#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1r27 h ASP 30 N 0.00 0.82 -0.88 0.55 3.32 -2.10 -2.61 116.42 115.52 1r27 h ASP 30 Ca 0.00 0.05 0.26 0.00 0.02 0.00 0.00 57.03 57.35 1r27 h ASP 30 Cb 0.00 -0.12 -0.04 0.00 0.22 0.00 0.00 39.33 39.40 1r27 h ASP 30 CO 0.00 0.46 0.89 4.11 -1.72 0.00 0.00 179.24 182.98 1r27 h TRP 31 N 0.92 0.00 0.00 4.55 5.08 -2.09 -0.17 115.95 124.23 1r27 h TRP 31 Ca 0.45 0.00 -0.00 0.00 1.08 0.00 0.00 58.89 60.41 1r27 h TRP 31 Cb 0.41 0.00 -0.00 0.00 -3.00 0.00 0.00 29.16 26.57 1r27 h TRP 31 CO -0.03 0.00 -0.02 0.93 -1.28 0.00 0.00 178.44 178.04 1r27 h GLU 32 N 0.00 0.00 0.00 0.12 5.08 -1.95 -2.67 114.58 115.16 1r27 h GLU 32 Ca 0.42 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.78 1r27 h GLU 32 Cb 2.20 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 31.45 1r27 h GLU 32 CO -0.00 0.02 -0.01 -0.44 -1.00 0.00 0.00 179.01 177.58 1r27 h ASP 33 N 0.00 0.00 0.08 1.42 3.32 -1.26 -3.14 116.42 116.84 1r27 h ASP 33 Ca -0.00 0.00 0.01 0.00 0.02 0.00 0.00 57.03 57.06 1r27 h ASP 33 Cb 0.09 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.62 1r27 h ASP 33 CO 0.00 0.01 -0.15 1.23 -1.72 0.00 0.00 179.24 178.61 1r27 h GLY 34 N 0.83 -0.26 1.67 2.75 0.00 -1.70 0.14 103.07 106.50 1r27 h GLY 34 Ca -0.00 0.17 -0.10 0.00 0.00 0.00 0.00 47.33 47.40 1r27 h GLY 34 CO 0.00 -0.15 -0.32 -0.97 0.00 0.00 0.00 176.54 175.10 1r27 h TYR 35 N -0.29 0.43 -0.84 5.60 0.05 -1.79 -2.38 116.97 117.75 1r27 h TYR 35 Ca 0.02 -0.10 -0.03 0.00 0.05 0.00 0.00 58.73 58.67 1r27 h TYR 35 Cb 0.31 -0.10 -0.04 0.00 1.01 0.00 0.00 36.73 37.91 1r27 h TYR 35 CO -0.16 0.66 0.42 0.00 -1.05 0.00 0.00 178.16 178.03 1r27 h ARG 36 N 0.33 1.20 -0.72 4.88 3.08 -1.46 -2.40 114.38 119.29 1r27 h ARG 36 Ca 0.04 -0.17 -0.05 0.00 0.07 0.00 0.00 59.98 59.87 1r27 h ARG 36 Cb 0.73 -0.22 -0.03 0.00 0.08 0.00 0.00 29.97 30.53 1r27 h ARG 36 CO 0.06 0.91 0.26 0.37 -1.07 0.00 0.00 179.97 180.50 1r27 h GLN 37 N 1.19 1.08 -0.57 0.04 4.15 -0.39 -2.65 115.11 117.96 1r27 h GLN 37 Ca 0.29 -0.20 -0.01 0.00 0.77 0.00 0.00 58.65 59.50 1r27 h GLN 37 Cb 0.10 -0.17 -0.03 0.00 0.21 0.00 0.00 27.48 27.59 1r27 h GLN 37 CO -0.04 0.90 0.31 -0.09 -1.93 0.00 0.00 178.83 177.98 1r27 h ARG 38 N 1.05 0.79 -0.65 1.69 9.65 -0.94 -3.07 114.38 122.91 1r27 h ARG 38 Ca 0.24 -0.09 -0.09 0.00 -1.10 0.00 0.00 59.98 58.94 1r27 h ARG 38 Cb 0.24 -0.16 -0.02 0.00 -1.39 0.00 0.00 29.97 28.64 1r27 h ARG 38 CO -0.02 0.61 0.07 2.35 2.80 0.00 0.00 179.97 185.78 1r27 h TRP 39 N 0.77 1.17 -3.34 2.20 2.91 -1.22 -3.44 115.95 115.00 1r27 h TRP 39 Ca 0.20 -0.17 -0.57 0.00 1.13 0.00 0.00 58.89 59.48 1r27 h TRP 39 Cb 0.04 -0.32 0.13 0.00 -0.51 0.00 0.00 29.16 28.50 1r27 h TRP 39 CO -0.01 1.00 0.37 1.04 -1.03 0.00 0.00 178.44 179.80 1r27 n GLN 40 N -4.20 1.70 -4.12 2.65 6.02 -1.02 -5.00 117.38 113.42 1r27 n GLN 40 Ca 0.04 0.61 -0.14 0.00 -0.01 0.00 0.00 57.00 57.49 1r27 n GLN 40 Cb 0.31 -2.25 -0.05 0.00 1.02 0.00 0.00 30.24 29.27 1r27 n GLN 40 CO 0.00 0.00 0.00 -3.38 -1.01 0.00 0.00 177.06 172.67 1r27 s HIS 41 N -1.22 1.09 -0.11 1.08 -3.43 -1.26 -5.00 115.29 106.45 1r27 s HIS 41 Ca 0.62 -1.29 0.00 0.00 -0.80 0.00 0.00 55.06 53.59 1r27 s HIS 41 Cb -0.53 -0.18 -0.25 0.00 -1.43 0.00 0.00 32.58 30.19 1r27 s HIS 41 CO 0.58 -1.04 0.42 -0.25 -2.00 0.00 0.00 174.74 172.44 1r27 n ASP 42 N -1.21 1.68 -3.62 7.38 8.00 -0.03 -5.01 116.55 123.73 1r27 n ASP 42 Ca 0.02 0.25 -0.04 0.00 0.71 0.00 0.00 54.79 55.72 1r27 n ASP 42 Cb 0.62 -0.54 -0.02 0.00 -0.02 0.00 0.00 41.12 41.16 1r27 n ASP 42 CO 0.00 0.00 0.00 -1.59 -0.39 0.00 0.00 177.20 175.22 1r27 s LYS 43 N -2.57 0.77 -0.05 -1.24 -2.85 -1.07 -5.01 119.74 107.73 1r27 s LYS 43 Ca -0.17 -0.37 0.04 0.00 -1.00 0.00 0.00 55.97 54.47 1r27 s LYS 43 Cb 0.07 0.30 0.00 0.00 -2.06 0.00 0.00 37.83 36.14 1r27 s LYS 43 CO 0.78 -0.35 -0.16 0.42 0.10 0.00 0.00 175.35 176.15 1r27 s ILE 44 N -2.92 1.32 0.08 3.79 1.01 -1.26 -0.78 121.20 122.44 1r27 s ILE 44 Ca 0.10 -0.64 0.08 0.00 0.00 0.00 0.00 60.65 60.19 1r27 s ILE 44 Cb -0.00 -1.15 -0.03 0.00 0.01 0.00 0.00 42.46 41.29 1r27 s ILE 44 CO -0.04 0.39 -0.22 -0.69 0.00 0.00 0.00 174.94 174.38 1r27 s VAL 45 N 0.18 1.81 -0.07 2.92 1.01 -0.37 -4.89 120.40 121.00 1r27 s VAL 45 Ca -0.06 -1.46 -0.19 0.00 0.00 0.00 0.00 61.98 60.27 1r27 s VAL 45 Cb -0.12 -1.61 -0.05 0.00 0.00 0.00 0.00 36.38 34.60 1r27 s VAL 45 CO 0.02 0.08 0.52 -0.60 0.00 0.00 0.00 175.10 175.12 1r27 s ARG 46 N -1.65 4.29 0.30 2.72 3.52 -1.26 0.19 118.95 127.04 1r27 s ARG 46 Ca 0.08 0.55 -0.14 0.00 -0.13 0.00 0.00 55.73 56.09 1r27 s ARG 46 Cb -0.10 -3.38 0.01 0.00 -1.56 0.00 0.00 34.95 29.93 1r27 s ARG 46 CO 0.04 0.28 0.60 0.45 -0.81 0.00 0.00 175.30 175.86 1r27 s SER 47 N 0.17 0.02 0.00 -2.12 0.15 -0.88 -3.61 113.70 107.43 1r27 s SER 47 Ca 0.28 -0.96 0.00 0.00 0.70 0.00 0.00 55.95 55.97 1r27 s SER 47 Cb -0.16 0.69 0.00 0.00 -1.71 0.00 0.00 66.02 64.83 1r27 s SER 47 CO 0.13 -1.32 0.00 1.07 1.20 0.00 0.00 173.24 174.32 1r27 n THR 48 N -0.46 0.00 -4.69 6.45 5.66 -1.12 -0.04 114.28 120.08 1r27 n THR 48 Ca -0.03 0.00 -0.33 0.00 -3.05 0.00 0.00 64.05 60.64 1r27 n THR 48 Cb 0.61 0.00 -0.15 0.00 -1.55 0.00 0.00 70.33 69.24 1r27 n THR 48 CO 0.00 0.00 0.00 -1.00 -3.05 0.00 0.00 175.07 171.02 1r27 s HIS 49 N -1.78 2.79 -0.95 1.09 3.76 -1.26 -4.78 115.29 114.16 1r27 s HIS 49 Ca 0.00 -0.83 -0.05 0.00 -0.15 0.00 0.00 55.06 54.03 1r27 s HIS 49 Cb 0.00 -1.86 0.09 0.00 1.11 0.00 0.00 32.58 31.92 1r27 s HIS 49 CO 0.00 -0.34 2.57 0.41 -0.85 0.00 0.00 174.74 176.54 1r27 n GLY 50 N 3.77 4.82 3.40 -2.22 0.00 -1.26 -4.84 105.19 108.87 1r27 n GLY 50 Ca -0.19 -1.97 -0.26 0.00 0.00 0.00 0.00 46.02 43.61 1r27 n GLY 50 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1r27 s VAL 51 N -1.53 2.25 -1.31 1.61 0.11 -1.26 -4.88 120.40 115.39 1r27 s VAL 51 Ca 0.56 -1.99 -0.14 0.00 -2.93 0.00 0.00 61.98 57.48 1r27 s VAL 51 Cb 0.27 -2.06 0.11 0.00 -1.53 0.00 0.00 36.38 33.17 1r27 s VAL 51 CO -0.14 -0.14 1.79 -3.20 -3.33 0.00 0.00 175.10 170.08 1r27 n ASN 52 N 0.32 4.81 -0.00 3.54 5.15 -1.26 -4.48 115.26 123.34 1r27 n ASN 52 Ca -0.13 -2.95 0.00 0.00 -0.60 0.00 0.00 54.58 50.90 1r27 n ASN 52 Cb 0.56 -1.63 -0.02 0.00 -0.53 0.00 0.00 39.78 38.16 1r27 n ASN 52 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1r27 n THR 54 N -1.73 0.00 0.12 0.00 -2.24 -1.26 -4.78 114.28 104.38 1r27 n THR 54 Ca -0.01 0.00 -0.13 0.00 -2.27 0.00 0.00 64.05 61.64 1r27 n THR 54 Cb 0.22 0.00 -0.06 0.00 -2.10 0.00 0.00 70.33 68.39 1r27 n THR 54 CO 0.00 0.00 0.00 1.23 -0.57 0.00 0.00 175.07 175.73 1r27 h GLY 55 N 0.00 -0.41 -6.24 3.38 0.00 -1.95 -3.42 103.07 94.43 1r27 h GLY 55 Ca 0.00 0.25 -0.44 0.00 0.00 0.00 0.00 47.33 47.14 1r27 h GLY 55 CO 0.00 -0.20 -0.94 -1.26 0.00 0.00 0.00 176.54 174.15 1r27 n SER 56 N -5.34 -5.01 -4.74 0.19 2.88 -1.26 -4.95 113.62 95.39 1r27 n SER 56 Ca -0.07 -1.02 -0.35 0.00 -1.33 0.00 0.00 58.87 56.10 1r27 n SER 56 Cb 0.25 -3.35 -0.08 0.00 -0.75 0.00 0.00 64.21 60.27 1r27 n SER 56 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1r27 s SER 58 N -0.42 6.84 0.24 0.00 0.15 -1.26 -4.19 113.70 115.05 1r27 s SER 58 Ca 0.10 1.00 0.10 0.00 0.70 0.00 0.00 55.95 57.85 1r27 s SER 58 Cb -0.12 -2.32 -0.05 0.00 -1.71 0.00 0.00 66.02 61.82 1r27 s SER 58 CO 0.02 0.08 -0.18 0.26 1.20 0.00 0.00 173.24 174.62 1r27 s TRP 59 N 0.06 2.03 -0.33 3.44 0.52 0.94 -1.21 118.94 124.40 1r27 s TRP 59 Ca 0.28 -0.44 -0.13 0.00 0.02 0.00 0.00 56.10 55.83 1r27 s TRP 59 Cb -0.17 -0.92 -0.02 0.00 -1.15 0.00 0.00 33.47 31.21 1r27 s TRP 59 CO 0.14 0.54 0.28 0.15 0.02 0.00 0.00 176.95 178.08 1r27 s LYS 60 N -3.45 3.62 -0.34 4.98 1.02 0.81 -2.08 119.74 124.30 1r27 s LYS 60 Ca 0.25 -0.48 -0.15 0.00 0.02 0.00 0.00 55.97 55.62 1r27 s LYS 60 Cb -0.04 -3.78 -0.02 0.00 -0.52 0.00 0.00 37.83 33.48 1r27 s LYS 60 CO 0.11 -0.42 0.34 0.42 -0.92 0.00 0.00 175.35 174.88 1r27 s ILE 61 N 1.84 5.19 -0.11 2.17 -1.09 0.13 -2.41 121.20 126.92 1r27 s ILE 61 Ca 0.09 0.04 -0.23 0.00 -2.23 0.00 0.00 60.65 58.31 1r27 s ILE 61 Cb -0.17 -3.79 -0.03 0.00 -1.58 0.00 0.00 42.46 36.89 1r27 s ILE 61 CO 0.11 -0.06 0.70 -0.31 -1.23 0.00 0.00 174.94 174.15 1r27 s TYR 62 N 1.97 3.51 -0.11 3.97 2.02 -0.55 -1.23 117.35 126.94 1r27 s TYR 62 Ca 0.11 1.18 0.00 0.00 -0.37 0.00 0.00 57.07 57.99 1r27 s TYR 62 Cb -0.17 -2.83 -0.02 0.00 -0.40 0.00 0.00 41.96 38.54 1r27 s TYR 62 CO 0.11 -0.01 -0.11 0.08 -1.57 0.00 0.00 175.55 174.05 1r27 s VAL 63 N 1.21 3.27 -0.05 0.71 1.01 0.04 -1.48 120.40 125.11 1r27 s VAL 63 Ca 0.36 -0.61 -0.02 0.00 0.00 0.00 0.00 61.98 61.71 1r27 s VAL 63 Cb -0.17 -2.36 0.04 0.00 0.00 0.00 0.00 36.38 33.89 1r27 s VAL 63 CO 0.16 0.54 0.09 -0.75 0.00 0.00 0.00 175.10 175.14 1r27 s LYS 64 N -0.05 -0.02 -1.47 2.72 2.20 0.49 -0.85 119.74 122.75 1r27 s LYS 64 Ca -0.02 0.40 -0.07 0.00 -0.36 0.00 0.00 55.97 55.92 1r27 s LYS 64 Cb -0.14 -0.35 0.02 0.00 -1.51 0.00 0.00 37.83 35.85 1r27 s LYS 64 CO 0.04 -0.28 0.84 0.09 -0.36 0.00 0.00 175.35 175.68 1r27 n ASN 65 N 4.98 -5.95 0.00 1.43 5.03 -1.26 -1.90 115.26 117.59 1r27 n ASN 65 Ca -0.11 -0.43 0.00 0.00 0.87 0.00 0.00 54.58 54.91 1r27 n ASN 65 Cb 0.50 -4.76 0.00 0.00 -1.02 0.00 0.00 39.78 34.50 1r27 n ASN 65 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1r27 n GLY 66 N -1.69 0.79 3.28 7.41 0.00 -1.26 -5.02 105.19 108.70 1r27 n GLY 66 Ca -0.05 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.73 1r27 n GLY 66 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1r27 s LEU 67 N 0.00 2.28 0.02 0.99 1.43 -0.80 -4.97 118.68 117.64 1r27 s LEU 67 Ca 0.00 -0.66 -0.30 0.00 -1.03 0.00 0.00 54.13 52.13 1r27 s LEU 67 Cb 0.00 -0.91 -0.05 0.00 0.03 0.00 0.00 46.19 45.26 1r27 s LEU 67 CO 0.00 0.08 1.17 -0.69 0.23 0.00 0.00 176.35 177.14 1r27 s VAL 68 N -1.10 4.19 -0.12 -1.59 1.01 -1.26 -0.38 120.40 121.15 1r27 s VAL 68 Ca 0.07 1.56 0.07 0.00 0.00 0.00 0.00 61.98 63.68 1r27 s VAL 68 Cb -0.10 -4.00 -0.13 0.00 0.00 0.00 0.00 36.38 32.16 1r27 s VAL 68 CO 0.04 0.09 -0.02 0.35 0.00 0.00 0.00 175.10 175.56 1r27 n THR 69 N 4.12 0.80 -3.86 3.92 -2.24 -0.55 -4.93 114.28 111.53 1r27 n THR 69 Ca 0.09 -0.43 0.00 0.00 -2.27 0.00 0.00 64.05 61.45 1r27 n THR 69 Cb 0.47 -0.80 0.01 0.00 -2.10 0.00 0.00 70.33 67.91 1r27 n THR 69 CO 0.00 0.00 0.00 -1.66 -0.57 0.00 0.00 175.07 172.84 1r27 s TRP 70 N -2.28 0.01 0.01 4.78 -2.14 -1.25 -5.02 118.94 113.06 1r27 s TRP 70 Ca -0.10 -0.22 -0.04 0.00 2.66 0.00 0.00 56.10 58.40 1r27 s TRP 70 Cb 0.04 0.60 -0.01 0.00 -3.10 0.00 0.00 33.47 31.00 1r27 s TRP 70 CO 0.42 -0.50 0.06 -1.83 -2.66 0.00 0.00 176.95 172.45 1r27 s GLU 71 N -2.25 0.43 0.05 3.25 1.03 -1.26 -1.48 118.70 118.47 1r27 s GLU 71 Ca 0.23 -0.53 0.01 0.00 0.03 0.00 0.00 54.97 54.71 1r27 s GLU 71 Cb 0.00 0.17 -0.03 0.00 -0.80 0.00 0.00 34.13 33.47 1r27 s GLU 71 CO 0.00 -0.09 -0.05 0.95 -1.33 0.00 0.00 175.26 174.74 1r27 s THR 72 N -1.56 0.39 0.51 1.83 -4.23 -1.01 -4.97 115.64 106.59 1r27 s THR 72 Ca -0.14 -1.31 -0.22 0.00 -1.18 0.00 0.00 61.69 58.84 1r27 s THR 72 Cb -0.08 -0.86 -0.06 0.00 1.34 0.00 0.00 72.50 72.84 1r27 s THR 72 CO -0.00 -0.61 1.23 -1.10 -0.54 0.00 0.00 174.62 173.60 1r27 s GLN 73 N -2.36 3.45 0.38 3.99 1.11 -1.26 -0.13 119.66 124.84 1r27 s GLN 73 Ca -0.05 1.92 -0.24 0.00 0.01 0.00 0.00 55.36 57.00 1r27 s GLN 73 Cb -0.04 -2.28 -0.10 0.00 -1.01 0.00 0.00 33.01 29.57 1r27 s GLN 73 CO -0.03 -0.84 0.96 -0.65 0.01 0.00 0.00 175.29 174.74 1r27 s GLN 74 N -2.87 4.38 0.00 2.91 -1.52 -0.35 -4.64 119.66 117.58 1r27 s GLN 74 Ca 0.68 1.26 0.00 0.00 -1.95 0.00 0.00 55.36 55.35 1r27 s GLN 74 Cb -0.32 -2.50 0.00 0.00 -0.22 0.00 0.00 33.01 29.97 1r27 s GLN 74 CO 0.38 0.10 0.78 0.25 -0.25 0.00 0.00 175.29 176.55 1r27 n THR 75 N -0.03 0.60 -0.17 -0.19 -2.24 -1.26 -4.79 114.28 106.20 1r27 n THR 75 Ca 0.04 -0.72 -0.12 0.00 -2.27 0.00 0.00 64.05 60.98 1r27 n THR 75 Cb 0.52 0.75 0.10 0.00 -2.10 0.00 0.00 70.33 69.59 1r27 n THR 75 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 1r27 n ASP 76 N -0.30 3.39 -4.76 3.42 5.75 -1.26 -4.78 116.55 118.01 1r27 n ASP 76 Ca 0.00 -2.84 -0.36 0.00 -0.01 0.00 0.00 54.79 51.58 1r27 n ASP 76 Cb 0.21 -0.68 0.02 0.00 -1.03 0.00 0.00 41.12 39.65 1r27 n ASP 76 CO 0.00 0.00 0.00 -0.31 -0.11 0.00 0.00 177.20 176.78 1r27 s TYR 77 N -1.73 2.49 0.28 2.11 2.02 -1.26 -4.72 117.35 116.54 1r27 s TYR 77 Ca 0.30 1.52 -0.30 0.00 -0.37 0.00 0.00 57.07 58.21 1r27 s TYR 77 Cb 0.25 -3.44 -0.12 0.00 -0.40 0.00 0.00 41.96 38.26 1r27 s TYR 77 CO 0.06 -2.03 1.63 -2.30 -1.57 0.00 0.00 175.55 171.34 1r27 n PRO 78 N -1.42 2.76 -2.24 -1.71 -0.02 -1.26 -4.92 135.00 126.18 1r27 n PRO 78 Ca 0.13 0.98 -0.34 0.00 -2.02 0.00 0.00 63.50 62.24 1r27 n PRO 78 Cb 0.50 -2.79 0.00 0.00 -0.02 0.00 0.00 33.50 31.19 1r27 n PRO 78 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 1r27 s ARG 79 N -0.20 3.38 0.83 -0.52 0.52 -1.26 -4.86 118.95 116.83 1r27 s ARG 79 Ca 0.66 1.51 -0.09 0.00 -0.52 0.00 0.00 55.73 57.28 1r27 s ARG 79 Cb -0.49 -2.02 0.14 0.00 0.52 0.00 0.00 34.95 33.10 1r27 s ARG 79 CO 0.45 -0.81 1.15 0.95 0.02 0.00 0.00 175.30 177.07 1r27 s THR 80 N -1.93 2.10 0.60 0.02 -4.23 -1.26 -5.01 115.64 105.93 1r27 s THR 80 Ca 0.70 -0.22 -0.18 0.00 -1.18 0.00 0.00 61.69 60.81 1r27 s THR 80 Cb -0.21 -2.87 -0.09 0.00 1.34 0.00 0.00 72.50 70.67 1r27 s THR 80 CO 0.28 0.00 0.44 0.54 -0.54 0.00 0.00 174.62 175.33 1r27 n ARG 81 N -3.29 0.41 0.17 3.99 1.74 -1.26 -4.82 116.66 113.60 1r27 n ARG 81 Ca 0.13 0.17 0.18 0.00 -0.77 0.00 0.00 57.85 57.56 1r27 n ARG 81 Cb 0.60 -1.64 0.80 0.00 -1.02 0.00 0.00 32.46 31.20 1r27 n ARG 81 CO 0.00 0.00 0.00 -1.35 -1.52 0.00 0.00 177.63 174.76 1r27 h PRO 82 N 0.09 0.00 -0.10 5.56 0.11 -1.97 -1.29 132.00 134.39 1r27 h PRO 82 Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 1r27 h PRO 82 Cb 1.39 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.50 1r27 h PRO 82 CO 0.45 0.00 0.00 -0.40 -0.21 0.00 0.00 178.00 177.84 1r27 n ASP 83 N -3.80 1.22 -4.30 -2.05 5.75 -1.26 -4.87 116.55 107.24 1r27 n ASP 83 Ca 0.03 -1.59 -0.24 0.00 -0.01 0.00 0.00 54.79 52.99 1r27 n ASP 83 Cb 0.40 -0.06 -0.12 0.00 -1.03 0.00 0.00 41.12 40.30 1r27 n ASP 83 CO 0.00 0.00 0.00 -0.76 -0.11 0.00 0.00 177.20 176.33 1r27 s LEU 84 N -1.65 2.34 0.67 -2.12 1.43 -0.49 -5.10 118.68 113.76 1r27 s LEU 84 Ca 0.33 -0.73 -0.15 0.00 -1.03 0.00 0.00 54.13 52.55 1r27 s LEU 84 Cb 0.17 -0.89 0.01 0.00 0.03 0.00 0.00 46.19 45.51 1r27 s LEU 84 CO 0.27 0.04 1.11 -2.84 0.23 0.00 0.00 176.35 175.16 1r27 s PRO 85 N -2.14 2.72 0.67 1.29 0.02 -1.26 -4.71 135.00 131.58 1r27 s PRO 85 Ca 0.09 1.39 -0.05 0.00 0.02 0.00 0.00 61.00 62.44 1r27 s PRO 85 Cb -0.09 -1.94 0.05 0.00 0.02 0.00 0.00 34.50 32.54 1r27 s PRO 85 CO 0.05 -1.32 0.97 -0.80 -0.33 0.00 0.00 177.00 175.57 1r27 s ASN 86 N -2.64 4.95 0.17 2.53 0.01 -1.26 -4.73 114.94 113.97 1r27 s ASN 86 Ca 0.67 0.42 0.07 0.00 -0.71 0.00 0.00 52.86 53.30 1r27 s ASN 86 Cb -0.21 -1.13 -0.03 0.00 0.41 0.00 0.00 41.25 40.29 1r27 s ASN 86 CO 0.43 -1.49 1.38 0.45 -1.51 0.00 0.00 177.10 176.36 1r27 h HIS 87 N -0.47 0.07 -3.72 2.20 3.86 -1.94 -3.47 115.15 111.68 1r27 h HIS 87 Ca -0.44 -0.04 -0.56 0.00 -1.16 0.00 0.00 60.37 58.16 1r27 h HIS 87 Cb 1.31 -0.01 0.15 0.00 1.06 0.00 0.00 27.41 29.92 1r27 h HIS 87 CO 0.35 0.91 0.39 -0.85 0.86 0.00 0.00 177.93 179.59 1r27 n GLU 88 N -3.53 1.41 0.00 2.45 -0.00 -1.26 -2.90 120.64 116.81 1r27 n GLU 88 Ca -0.01 0.52 0.12 0.00 -0.00 0.00 0.00 57.16 57.79 1r27 n GLU 88 Cb 0.84 -2.36 0.17 0.00 -0.00 0.00 0.00 31.44 30.08 1r27 n GLU 88 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.13 176.78 1r27 n PRO 89 N -0.80 0.53 0.00 3.44 -0.04 -1.26 -5.13 135.00 131.73 1r27 n PRO 89 Ca 0.11 -0.37 0.00 0.00 -0.04 0.00 0.00 63.50 63.20 1r27 n PRO 89 Cb 0.44 -1.49 0.00 0.00 -0.04 0.00 0.00 33.50 32.41 1r27 n PRO 89 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1r27 n ARG 90 N -0.91 0.00 0.00 0.54 1.74 -1.14 -4.57 116.66 112.32 1r27 n ARG 90 Ca 0.08 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.16 1r27 n ARG 90 Cb 0.37 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.81 1r27 n ARG 90 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1r27 n GLY 91 N 0.00 -0.30 3.64 -0.13 0.00 -1.26 -4.94 105.19 102.21 1r27 n GLY 91 Ca 0.00 -1.86 -0.04 0.00 0.00 0.00 0.00 46.02 44.12 1r27 n GLY 91 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1r27 h PRO 93 N 2.00 0.85 0.43 0.00 0.13 -1.99 -1.71 132.00 131.71 1r27 h PRO 93 Ca -0.23 -0.05 -0.02 0.00 -0.87 0.00 0.00 66.00 64.83 1r27 h PRO 93 Cb 1.22 -0.19 0.00 0.00 0.13 0.00 0.00 31.00 32.17 1r27 h PRO 93 CO 0.27 0.56 -0.21 0.00 -0.23 0.00 0.00 178.00 178.40 1r27 h ARG 94 N 0.88 -0.55 -0.97 0.86 -0.00 -1.97 -2.96 114.38 109.66 1r27 h ARG 94 Ca 0.25 0.04 0.16 0.00 -0.50 0.00 0.00 59.98 59.93 1r27 h ARG 94 Cb -0.05 0.13 -0.09 0.00 0.00 0.00 0.00 29.97 29.96 1r27 h ARG 94 CO -0.06 -0.27 0.61 0.78 0.00 0.00 0.00 179.97 181.03 1r27 h GLY 95 N -0.79 1.54 2.00 0.04 0.00 -1.93 0.16 103.07 104.09 1r27 h GLY 95 Ca -0.06 -0.36 0.00 0.00 0.00 0.00 0.00 47.33 46.91 1r27 h GLY 95 CO 0.10 0.06 0.00 0.00 0.00 0.00 0.00 176.54 176.69 1r27 h ALA 96 N 1.59 1.00 -0.14 3.60 0.00 -1.16 -2.34 119.26 121.82 1r27 h ALA 96 Ca 0.51 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.42 1r27 h ALA 96 Cb 0.73 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.52 1r27 h ALA 96 CO -0.28 0.00 0.00 -1.13 0.00 0.00 0.00 179.25 177.84 1r27 n SER 97 N -3.04 3.00 -0.31 0.00 3.41 0.54 -4.59 113.62 112.63 1r27 n SER 97 Ca -0.02 -1.93 0.06 0.00 -0.26 0.00 0.00 58.87 56.71 1r27 n SER 97 Cb 0.12 -0.08 0.21 0.00 -0.26 0.00 0.00 64.21 64.20 1r27 n SER 97 CO 0.00 0.00 0.00 0.22 -0.16 0.00 0.00 175.04 175.10 1r27 h TYR 98 N 4.28 0.90 -1.04 7.33 3.20 -1.32 -1.86 116.97 128.45 1r27 h TYR 98 Ca 0.00 0.03 0.30 0.00 3.14 0.00 0.00 58.73 62.20 1r27 h TYR 98 Cb 0.93 -0.27 -0.04 0.00 1.54 0.00 0.00 36.73 38.88 1r27 h TYR 98 CO 0.08 0.31 0.78 0.66 -1.64 0.00 0.00 178.16 178.35 1r27 h SER 99 N 0.78 0.00 -0.78 -2.11 4.64 -1.82 0.04 113.55 114.30 1r27 h SER 99 Ca 0.45 0.00 0.12 0.00 -0.47 0.00 0.00 61.79 61.89 1r27 h SER 99 Cb 0.51 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 62.54 1r27 h SER 99 CO -0.29 0.00 0.51 -0.25 -0.87 0.00 0.00 176.83 175.93 1r27 h TRP 100 N 0.00 0.65 -0.32 4.77 7.01 -1.69 -2.66 115.95 123.72 1r27 h TRP 100 Ca 0.49 0.02 -0.07 0.00 2.11 0.00 0.00 58.89 61.44 1r27 h TRP 100 Cb 2.04 -0.21 -0.02 0.00 -2.10 0.00 0.00 29.16 28.87 1r27 h TRP 100 CO 0.00 0.28 -0.09 1.88 -2.79 0.00 0.00 178.44 177.72 1r27 h TYR 101 N 0.59 0.56 -0.72 2.65 0.05 -1.17 -3.17 116.97 115.75 1r27 h TYR 101 Ca 0.37 -0.08 0.16 0.00 0.05 0.00 0.00 58.73 59.23 1r27 h TYR 101 Cb 0.64 -0.15 -0.11 0.00 1.01 0.00 0.00 36.73 38.11 1r27 h TYR 101 CO -0.00 0.60 0.13 -0.07 -1.05 0.00 0.00 178.16 177.77 1r27 h LEU 102 N 0.49 -0.07 -2.93 3.88 4.07 -1.62 -3.01 115.31 116.12 1r27 h LEU 102 Ca 0.09 0.15 -0.03 0.00 0.08 0.00 0.00 57.88 58.18 1r27 h LEU 102 Cb 0.45 0.23 -0.06 0.00 1.08 0.00 0.00 40.66 42.36 1r27 h LEU 102 CO 0.02 -0.07 -0.47 -1.22 -1.08 0.00 0.00 178.44 175.63 1r27 n TYR 103 N -5.20 0.00 -1.55 1.13 4.01 -1.25 -4.95 117.16 109.35 1r27 n TYR 103 Ca 0.13 -1.11 -0.30 0.00 -0.16 0.00 0.00 57.90 56.47 1r27 n TYR 103 Cb 0.45 -0.20 0.11 0.00 -0.31 0.00 0.00 39.34 39.39 1r27 n TYR 103 CO 0.00 0.00 0.00 -1.54 -0.46 0.00 0.00 176.86 174.86 1r27 s SER 104 N -2.79 4.14 0.14 7.72 1.04 -1.14 -4.94 113.70 117.88 1r27 s SER 104 Ca 0.33 1.18 0.17 0.00 0.48 0.00 0.00 55.95 58.11 1r27 s SER 104 Cb 0.32 -1.86 0.74 0.00 0.10 0.00 0.00 66.02 65.32 1r27 s SER 104 CO -0.06 -2.18 1.51 0.00 0.98 0.00 0.00 173.24 173.50 1r27 n ALA 105 N -3.55 1.46 -0.21 5.32 0.00 -1.26 -2.24 120.51 120.03 1r27 n ALA 105 Ca 0.07 0.05 0.09 0.00 0.00 0.00 0.00 53.44 53.64 1r27 n ALA 105 Cb 0.57 -1.27 0.23 0.00 0.00 0.00 0.00 19.45 18.99 1r27 n ALA 105 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 1r27 n ASN 106 N -1.89 3.39 -4.76 0.00 4.05 -1.26 -5.00 115.26 109.80 1r27 n ASN 106 Ca 0.02 -1.98 -0.41 0.00 0.45 0.00 0.00 54.58 52.66 1r27 n ASN 106 Cb 0.14 -0.34 -0.03 0.00 1.23 0.00 0.00 39.78 40.78 1r27 n ASN 106 CO 0.00 0.00 0.00 -0.60 -3.05 0.00 0.00 177.26 173.61 1r27 s ARG 107 N -1.03 4.46 -0.25 1.20 6.06 -0.95 -2.13 118.95 126.31 1r27 s ARG 107 Ca 0.35 2.03 -0.21 0.00 -2.50 0.00 0.00 55.73 55.40 1r27 s ARG 107 Cb 0.19 -3.15 -0.02 0.00 0.06 0.00 0.00 34.95 32.03 1r27 s ARG 107 CO 0.25 -0.08 0.68 -0.51 -2.50 0.00 0.00 175.30 173.13 1r27 s LEU 108 N -1.12 4.07 -0.12 -0.88 1.43 -0.54 -4.87 118.68 116.64 1r27 s LEU 108 Ca 0.50 0.79 0.13 0.00 -1.03 0.00 0.00 54.13 54.52 1r27 s LEU 108 Cb -0.36 -2.94 -0.19 0.00 0.03 0.00 0.00 46.19 42.74 1r27 s LEU 108 CO 0.44 -0.41 0.10 0.29 0.23 0.00 0.00 176.35 177.00 1r27 n LYS 109 N 5.78 1.47 -4.13 1.70 5.02 -1.26 -4.72 118.16 122.03 1r27 n LYS 109 Ca 0.01 -0.03 -0.10 0.00 -2.02 0.00 0.00 58.31 56.17 1r27 n LYS 109 Cb 0.49 -1.37 -0.10 0.00 -0.02 0.00 0.00 35.03 34.03 1r27 n LYS 109 CO 0.00 0.00 0.00 0.71 -0.52 0.00 0.00 177.40 177.59 1r27 s TYR 110 N -2.46 0.74 0.33 2.13 2.02 -1.26 -1.50 117.35 117.34 1r27 s TYR 110 Ca -0.07 -0.87 -0.29 0.00 -0.37 0.00 0.00 57.07 55.47 1r27 s TYR 110 Cb 0.05 -0.45 -0.11 0.00 -0.40 0.00 0.00 41.96 41.05 1r27 s TYR 110 CO 0.60 -0.20 1.40 -2.14 -1.57 0.00 0.00 175.55 173.64 1r27 s PRO 111 N -3.41 4.25 0.12 -1.71 0.02 -1.26 -4.44 135.00 128.57 1r27 s PRO 111 Ca 0.06 2.37 0.08 0.00 0.02 0.00 0.00 61.00 63.53 1r27 s PRO 111 Cb 0.03 -3.04 -0.04 0.00 0.02 0.00 0.00 34.50 31.47 1r27 s PRO 111 CO -0.05 -0.36 -0.19 -1.64 -0.33 0.00 0.00 177.00 174.43 1r27 s MET 112 N -1.63 1.12 -0.00 5.54 -1.94 0.05 -0.89 119.30 121.55 1r27 s MET 112 Ca 0.52 -1.22 -0.04 0.00 -1.71 0.00 0.00 55.69 53.25 1r27 s MET 112 Cb -0.43 -1.27 -0.00 0.00 2.01 0.00 0.00 34.83 35.14 1r27 s MET 112 CO 0.55 0.28 0.08 1.41 -0.01 0.00 0.00 175.02 177.33 1r27 s MET 113 N -2.20 0.34 0.25 2.03 1.75 -0.21 -1.28 119.30 119.99 1r27 s MET 113 Ca 0.08 -0.33 -0.30 0.00 -1.25 0.00 0.00 55.69 53.89 1r27 s MET 113 Cb -0.08 0.14 -0.11 0.00 2.84 0.00 0.00 34.83 37.62 1r27 s MET 113 CO 0.05 -0.07 1.55 0.50 -0.65 0.00 0.00 175.02 176.39 1r27 s ARG 114 N -1.06 4.18 0.15 4.11 6.06 -0.68 -0.68 118.95 131.04 1r27 s ARG 114 Ca -0.12 2.46 -0.20 0.00 -2.50 0.00 0.00 55.73 55.37 1r27 s ARG 114 Cb -0.07 -3.08 0.05 0.00 0.06 0.00 0.00 34.95 31.92 1r27 s ARG 114 CO 0.00 -0.57 1.65 -0.22 -2.50 0.00 0.00 175.30 173.66 1r27 h LYS 115 N 5.37 -0.14 -0.94 5.12 3.64 -0.92 0.16 116.57 128.86 1r27 h LYS 115 Ca -0.46 0.01 0.05 0.00 -1.27 0.00 0.00 60.65 58.99 1r27 h LYS 115 Cb 1.22 0.03 -0.06 0.00 -0.41 0.00 0.00 32.23 33.01 1r27 h LYS 115 CO 0.82 -0.10 0.62 -0.09 -2.27 0.00 0.00 179.45 178.43 1r27 h ARG 116 N -0.15 1.10 -0.44 1.90 9.65 -1.90 -0.33 114.38 124.21 1r27 h ARG 116 Ca 0.15 -0.07 -0.10 0.00 -1.10 0.00 0.00 59.98 58.87 1r27 h ARG 116 Cb 0.38 -0.25 -0.01 0.00 -1.39 0.00 0.00 29.97 28.70 1r27 h ARG 116 CO -0.38 0.73 -0.12 1.25 2.80 0.00 0.00 179.97 184.25 1r27 h LEU 117 N 1.13 0.86 -0.50 3.80 5.85 -1.70 -2.49 115.31 122.26 1r27 h LEU 117 Ca 0.39 -0.37 -0.01 0.00 0.84 0.00 0.00 57.88 58.73 1r27 h LEU 117 Cb 0.11 -0.23 -0.02 0.00 0.37 0.00 0.00 40.66 40.88 1r27 h LEU 117 CO -0.14 1.03 0.27 -0.03 -0.34 0.00 0.00 178.44 179.22 1r27 h MET 118 N 0.68 0.70 0.22 1.25 4.05 -0.15 0.60 114.93 122.27 1r27 h MET 118 Ca 0.11 -0.09 0.01 0.00 -0.28 0.00 0.00 59.70 59.45 1r27 h MET 118 Cb 0.66 -0.13 -0.03 0.00 -0.80 0.00 0.00 31.60 31.30 1r27 h MET 118 CO 0.05 0.56 -0.28 -0.22 0.23 0.00 0.00 176.91 177.24 1r27 h LYS 119 N 0.66 -0.53 -0.19 0.39 3.64 -1.00 0.90 116.57 120.44 1r27 h LYS 119 Ca 0.17 0.04 -0.05 0.00 -1.27 0.00 0.00 60.65 59.54 1r27 h LYS 119 Cb 0.07 0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 31.99 1r27 h LYS 119 CO -0.03 -0.35 -0.13 0.52 -2.27 0.00 0.00 179.45 177.19 1r27 h MET 120 N -0.55 0.31 -0.19 1.90 2.86 -1.34 -0.91 114.93 117.01 1r27 h MET 120 Ca 0.01 -0.07 -0.05 0.00 -2.06 0.00 0.00 59.70 57.52 1r27 h MET 120 Cb 0.53 -0.04 -0.01 0.00 0.06 0.00 0.00 31.60 32.15 1r27 h MET 120 CO -0.10 0.44 -0.08 2.35 1.06 0.00 0.00 176.91 180.58 1r27 h TRP 121 N 0.29 0.44 -0.27 -0.22 2.91 -0.41 -0.59 115.95 118.11 1r27 h TRP 121 Ca 0.06 -0.11 -0.10 0.00 1.13 0.00 0.00 58.89 59.87 1r27 h TRP 121 Cb 0.41 -0.10 -0.01 0.00 -0.51 0.00 0.00 29.16 28.94 1r27 h TRP 121 CO 0.01 0.68 -0.28 0.00 -1.03 0.00 0.00 178.44 177.82 1r27 h ARG 122 N 0.08 0.53 -0.45 2.65 3.08 -0.62 -1.28 114.38 118.37 1r27 h ARG 122 Ca 0.04 -0.21 -0.13 0.00 0.07 0.00 0.00 59.98 59.75 1r27 h ARG 122 Cb 0.56 -0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.57 1r27 h ARG 122 CO 0.03 0.75 -0.21 0.93 -1.07 0.00 0.00 179.97 180.40 1r27 h GLU 123 N 0.46 0.93 -0.60 0.04 5.08 -1.11 -2.29 114.58 117.09 1r27 h GLU 123 Ca 0.06 -0.41 -0.07 0.00 -1.00 0.00 0.00 59.36 57.95 1r27 h GLU 123 Cb 0.72 -0.03 -0.03 0.00 0.50 0.00 0.00 28.75 29.92 1r27 h GLU 123 CO 0.06 1.07 0.12 0.00 -1.00 0.00 0.00 179.01 179.25 1r27 h ALA 124 N 0.84 1.07 0.00 3.43 0.00 -0.87 -1.89 119.26 121.84 1r27 h ALA 124 Ca 0.10 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.77 1r27 h ALA 124 Cb 0.79 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.34 1r27 h ALA 124 CO 0.07 0.61 0.00 0.87 0.00 0.00 0.00 179.25 180.79 1r27 h LYS 125 N 0.91 0.00 0.00 0.00 1.57 -1.03 -2.40 116.57 115.62 1r27 h LYS 125 Ca 0.19 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.94 1r27 h LYS 125 Cb 0.37 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.68 1r27 h LYS 125 CO 0.01 0.00 -0.15 0.00 -0.57 0.00 0.00 179.45 178.74 1r27 h ALA 126 N 2.07 1.07 0.00 3.86 0.00 -0.76 -3.17 119.26 122.34 1r27 h ALA 126 Ca 0.00 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.78 1r27 h ALA 126 Cb 0.48 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.25 1r27 h ALA 126 CO 0.00 0.19 -0.00 1.28 0.00 0.00 0.00 179.25 180.72 1r27 n LEU 127 N -3.37 1.92 -3.54 0.00 4.32 -1.01 -4.97 117.00 110.35 1r27 n LEU 127 Ca -0.00 -1.93 -0.19 0.00 -0.02 0.00 0.00 56.01 53.86 1r27 n LEU 127 Cb 0.35 -0.01 -0.14 0.00 -1.62 0.00 0.00 43.42 42.01 1r27 n LEU 127 CO 0.31 0.48 -0.22 -1.00 -1.22 0.00 0.00 177.39 175.74 1r27 s HIS 128 N -0.98 -0.20 0.12 -1.77 3.76 -0.94 -5.01 115.29 110.28 1r27 s HIS 128 Ca 0.00 0.21 0.21 0.00 -0.15 0.00 0.00 55.06 55.33 1r27 s HIS 128 Cb 0.00 -0.39 0.77 0.00 1.11 0.00 0.00 32.58 34.07 1r27 s HIS 128 CO 0.00 -0.54 1.76 0.66 -0.85 0.00 0.00 174.74 175.77 1r27 h SER 129 N 8.33 0.00 -3.59 1.40 4.64 -1.90 -3.41 113.55 119.02 1r27 h SER 129 Ca -0.16 0.00 -0.64 0.00 -0.47 0.00 0.00 61.79 60.52 1r27 h SER 129 Cb 1.15 0.00 -0.14 0.00 -0.31 0.00 0.00 62.40 63.10 1r27 h SER 129 CO 0.26 0.30 0.02 -0.62 -0.87 0.00 0.00 176.83 175.92 1r27 s ASP 130 N -6.30 6.37 0.60 4.97 -1.08 -1.26 -4.95 116.67 115.02 1r27 s ASP 130 Ca 0.01 0.12 0.31 0.00 -0.52 0.00 0.00 52.55 52.46 1r27 s ASP 130 Cb 0.10 -2.29 1.86 0.00 -1.46 0.00 0.00 42.92 41.14 1r27 s ASP 130 CO 0.66 -0.49 2.26 1.55 0.52 0.00 0.00 175.17 179.67 1r27 h PRO 131 N 8.39 0.00 -0.30 4.34 0.13 -1.96 -0.86 132.00 141.74 1r27 h PRO 131 Ca -0.27 0.00 -0.13 0.00 -0.87 0.00 0.00 66.00 64.72 1r27 h PRO 131 Cb 1.12 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.24 1r27 h PRO 131 CO 0.78 0.00 -0.36 0.28 -0.23 0.00 0.00 178.00 178.47 1r27 h VAL 132 N 0.00 1.29 -0.41 1.56 2.07 -1.91 -1.10 116.25 117.74 1r27 h VAL 132 Ca 0.00 -1.52 -0.14 0.00 0.82 0.00 0.00 66.70 65.87 1r27 h VAL 132 Cb 0.02 1.44 -0.01 0.00 -1.52 0.00 0.00 31.29 31.23 1r27 h VAL 132 CO -0.00 0.49 -0.27 -0.33 0.02 0.00 0.00 177.57 177.48 1r27 h GLU 133 N 0.57 0.91 -0.60 1.57 4.39 -1.58 -1.83 114.58 118.01 1r27 h GLU 133 Ca 0.06 -0.43 0.00 0.00 0.34 0.00 0.00 59.36 59.33 1r27 h GLU 133 Cb 0.88 -0.01 -0.03 0.00 -0.10 0.00 0.00 28.75 29.49 1r27 h GLU 133 CO 0.08 1.09 0.39 0.00 -1.16 0.00 0.00 179.01 179.41 1r27 h ALA 134 N 0.81 0.77 -0.13 3.43 0.00 -1.11 -1.33 119.26 121.69 1r27 h ALA 134 Ca 0.08 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 1r27 h ALA 134 Cb 0.85 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.39 1r27 h ALA 134 CO 0.07 0.21 0.05 2.35 0.00 0.00 0.00 179.25 181.93 1r27 h TRP 135 N 0.82 0.20 -0.78 0.00 2.91 -1.06 -2.94 115.95 115.10 1r27 h TRP 135 Ca 0.22 -0.02 0.12 0.00 1.13 0.00 0.00 58.89 60.34 1r27 h TRP 135 Cb -0.08 -0.06 -0.08 0.00 -0.51 0.00 0.00 29.16 28.43 1r27 h TRP 135 CO -0.03 0.31 0.39 0.00 -1.03 0.00 0.00 178.44 178.08 1r27 h ALA 136 N 0.87 1.13 0.00 2.65 0.00 -1.04 0.28 119.26 123.15 1r27 h ALA 136 Ca 0.04 0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.03 1r27 h ALA 136 Cb 0.20 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.97 1r27 h ALA 136 CO -0.00 -0.07 0.00 0.66 0.00 0.00 0.00 179.25 179.83 1r27 h SER 137 N 0.60 0.00 0.00 0.00 4.64 -1.07 -1.65 113.55 116.08 1r27 h SER 137 Ca 0.41 0.00 -0.18 0.00 -0.47 0.00 0.00 61.79 61.55 1r27 h SER 137 Cb 0.52 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.58 1r27 h SER 137 CO -0.32 0.00 -1.28 -0.38 -0.87 0.00 0.00 176.83 173.97 1r27 n ILE 138 N -2.98 1.49 0.25 0.95 5.41 -0.05 -4.24 119.36 120.19 1r27 n ILE 138 Ca -0.02 -0.01 0.09 0.00 1.00 0.00 0.00 62.75 63.82 1r27 n ILE 138 Cb 0.14 -2.16 0.63 0.00 -0.71 0.00 0.00 39.64 37.54 1r27 n ILE 138 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 176.55 176.26 1r27 h ILE 139 N -1.00 0.86 -0.00 1.39 6.09 -1.14 -2.23 117.51 121.48 1r27 h ILE 139 Ca -0.27 -0.52 0.00 0.00 -1.37 0.00 0.00 64.86 62.70 1r27 h ILE 139 Cb 1.10 1.30 0.00 0.00 0.47 0.00 0.00 36.82 39.69 1r27 h ILE 139 CO -0.16 0.14 -0.09 -0.62 -3.07 0.00 0.00 178.15 174.34 1r27 n GLU 140 N -4.03 0.64 -3.44 2.19 1.02 -0.63 -4.63 120.64 111.77 1r27 n GLU 140 Ca -0.02 -0.19 -0.43 0.00 -0.02 0.00 0.00 57.16 56.50 1r27 n GLU 140 Cb 0.22 -1.50 -0.09 0.00 -0.02 0.00 0.00 31.44 30.06 1r27 n GLU 140 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 1r27 s ASP 141 N -2.49 6.07 0.28 1.62 -1.08 -0.84 -4.97 116.67 115.26 1r27 s ASP 141 Ca 0.29 -1.23 0.03 0.00 -0.52 0.00 0.00 52.55 51.12 1r27 s ASP 141 Cb 0.20 -2.15 0.67 0.00 -1.46 0.00 0.00 42.92 40.18 1r27 s ASP 141 CO 0.47 -0.57 1.72 0.00 0.52 0.00 0.00 175.17 177.31 1r27 h ALA 142 N 8.67 1.40 -0.24 3.66 0.00 -1.84 -0.53 119.26 130.39 1r27 h ALA 142 Ca -0.27 0.14 -0.07 0.00 0.00 0.00 0.00 54.91 54.70 1r27 h ALA 142 Cb 1.11 0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.98 1r27 h ALA 142 CO 0.82 -0.26 -0.12 -0.44 0.00 0.00 0.00 179.25 179.25 1r27 h ASP 143 N 0.48 0.51 -0.43 0.00 3.32 -1.93 -1.89 116.42 116.48 1r27 h ASP 143 Ca 0.53 -0.41 -0.00 0.00 0.02 0.00 0.00 57.03 57.17 1r27 h ASP 143 Cb 0.94 -0.14 -0.02 0.00 0.22 0.00 0.00 39.33 40.33 1r27 h ASP 143 CO -0.47 0.81 0.26 0.11 -1.72 0.00 0.00 179.24 178.22 1r27 h LYS 144 N 0.22 0.59 0.41 3.56 1.57 -1.65 0.07 116.57 121.34 1r27 h LYS 144 Ca 0.05 -0.06 -0.01 0.00 -1.87 0.00 0.00 60.65 58.77 1r27 h LYS 144 Cb 0.62 -0.12 -0.01 0.00 0.08 0.00 0.00 32.23 32.79 1r27 h LYS 144 CO 0.04 0.44 -0.31 0.00 -0.57 0.00 0.00 179.45 179.04 1r27 h ALA 145 N 1.11 -0.73 -0.66 3.86 0.00 -1.10 -1.52 119.26 120.23 1r27 h ALA 145 Ca 0.15 -0.13 0.14 0.00 0.00 0.00 0.00 54.91 55.08 1r27 h ALA 145 Cb 0.01 0.41 -0.04 0.00 0.00 0.00 0.00 17.79 18.17 1r27 h ALA 145 CO -0.03 -0.93 0.45 -0.22 0.00 0.00 0.00 179.25 178.52 1r27 h LYS 146 N -0.72 0.27 -0.13 0.00 3.64 -1.24 -2.28 116.57 116.11 1r27 h LYS 146 Ca -0.04 -0.02 0.05 0.00 -1.27 0.00 0.00 60.65 59.37 1r27 h LYS 146 Cb 0.62 -0.06 -0.05 0.00 -0.41 0.00 0.00 32.23 32.32 1r27 h LYS 146 CO 0.00 0.18 -0.21 1.03 -2.27 0.00 0.00 179.45 178.18 1r27 h SER 147 N 0.28 -0.66 0.96 4.20 0.87 0.10 -1.84 113.55 117.46 1r27 h SER 147 Ca 0.32 0.11 -0.03 0.00 -1.23 0.00 0.00 61.79 60.96 1r27 h SER 147 Cb 0.85 0.30 -0.01 0.00 -0.44 0.00 0.00 62.40 63.11 1r27 h SER 147 CO -0.07 -0.26 -1.06 2.19 -0.53 0.00 0.00 176.83 177.09 1r27 h PHE 148 N -0.27 0.00 -0.25 2.24 -5.15 -1.36 -3.35 116.94 108.81 1r27 h PHE 148 Ca 0.10 0.00 -0.14 0.00 -0.20 0.00 0.00 57.97 57.73 1r27 h PHE 148 Cb 0.42 0.00 -0.01 0.00 0.22 0.00 0.00 35.95 36.58 1r27 h PHE 148 CO -0.32 0.11 -0.44 0.87 -2.00 0.00 0.00 178.31 176.53 1r27 h LYS 149 N 0.00 0.62 0.00 6.09 1.57 -1.31 -2.89 116.57 120.65 1r27 h LYS 149 Ca -0.03 -0.34 -0.01 0.00 -1.87 0.00 0.00 60.65 58.41 1r27 h LYS 149 Cb 1.11 0.02 -0.00 0.00 0.08 0.00 0.00 32.23 33.44 1r27 h LYS 149 CO 0.01 0.94 -0.04 1.96 -0.57 0.00 0.00 179.45 181.75 1r27 h GLN 150 N 0.50 0.00 -0.00 3.15 4.20 -1.48 -2.72 115.11 118.76 1r27 h GLN 150 Ca 0.04 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.75 1r27 h GLN 150 Cb 0.96 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.74 1r27 h GLN 150 CO 0.09 0.04 -0.01 0.00 -0.67 0.00 0.00 178.83 178.28 1r27 n ALA 151 N -2.12 2.64 -1.97 3.87 0.00 -1.09 -4.81 120.51 117.04 1r27 n ALA 151 Ca 0.01 -0.21 -0.42 0.00 0.00 0.00 0.00 53.44 52.82 1r27 n ALA 151 Cb 0.36 -1.48 -0.03 0.00 0.00 0.00 0.00 19.45 18.30 1r27 n ALA 151 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1r27 s ARG 152 N -2.15 4.19 0.00 0.00 0.52 -1.03 -1.85 118.95 118.64 1r27 s ARG 152 Ca 0.42 2.25 0.00 0.00 -0.52 0.00 0.00 55.73 57.88 1r27 s ARG 152 Cb 0.21 -3.85 0.00 0.00 0.52 0.00 0.00 34.95 31.84 1r27 s ARG 152 CO 0.39 -0.80 0.00 0.41 0.02 0.00 0.00 175.30 175.32 1r27 n GLY 153 N 4.08 0.48 1.85 -3.53 0.00 -0.93 -4.88 105.19 102.27 1r27 n GLY 153 Ca 0.17 -0.38 -0.11 0.00 0.00 0.00 0.00 46.02 45.70 1r27 n GLY 153 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1r27 n ARG 154 N -2.96 2.59 0.00 1.61 5.12 -0.77 -4.98 116.66 117.28 1r27 n ARG 154 Ca 0.00 -3.71 0.00 0.00 -1.93 0.00 0.00 57.85 52.21 1r27 n ARG 154 Cb 0.00 -1.86 0.00 0.00 -1.16 0.00 0.00 32.46 29.44 1r27 n ARG 154 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1r27 n GLY 155 N -0.68 -1.37 1.50 -0.13 0.00 -1.26 -5.00 105.19 98.24 1r27 n GLY 155 Ca 0.29 -1.20 0.00 0.00 0.00 0.00 0.00 46.02 45.12 1r27 n GLY 155 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1r27 n GLY 156 N 0.00 0.58 3.74 -0.02 0.00 -1.26 -4.86 105.19 103.37 1r27 n GLY 156 Ca 0.00 -0.79 -0.41 0.00 0.00 0.00 0.00 46.02 44.82 1r27 n GLY 156 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1r27 s PHE 157 N -2.00 3.67 0.03 1.61 0.08 -1.26 -0.20 117.98 119.90 1r27 s PHE 157 Ca 0.00 1.67 0.06 0.00 0.12 0.00 0.00 56.93 58.77 1r27 s PHE 157 Cb 0.00 -3.21 -0.02 0.00 -0.57 0.00 0.00 43.02 39.22 1r27 s PHE 157 CO 0.00 -0.36 -0.16 0.08 -0.10 0.00 0.00 175.22 174.67 1r27 s VAL 158 N -0.29 1.30 0.15 -0.44 1.01 0.14 -4.86 120.40 117.42 1r27 s VAL 158 Ca 0.48 -0.99 -0.31 0.00 0.00 0.00 0.00 61.98 61.16 1r27 s VAL 158 Cb -0.28 -1.14 -0.10 0.00 0.00 0.00 0.00 36.38 34.86 1r27 s VAL 158 CO 0.34 0.13 1.54 -0.60 0.00 0.00 0.00 175.10 176.51 1r27 s ARG 159 N -1.00 4.23 0.00 2.72 3.52 -1.26 -1.04 118.95 126.12 1r27 s ARG 159 Ca 0.04 2.31 0.00 0.00 -0.13 0.00 0.00 55.73 57.95 1r27 s ARG 159 Cb -0.08 -3.18 0.00 0.00 -1.56 0.00 0.00 34.95 30.13 1r27 s ARG 159 CO 0.01 -0.58 0.00 0.45 -0.81 0.00 0.00 175.30 174.37 1r27 n SER 160 N 4.01 0.00 -3.66 -2.12 2.88 -0.07 -4.88 113.62 109.78 1r27 n SER 160 Ca 0.13 0.00 -0.10 0.00 -1.33 0.00 0.00 58.87 57.57 1r27 n SER 160 Cb 0.39 0.00 -0.05 0.00 -0.75 0.00 0.00 64.21 63.80 1r27 n SER 160 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 1r27 s SER 161 N 0.71 -0.19 0.20 -3.46 1.04 -1.26 -4.64 113.70 106.09 1r27 s SER 161 Ca 0.00 -0.32 -0.11 0.00 0.48 0.00 0.00 55.95 55.99 1r27 s SER 161 Cb 0.00 0.45 0.15 0.00 0.10 0.00 0.00 66.02 66.72 1r27 s SER 161 CO 0.00 -0.81 1.84 -0.50 0.98 0.00 0.00 173.24 174.75 1r27 h TRP 162 N 2.49 0.76 -0.66 5.02 4.06 -1.98 -1.21 115.95 124.44 1r27 h TRP 162 Ca -0.34 0.02 0.04 0.00 2.06 0.00 0.00 58.89 60.67 1r27 h TRP 162 Cb 1.24 -0.25 -0.04 0.00 -1.00 0.00 0.00 29.16 29.11 1r27 h TRP 162 CO 0.35 0.44 0.40 1.96 -3.56 0.00 0.00 178.44 178.03 1r27 h GLN 163 N 0.80 0.75 -0.06 0.49 7.50 -1.99 -0.25 115.11 122.36 1r27 h GLN 163 Ca 0.25 -0.05 -0.03 0.00 0.50 0.00 0.00 58.65 59.33 1r27 h GLN 163 Cb -0.01 -0.17 -0.00 0.00 0.05 0.00 0.00 27.48 27.35 1r27 h GLN 163 CO -0.09 0.50 -0.07 1.49 -1.50 0.00 0.00 178.83 179.15 1r27 h GLU 164 N 0.77 0.15 -0.42 1.46 4.81 -1.87 -2.91 114.58 116.58 1r27 h GLU 164 Ca 0.27 -0.08 -0.11 0.00 -0.13 0.00 0.00 59.36 59.31 1r27 h GLU 164 Cb 0.06 0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.43 1r27 h GLU 164 CO -0.12 0.62 -0.18 -0.39 -0.73 0.00 0.00 179.01 178.21 1r27 h VAL 165 N -0.31 1.27 -0.74 0.32 -1.51 -1.15 -2.51 116.25 111.61 1r27 h VAL 165 Ca 0.01 -1.29 -0.00 0.00 -1.23 0.00 0.00 66.70 64.19 1r27 h VAL 165 Cb 0.60 1.14 -0.04 0.00 -2.13 0.00 0.00 31.29 30.86 1r27 h VAL 165 CO 0.02 0.44 0.45 0.78 -1.23 0.00 0.00 177.57 178.02 1r27 h ASN 166 N 0.72 0.89 -0.24 4.19 2.35 -1.10 -0.65 115.58 121.73 1r27 h ASN 166 Ca 0.11 -0.06 -0.03 0.00 -0.55 0.00 0.00 56.30 55.77 1r27 h ASN 166 Cb 0.69 -0.22 -0.01 0.00 0.05 0.00 0.00 38.32 38.83 1r27 h ASN 166 CO 0.05 0.69 0.03 -0.08 -1.65 0.00 0.00 177.43 176.47 1r27 h GLU 167 N 1.01 0.40 0.08 0.81 4.81 -1.38 -0.66 114.58 119.65 1r27 h GLU 167 Ca 0.27 -0.11 -0.00 0.00 -0.13 0.00 0.00 59.36 59.38 1r27 h GLU 167 Cb -0.04 -0.04 0.00 0.00 0.63 0.00 0.00 28.75 29.29 1r27 h GLU 167 CO -0.05 0.54 -0.04 1.25 -0.73 0.00 0.00 179.01 179.98 1r27 h LEU 168 N 0.20 -0.09 -0.30 1.64 6.46 -1.27 0.83 115.31 122.77 1r27 h LEU 168 Ca 0.07 -0.03 0.05 0.00 -0.12 0.00 0.00 57.88 57.85 1r27 h LEU 168 Cb 0.34 0.02 -0.05 0.00 -0.73 0.00 0.00 40.66 40.25 1r27 h LEU 168 CO 0.01 -0.02 -0.01 0.40 -0.62 0.00 0.00 178.44 178.19 1r27 h ILE 169 N -0.15 0.77 -0.78 4.05 2.04 -1.08 0.96 117.51 123.32 1r27 h ILE 169 Ca -0.01 -0.03 -0.04 0.00 1.00 0.00 0.00 64.86 65.79 1r27 h ILE 169 Cb 0.12 0.68 -0.03 0.00 -0.74 0.00 0.00 36.82 36.85 1r27 h ILE 169 CO 0.02 0.01 0.34 0.00 0.00 0.00 0.00 178.15 178.52 1r27 h ALA 170 N 1.27 1.00 -0.26 1.87 0.00 -0.94 -1.53 119.26 120.68 1r27 h ALA 170 Ca 0.15 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 1r27 h ALA 170 Cb 0.20 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 1r27 h ALA 170 CO -0.25 0.60 0.12 0.00 0.00 0.00 0.00 179.25 179.72 1r27 h ALA 171 N 1.17 0.33 -0.65 0.00 0.00 -0.21 -1.64 119.26 118.27 1r27 h ALA 171 Ca 0.26 -0.09 0.02 0.00 0.00 0.00 0.00 54.91 55.10 1r27 h ALA 171 Cb 0.17 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 17.82 1r27 h ALA 171 CO -0.03 -0.10 0.42 1.03 0.00 0.00 0.00 179.25 180.57 1r27 h SER 172 N 0.29 0.70 -0.32 0.00 0.87 -0.57 -1.17 113.55 113.36 1r27 h SER 172 Ca 0.09 -0.01 -0.01 0.00 -1.23 0.00 0.00 61.79 60.63 1r27 h SER 172 Cb 0.12 -0.16 -0.01 0.00 -0.44 0.00 0.00 62.40 61.90 1r27 h SER 172 CO -0.01 0.50 0.16 0.78 -0.53 0.00 0.00 176.83 177.73 1r27 h ASN 173 N 0.84 0.41 -0.13 6.23 -0.26 -1.07 -1.36 115.58 120.24 1r27 h ASN 173 Ca 0.25 -0.11 0.00 0.00 -0.56 0.00 0.00 56.30 55.88 1r27 h ASN 173 Cb -0.04 -0.11 -0.01 0.00 -1.06 0.00 0.00 38.32 37.11 1r27 h ASN 173 CO -0.08 0.40 0.09 0.58 -1.06 0.00 0.00 177.43 177.36 1r27 h VAL 174 N 0.39 1.03 -0.17 2.81 2.07 -1.02 -1.33 116.25 120.03 1r27 h VAL 174 Ca 0.11 -0.06 0.04 0.00 0.82 0.00 0.00 66.70 67.61 1r27 h VAL 174 Cb 0.09 0.84 -0.04 0.00 -1.52 0.00 0.00 31.29 30.67 1r27 h VAL 174 CO -0.02 0.03 -0.09 0.22 0.02 0.00 0.00 177.57 177.74 1r27 h TYR 175 N 0.17 -0.20 -0.43 1.57 3.20 -1.08 0.11 116.97 120.31 1r27 h TYR 175 Ca 0.05 0.02 0.01 0.00 3.14 0.00 0.00 58.73 61.95 1r27 h TYR 175 Cb -0.02 0.12 -0.03 0.00 1.54 0.00 0.00 36.73 38.34 1r27 h TYR 175 CO -0.07 -0.14 0.27 1.15 -1.64 0.00 0.00 178.16 177.73 1r27 h THR 176 N -0.07 1.07 -0.59 1.81 2.02 -1.12 -0.21 112.91 115.84 1r27 h THR 176 Ca 0.10 -0.19 -0.08 0.00 0.77 0.00 0.00 66.41 67.01 1r27 h THR 176 Cb 0.21 0.48 -0.02 0.00 -1.74 0.00 0.00 68.15 67.08 1r27 h THR 176 CO -0.22 0.10 0.07 0.40 0.37 0.00 0.00 175.52 176.24 1r27 h ILE 177 N 0.54 1.26 -0.16 3.11 2.04 -0.97 0.16 117.51 123.49 1r27 h ILE 177 Ca 0.17 -1.02 -0.05 0.00 1.00 0.00 0.00 64.86 64.95 1r27 h ILE 177 Cb -0.02 0.78 -0.00 0.00 -0.74 0.00 0.00 36.82 36.83 1r27 h ILE 177 CO -0.06 0.37 -0.09 0.50 0.00 0.00 0.00 178.15 178.87 1r27 h LYS 178 N 0.89 0.35 0.00 2.37 3.64 -0.77 -2.73 116.57 120.31 1r27 h LYS 178 Ca 0.18 -0.16 -0.02 0.00 -1.27 0.00 0.00 60.65 59.38 1r27 h LYS 178 Cb 0.45 -0.01 -0.00 0.00 -0.41 0.00 0.00 32.23 32.26 1r27 h LYS 178 CO 0.02 0.68 -1.29 0.09 -2.27 0.00 0.00 179.45 176.67 1r27 n ASN 179 N -4.61 0.64 0.00 4.20 4.13 -0.11 -4.69 115.26 114.83 1r27 n ASN 179 Ca -0.06 0.25 0.00 0.00 1.68 0.00 0.00 54.58 56.46 1r27 n ASN 179 Cb 0.32 0.79 0.00 0.00 -1.54 0.00 0.00 39.78 39.34 1r27 n ASN 179 CO 0.00 0.00 0.00 -1.22 0.28 0.00 0.00 177.26 176.32 1r27 n TYR 180 N -2.60 0.00 0.00 3.10 4.01 0.38 -4.97 117.16 117.08 1r27 n TYR 180 Ca -0.02 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.72 1r27 n TYR 180 Cb 0.59 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.62 1r27 n TYR 180 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1r27 n GLY 181 N 2.69 4.19 0.30 2.72 0.00 -0.26 -4.15 105.19 110.68 1r27 n GLY 181 Ca 0.00 -1.43 0.06 0.00 0.00 0.00 0.00 46.02 44.65 1r27 n GLY 181 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1r27 h PRO 182 N 0.00 0.57 -0.14 1.61 0.11 -1.83 -1.04 132.00 131.29 1r27 h PRO 182 Ca 0.00 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.08 1r27 h PRO 182 Cb 0.00 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 30.98 1r27 h PRO 182 CO 0.00 0.38 0.00 -0.40 -0.21 0.00 0.00 178.00 177.77 1r27 n ASP 183 N -4.89 0.14 -0.65 -2.05 5.75 -1.21 -1.59 116.55 112.05 1r27 n ASP 183 Ca 0.15 -1.26 0.11 0.00 -0.01 0.00 0.00 54.79 53.79 1r27 n ASP 183 Cb 0.40 -0.07 0.03 0.00 -1.03 0.00 0.00 41.12 40.45 1r27 n ASP 183 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 1r27 n ARG 184 N -0.35 1.58 -4.38 0.11 3.00 -0.39 -4.22 116.66 112.01 1r27 n ARG 184 Ca 0.00 -1.31 -0.34 0.00 -0.01 0.00 0.00 57.85 56.19 1r27 n ARG 184 Cb 0.04 -1.47 -0.10 0.00 0.00 0.00 0.00 32.46 30.93 1r27 n ARG 184 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.63 177.71 1r27 s VAL 185 N -2.32 4.19 0.22 1.55 1.01 -0.62 -0.57 120.40 123.85 1r27 s VAL 185 Ca 0.22 -0.37 -0.15 0.00 0.00 0.00 0.00 61.98 61.67 1r27 s VAL 185 Cb 0.19 -2.78 0.01 0.00 0.00 0.00 0.00 36.38 33.80 1r27 s VAL 185 CO 0.48 0.54 0.49 0.00 0.00 0.00 0.00 175.10 176.62 1r27 s ALA 186 N -0.93 -0.61 -0.03 5.51 0.00 -0.24 -1.04 121.76 124.42 1r27 s ALA 186 Ca 0.15 -0.53 -0.05 0.00 0.00 0.00 0.00 51.96 51.52 1r27 s ALA 186 Cb -0.11 0.92 0.01 0.00 0.00 0.00 0.00 23.12 23.93 1r27 s ALA 186 CO 0.04 -0.82 0.12 0.20 0.00 0.00 0.00 175.76 175.31 1r27 s GLY 187 N -2.94 -0.02 -0.14 0.00 0.00 -0.64 -0.94 107.32 102.64 1r27 s GLY 187 Ca 0.15 0.11 0.01 0.00 0.00 0.00 0.00 44.72 44.99 1r27 s GLY 187 CO 0.02 0.02 -0.17 -0.12 0.00 0.00 0.00 173.10 172.85 1r27 s PHE 188 N -0.60 2.32 -0.24 1.90 5.36 0.33 -2.52 117.98 124.53 1r27 s PHE 188 Ca -0.07 -1.21 -0.14 0.00 -0.96 0.00 0.00 56.93 54.55 1r27 s PHE 188 Cb -0.04 -1.64 0.07 0.00 -0.34 0.00 0.00 43.02 41.07 1r27 s PHE 188 CO 0.01 -0.61 0.58 0.45 -1.46 0.00 0.00 175.22 174.19 1r27 s SER 189 N 1.11 -0.78 0.25 6.13 0.15 -1.26 -2.68 113.70 116.62 1r27 s SER 189 Ca -0.02 1.28 0.03 0.00 0.70 0.00 0.00 55.95 57.94 1r27 s SER 189 Cb -0.14 1.16 0.03 0.00 -1.71 0.00 0.00 66.02 65.36 1r27 s SER 189 CO -0.06 -0.22 0.27 -0.81 1.20 0.00 0.00 173.24 173.63 1r27 n PRO 190 N 4.21 0.97 -1.43 5.44 -0.04 -1.26 -4.86 135.00 138.03 1r27 n PRO 190 Ca -0.21 -1.43 -0.06 0.00 -0.04 0.00 0.00 63.50 61.76 1r27 n PRO 190 Cb 0.57 0.01 0.01 0.00 -0.04 0.00 0.00 33.50 34.06 1r27 n PRO 190 CO 0.00 0.00 0.00 -0.89 -0.04 0.00 0.00 175.50 174.57 1r27 n ILE 191 N -1.33 -0.73 0.28 0.52 -0.00 -1.26 -4.82 119.36 112.01 1r27 n ILE 191 Ca 0.04 0.04 0.17 0.00 -0.00 0.00 0.00 62.75 62.99 1r27 n ILE 191 Cb 0.27 -0.74 0.76 0.00 -0.00 0.00 0.00 39.64 39.93 1r27 n ILE 191 CO 0.00 0.00 0.00 1.55 -0.00 0.00 0.00 176.55 178.10 1r27 h PRO 192 N 0.76 0.00 0.00 0.38 0.13 -1.90 -3.12 132.00 128.25 1r27 h PRO 192 Ca -0.09 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.03 1r27 h PRO 192 Cb 0.29 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.42 1r27 h PRO 192 CO 0.04 0.05 -0.05 0.00 -0.23 0.00 0.00 178.00 177.81 1r27 h ALA 193 N 1.95 1.74 0.00 -0.56 0.00 -1.88 -1.09 119.26 119.42 1r27 h ALA 193 Ca -0.00 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1r27 h ALA 193 Cb 0.42 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.21 1r27 h ALA 193 CO 0.01 0.06 0.00 0.00 0.00 0.00 0.00 179.25 179.31 1r27 n MET 194 N -4.22 0.25 -2.69 0.00 0.00 -1.18 -1.86 117.12 107.42 1r27 n MET 194 Ca -0.03 0.30 -0.02 0.00 0.00 0.00 0.00 57.70 57.95 1r27 n MET 194 Cb 0.13 -1.85 0.03 0.00 0.00 0.00 0.00 33.22 31.53 1r27 n MET 194 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 175.97 174.43 1r27 s SER 195 N -4.51 -0.33 0.19 3.17 1.04 -1.03 -4.07 113.70 108.16 1r27 s SER 195 Ca 0.08 -0.35 -0.15 0.00 0.48 0.00 0.00 55.95 56.01 1r27 s SER 195 Cb 0.11 0.42 0.16 0.00 0.10 0.00 0.00 66.02 66.82 1r27 s SER 195 CO 0.53 -0.02 1.66 0.24 0.98 0.00 0.00 173.24 176.63 1r27 h MET 196 N 4.41 0.02 -0.07 4.02 0.00 -0.80 -2.11 114.93 120.41 1r27 h MET 196 Ca -0.01 -0.00 -0.17 0.00 0.00 0.00 0.00 59.70 59.52 1r27 h MET 196 Cb 1.18 -0.00 -0.01 0.00 0.00 0.00 0.00 31.60 32.76 1r27 h MET 196 CO -0.10 0.01 -0.70 0.28 0.00 0.00 0.00 176.91 176.40 1r27 h VAL 197 N 0.02 1.40 -0.59 -2.22 2.07 -1.86 -1.98 116.25 113.09 1r27 h VAL 197 Ca 0.24 -2.14 -0.08 0.00 0.82 0.00 0.00 66.70 65.55 1r27 h VAL 197 Cb 0.37 2.11 -0.02 0.00 -1.52 0.00 0.00 31.29 32.23 1r27 h VAL 197 CO -0.50 0.64 0.06 0.28 0.02 0.00 0.00 177.57 178.07 1r27 h SER 198 N 0.22 0.93 0.10 0.57 0.02 -1.85 -0.15 113.55 113.39 1r27 h SER 198 Ca -0.02 -0.22 -0.00 0.00 -0.84 0.00 0.00 61.79 60.70 1r27 h SER 198 Cb 1.26 -0.25 0.00 0.00 0.14 0.00 0.00 62.40 63.55 1r27 h SER 198 CO 0.11 0.96 -0.05 0.22 -1.14 0.00 0.00 176.83 176.93 1r27 h TYR 199 N 0.91 -0.12 -0.65 3.45 3.20 -1.37 -3.23 116.97 119.17 1r27 h TYR 199 Ca 0.18 -0.00 0.10 0.00 3.14 0.00 0.00 58.73 62.15 1r27 h TYR 199 Cb 0.45 0.04 -0.04 0.00 1.54 0.00 0.00 36.73 38.72 1r27 h TYR 199 CO 0.03 0.25 0.43 0.00 -1.64 0.00 0.00 178.16 177.23 1r27 h ALA 200 N 0.31 1.98 -0.18 1.82 0.00 -1.14 -3.04 119.26 119.01 1r27 h ALA 200 Ca -0.01 -0.01 0.04 0.00 0.00 0.00 0.00 54.91 54.92 1r27 h ALA 200 Cb 0.43 -0.10 -0.07 0.00 0.00 0.00 0.00 17.79 18.06 1r27 h ALA 200 CO 0.02 -0.12 -0.52 0.66 0.00 0.00 0.00 179.25 179.29 1r27 h SER 201 N 0.47 -1.67 0.03 0.00 4.64 -1.04 0.17 113.55 116.15 1r27 h SER 201 Ca 0.30 0.21 -0.17 0.00 -0.47 0.00 0.00 61.79 61.66 1r27 h SER 201 Cb 0.55 0.66 -0.00 0.00 -0.31 0.00 0.00 62.40 63.30 1r27 h SER 201 CO -0.09 -0.46 -0.59 1.23 -0.87 0.00 0.00 176.83 176.05 1r27 h GLY 202 N -0.54 0.63 1.52 -0.77 0.00 -1.71 -2.96 103.07 99.23 1r27 h GLY 202 Ca 0.05 -0.76 -0.06 0.00 0.00 0.00 0.00 47.33 46.57 1r27 h GLY 202 CO -0.46 0.68 0.00 0.00 0.00 0.00 0.00 176.54 176.76 1r27 h ALA 203 N 0.92 1.30 -0.30 3.60 0.00 -1.38 -1.40 119.26 122.01 1r27 h ALA 203 Ca -0.00 -0.22 -0.12 0.00 0.00 0.00 0.00 54.91 54.57 1r27 h ALA 203 Cb 1.15 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 18.77 1r27 h ALA 203 CO 0.11 0.48 -0.29 -0.09 0.00 0.00 0.00 179.25 179.46 1r27 h ARG 204 N 0.57 0.72 -0.25 0.00 2.43 0.88 0.00 114.38 118.73 1r27 h ARG 204 Ca 0.12 -0.38 -0.02 0.00 -0.81 0.00 0.00 59.98 58.89 1r27 h ARG 204 Cb 0.36 0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 29.91 1r27 h ARG 204 CO 0.01 1.00 0.10 -0.92 -1.51 0.00 0.00 179.97 178.64 1r27 h TYR 205 N 0.47 0.39 -0.68 2.20 3.20 -1.35 -1.76 116.97 119.44 1r27 h TYR 205 Ca 0.05 -0.03 -0.04 0.00 3.14 0.00 0.00 58.73 61.85 1r27 h TYR 205 Cb 0.86 -0.11 -0.03 0.00 1.54 0.00 0.00 36.73 38.99 1r27 h TYR 205 CO 0.07 0.41 0.28 -0.07 -1.64 0.00 0.00 178.16 177.21 1r27 h LEU 206 N 0.25 0.92 -0.90 2.82 3.38 -1.20 -2.65 115.31 117.94 1r27 h LEU 206 Ca 0.08 -0.17 -0.09 0.00 0.09 0.00 0.00 57.88 57.80 1r27 h LEU 206 Cb 0.19 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.68 1r27 h LEU 206 CO -0.01 0.84 -0.15 0.28 0.09 0.00 0.00 178.44 179.49 1r27 h SER 207 N 0.95 0.63 -0.51 -0.43 0.02 -0.87 0.59 113.55 113.93 1r27 h SER 207 Ca 0.23 -0.19 -0.12 0.00 -0.84 0.00 0.00 61.79 60.87 1r27 h SER 207 Cb 0.19 -0.17 -0.02 0.00 0.14 0.00 0.00 62.40 62.55 1r27 h SER 207 CO -0.02 0.80 -0.13 -0.07 -1.14 0.00 0.00 176.83 176.27 1r27 h LEU 208 N 0.58 1.01 -0.12 5.07 3.38 -1.13 -3.11 115.31 120.99 1r27 h LEU 208 Ca 0.10 -0.34 0.00 0.00 0.09 0.00 0.00 57.88 57.72 1r27 h LEU 208 Cb 0.59 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 41.07 1r27 h LEU 208 CO 0.04 1.13 -0.27 2.30 0.09 0.00 0.00 178.44 181.74 1r27 n ILE 209 N -4.14 0.00 -0.10 1.22 -5.35 -1.01 -4.86 119.36 105.12 1r27 n ILE 209 Ca 0.01 -0.03 0.00 0.00 -0.27 0.00 0.00 62.75 62.46 1r27 n ILE 209 Cb 0.41 0.03 0.00 0.00 -1.74 0.00 0.00 39.64 38.34 1r27 n ILE 209 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1r27 n GLY 210 N 1.43 0.95 3.79 3.28 0.00 -0.45 -4.78 105.19 109.41 1r27 n GLY 210 Ca 0.09 -0.01 -0.30 0.00 0.00 0.00 0.00 46.02 45.80 1r27 n GLY 210 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1r27 s GLY 211 N -2.01 1.62 -0.02 -0.02 0.00 0.19 -3.28 107.32 103.80 1r27 s GLY 211 Ca 0.00 -0.17 -0.23 0.00 0.00 0.00 0.00 44.72 44.32 1r27 s GLY 211 CO 0.00 0.27 0.68 -1.59 0.00 0.00 0.00 173.10 172.46 1r27 s THR 212 N -3.11 4.92 -0.28 0.90 2.01 -0.21 -4.38 115.64 115.49 1r27 s THR 212 Ca 0.61 1.43 -0.08 0.00 0.31 0.00 0.00 61.69 63.96 1r27 s THR 212 Cb -0.15 -4.02 -0.01 0.00 0.01 0.00 0.00 72.50 68.32 1r27 s THR 212 CO 0.55 0.34 0.10 0.00 -0.69 0.00 0.00 174.62 174.92 1r27 s LEU 214 N 1.60 4.52 0.99 0.00 1.43 -1.05 -1.64 118.68 124.53 1r27 s LEU 214 Ca 0.05 1.46 -0.14 0.00 -1.03 0.00 0.00 54.13 54.47 1r27 s LEU 214 Cb -0.16 -3.16 0.18 0.00 0.03 0.00 0.00 46.19 43.08 1r27 s LEU 214 CO 0.04 0.15 1.16 -0.94 0.23 0.00 0.00 176.35 177.00 1r27 s SER 215 N -0.72 2.82 0.00 2.29 1.04 -0.35 -4.59 113.70 114.19 1r27 s SER 215 Ca 0.35 0.81 0.00 0.00 0.48 0.00 0.00 55.95 57.58 1r27 s SER 215 Cb -0.21 -1.24 0.00 0.00 0.10 0.00 0.00 66.02 64.67 1r27 s SER 215 CO 0.23 -2.97 0.00 2.22 0.98 0.00 0.00 173.24 173.70 1r27 n PHE 216 N -4.01 0.00 -0.18 5.02 1.16 -1.26 -4.38 117.46 113.80 1r27 n PHE 216 Ca 0.09 0.00 -0.04 0.00 -1.87 0.00 0.00 57.45 55.63 1r27 n PHE 216 Cb 0.59 0.00 0.05 0.00 -1.61 0.00 0.00 39.48 38.52 1r27 n PHE 216 CO 0.00 0.00 0.00 -0.92 -1.87 0.00 0.00 176.76 173.97 1r27 h TYR 217 N 0.00 0.52 -0.06 2.97 -0.00 -1.96 0.17 116.97 118.62 1r27 h TYR 217 Ca 0.00 0.02 -0.18 0.00 -0.00 0.00 0.00 58.73 58.57 1r27 h TYR 217 Cb 0.00 -0.16 0.01 0.00 -0.00 0.00 0.00 36.73 36.58 1r27 h TYR 217 CO 0.00 0.27 -0.66 0.38 -0.00 0.00 0.00 178.16 178.15 1r27 h ASP 218 N 0.55 0.68 -0.60 -2.11 3.04 -1.86 -0.92 116.42 115.21 1r27 h ASP 218 Ca 0.23 -0.69 0.08 0.00 -3.24 0.00 0.00 57.03 53.41 1r27 h ASP 218 Cb 0.11 -0.21 -0.06 0.00 -1.04 0.00 0.00 39.33 38.13 1r27 h ASP 218 CO -0.14 1.28 0.25 -0.25 -2.04 0.00 0.00 179.24 178.34 1r27 h TRP 219 N 0.15 0.45 0.00 4.15 -0.00 -1.67 0.31 115.95 119.34 1r27 h TRP 219 Ca -0.06 0.03 0.00 0.00 -0.00 0.00 0.00 58.89 58.85 1r27 h TRP 219 Cb 1.32 -0.11 0.00 0.00 -0.00 0.00 0.00 29.16 30.37 1r27 h TRP 219 CO 0.12 0.16 0.00 0.66 -0.00 0.00 0.00 178.44 179.38 1r27 n TYR 220 N -4.94 0.00 -2.39 2.65 4.01 0.57 -3.25 117.16 113.80 1r27 n TYR 220 Ca 0.08 0.00 -0.11 0.00 -0.16 0.00 0.00 57.90 57.71 1r27 n TYR 220 Cb 0.23 -0.49 0.01 0.00 -0.31 0.00 0.00 39.34 38.78 1r27 n TYR 220 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1r27 n ASP 222 N -0.20 0.40 -4.67 0.00 8.00 -0.45 -4.58 116.55 115.04 1r27 n ASP 222 Ca -0.10 0.11 -0.42 0.00 0.71 0.00 0.00 54.79 55.09 1r27 n ASP 222 Cb 0.58 1.28 -0.03 0.00 -0.02 0.00 0.00 41.12 42.94 1r27 n ASP 222 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 1r27 s LEU 223 N -4.81 4.28 -0.58 0.64 2.96 -0.59 -4.96 118.68 115.62 1r27 s LEU 223 Ca -0.04 2.04 -0.18 0.00 -0.22 0.00 0.00 54.13 55.73 1r27 s LEU 223 Cb 0.12 -3.55 0.11 0.00 0.50 0.00 0.00 46.19 43.38 1r27 s LEU 223 CO 0.85 -0.80 0.64 -2.16 -1.32 0.00 0.00 176.35 173.57 1r27 s PRO 224 N 3.23 3.03 0.62 0.98 0.04 -1.26 -4.90 135.00 136.74 1r27 s PRO 224 Ca 0.64 -1.45 0.28 0.00 0.04 0.00 0.00 61.00 60.51 1r27 s PRO 224 Cb -0.29 -4.28 1.44 0.00 0.04 0.00 0.00 34.50 31.40 1r27 s PRO 224 CO 0.24 -1.48 1.83 -1.35 0.04 0.00 0.00 177.00 176.29 1r27 h PRO 225 N 9.09 0.00 0.00 0.56 0.11 -1.93 0.55 132.00 140.37 1r27 h PRO 225 Ca -0.30 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.80 1r27 h PRO 225 Cb 1.09 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.20 1r27 h PRO 225 CO 1.08 0.00 -0.09 0.00 -0.21 0.00 0.00 178.00 178.78 1r27 h ALA 226 N 1.29 1.40 0.06 -0.75 0.00 -1.90 -2.08 119.26 117.29 1r27 h ALA 226 Ca 0.13 -0.08 -0.00 0.00 0.00 0.00 0.00 54.91 54.95 1r27 h ALA 226 Cb 1.09 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.86 1r27 h ALA 226 CO -0.00 0.11 -0.03 1.03 0.00 0.00 0.00 179.25 180.36 1r27 h SER 227 N 0.00 -0.07 -0.19 0.00 0.87 -0.17 -1.10 113.55 112.88 1r27 h SER 227 Ca -0.00 -0.45 -0.05 0.00 -1.23 0.00 0.00 61.79 60.06 1r27 h SER 227 Cb 0.23 0.02 -0.02 0.00 -0.44 0.00 0.00 62.40 62.19 1r27 h SER 227 CO 0.01 0.44 -0.02 -0.65 -0.53 0.00 0.00 176.83 176.07 1r27 h PRO 228 N -0.61 0.48 -0.50 2.24 0.11 -1.38 0.20 132.00 132.53 1r27 h PRO 228 Ca -0.01 -0.11 -0.04 0.00 0.11 0.00 0.00 66.00 65.96 1r27 h PRO 228 Cb 0.52 -0.07 -0.02 0.00 0.11 0.00 0.00 31.00 31.54 1r27 h PRO 228 CO 0.01 0.53 0.17 1.96 -0.21 0.00 0.00 178.00 180.46 1r27 h GLN 229 N 0.46 0.78 0.11 1.05 4.20 -1.37 -0.39 115.11 119.95 1r27 h GLN 229 Ca 0.10 -0.16 -0.33 0.00 0.06 0.00 0.00 58.65 58.32 1r27 h GLN 229 Cb 0.34 -0.12 -0.02 0.00 0.30 0.00 0.00 27.48 27.99 1r27 h GLN 229 CO 0.01 0.71 -1.78 1.15 -0.67 0.00 0.00 178.83 178.26 1r27 h THR 230 N 0.68 0.86 0.00 -0.54 2.02 -0.94 -3.43 112.91 111.57 1r27 h THR 230 Ca 0.16 -2.56 0.00 0.00 0.77 0.00 0.00 66.41 64.78 1r27 h THR 230 Cb 0.25 2.60 0.00 0.00 -1.74 0.00 0.00 68.15 69.26 1r27 h THR 230 CO -0.01 0.80 0.00 0.79 0.37 0.00 0.00 175.52 177.47 1r27 n TRP 231 N -3.41 0.00 -1.96 3.16 8.01 0.68 -1.30 117.44 122.62 1r27 n TRP 231 Ca -0.24 0.00 -0.11 0.00 -1.31 0.00 0.00 57.50 55.85 1r27 n TRP 231 Cb 1.05 0.00 -0.02 0.00 -2.01 0.00 0.00 31.31 30.34 1r27 n TRP 231 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 1r27 n GLY 232 N 0.89 0.28 3.05 6.99 0.00 -0.16 -2.64 105.19 113.59 1r27 n GLY 232 Ca 0.00 -0.46 -0.21 0.00 0.00 0.00 0.00 46.02 45.35 1r27 n GLY 232 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1r27 s GLU 233 N -4.10 1.09 0.10 1.61 2.56 -1.25 -4.54 118.70 114.17 1r27 s GLU 233 Ca 0.00 -0.40 -0.33 0.00 0.00 0.00 0.00 54.97 54.24 1r27 s GLU 233 Cb 0.00 -1.02 -0.14 0.00 2.00 0.00 0.00 34.13 34.97 1r27 s GLU 233 CO 0.00 0.19 1.58 0.37 -0.56 0.00 0.00 175.26 176.84 1r27 h GLN 234 N 6.17 -0.81 -0.92 4.30 4.15 -1.89 -3.03 115.11 123.09 1r27 h GLN 234 Ca -0.33 0.05 0.20 0.00 0.77 0.00 0.00 58.65 59.34 1r27 h GLN 234 Cb 1.17 0.18 -0.30 0.00 0.21 0.00 0.00 27.48 28.75 1r27 h GLN 234 CO 0.49 -0.54 0.58 0.99 -1.93 0.00 0.00 178.83 178.42 1r27 s THR 235 N -5.91 -0.07 -0.13 2.39 2.01 -1.26 -4.62 115.64 108.06 1r27 s THR 235 Ca -0.17 0.00 -0.05 0.00 0.31 0.00 0.00 61.69 61.78 1r27 s THR 235 Cb 0.06 -1.00 0.06 0.00 0.01 0.00 0.00 72.50 71.63 1r27 s THR 235 CO 0.62 0.00 0.27 -0.62 -0.69 0.00 0.00 174.62 174.20 1r27 s ASP 236 N 1.48 0.28 0.20 3.53 -1.08 -1.26 -4.97 116.67 114.85 1r27 s ASP 236 Ca -0.06 0.61 0.01 0.00 -0.52 0.00 0.00 52.55 52.59 1r27 s ASP 236 Cb -0.02 0.71 -0.05 0.00 -1.46 0.00 0.00 42.92 42.10 1r27 s ASP 236 CO -0.13 -0.23 0.07 0.68 0.52 0.00 0.00 175.17 176.08 1r27 s VAL 237 N 2.34 0.40 0.58 1.11 -7.23 -1.26 -4.73 120.40 111.62 1r27 s VAL 237 Ca 0.00 -1.98 -0.18 0.00 -1.81 0.00 0.00 61.98 58.01 1r27 s VAL 237 Cb -0.12 -2.37 -0.04 0.00 0.56 0.00 0.00 36.38 34.41 1r27 s VAL 237 CO -0.09 -0.21 1.14 -2.84 -0.31 0.00 0.00 175.10 172.79 1r27 s PRO 238 N -4.03 3.15 0.60 4.82 0.02 -1.26 -4.11 135.00 134.19 1r27 s PRO 238 Ca 0.32 1.59 -0.13 0.00 0.02 0.00 0.00 61.00 62.80 1r27 s PRO 238 Cb 0.07 -1.98 -0.04 0.00 0.02 0.00 0.00 34.50 32.57 1r27 s PRO 238 CO 0.09 -1.01 1.02 -1.83 -0.33 0.00 0.00 177.00 174.94 1r27 s GLU 239 N -3.49 3.58 0.50 5.54 -1.05 -0.94 -4.84 118.70 117.99 1r27 s GLU 239 Ca 0.72 0.85 0.15 0.00 -0.15 0.00 0.00 54.97 56.54 1r27 s GLU 239 Cb -0.24 -2.08 1.20 0.00 -0.44 0.00 0.00 34.13 32.57 1r27 s GLU 239 CO 0.31 -0.58 2.11 0.66 0.95 0.00 0.00 175.26 178.71 1r27 h SER 240 N -0.04 0.10 0.10 0.83 4.64 -1.59 -0.26 113.55 117.34 1r27 h SER 240 Ca -0.45 -0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 60.86 1r27 h SER 240 Cb 1.19 -0.02 -0.00 0.00 -0.31 0.00 0.00 62.40 63.26 1r27 h SER 240 CO 0.61 0.07 -0.06 0.00 -0.87 0.00 0.00 176.83 176.58 1r27 h ALA 241 N 1.91 1.66 0.00 5.18 0.00 -1.93 -0.79 119.26 125.29 1r27 h ALA 241 Ca 0.07 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1r27 h ALA 241 Cb 0.14 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.92 1r27 h ALA 241 CO -0.01 0.08 0.00 0.22 0.00 0.00 0.00 179.25 179.54 1r27 h ASP 242 N 0.00 0.00 0.06 0.00 3.58 -1.32 -2.34 116.42 116.41 1r27 h ASP 242 Ca -0.00 0.00 -0.02 0.00 0.42 0.00 0.00 57.03 57.43 1r27 h ASP 242 Cb 0.13 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.18 1r27 h ASP 242 CO 0.01 0.00 -0.08 -0.50 -2.88 0.00 0.00 179.24 175.79 1r27 h TRP 243 N 0.00 0.07 0.00 0.28 6.55 -1.23 -0.72 115.95 120.89 1r27 h TRP 243 Ca 0.00 -0.00 0.00 0.00 0.95 0.00 0.00 58.89 59.84 1r27 h TRP 243 Cb 0.44 -0.02 0.00 0.00 -0.86 0.00 0.00 29.16 28.72 1r27 h TRP 243 CO 0.00 0.15 0.00 0.98 -1.05 0.00 0.00 178.44 178.52 1r27 n TYR 244 N -4.40 0.74 1.23 0.49 9.36 -0.88 -1.73 117.16 121.98 1r27 n TYR 244 Ca -0.02 0.31 0.13 0.00 3.32 0.00 0.00 57.90 61.64 1r27 n TYR 244 Cb 0.18 -1.00 0.31 0.00 -0.63 0.00 0.00 39.34 38.20 1r27 n TYR 244 CO 0.00 0.00 0.00 0.09 0.22 0.00 0.00 176.86 177.17 1r27 n ASN 245 N -2.19 2.27 -4.87 2.98 3.02 -0.28 -4.91 115.26 111.28 1r27 n ASN 245 Ca 0.01 -1.76 -0.34 0.00 -0.03 0.00 0.00 54.58 52.47 1r27 n ASN 245 Cb 0.18 -0.00 -0.05 0.00 -0.61 0.00 0.00 39.78 39.29 1r27 n ASN 245 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 1r27 s SER 246 N -1.99 6.67 0.00 6.41 0.15 -0.70 -4.35 113.70 119.90 1r27 s SER 246 Ca 0.33 0.88 0.10 0.00 0.70 0.00 0.00 55.95 57.96 1r27 s SER 246 Cb 0.20 -2.21 0.10 0.00 -1.71 0.00 0.00 66.02 62.41 1r27 s SER 246 CO 0.32 0.08 0.87 -1.54 1.20 0.00 0.00 173.24 174.17 1r27 n SER 247 N 0.55 1.96 -3.46 5.45 3.41 -0.66 -4.78 113.62 116.08 1r27 n SER 247 Ca -0.05 -1.49 -0.04 0.00 -0.26 0.00 0.00 58.87 57.03 1r27 n SER 247 Cb 0.52 -0.03 -0.06 0.00 -0.26 0.00 0.00 64.21 64.39 1r27 n SER 247 CO 0.00 0.00 0.00 -0.47 -0.16 0.00 0.00 175.04 174.41 1r27 s TYR 248 N -0.86 -1.12 -0.05 7.33 5.04 -1.22 -2.88 117.35 123.59 1r27 s TYR 248 Ca 0.13 1.58 0.04 0.00 -2.44 0.00 0.00 57.07 56.38 1r27 s TYR 248 Cb 0.09 0.41 -0.00 0.00 0.35 0.00 0.00 41.96 42.80 1r27 s TYR 248 CO 0.13 -0.68 -0.18 0.42 -1.34 0.00 0.00 175.55 173.90 1r27 s ILE 249 N 2.72 1.52 -0.21 3.14 1.01 -0.16 -0.81 121.20 128.41 1r27 s ILE 249 Ca 0.06 -0.75 -0.01 0.00 0.00 0.00 0.00 60.65 59.95 1r27 s ILE 249 Cb -0.14 -1.31 0.02 0.00 0.01 0.00 0.00 42.46 41.04 1r27 s ILE 249 CO -0.17 0.44 -0.13 -0.63 0.00 0.00 0.00 174.94 174.45 1r27 s ILE 250 N 0.11 2.56 -0.49 2.92 1.01 -0.64 -0.85 121.20 125.82 1r27 s ILE 250 Ca -0.06 -0.90 -0.21 0.00 0.00 0.00 0.00 60.65 59.48 1r27 s ILE 250 Cb -0.13 -2.18 0.04 0.00 0.01 0.00 0.00 42.46 40.20 1r27 s ILE 250 CO 0.03 0.40 0.71 0.00 0.00 0.00 0.00 174.94 176.08 1r27 s ALA 251 N 1.33 3.32 -0.32 9.38 0.00 0.16 -1.45 121.76 134.17 1r27 s ALA 251 Ca 0.03 -1.39 -0.03 0.00 0.00 0.00 0.00 51.96 50.58 1r27 s ALA 251 Cb -0.15 -3.42 0.06 0.00 0.00 0.00 0.00 23.12 19.61 1r27 s ALA 251 CO -0.08 -2.00 0.05 -0.46 0.00 0.00 0.00 175.76 173.27 1r27 s TRP 252 N 3.03 3.32 -1.59 0.00 -0.11 0.15 -0.82 118.94 122.90 1r27 s TRP 252 Ca 0.22 -1.89 -0.04 0.00 1.22 0.00 0.00 56.10 55.61 1r27 s TRP 252 Cb -0.15 -2.33 0.00 0.00 -1.50 0.00 0.00 33.47 29.49 1r27 s TRP 252 CO 0.17 -0.82 0.55 0.41 -4.62 0.00 0.00 176.95 172.64 1r27 n GLY 253 N 4.65 -0.52 2.63 5.86 0.00 -1.06 -2.96 105.19 113.79 1r27 n GLY 253 Ca -0.11 0.12 -0.27 0.00 0.00 0.00 0.00 46.02 45.76 1r27 n GLY 253 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1r27 s SER 254 N -2.63 2.72 -1.52 1.61 0.15 -1.26 -2.03 113.70 110.73 1r27 s SER 254 Ca 0.27 -0.80 -0.08 0.00 0.70 0.00 0.00 55.95 56.03 1r27 s SER 254 Cb -0.12 -0.35 -0.02 0.00 -1.71 0.00 0.00 66.02 63.82 1r27 s SER 254 CO 0.33 -0.36 2.78 -3.20 1.20 0.00 0.00 173.24 174.00 1r27 n ASN 255 N 5.21 8.52 -0.20 5.45 5.15 -1.26 -4.86 115.26 133.28 1r27 n ASN 255 Ca -0.07 -2.76 -0.01 0.00 -0.60 0.00 0.00 54.58 51.14 1r27 n ASN 255 Cb 0.47 -1.49 0.02 0.00 -0.53 0.00 0.00 39.78 38.25 1r27 n ASN 255 CO 0.00 0.00 0.00 0.52 1.40 0.00 0.00 177.26 179.18 1r27 n VAL 256 N 2.95 -0.27 -0.02 3.44 0.31 -1.26 -0.26 118.33 123.21 1r27 n VAL 256 Ca 0.73 1.22 0.04 0.00 -0.01 0.00 0.00 64.34 66.32 1r27 n VAL 256 Cb 0.24 -1.61 0.41 0.00 -0.91 0.00 0.00 33.84 31.97 1r27 n VAL 256 CO 0.00 0.00 0.00 -0.65 -1.32 0.00 0.00 176.83 174.86 1r27 h PRO 257 N 0.00 0.57 0.08 5.55 0.11 -1.88 -0.19 132.00 136.25 1r27 h PRO 257 Ca 0.18 -0.03 -0.34 0.00 0.11 0.00 0.00 66.00 65.91 1r27 h PRO 257 Cb 0.31 -0.13 -0.03 0.00 0.11 0.00 0.00 31.00 31.26 1r27 h PRO 257 CO -0.52 0.38 -1.92 0.94 -0.21 0.00 0.00 178.00 176.68 1r27 n GLN 258 N -4.47 0.70 -0.10 1.05 7.27 0.64 -3.78 117.38 118.68 1r27 n GLN 258 Ca 0.04 0.32 0.11 0.00 0.07 0.00 0.00 57.00 57.54 1r27 n GLN 258 Cb 0.07 -1.69 0.16 0.00 2.41 0.00 0.00 30.24 31.19 1r27 n GLN 258 CO 0.00 0.00 0.00 0.25 0.07 0.00 0.00 177.06 177.38 1r27 n THR 259 N -3.70 0.28 -2.51 1.69 -2.24 -0.23 -4.33 114.28 103.24 1r27 n THR 259 Ca -0.34 -0.64 0.01 0.00 -2.27 0.00 0.00 64.05 60.80 1r27 n THR 259 Cb 0.96 1.20 0.02 0.00 -2.10 0.00 0.00 70.33 70.41 1r27 n THR 259 CO 0.00 0.00 0.00 -1.14 -0.57 0.00 0.00 175.07 173.36 1r27 n ARG 260 N 1.37 0.49 -0.33 -0.78 3.00 -0.09 -4.97 116.66 115.35 1r27 n ARG 260 Ca 0.16 -2.13 0.01 0.00 -0.00 0.00 0.00 57.85 55.89 1r27 n ARG 260 Cb 0.58 -0.26 0.06 0.00 0.00 0.00 0.00 32.46 32.84 1r27 n ARG 260 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.63 180.04 1r27 n THR 261 N 0.02 -0.44 0.31 5.15 -1.04 -1.17 -0.97 114.28 116.15 1r27 n THR 261 Ca -0.01 2.04 0.14 0.00 -2.04 0.00 0.00 64.05 64.19 1r27 n THR 261 Cb 0.98 -2.73 0.65 0.00 -1.82 0.00 0.00 70.33 67.41 1r27 n THR 261 CO 0.00 0.00 0.00 1.55 -0.64 0.00 0.00 175.07 175.98 1r27 h PRO 262 N 0.00 0.00 -0.00 -2.82 0.13 -1.91 -2.74 132.00 124.66 1r27 h PRO 262 Ca 0.33 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.46 1r27 h PRO 262 Cb 0.55 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.68 1r27 h PRO 262 CO -0.88 0.00 -0.58 -0.25 -0.23 0.00 0.00 178.00 176.07 1r27 n ASP 263 N -2.56 0.90 -0.30 1.44 8.00 -0.14 -4.57 116.55 119.31 1r27 n ASP 263 Ca 0.00 -0.95 0.20 0.00 0.71 0.00 0.00 54.79 54.76 1r27 n ASP 263 Cb 0.19 0.86 0.48 0.00 -0.02 0.00 0.00 41.12 42.64 1r27 n ASP 263 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1r27 h ALA 264 N 2.16 2.15 -0.17 2.24 0.00 -0.95 -1.61 119.26 123.09 1r27 h ALA 264 Ca 0.00 0.05 0.05 0.00 0.00 0.00 0.00 54.91 55.01 1r27 h ALA 264 Cb 0.38 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 1r27 h ALA 264 CO 0.00 -0.52 0.12 1.12 0.00 0.00 0.00 179.25 179.97 1r27 h HIS 265 N 0.45 0.00 -0.42 0.00 2.07 -1.82 0.21 115.15 115.64 1r27 h HIS 265 Ca 0.56 0.00 -0.01 0.00 -2.85 0.00 0.00 60.37 58.07 1r27 h HIS 265 Cb 1.33 0.00 -0.02 0.00 2.57 0.00 0.00 27.41 31.29 1r27 h HIS 265 CO -0.00 0.00 0.22 0.74 -3.07 0.00 0.00 177.93 175.82 1r27 h PHE 266 N 0.00 0.55 -0.03 6.12 0.04 -1.64 0.21 116.94 122.19 1r27 h PHE 266 Ca 0.08 -0.00 -0.07 0.00 2.80 0.00 0.00 57.97 60.78 1r27 h PHE 266 Cb 0.32 -0.18 0.00 0.00 2.20 0.00 0.00 35.95 38.29 1r27 h PHE 266 CO 0.00 0.40 -0.24 0.35 -0.60 0.00 0.00 178.31 178.22 1r27 h PHE 267 N 0.57 0.30 -0.18 -0.55 3.57 -1.11 -2.36 116.94 117.18 1r27 h PHE 267 Ca 0.15 -0.14 -0.10 0.00 3.53 0.00 0.00 57.97 61.40 1r27 h PHE 267 Cb 0.03 -0.04 -0.01 0.00 2.79 0.00 0.00 35.95 38.71 1r27 h PHE 267 CO 0.00 0.88 -0.34 1.79 -2.23 0.00 0.00 178.31 178.42 1r27 h THR 268 N -0.37 1.28 0.06 4.41 1.35 -1.05 -3.26 112.91 115.34 1r27 h THR 268 Ca -0.02 -1.39 -0.26 0.00 -0.55 0.00 0.00 66.41 64.18 1r27 h THR 268 Cb 0.92 1.52 0.02 0.00 -1.73 0.00 0.00 68.15 68.89 1r27 h THR 268 CO 0.05 0.43 -1.07 -0.33 -0.25 0.00 0.00 175.52 174.35 1r27 h GLU 269 N 0.32 0.62 -0.04 4.72 5.08 -0.66 -3.23 114.58 121.38 1r27 h GLU 269 Ca 0.04 -0.74 0.01 0.00 -1.00 0.00 0.00 59.36 57.67 1r27 h GLU 269 Cb 0.75 0.23 -0.00 0.00 0.50 0.00 0.00 28.75 30.23 1r27 h GLU 269 CO 0.06 1.32 0.06 -0.24 -1.00 0.00 0.00 179.01 179.21 1r27 h VAL 270 N 0.24 0.40 -0.45 3.13 3.04 -1.46 0.13 116.25 121.28 1r27 h VAL 270 Ca -0.15 0.00 0.02 0.00 -1.01 0.00 0.00 66.70 65.56 1r27 h VAL 270 Cb 1.74 0.95 -0.02 0.00 -2.01 0.00 0.00 31.29 31.95 1r27 h VAL 270 CO 0.21 0.00 0.30 0.03 -1.01 0.00 0.00 177.57 177.10 1r27 h ARG 271 N 0.00 0.54 0.00 4.17 3.08 -1.60 0.53 114.38 121.10 1r27 h ARG 271 Ca 0.02 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.04 1r27 h ARG 271 Cb 0.14 -0.12 0.00 0.00 0.08 0.00 0.00 29.97 30.07 1r27 h ARG 271 CO -0.00 0.36 0.00 0.66 -1.07 0.00 0.00 179.97 179.92 1r27 n TYR 272 N -4.47 0.21 0.82 3.04 4.01 0.47 -1.83 117.16 119.41 1r27 n TYR 272 Ca 0.04 0.08 0.11 0.00 -0.16 0.00 0.00 57.90 57.97 1r27 n TYR 272 Cb 0.10 -0.63 0.29 0.00 -0.31 0.00 0.00 39.34 38.80 1r27 n TYR 272 CO 0.00 0.00 0.00 1.17 -0.46 0.00 0.00 176.86 177.57 1r27 n LYS 273 N -1.69 2.06 -0.23 -0.72 4.81 0.17 -4.91 118.16 117.66 1r27 n LYS 273 Ca 0.04 -1.60 0.00 0.00 -0.87 0.00 0.00 58.31 55.88 1r27 n LYS 273 Cb 0.23 -1.44 0.00 0.00 0.02 0.00 0.00 35.03 33.84 1r27 n LYS 273 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1r27 n GLY 274 N 1.28 0.72 3.74 3.14 0.00 -0.76 -5.06 105.19 108.26 1r27 n GLY 274 Ca 0.17 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.78 1r27 n GLY 274 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1r27 s THR 275 N -2.29 3.46 -0.09 2.61 2.01 -1.16 -4.98 115.64 115.22 1r27 s THR 275 Ca 0.00 1.29 -0.12 0.00 0.31 0.00 0.00 61.69 63.17 1r27 s THR 275 Cb 0.00 -3.82 -0.05 0.00 0.01 0.00 0.00 72.50 68.64 1r27 s THR 275 CO 0.00 0.24 0.28 -0.75 -0.69 0.00 0.00 174.62 173.69 1r27 s LYS 276 N -0.61 3.83 -0.02 4.92 2.20 -1.14 -4.46 119.74 124.46 1r27 s LYS 276 Ca 0.51 0.13 0.07 0.00 -0.36 0.00 0.00 55.97 56.32 1r27 s LYS 276 Cb -0.33 -3.26 -0.02 0.00 -1.51 0.00 0.00 37.83 32.71 1r27 s LYS 276 CO 0.39 0.61 -0.24 0.95 -0.36 0.00 0.00 175.35 176.70 1r27 s THR 277 N -0.67 1.88 -0.05 3.43 -4.23 -1.26 -0.99 115.64 113.74 1r27 s THR 277 Ca 0.18 -1.01 0.03 0.00 -1.18 0.00 0.00 61.69 59.72 1r27 s THR 277 Cb -0.14 -1.56 0.00 0.00 1.34 0.00 0.00 72.50 72.14 1r27 s THR 277 CO 0.07 0.53 -0.15 -0.69 -0.54 0.00 0.00 174.62 173.84 1r27 s VAL 278 N -0.47 1.31 -0.19 2.29 1.01 -0.03 -1.04 120.40 123.27 1r27 s VAL 278 Ca 0.07 -0.62 -0.05 0.00 0.00 0.00 0.00 61.98 61.37 1r27 s VAL 278 Cb -0.10 -1.15 -0.03 0.00 0.00 0.00 0.00 36.38 35.11 1r27 s VAL 278 CO -0.00 0.39 -0.00 0.00 0.00 0.00 0.00 175.10 175.48 1r27 s ALA 279 N 0.27 3.06 -0.38 5.51 0.00 0.21 0.37 121.76 130.78 1r27 s ALA 279 Ca -0.08 -0.93 -0.00 0.00 0.00 0.00 0.00 51.96 50.94 1r27 s ALA 279 Cb -0.13 -1.74 0.11 0.00 0.00 0.00 0.00 23.12 21.36 1r27 s ALA 279 CO 0.03 -0.05 0.14 0.08 0.00 0.00 0.00 175.76 175.97 1r27 s VAL 280 N 0.82 2.87 -0.08 0.00 1.01 -0.00 -0.86 120.40 124.15 1r27 s VAL 280 Ca 0.00 -2.19 -0.11 0.00 0.00 0.00 0.00 61.98 59.68 1r27 s VAL 280 Cb -0.14 -3.02 0.03 0.00 0.00 0.00 0.00 36.38 33.24 1r27 s VAL 280 CO 0.02 -0.66 0.28 0.42 0.00 0.00 0.00 175.10 175.17 1r27 s THR 281 N 1.02 0.02 0.41 3.92 -4.23 -0.70 -2.55 115.64 113.53 1r27 s THR 281 Ca 0.10 -0.13 0.16 0.00 -1.18 0.00 0.00 61.69 60.64 1r27 s THR 281 Cb -0.21 -0.45 0.17 0.00 1.34 0.00 0.00 72.50 73.35 1r27 s THR 281 CO -0.06 -0.07 1.94 1.55 -0.54 0.00 0.00 174.62 177.44 1r27 h PRO 282 N 5.28 0.00 -6.06 3.99 0.13 -1.82 -3.33 132.00 130.18 1r27 h PRO 282 Ca -0.27 0.00 -0.55 0.00 -0.87 0.00 0.00 66.00 64.31 1r27 h PRO 282 Cb 1.19 0.00 -0.08 0.00 0.13 0.00 0.00 31.00 32.24 1r27 h PRO 282 CO 0.34 0.24 -0.52 0.16 -0.23 0.00 0.00 178.00 177.99 1r27 s ASP 283 N -6.83 4.65 -1.04 1.44 -4.77 -1.26 -4.61 116.67 104.25 1r27 s ASP 283 Ca -0.03 -0.83 -0.21 0.00 -3.30 0.00 0.00 52.55 48.18 1r27 s ASP 283 Cb 0.15 -0.67 0.08 0.00 -1.09 0.00 0.00 42.92 41.39 1r27 s ASP 283 CO 0.69 -0.36 1.39 -0.47 0.70 0.00 0.00 175.17 177.12 1r27 s TYR 284 N -2.46 2.79 0.81 2.11 5.04 -1.02 -4.97 117.35 119.65 1r27 s TYR 284 Ca 0.39 -1.17 -0.11 0.00 -2.44 0.00 0.00 57.07 53.74 1r27 s TYR 284 Cb -0.01 -4.56 0.11 0.00 0.35 0.00 0.00 41.96 37.84 1r27 s TYR 284 CO 0.23 -1.76 1.16 0.00 -1.34 0.00 0.00 175.55 173.84 1r27 s ALA 285 N 4.01 2.75 0.51 3.97 0.00 -1.26 -4.95 121.76 126.79 1r27 s ALA 285 Ca 0.43 -0.94 0.15 0.00 0.00 0.00 0.00 51.96 51.60 1r27 s ALA 285 Cb -0.01 -2.75 1.22 0.00 0.00 0.00 0.00 23.12 21.58 1r27 s ALA 285 CO -0.07 -1.76 2.13 0.93 0.00 0.00 0.00 175.76 176.99 1r27 h GLU 286 N -1.05 0.03 -0.90 0.00 5.08 -1.93 -2.14 114.58 113.67 1r27 h GLU 286 Ca -0.45 -0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 57.91 1r27 h GLU 286 Cb 1.30 -0.01 -0.04 0.00 0.50 0.00 0.00 28.75 30.50 1r27 h GLU 286 CO 0.55 0.04 0.54 0.97 -1.00 0.00 0.00 179.01 180.11 1r27 h ILE 287 N 0.03 1.25 -0.28 3.13 6.09 -1.89 -2.40 117.51 123.43 1r27 h ILE 287 Ca 0.01 -0.55 0.08 0.00 -1.37 0.00 0.00 64.86 63.03 1r27 h ILE 287 Cb 0.03 -0.01 -0.01 0.00 0.47 0.00 0.00 36.82 37.29 1r27 h ILE 287 CO 0.00 0.26 0.21 0.00 -3.07 0.00 0.00 178.15 175.55 1r27 h ALA 288 N 1.29 2.25 0.00 0.18 0.00 -1.75 -0.40 119.26 120.84 1r27 h ALA 288 Ca 0.32 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.21 1r27 h ALA 288 Cb -0.04 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 17.77 1r27 h ALA 288 CO -0.06 -0.35 -0.06 -0.22 0.00 0.00 0.00 179.25 178.56 1r27 h LYS 289 N 0.00 0.00 -0.01 0.00 3.11 -1.51 -2.75 116.57 115.41 1r27 h LYS 289 Ca 0.13 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 57.97 1r27 h LYS 289 Cb 0.55 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 31.78 1r27 h LYS 289 CO -0.00 0.06 -0.38 1.28 -2.81 0.00 0.00 179.45 177.60 1r27 n LEU 290 N -4.17 1.68 -5.00 5.20 4.77 -0.16 -5.00 117.00 114.32 1r27 n LEU 290 Ca -0.03 -0.58 -0.17 0.00 -0.03 0.00 0.00 56.01 55.20 1r27 n LEU 290 Cb 0.15 -0.04 0.01 0.00 -2.33 0.00 0.00 43.42 41.20 1r27 n LEU 290 CO 0.32 0.31 0.15 0.00 -1.33 0.00 0.00 177.39 176.84 1r27 h ASP 292 N 0.65 0.00 -3.78 0.00 3.32 -1.40 -3.47 116.42 111.74 1r27 h ASP 292 Ca -0.40 0.00 -0.19 0.00 0.02 0.00 0.00 57.03 56.46 1r27 h ASP 292 Cb 1.28 0.00 -0.27 0.00 0.22 0.00 0.00 39.33 40.56 1r27 h ASP 292 CO 0.46 0.17 -0.54 -0.22 -1.72 0.00 0.00 179.24 177.39 1r27 s LEU 293 N -5.52 1.39 -0.22 1.55 2.96 -1.18 -5.05 118.68 112.61 1r27 s LEU 293 Ca -0.01 0.32 0.02 0.00 -0.22 0.00 0.00 54.13 54.23 1r27 s LEU 293 Cb 0.09 0.54 0.05 0.00 0.50 0.00 0.00 46.19 47.36 1r27 s LEU 293 CO 0.79 -0.06 -0.12 0.86 -1.32 0.00 0.00 176.35 176.50 1r27 s TRP 294 N 0.10 2.80 -0.17 5.38 -0.00 -1.26 -0.62 118.94 125.17 1r27 s TRP 294 Ca -0.00 -1.88 -0.04 0.00 -0.00 0.00 0.00 56.10 54.18 1r27 s TRP 294 Cb -0.01 -1.80 -0.03 0.00 -0.00 0.00 0.00 33.47 31.63 1r27 s TRP 294 CO 0.00 -0.81 -0.02 -0.51 -0.00 0.00 0.00 176.95 175.61 1r27 s LEU 295 N 1.27 3.31 -0.75 5.86 1.43 -0.04 -5.00 118.68 124.75 1r27 s LEU 295 Ca -0.03 -0.12 0.03 0.00 -1.03 0.00 0.00 54.13 52.98 1r27 s LEU 295 Cb -0.17 -1.81 0.18 0.00 0.03 0.00 0.00 46.19 44.42 1r27 s LEU 295 CO -0.08 0.15 0.56 0.00 0.23 0.00 0.00 176.35 177.22 1r27 s ALA 296 N 0.46 3.91 0.79 4.21 0.00 -1.25 -1.71 121.76 128.17 1r27 s ALA 296 Ca -0.03 -3.79 -0.12 0.00 0.00 0.00 0.00 51.96 48.03 1r27 s ALA 296 Cb -0.14 -2.38 0.06 0.00 0.00 0.00 0.00 23.12 20.67 1r27 s ALA 296 CO 0.02 -2.11 1.10 -1.25 0.00 0.00 0.00 175.76 173.53 1r27 s PRO 297 N -1.32 2.18 0.25 0.00 0.04 -1.26 -4.77 135.00 130.11 1r27 s PRO 297 Ca 0.25 0.57 -0.30 0.00 0.04 0.00 0.00 61.00 61.55 1r27 s PRO 297 Cb -0.07 -1.94 -0.10 0.00 0.04 0.00 0.00 34.50 32.43 1r27 s PRO 297 CO -0.14 -1.54 1.48 0.21 0.04 0.00 0.00 177.00 177.05 1r27 s LYS 298 N -5.22 4.24 0.46 4.56 2.47 -0.40 -4.03 119.74 121.82 1r27 s LYS 298 Ca 0.60 2.35 -0.25 0.00 -1.56 0.00 0.00 55.97 57.12 1r27 s LYS 298 Cb -0.14 -3.10 -0.08 0.00 -1.46 0.00 0.00 37.83 33.05 1r27 s LYS 298 CO 0.53 -0.47 1.43 0.00 0.16 0.00 0.00 175.35 177.00 1r27 n GLN 299 N 2.47 2.20 0.00 4.03 0.00 -1.26 -2.30 117.38 122.52 1r27 n GLN 299 Ca 0.08 0.78 0.00 0.00 0.00 0.00 0.00 57.00 57.86 1r27 n GLN 299 Cb 0.40 -2.63 0.00 0.00 0.00 0.00 0.00 30.24 28.01 1r27 n GLN 299 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1r27 n GLY 300 N 0.60 2.03 1.21 2.61 0.00 -1.26 -4.87 105.19 105.50 1r27 n GLY 300 Ca 0.06 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.16 1r27 n GLY 300 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1r27 n THR 301 N -2.00 2.45 0.20 2.61 -2.24 -0.97 -4.59 114.28 109.74 1r27 n THR 301 Ca 0.00 -1.75 0.07 0.00 -2.27 0.00 0.00 64.05 60.10 1r27 n THR 301 Cb 0.00 -0.27 0.57 0.00 -2.10 0.00 0.00 70.33 68.53 1r27 n THR 301 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 1r27 h ASP 302 N 2.47 0.09 -0.25 3.42 3.32 -1.90 -2.37 116.42 121.21 1r27 h ASP 302 Ca 0.00 -0.01 -0.04 0.00 0.02 0.00 0.00 57.03 57.01 1r27 h ASP 302 Cb 1.62 -0.02 -0.02 0.00 0.22 0.00 0.00 39.33 41.13 1r27 h ASP 302 CO 0.31 0.11 0.05 0.00 -1.72 0.00 0.00 179.24 177.99 1r27 h ALA 303 N 1.90 1.45 0.04 3.45 0.00 -1.86 -2.38 119.26 121.87 1r27 h ALA 303 Ca 0.03 -0.16 -0.00 0.00 0.00 0.00 0.00 54.91 54.77 1r27 h ALA 303 Cb 0.07 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 17.72 1r27 h ALA 303 CO 0.00 0.40 -0.02 0.00 0.00 0.00 0.00 179.25 179.62 1r27 h ALA 304 N 1.56 -0.06 -0.01 0.00 0.00 -1.80 -0.58 119.26 118.38 1r27 h ALA 304 Ca 0.11 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.96 1r27 h ALA 304 Cb 0.25 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 1r27 h ALA 304 CO 0.00 -0.53 -0.24 1.98 0.00 0.00 0.00 179.25 180.46 1r27 h MET 305 N -0.06 0.02 -0.11 0.00 -1.53 -1.58 -2.08 114.93 109.59 1r27 h MET 305 Ca -0.00 -0.00 -0.19 0.00 -3.44 0.00 0.00 59.70 56.07 1r27 h MET 305 Cb 0.05 -0.00 -0.00 0.00 -0.55 0.00 0.00 31.60 31.10 1r27 h MET 305 CO 0.00 0.26 -0.71 0.00 0.14 0.00 0.00 176.91 176.60 1r27 h ALA 306 N 1.74 0.57 0.28 0.39 0.00 -1.04 -2.34 119.26 118.85 1r27 h ALA 306 Ca 0.00 -0.59 -0.01 0.00 0.00 0.00 0.00 54.91 54.31 1r27 h ALA 306 Cb 0.44 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.17 1r27 h ALA 306 CO 0.03 0.74 -0.13 -0.07 0.00 0.00 0.00 179.25 179.81 1r27 h LEU 307 N 0.35 -0.32 -1.19 0.00 3.38 -0.65 -0.60 115.31 116.28 1r27 h LEU 307 Ca -0.03 -0.13 0.12 0.00 0.09 0.00 0.00 57.88 57.92 1r27 h LEU 307 Cb 1.29 0.08 -0.07 0.00 0.09 0.00 0.00 40.66 42.05 1r27 h LEU 307 CO 0.13 -0.04 0.58 0.00 0.09 0.00 0.00 178.44 179.20 1r27 h ALA 308 N 0.06 1.68 -0.33 1.53 0.00 -1.42 0.17 119.26 120.94 1r27 h ALA 308 Ca -0.04 0.01 -0.16 0.00 0.00 0.00 0.00 54.91 54.72 1r27 h ALA 308 Cb 0.43 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 18.04 1r27 h ALA 308 CO 0.06 0.11 -0.42 0.52 0.00 0.00 0.00 179.25 179.53 1r27 h MET 309 N 0.84 0.87 -0.08 0.00 2.86 -1.28 -2.22 114.93 115.92 1r27 h MET 309 Ca 0.44 -0.49 -0.05 0.00 -2.06 0.00 0.00 59.70 57.54 1r27 h MET 309 Cb 0.52 0.03 -0.01 0.00 0.06 0.00 0.00 31.60 32.20 1r27 h MET 309 CO -0.20 1.13 -0.16 0.78 1.06 0.00 0.00 176.91 179.52 1r27 h GLY 310 N 0.66 0.14 0.79 8.32 0.00 0.16 -1.68 103.07 111.47 1r27 h GLY 310 Ca 0.04 -0.09 -0.00 0.00 0.00 0.00 0.00 47.33 47.28 1r27 h GLY 310 CO 0.10 0.08 0.01 0.84 0.00 0.00 0.00 176.54 177.57 1r27 h HIS 311 N 0.13 0.04 -0.48 5.60 6.17 -0.38 -1.27 115.15 124.96 1r27 h HIS 311 Ca 0.02 -0.00 -0.04 0.00 0.71 0.00 0.00 60.37 61.06 1r27 h HIS 311 Cb 0.37 -0.01 -0.02 0.00 2.52 0.00 0.00 27.41 30.26 1r27 h HIS 311 CO 0.00 0.24 0.14 0.28 0.71 0.00 0.00 177.93 179.31 1r27 h VAL 312 N -0.17 1.20 -0.01 5.26 2.07 -1.07 -1.54 116.25 121.98 1r27 h VAL 312 Ca 0.01 -0.67 -0.00 0.00 0.82 0.00 0.00 66.70 66.85 1r27 h VAL 312 Cb 0.22 0.68 -0.00 0.00 -1.52 0.00 0.00 31.29 30.67 1r27 h VAL 312 CO -0.00 0.25 -0.00 0.24 0.02 0.00 0.00 177.57 178.08 1r27 h MET 313 N 0.69 0.02 -0.45 1.57 2.86 -1.11 -1.15 114.93 117.36 1r27 h MET 313 Ca 0.16 -0.01 -0.01 0.00 -2.06 0.00 0.00 59.70 57.78 1r27 h MET 313 Cb 0.22 -0.00 -0.02 0.00 0.06 0.00 0.00 31.60 31.85 1r27 h MET 313 CO -0.01 0.33 0.24 -0.07 1.06 0.00 0.00 176.91 178.46 1r27 h LEU 314 N -0.28 0.56 -0.25 1.22 3.38 -1.14 0.33 115.31 119.13 1r27 h LEU 314 Ca 0.00 -0.10 0.02 0.00 0.09 0.00 0.00 57.88 57.90 1r27 h LEU 314 Cb 0.32 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 40.90 1r27 h LEU 314 CO 0.00 0.50 0.09 -0.09 0.09 0.00 0.00 178.44 179.03 1r27 h ARG 315 N 0.58 0.20 0.00 1.13 9.65 -1.24 -1.28 114.38 123.42 1r27 h ARG 315 Ca 0.16 -0.01 -0.18 0.00 -1.10 0.00 0.00 59.98 58.85 1r27 h ARG 315 Cb 0.07 -0.05 -0.03 0.00 -1.39 0.00 0.00 29.97 28.57 1r27 h ARG 315 CO -0.02 0.13 -1.70 0.39 2.80 0.00 0.00 179.97 181.57 1r27 n GLU 316 N -5.02 0.64 0.00 0.20 1.02 -0.44 -1.22 120.64 115.82 1r27 n GLU 316 Ca -0.02 0.10 0.06 0.00 -0.02 0.00 0.00 57.16 57.28 1r27 n GLU 316 Cb 0.08 -1.70 0.02 0.00 -0.02 0.00 0.00 31.44 29.82 1r27 n GLU 316 CO 0.00 0.00 0.00 1.19 1.18 0.00 0.00 177.13 179.50 1r27 n PHE 317 N -2.75 0.00 0.02 -0.32 3.72 0.11 -3.03 117.46 115.21 1r27 n PHE 317 Ca -0.13 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.27 1r27 n PHE 317 Cb 0.85 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.39 1r27 n PHE 317 CO 0.00 0.00 0.00 0.72 -0.05 0.00 0.00 176.76 177.43 1r27 n HIS 318 N 0.16 -0.02 0.00 1.38 8.25 -0.91 -1.62 115.22 122.47 1r27 n HIS 318 Ca 0.06 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.52 1r27 n HIS 318 Cb 0.26 0.01 0.00 0.00 1.12 0.00 0.00 29.99 31.39 1r27 n HIS 318 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 1r27 n LEU 319 N -3.16 0.37 -0.14 2.41 4.32 -0.53 -3.57 117.00 116.70 1r27 n LEU 319 Ca 0.00 0.38 -0.04 0.00 -0.02 0.00 0.00 56.01 56.33 1r27 n LEU 319 Cb 0.32 -0.43 0.04 0.00 -1.62 0.00 0.00 43.42 41.74 1r27 n LEU 319 CO 0.00 -0.43 0.94 0.44 -1.22 0.00 0.00 177.39 177.12 1r27 h ASP 320 N 0.00 0.12 -2.25 -1.43 5.19 -1.40 -3.34 116.42 113.31 1r27 h ASP 320 Ca 0.00 0.06 -0.58 0.00 -0.62 0.00 0.00 57.03 55.89 1r27 h ASP 320 Cb 0.00 0.06 -0.39 0.00 0.18 0.00 0.00 39.33 39.18 1r27 h ASP 320 CO 0.00 0.10 -0.99 0.59 -3.12 0.00 0.00 179.24 175.82 1r27 n ASN 321 N -5.04 0.17 -4.61 6.45 4.13 -1.17 -5.06 115.26 110.14 1r27 n ASN 321 Ca 0.04 -2.60 -0.61 0.00 1.68 0.00 0.00 54.58 53.09 1r27 n ASN 321 Cb 0.18 -0.60 -0.08 0.00 -1.54 0.00 0.00 39.78 37.73 1r27 n ASN 321 CO 0.00 0.00 0.00 -2.65 0.28 0.00 0.00 177.26 174.89 1r27 n PRO 322 N 2.12 0.20 -3.19 3.52 -0.02 -1.23 -4.40 135.00 131.99 1r27 n PRO 322 Ca 0.26 0.07 -0.39 0.00 -2.02 0.00 0.00 63.50 61.42 1r27 n PRO 322 Cb 0.49 -1.60 -0.06 0.00 -0.02 0.00 0.00 33.50 32.31 1r27 n PRO 322 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 1r27 s SER 323 N 1.28 6.71 0.20 2.55 0.15 -0.64 -4.96 113.70 119.00 1r27 s SER 323 Ca 0.95 0.86 -0.08 0.00 0.70 0.00 0.00 55.95 58.38 1r27 s SER 323 Cb -1.30 -2.33 0.12 0.00 -1.71 0.00 0.00 66.02 60.80 1r27 s SER 323 CO 0.65 -0.15 1.71 0.06 1.20 0.00 0.00 173.24 176.71 1r27 h GLN 324 N 7.13 1.13 0.42 5.44 3.07 -1.91 -1.27 115.11 129.13 1r27 h GLN 324 Ca -0.36 -0.28 -0.02 0.00 0.09 0.00 0.00 58.65 58.07 1r27 h GLN 324 Cb 1.16 -0.14 0.00 0.00 0.08 0.00 0.00 27.48 28.59 1r27 h GLN 324 CO 0.76 1.01 -0.20 -0.92 0.09 0.00 0.00 178.83 179.56 1r27 h TYR 325 N 1.06 -0.52 -0.68 0.06 3.20 -1.93 -2.16 116.97 116.01 1r27 h TYR 325 Ca 0.22 -0.01 -0.01 0.00 3.14 0.00 0.00 58.73 62.06 1r27 h TYR 325 Cb 0.40 0.17 -0.03 0.00 1.54 0.00 0.00 36.73 38.81 1r27 h TYR 325 CO 0.03 -0.29 0.37 0.74 -1.64 0.00 0.00 178.16 177.37 1r27 h PHE 326 N -0.62 0.93 -0.17 -3.82 0.04 -1.85 -1.77 116.94 109.68 1r27 h PHE 326 Ca -0.06 -0.02 -0.01 0.00 2.80 0.00 0.00 57.97 60.68 1r27 h PHE 326 Cb 0.47 -0.30 -0.01 0.00 2.20 0.00 0.00 35.95 38.31 1r27 h PHE 326 CO -0.03 0.66 0.08 1.15 -0.60 0.00 0.00 178.31 179.57 1r27 h THR 327 N 0.93 1.12 -0.61 -1.55 2.02 -1.22 -1.21 112.91 112.39 1r27 h THR 327 Ca 0.24 -0.35 -0.01 0.00 0.77 0.00 0.00 66.41 67.06 1r27 h THR 327 Cb 0.04 1.05 -0.03 0.00 -1.74 0.00 0.00 68.15 67.47 1r27 h THR 327 CO -0.04 0.12 0.35 -0.78 0.37 0.00 0.00 175.52 175.54 1r27 h ASP 328 N 0.15 0.74 0.49 4.18 3.58 -1.31 -2.31 116.42 121.94 1r27 h ASP 328 Ca 0.06 -0.07 -0.01 0.00 0.42 0.00 0.00 57.03 57.42 1r27 h ASP 328 Cb 0.11 -0.19 -0.02 0.00 1.72 0.00 0.00 39.33 40.96 1r27 h ASP 328 CO -0.01 0.60 -0.43 0.22 -2.88 0.00 0.00 179.24 176.74 1r27 h TYR 329 N 0.82 -1.17 0.00 0.28 3.20 -1.03 -1.94 116.97 117.13 1r27 h TYR 329 Ca 0.22 0.00 -0.01 0.00 3.14 0.00 0.00 58.73 62.08 1r27 h TYR 329 Cb 0.00 0.45 -0.00 0.00 1.54 0.00 0.00 36.73 38.72 1r27 h TYR 329 CO -0.02 -0.60 -0.07 -0.39 -1.64 0.00 0.00 178.16 175.44 1r27 h VAL 330 N -0.92 0.55 -0.19 1.81 -1.51 -1.20 0.11 116.25 114.89 1r27 h VAL 330 Ca -0.05 -0.30 -0.14 0.00 -1.23 0.00 0.00 66.70 64.98 1r27 h VAL 330 Cb 0.79 1.19 0.00 0.00 -2.13 0.00 0.00 31.29 31.15 1r27 h VAL 330 CO -0.03 0.07 -0.42 -0.09 -1.23 0.00 0.00 177.57 175.87 1r27 h ARG 331 N 0.00 0.62 0.00 5.19 2.43 -1.01 -2.97 114.38 118.64 1r27 h ARG 331 Ca -0.00 -0.41 -0.23 0.00 -0.81 0.00 0.00 59.98 58.53 1r27 h ARG 331 Cb 0.19 0.06 -0.04 0.00 -0.42 0.00 0.00 29.97 29.75 1r27 h ARG 331 CO 0.01 1.03 -1.61 0.54 -1.51 0.00 0.00 179.97 178.43 1r27 n ARG 332 N -4.23 0.63 -0.06 0.20 1.74 -0.76 -4.52 116.66 109.65 1r27 n ARG 332 Ca -0.06 0.24 0.06 0.00 -0.77 0.00 0.00 57.85 57.32 1r27 n ARG 332 Cb 0.55 -1.78 0.08 0.00 -1.02 0.00 0.00 32.46 30.29 1r27 n ARG 332 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77 1r27 n TYR 333 N -2.94 0.16 -4.55 -1.55 4.01 0.36 -4.99 117.16 107.65 1r27 n TYR 333 Ca -0.14 -0.17 -0.26 0.00 -0.16 0.00 0.00 57.90 57.17 1r27 n TYR 333 Cb 0.95 -0.01 -0.09 0.00 -0.31 0.00 0.00 39.34 39.88 1r27 n TYR 333 CO 0.00 0.00 0.00 0.95 -0.46 0.00 0.00 176.86 177.35 1r27 s THR 334 N -0.96 1.14 -1.11 -0.72 -4.23 -1.12 -1.34 115.64 107.29 1r27 s THR 334 Ca 0.17 -2.00 0.15 0.00 -1.18 0.00 0.00 61.69 58.83 1r27 s THR 334 Cb 0.10 -2.58 0.62 0.00 1.34 0.00 0.00 72.50 71.99 1r27 s THR 334 CO 0.15 0.00 1.49 -0.90 -0.54 0.00 0.00 174.62 174.82 1r27 n ASP 335 N -1.02 4.18 -0.12 3.99 5.75 -1.14 -4.48 116.55 123.71 1r27 n ASP 335 Ca -0.07 -2.42 0.04 0.00 -0.01 0.00 0.00 54.79 52.33 1r27 n ASP 335 Cb 0.66 -0.54 0.35 0.00 -1.03 0.00 0.00 41.12 40.56 1r27 n ASP 335 CO 0.00 0.00 0.00 0.24 -0.11 0.00 0.00 177.20 177.33 1r27 h MET 336 N 3.42 0.72 0.00 0.11 2.86 -1.88 -1.37 114.93 118.80 1r27 h MET 336 Ca 0.00 -0.04 -0.00 0.00 -2.06 0.00 0.00 59.70 57.60 1r27 h MET 336 Cb 1.32 -0.16 -0.00 0.00 0.06 0.00 0.00 31.60 32.81 1r27 h MET 336 CO 0.23 0.48 -0.00 -1.35 1.06 0.00 0.00 176.91 177.32 1r27 h PRO 337 N 0.75 0.00 -7.09 -0.22 0.11 -1.79 -0.30 132.00 123.45 1r27 h PRO 337 Ca 0.23 0.00 -0.55 0.00 0.11 0.00 0.00 66.00 65.80 1r27 h PRO 337 Cb 0.02 0.00 0.14 0.00 0.11 0.00 0.00 31.00 31.27 1r27 h PRO 337 CO -0.06 0.00 0.52 -1.64 -0.21 0.00 0.00 178.00 176.61 1r27 s MET 338 N -3.58 2.85 -0.09 1.05 -1.94 -0.52 -4.38 119.30 112.69 1r27 s MET 338 Ca 0.02 2.01 -0.10 0.00 -1.71 0.00 0.00 55.69 55.92 1r27 s MET 338 Cb 0.08 -1.97 -0.05 0.00 2.01 0.00 0.00 34.83 34.90 1r27 s MET 338 CO 0.57 -1.35 0.23 -0.51 -0.01 0.00 0.00 175.02 173.94 1r27 s LEU 339 N -4.06 4.39 -0.10 -0.03 1.43 -0.04 -1.59 118.68 118.69 1r27 s LEU 339 Ca 0.78 0.60 0.02 0.00 -1.03 0.00 0.00 54.13 54.50 1r27 s LEU 339 Cb -0.35 -2.24 -0.02 0.00 0.03 0.00 0.00 46.19 43.61 1r27 s LEU 339 CO 0.39 0.35 -0.16 -0.69 0.23 0.00 0.00 176.35 176.47 1r27 s VAL 340 N -0.87 2.87 0.32 -1.59 1.01 0.58 -0.93 120.40 121.81 1r27 s VAL 340 Ca 0.17 -0.75 -0.22 0.00 0.00 0.00 0.00 61.98 61.18 1r27 s VAL 340 Cb -0.13 -2.16 -0.10 0.00 0.00 0.00 0.00 36.38 33.99 1r27 s VAL 340 CO 0.06 0.55 0.87 -0.04 0.00 0.00 0.00 175.10 176.54 1r27 s MET 341 N -0.03 4.35 -0.14 2.72 1.00 -0.60 -2.20 119.30 124.40 1r27 s MET 341 Ca -0.04 1.09 -0.05 0.00 0.00 0.00 0.00 55.69 56.68 1r27 s MET 341 Cb -0.14 -2.62 -0.04 0.00 0.00 0.00 0.00 34.83 32.03 1r27 s MET 341 CO 0.04 0.22 0.06 -0.51 0.00 0.00 0.00 175.02 174.83 1r27 s LEU 342 N -2.42 3.87 -0.19 -0.03 1.43 -0.31 0.21 118.68 121.24 1r27 s LEU 342 Ca 0.52 0.19 -0.12 0.00 -1.03 0.00 0.00 54.13 53.69 1r27 s LEU 342 Cb -0.15 -1.94 -0.05 0.00 0.03 0.00 0.00 46.19 44.08 1r27 s LEU 342 CO 0.20 0.30 0.24 -1.61 0.23 0.00 0.00 176.35 175.70 1r27 s GLU 343 N -0.38 4.20 -0.06 1.70 2.02 0.21 -4.62 118.70 121.77 1r27 s GLU 343 Ca 0.09 -0.04 -0.30 0.00 0.02 0.00 0.00 54.97 54.74 1r27 s GLU 343 Cb -0.12 -3.45 -0.03 0.00 0.10 0.00 0.00 34.13 30.62 1r27 s GLU 343 CO 0.02 0.20 1.23 -2.00 0.02 0.00 0.00 175.26 174.73 1r27 s GLU 344 N 0.62 4.33 0.00 1.61 2.12 -1.26 -0.00 118.70 126.12 1r27 s GLU 344 Ca 0.13 1.70 0.00 0.00 0.36 0.00 0.00 54.97 57.16 1r27 s GLU 344 Cb -0.13 -3.59 0.00 0.00 0.26 0.00 0.00 34.13 30.68 1r27 s GLU 344 CO 0.03 -0.49 0.00 0.54 -0.54 0.00 0.00 175.26 174.79 1r27 n ARG 345 N 5.39 1.98 -2.58 4.30 5.12 0.87 -4.92 116.66 126.82 1r27 n ARG 345 Ca 0.12 0.00 -0.42 0.00 -1.93 0.00 0.00 57.85 55.61 1r27 n ARG 345 Cb 0.46 0.00 -0.01 0.00 -1.16 0.00 0.00 32.46 31.74 1r27 n ARG 345 CO 0.00 0.00 0.00 0.34 -1.93 0.00 0.00 177.63 176.04 1r27 s ASP 346 N -0.85 6.69 0.00 0.55 2.15 -1.26 -3.69 116.67 120.25 1r27 s ASP 346 Ca 0.00 -2.01 0.00 0.00 0.43 0.00 0.00 52.55 50.97 1r27 s ASP 346 Cb 0.00 -2.57 0.00 0.00 -0.30 0.00 0.00 42.92 40.05 1r27 s ASP 346 CO 0.00 -1.32 0.00 0.61 -0.17 0.00 0.00 175.17 174.29 1r27 n GLY 347 N 6.05 0.86 2.86 2.66 0.00 -1.26 -5.03 105.19 111.33 1r27 n GLY 347 Ca 0.42 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.45 1r27 n GLY 347 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 173.32 174.90 1r27 n TYR 348 N -2.16 -0.53 -4.42 1.61 0.18 -1.24 -4.99 117.16 105.61 1r27 n TYR 348 Ca 0.00 -0.62 -0.24 0.00 1.88 0.00 0.00 57.90 58.92 1r27 n TYR 348 Cb 0.00 0.29 -0.10 0.00 -0.38 0.00 0.00 39.34 39.15 1r27 n TYR 348 CO 0.00 0.00 0.00 0.71 -2.08 0.00 0.00 176.86 175.49 1r27 s TYR 349 N -2.54 2.40 -0.08 -3.48 2.02 -0.26 -0.09 117.35 115.32 1r27 s TYR 349 Ca 0.20 -0.30 0.04 0.00 -0.37 0.00 0.00 57.07 56.64 1r27 s TYR 349 Cb -0.01 -1.06 0.00 0.00 -0.40 0.00 0.00 41.96 40.49 1r27 s TYR 349 CO 0.01 0.67 -0.21 0.00 -1.57 0.00 0.00 175.55 174.45 1r27 s ALA 350 N -2.35 1.89 0.01 3.71 0.00 0.99 -1.10 121.76 124.91 1r27 s ALA 350 Ca 0.29 -0.82 -0.30 0.00 0.00 0.00 0.00 51.96 51.13 1r27 s ALA 350 Cb -0.06 -0.70 -0.07 0.00 0.00 0.00 0.00 23.12 22.30 1r27 s ALA 350 CO 0.16 0.27 1.65 0.00 0.00 0.00 0.00 175.76 177.84 1r27 s ALA 351 N 0.30 3.64 0.00 0.00 0.00 -1.26 0.65 121.76 125.08 1r27 s ALA 351 Ca -0.14 1.08 0.00 0.00 0.00 0.00 0.00 51.96 52.90 1r27 s ALA 351 Cb -0.16 -3.72 0.00 0.00 0.00 0.00 0.00 23.12 19.24 1r27 s ALA 351 CO 0.06 -1.24 0.00 0.41 0.00 0.00 0.00 175.76 174.99 1r27 n GLY 352 N 4.06 2.76 3.79 0.00 0.00 0.13 -4.84 105.19 111.08 1r27 n GLY 352 Ca 0.16 -1.84 -0.31 0.00 0.00 0.00 0.00 46.02 44.03 1r27 n GLY 352 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1r27 s ARG 353 N 3.79 2.58 0.35 1.61 1.70 -1.26 -4.55 118.95 123.16 1r27 s ARG 353 Ca 0.00 1.10 -0.27 0.00 -0.47 0.00 0.00 55.73 56.09 1r27 s ARG 353 Cb 0.00 -1.94 -0.09 0.00 -0.57 0.00 0.00 34.95 32.35 1r27 s ARG 353 CO 0.00 -1.39 1.14 -1.64 -1.08 0.00 0.00 175.30 172.33 1r27 s MET 354 N -4.89 4.33 0.47 3.89 -1.94 -1.26 -1.56 119.30 118.34 1r27 s MET 354 Ca 0.60 1.81 -0.24 0.00 -1.71 0.00 0.00 55.69 56.16 1r27 s MET 354 Cb -0.16 -2.90 -0.07 0.00 2.01 0.00 0.00 34.83 33.71 1r27 s MET 354 CO 0.54 -0.07 1.34 -1.17 -0.01 0.00 0.00 175.02 175.65 1r27 s LEU 355 N -2.03 4.05 0.25 -0.03 2.96 -0.10 -4.82 118.68 118.95 1r27 s LEU 355 Ca 0.51 2.72 0.11 0.00 -0.22 0.00 0.00 54.13 57.25 1r27 s LEU 355 Cb -0.31 -4.07 -0.05 0.00 0.50 0.00 0.00 46.19 42.26 1r27 s LEU 355 CO 0.39 -1.18 -0.18 -0.13 -1.32 0.00 0.00 176.35 173.93 1r27 s ARG 356 N -2.57 1.57 0.41 1.98 1.81 -1.26 -3.38 118.95 117.50 1r27 s ARG 356 Ca 0.63 -1.71 0.08 0.00 -1.72 0.00 0.00 55.73 53.01 1r27 s ARG 356 Cb -0.39 -1.58 0.86 0.00 -0.45 0.00 0.00 34.95 33.39 1r27 s ARG 356 CO 0.49 0.29 2.04 0.00 -0.68 0.00 0.00 175.30 177.43 1r27 h ALA 357 N 2.39 1.75 0.00 2.13 0.00 -0.94 -1.49 119.26 123.10 1r27 h ALA 357 Ca -0.40 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.49 1r27 h ALA 357 Cb 1.25 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.88 1r27 h ALA 357 CO 0.60 0.21 0.00 0.00 0.00 0.00 0.00 179.25 180.06 1r27 h ALA 358 N 1.72 1.00 0.00 0.00 0.00 -1.61 -2.58 119.26 117.79 1r27 h ALA 358 Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.10 1r27 h ALA 358 Cb 0.06 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.85 1r27 h ALA 358 CO -0.05 0.00 -0.02 -0.25 0.00 0.00 0.00 179.25 178.94 1r27 n ASP 359 N -2.44 0.27 -4.84 0.00 8.00 -0.56 -4.78 116.55 112.21 1r27 n ASP 359 Ca 0.00 0.50 -0.22 0.00 0.71 0.00 0.00 54.79 55.79 1r27 n ASP 359 Cb 0.15 -0.57 -0.04 0.00 -0.02 0.00 0.00 41.12 40.64 1r27 n ASP 359 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1r27 s LEU 360 N -3.49 3.88 0.35 0.64 1.43 -0.97 -1.27 118.68 119.24 1r27 s LEU 360 Ca 0.13 -0.21 -0.28 0.00 -1.03 0.00 0.00 54.13 52.74 1r27 s LEU 360 Cb 0.17 -2.41 -0.11 0.00 0.03 0.00 0.00 46.19 43.87 1r27 s LEU 360 CO 0.56 -0.04 1.42 0.68 0.23 0.00 0.00 176.35 179.19 1r27 s VAL 361 N -2.10 2.35 0.00 -1.59 -7.23 -1.26 -0.71 120.40 109.86 1r27 s VAL 361 Ca 0.33 0.35 0.00 0.00 -1.81 0.00 0.00 61.98 60.85 1r27 s VAL 361 Cb -0.08 -3.22 0.00 0.00 0.56 0.00 0.00 36.38 33.64 1r27 s VAL 361 CO 0.25 0.08 0.00 0.47 -0.31 0.00 0.00 175.10 175.59 1r27 n ASP 362 N 0.77 -2.30 -2.50 4.85 8.00 -1.26 -3.08 116.55 121.04 1r27 n ASP 362 Ca 0.01 0.00 -0.15 0.00 0.71 0.00 0.00 54.79 55.36 1r27 n ASP 362 Cb 0.40 -1.61 -0.01 0.00 -0.02 0.00 0.00 41.12 39.89 1r27 n ASP 362 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1r27 n ALA 363 N 1.00 -0.77 -1.79 2.24 0.00 0.11 -0.43 120.51 120.87 1r27 n ALA 363 Ca 0.00 0.12 -0.21 0.00 0.00 0.00 0.00 53.44 53.35 1r27 n ALA 363 Cb 0.13 -1.77 -0.07 0.00 0.00 0.00 0.00 19.45 17.74 1r27 n ALA 363 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 1r27 n LEU 364 N -2.93 -1.61 0.00 0.00 7.94 -1.18 -1.72 117.00 117.51 1r27 n LEU 364 Ca -0.16 0.39 0.00 0.00 -1.11 0.00 0.00 56.01 55.13 1r27 n LEU 364 Cb 0.62 -2.86 0.00 0.00 0.53 0.00 0.00 43.42 41.71 1r27 n LEU 364 CO 0.22 -0.88 0.00 0.61 -1.11 0.00 0.00 177.39 176.23 1r27 n GLY 365 N -0.57 0.72 3.54 -3.96 0.00 0.43 -4.82 105.19 100.52 1r27 n GLY 365 Ca -0.22 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.39 1r27 n GLY 365 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1r27 s GLN 366 N -0.28 3.50 0.02 1.61 -1.52 -0.70 -4.93 119.66 117.36 1r27 s GLN 366 Ca 0.00 -0.35 0.10 0.00 -1.95 0.00 0.00 55.36 53.16 1r27 s GLN 366 Cb 0.00 -3.84 -0.22 0.00 -0.22 0.00 0.00 33.01 28.73 1r27 s GLN 366 CO 0.00 -0.65 0.91 1.05 -0.25 0.00 0.00 175.29 176.35 1r27 h GLU 367 N 8.52 0.01 -5.30 2.91 9.09 -1.92 -3.40 114.58 124.49 1r27 h GLU 367 Ca -0.28 -0.01 -0.62 0.00 0.05 0.00 0.00 59.36 58.50 1r27 h GLU 367 Cb 1.13 0.00 -0.16 0.00 -1.65 0.00 0.00 28.75 28.07 1r27 h GLU 367 CO 0.76 0.71 -0.57 1.21 0.05 0.00 0.00 179.01 181.16 1r27 s ASN 368 N -6.35 5.58 -1.43 3.06 2.47 -1.26 -4.67 114.94 112.33 1r27 s ASN 368 Ca -0.03 0.07 -0.02 0.00 0.42 0.00 0.00 52.86 53.31 1r27 s ASN 368 Cb 0.09 -1.95 0.02 0.00 -1.45 0.00 0.00 41.25 37.96 1r27 s ASN 368 CO 0.82 0.18 0.05 0.59 -3.72 0.00 0.00 177.10 175.02 1r27 n ASN 369 N 3.49 0.65 0.30 -4.21 3.02 -1.26 -4.81 115.26 112.43 1r27 n ASN 369 Ca -0.17 -1.16 0.16 0.00 -0.03 0.00 0.00 54.58 53.39 1r27 n ASN 369 Cb 0.52 -1.44 0.94 0.00 -0.61 0.00 0.00 39.78 39.19 1r27 n ASN 369 CO 0.00 0.00 0.00 1.55 -2.62 0.00 0.00 177.26 176.19 1r27 h PRO 370 N -1.47 0.00 0.00 3.52 0.13 -1.83 -1.19 132.00 131.16 1r27 h PRO 370 Ca -0.59 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.54 1r27 h PRO 370 Cb 1.27 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.40 1r27 h PRO 370 CO 0.66 0.02 0.00 -0.85 -0.23 0.00 0.00 178.00 177.60 1r27 n GLU 371 N -3.68 0.01 -0.34 0.86 0.00 -1.26 -1.93 120.64 114.30 1r27 n GLU 371 Ca -0.03 0.07 0.09 0.00 0.00 0.00 0.00 57.16 57.29 1r27 n GLU 371 Cb 0.11 -1.51 0.22 0.00 0.00 0.00 0.00 31.44 30.26 1r27 n GLU 371 CO 0.00 0.00 0.00 0.91 0.00 0.00 0.00 177.13 178.04 1r27 n TRP 372 N -1.52 0.68 -4.09 -1.84 7.02 -0.45 -4.86 117.44 112.38 1r27 n TRP 372 Ca 0.06 -0.89 -0.33 0.00 -1.02 0.00 0.00 57.50 55.32 1r27 n TRP 372 Cb 0.30 -0.26 -0.16 0.00 -2.42 0.00 0.00 31.31 28.77 1r27 n TRP 372 CO 0.00 0.00 0.00 0.15 -2.02 0.00 0.00 177.69 175.82 1r27 s LYS 373 N -2.75 3.09 0.72 -0.99 1.02 -1.19 -1.65 119.74 117.98 1r27 s LYS 373 Ca 0.38 -0.78 -0.11 0.00 0.02 0.00 0.00 55.97 55.48 1r27 s LYS 373 Cb 0.31 -2.67 0.02 0.00 -0.52 0.00 0.00 37.83 34.98 1r27 s LYS 373 CO 0.08 -0.20 1.07 0.95 -0.92 0.00 0.00 175.35 176.33 1r27 s THR 374 N 1.31 3.83 0.07 2.17 -4.23 -1.26 -1.68 115.64 115.86 1r27 s THR 374 Ca 0.05 0.59 0.06 0.00 -1.18 0.00 0.00 61.69 61.21 1r27 s THR 374 Cb -0.13 -3.32 -0.03 0.00 1.34 0.00 0.00 72.50 70.36 1r27 s THR 374 CO -0.10 -0.78 -0.16 -0.69 -0.54 0.00 0.00 174.62 172.35 1r27 s VAL 375 N -3.05 1.24 0.18 2.29 1.01 -1.22 -4.15 120.40 116.70 1r27 s VAL 375 Ca 0.59 -1.31 -0.08 0.00 0.00 0.00 0.00 61.98 61.18 1r27 s VAL 375 Cb -0.14 -1.17 -0.01 0.00 0.00 0.00 0.00 36.38 35.06 1r27 s VAL 375 CO 0.55 -0.15 0.28 0.00 0.00 0.00 0.00 175.10 175.78 1r27 s ALA 376 N -1.18 0.15 -0.08 5.51 0.00 -0.64 -0.86 121.76 124.65 1r27 s ALA 376 Ca 0.00 -1.01 -0.16 0.00 0.00 0.00 0.00 51.96 50.80 1r27 s ALA 376 Cb -0.10 0.95 -0.05 0.00 0.00 0.00 0.00 23.12 23.92 1r27 s ALA 376 CO 0.02 -0.66 0.41 -0.06 0.00 0.00 0.00 175.76 175.47 1r27 s PHE 377 N -4.00 3.58 0.72 0.00 0.08 -1.26 -0.43 117.98 116.67 1r27 s PHE 377 Ca 0.21 0.86 -0.12 0.00 0.12 0.00 0.00 56.93 58.00 1r27 s PHE 377 Cb 0.03 -2.40 0.17 0.00 -0.57 0.00 0.00 43.02 40.25 1r27 s PHE 377 CO 0.03 0.37 0.85 0.27 -0.10 0.00 0.00 175.22 176.64 1r27 n ASN 378 N 2.94 -0.54 0.13 1.36 0.23 0.11 -0.24 115.26 119.25 1r27 n ASN 378 Ca -0.11 -1.20 0.12 0.00 -0.53 0.00 0.00 54.58 52.86 1r27 n ASN 378 Cb 0.52 -0.69 0.49 0.00 -2.08 0.00 0.00 39.78 38.02 1r27 n ASN 378 CO 0.00 0.00 0.00 1.07 -0.93 0.00 0.00 177.26 177.40 1r27 n THR 379 N -3.54 0.85 -0.97 5.53 5.66 0.15 -2.58 114.28 119.38 1r27 n THR 379 Ca 0.11 0.27 0.05 0.00 -3.05 0.00 0.00 64.05 61.42 1r27 n THR 379 Cb 0.40 -1.20 0.35 0.00 -1.55 0.00 0.00 70.33 68.33 1r27 n THR 379 CO 0.00 0.00 0.00 0.59 -3.05 0.00 0.00 175.07 172.61 1r27 n ASN 380 N -2.23 5.09 -0.17 1.09 3.02 -1.26 -4.94 115.26 115.86 1r27 n ASN 380 Ca 0.02 -3.03 -0.02 0.00 -0.03 0.00 0.00 54.58 51.52 1r27 n ASN 380 Cb 0.21 -0.66 -0.01 0.00 -0.61 0.00 0.00 39.78 38.71 1r27 n ASN 380 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1r27 n GLY 381 N 0.17 0.51 3.86 7.41 0.00 -1.07 -5.01 105.19 111.07 1r27 n GLY 381 Ca 0.29 -0.20 -0.37 0.00 0.00 0.00 0.00 46.02 45.74 1r27 n GLY 381 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1r27 s GLU 382 N -1.30 3.57 0.15 1.61 2.02 -1.26 -4.84 118.70 118.65 1r27 s GLU 382 Ca 0.00 -0.03 -0.30 0.00 0.02 0.00 0.00 54.97 54.66 1r27 s GLU 382 Cb 0.00 -3.21 -0.07 0.00 0.10 0.00 0.00 34.13 30.95 1r27 s GLU 382 CO 0.00 0.74 1.06 -1.64 0.02 0.00 0.00 175.26 175.44 1r27 s MET 383 N -0.97 4.63 0.03 1.61 -1.94 -1.26 0.04 119.30 121.44 1r27 s MET 383 Ca 0.16 1.63 0.00 0.00 -1.71 0.00 0.00 55.69 55.78 1r27 s MET 383 Cb -0.13 -3.31 -0.02 0.00 2.01 0.00 0.00 34.83 33.38 1r27 s MET 383 CO 0.06 0.12 -0.04 0.14 -0.01 0.00 0.00 175.02 175.29 1r27 s VAL 384 N -0.15 0.24 -0.54 -6.03 -7.23 0.43 -4.90 120.40 102.21 1r27 s VAL 384 Ca 0.49 -1.11 -0.09 0.00 -1.81 0.00 0.00 61.98 59.45 1r27 s VAL 384 Cb -0.27 -0.57 0.14 0.00 0.56 0.00 0.00 36.38 36.24 1r27 s VAL 384 CO 0.33 -0.56 0.42 0.00 -0.31 0.00 0.00 175.10 174.97 1r27 s ALA 385 N -1.88 3.51 0.57 1.32 0.00 -1.26 -1.62 121.76 122.40 1r27 s ALA 385 Ca -0.10 -2.72 -0.20 0.00 0.00 0.00 0.00 51.96 48.93 1r27 s ALA 385 Cb -0.07 -2.91 -0.04 0.00 0.00 0.00 0.00 23.12 20.10 1r27 s ALA 385 CO -0.02 -1.98 1.25 -2.14 0.00 0.00 0.00 175.76 172.87 1r27 s PRO 386 N 1.05 3.07 0.58 0.00 0.02 -1.26 0.27 135.00 138.73 1r27 s PRO 386 Ca 0.08 1.96 -0.20 0.00 0.02 0.00 0.00 61.00 62.86 1r27 s PRO 386 Cb -0.24 -2.07 -0.04 0.00 0.02 0.00 0.00 34.50 32.18 1r27 s PRO 386 CO -0.02 -1.16 1.30 0.09 -0.33 0.00 0.00 177.00 176.88 1r27 n ASN 387 N -1.33 2.31 0.00 2.53 5.03 -0.99 -3.87 115.26 118.93 1r27 n ASN 387 Ca 0.12 0.92 0.00 0.00 0.87 0.00 0.00 54.58 56.49 1r27 n ASN 387 Cb 0.48 -1.55 0.00 0.00 -1.02 0.00 0.00 39.78 37.69 1r27 n ASN 387 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1r27 n GLY 388 N 0.86 2.10 3.69 7.41 0.00 -0.99 -4.71 105.19 113.55 1r27 n GLY 388 Ca 0.13 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.81 1r27 n GLY 388 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1r27 s SER 389 N -0.29 3.51 0.52 1.61 1.04 -1.18 -3.63 113.70 115.28 1r27 s SER 389 Ca 0.00 2.35 0.27 0.00 0.48 0.00 0.00 55.95 59.05 1r27 s SER 389 Cb 0.00 -2.59 1.40 0.00 0.10 0.00 0.00 66.02 64.93 1r27 s SER 389 CO 0.00 -2.72 1.93 -0.29 0.98 0.00 0.00 173.24 173.14 1r27 h ILE 390 N -1.01 0.65 -0.32 -1.02 6.09 -1.02 -1.86 117.51 119.01 1r27 h ILE 390 Ca -0.46 -0.02 0.08 0.00 -1.37 0.00 0.00 64.86 63.09 1r27 h ILE 390 Cb 1.29 0.60 -0.01 0.00 0.47 0.00 0.00 36.82 39.17 1r27 h ILE 390 CO 0.46 0.01 0.23 1.23 -3.07 0.00 0.00 178.15 177.00 1r27 h GLY 391 N 0.05 0.11 2.00 8.18 0.00 -1.56 -0.72 103.07 111.13 1r27 h GLY 391 Ca 0.35 -0.04 0.00 0.00 0.00 0.00 0.00 47.33 47.65 1r27 h GLY 391 CO -0.02 0.03 0.00 0.69 0.00 0.00 0.00 176.54 177.23 1r27 n PHE 392 N -4.46 0.43 -0.02 5.60 3.01 -0.70 -3.81 117.46 117.50 1r27 n PHE 392 Ca 0.04 0.13 -0.10 0.00 1.01 0.00 0.00 57.45 58.53 1r27 n PHE 392 Cb 0.34 -0.71 0.05 0.00 -0.01 0.00 0.00 39.48 39.15 1r27 n PHE 392 CO 0.00 0.00 0.00 -0.09 1.01 0.00 0.00 176.76 177.68 1r27 h ARG 393 N 0.00 0.64 -6.67 -1.08 2.43 -1.26 -3.39 114.38 105.05 1r27 h ARG 393 Ca 0.00 -0.37 -0.67 0.00 -0.81 0.00 0.00 59.98 58.13 1r27 h ARG 393 Cb 0.57 0.03 -0.24 0.00 -0.42 0.00 0.00 29.97 29.90 1r27 h ARG 393 CO 0.00 0.98 -0.87 -1.58 -1.51 0.00 0.00 179.97 176.99 1r27 s TRP 394 N -4.13 2.21 0.00 2.20 0.52 -1.25 -4.69 118.94 113.80 1r27 s TRP 394 Ca -0.08 -0.40 0.00 0.00 0.02 0.00 0.00 56.10 55.64 1r27 s TRP 394 Cb 0.11 -1.26 0.00 0.00 -1.15 0.00 0.00 33.47 31.17 1r27 s TRP 394 CO 0.85 0.21 0.00 0.41 0.02 0.00 0.00 176.95 178.43 1r27 n GLY 395 N 1.40 1.25 3.85 0.98 0.00 -1.26 -4.87 105.19 106.55 1r27 n GLY 395 Ca -0.18 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.77 1r27 n GLY 395 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1r27 s GLU 396 N -0.33 1.80 0.16 1.61 -1.05 -1.26 -5.03 118.70 114.60 1r27 s GLU 396 Ca 0.00 -1.01 0.05 0.00 -0.15 0.00 0.00 54.97 53.86 1r27 s GLU 396 Cb 0.00 0.61 -0.04 0.00 -0.44 0.00 0.00 34.13 34.25 1r27 s GLU 396 CO 0.00 -0.83 -0.12 0.15 0.95 0.00 0.00 175.26 175.42 1r27 s LYS 397 N -3.86 1.12 0.00 -4.83 1.02 -1.26 -4.82 119.74 107.11 1r27 s LYS 397 Ca 0.11 -1.46 0.00 0.00 0.02 0.00 0.00 55.97 54.65 1r27 s LYS 397 Cb -0.06 -0.79 0.00 0.00 -0.52 0.00 0.00 37.83 36.46 1r27 s LYS 397 CO 0.07 0.12 0.00 0.41 -0.92 0.00 0.00 175.35 175.03 1r27 n GLY 398 N -0.14 1.09 0.30 -3.33 0.00 -0.93 -4.84 105.19 97.34 1r27 n GLY 398 Ca -0.10 0.00 0.04 0.00 0.00 0.00 0.00 46.02 45.95 1r27 n GLY 398 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1r27 n LYS 399 N -2.00 0.39 -2.35 1.61 4.76 -1.23 -4.24 118.16 115.10 1r27 n LYS 399 Ca 0.00 -1.05 -0.43 0.00 -2.87 0.00 0.00 58.31 53.97 1r27 n LYS 399 Cb 0.00 -1.14 0.00 0.00 -1.84 0.00 0.00 35.03 32.05 1r27 n LYS 399 CO 0.00 0.00 0.00 1.87 -1.37 0.00 0.00 177.40 177.90 1r27 n TRP 400 N 0.36 3.40 -4.11 2.13 -0.00 -1.13 -2.55 117.44 115.53 1r27 n TRP 400 Ca 0.05 -2.90 -0.13 0.00 -0.00 0.00 0.00 57.50 54.51 1r27 n TRP 400 Cb 0.20 -2.10 -0.06 0.00 -0.00 0.00 0.00 31.31 29.35 1r27 n TRP 400 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 177.69 178.23 1r27 s ASN 401 N 1.63 0.52 -0.31 5.87 2.20 -1.26 -3.88 114.94 119.70 1r27 s ASN 401 Ca 0.42 -1.34 0.10 0.00 -0.94 0.00 0.00 52.86 51.10 1r27 s ASN 401 Cb 0.08 0.56 0.66 0.00 -2.00 0.00 0.00 41.25 40.55 1r27 s ASN 401 CO -0.01 -1.11 1.70 0.18 -2.94 0.00 0.00 177.10 174.93 1r27 n LEU 402 N -0.44 5.50 -4.77 3.54 4.77 0.32 -2.36 117.00 123.56 1r27 n LEU 402 Ca 0.01 -3.35 -0.40 0.00 -0.03 0.00 0.00 56.01 52.25 1r27 n LEU 402 Cb 0.63 -0.71 -0.03 0.00 -2.33 0.00 0.00 43.42 40.98 1r27 n LEU 402 CO 0.29 0.90 0.87 -1.61 -1.33 0.00 0.00 177.39 176.51 1r27 s GLU 403 N -3.06 4.34 -1.18 3.23 2.02 -1.26 -4.89 118.70 117.90 1r27 s GLU 403 Ca 0.52 1.95 -0.20 0.00 0.02 0.00 0.00 54.97 57.25 1r27 s GLU 403 Cb 0.43 -2.96 0.07 0.00 0.10 0.00 0.00 34.13 31.76 1r27 s GLU 403 CO 0.10 -0.11 1.60 -0.65 0.02 0.00 0.00 175.26 176.23 1r27 s GLN 404 N -1.87 3.83 0.12 1.61 -1.52 -1.26 -4.50 119.66 116.07 1r27 s GLN 404 Ca 0.50 -1.69 0.02 0.00 -1.95 0.00 0.00 55.36 52.25 1r27 s GLN 404 Cb -0.34 -5.44 -0.04 0.00 -0.22 0.00 0.00 33.01 26.97 1r27 s GLN 404 CO 0.44 -2.21 -0.05 1.03 -0.25 0.00 0.00 175.29 174.25 1r27 s ARG 405 N 4.37 0.90 0.02 2.91 0.52 -1.26 -1.34 118.95 125.07 1r27 s ARG 405 Ca 0.50 -1.38 -0.30 0.00 -0.52 0.00 0.00 55.73 54.03 1r27 s ARG 405 Cb 0.02 -0.23 -0.04 0.00 0.52 0.00 0.00 34.95 35.22 1r27 s ARG 405 CO 0.01 -0.04 1.15 0.34 0.02 0.00 0.00 175.30 176.78 1r27 s ASP 406 N -3.07 7.14 0.01 0.23 -1.08 0.18 -2.35 116.67 117.73 1r27 s ASP 406 Ca 0.15 1.89 0.15 0.00 -0.52 0.00 0.00 52.55 54.21 1r27 s ASP 406 Cb 0.05 -2.57 0.64 0.00 -1.46 0.00 0.00 42.92 39.58 1r27 s ASP 406 CO -0.03 -0.45 1.48 0.61 0.52 0.00 0.00 175.17 177.30 1r27 n GLY 407 N 3.18 -1.01 0.41 2.66 0.00 0.14 -1.60 105.19 108.96 1r27 n GLY 407 Ca 0.09 -0.04 -0.10 0.00 0.00 0.00 0.00 46.02 45.97 1r27 n GLY 407 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1r27 n LYS 408 N -1.54 0.37 0.21 1.61 3.00 -1.26 -4.70 118.16 115.84 1r27 n LYS 408 Ca 0.03 0.15 0.13 0.00 -0.00 0.00 0.00 58.31 58.63 1r27 n LYS 408 Cb 0.17 -1.14 0.34 0.00 0.00 0.00 0.00 35.03 34.40 1r27 n LYS 408 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.40 179.19 1r27 h THR 409 N -0.67 0.00 0.00 3.15 1.35 -1.96 -3.47 112.91 111.31 1r27 h THR 409 Ca -0.13 -0.76 0.00 0.00 -0.55 0.00 0.00 66.41 64.97 1r27 h THR 409 Cb 0.88 1.74 0.00 0.00 -1.73 0.00 0.00 68.15 69.04 1r27 h THR 409 CO -0.08 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.80 1r27 n GLY 410 N 0.85 0.57 3.90 5.82 0.00 -0.63 -4.99 105.19 110.70 1r27 n GLY 410 Ca 0.03 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.77 1r27 n GLY 410 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1r27 s GLU 411 N -0.37 3.51 0.26 1.61 0.41 -1.26 -4.71 118.70 118.16 1r27 s GLU 411 Ca 0.00 0.32 -0.29 0.00 -0.41 0.00 0.00 54.97 54.59 1r27 s GLU 411 Cb 0.00 -2.30 -0.09 0.00 -1.78 0.00 0.00 34.13 29.96 1r27 s GLU 411 CO 0.00 -0.33 0.97 -1.21 -0.49 0.00 0.00 175.26 174.21 1r27 s GLU 412 N -4.87 4.76 0.25 1.61 2.02 -1.26 0.51 118.70 121.73 1r27 s GLU 412 Ca 0.50 1.53 0.02 0.00 0.02 0.00 0.00 54.97 57.04 1r27 s GLU 412 Cb -0.10 -3.18 -0.04 0.00 0.10 0.00 0.00 34.13 30.91 1r27 s GLU 412 CO 0.47 0.41 0.19 0.95 0.02 0.00 0.00 175.26 177.30 1r27 s THR 413 N -1.25 0.01 -0.09 3.63 -4.23 -0.45 -4.82 115.64 108.44 1r27 s THR 413 Ca 0.43 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 58.95 1r27 s THR 413 Cb -0.26 -2.50 0.02 0.00 1.34 0.00 0.00 72.50 71.10 1r27 s THR 413 CO 0.33 0.00 -0.08 -0.70 -0.54 0.00 0.00 174.62 173.63 1r27 s GLU 414 N -3.86 1.45 0.23 3.99 2.12 -1.26 -4.61 118.70 116.76 1r27 s GLU 414 Ca 0.40 -0.26 -0.30 0.00 0.36 0.00 0.00 54.97 55.17 1r27 s GLU 414 Cb 0.05 -1.43 -0.09 0.00 0.26 0.00 0.00 34.13 32.92 1r27 s GLU 414 CO 0.19 -0.18 0.93 -0.51 -0.54 0.00 0.00 175.26 175.15 1r27 s LEU 415 N 1.39 4.64 0.06 2.70 1.43 -1.26 0.34 118.68 127.98 1r27 s LEU 415 Ca -0.01 1.93 -0.26 0.00 -1.03 0.00 0.00 54.13 54.75 1r27 s LEU 415 Cb -0.13 -3.59 -0.06 0.00 0.03 0.00 0.00 46.19 42.44 1r27 s LEU 415 CO -0.04 0.15 0.80 -1.58 0.23 0.00 0.00 176.35 175.91 1r27 s GLN 416 N -1.13 4.54 0.00 1.70 2.00 0.67 -4.77 119.66 122.66 1r27 s GLN 416 Ca 0.41 1.14 0.00 0.00 -2.00 0.00 0.00 55.36 54.91 1r27 s GLN 416 Cb -0.26 -3.36 0.00 0.00 0.80 0.00 0.00 33.01 30.19 1r27 s GLN 416 CO 0.32 0.28 0.00 1.28 -0.50 0.00 0.00 175.29 176.66 1r27 n LEU 417 N 2.77 0.53 -4.85 3.68 4.77 -1.26 -4.51 117.00 118.13 1r27 n LEU 417 Ca -0.02 0.23 -0.36 0.00 -0.03 0.00 0.00 56.01 55.83 1r27 n LEU 417 Cb 0.50 -0.36 -0.06 0.00 -2.33 0.00 0.00 43.42 41.17 1r27 n LEU 417 CO 0.48 -0.36 0.11 -0.55 -1.33 0.00 0.00 177.39 175.73 1r27 s SER 418 N -2.71 6.74 0.00 -1.43 0.15 -1.26 -4.64 113.70 110.55 1r27 s SER 418 Ca 0.00 0.90 0.26 0.00 0.70 0.00 0.00 55.95 57.81 1r27 s SER 418 Cb 0.00 -2.22 0.62 0.00 -1.71 0.00 0.00 66.02 62.70 1r27 s SER 418 CO 0.00 0.24 1.48 0.18 1.20 0.00 0.00 173.24 176.34 1r27 n LEU 419 N 1.34 0.67 -4.71 3.45 4.77 -1.26 -4.89 117.00 116.37 1r27 n LEU 419 Ca -0.11 -0.08 -0.42 0.00 -0.03 0.00 0.00 56.01 55.37 1r27 n LEU 419 Cb 0.52 -0.21 -0.03 0.00 -2.33 0.00 0.00 43.42 41.38 1r27 n LEU 419 CO 0.40 0.15 1.38 -0.22 -1.33 0.00 0.00 177.39 177.76 1r27 s LEU 420 N -2.82 4.38 0.00 2.23 2.96 -1.26 -1.77 118.68 122.41 1r27 s LEU 420 Ca 0.16 2.76 0.00 0.00 -0.22 0.00 0.00 54.13 56.83 1r27 s LEU 420 Cb 0.18 -3.59 0.00 0.00 0.50 0.00 0.00 46.19 43.29 1r27 s LEU 420 CO 0.63 -0.95 0.00 0.61 -1.32 0.00 0.00 176.35 175.32 1r27 n GLY 421 N 4.02 0.75 0.53 7.98 0.00 -1.26 -4.84 105.19 112.38 1r27 n GLY 421 Ca 0.16 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.18 1r27 n GLY 421 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1r27 n SER 422 N 0.00 -0.08 -4.87 1.61 3.41 -0.73 -5.14 113.62 107.82 1r27 n SER 422 Ca 0.00 -1.07 -0.30 0.00 -0.26 0.00 0.00 58.87 57.25 1r27 n SER 422 Cb 0.00 0.02 0.07 0.00 -0.26 0.00 0.00 64.21 64.04 1r27 n SER 422 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1r27 s GLN 423 N 0.00 2.48 0.03 4.33 0.00 -0.94 -4.99 119.66 120.57 1r27 s GLN 423 Ca 0.00 0.42 0.21 0.00 -0.00 0.00 0.00 55.36 55.99 1r27 s GLN 423 Cb 0.00 -1.98 -0.20 0.00 0.00 0.00 0.00 33.01 30.83 1r27 s GLN 423 CO 0.00 -1.30 0.65 -0.25 0.00 0.00 0.00 175.29 174.40 1r27 n ASP 424 N -3.18 0.40 -3.49 12.60 8.00 -0.18 -4.99 116.55 125.70 1r27 n ASP 424 Ca 0.07 0.16 -0.02 0.00 0.71 0.00 0.00 54.79 55.71 1r27 n ASP 424 Cb 0.58 1.10 0.01 0.00 -0.02 0.00 0.00 41.12 42.79 1r27 n ASP 424 CO 0.00 0.00 0.00 -1.83 -0.39 0.00 0.00 177.20 174.98 1r27 s GLU 425 N -3.24 1.09 -0.15 -1.24 -1.05 -1.12 -5.04 118.70 107.95 1r27 s GLU 425 Ca -0.05 -0.69 0.00 0.00 -0.15 0.00 0.00 54.97 54.08 1r27 s GLU 425 Cb 0.11 0.31 0.02 0.00 -0.44 0.00 0.00 34.13 34.13 1r27 s GLU 425 CO 0.85 -0.51 -0.14 0.42 0.95 0.00 0.00 175.26 176.83 1r27 s ILE 426 N -2.26 1.57 0.20 1.83 1.01 -1.26 -1.33 121.20 120.95 1r27 s ILE 426 Ca 0.22 -0.65 0.07 0.00 0.00 0.00 0.00 60.65 60.29 1r27 s ILE 426 Cb -0.02 -1.49 -0.04 0.00 0.01 0.00 0.00 42.46 40.93 1r27 s ILE 426 CO 0.03 0.44 0.07 0.00 0.00 0.00 0.00 174.94 175.49 1r27 s ALA 427 N 1.48 3.36 -0.25 9.38 0.00 -0.50 -4.88 121.76 130.36 1r27 s ALA 427 Ca 0.05 -1.38 -0.13 0.00 0.00 0.00 0.00 51.96 50.50 1r27 s ALA 427 Cb -0.13 -1.11 -0.04 0.00 0.00 0.00 0.00 23.12 21.83 1r27 s ALA 427 CO -0.11 0.41 0.27 -1.21 0.00 0.00 0.00 175.76 175.13 1r27 s GLU 428 N -3.27 4.04 -0.04 0.00 2.02 -1.26 0.58 118.70 120.77 1r27 s GLU 428 Ca 0.30 -0.11 0.02 0.00 0.02 0.00 0.00 54.97 55.19 1r27 s GLU 428 Cb -0.09 -3.61 -0.03 0.00 0.10 0.00 0.00 34.13 30.50 1r27 s GLU 428 CO 0.21 -0.13 -0.07 0.08 0.02 0.00 0.00 175.26 175.38 1r27 s VAL 429 N 1.61 3.67 0.03 2.63 1.01 0.26 -1.10 120.40 128.50 1r27 s VAL 429 Ca 0.11 -0.60 -0.17 0.00 0.00 0.00 0.00 61.98 61.32 1r27 s VAL 429 Cb -0.15 -2.53 -0.06 0.00 0.00 0.00 0.00 36.38 33.63 1r27 s VAL 429 CO 0.09 0.52 0.48 -0.83 0.00 0.00 0.00 175.10 175.36 1r27 s GLY 430 N -1.05 2.57 -0.05 4.51 0.00 -0.26 0.03 107.32 113.06 1r27 s GLY 430 Ca 0.14 -0.10 0.04 0.00 0.00 0.00 0.00 44.72 44.80 1r27 s GLY 430 CO 0.04 0.31 -0.18 -1.36 0.00 0.00 0.00 173.10 171.91 1r27 s PHE 431 N -1.05 1.81 0.44 1.90 0.40 -0.01 -4.65 117.98 116.82 1r27 s PHE 431 Ca 0.26 -0.57 -0.24 0.00 -0.60 0.00 0.00 56.93 55.78 1r27 s PHE 431 Cb -0.18 -1.23 -0.08 0.00 0.51 0.00 0.00 43.02 42.04 1r27 s PHE 431 CO 0.16 -0.21 1.21 -2.14 0.70 0.00 0.00 175.22 174.93 1r27 s PRO 432 N 0.16 3.83 -0.09 0.24 0.02 -1.26 -0.75 135.00 137.14 1r27 s PRO 432 Ca -0.07 1.90 -0.03 0.00 0.02 0.00 0.00 61.00 62.82 1r27 s PRO 432 Cb -0.13 -2.54 0.04 0.00 0.02 0.00 0.00 34.50 31.89 1r27 s PRO 432 CO 0.03 -0.53 0.05 -0.47 -0.33 0.00 0.00 177.00 175.76 1r27 s TYR 433 N -1.43 0.28 -0.88 6.54 5.04 -0.83 -4.84 117.35 121.23 1r27 s TYR 433 Ca 0.61 -0.04 0.09 0.00 -2.44 0.00 0.00 57.07 55.29 1r27 s TYR 433 Cb -0.32 -0.63 0.20 0.00 0.35 0.00 0.00 41.96 41.56 1r27 s TYR 433 CO 0.39 -0.33 1.08 1.19 -1.34 0.00 0.00 175.55 176.55 1r27 n PHE 434 N 5.25 0.27 0.01 4.97 3.01 -1.26 -4.48 117.46 125.22 1r27 n PHE 434 Ca -0.05 -0.35 0.00 0.00 1.01 0.00 0.00 57.45 58.06 1r27 n PHE 434 Cb 0.50 -0.02 0.01 0.00 -0.01 0.00 0.00 39.48 39.95 1r27 n PHE 434 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1r27 n GLY 435 N 0.39 -0.49 0.27 1.37 0.00 -1.26 -1.45 105.19 104.02 1r27 n GLY 435 Ca 0.08 -0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.13 1r27 n GLY 435 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1r27 n GLY 436 N -1.46 1.70 1.11 -0.02 0.00 -1.20 -1.67 105.19 103.65 1r27 n GLY 436 Ca 0.00 -0.17 0.10 0.00 0.00 0.00 0.00 46.02 45.95 1r27 n GLY 436 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1r27 n ASP 437 N 0.07 3.24 -3.20 1.61 8.00 -0.53 -4.89 116.55 120.85 1r27 n ASP 437 Ca 0.05 -1.99 -0.28 0.00 0.71 0.00 0.00 54.79 53.28 1r27 n ASP 437 Cb 0.27 -0.39 0.27 0.00 -0.02 0.00 0.00 41.12 41.25 1r27 n ASP 437 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1r27 n GLY 438 N 1.47 -3.95 3.95 0.44 0.00 -1.26 -4.99 105.19 100.85 1r27 n GLY 438 Ca 0.20 -1.29 -0.23 0.00 0.00 0.00 0.00 46.02 44.71 1r27 n GLY 438 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1r27 s THR 439 N -2.01 4.47 -2.00 2.61 2.01 -1.26 -4.97 115.64 114.49 1r27 s THR 439 Ca 0.61 -0.56 0.09 0.00 0.31 0.00 0.00 61.69 62.15 1r27 s THR 439 Cb -0.11 -3.63 0.27 0.00 0.01 0.00 0.00 72.50 69.04 1r27 s THR 439 CO 0.51 -0.40 0.98 -1.84 -0.69 0.00 0.00 174.62 173.19 1r27 n GLU 440 N -1.89 0.34 0.00 4.92 0.28 -1.26 -1.82 120.64 121.21 1r27 n GLU 440 Ca -0.02 0.00 0.11 0.00 -0.16 0.00 0.00 57.16 57.09 1r27 n GLU 440 Cb 0.57 -1.43 -0.04 0.00 1.43 0.00 0.00 31.44 31.97 1r27 n GLU 440 CO 0.00 0.00 0.00 0.72 -0.16 0.00 0.00 177.13 177.69 1r27 n HIS 441 N -0.93 0.00 -4.58 -1.84 8.25 -1.26 -4.92 115.22 109.94 1r27 n HIS 441 Ca 0.07 0.00 -0.22 0.00 -0.26 0.00 0.00 57.72 57.31 1r27 n HIS 441 Cb 0.03 -0.02 -0.15 0.00 1.12 0.00 0.00 29.99 30.97 1r27 n HIS 441 CO 0.00 0.00 0.00 -0.06 0.64 0.00 0.00 176.34 176.92 1r27 s PHE 442 N -2.84 1.23 0.29 4.41 0.40 -0.76 -5.12 117.98 115.59 1r27 s PHE 442 Ca 0.12 -0.29 -0.29 0.00 -0.60 0.00 0.00 56.93 55.86 1r27 s PHE 442 Cb 0.17 -0.83 -0.10 0.00 0.51 0.00 0.00 43.02 42.77 1r27 s PHE 442 CO 0.77 -0.08 1.45 -0.80 0.70 0.00 0.00 175.22 177.25 1r27 s ASN 443 N -0.05 6.59 0.29 1.36 0.01 -1.26 -4.55 114.94 117.33 1r27 s ASN 443 Ca 0.00 2.77 0.10 0.00 -0.71 0.00 0.00 52.86 55.02 1r27 s ASN 443 Cb -0.08 -2.64 -0.06 0.00 0.41 0.00 0.00 41.25 38.89 1r27 s ASN 443 CO 0.00 -0.73 -0.14 -1.59 -1.51 0.00 0.00 177.10 173.14 1r27 s LYS 444 N -0.91 1.67 -0.21 -0.60 -2.85 -1.26 -4.69 119.74 110.89 1r27 s LYS 444 Ca 0.57 -1.81 0.00 0.00 -1.00 0.00 0.00 55.97 53.73 1r27 s LYS 444 Cb -0.43 -1.60 0.05 0.00 -2.06 0.00 0.00 37.83 33.79 1r27 s LYS 444 CO 0.49 0.21 -0.05 0.08 0.10 0.00 0.00 175.35 176.18 1r27 s VAL 445 N -2.66 1.34 -0.01 1.79 1.01 -0.67 -4.95 120.40 116.25 1r27 s VAL 445 Ca 0.30 -1.00 -0.25 0.00 0.00 0.00 0.00 61.98 61.03 1r27 s VAL 445 Cb -0.01 -1.59 -0.04 0.00 0.00 0.00 0.00 36.38 34.74 1r27 s VAL 445 CO 0.14 -0.04 0.79 -1.61 0.00 0.00 0.00 175.10 174.38 1r27 s GLU 446 N 1.50 4.49 0.00 2.72 2.02 -1.26 -3.26 118.70 124.91 1r27 s GLU 446 Ca -0.03 1.07 0.00 0.00 0.02 0.00 0.00 54.97 56.03 1r27 s GLU 446 Cb -0.18 -3.42 0.00 0.00 0.10 0.00 0.00 34.13 30.64 1r27 s GLU 446 CO -0.07 0.13 0.00 1.28 0.02 0.00 0.00 175.26 176.62 1r27 n LEU 447 N 3.42 0.00 -4.17 1.80 4.77 -1.26 -5.05 117.00 116.50 1r27 n LEU 447 Ca -0.00 0.00 -0.22 0.00 -0.03 0.00 0.00 56.01 55.76 1r27 n LEU 447 Cb 0.51 0.00 -0.14 0.00 -2.33 0.00 0.00 43.42 41.46 1r27 n LEU 447 CO 0.48 0.00 -0.49 -1.61 -1.33 0.00 0.00 177.39 174.45 1r27 s GLU 448 N 2.50 1.12 0.15 3.23 2.02 -1.26 -5.01 118.70 121.46 1r27 s GLU 448 Ca 0.00 -0.78 0.21 0.00 0.02 0.00 0.00 54.97 54.42 1r27 s GLU 448 Cb 0.00 -1.16 0.86 0.00 0.10 0.00 0.00 34.13 33.93 1r27 s GLU 448 CO 0.00 0.30 1.65 0.09 0.02 0.00 0.00 175.26 177.32 1r27 n ASN 449 N 2.01 0.41 -3.62 -0.19 5.03 -1.26 -4.32 115.26 113.31 1r27 n ASN 449 Ca -0.17 0.59 -0.26 0.00 0.87 0.00 0.00 54.58 55.61 1r27 n ASN 449 Cb 0.54 -0.68 -0.17 0.00 -1.02 0.00 0.00 39.78 38.45 1r27 n ASN 449 CO 0.00 0.00 0.00 -0.69 -1.83 0.00 0.00 177.26 174.74 1r27 s VAL 450 N -3.17 -0.03 -0.32 2.41 1.01 -1.26 -1.96 120.40 117.09 1r27 s VAL 450 Ca 0.06 -0.20 -0.16 0.00 0.00 0.00 0.00 61.98 61.68 1r27 s VAL 450 Cb 0.10 -0.62 -0.02 0.00 0.00 0.00 0.00 36.38 35.85 1r27 s VAL 450 CO 0.38 -0.27 0.41 -0.76 0.00 0.00 0.00 175.10 174.86 1r27 s LEU 451 N 2.11 4.28 -0.07 3.92 1.43 0.07 -4.83 118.68 125.59 1r27 s LEU 451 Ca 0.02 0.01 -0.26 0.00 -1.03 0.00 0.00 54.13 52.86 1r27 s LEU 451 Cb -0.16 -2.45 -0.03 0.00 0.03 0.00 0.00 46.19 43.58 1r27 s LEU 451 CO -0.09 -0.33 0.84 -0.76 0.23 0.00 0.00 176.35 176.24 1r27 s LEU 452 N 2.15 4.30 0.02 1.79 1.43 -1.26 -0.83 118.68 126.28 1r27 s LEU 452 Ca 0.15 1.37 0.07 0.00 -1.03 0.00 0.00 54.13 54.69 1r27 s LEU 452 Cb -0.16 -3.31 -0.02 0.00 0.03 0.00 0.00 46.19 42.73 1r27 s LEU 452 CO 0.12 -0.24 -0.22 -1.00 0.23 0.00 0.00 176.35 175.24 1r27 s HIS 453 N 1.22 1.91 -0.24 0.29 3.76 0.10 -4.62 115.29 117.72 1r27 s HIS 453 Ca 0.43 -0.37 -0.18 0.00 -0.15 0.00 0.00 55.06 54.79 1r27 s HIS 453 Cb -0.19 -1.18 -0.03 0.00 1.11 0.00 0.00 32.58 32.30 1r27 s HIS 453 CO 0.20 0.04 0.53 -1.59 -0.85 0.00 0.00 174.74 173.08 1r27 s LYS 454 N -0.88 4.12 0.09 1.40 -2.85 -1.26 0.90 119.74 121.26 1r27 s LYS 454 Ca 0.08 0.39 0.08 0.00 -1.00 0.00 0.00 55.97 55.52 1r27 s LYS 454 Cb -0.09 -3.62 -0.04 0.00 -2.06 0.00 0.00 37.83 32.02 1r27 s LYS 454 CO 0.01 -0.30 -0.16 -0.51 0.10 0.00 0.00 175.35 174.49 1r27 s LEU 455 N 2.12 2.76 -0.08 2.77 2.01 0.20 -4.94 118.68 123.52 1r27 s LEU 455 Ca 0.23 -0.47 -0.30 0.00 0.01 0.00 0.00 54.13 53.60 1r27 s LEU 455 Cb -0.16 -1.60 -0.02 0.00 0.01 0.00 0.00 46.19 44.42 1r27 s LEU 455 CO 0.09 0.20 1.12 -2.16 1.01 0.00 0.00 176.35 176.61 1r27 s PRO 456 N -1.94 4.38 0.19 1.29 0.04 -1.26 -1.41 135.00 136.29 1r27 s PRO 456 Ca 0.18 1.55 0.08 0.00 0.04 0.00 0.00 61.00 62.85 1r27 s PRO 456 Cb -0.11 -3.55 -0.05 0.00 0.04 0.00 0.00 34.50 30.84 1r27 s PRO 456 CO 0.09 -0.39 -0.15 0.08 0.04 0.00 0.00 177.00 176.68 1r27 s VAL 457 N 2.13 1.69 -0.00 -0.36 1.01 -0.45 -4.67 120.40 119.75 1r27 s VAL 457 Ca 0.53 -2.14 0.05 0.00 0.00 0.00 0.00 61.98 60.42 1r27 s VAL 457 Cb -0.22 -1.98 -0.01 0.00 0.00 0.00 0.00 36.38 34.17 1r27 s VAL 457 CO 0.20 -0.56 -0.15 -0.54 0.00 0.00 0.00 175.10 174.05 1r27 s LYS 458 N -3.49 1.17 0.02 2.72 1.02 -0.49 -1.01 119.74 119.68 1r27 s LYS 458 Ca 0.20 -0.59 -0.16 0.00 0.02 0.00 0.00 55.97 55.45 1r27 s LYS 458 Cb -0.01 -1.14 -0.06 0.00 -0.52 0.00 0.00 37.83 36.09 1r27 s LYS 458 CO 0.06 0.31 0.45 0.50 -0.92 0.00 0.00 175.35 175.75 1r27 s ARG 459 N -0.52 3.99 0.06 1.68 3.52 -1.26 -1.08 118.95 125.35 1r27 s ARG 459 Ca 0.05 0.50 0.04 0.00 -0.13 0.00 0.00 55.73 56.19 1r27 s ARG 459 Cb -0.06 -3.23 -0.03 0.00 -1.56 0.00 0.00 34.95 30.07 1r27 s ARG 459 CO -0.00 0.68 -0.11 -0.51 -0.81 0.00 0.00 175.30 174.55 1r27 s LEU 460 N -1.08 2.28 -0.24 -0.88 1.43 0.45 -4.97 118.68 115.67 1r27 s LEU 460 Ca 0.25 -0.61 -0.12 0.00 -1.03 0.00 0.00 54.13 52.62 1r27 s LEU 460 Cb -0.17 -0.33 -0.05 0.00 0.03 0.00 0.00 46.19 45.67 1r27 s LEU 460 CO 0.15 -0.16 0.23 -1.10 0.23 0.00 0.00 176.35 175.70 1r27 s GLN 461 N -1.78 4.08 0.34 1.70 -0.21 -1.26 -1.42 119.66 121.10 1r27 s GLN 461 Ca -0.05 -0.15 -0.02 0.00 0.02 0.00 0.00 55.36 55.16 1r27 s GLN 461 Cb -0.09 -3.56 -0.04 0.00 1.00 0.00 0.00 33.01 30.32 1r27 s GLN 461 CO 0.01 -0.01 0.58 -0.51 -2.12 0.00 0.00 175.29 173.23 1r27 s LEU 462 N 1.27 3.98 0.40 2.90 1.43 0.87 -4.63 118.68 124.90 1r27 s LEU 462 Ca 0.11 0.60 0.20 0.00 -1.03 0.00 0.00 54.13 54.01 1r27 s LEU 462 Cb -0.14 -3.46 1.15 0.00 0.03 0.00 0.00 46.19 43.76 1r27 s LEU 462 CO 0.06 -0.29 1.74 0.00 0.23 0.00 0.00 176.35 178.10 1r27 h ALA 463 N 1.04 2.28 -0.44 4.21 0.00 -1.42 0.40 119.26 125.34 1r27 h ALA 463 Ca -0.49 0.08 -0.23 0.00 0.00 0.00 0.00 54.91 54.27 1r27 h ALA 463 Cb 1.21 0.06 -0.14 0.00 0.00 0.00 0.00 17.79 18.92 1r27 h ALA 463 CO 0.63 -0.73 0.29 -0.40 0.00 0.00 0.00 179.25 179.04 1r27 n ASP 464 N -4.66 3.39 0.00 0.00 5.68 -1.26 -4.85 116.55 114.84 1r27 n ASP 464 Ca 0.27 -2.71 0.00 0.00 -0.50 0.00 0.00 54.79 51.85 1r27 n ASP 464 Cb 0.96 -0.66 0.00 0.00 -1.14 0.00 0.00 41.12 40.29 1r27 n ASP 464 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1r27 n GLY 465 N -0.21 0.17 3.92 6.12 0.00 0.14 -4.96 105.19 110.37 1r27 n GLY 465 Ca 0.26 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 46.01 1r27 n GLY 465 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1r27 s SER 466 N -2.16 4.66 0.18 1.61 1.04 -1.25 -4.75 113.70 113.04 1r27 s SER 466 Ca 0.00 0.59 0.07 0.00 0.48 0.00 0.00 55.95 57.09 1r27 s SER 466 Cb 0.00 -1.17 -0.04 0.00 0.10 0.00 0.00 66.02 64.91 1r27 s SER 466 CO 0.00 -1.74 0.03 -0.89 0.98 0.00 0.00 173.24 171.61 1r27 s THR 467 N -3.40 3.85 -0.18 2.02 2.01 -1.26 -0.09 115.64 118.59 1r27 s THR 467 Ca 0.61 -1.40 -0.21 0.00 0.31 0.00 0.00 61.69 61.00 1r27 s THR 467 Cb -0.11 -2.95 0.05 0.00 0.01 0.00 0.00 72.50 69.50 1r27 s THR 467 CO 0.47 -0.14 0.56 0.00 -0.69 0.00 0.00 174.62 174.82 1r27 s ALA 468 N -1.79 -1.40 -0.07 7.40 0.00 -0.51 -4.91 121.76 120.48 1r27 s ALA 468 Ca 0.28 1.47 -0.10 0.00 0.00 0.00 0.00 51.96 53.61 1r27 s ALA 468 Cb -0.09 -0.74 -0.05 0.00 0.00 0.00 0.00 23.12 22.24 1r27 s ALA 468 CO 0.20 -0.28 0.25 -0.51 0.00 0.00 0.00 175.76 175.41 1r27 s LEU 469 N -0.00 4.42 0.07 0.00 1.43 -1.26 -0.41 118.68 122.93 1r27 s LEU 469 Ca -0.02 0.67 0.02 0.00 -1.03 0.00 0.00 54.13 53.76 1r27 s LEU 469 Cb -0.04 -2.28 -0.03 0.00 0.03 0.00 0.00 46.19 43.87 1r27 s LEU 469 CO 0.02 0.38 -0.06 0.68 0.23 0.00 0.00 176.35 177.59 1r27 s VAL 470 N -1.05 0.56 0.25 -1.59 -7.23 -0.24 -1.17 120.40 109.94 1r27 s VAL 470 Ca 0.19 -1.59 -0.05 0.00 -1.81 0.00 0.00 61.98 58.71 1r27 s VAL 470 Cb -0.14 -1.24 -0.02 0.00 0.56 0.00 0.00 36.38 35.54 1r27 s VAL 470 CO 0.08 -0.71 0.32 0.28 -0.31 0.00 0.00 175.10 174.77 1r27 s THR 471 N -2.81 0.00 0.22 5.32 -1.32 -0.93 -1.39 115.64 114.73 1r27 s THR 471 Ca 0.03 -1.72 0.01 0.00 -1.21 0.00 0.00 61.69 58.80 1r27 s THR 471 Cb -0.00 -2.42 -0.04 0.00 -1.51 0.00 0.00 72.50 68.54 1r27 s THR 471 CO -0.03 0.00 0.39 0.42 -2.21 0.00 0.00 174.62 173.19 1r27 s THR 472 N -3.88 5.22 0.34 5.08 -4.23 -1.26 -0.31 115.64 116.60 1r27 s THR 472 Ca 0.32 -0.54 0.04 0.00 -1.18 0.00 0.00 61.69 60.32 1r27 s THR 472 Cb 0.03 -3.78 0.28 0.00 1.34 0.00 0.00 72.50 70.37 1r27 s THR 472 CO 0.13 -0.25 1.95 0.58 -0.54 0.00 0.00 174.62 176.50 1r27 h VAL 473 N 1.36 1.06 -0.26 2.29 2.07 -1.00 -0.11 116.25 121.67 1r27 h VAL 473 Ca -0.49 -0.29 0.05 0.00 0.82 0.00 0.00 66.70 66.78 1r27 h VAL 473 Cb 1.20 0.13 -0.05 0.00 -1.52 0.00 0.00 31.29 31.05 1r27 h VAL 473 CO 0.66 0.16 -0.04 0.22 0.02 0.00 0.00 177.57 178.59 1r27 h TYR 474 N 0.86 -0.08 -0.52 1.57 3.20 -1.33 0.42 116.97 121.08 1r27 h TYR 474 Ca 0.32 0.02 -0.07 0.00 3.14 0.00 0.00 58.73 62.14 1r27 h TYR 474 Cb 0.18 0.08 -0.02 0.00 1.54 0.00 0.00 36.73 38.51 1r27 h TYR 474 CO -0.00 -0.08 0.04 -0.44 -1.64 0.00 0.00 178.16 176.04 1r27 h ASP 475 N 0.03 0.87 -0.83 -2.11 3.45 -1.49 -1.72 116.42 114.62 1r27 h ASP 475 Ca 0.12 -0.29 -0.03 0.00 0.43 0.00 0.00 57.03 57.27 1r27 h ASP 475 Cb 0.18 -0.23 -0.04 0.00 -0.56 0.00 0.00 39.33 38.68 1r27 h ASP 475 CO -0.24 0.94 0.41 -0.07 -1.57 0.00 0.00 179.24 178.70 1r27 h LEU 476 N 0.77 1.09 -0.34 1.55 3.38 -0.47 -2.03 115.31 119.26 1r27 h LEU 476 Ca 0.15 -0.13 -0.03 0.00 0.09 0.00 0.00 57.88 57.96 1r27 h LEU 476 Cb 0.47 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.92 1r27 h LEU 476 CO 0.02 0.91 0.08 0.74 0.09 0.00 0.00 178.44 180.29 1r27 h THR 477 N 1.18 1.22 -0.81 0.22 2.02 0.04 -0.55 112.91 116.24 1r27 h THR 477 Ca 0.29 -0.74 -0.04 0.00 0.77 0.00 0.00 66.41 66.69 1r27 h THR 477 Cb 0.11 1.06 -0.04 0.00 -1.74 0.00 0.00 68.15 67.55 1r27 h THR 477 CO -0.04 0.25 0.35 -0.07 0.37 0.00 0.00 175.52 176.39 1r27 h LEU 478 N 0.39 1.10 0.02 2.58 4.07 -1.17 -2.06 115.31 120.23 1r27 h LEU 478 Ca 0.11 -0.16 -0.00 0.00 0.08 0.00 0.00 57.88 57.91 1r27 h LEU 478 Cb 0.29 -0.28 0.00 0.00 1.08 0.00 0.00 40.66 41.75 1r27 h LEU 478 CO 0.00 0.95 -0.01 0.00 -1.08 0.00 0.00 178.44 178.30 1r27 h ALA 479 N 1.19 -0.03 -0.98 1.53 0.00 -1.23 -2.05 119.26 117.69 1r27 h ALA 479 Ca 0.27 -0.16 0.17 0.00 0.00 0.00 0.00 54.91 55.20 1r27 h ALA 479 Cb 0.18 0.01 -0.09 0.00 0.00 0.00 0.00 17.79 17.89 1r27 h ALA 479 CO -0.03 -0.36 0.61 -0.97 0.00 0.00 0.00 179.25 178.50 1r27 h ASN 480 N -0.34 0.73 0.52 0.00 -1.24 -0.91 0.86 115.58 115.20 1r27 h ASN 480 Ca -0.00 0.07 0.00 0.00 0.71 0.00 0.00 56.30 57.08 1r27 h ASN 480 Cb 0.32 -0.07 0.00 0.00 0.73 0.00 0.00 38.32 39.31 1r27 h ASN 480 CO 0.00 0.31 0.00 -1.22 -1.29 0.00 0.00 177.43 175.23 1r27 n TYR 481 N -4.67 0.00 -2.68 0.67 4.02 -0.79 -4.85 117.16 108.86 1r27 n TYR 481 Ca 0.21 0.00 -0.05 0.00 -0.01 0.00 0.00 57.90 58.05 1r27 n TYR 481 Cb 0.54 -0.35 0.01 0.00 -0.02 0.00 0.00 39.34 39.53 1r27 n TYR 481 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1r27 n GLY 482 N 0.67 0.63 3.63 2.72 0.00 0.30 -4.54 105.19 108.61 1r27 n GLY 482 Ca 0.09 -0.50 -0.38 0.00 0.00 0.00 0.00 46.02 45.23 1r27 n GLY 482 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1r27 s LEU 483 N -2.20 4.08 0.21 0.99 1.43 -0.79 -1.99 118.68 120.40 1r27 s LEU 483 Ca 0.11 0.22 -0.30 0.00 -1.03 0.00 0.00 54.13 53.13 1r27 s LEU 483 Cb -0.05 -2.28 -0.08 0.00 0.03 0.00 0.00 46.19 43.81 1r27 s LEU 483 CO 0.14 -0.05 1.11 -0.70 0.23 0.00 0.00 176.35 177.07 1r27 s GLU 484 N 1.53 4.59 -0.18 1.70 2.56 -1.26 -4.66 118.70 122.98 1r27 s GLU 484 Ca 0.12 1.76 0.16 0.00 0.00 0.00 0.00 54.97 57.00 1r27 s GLU 484 Cb -0.15 -3.25 0.44 0.00 2.00 0.00 0.00 34.13 33.17 1r27 s GLU 484 CO 0.08 0.09 1.19 0.54 -0.56 0.00 0.00 175.26 176.60 1r27 n ARG 485 N 2.07 1.59 0.00 4.30 1.74 -1.26 -4.95 116.66 120.15 1r27 n ARG 485 Ca 0.02 -3.16 0.00 0.00 -0.77 0.00 0.00 57.85 53.94 1r27 n ARG 485 Cb 0.46 -1.33 0.00 0.00 -1.02 0.00 0.00 32.46 30.57 1r27 n ARG 485 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1r27 n GLY 486 N -0.56 2.89 0.97 -0.13 0.00 -1.26 -5.06 105.19 102.05 1r27 n GLY 486 Ca 0.19 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.14 1r27 n GLY 486 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1r27 n LEU 487 N 0.00 0.00 -3.74 0.99 4.77 -1.26 -5.00 117.00 112.76 1r27 n LEU 487 Ca 0.00 -0.38 -0.32 0.00 -0.03 0.00 0.00 56.01 55.28 1r27 n LEU 487 Cb 0.00 -0.25 -0.07 0.00 -2.33 0.00 0.00 43.42 40.78 1r27 n LEU 487 CO 0.00 -0.73 0.30 -3.20 -1.33 0.00 0.00 177.39 172.43 1r27 n ASN 488 N -3.19 4.20 -4.71 -1.43 5.15 -1.26 -5.04 115.26 108.98 1r27 n ASN 488 Ca 0.04 -3.34 -0.37 0.00 -0.60 0.00 0.00 54.58 50.31 1r27 n ASN 488 Cb 0.15 -0.87 -0.07 0.00 -0.53 0.00 0.00 39.78 38.46 1r27 n ASN 488 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 1r27 s ASP 489 N -1.72 6.47 0.26 1.20 -1.08 -1.26 -4.96 116.67 115.57 1r27 s ASP 489 Ca 0.33 0.55 0.18 0.00 -0.52 0.00 0.00 52.55 53.10 1r27 s ASP 489 Cb 0.06 -2.21 0.08 0.00 -1.46 0.00 0.00 42.92 39.38 1r27 s ASP 489 CO -0.04 0.03 1.29 -0.37 0.52 0.00 0.00 175.17 176.60 1r27 h VAL 490 N 4.80 0.44 -0.06 1.11 -1.51 -1.96 -3.27 116.25 115.79 1r27 h VAL 490 Ca -0.40 -1.68 0.00 0.00 -1.23 0.00 0.00 66.70 63.40 1r27 h VAL 490 Cb 1.17 2.09 0.00 0.00 -2.13 0.00 0.00 31.29 32.41 1r27 h VAL 490 CO 0.74 0.25 0.00 0.59 -1.23 0.00 0.00 177.57 177.92 1r27 n ASN 491 N -3.03 1.03 -4.98 4.19 3.02 -1.26 -4.87 115.26 109.35 1r27 n ASN 491 Ca -0.00 -1.46 -0.20 0.00 -0.03 0.00 0.00 54.58 52.88 1r27 n ASN 491 Cb 0.68 -0.03 0.01 0.00 -0.61 0.00 0.00 39.78 39.83 1r27 n ASN 491 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1r27 s ALA 493 N -2.44 3.56 -0.01 0.00 0.00 -0.84 -4.92 121.76 117.10 1r27 s ALA 493 Ca 0.51 0.01 0.10 0.00 0.00 0.00 0.00 51.96 52.58 1r27 s ALA 493 Cb -0.10 -2.66 -0.23 0.00 0.00 0.00 0.00 23.12 20.13 1r27 s ALA 493 CO 0.35 0.32 0.79 1.79 0.00 0.00 0.00 175.76 179.00 1r27 h THR 494 N 3.77 1.03 -3.41 0.00 1.35 -1.92 -3.39 112.91 110.34 1r27 h THR 494 Ca -0.48 -2.84 -0.01 0.00 -0.55 0.00 0.00 66.41 62.52 1r27 h THR 494 Cb 1.21 2.53 -0.08 0.00 -1.73 0.00 0.00 68.15 70.08 1r27 h THR 494 CO 0.66 0.62 0.00 -0.55 -0.25 0.00 0.00 175.52 176.00 1r27 s SER 495 N -6.30 -0.16 0.58 5.36 0.15 -1.26 -5.01 113.70 107.07 1r27 s SER 495 Ca -0.04 -0.79 0.36 0.00 0.70 0.00 0.00 55.95 56.18 1r27 s SER 495 Cb 0.08 0.63 1.63 0.00 -1.71 0.00 0.00 66.02 66.65 1r27 s SER 495 CO 0.82 -1.20 2.08 1.88 1.20 0.00 0.00 173.24 178.02 1r27 h TYR 496 N 2.17 0.00 0.00 3.44 0.05 -2.01 -1.69 116.97 118.94 1r27 h TYR 496 Ca -0.24 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.54 1r27 h TYR 496 Cb 1.25 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.99 1r27 h TYR 496 CO 0.40 0.00 -0.11 -0.44 -1.05 0.00 0.00 178.16 176.96 1r27 h ASP 497 N 0.00 0.00 -3.17 3.88 3.32 -1.98 -2.70 116.42 115.77 1r27 h ASP 497 Ca 0.00 -0.03 -0.53 0.00 0.02 0.00 0.00 57.03 56.49 1r27 h ASP 497 Cb 0.39 0.00 0.01 0.00 0.22 0.00 0.00 39.33 39.94 1r27 h ASP 497 CO 0.00 0.02 0.59 -0.62 -1.72 0.00 0.00 179.24 177.50 1r27 s ASP 498 N -4.74 7.04 -1.29 6.45 2.15 -0.64 -4.79 116.67 120.85 1r27 s ASP 498 Ca 0.09 2.08 -0.17 0.00 0.43 0.00 0.00 52.55 54.98 1r27 s ASP 498 Cb 0.11 -2.58 0.09 0.00 -0.30 0.00 0.00 42.92 40.24 1r27 s ASP 498 CO 0.63 -0.50 1.71 0.52 -0.17 0.00 0.00 175.17 177.37 1r27 n VAL 499 N 3.88 3.98 -4.53 1.11 0.31 -1.26 -4.55 118.33 117.27 1r27 n VAL 499 Ca 0.09 -4.17 -0.25 0.00 -0.01 0.00 0.00 64.34 60.00 1r27 n VAL 499 Cb 0.46 -2.38 -0.10 0.00 -0.91 0.00 0.00 33.84 30.90 1r27 n VAL 499 CO 0.00 0.00 0.00 -0.54 -1.32 0.00 0.00 176.83 174.97 1r27 s LYS 500 N 3.71 1.78 -0.85 5.55 3.01 -1.26 -4.97 119.74 126.71 1r27 s LYS 500 Ca 0.52 -1.91 -0.26 0.00 -1.01 0.00 0.00 55.97 53.31 1r27 s LYS 500 Cb 0.03 -1.65 -0.19 0.00 -1.01 0.00 0.00 37.83 35.02 1r27 s LYS 500 CO 0.06 0.14 2.52 0.00 0.51 0.00 0.00 175.35 178.58 1r27 n ALA 501 N -0.76 0.55 -1.96 5.17 0.00 -1.26 -2.63 120.51 119.61 1r27 n ALA 501 Ca -0.05 -0.63 -0.01 0.00 0.00 0.00 0.00 53.44 52.75 1r27 n ALA 501 Cb 0.63 -2.62 0.00 0.00 0.00 0.00 0.00 19.45 17.47 1r27 n ALA 501 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1r27 n TYR 502 N 11.86 -0.12 -4.18 0.00 4.01 -1.26 -3.80 117.16 123.66 1r27 n TYR 502 Ca 0.57 0.05 -0.24 0.00 -0.16 0.00 0.00 57.90 58.12 1r27 n TYR 502 Cb 0.22 -2.27 -0.07 0.00 -0.31 0.00 0.00 39.34 36.91 1r27 n TYR 502 CO 0.00 0.00 0.00 0.95 -0.46 0.00 0.00 176.86 177.35 1r27 s THR 503 N -3.02 2.80 0.24 -0.72 -4.23 -1.08 -4.22 115.64 105.41 1r27 s THR 503 Ca 0.01 -1.79 -0.05 0.00 -1.18 0.00 0.00 61.69 58.68 1r27 s THR 503 Cb -0.00 -2.92 0.21 0.00 1.34 0.00 0.00 72.50 71.13 1r27 s THR 503 CO 0.04 -0.17 1.80 -0.65 -0.54 0.00 0.00 174.62 175.11 1r27 h PRO 504 N 1.62 0.73 -0.43 3.99 0.11 -1.80 -1.40 132.00 134.81 1r27 h PRO 504 Ca -0.43 -0.04 -0.02 0.00 0.11 0.00 0.00 66.00 65.61 1r27 h PRO 504 Cb 1.25 -0.16 -0.02 0.00 0.11 0.00 0.00 31.00 32.18 1r27 h PRO 504 CO 0.65 0.48 0.17 0.00 -0.21 0.00 0.00 178.00 179.09 1r27 h ALA 505 N 1.45 1.48 -0.23 -0.75 0.00 -1.75 0.15 119.26 119.61 1r27 h ALA 505 Ca 0.39 -0.12 -0.08 0.00 0.00 0.00 0.00 54.91 55.09 1r27 h ALA 505 Cb 0.37 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 17.98 1r27 h ALA 505 CO -0.25 0.40 -0.18 2.35 0.00 0.00 0.00 179.25 181.56 1r27 h TRP 506 N 0.61 0.63 -0.10 0.00 7.01 -1.55 -3.13 115.95 119.42 1r27 h TRP 506 Ca 0.15 -0.18 -0.11 0.00 2.11 0.00 0.00 58.89 60.86 1r27 h TRP 506 Cb 0.14 -0.14 -0.01 0.00 -2.10 0.00 0.00 29.16 27.05 1r27 h TRP 506 CO 0.01 0.84 -0.42 0.00 -2.79 0.00 0.00 178.44 176.08 1r27 h ALA 507 N 0.68 1.11 -0.36 2.65 0.00 -0.81 -2.70 119.26 119.83 1r27 h ALA 507 Ca 0.04 -0.41 0.00 0.00 0.00 0.00 0.00 54.91 54.54 1r27 h ALA 507 Cb 0.72 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.40 1r27 h ALA 507 CO 0.05 0.59 0.23 1.49 0.00 0.00 0.00 179.25 181.61 1r27 h GLU 508 N 0.20 0.48 -0.02 0.00 4.81 -0.70 0.18 114.58 119.53 1r27 h GLU 508 Ca 0.02 -0.03 -0.26 0.00 -0.13 0.00 0.00 59.36 58.96 1r27 h GLU 508 Cb 0.82 -0.11 0.02 0.00 0.63 0.00 0.00 28.75 30.11 1r27 h GLU 508 CO 0.06 0.32 -1.01 1.96 -0.73 0.00 0.00 179.01 179.62 1r27 h GLN 509 N 0.49 0.69 -0.00 1.92 4.20 -1.44 -1.33 115.11 119.63 1r27 h GLN 509 Ca 0.13 -0.72 -0.01 0.00 0.06 0.00 0.00 58.65 58.12 1r27 h GLN 509 Cb -0.04 0.20 0.00 0.00 0.30 0.00 0.00 27.48 27.94 1r27 h GLN 509 CO -0.03 1.30 -0.02 0.82 -0.67 0.00 0.00 178.83 180.24 1r27 h ILE 510 N 0.40 1.50 0.08 2.54 1.08 -1.16 -3.39 117.51 118.56 1r27 h ILE 510 Ca -0.12 -1.50 -0.33 0.00 -0.39 0.00 0.00 64.86 62.52 1r27 h ILE 510 Cb 1.66 2.51 -0.03 0.00 -3.07 0.00 0.00 36.82 37.89 1r27 h ILE 510 CO 0.20 0.39 -1.80 0.71 -0.69 0.00 0.00 178.15 176.96 1r27 h THR 511 N -0.61 0.81 0.00 -0.27 1.35 -0.79 -3.42 112.91 109.98 1r27 h THR 511 Ca -0.00 -2.56 0.00 0.00 -0.55 0.00 0.00 66.41 63.30 1r27 h THR 511 Cb 0.65 2.53 0.00 0.00 -1.73 0.00 0.00 68.15 69.60 1r27 h THR 511 CO 0.00 0.74 0.00 0.61 -0.25 0.00 0.00 175.52 176.62 1r27 n GLY 512 N 1.77 0.07 3.70 5.82 0.00 -0.50 -1.28 105.19 114.78 1r27 n GLY 512 Ca -0.23 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.37 1r27 n GLY 512 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1r27 s VAL 513 N -2.00 4.85 0.25 1.61 1.01 -1.26 -4.98 120.40 119.88 1r27 s VAL 513 Ca 0.00 2.05 -0.29 0.00 0.00 0.00 0.00 61.98 63.74 1r27 s VAL 513 Cb 0.00 -4.32 -0.15 0.00 0.00 0.00 0.00 36.38 31.92 1r27 s VAL 513 CO 0.00 0.12 1.04 -0.24 0.00 0.00 0.00 175.10 176.02 1r27 n SER 514 N 4.20 1.23 0.04 3.32 2.88 -1.26 -4.13 113.62 119.89 1r27 n SER 514 Ca 0.07 1.17 0.02 0.00 -1.33 0.00 0.00 58.87 58.79 1r27 n SER 514 Cb 0.50 -1.26 0.38 0.00 -0.75 0.00 0.00 64.21 63.08 1r27 n SER 514 CO 0.00 0.00 0.00 0.08 -1.23 0.00 0.00 175.04 173.89 1r27 h ARG 515 N 2.39 0.44 -0.28 -1.46 0.11 -1.94 -2.03 114.38 111.60 1r27 h ARG 515 Ca -0.40 -0.07 -0.04 0.00 0.10 0.00 0.00 59.98 59.57 1r27 h ARG 515 Cb 1.34 -0.08 -0.02 0.00 1.11 0.00 0.00 29.97 32.33 1r27 h ARG 515 CO 0.63 0.42 0.01 0.66 0.10 0.00 0.00 179.97 181.80 1r27 h SER 516 N 0.43 0.39 -0.14 0.08 4.64 -1.94 -1.39 113.55 115.62 1r27 h SER 516 Ca 0.10 -0.06 -0.12 0.00 -0.47 0.00 0.00 61.79 61.24 1r27 h SER 516 Cb 0.20 -0.10 0.00 0.00 -0.31 0.00 0.00 62.40 62.19 1r27 h SER 516 CO -0.00 0.45 -0.40 1.56 -0.87 0.00 0.00 176.83 177.57 1r27 h GLN 517 N 0.41 0.51 -0.41 4.77 1.08 -1.74 -1.39 115.11 118.35 1r27 h GLN 517 Ca 0.09 -0.37 -0.01 0.00 -1.45 0.00 0.00 58.65 56.91 1r27 h GLN 517 Cb 0.26 0.06 -0.02 0.00 -0.05 0.00 0.00 27.48 27.73 1r27 h GLN 517 CO 0.01 0.99 0.20 0.82 -0.95 0.00 0.00 178.83 179.89 1r27 h ILE 518 N 0.13 1.14 0.01 2.54 2.04 -1.13 -1.93 117.51 120.31 1r27 h ILE 518 Ca -0.01 -0.38 -0.04 0.00 1.00 0.00 0.00 64.86 65.43 1r27 h ILE 518 Cb 1.02 0.62 0.00 0.00 -0.74 0.00 0.00 36.82 37.72 1r27 h ILE 518 CO 0.09 0.16 -0.15 0.40 0.00 0.00 0.00 178.15 178.64 1r27 h ILE 519 N 0.56 1.62 -0.06 -0.67 2.04 -1.22 -2.77 117.51 117.01 1r27 h ILE 519 Ca 0.14 -2.03 0.01 0.00 1.00 0.00 0.00 64.86 63.98 1r27 h ILE 519 Cb 0.05 2.96 -0.01 0.00 -0.74 0.00 0.00 36.82 39.08 1r27 h ILE 519 CO -0.02 0.54 -0.02 -0.09 0.00 0.00 0.00 178.15 178.56 1r27 h ARG 520 N -0.69 -0.01 -0.45 2.37 2.43 -1.14 -1.88 114.38 115.02 1r27 h ARG 520 Ca -0.02 0.00 -0.09 0.00 -0.81 0.00 0.00 59.98 59.06 1r27 h ARG 520 Cb 0.97 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 30.51 1r27 h ARG 520 CO 0.03 -0.00 -0.09 0.82 -1.51 0.00 0.00 179.97 179.21 1r27 h ILE 521 N -0.01 1.26 -0.41 1.20 1.08 -1.49 -1.15 117.51 117.99 1r27 h ILE 521 Ca 0.03 -1.15 -0.03 0.00 -0.39 0.00 0.00 64.86 63.31 1r27 h ILE 521 Cb 0.05 1.02 -0.02 0.00 -3.07 0.00 0.00 36.82 34.80 1r27 h ILE 521 CO -0.06 0.40 0.11 0.00 -0.69 0.00 0.00 178.15 177.90 1r27 h ALA 522 N 1.17 1.44 -0.00 1.87 0.00 -1.31 -1.26 119.26 121.17 1r27 h ALA 522 Ca 0.12 -0.15 -0.00 0.00 0.00 0.00 0.00 54.91 54.88 1r27 h ALA 522 Cb 0.57 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.19 1r27 h ALA 522 CO 0.04 0.42 -0.02 0.00 0.00 0.00 0.00 179.25 179.69 1r27 h ARG 523 N 0.58 0.02 -0.85 0.00 3.08 -0.87 -2.63 114.38 113.71 1r27 h ARG 523 Ca 0.14 -0.01 0.04 0.00 0.07 0.00 0.00 59.98 60.21 1r27 h ARG 523 Cb 0.20 0.00 -0.05 0.00 0.08 0.00 0.00 29.97 30.20 1r27 h ARG 523 CO -0.01 0.65 0.55 0.93 -1.07 0.00 0.00 179.97 181.02 1r27 h GLU 524 N -0.61 1.02 0.32 0.04 5.08 -1.11 0.39 114.58 119.72 1r27 h GLU 524 Ca -0.00 -0.06 -0.01 0.00 -1.00 0.00 0.00 59.36 58.29 1r27 h GLU 524 Cb 0.65 -0.23 -0.01 0.00 0.50 0.00 0.00 28.75 29.67 1r27 h GLU 524 CO 0.00 0.68 -0.21 0.35 -1.00 0.00 0.00 179.01 178.83 1r27 h PHE 525 N 1.05 -0.55 -0.49 4.33 3.57 -1.29 0.03 116.94 123.60 1r27 h PHE 525 Ca 0.35 -0.00 -0.06 0.00 3.53 0.00 0.00 57.97 61.78 1r27 h PHE 525 Cb 0.03 0.20 -0.02 0.00 2.79 0.00 0.00 35.95 38.95 1r27 h PHE 525 CO -0.02 -0.32 0.07 0.00 -2.23 0.00 0.00 178.31 175.81 1r27 h ALA 526 N 0.13 0.65 -0.66 2.41 0.00 -1.13 -1.55 119.26 119.12 1r27 h ALA 526 Ca -0.03 -0.24 -0.02 0.00 0.00 0.00 0.00 54.91 54.63 1r27 h ALA 526 Cb 0.44 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 18.01 1r27 h ALA 526 CO 0.02 0.39 0.35 0.22 0.00 0.00 0.00 179.25 180.23 1r27 h ASP 527 N 0.69 0.81 -0.32 0.00 3.58 -0.11 0.13 116.42 121.20 1r27 h ASP 527 Ca 0.15 -0.07 -0.16 0.00 0.42 0.00 0.00 57.03 57.37 1r27 h ASP 527 Cb 0.40 -0.21 -0.00 0.00 1.72 0.00 0.00 39.33 41.24 1r27 h ASP 527 CO 0.01 0.67 -0.44 -1.13 -2.88 0.00 0.00 179.24 175.47 1r27 h ASN 528 N 0.92 0.94 -0.36 2.28 -0.73 -0.76 -1.81 115.58 116.05 1r27 h ASN 528 Ca 0.23 -0.50 -0.10 0.00 1.87 0.00 0.00 56.30 57.80 1r27 h ASN 528 Cb 0.04 -0.27 -0.02 0.00 0.27 0.00 0.00 38.32 38.35 1r27 h ASN 528 CO -0.04 1.25 -0.13 0.00 -0.37 0.00 0.00 177.43 178.15 1r27 h ALA 529 N 0.71 0.94 -0.34 1.57 0.00 -0.78 -1.96 119.26 119.40 1r27 h ALA 529 Ca 0.04 -0.33 -0.04 0.00 0.00 0.00 0.00 54.91 54.58 1r27 h ALA 529 Cb 1.04 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.64 1r27 h ALA 529 CO 0.10 0.62 0.07 0.22 0.00 0.00 0.00 179.25 180.26 1r27 h ASP 530 N 0.73 0.53 1.50 0.00 3.58 -0.66 0.42 116.42 122.51 1r27 h ASP 530 Ca 0.12 -0.24 0.00 0.00 0.42 0.00 0.00 57.03 57.33 1r27 h ASP 530 Cb 0.63 -0.14 0.00 0.00 1.72 0.00 0.00 39.33 41.54 1r27 h ASP 530 CO 0.04 0.63 0.00 0.11 -2.88 0.00 0.00 179.24 177.14 1r27 h LYS 531 N 0.40 0.00 -0.01 0.28 1.57 -1.25 -3.25 116.57 114.31 1r27 h LYS 531 Ca 0.11 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.89 1r27 h LYS 531 Cb 0.32 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.63 1r27 h LYS 531 CO 0.00 0.00 -0.20 0.25 -0.57 0.00 0.00 179.45 178.94 1r27 n THR 532 N -2.73 0.00 -2.69 -0.16 -2.24 -0.74 -5.02 114.28 100.70 1r27 n THR 532 Ca 0.04 -0.40 -0.09 0.00 -2.27 0.00 0.00 64.05 61.32 1r27 n THR 532 Cb 0.42 1.10 0.05 0.00 -2.10 0.00 0.00 70.33 69.79 1r27 n THR 532 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 1r27 n HIS 533 N -0.35 -1.33 -0.74 4.78 8.25 0.11 -4.34 115.22 121.60 1r27 n HIS 533 Ca 0.03 0.52 0.00 0.00 -0.26 0.00 0.00 57.72 58.02 1r27 n HIS 533 Cb 0.18 -3.63 0.00 0.00 1.12 0.00 0.00 29.99 27.66 1r27 n HIS 533 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1r27 n GLY 534 N -1.19 0.82 2.36 -1.41 0.00 0.10 -4.91 105.19 100.96 1r27 n GLY 534 Ca -0.11 -0.56 -0.29 0.00 0.00 0.00 0.00 46.02 45.06 1r27 n GLY 534 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1r27 n ARG 535 N -2.01 2.38 -4.78 1.61 1.74 -1.26 -3.58 116.66 110.76 1r27 n ARG 535 Ca 0.00 -2.62 -0.33 0.00 -0.77 0.00 0.00 57.85 54.13 1r27 n ARG 535 Cb 0.10 -2.06 -0.14 0.00 -1.02 0.00 0.00 32.46 29.34 1r27 n ARG 535 CO 0.00 0.00 0.00 -1.12 -1.52 0.00 0.00 177.63 174.99 1r27 s SER 536 N -0.59 4.08 0.07 0.55 0.01 -1.24 -1.66 113.70 114.92 1r27 s SER 536 Ca 0.51 -0.27 0.05 0.00 1.31 0.00 0.00 55.95 57.55 1r27 s SER 536 Cb 0.39 -1.41 -0.03 0.00 0.21 0.00 0.00 66.02 65.18 1r27 s SER 536 CO -0.14 0.22 -0.14 -0.32 0.41 0.00 0.00 173.24 173.27 1r27 s MET 537 N 0.03 0.82 -0.18 12.44 0.00 0.01 -1.85 119.30 130.56 1r27 s MET 537 Ca -0.04 -0.96 0.01 0.00 0.00 0.00 0.00 55.69 54.69 1r27 s MET 537 Cb -0.14 -0.81 0.04 0.00 0.00 0.00 0.00 34.83 33.91 1r27 s MET 537 CO 0.04 0.18 -0.10 0.42 0.00 0.00 0.00 175.02 175.56 1r27 s ILE 538 N -1.32 1.55 -0.30 10.11 1.01 -0.78 -1.62 121.20 129.85 1r27 s ILE 538 Ca -0.02 -0.88 -0.18 0.00 0.00 0.00 0.00 60.65 59.57 1r27 s ILE 538 Cb -0.10 -1.61 -0.02 0.00 0.01 0.00 0.00 42.46 40.75 1r27 s ILE 538 CO 0.02 0.22 0.51 -0.63 0.00 0.00 0.00 174.94 175.06 1r27 s ILE 539 N 1.45 5.05 0.05 2.92 1.01 -0.53 -0.74 121.20 130.41 1r27 s ILE 539 Ca 0.00 0.64 0.07 0.00 0.00 0.00 0.00 60.65 61.37 1r27 s ILE 539 Cb -0.15 -3.88 -0.03 0.00 0.01 0.00 0.00 42.46 38.41 1r27 s ILE 539 CO -0.09 -0.04 -0.19 0.54 0.00 0.00 0.00 174.94 175.16 1r27 s VAL 540 N 2.35 1.57 0.00 2.92 0.11 0.17 -0.68 120.40 126.84 1r27 s VAL 540 Ca 0.20 -1.21 0.00 0.00 -2.93 0.00 0.00 61.98 58.04 1r27 s VAL 540 Cb -0.15 -1.38 0.00 0.00 -1.53 0.00 0.00 36.38 33.31 1r27 s VAL 540 CO 0.11 0.13 0.00 0.61 -3.33 0.00 0.00 175.10 172.62 1r27 n GLY 541 N 1.75 5.82 0.29 6.54 0.00 -1.03 -2.15 105.19 116.41 1r27 n GLY 541 Ca -0.18 -1.54 0.19 0.00 0.00 0.00 0.00 46.02 44.49 1r27 n GLY 541 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1r27 h ALA 542 N 1.00 1.00 -0.78 4.61 0.00 -1.78 -1.48 119.26 121.82 1r27 h ALA 542 Ca 0.00 0.00 0.20 0.00 0.00 0.00 0.00 54.91 55.11 1r27 h ALA 542 Cb 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 17.75 1r27 h ALA 542 CO 0.00 0.00 0.54 0.78 0.00 0.00 0.00 179.25 180.57 1r27 h GLY 543 N 1.22 0.38 0.00 0.00 0.00 -1.74 -1.86 103.07 101.07 1r27 h GLY 543 Ca 0.00 -0.09 -0.24 0.00 0.00 0.00 0.00 47.33 47.00 1r27 h GLY 543 CO 0.00 0.01 -1.93 1.04 0.00 0.00 0.00 176.54 175.66 1r27 n LEU 544 N -4.40 2.20 0.00 3.11 4.32 -0.86 -4.65 117.00 116.71 1r27 n LEU 544 Ca 0.16 -0.07 0.11 0.00 -0.02 0.00 0.00 56.01 56.19 1r27 n LEU 544 Cb 0.72 -0.34 0.51 0.00 -1.62 0.00 0.00 43.42 42.69 1r27 n LEU 544 CO 0.35 0.66 0.85 -3.20 -1.22 0.00 0.00 177.39 174.83 1r27 n ASN 545 N -2.85 0.00 -1.22 -1.43 5.15 -0.61 -3.41 115.26 110.89 1r27 n ASN 545 Ca -0.27 0.26 0.11 0.00 -0.60 0.00 0.00 54.58 54.09 1r27 n ASN 545 Cb 0.84 -0.41 0.28 0.00 -0.53 0.00 0.00 39.78 39.97 1r27 n ASN 545 CO 0.00 0.00 0.00 1.41 1.40 0.00 0.00 177.26 180.07 1r27 n HIS 546 N -1.41 0.78 -2.52 1.20 8.25 -0.72 -4.77 115.22 116.04 1r27 n HIS 546 Ca 0.08 -0.39 -0.28 0.00 -0.26 0.00 0.00 57.72 56.86 1r27 n HIS 546 Cb 0.22 0.00 -0.00 0.00 1.12 0.00 0.00 29.99 31.33 1r27 n HIS 546 CO 0.00 0.00 0.00 -1.58 0.64 0.00 0.00 176.34 175.40 1r27 s TRP 547 N -1.22 3.57 0.33 4.41 0.52 -1.22 -0.36 118.94 124.97 1r27 s TRP 547 Ca 0.44 0.93 0.01 0.00 0.02 0.00 0.00 56.10 57.50 1r27 s TRP 547 Cb 0.23 -2.40 0.58 0.00 -1.15 0.00 0.00 33.47 30.73 1r27 s TRP 547 CO 0.31 -0.34 1.99 -0.92 0.02 0.00 0.00 176.95 178.02 1r27 h TYR 548 N 0.24 0.85 -1.55 -1.98 3.20 -1.92 -2.38 116.97 113.45 1r27 h TYR 548 Ca -0.46 0.01 -0.72 0.00 3.14 0.00 0.00 58.73 60.70 1r27 h TYR 548 Cb 1.20 -0.29 -0.29 0.00 1.54 0.00 0.00 36.73 38.89 1r27 h TYR 548 CO 0.60 0.55 0.80 0.72 -1.64 0.00 0.00 178.16 179.19 1r27 n HIS 549 N -4.42 3.09 -0.34 -3.82 8.25 -1.26 -4.71 115.22 112.00 1r27 n HIS 549 Ca 0.07 -2.63 0.05 0.00 -0.26 0.00 0.00 57.72 54.95 1r27 n HIS 549 Cb 0.05 -1.18 0.23 0.00 1.12 0.00 0.00 29.99 30.21 1r27 n HIS 549 CO 0.00 0.00 0.00 1.37 0.64 0.00 0.00 176.34 178.35 1r27 h LEU 550 N 2.57 0.94 -1.88 2.41 -0.00 -1.67 -2.14 115.31 115.54 1r27 h LEU 550 Ca 0.56 0.03 0.01 0.00 -0.00 0.00 0.00 57.88 58.47 1r27 h LEU 550 Cb 0.44 -0.17 -0.01 0.00 -0.00 0.00 0.00 40.66 40.92 1r27 h LEU 550 CO 1.43 0.56 0.10 -2.24 -0.00 0.00 0.00 178.44 178.29 1r27 h ASP 551 N 1.04 0.14 0.01 0.17 -0.00 -1.88 0.71 116.42 116.61 1r27 h ASP 551 Ca 0.45 -0.00 -0.25 0.00 -0.00 0.00 0.00 57.03 57.23 1r27 h ASP 551 Cb 0.33 -0.03 0.02 0.00 -0.00 0.00 0.00 39.33 39.65 1r27 h ASP 551 CO -0.20 0.10 -0.98 0.24 -0.00 0.00 0.00 179.24 178.39 1r27 h MET 552 N 0.16 0.64 -0.35 4.15 2.86 -1.73 0.26 114.93 120.92 1r27 h MET 552 Ca 0.06 -0.71 0.01 0.00 -2.06 0.00 0.00 59.70 57.00 1r27 h MET 552 Cb 0.04 0.21 -0.02 0.00 0.06 0.00 0.00 31.60 31.88 1r27 h MET 552 CO -0.01 1.30 0.22 -0.91 1.06 0.00 0.00 176.91 178.56 1r27 h ASN 553 N 0.29 0.36 -0.19 1.22 2.35 -1.15 -1.12 115.58 117.34 1r27 h ASN 553 Ca -0.13 -0.00 -0.09 0.00 -0.55 0.00 0.00 56.30 55.53 1r27 h ASN 553 Cb 1.65 -0.08 -0.00 0.00 0.05 0.00 0.00 38.32 39.94 1r27 h ASN 553 CO 0.19 0.26 -0.25 1.88 -1.65 0.00 0.00 177.43 177.87 1r27 h TYR 554 N 0.44 0.62 0.00 1.19 -1.99 -0.90 -2.87 116.97 113.46 1r27 h TYR 554 Ca 0.14 -0.20 -0.03 0.00 2.00 0.00 0.00 58.73 60.64 1r27 h TYR 554 Cb -0.02 -0.12 -0.00 0.00 2.00 0.00 0.00 36.73 38.58 1r27 h TYR 554 CO -0.07 0.89 -0.12 0.00 -0.00 0.00 0.00 178.16 178.87 1r27 h ARG 555 N 0.17 0.00 -0.42 4.88 3.08 -0.88 0.25 114.38 121.47 1r27 h ARG 555 Ca 0.02 0.00 -0.11 0.00 0.07 0.00 0.00 59.98 59.96 1r27 h ARG 555 Cb 0.81 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.85 1r27 h ARG 555 CO 0.06 0.12 -0.19 0.78 -1.07 0.00 0.00 179.97 179.67 1r27 h GLY 556 N 0.83 0.93 1.23 0.04 0.00 -1.08 -1.25 103.07 103.78 1r27 h GLY 556 Ca -0.00 -0.83 -0.30 0.00 0.00 0.00 0.00 47.33 46.20 1r27 h GLY 556 CO 0.02 0.75 -1.23 1.41 0.00 0.00 0.00 176.54 177.49 1r27 h LEU 557 N 0.68 0.89 -0.71 3.11 3.38 -1.12 -3.21 115.31 118.33 1r27 h LEU 557 Ca 0.09 -0.81 0.03 0.00 0.09 0.00 0.00 57.88 57.28 1r27 h LEU 557 Cb 0.74 -0.28 -0.04 0.00 0.09 0.00 0.00 40.66 41.17 1r27 h LEU 557 CO 0.06 1.61 0.45 0.40 0.09 0.00 0.00 178.44 181.05 1r27 h ILE 558 N 0.30 1.10 -0.95 1.22 2.04 -0.51 -2.31 117.51 118.40 1r27 h ILE 558 Ca -0.18 -0.30 0.00 0.00 1.00 0.00 0.00 64.86 65.38 1r27 h ILE 558 Cb 1.90 0.15 -0.05 0.00 -0.74 0.00 0.00 36.82 38.08 1r27 h ILE 558 CO 0.24 0.16 0.60 0.78 0.00 0.00 0.00 178.15 179.92 1r27 h ASN 559 N 0.88 1.12 -0.60 1.72 4.21 -1.29 0.39 115.58 122.01 1r27 h ASN 559 Ca 0.28 -0.05 -0.00 0.00 1.21 0.00 0.00 56.30 57.74 1r27 h ASN 559 Cb 0.01 -0.28 -0.03 0.00 -1.12 0.00 0.00 38.32 36.90 1r27 h ASN 559 CO -0.10 0.84 0.35 0.24 -1.29 0.00 0.00 177.43 177.47 1r27 h MET 560 N 1.30 0.81 -0.39 0.81 2.86 -1.43 0.18 114.93 119.08 1r27 h MET 560 Ca 0.34 -0.08 -0.13 0.00 -2.06 0.00 0.00 59.70 57.78 1r27 h MET 560 Cb -0.10 -0.17 -0.01 0.00 0.06 0.00 0.00 31.60 31.38 1r27 h MET 560 CO -0.07 0.59 -0.28 -0.07 1.06 0.00 0.00 176.91 178.14 1r27 h LEU 561 N 0.81 0.84 -0.06 1.22 3.38 -1.01 -2.61 115.31 117.87 1r27 h LEU 561 Ca 0.21 -0.33 -0.02 0.00 0.09 0.00 0.00 57.88 57.83 1r27 h LEU 561 Cb -0.01 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 40.51 1r27 h LEU 561 CO -0.04 1.07 -0.06 0.40 0.09 0.00 0.00 178.44 179.90 1r27 h ILE 562 N 0.70 1.38 -0.32 1.22 2.04 -0.62 0.47 117.51 122.38 1r27 h ILE 562 Ca 0.08 -1.22 0.09 0.00 1.00 0.00 0.00 64.86 64.82 1r27 h ILE 562 Cb 0.81 2.06 -0.01 0.00 -0.74 0.00 0.00 36.82 38.95 1r27 h ILE 562 CO 0.07 0.33 0.26 -0.26 0.00 0.00 0.00 178.15 178.55 1r27 h PHE 563 N -0.30 0.00 -0.70 1.37 0.04 -0.64 0.16 116.94 116.87 1r27 h PHE 563 Ca 0.01 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.78 1r27 h PHE 563 Cb 0.57 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.72 1r27 h PHE 563 CO 0.09 0.00 0.00 0.00 -0.60 0.00 0.00 178.31 177.80 1r27 n GLY 565 N 1.45 -0.23 0.03 0.00 0.00 0.56 -4.25 105.19 102.76 1r27 n GLY 565 Ca 0.25 0.15 0.10 0.00 0.00 0.00 0.00 46.02 46.51 1r27 n GLY 565 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1r27 s VAL 567 N -3.42 4.24 0.00 0.00 1.01 -1.26 -2.50 120.40 118.47 1r27 s VAL 567 Ca -0.07 1.50 0.00 0.00 0.00 0.00 0.00 61.98 63.41 1r27 s VAL 567 Cb 0.13 -3.98 0.00 0.00 0.00 0.00 0.00 36.38 32.53 1r27 s VAL 567 CO 0.89 -0.15 0.00 0.61 0.00 0.00 0.00 175.10 176.45 1r27 n GLY 568 N 3.67 0.63 3.43 4.51 0.00 -1.19 -4.93 105.19 111.31 1r27 n GLY 568 Ca 0.14 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.83 1r27 n GLY 568 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1r27 s GLN 569 N -0.99 3.00 0.09 1.61 -1.52 -1.18 -4.12 119.66 116.55 1r27 s GLN 569 Ca 0.00 -0.68 -0.32 0.00 -1.95 0.00 0.00 55.36 52.41 1r27 s GLN 569 Cb 0.00 -2.53 -0.11 0.00 -0.22 0.00 0.00 33.01 30.15 1r27 s GLN 569 CO 0.00 0.40 1.81 0.45 -0.25 0.00 0.00 175.29 177.70 1r27 n SER 570 N 2.97 3.79 0.00 5.90 2.88 -1.26 -1.17 113.62 126.72 1r27 n SER 570 Ca -0.18 1.00 0.00 0.00 -1.33 0.00 0.00 58.87 58.36 1r27 n SER 570 Cb 0.52 -1.49 0.00 0.00 -0.75 0.00 0.00 64.21 62.49 1r27 n SER 570 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1r27 n GLY 571 N 4.15 0.58 3.22 0.46 0.00 -1.26 -4.77 105.19 107.57 1r27 n GLY 571 Ca 0.19 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.08 1r27 n GLY 571 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1r27 s GLY 572 N -1.21 1.31 0.00 -0.02 0.00 -0.32 -3.62 107.32 103.46 1r27 s GLY 572 Ca 0.00 -1.64 0.00 0.00 0.00 0.00 0.00 44.72 43.08 1r27 s GLY 572 CO 0.00 -1.47 0.00 0.61 0.00 0.00 0.00 173.10 172.24 1r27 n GLY 573 N -0.25 0.62 3.44 0.20 0.00 -0.77 -4.52 105.19 103.90 1r27 n GLY 573 Ca -0.03 -2.23 -0.43 0.00 0.00 0.00 0.00 46.02 43.32 1r27 n GLY 573 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 1r27 s TRP 574 N -0.70 2.75 -1.08 1.61 -0.00 -1.26 -1.87 118.94 118.39 1r27 s TRP 574 Ca 0.00 -0.65 -0.10 0.00 -0.00 0.00 0.00 56.10 55.34 1r27 s TRP 574 Cb 0.00 -4.24 0.26 0.00 -0.00 0.00 0.00 33.47 29.49 1r27 s TRP 574 CO 0.00 -1.58 1.10 0.00 -0.00 0.00 0.00 176.95 176.47 1r27 s ALA 575 N 3.76 4.55 -0.37 5.86 0.00 0.08 -4.55 121.76 131.09 1r27 s ALA 575 Ca 0.20 -3.70 -0.21 0.00 0.00 0.00 0.00 51.96 48.25 1r27 s ALA 575 Cb -0.18 -3.63 0.01 0.00 0.00 0.00 0.00 23.12 19.32 1r27 s ALA 575 CO 0.09 -2.29 0.67 -1.58 0.00 0.00 0.00 175.76 172.65 1r27 s HIS 576 N -0.70 3.12 -0.08 0.00 5.04 -1.26 -0.65 115.29 120.77 1r27 s HIS 576 Ca 0.30 0.32 0.04 0.00 -1.54 0.00 0.00 55.06 54.18 1r27 s HIS 576 Cb -0.09 -3.24 0.00 0.00 0.04 0.00 0.00 32.58 29.29 1r27 s HIS 576 CO -0.07 -0.70 -0.20 0.71 -2.34 0.00 0.00 174.74 172.14 1r27 s TYR 577 N 2.83 2.09 0.00 3.88 2.02 -0.91 -4.88 117.35 122.38 1r27 s TYR 577 Ca 0.26 -0.78 0.00 0.00 -0.37 0.00 0.00 57.07 56.18 1r27 s TYR 577 Cb -0.14 -1.42 0.00 0.00 -0.40 0.00 0.00 41.96 40.00 1r27 s TYR 577 CO 0.16 -0.32 0.00 1.33 -1.57 0.00 0.00 175.55 175.16 1r27 n VAL 578 N 3.48 0.00 -2.75 0.71 0.24 -1.26 -4.48 118.33 114.27 1r27 n VAL 578 Ca -0.20 0.00 -0.22 0.00 -2.04 0.00 0.00 64.34 61.88 1r27 n VAL 578 Cb 0.52 0.00 0.08 0.00 -1.47 0.00 0.00 33.84 32.98 1r27 n VAL 578 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 1r27 s GLY 579 N 0.00 1.77 -1.06 7.63 0.00 -1.26 -4.80 107.32 109.60 1r27 s GLY 579 Ca 0.00 -1.83 -0.07 0.00 0.00 0.00 0.00 44.72 42.83 1r27 s GLY 579 CO 0.00 -1.33 2.28 -0.18 0.00 0.00 0.00 173.10 173.87 1r27 n GLN 580 N -2.56 2.41 -0.10 2.90 7.27 -1.26 -4.62 117.38 121.43 1r27 n GLN 580 Ca 0.14 -1.61 -0.07 0.00 0.07 0.00 0.00 57.00 55.53 1r27 n GLN 580 Cb 0.61 -2.53 0.11 0.00 2.41 0.00 0.00 30.24 30.84 1r27 n GLN 580 CO 0.00 0.00 0.00 1.49 0.07 0.00 0.00 177.06 178.62 1r27 h GLU 581 N 6.06 0.78 -6.28 3.69 4.22 -1.93 -3.39 114.58 117.72 1r27 h GLU 581 Ca 0.57 -0.28 -0.55 0.00 0.08 0.00 0.00 59.36 59.19 1r27 h GLU 581 Cb 0.19 -0.06 -0.09 0.00 0.50 0.00 0.00 28.75 29.30 1r27 h GLU 581 CO 1.52 0.88 1.03 0.21 -2.18 0.00 0.00 179.01 180.48 1r27 s LYS 582 N -4.75 3.20 -0.69 1.92 2.20 -1.26 -4.84 119.74 115.51 1r27 s LYS 582 Ca -0.09 -0.31 -0.18 0.00 -0.36 0.00 0.00 55.97 55.03 1r27 s LYS 582 Cb 0.14 -4.22 0.13 0.00 -1.51 0.00 0.00 37.83 32.37 1r27 s LYS 582 CO 0.83 -2.13 0.78 -1.17 -0.36 0.00 0.00 175.35 173.30 1r27 s LEU 583 N 5.59 5.63 0.15 5.43 0.20 -1.26 -3.92 118.68 130.49 1r27 s LEU 583 Ca 0.34 -1.80 -0.23 0.00 0.69 0.00 0.00 54.13 53.14 1r27 s LEU 583 Cb -0.08 -2.30 0.03 0.00 -0.43 0.00 0.00 46.19 43.40 1r27 s LEU 583 CO 0.14 -0.99 1.62 0.03 -0.29 0.00 0.00 176.35 176.86 1r27 h ARG 584 N 8.85 -0.26 -2.07 1.98 3.08 -1.91 -2.85 114.38 121.20 1r27 h ARG 584 Ca -0.14 0.02 -0.16 0.00 0.07 0.00 0.00 59.98 59.77 1r27 h ARG 584 Cb 1.07 0.06 -0.06 0.00 0.08 0.00 0.00 29.97 31.12 1r27 h ARG 584 CO 1.03 -0.17 -0.29 -0.35 -1.07 0.00 0.00 179.97 179.12 1r27 n PRO 585 N -5.38 1.76 -0.05 0.04 -0.04 -1.26 -4.71 135.00 125.35 1r27 n PRO 585 Ca -0.01 -0.84 -0.11 0.00 -0.04 0.00 0.00 63.50 62.51 1r27 n PRO 585 Cb 0.30 -1.88 -0.05 0.00 -0.04 0.00 0.00 33.50 31.83 1r27 n PRO 585 CO 0.00 0.00 0.00 0.37 -0.04 0.00 0.00 175.50 175.83 1r27 h GLN 586 N 3.07 -0.38 0.00 0.54 4.15 -1.91 -2.08 115.11 118.50 1r27 h GLN 586 Ca 0.16 0.03 0.00 0.00 0.77 0.00 0.00 58.65 59.61 1r27 h GLN 586 Cb 1.36 0.09 0.00 0.00 0.21 0.00 0.00 27.48 29.13 1r27 h GLN 586 CO 0.23 -0.25 0.00 0.25 -1.93 0.00 0.00 178.83 177.13 1r27 n THR 587 N -5.42 1.04 -0.00 2.39 -2.24 -1.26 -0.96 114.28 107.82 1r27 n THR 587 Ca -0.02 0.30 -0.12 0.00 -2.27 0.00 0.00 64.05 61.94 1r27 n THR 587 Cb 0.35 -1.16 -0.14 0.00 -2.10 0.00 0.00 70.33 67.28 1r27 n THR 587 CO 0.00 0.00 0.00 1.23 -0.57 0.00 0.00 175.07 175.73 1r27 h GLY 588 N 2.00 0.10 1.19 3.38 0.00 -1.63 -3.39 103.07 104.71 1r27 h GLY 588 Ca 0.00 -0.25 -0.32 0.00 0.00 0.00 0.00 47.33 46.75 1r27 h GLY 588 CO 0.00 0.22 -1.43 -0.25 0.00 0.00 0.00 176.54 175.08 1r27 h TRP 589 N 0.02 0.94 -0.47 5.60 7.01 -0.76 -3.38 115.95 124.93 1r27 h TRP 589 Ca -0.29 -0.69 0.09 0.00 2.11 0.00 0.00 58.89 60.11 1r27 h TRP 589 Cb 2.00 -0.04 -0.07 0.00 -2.10 0.00 0.00 29.16 28.95 1r27 h TRP 589 CO 0.02 1.55 0.02 1.96 -2.79 0.00 0.00 178.44 179.20 1r27 h GLN 590 N 0.09 0.14 0.00 2.65 4.20 -1.24 -0.81 115.11 120.14 1r27 h GLN 590 Ca -0.25 -0.01 -0.03 0.00 0.06 0.00 0.00 58.65 58.42 1r27 h GLN 590 Cb 2.12 -0.03 -0.00 0.00 0.30 0.00 0.00 27.48 29.87 1r27 h GLN 590 CO 0.26 0.09 -0.16 -1.00 -0.67 0.00 0.00 178.83 177.35 1r27 h PRO 591 N 0.14 0.00 0.05 1.46 0.13 -1.76 -1.42 132.00 130.60 1r27 h PRO 591 Ca 0.24 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.36 1r27 h PRO 591 Cb 0.34 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.47 1r27 h PRO 591 CO -0.37 0.16 -0.02 1.25 -0.23 0.00 0.00 178.00 178.79 1r27 h LEU 592 N 0.00 -0.05 -0.99 1.56 5.85 -1.48 -1.85 115.31 118.35 1r27 h LEU 592 Ca -0.00 -0.58 -0.03 0.00 0.84 0.00 0.00 57.88 58.11 1r27 h LEU 592 Cb 0.32 0.01 -0.03 0.00 0.37 0.00 0.00 40.66 41.33 1r27 h LEU 592 CO 0.02 0.60 0.36 0.00 -0.34 0.00 0.00 178.44 179.07 1r27 h ALA 593 N 0.12 1.21 -0.28 1.25 0.00 -1.00 -3.12 119.26 117.45 1r27 h ALA 593 Ca -0.01 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.75 1r27 h ALA 593 Cb 0.63 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 18.12 1r27 h ALA 593 CO 0.01 0.60 0.00 1.19 0.00 0.00 0.00 179.25 181.05 1r27 n PHE 594 N -4.32 0.94 -3.36 0.00 3.72 -0.55 -1.15 117.46 112.73 1r27 n PHE 594 Ca 0.07 -0.84 -0.24 0.00 -0.05 0.00 0.00 57.45 56.39 1r27 n PHE 594 Cb 0.14 -0.30 0.01 0.00 -0.94 0.00 0.00 39.48 38.39 1r27 n PHE 594 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1r27 n ALA 595 N -0.40 -1.07 0.69 4.37 0.00 -0.98 -4.75 120.51 118.37 1r27 n ALA 595 Ca 0.21 0.14 0.08 0.00 0.00 0.00 0.00 53.44 53.86 1r27 n ALA 595 Cb 0.86 -3.21 0.38 0.00 0.00 0.00 0.00 19.45 17.48 1r27 n ALA 595 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1r27 n LEU 596 N -3.90 0.00 0.06 0.00 4.77 -0.73 -1.20 117.00 116.00 1r27 n LEU 596 Ca -0.03 0.34 0.13 0.00 -0.03 0.00 0.00 56.01 56.42 1r27 n LEU 596 Cb 0.56 -0.34 0.39 0.00 -2.33 0.00 0.00 43.42 41.70 1r27 n LEU 596 CO 0.53 -0.16 0.75 -0.90 -1.33 0.00 0.00 177.39 176.28 1r27 n ASP 597 N -1.34 0.57 -0.01 -1.43 5.75 -1.24 -4.29 116.55 114.56 1r27 n ASP 597 Ca 0.07 0.39 -0.02 0.00 -0.01 0.00 0.00 54.79 55.21 1r27 n ASP 597 Cb 0.14 -0.43 -0.01 0.00 -1.03 0.00 0.00 41.12 39.79 1r27 n ASP 597 CO 0.00 0.00 0.00 0.79 -0.11 0.00 0.00 177.20 177.88 1r27 n TRP 598 N -1.98 0.00 -3.90 2.11 7.02 -0.43 -1.39 117.44 118.87 1r27 n TRP 598 Ca 0.05 0.00 -0.11 0.00 -1.02 0.00 0.00 57.50 56.42 1r27 n TRP 598 Cb 0.40 -0.08 -0.12 0.00 -2.42 0.00 0.00 31.31 29.09 1r27 n TRP 598 CO 0.00 0.00 0.00 -0.65 -2.02 0.00 0.00 177.69 175.02 1r27 s GLN 599 N -2.04 0.21 -0.03 -0.99 -0.21 -0.34 -4.85 119.66 111.40 1r27 s GLN 599 Ca -0.03 -0.22 -0.02 0.00 0.02 0.00 0.00 55.36 55.12 1r27 s GLN 599 Cb 0.01 0.08 0.02 0.00 1.00 0.00 0.00 33.01 34.12 1r27 s GLN 599 CO 0.05 -0.04 0.07 1.03 -2.12 0.00 0.00 175.29 174.28 1r27 s ARG 600 N -0.67 0.04 0.73 2.91 0.52 -1.26 -3.94 118.95 117.27 1r27 s ARG 600 Ca -0.07 0.18 0.01 0.00 -0.52 0.00 0.00 55.73 55.32 1r27 s ARG 600 Cb -0.05 -0.10 0.14 0.00 0.52 0.00 0.00 34.95 35.46 1r27 s ARG 600 CO -0.00 -0.09 1.00 -1.25 0.02 0.00 0.00 175.30 174.98 1r27 s PRO 601 N 0.62 1.61 0.48 3.54 0.04 -1.26 -4.85 135.00 135.18 1r27 s PRO 601 Ca -0.05 -1.30 0.07 0.00 0.04 0.00 0.00 61.00 59.76 1r27 s PRO 601 Cb -0.07 -2.36 0.08 0.00 0.04 0.00 0.00 34.50 32.19 1r27 s PRO 601 CO -0.02 -1.49 0.67 0.00 0.04 0.00 0.00 177.00 176.19 1r27 n ALA 602 N -2.82 0.96 -3.65 8.56 0.00 -1.26 -5.05 120.51 117.25 1r27 n ALA 602 Ca 0.17 -1.71 -0.38 0.00 0.00 0.00 0.00 53.44 51.52 1r27 n ALA 602 Cb 0.61 0.45 -0.08 0.00 0.00 0.00 0.00 19.45 20.44 1r27 n ALA 602 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1r27 s ARG 603 N -4.18 2.88 0.25 0.00 0.52 -1.26 -5.03 118.95 112.14 1r27 s ARG 603 Ca 0.50 -2.71 -0.12 0.00 -0.52 0.00 0.00 55.73 52.87 1r27 s ARG 603 Cb -0.04 -3.88 -0.08 0.00 0.52 0.00 0.00 34.95 31.47 1r27 s ARG 603 CO 0.32 -1.21 0.62 -1.01 0.02 0.00 0.00 175.30 174.04 1r27 s HIS 604 N -0.37 3.43 -0.04 -0.53 3.76 -1.26 -1.01 115.29 119.27 1r27 s HIS 604 Ca 0.20 1.02 -0.06 0.00 -0.15 0.00 0.00 55.06 56.07 1r27 s HIS 604 Cb -0.16 -2.37 0.01 0.00 1.11 0.00 0.00 32.58 31.17 1r27 s HIS 604 CO -0.06 0.22 0.16 1.41 -0.85 0.00 0.00 174.74 175.62 1r27 s MET 605 N -2.78 0.29 -0.40 1.40 0.00 -0.65 -4.66 119.30 112.50 1r27 s MET 605 Ca 0.49 0.02 -0.24 0.00 0.00 0.00 0.00 55.69 55.97 1r27 s MET 605 Cb -0.11 0.13 0.02 0.00 0.00 0.00 0.00 34.83 34.86 1r27 s MET 605 CO 0.20 -0.05 0.81 0.54 0.00 0.00 0.00 175.02 176.51 1r27 s ASN 606 N -0.39 6.52 0.39 1.11 4.22 -1.26 -1.21 114.94 124.32 1r27 s ASN 606 Ca -0.05 0.23 0.11 0.00 -2.14 0.00 0.00 52.86 51.01 1r27 s ASN 606 Cb -0.03 -2.40 0.90 0.00 1.28 0.00 0.00 41.25 41.00 1r27 s ASN 606 CO 0.01 -0.83 1.92 0.28 -2.04 0.00 0.00 177.10 176.44 1r27 h SER 607 N 8.68 0.53 -0.76 3.54 0.02 -1.92 -2.75 113.55 120.89 1r27 h SER 607 Ca -0.25 0.02 -0.01 0.00 -0.84 0.00 0.00 61.79 60.72 1r27 h SER 607 Cb 1.09 -0.09 -0.04 0.00 0.14 0.00 0.00 62.40 63.50 1r27 h SER 607 CO 0.94 0.30 0.44 0.74 -1.14 0.00 0.00 176.83 178.11 1r27 h THR 608 N 0.58 1.22 -0.21 -2.27 2.02 -1.91 0.30 112.91 112.63 1r27 h THR 608 Ca 0.37 -0.52 -0.19 0.00 0.77 0.00 0.00 66.41 66.84 1r27 h THR 608 Cb 0.63 0.19 0.00 0.00 -1.74 0.00 0.00 68.15 67.22 1r27 h THR 608 CO -0.14 0.24 -0.62 0.28 0.37 0.00 0.00 175.52 175.66 1r27 h SER 609 N 1.05 0.83 -0.21 4.18 0.02 -1.81 -1.58 113.55 116.03 1r27 h SER 609 Ca 0.27 -0.48 0.02 0.00 -0.84 0.00 0.00 61.79 60.77 1r27 h SER 609 Cb -0.00 -0.24 -0.02 0.00 0.14 0.00 0.00 62.40 62.27 1r27 h SER 609 CO -0.05 1.25 0.06 0.22 -1.14 0.00 0.00 176.83 177.17 1r27 h TYR 610 N 0.54 0.10 0.02 3.45 3.20 -1.13 -2.02 116.97 121.14 1r27 h TYR 610 Ca -0.01 0.01 -0.22 0.00 3.14 0.00 0.00 58.73 61.66 1r27 h TYR 610 Cb 1.21 -0.02 -0.01 0.00 1.54 0.00 0.00 36.73 39.46 1r27 h TYR 610 CO 0.07 0.05 -0.96 0.74 -1.64 0.00 0.00 178.16 176.42 1r27 h PHE 611 N 0.15 0.38 -0.90 -3.82 0.04 -0.97 -1.02 116.94 110.80 1r27 h PHE 611 Ca 0.09 -0.22 0.06 0.00 2.80 0.00 0.00 57.97 60.70 1r27 h PHE 611 Cb 0.07 -0.04 -0.06 0.00 2.20 0.00 0.00 35.95 38.12 1r27 h PHE 611 CO -0.13 1.06 0.56 -0.92 -0.60 0.00 0.00 178.31 178.29 1r27 h TYR 612 N 0.12 1.04 0.08 -0.55 3.20 -1.16 0.37 116.97 120.07 1r27 h TYR 612 Ca -0.06 0.03 -0.00 0.00 3.14 0.00 0.00 58.73 61.83 1r27 h TYR 612 Cb 1.61 -0.34 0.00 0.00 1.54 0.00 0.00 36.73 39.54 1r27 h TYR 612 CO 0.04 0.53 -0.04 -0.97 -1.64 0.00 0.00 178.16 176.08 1r27 h ASN 613 N 1.02 -0.09 0.30 -2.11 -1.24 -1.33 -1.86 115.58 110.27 1r27 h ASN 613 Ca 0.39 0.00 -0.05 0.00 0.71 0.00 0.00 56.30 57.35 1r27 h ASN 613 Cb 0.17 0.02 -0.01 0.00 0.73 0.00 0.00 38.32 39.23 1r27 h ASN 613 CO -0.17 0.04 -0.23 0.45 -1.29 0.00 0.00 177.43 176.22 1r27 h HIS 614 N -0.31 0.00 -0.30 0.67 3.86 -1.20 -0.65 115.15 117.22 1r27 h HIS 614 Ca -0.01 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.20 1r27 h HIS 614 Cb 0.08 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.55 1r27 h HIS 614 CO 0.05 0.23 0.00 -1.13 0.86 0.00 0.00 177.93 177.94 1r27 n SER 615 N -4.07 1.81 -2.62 2.45 3.41 0.12 -4.59 113.62 110.12 1r27 n SER 615 Ca -0.02 -1.91 -0.15 0.00 -0.26 0.00 0.00 58.87 56.53 1r27 n SER 615 Cb 0.30 -0.20 -0.00 0.00 -0.26 0.00 0.00 64.21 64.05 1r27 n SER 615 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1r27 n SER 616 N 0.46 -3.98 0.08 4.04 7.64 -0.25 -4.55 113.62 117.07 1r27 n SER 616 Ca 0.13 0.08 0.10 0.00 1.01 0.00 0.00 58.87 60.19 1r27 n SER 616 Cb 0.30 -3.35 0.43 0.00 -1.01 0.00 0.00 64.21 60.58 1r27 n SER 616 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1r27 n GLN 617 N -3.02 0.13 0.19 1.43 6.02 -0.72 -2.08 117.38 119.33 1r27 n GLN 617 Ca -0.12 0.36 0.06 0.00 -0.01 0.00 0.00 57.00 57.29 1r27 n GLN 617 Cb 0.60 -1.74 0.34 0.00 1.02 0.00 0.00 30.24 30.46 1r27 n GLN 617 CO 0.00 0.00 0.00 0.11 -1.01 0.00 0.00 177.06 176.16 1r27 h TRP 618 N 0.00 0.00 0.00 1.08 5.08 -1.82 -2.82 115.95 117.47 1r27 h TRP 618 Ca 0.00 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.97 1r27 h TRP 618 Cb 0.32 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.48 1r27 h TRP 618 CO 0.00 0.35 0.00 0.54 -1.28 0.00 0.00 178.44 178.05 1r27 n ARG 619 N -3.47 0.10 -0.10 0.12 1.74 -0.88 -2.12 116.66 112.04 1r27 n ARG 619 Ca 0.00 0.46 0.06 0.00 -0.77 0.00 0.00 57.85 57.60 1r27 n ARG 619 Cb 0.51 -1.74 0.11 0.00 -1.02 0.00 0.00 32.46 30.32 1r27 n ARG 619 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77 1r27 n TYR 620 N -1.93 0.15 -1.75 -1.55 4.01 -1.06 -1.00 117.16 114.04 1r27 n TYR 620 Ca 0.01 -0.77 -0.42 0.00 -0.16 0.00 0.00 57.90 56.57 1r27 n TYR 620 Cb 0.11 -0.12 -0.02 0.00 -0.31 0.00 0.00 39.34 39.00 1r27 n TYR 620 CO 0.00 0.00 0.00 -2.00 -0.46 0.00 0.00 176.86 174.40 1r27 s GLU 621 N -2.04 4.12 -0.00 -0.72 2.56 -0.90 -4.92 118.70 116.80 1r27 s GLU 621 Ca 0.21 2.60 0.09 0.00 0.00 0.00 0.00 54.97 57.86 1r27 s GLU 621 Cb 0.17 -3.05 -0.10 0.00 2.00 0.00 0.00 34.13 33.15 1r27 s GLU 621 CO 0.04 -0.71 0.35 0.25 -0.56 0.00 0.00 175.26 174.63 1r27 n THR 622 N 3.31 0.00 -3.77 -1.70 -2.24 -1.26 -4.99 114.28 103.64 1r27 n THR 622 Ca 0.13 -0.29 -0.37 0.00 -2.27 0.00 0.00 64.05 61.25 1r27 n THR 622 Cb 0.36 0.94 -0.07 0.00 -2.10 0.00 0.00 70.33 69.47 1r27 n THR 622 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 1r27 s VAL 623 N -1.88 5.41 0.12 2.28 1.01 -1.26 -4.99 120.40 121.09 1r27 s VAL 623 Ca 0.03 0.32 0.06 0.00 0.00 0.00 0.00 61.98 62.38 1r27 s VAL 623 Cb 0.06 -3.48 -0.04 0.00 0.00 0.00 0.00 36.38 32.93 1r27 s VAL 623 CO 0.36 0.55 0.00 0.42 0.00 0.00 0.00 175.10 176.43 1r27 s THR 624 N -0.59 3.91 0.27 3.92 -4.23 -1.26 -4.70 115.64 112.96 1r27 s THR 624 Ca 0.15 -1.15 0.01 0.00 -1.18 0.00 0.00 61.69 59.52 1r27 s THR 624 Cb -0.12 -2.90 0.06 0.00 1.34 0.00 0.00 72.50 70.87 1r27 s THR 624 CO 0.04 0.03 1.70 0.00 -0.54 0.00 0.00 174.62 175.85 1r27 h ALA 625 N 3.15 1.05 -0.80 3.99 0.00 -1.91 -3.03 119.26 121.71 1r27 h ALA 625 Ca -0.48 -0.35 0.09 0.00 0.00 0.00 0.00 54.91 54.18 1r27 h ALA 625 Cb 1.18 -0.13 -0.07 0.00 0.00 0.00 0.00 17.79 18.77 1r27 h ALA 625 CO 0.59 0.57 0.45 1.49 0.00 0.00 0.00 179.25 182.35 1r27 h GLU 626 N 0.48 0.73 0.00 0.00 4.81 -1.90 0.19 114.58 118.88 1r27 h GLU 626 Ca 0.07 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.26 1r27 h GLU 626 Cb 0.68 -0.16 0.00 0.00 0.63 0.00 0.00 28.75 29.90 1r27 h GLU 626 CO 0.05 0.48 0.00 -0.85 -0.73 0.00 0.00 179.01 177.96 1r27 n GLU 627 N -4.77 0.19 -0.00 1.92 0.28 -1.14 -2.39 120.64 114.71 1r27 n GLU 627 Ca 0.13 0.13 0.08 0.00 -0.16 0.00 0.00 57.16 57.35 1r27 n GLU 627 Cb 0.28 -1.50 -0.12 0.00 1.43 0.00 0.00 31.44 31.53 1r27 n GLU 627 CO 0.00 0.00 0.00 1.28 -0.16 0.00 0.00 177.13 178.25 1r27 n LEU 628 N -1.35 0.34 -4.67 -1.84 4.77 -0.02 -5.01 117.00 109.22 1r27 n LEU 628 Ca 0.07 -0.21 -0.32 0.00 -0.03 0.00 0.00 56.01 55.53 1r27 n LEU 628 Cb 0.16 0.00 0.16 0.00 -2.33 0.00 0.00 43.42 41.41 1r27 n LEU 628 CO 0.15 0.08 0.67 0.18 -1.33 0.00 0.00 177.39 177.14 1r27 n LEU 629 N -1.81 3.44 -4.79 2.23 4.77 -0.76 -4.63 117.00 115.45 1r27 n LEU 629 Ca -0.01 0.45 -0.37 0.00 -0.03 0.00 0.00 56.01 56.05 1r27 n LEU 629 Cb 0.38 -1.48 -0.06 0.00 -2.33 0.00 0.00 43.42 39.93 1r27 n LEU 629 CO 0.36 -2.12 0.56 -0.55 -1.33 0.00 0.00 177.39 174.31 1r27 s SER 630 N -2.52 7.27 0.58 -1.43 0.15 0.30 -4.80 113.70 113.25 1r27 s SER 630 Ca 0.68 1.68 0.29 0.00 0.70 0.00 0.00 55.95 59.30 1r27 s SER 630 Cb -0.24 -2.52 1.47 0.00 -1.71 0.00 0.00 66.02 63.02 1r27 s SER 630 CO 0.57 0.01 1.90 -0.65 1.20 0.00 0.00 173.24 176.27 1r27 h PRO 631 N 3.43 0.00 -0.42 5.44 0.11 -1.89 0.56 132.00 139.23 1r27 h PRO 631 Ca -0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 1r27 h PRO 631 Cb 1.19 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.30 1r27 h PRO 631 CO 0.65 0.00 0.00 -1.33 -0.21 0.00 0.00 178.00 177.11 1r27 n MET 632 N -3.84 2.13 -2.21 1.05 2.81 -1.26 -4.94 117.12 110.87 1r27 n MET 632 Ca 0.10 -1.74 -0.27 0.00 -1.81 0.00 0.00 57.70 53.97 1r27 n MET 632 Cb 0.70 -1.41 0.05 0.00 -0.71 0.00 0.00 33.22 31.85 1r27 n MET 632 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1r27 s ALA 633 N -1.45 3.14 -0.81 3.04 0.00 0.19 -5.02 121.76 120.86 1r27 s ALA 633 Ca 0.34 -0.75 -0.13 0.00 0.00 0.00 0.00 51.96 51.42 1r27 s ALA 633 Cb 0.18 -2.68 0.21 0.00 0.00 0.00 0.00 23.12 20.84 1r27 s ALA 633 CO 0.25 -1.13 0.74 0.34 0.00 0.00 0.00 175.76 175.96 1r27 s ASP 634 N -4.43 6.64 0.51 0.00 2.15 -1.26 -4.93 116.67 115.35 1r27 s ASP 634 Ca 0.58 -2.68 0.45 0.00 0.43 0.00 0.00 52.55 51.33 1r27 s ASP 634 Cb -0.11 -2.18 1.62 0.00 -0.30 0.00 0.00 42.92 41.95 1r27 s ASP 634 CO 0.46 -0.57 1.49 0.29 -0.17 0.00 0.00 175.17 176.68 1r27 n LYS 635 N 3.97 -0.01 0.26 4.34 5.02 -1.26 0.17 118.16 130.66 1r27 n LYS 635 Ca 0.13 1.07 0.14 0.00 -2.02 0.00 0.00 58.31 57.63 1r27 n LYS 635 Cb 0.46 -2.39 0.65 0.00 -0.02 0.00 0.00 35.03 33.73 1r27 n LYS 635 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 1r27 h SER 636 N 0.00 0.00 0.24 4.39 4.64 -2.02 -2.60 113.55 118.20 1r27 h SER 636 Ca 0.89 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 62.21 1r27 h SER 636 Cb 3.45 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 65.54 1r27 h SER 636 CO -0.10 0.10 -0.14 0.54 -0.87 0.00 0.00 176.83 176.36 1r27 n ARG 637 N -3.29 0.90 -2.86 4.77 5.12 0.13 -4.27 116.66 117.16 1r27 n ARG 637 Ca -0.00 -0.42 -0.19 0.00 -1.93 0.00 0.00 57.85 55.31 1r27 n ARG 637 Cb 0.32 -1.49 -0.01 0.00 -1.16 0.00 0.00 32.46 30.12 1r27 n ARG 637 CO 0.00 0.00 0.00 0.66 -1.93 0.00 0.00 177.63 176.36 1r27 n TYR 638 N -0.68 1.85 -3.40 -1.55 4.01 -0.98 -5.09 117.16 111.32 1r27 n TYR 638 Ca 0.15 -3.44 -0.25 0.00 -0.16 0.00 0.00 57.90 54.19 1r27 n TYR 638 Cb 0.30 -0.36 -0.02 0.00 -0.31 0.00 0.00 39.34 38.95 1r27 n TYR 638 CO 0.00 0.00 0.00 0.95 -0.46 0.00 0.00 176.86 177.35 1r27 s THR 639 N -3.61 5.10 0.00 -0.72 -4.23 -1.25 -4.61 115.64 106.31 1r27 s THR 639 Ca 0.40 -0.35 0.00 0.00 -1.18 0.00 0.00 61.69 60.56 1r27 s THR 639 Cb 0.38 -3.82 0.00 0.00 1.34 0.00 0.00 72.50 70.39 1r27 s THR 639 CO -0.08 -0.48 0.00 0.61 -0.54 0.00 0.00 174.62 174.13 1r27 n GLY 640 N -1.51 2.49 3.80 3.99 0.00 -1.26 -4.94 105.19 107.76 1r27 n GLY 640 Ca -0.04 -2.05 -0.33 0.00 0.00 0.00 0.00 46.02 43.60 1r27 n GLY 640 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1r27 s HIS 641 N -2.40 2.94 0.41 1.61 5.65 -1.26 -4.60 115.29 117.65 1r27 s HIS 641 Ca 0.00 1.53 0.18 0.00 0.25 0.00 0.00 55.06 57.02 1r27 s HIS 641 Cb 0.00 -3.05 1.09 0.00 -1.18 0.00 0.00 32.58 29.44 1r27 s HIS 641 CO 0.00 -1.14 1.83 -0.07 -0.65 0.00 0.00 174.74 174.72 1r27 h LEU 642 N 0.66 0.42 -1.71 8.88 3.38 -1.97 0.41 115.31 125.38 1r27 h LEU 642 Ca -0.48 0.05 -0.03 0.00 0.09 0.00 0.00 57.88 57.51 1r27 h LEU 642 Cb 1.22 -0.02 -0.00 0.00 0.09 0.00 0.00 40.66 41.95 1r27 h LEU 642 CO 0.57 0.15 -0.15 -0.29 0.09 0.00 0.00 178.44 178.81 1r27 h ILE 643 N 0.41 0.57 -0.62 1.22 2.10 -1.96 -2.58 117.51 116.64 1r27 h ILE 643 Ca 0.50 -0.69 -0.07 0.00 1.08 0.00 0.00 64.86 65.68 1r27 h ILE 643 Cb 1.27 1.45 -0.03 0.00 -1.09 0.00 0.00 36.82 38.43 1r27 h ILE 643 CO -0.20 0.15 0.12 0.44 -1.08 0.00 0.00 178.15 177.58 1r27 h ASP 644 N 0.00 0.94 -0.33 2.19 3.32 -0.52 -1.58 116.42 120.44 1r27 h ASP 644 Ca -0.00 -0.20 -0.03 0.00 0.02 0.00 0.00 57.03 56.82 1r27 h ASP 644 Cb 0.44 -0.25 -0.02 0.00 0.22 0.00 0.00 39.33 39.72 1r27 h ASP 644 CO 0.02 0.93 0.12 -0.26 -1.72 0.00 0.00 179.24 178.33 1r27 h PHE 645 N 0.94 0.57 -0.19 4.55 0.04 -1.46 0.24 116.94 121.63 1r27 h PHE 645 Ca 0.20 -0.03 -0.16 0.00 2.80 0.00 0.00 57.97 60.78 1r27 h PHE 645 Cb 0.38 -0.18 0.00 0.00 2.20 0.00 0.00 35.95 38.36 1r27 h PHE 645 CO 0.03 0.47 -0.50 -0.97 -0.60 0.00 0.00 178.31 176.74 1r27 h ASN 646 N 0.56 0.77 -0.14 2.17 -0.73 -1.42 -1.16 115.58 115.63 1r27 h ASN 646 Ca 0.13 -0.58 -0.06 0.00 1.87 0.00 0.00 56.30 57.67 1r27 h ASN 646 Cb 0.17 -0.22 -0.02 0.00 0.27 0.00 0.00 38.32 38.52 1r27 h ASN 646 CO -0.01 1.21 -0.09 0.58 -0.37 0.00 0.00 177.43 178.75 1r27 h VAL 647 N 0.37 1.22 -0.30 2.57 2.07 -0.88 -1.00 116.25 120.29 1r27 h VAL 647 Ca -0.01 -0.93 -0.14 0.00 0.82 0.00 0.00 66.70 66.44 1r27 h VAL 647 Cb 1.12 1.10 -0.00 0.00 -1.52 0.00 0.00 31.29 31.98 1r27 h VAL 647 CO 0.11 0.31 -0.35 0.03 0.02 0.00 0.00 177.57 177.68 1r27 h ARG 648 N 0.44 0.77 -0.67 1.57 3.08 -0.84 -2.38 114.38 116.35 1r27 h ARG 648 Ca 0.09 -0.43 -0.04 0.00 0.07 0.00 0.00 59.98 59.66 1r27 h ARG 648 Cb 0.44 0.03 -0.03 0.00 0.08 0.00 0.00 29.97 30.48 1r27 h ARG 648 CO 0.02 1.06 0.24 0.00 -1.07 0.00 0.00 179.97 180.22 1r27 h ALA 649 N 0.71 1.16 -0.25 0.04 0.00 -0.83 -1.72 119.26 118.36 1r27 h ALA 649 Ca 0.04 -0.19 -0.03 0.00 0.00 0.00 0.00 54.91 54.73 1r27 h ALA 649 Cb 0.94 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.45 1r27 h ALA 649 CO 0.09 0.60 0.02 0.93 0.00 0.00 0.00 179.25 180.88 1r27 h GLU 650 N 0.98 0.43 -0.26 0.00 5.08 -1.12 0.17 114.58 119.86 1r27 h GLU 650 Ca 0.22 -0.12 -0.02 0.00 -1.00 0.00 0.00 59.36 58.44 1r27 h GLU 650 Cb 0.23 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.42 1r27 h GLU 650 CO -0.01 0.58 0.08 0.00 -1.00 0.00 0.00 179.01 178.65 1r27 h ARG 651 N 0.22 0.37 -0.02 2.33 3.08 -1.19 -1.88 114.38 117.28 1r27 h ARG 651 Ca 0.07 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 60.08 1r27 h ARG 651 Cb 0.37 -0.07 0.00 0.00 0.08 0.00 0.00 29.97 30.35 1r27 h ARG 651 CO 0.01 0.33 0.00 -1.33 -1.07 0.00 0.00 179.97 177.91 1r27 n MET 652 N -4.40 1.40 -0.94 0.04 2.81 -0.67 -4.16 117.12 111.20 1r27 n MET 652 Ca 0.01 -0.58 0.00 0.00 -1.81 0.00 0.00 57.70 55.32 1r27 n MET 652 Cb 0.15 -1.46 0.00 0.00 -0.71 0.00 0.00 33.22 31.19 1r27 n MET 652 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1r27 n GLY 653 N 1.08 0.48 0.16 3.03 0.00 -0.71 -3.06 105.19 106.17 1r27 n GLY 653 Ca 0.20 -0.49 -0.21 0.00 0.00 0.00 0.00 46.02 45.52 1r27 n GLY 653 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 173.32 174.81 1r27 h TRP 654 N 0.00 0.86 -2.90 1.61 4.06 -0.88 0.22 115.95 118.91 1r27 h TRP 654 Ca 0.00 -0.53 -0.44 0.00 2.06 0.00 0.00 58.89 59.98 1r27 h TRP 654 Cb 0.00 -0.07 -0.14 0.00 -1.00 0.00 0.00 29.16 27.94 1r27 h TRP 654 CO 0.00 1.38 -0.71 -0.51 -3.56 0.00 0.00 178.44 175.03 1r27 s LEU 655 N -8.00 2.51 0.82 -4.49 1.43 -1.20 -4.08 118.68 105.67 1r27 s LEU 655 Ca -0.11 -1.07 -0.12 0.00 -1.03 0.00 0.00 54.13 51.80 1r27 s LEU 655 Cb 0.04 -0.61 0.09 0.00 0.03 0.00 0.00 46.19 45.75 1r27 s LEU 655 CO 0.89 -0.24 1.19 -2.16 0.23 0.00 0.00 176.35 176.26 1r27 s PRO 656 N -3.69 1.83 0.08 1.29 0.04 -1.26 -4.44 135.00 128.86 1r27 s PRO 656 Ca 0.24 0.04 0.04 0.00 0.04 0.00 0.00 61.00 61.36 1r27 s PRO 656 Cb 0.01 -1.95 -0.03 0.00 0.04 0.00 0.00 34.50 32.57 1r27 s PRO 656 CO 0.07 -1.67 -0.11 -1.12 0.04 0.00 0.00 177.00 174.21 1r27 s SER 657 N -4.61 1.43 -0.30 6.66 0.01 -1.26 -4.80 113.70 110.84 1r27 s SER 657 Ca 0.63 -0.71 -0.13 0.00 1.31 0.00 0.00 55.95 57.06 1r27 s SER 657 Cb -0.10 -0.01 0.18 0.00 0.21 0.00 0.00 66.02 66.30 1r27 s SER 657 CO 0.49 -0.19 1.00 0.00 0.41 0.00 0.00 173.24 174.95 1r27 s ALA 658 N -1.89 -3.09 0.88 1.44 0.00 -1.26 -4.13 121.76 113.71 1r27 s ALA 658 Ca 0.01 1.68 -0.11 0.00 0.00 0.00 0.00 51.96 53.54 1r27 s ALA 658 Cb -0.06 -2.32 0.13 0.00 0.00 0.00 0.00 23.12 20.86 1r27 s ALA 658 CO 0.01 -1.27 1.15 -2.14 0.00 0.00 0.00 175.76 173.51 1r27 s PRO 659 N 2.75 1.26 -0.05 0.00 0.02 -1.26 -4.93 135.00 132.79 1r27 s PRO 659 Ca 0.01 1.54 -0.01 0.00 0.02 0.00 0.00 61.00 62.56 1r27 s PRO 659 Cb -0.09 -1.76 -0.00 0.00 0.02 0.00 0.00 34.50 32.67 1r27 s PRO 659 CO -0.14 -2.45 -0.02 1.96 -0.33 0.00 0.00 177.00 176.02 1r27 h GLN 660 N -1.63 0.00 -6.22 5.54 4.20 -1.87 -3.41 115.11 111.72 1r27 h GLN 660 Ca -0.44 0.00 -0.54 0.00 0.06 0.00 0.00 58.65 57.73 1r27 h GLN 660 Cb 1.27 0.00 -0.07 0.00 0.30 0.00 0.00 27.48 28.98 1r27 h GLN 660 CO 0.43 0.00 -0.58 -0.51 -0.67 0.00 0.00 178.83 177.50 1r27 s LEU 661 N -6.11 3.58 0.00 1.46 1.43 -1.26 -1.20 118.68 116.58 1r27 s LEU 661 Ca -0.01 -0.35 0.00 0.00 -1.03 0.00 0.00 54.13 52.73 1r27 s LEU 661 Cb 0.00 -2.14 0.00 0.00 0.03 0.00 0.00 46.19 44.08 1r27 s LEU 661 CO 0.02 0.01 0.74 0.61 0.23 0.00 0.00 176.35 177.96 1r27 n GLY 662 N -0.81 -0.41 3.09 -3.19 0.00 0.18 -4.30 105.19 99.75 1r27 n GLY 662 Ca -0.08 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.81 1r27 n GLY 662 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1r27 s THR 663 N -1.80 0.61 -0.17 2.61 -1.32 -1.26 -4.95 115.64 109.36 1r27 s THR 663 Ca 0.00 -1.25 -0.29 0.00 -1.21 0.00 0.00 61.69 58.94 1r27 s THR 663 Cb 0.00 -0.83 -0.06 0.00 -1.51 0.00 0.00 72.50 70.10 1r27 s THR 663 CO 0.00 -0.46 2.10 0.21 -2.21 0.00 0.00 174.62 174.26 1r27 s ASN 664 N -1.86 5.76 0.60 8.08 3.04 -1.26 -4.84 114.94 124.47 1r27 s ASN 664 Ca -0.05 2.02 0.29 0.00 0.04 0.00 0.00 52.86 55.15 1r27 s ASN 664 Cb -0.07 -2.52 1.50 0.00 -1.54 0.00 0.00 41.25 38.62 1r27 s ASN 664 CO -0.00 -1.69 1.91 -0.65 -3.04 0.00 0.00 177.10 173.62 1r27 h PRO 665 N 13.64 0.00 0.00 0.43 0.11 -1.88 -0.87 132.00 143.43 1r27 h PRO 665 Ca -0.42 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.69 1r27 h PRO 665 Cb 1.23 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.34 1r27 h PRO 665 CO 0.96 0.00 0.00 1.28 -0.21 0.00 0.00 178.00 180.03 1r27 n LEU 666 N -3.57 0.01 -0.01 2.35 4.77 -1.26 -2.80 117.00 116.49 1r27 n LEU 666 Ca 0.06 0.50 0.11 0.00 -0.03 0.00 0.00 56.01 56.65 1r27 n LEU 666 Cb 0.60 -0.50 -0.16 0.00 -2.33 0.00 0.00 43.42 41.03 1r27 n LEU 666 CO 0.25 -0.02 -0.60 0.35 -1.33 0.00 0.00 177.39 176.04 1r27 n THR 667 N -1.51 0.01 -0.07 -5.08 -2.24 -0.33 -4.58 114.28 100.48 1r27 n THR 667 Ca 0.07 -0.40 -0.07 0.00 -2.27 0.00 0.00 64.05 61.37 1r27 n THR 667 Cb 0.33 0.20 -0.01 0.00 -2.10 0.00 0.00 70.33 68.75 1r27 n THR 667 CO 0.00 0.00 0.00 0.40 -0.57 0.00 0.00 175.07 174.90 1r27 h ILE 668 N 0.00 0.87 -0.85 2.28 2.04 -1.64 -2.70 117.51 117.52 1r27 h ILE 668 Ca 0.00 -0.05 0.13 0.00 1.00 0.00 0.00 64.86 65.93 1r27 h ILE 668 Cb 0.90 0.70 -0.09 0.00 -0.74 0.00 0.00 36.82 37.59 1r27 h ILE 668 CO 0.00 0.03 0.46 0.00 0.00 0.00 0.00 178.15 178.64 1r27 h ALA 669 N 1.20 1.26 -0.79 1.87 0.00 -1.81 0.11 119.26 121.10 1r27 h ALA 669 Ca 0.13 0.06 -0.03 0.00 0.00 0.00 0.00 54.91 55.07 1r27 h ALA 669 Cb 0.13 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 17.82 1r27 h ALA 669 CO -0.17 -0.01 0.36 0.78 0.00 0.00 0.00 179.25 180.21 1r27 h GLY 670 N 0.70 1.22 1.15 0.00 0.00 -1.77 -0.65 103.07 103.72 1r27 h GLY 670 Ca 0.44 -0.61 -0.17 0.00 0.00 0.00 0.00 47.33 46.98 1r27 h GLY 670 CO -0.32 0.58 -0.46 0.83 0.00 0.00 0.00 176.54 177.17 1r27 h GLU 671 N 1.12 0.91 -0.33 4.80 5.08 -1.00 -1.84 114.58 123.32 1r27 h GLU 671 Ca 0.27 -0.52 0.00 0.00 -1.00 0.00 0.00 59.36 58.11 1r27 h GLU 671 Cb 0.14 0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.41 1r27 h GLU 671 CO -0.03 1.17 0.21 0.00 -1.00 0.00 0.00 179.01 179.36 1r27 h ALA 672 N 0.74 0.42 -0.97 3.43 0.00 -0.48 0.69 119.26 123.09 1r27 h ALA 672 Ca 0.04 -0.03 0.02 0.00 0.00 0.00 0.00 54.91 54.93 1r27 h ALA 672 Cb 1.07 -0.14 -0.05 0.00 0.00 0.00 0.00 17.79 18.67 1r27 h ALA 672 CO 0.11 -0.10 0.64 1.49 0.00 0.00 0.00 179.25 181.39 1r27 h GLU 673 N 0.44 1.26 -0.42 0.00 4.81 -1.07 0.55 114.58 120.16 1r27 h GLU 673 Ca 0.12 -0.08 -0.06 0.00 -0.13 0.00 0.00 59.36 59.22 1r27 h GLU 673 Cb -0.03 -0.28 -0.02 0.00 0.63 0.00 0.00 28.75 29.05 1r27 h GLU 673 CO -0.02 0.83 0.03 -0.22 -0.73 0.00 0.00 179.01 178.90 1r27 h LYS 674 N 1.30 0.67 -0.13 1.92 3.64 -0.48 -1.01 116.57 122.48 1r27 h LYS 674 Ca 0.36 -0.15 0.00 0.00 -1.27 0.00 0.00 60.65 59.59 1r27 h LYS 674 Cb -0.12 -0.09 0.00 0.00 -0.41 0.00 0.00 32.23 31.61 1r27 h LYS 674 CO -0.09 0.67 0.00 0.00 -2.27 0.00 0.00 179.45 177.76 1r27 n ALA 675 N -2.47 2.54 -3.24 5.00 0.00 0.16 -4.92 120.51 117.56 1r27 n ALA 675 Ca 0.02 -0.40 -0.16 0.00 0.00 0.00 0.00 53.44 52.90 1r27 n ALA 675 Cb 0.26 -1.13 0.07 0.00 0.00 0.00 0.00 19.45 18.65 1r27 n ALA 675 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1r27 n GLY 676 N 1.01 -0.24 3.21 0.00 0.00 -0.38 -5.03 105.19 103.76 1r27 n GLY 676 Ca 0.15 0.03 -0.10 0.00 0.00 0.00 0.00 46.02 46.09 1r27 n GLY 676 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1r27 s MET 677 N -5.39 1.03 0.36 1.61 -1.94 0.05 -5.01 119.30 110.00 1r27 s MET 677 Ca 0.14 -1.39 -0.13 0.00 -1.71 0.00 0.00 55.69 52.59 1r27 s MET 677 Cb -0.06 0.28 -0.08 0.00 2.01 0.00 0.00 34.83 36.99 1r27 s MET 677 CO 0.60 -0.32 0.74 0.54 -0.01 0.00 0.00 175.02 176.57 1r27 s ASN 678 N -3.04 6.65 0.21 3.03 2.20 -1.26 -3.67 114.94 119.06 1r27 s ASN 678 Ca 0.24 1.20 -0.17 0.00 -0.94 0.00 0.00 52.86 53.19 1r27 s ASN 678 Cb 0.06 -2.35 0.22 0.00 -2.00 0.00 0.00 41.25 37.19 1r27 s ASN 678 CO 0.03 -0.29 1.58 -0.65 -2.94 0.00 0.00 177.10 174.83 1r27 h PRO 679 N 1.81 -0.07 0.10 3.55 0.11 -1.91 -1.04 132.00 134.54 1r27 h PRO 679 Ca -0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 1r27 h PRO 679 Cb 1.18 0.02 -0.01 0.00 0.11 0.00 0.00 31.00 32.30 1r27 h PRO 679 CO 0.65 -0.05 -0.08 0.28 -0.21 0.00 0.00 178.00 178.59 1r27 h VAL 680 N -0.07 0.83 -0.34 3.15 2.07 -1.94 -0.50 116.25 119.44 1r27 h VAL 680 Ca 0.31 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.83 1r27 h VAL 680 Cb 0.57 0.83 -0.02 0.00 -1.52 0.00 0.00 31.29 31.15 1r27 h VAL 680 CO -0.79 0.00 0.22 0.44 0.02 0.00 0.00 177.57 177.46 1r27 h ASP 681 N -0.18 0.37 -0.75 0.57 3.32 -1.88 -0.82 116.42 117.05 1r27 h ASP 681 Ca -0.00 -0.01 0.08 0.00 0.02 0.00 0.00 57.03 57.12 1r27 h ASP 681 Cb 0.17 -0.09 -0.07 0.00 0.22 0.00 0.00 39.33 39.56 1r27 h ASP 681 CO -0.01 0.27 0.42 0.22 -1.72 0.00 0.00 179.24 178.42 1r27 h TYR 682 N 0.45 0.76 -0.40 4.55 3.20 -1.02 -0.51 116.97 124.00 1r27 h TYR 682 Ca 0.12 0.03 -0.07 0.00 3.14 0.00 0.00 58.73 61.95 1r27 h TYR 682 Cb -0.04 -0.23 -0.01 0.00 1.54 0.00 0.00 36.73 37.98 1r27 h TYR 682 CO -0.06 0.33 -0.02 1.15 -1.64 0.00 0.00 178.16 177.92 1r27 h THR 683 N 0.73 1.26 -0.81 1.81 2.02 -0.55 0.00 112.91 117.38 1r27 h THR 683 Ca 0.35 -1.06 -0.04 0.00 0.77 0.00 0.00 66.41 66.43 1r27 h THR 683 Cb 0.29 1.15 -0.04 0.00 -1.74 0.00 0.00 68.15 67.82 1r27 h THR 683 CO -0.23 0.36 0.33 0.58 0.37 0.00 0.00 175.52 176.93 1r27 h VAL 684 N 0.55 1.26 0.01 3.16 2.07 -0.75 -0.08 116.25 122.47 1r27 h VAL 684 Ca 0.11 -0.82 -0.00 0.00 0.82 0.00 0.00 66.70 66.81 1r27 h VAL 684 Cb 0.51 0.29 0.00 0.00 -1.52 0.00 0.00 31.29 30.57 1r27 h VAL 684 CO 0.03 0.34 -0.01 0.50 0.02 0.00 0.00 177.57 178.45 1r27 h LYS 685 N 1.17 -0.01 -0.34 1.57 3.64 -0.95 -2.28 116.57 119.36 1r27 h LYS 685 Ca 0.27 0.00 0.03 0.00 -1.27 0.00 0.00 60.65 59.68 1r27 h LYS 685 Cb 0.21 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.01 1r27 h LYS 685 CO -0.02 0.27 0.23 0.77 -2.27 0.00 0.00 179.45 178.43 1r27 h SER 686 N -0.30 0.29 -0.09 4.20 0.02 -0.72 -2.14 113.55 114.81 1r27 h SER 686 Ca -0.00 -0.00 -0.19 0.00 -0.84 0.00 0.00 61.79 60.75 1r27 h SER 686 Cb 0.29 -0.07 0.01 0.00 0.14 0.00 0.00 62.40 62.78 1r27 h SER 686 CO 0.00 0.20 -0.70 -0.07 -1.14 0.00 0.00 176.83 175.12 1r27 h LEU 687 N 0.33 0.78 -1.19 5.07 3.38 -0.89 -0.18 115.31 122.61 1r27 h LEU 687 Ca 0.14 -0.67 -0.05 0.00 0.09 0.00 0.00 57.88 57.39 1r27 h LEU 687 Cb 0.15 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.65 1r27 h LEU 687 CO -0.03 1.33 0.00 0.11 0.09 0.00 0.00 178.44 179.94 1r27 h LYS 688 N 0.29 0.56 0.00 1.13 1.57 -0.94 -2.86 116.57 116.31 1r27 h LYS 688 Ca -0.06 -0.12 0.00 0.00 -1.87 0.00 0.00 60.65 58.60 1r27 h LYS 688 Cb 1.35 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 33.58 1r27 h LYS 688 CO 0.14 0.58 -0.73 1.05 -0.57 0.00 0.00 179.45 179.92 1r27 h GLU 689 N 0.53 0.00 0.00 3.15 4.11 -1.44 -3.48 114.58 117.46 1r27 h GLU 689 Ca 0.11 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.54 1r27 h GLU 689 Cb 0.34 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.59 1r27 h GLU 689 CO 0.01 0.00 0.00 0.41 0.07 0.00 0.00 179.01 179.50 1r27 n GLY 690 N 1.21 0.72 0.25 1.06 0.00 -0.62 -4.93 105.19 102.88 1r27 n GLY 690 Ca 0.02 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.17 1r27 n GLY 690 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1r27 h SER 691 N 0.00 0.00 -3.46 1.61 4.64 -1.36 -3.40 113.55 111.58 1r27 h SER 691 Ca 0.00 0.00 -0.49 0.00 -0.47 0.00 0.00 61.79 60.83 1r27 h SER 691 Cb 0.00 0.00 -0.33 0.00 -0.31 0.00 0.00 62.40 61.76 1r27 h SER 691 CO 0.00 0.11 -0.80 -0.63 -0.87 0.00 0.00 176.83 174.63 1r27 s ILE 692 N -3.70 0.98 0.19 0.95 1.01 -0.57 -5.00 121.20 115.06 1r27 s ILE 692 Ca 0.01 -0.40 0.08 0.00 0.00 0.00 0.00 60.65 60.34 1r27 s ILE 692 Cb 0.10 -0.91 -0.04 0.00 0.01 0.00 0.00 42.46 41.61 1r27 s ILE 692 CO 0.59 0.32 -0.17 -0.13 0.00 0.00 0.00 174.94 175.55 1r27 s ARG 693 N 0.68 1.31 0.14 2.79 0.52 -1.26 -4.07 118.95 119.05 1r27 s ARG 693 Ca -0.13 -1.49 -0.31 0.00 -0.52 0.00 0.00 55.73 53.28 1r27 s ARG 693 Cb -0.15 -1.26 -0.08 0.00 0.52 0.00 0.00 34.95 33.99 1r27 s ARG 693 CO 0.03 0.24 1.30 -0.06 0.02 0.00 0.00 175.30 176.82 1r27 s PHE 694 N -2.45 3.32 0.52 -0.53 0.08 -1.26 0.50 117.98 118.15 1r27 s PHE 694 Ca 0.19 1.17 0.25 0.00 0.12 0.00 0.00 56.93 58.67 1r27 s PHE 694 Cb -0.04 -3.57 1.37 0.00 -0.57 0.00 0.00 43.02 40.22 1r27 s PHE 694 CO 0.07 -1.83 1.97 0.00 -0.10 0.00 0.00 175.22 175.33 1r27 h ALA 695 N 6.15 2.52 -0.01 5.36 0.00 -1.34 -1.29 119.26 130.65 1r27 h ALA 695 Ca -0.43 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.46 1r27 h ALA 695 Cb 1.21 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 19.04 1r27 h ALA 695 CO 0.81 -0.69 0.06 0.00 0.00 0.00 0.00 179.25 179.42 1r27 h ALA 696 N 1.69 1.12 -0.11 0.00 0.00 -1.79 -2.07 119.26 118.11 1r27 h ALA 696 Ca 0.29 -0.00 -0.20 0.00 0.00 0.00 0.00 54.91 55.01 1r27 h ALA 696 Cb 1.11 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.91 1r27 h ALA 696 CO -0.02 -0.06 -0.74 0.93 0.00 0.00 0.00 179.25 179.36 1r27 h GLU 697 N 0.00 0.57 -2.36 0.00 5.08 -1.50 -3.38 114.58 112.99 1r27 h GLU 697 Ca 0.00 -0.46 -0.59 0.00 -1.00 0.00 0.00 59.36 57.31 1r27 h GLU 697 Cb 0.12 0.09 -0.41 0.00 0.50 0.00 0.00 28.75 29.06 1r27 h GLU 697 CO -0.00 1.09 -0.78 1.04 -1.00 0.00 0.00 179.01 179.36 1r27 n GLN 698 N -3.88 1.56 0.22 2.33 6.02 -0.78 -2.03 117.38 120.83 1r27 n GLN 698 Ca -0.06 -4.04 0.16 0.00 -0.01 0.00 0.00 57.00 53.05 1r27 n GLN 698 Cb 0.72 -1.91 0.68 0.00 1.02 0.00 0.00 30.24 30.75 1r27 n GLN 698 CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 177.06 175.05 1r27 h PRO 699 N 4.61 0.00 -0.15 -1.09 0.13 -1.73 -3.24 132.00 130.54 1r27 h PRO 699 Ca 0.17 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.28 1r27 h PRO 699 Cb 0.77 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.90 1r27 h PRO 699 CO 0.65 0.00 -0.02 0.39 -0.23 0.00 0.00 178.00 178.78 1r27 n GLU 700 N -2.72 2.11 -0.00 0.86 1.02 -1.26 -4.32 120.64 116.33 1r27 n GLU 700 Ca 0.00 -2.78 0.11 0.00 -0.02 0.00 0.00 57.16 54.48 1r27 n GLU 700 Cb 0.22 -1.69 0.68 0.00 -0.02 0.00 0.00 31.44 30.63 1r27 n GLU 700 CO 0.00 0.00 0.00 0.27 1.18 0.00 0.00 177.13 178.58 1r27 n ASN 701 N -0.97 0.02 0.00 1.62 6.94 -1.22 -4.85 115.26 116.80 1r27 n ASN 701 Ca 0.20 -1.29 0.00 0.00 -0.02 0.00 0.00 54.58 53.47 1r27 n ASN 701 Cb 0.79 -0.00 0.00 0.00 -2.36 0.00 0.00 39.78 38.21 1r27 n ASN 701 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1r27 n GLY 702 N 0.86 1.14 0.00 4.83 0.00 -1.26 -4.84 105.19 105.92 1r27 n GLY 702 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.19 1r27 n GLY 702 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1r27 n LYS 703 N -2.00 2.74 -1.20 1.61 5.02 -1.26 -4.82 118.16 118.25 1r27 n LYS 703 Ca 0.00 0.00 -0.21 0.00 -2.02 0.00 0.00 58.31 56.08 1r27 n LYS 703 Cb 0.00 -0.79 0.15 0.00 -0.02 0.00 0.00 35.03 34.37 1r27 n LYS 703 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 1r27 n ASN 704 N -1.28 4.33 -4.27 4.39 3.02 -1.26 -4.98 115.26 115.21 1r27 n ASN 704 Ca 0.00 -3.71 -0.18 0.00 -0.03 0.00 0.00 54.58 50.67 1r27 n ASN 704 Cb 0.00 -0.79 -0.11 0.00 -0.61 0.00 0.00 39.78 38.28 1r27 n ASN 704 CO 0.00 0.00 0.00 -1.38 -2.62 0.00 0.00 177.26 173.26 1r27 s HIS 705 N -3.42 1.47 0.33 3.10 -3.43 -1.26 -4.52 115.29 107.56 1r27 s HIS 705 Ca 0.55 -0.60 -0.29 0.00 -0.80 0.00 0.00 55.06 53.93 1r27 s HIS 705 Cb 0.46 -0.74 -0.10 0.00 -1.43 0.00 0.00 32.58 30.77 1r27 s HIS 705 CO 0.05 0.19 1.27 -1.25 -2.00 0.00 0.00 174.74 173.00 1r27 s PRO 706 N -3.13 4.36 -0.05 -0.38 0.04 -1.26 -4.86 135.00 129.71 1r27 s PRO 706 Ca 0.14 2.14 0.07 0.00 0.04 0.00 0.00 61.00 63.39 1r27 s PRO 706 Cb -0.02 -3.05 -0.10 0.00 0.04 0.00 0.00 34.50 31.36 1r27 s PRO 706 CO 0.04 -0.15 0.07 0.54 0.04 0.00 0.00 177.00 177.53 1r27 n ARG 707 N 0.78 2.04 -4.75 4.56 1.74 0.26 -4.11 116.66 117.19 1r27 n ARG 707 Ca 0.00 -0.02 -0.29 0.00 -0.77 0.00 0.00 57.85 56.77 1r27 n ARG 707 Cb 0.42 -1.19 -0.17 0.00 -1.02 0.00 0.00 32.46 30.51 1r27 n ARG 707 CO 0.00 0.00 0.00 -0.80 -1.52 0.00 0.00 177.63 175.31 1r27 s ASN 708 N -3.59 2.46 -0.09 0.55 0.02 -1.11 0.71 114.94 113.88 1r27 s ASN 708 Ca -0.03 -0.44 -0.00 0.00 -1.02 0.00 0.00 52.86 51.37 1r27 s ASN 708 Cb 0.03 -1.12 0.02 0.00 0.02 0.00 0.00 41.25 40.20 1r27 s ASN 708 CO 0.31 0.07 -0.06 -0.22 0.02 0.00 0.00 177.10 177.22 1r27 s LEU 709 N 0.67 1.09 -0.12 0.60 2.96 -0.54 -1.08 118.68 122.26 1r27 s LEU 709 Ca -0.13 -0.23 -0.13 0.00 -0.22 0.00 0.00 54.13 53.42 1r27 s LEU 709 Cb -0.16 -0.71 -0.05 0.00 0.50 0.00 0.00 46.19 45.78 1r27 s LEU 709 CO 0.03 -0.12 0.29 -0.36 -1.32 0.00 0.00 176.35 174.87 1r27 s PHE 710 N 1.61 3.55 -0.08 5.38 0.08 -0.12 -1.67 117.98 126.73 1r27 s PHE 710 Ca 0.02 0.67 0.00 0.00 0.12 0.00 0.00 56.93 57.74 1r27 s PHE 710 Cb -0.13 -2.25 0.02 0.00 -0.57 0.00 0.00 43.02 40.09 1r27 s PHE 710 CO -0.06 0.43 -0.07 0.42 -0.10 0.00 0.00 175.22 175.84 1r27 s ILE 711 N -0.17 0.85 -0.14 0.64 1.01 0.71 -0.51 121.20 123.58 1r27 s ILE 711 Ca 0.18 -0.22 -0.17 0.00 0.00 0.00 0.00 60.65 60.43 1r27 s ILE 711 Cb -0.14 -0.87 0.04 0.00 0.01 0.00 0.00 42.46 41.51 1r27 s ILE 711 CO 0.06 0.32 0.46 -1.66 0.00 0.00 0.00 174.94 174.12 1r27 s TRP 712 N 1.42 -0.48 -1.24 3.97 -2.14 -1.09 -1.18 118.94 118.20 1r27 s TRP 712 Ca -0.02 1.10 0.00 0.00 2.66 0.00 0.00 56.10 59.85 1r27 s TRP 712 Cb -0.13 0.18 0.00 0.00 -3.10 0.00 0.00 33.47 30.42 1r27 s TRP 712 CO -0.04 -0.30 0.00 0.54 -2.66 0.00 0.00 176.95 174.50 1r27 n ARG 713 N 2.45 -1.14 -3.68 3.25 1.74 -1.26 -4.33 116.66 113.69 1r27 n ARG 713 Ca -0.15 0.71 -0.14 0.00 -0.77 0.00 0.00 57.85 57.50 1r27 n ARG 713 Cb 0.57 -5.00 -0.08 0.00 -1.02 0.00 0.00 32.46 26.92 1r27 n ARG 713 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 1r27 s SER 714 N -2.37 -0.45 -0.46 0.55 0.15 -1.26 -4.43 113.70 105.43 1r27 s SER 714 Ca 0.00 0.68 0.05 0.00 0.70 0.00 0.00 55.95 57.38 1r27 s SER 714 Cb 0.00 0.72 0.42 0.00 -1.71 0.00 0.00 66.02 65.44 1r27 s SER 714 CO 0.00 -0.34 1.18 -3.20 1.20 0.00 0.00 173.24 172.08 1r27 n ASN 715 N 1.98 4.93 0.03 5.45 4.05 -1.26 -4.93 115.26 125.51 1r27 n ASN 715 Ca -0.17 -3.73 -0.05 0.00 0.45 0.00 0.00 54.58 51.08 1r27 n ASN 715 Cb 0.56 -0.49 -0.03 0.00 1.23 0.00 0.00 39.78 41.05 1r27 n ASN 715 CO 0.00 0.00 0.00 0.25 -3.05 0.00 0.00 177.26 174.46 1r27 h LEU 716 N 2.57 -0.54 -1.86 1.20 5.85 -1.95 -2.28 115.31 118.29 1r27 h LEU 716 Ca 0.33 0.06 0.00 0.00 0.84 0.00 0.00 57.88 59.10 1r27 h LEU 716 Cb 0.91 0.20 0.00 0.00 0.37 0.00 0.00 40.66 42.14 1r27 h LEU 716 CO 0.89 -0.18 0.00 -0.07 -0.34 0.00 0.00 178.44 178.74 1r27 h LEU 717 N -0.24 0.00 -2.95 2.25 3.38 -1.93 -0.50 115.31 115.33 1r27 h LEU 717 Ca 0.00 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.97 1r27 h LEU 717 Cb 0.24 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.99 1r27 h LEU 717 CO -0.11 0.00 -0.20 0.61 0.09 0.00 0.00 178.44 178.83 1r27 n GLY 718 N -0.72 4.65 0.14 0.83 0.00 -1.17 -4.85 105.19 104.08 1r27 n GLY 718 Ca -0.01 -1.13 0.00 0.00 0.00 0.00 0.00 46.02 44.88 1r27 n GLY 718 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1r27 n SER 719 N -1.23 0.00 0.08 1.61 2.88 -0.90 -4.18 113.62 111.88 1r27 n SER 719 Ca 0.16 0.00 -0.10 0.00 -1.33 0.00 0.00 58.87 57.59 1r27 n SER 719 Cb 0.67 0.03 -0.12 0.00 -0.75 0.00 0.00 64.21 64.04 1r27 n SER 719 CO 0.00 0.00 0.00 -1.28 -1.23 0.00 0.00 175.04 172.53 1r27 h SER 720 N 0.00 0.17 -2.97 -3.46 0.87 -1.42 -3.44 113.55 103.30 1r27 h SER 720 Ca 0.00 -0.18 -0.55 0.00 -1.23 0.00 0.00 61.79 59.83 1r27 h SER 720 Cb 0.00 -0.06 -0.01 0.00 -0.44 0.00 0.00 62.40 61.89 1r27 h SER 720 CO 0.00 1.14 0.79 -0.83 -0.53 0.00 0.00 176.83 177.40 1r27 s GLY 721 N -4.68 1.93 0.41 5.77 0.00 -0.20 -5.01 107.32 105.53 1r27 s GLY 721 Ca -0.01 0.72 -0.24 0.00 0.00 0.00 0.00 44.72 45.19 1r27 s GLY 721 CO 0.84 2.40 1.11 0.54 0.00 0.00 0.00 173.10 177.99 1r27 s LYS 722 N 2.49 4.06 -0.56 2.90 3.01 -1.26 -3.57 119.74 126.82 1r27 s LYS 722 Ca 0.60 1.67 -0.01 0.00 -1.01 0.00 0.00 55.97 57.22 1r27 s LYS 722 Cb -0.27 -2.57 0.00 0.00 -1.01 0.00 0.00 37.83 33.97 1r27 s LYS 722 CO 0.23 -0.26 0.47 0.41 0.51 0.00 0.00 175.35 176.71 1r27 n GLY 723 N 0.47 0.10 0.24 -3.33 0.00 -0.92 -4.68 105.19 97.08 1r27 n GLY 723 Ca 0.05 -0.22 -0.02 0.00 0.00 0.00 0.00 46.02 45.83 1r27 n GLY 723 CO 0.00 0.00 0.00 0.84 0.00 0.00 0.00 173.32 174.16 1r27 h HIS 724 N -0.93 -0.38 -0.29 1.61 2.76 -0.91 -1.80 115.15 115.22 1r27 h HIS 724 Ca -0.27 0.05 -0.01 0.00 -2.20 0.00 0.00 60.37 57.94 1r27 h HIS 724 Cb 1.16 0.26 -0.01 0.00 1.55 0.00 0.00 27.41 30.36 1r27 h HIS 724 CO 0.21 -0.27 0.13 0.93 -1.30 0.00 0.00 177.93 177.62 1r27 h GLU 725 N -0.03 0.39 -0.14 5.26 4.39 -1.82 -2.23 114.58 120.40 1r27 h GLU 725 Ca 0.28 -0.04 -0.14 0.00 0.34 0.00 0.00 59.36 59.80 1r27 h GLU 725 Cb 0.45 -0.08 -0.01 0.00 -0.10 0.00 0.00 28.75 29.01 1r27 h GLU 725 CO -0.61 0.32 -0.51 0.74 -1.16 0.00 0.00 179.01 177.78 1r27 h PHE 726 N 0.40 0.49 -0.09 4.33 -1.00 -1.64 -1.42 116.94 118.00 1r27 h PHE 726 Ca 0.10 -0.16 -0.14 0.00 2.81 0.00 0.00 57.97 60.58 1r27 h PHE 726 Cb 0.06 -0.10 -0.01 0.00 3.61 0.00 0.00 35.95 39.51 1r27 h PHE 726 CO 0.00 0.82 -0.57 0.52 -1.61 0.00 0.00 178.31 177.48 1r27 h MET 727 N 0.31 0.27 -0.24 1.51 2.86 -1.17 0.11 114.93 118.59 1r27 h MET 727 Ca 0.01 -0.18 -0.05 0.00 -2.06 0.00 0.00 59.70 57.42 1r27 h MET 727 Cb 1.00 0.02 -0.01 0.00 0.06 0.00 0.00 31.60 32.68 1r27 h MET 727 CO 0.09 0.77 -0.07 -0.07 1.06 0.00 0.00 176.91 178.69 1r27 h LEU 728 N 0.21 0.47 0.48 1.22 3.38 -1.21 -1.13 115.31 118.73 1r27 h LEU 728 Ca -0.00 -0.37 -0.02 0.00 0.09 0.00 0.00 57.88 57.57 1r27 h LEU 728 Cb 1.06 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.69 1r27 h LEU 728 CO 0.09 0.73 -0.23 0.50 0.09 0.00 0.00 178.44 179.62 1r27 h LYS 729 N 0.19 -0.62 0.09 1.13 3.64 -1.11 0.12 116.57 120.01 1r27 h LYS 729 Ca 0.06 0.04 -0.28 0.00 -1.27 0.00 0.00 60.65 59.20 1r27 h LYS 729 Cb 0.53 0.14 -0.01 0.00 -0.41 0.00 0.00 32.23 32.48 1r27 h LYS 729 CO 0.02 -0.32 -1.39 1.88 -2.27 0.00 0.00 179.45 177.37 1r27 h TYR 730 N -1.03 0.33 0.11 1.91 -1.99 -0.90 -2.57 116.97 112.82 1r27 h TYR 730 Ca -0.07 -0.24 -0.31 0.00 2.00 0.00 0.00 58.73 60.11 1r27 h TYR 730 Cb 0.59 -0.01 -0.01 0.00 2.00 0.00 0.00 36.73 39.29 1r27 h TYR 730 CO 0.01 1.25 -1.64 -0.07 -0.00 0.00 0.00 178.16 177.71 1r27 h LEU 731 N 0.05 0.35 0.02 3.88 3.38 -1.37 -1.70 115.31 119.92 1r27 h LEU 731 Ca -0.18 -0.84 -0.32 0.00 0.09 0.00 0.00 57.88 56.63 1r27 h LEU 731 Cb 1.96 -0.11 -0.05 0.00 0.09 0.00 0.00 40.66 42.55 1r27 h LEU 731 CO 0.16 1.71 -1.91 0.18 0.09 0.00 0.00 178.44 178.67 1r27 n LEU 732 N -3.81 1.10 -1.52 1.67 4.77 -0.71 -1.35 117.00 117.14 1r27 n LEU 732 Ca -0.29 0.29 -0.08 0.00 -0.03 0.00 0.00 56.01 55.90 1r27 n LEU 732 Cb 0.93 -0.03 0.03 0.00 -2.33 0.00 0.00 43.42 42.02 1r27 n LEU 732 CO 0.39 0.51 0.08 0.61 -1.33 0.00 0.00 177.39 177.65 1r27 n GLY 733 N 1.69 0.46 3.77 -0.72 0.00 0.35 -4.48 105.19 106.26 1r27 n GLY 733 Ca -0.23 -0.37 -0.32 0.00 0.00 0.00 0.00 46.02 45.10 1r27 n GLY 733 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1r27 s THR 734 N -3.11 1.32 0.43 2.61 -1.32 -0.87 -4.30 115.64 110.40 1r27 s THR 734 Ca 0.19 -1.92 -0.26 0.00 -1.21 0.00 0.00 61.69 58.49 1r27 s THR 734 Cb -0.08 -2.24 -0.08 0.00 -1.51 0.00 0.00 72.50 68.58 1r27 s THR 734 CO 0.24 0.00 1.37 -1.61 -2.21 0.00 0.00 174.62 172.41 1r27 s GLU 735 N -3.92 3.80 0.33 7.08 2.02 -1.26 -4.25 118.70 122.50 1r27 s GLU 735 Ca 0.13 2.30 0.03 0.00 0.02 0.00 0.00 54.97 57.44 1r27 s GLU 735 Cb 0.02 -2.69 -0.04 0.00 0.10 0.00 0.00 34.13 31.51 1r27 s GLU 735 CO 0.07 -0.68 0.12 -3.38 0.02 0.00 0.00 175.26 171.41 1r27 s HIS 736 N -1.23 1.72 -0.17 1.61 -3.43 -1.26 -4.77 115.29 107.76 1r27 s HIS 736 Ca 0.59 -1.23 0.15 0.00 -0.80 0.00 0.00 55.06 53.77 1r27 s HIS 736 Cb -0.41 -1.04 0.36 0.00 -1.43 0.00 0.00 32.58 30.06 1r27 s HIS 736 CO 0.53 -0.31 1.19 0.41 -2.00 0.00 0.00 174.74 174.56 1r27 n GLY 737 N -0.68 5.02 3.74 -1.38 0.00 -1.26 -5.04 105.19 105.59 1r27 n GLY 737 Ca -0.02 -1.23 -0.41 0.00 0.00 0.00 0.00 46.02 44.36 1r27 n GLY 737 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1r27 s ILE 738 N -3.07 2.30 -0.17 -0.61 1.01 -1.26 -3.89 121.20 115.50 1r27 s ILE 738 Ca 0.35 0.25 0.13 0.00 0.00 0.00 0.00 60.65 61.38 1r27 s ILE 738 Cb 0.33 -3.16 -0.20 0.00 0.01 0.00 0.00 42.46 39.45 1r27 s ILE 738 CO -0.02 0.04 0.02 0.00 0.00 0.00 0.00 174.94 174.98 1r27 n GLN 739 N 2.44 1.17 -2.08 2.79 1.13 -0.50 -4.92 117.38 117.41 1r27 n GLN 739 Ca 0.08 0.01 -0.27 0.00 -1.94 0.00 0.00 57.00 54.88 1r27 n GLN 739 Cb 0.38 -1.43 0.11 0.00 0.11 0.00 0.00 30.24 29.41 1r27 n GLN 739 CO 0.00 0.00 0.00 0.20 -1.44 0.00 0.00 177.06 175.82 1r27 s GLY 740 N -5.20 1.69 0.09 1.08 0.00 0.03 -4.95 107.32 100.06 1r27 s GLY 740 Ca -0.11 -0.98 -0.06 0.00 0.00 0.00 0.00 44.72 43.58 1r27 s GLY 740 CO 0.65 -0.44 0.34 0.54 0.00 0.00 0.00 173.10 174.19 1r27 s LYS 741 N -5.49 3.62 0.00 2.90 1.02 -1.26 -5.06 119.74 115.47 1r27 s LYS 741 Ca 0.64 -0.07 0.00 0.00 0.02 0.00 0.00 55.97 56.56 1r27 s LYS 741 Cb -0.09 -2.94 0.00 0.00 -0.52 0.00 0.00 37.83 34.28 1r27 s LYS 741 CO 0.48 0.54 0.00 -0.40 -0.92 0.00 0.00 175.35 175.05 1r27 n ASP 742 N 0.48 0.00 -0.11 2.83 5.68 -1.26 -4.77 116.55 119.41 1r27 n ASP 742 Ca -0.06 0.00 -0.24 0.00 -0.50 0.00 0.00 54.79 54.00 1r27 n ASP 742 Cb 0.52 0.00 -0.12 0.00 -1.14 0.00 0.00 41.12 40.38 1r27 n ASP 742 CO 0.00 0.00 0.00 -0.11 -1.33 0.00 0.00 177.20 175.76 1r27 n LEU 743 N 0.00 2.34 -0.07 -2.12 7.94 -0.17 -3.55 117.00 121.38 1r27 n LEU 743 Ca 0.00 0.20 0.00 0.00 -1.11 0.00 0.00 56.01 55.10 1r27 n LEU 743 Cb 0.00 -0.92 0.00 0.00 0.53 0.00 0.00 43.42 43.03 1r27 n LEU 743 CO 0.00 0.67 0.24 0.61 -1.11 0.00 0.00 177.39 177.80 1r27 n GLY 744 N 1.70 -0.34 0.33 -3.96 0.00 -1.26 -2.62 105.19 99.03 1r27 n GLY 744 Ca -0.44 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 45.57 1r27 n GLY 744 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1r27 n GLN 745 N -0.40 0.03 -0.13 1.61 6.02 -1.26 -4.64 117.38 118.60 1r27 n GLN 745 Ca 0.00 0.01 -0.02 0.00 -0.01 0.00 0.00 57.00 56.98 1r27 n GLN 745 Cb 0.02 -0.86 0.03 0.00 1.02 0.00 0.00 30.24 30.44 1r27 n GLN 745 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 177.06 177.09 1r27 n GLN 746 N -2.71 1.23 0.00 -1.09 6.02 -1.08 -4.84 117.38 114.92 1r27 n GLN 746 Ca -0.02 -0.35 0.00 0.00 -0.01 0.00 0.00 57.00 56.61 1r27 n GLN 746 Cb 0.52 -1.26 0.00 0.00 1.02 0.00 0.00 30.24 30.52 1r27 n GLN 746 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1r27 n GLY 747 N 0.24 1.19 0.00 1.08 0.00 -1.19 -4.90 105.19 101.61 1r27 n GLY 747 Ca 0.06 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.06 1r27 n GLY 747 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1r27 n GLY 748 N 0.00 0.00 3.61 -0.02 0.00 -1.20 -4.75 105.19 102.84 1r27 n GLY 748 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 1r27 n GLY 748 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1r27 s VAL 749 N 0.00 4.80 0.67 1.61 0.11 -1.26 -4.82 120.40 121.50 1r27 s VAL 749 Ca 0.00 1.12 -0.13 0.00 -2.93 0.00 0.00 61.98 60.04 1r27 s VAL 749 Cb 0.00 -4.14 -0.00 0.00 -1.53 0.00 0.00 36.38 30.71 1r27 s VAL 749 CO 0.00 -0.27 1.07 -0.54 -3.33 0.00 0.00 175.10 172.04 1r27 s LYS 750 N 2.95 2.92 0.82 1.54 1.02 -1.26 -4.80 119.74 122.93 1r27 s LYS 750 Ca 0.32 1.17 -0.14 0.00 0.02 0.00 0.00 55.97 57.34 1r27 s LYS 750 Cb -0.14 -1.98 0.03 0.00 -0.52 0.00 0.00 37.83 35.21 1r27 s LYS 750 CO 0.13 -1.13 0.72 -2.30 -0.92 0.00 0.00 175.35 171.85 1r27 n PRO 751 N -2.66 0.08 -0.01 -1.68 -0.02 -1.26 -4.68 135.00 124.77 1r27 n PRO 751 Ca 0.09 0.08 0.10 0.00 -2.02 0.00 0.00 63.50 61.75 1r27 n PRO 751 Cb 0.53 -2.04 -0.14 0.00 -0.02 0.00 0.00 33.50 31.83 1r27 n PRO 751 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 1r27 n GLU 752 N -1.89 0.53 -0.00 -0.52 1.02 -1.26 -4.52 120.64 114.00 1r27 n GLU 752 Ca 0.10 -0.11 0.05 0.00 -0.02 0.00 0.00 57.16 57.19 1r27 n GLU 752 Cb 0.51 -1.47 -0.08 0.00 -0.02 0.00 0.00 31.44 30.39 1r27 n GLU 752 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 1r27 n GLU 753 N -1.90 0.40 -4.88 3.49 -0.58 -1.26 -5.01 120.64 110.90 1r27 n GLU 753 Ca -0.01 -0.09 -0.33 0.00 -0.42 0.00 0.00 57.16 56.32 1r27 n GLU 753 Cb 0.44 -1.23 -0.14 0.00 -0.57 0.00 0.00 31.44 29.94 1r27 n GLU 753 CO 0.00 0.00 0.00 0.08 -0.48 0.00 0.00 177.13 176.73 1r27 s VAL 754 N -2.69 2.98 0.78 2.62 1.01 -1.26 -4.67 120.40 119.17 1r27 s VAL 754 Ca -0.04 -0.73 -0.15 0.00 0.00 0.00 0.00 61.98 61.07 1r27 s VAL 754 Cb 0.07 -2.19 0.04 0.00 0.00 0.00 0.00 36.38 34.30 1r27 s VAL 754 CO 0.42 0.57 1.02 0.47 0.00 0.00 0.00 175.10 177.58 1r27 n ASP 755 N 2.77 0.48 -4.22 3.32 9.92 -0.86 -4.61 116.55 123.35 1r27 n ASP 755 Ca -0.18 0.60 -0.27 0.00 -0.53 0.00 0.00 54.79 54.42 1r27 n ASP 755 Cb 0.52 -1.43 -0.15 0.00 -0.64 0.00 0.00 41.12 39.42 1r27 n ASP 755 CO 0.00 0.00 0.00 0.86 0.13 0.00 0.00 177.20 178.19 1r27 s TRP 756 N -2.00 1.86 -0.02 1.24 -0.11 -1.26 -4.95 118.94 113.69 1r27 s TRP 756 Ca 0.72 -0.35 0.02 0.00 1.22 0.00 0.00 56.10 57.71 1r27 s TRP 756 Cb -0.31 -1.18 0.00 0.00 -1.50 0.00 0.00 33.47 30.48 1r27 s TRP 756 CO 0.52 -0.02 -0.08 -0.65 -4.62 0.00 0.00 176.95 172.10 1r27 s GLN 757 N -0.57 0.85 0.44 5.86 -0.21 -1.26 -5.02 119.66 119.75 1r27 s GLN 757 Ca 0.08 -0.27 0.23 0.00 0.02 0.00 0.00 55.36 55.42 1r27 s GLN 757 Cb -0.08 -0.81 0.93 0.00 1.00 0.00 0.00 33.01 34.05 1r27 s GLN 757 CO -0.00 0.11 1.84 -0.44 -2.12 0.00 0.00 175.29 174.67 1r27 h ASP 758 N 6.35 0.00 -3.68 5.90 3.32 -2.00 -3.38 116.42 122.93 1r27 h ASP 758 Ca -0.33 0.00 -0.65 0.00 0.02 0.00 0.00 57.03 56.07 1r27 h ASP 758 Cb 1.17 0.00 -0.39 0.00 0.22 0.00 0.00 39.33 40.33 1r27 h ASP 758 CO 0.49 0.25 -0.75 0.20 -1.72 0.00 0.00 179.24 177.70 1r27 s ASN 759 N -6.25 4.48 0.50 6.45 0.01 -1.26 -4.98 114.94 113.89 1r27 s ASN 759 Ca -0.00 -1.76 -0.21 0.00 -0.71 0.00 0.00 52.86 50.17 1r27 s ASN 759 Cb 0.11 -1.47 -0.06 0.00 0.41 0.00 0.00 41.25 40.23 1r27 s ASN 759 CO 0.64 -0.31 1.17 -0.83 -1.51 0.00 0.00 177.10 176.26 1r27 s GLY 760 N 1.09 2.74 0.20 0.66 0.00 -1.26 -4.97 107.32 105.79 1r27 s GLY 760 Ca 0.03 0.93 -0.31 0.00 0.00 0.00 0.00 44.72 45.38 1r27 s GLY 760 CO -0.09 1.36 1.52 -2.27 0.00 0.00 0.00 173.10 173.62 1r27 s LEU 761 N -3.38 4.37 0.31 0.66 2.96 -1.26 -5.01 118.68 117.33 1r27 s LEU 761 Ca 0.68 2.65 0.10 0.00 -0.22 0.00 0.00 54.13 57.34 1r27 s LEU 761 Cb -0.28 -3.61 -0.05 0.00 0.50 0.00 0.00 46.19 42.75 1r27 s LEU 761 CO 0.33 -0.78 -0.02 -1.61 -1.32 0.00 0.00 176.35 172.95 1r27 s GLU 762 N 0.46 2.08 -1.32 1.98 2.02 -1.26 -4.76 118.70 117.90 1r27 s GLU 762 Ca 0.65 -1.66 -0.03 0.00 0.02 0.00 0.00 54.97 53.95 1r27 s GLU 762 Cb -0.43 -1.97 0.01 0.00 0.10 0.00 0.00 34.13 31.84 1r27 s GLU 762 CO 0.37 0.22 0.89 0.41 0.02 0.00 0.00 175.26 177.17 1r27 n GLY 763 N -0.90 -0.37 0.29 -1.39 0.00 -0.98 -4.86 105.19 96.98 1r27 n GLY 763 Ca -0.05 0.15 0.03 0.00 0.00 0.00 0.00 46.02 46.15 1r27 n GLY 763 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1r27 h LYS 764 N -2.02 0.46 -6.06 1.61 1.57 -1.15 -3.42 116.57 107.56 1r27 h LYS 764 Ca -0.60 -0.05 -0.58 0.00 -1.87 0.00 0.00 60.65 57.55 1r27 h LYS 764 Cb 1.36 -0.09 -0.07 0.00 0.08 0.00 0.00 32.23 33.51 1r27 h LYS 764 CO 0.56 0.39 0.72 -0.51 -0.57 0.00 0.00 179.45 180.04 1r27 s LEU 765 N -9.26 4.06 0.17 2.94 1.43 -0.46 -4.44 118.68 113.11 1r27 s LEU 765 Ca -0.07 1.19 0.01 0.00 -1.03 0.00 0.00 54.13 54.22 1r27 s LEU 765 Cb 0.17 -3.44 0.01 0.00 0.03 0.00 0.00 46.19 42.95 1r27 s LEU 765 CO 0.74 -0.69 1.39 0.44 0.23 0.00 0.00 176.35 178.46 1r27 h ASP 766 N 7.68 0.34 -3.33 2.29 3.32 0.03 -3.46 116.42 123.30 1r27 h ASP 766 Ca -0.20 -0.26 -0.18 0.00 0.02 0.00 0.00 57.03 56.41 1r27 h ASP 766 Cb 1.07 -0.10 -0.29 0.00 0.22 0.00 0.00 39.33 40.23 1r27 h ASP 766 CO 0.97 1.04 -0.44 -0.22 -1.72 0.00 0.00 179.24 178.87 1r27 s LEU 767 N -7.61 0.30 -0.20 1.55 2.96 -0.69 -5.03 118.68 109.95 1r27 s LEU 767 Ca -0.04 0.61 0.02 0.00 -0.22 0.00 0.00 54.13 54.50 1r27 s LEU 767 Cb 0.10 0.88 0.03 0.00 0.50 0.00 0.00 46.19 47.71 1r27 s LEU 767 CO 0.83 -0.17 -0.17 -0.69 -1.32 0.00 0.00 176.35 174.83 1r27 s VAL 768 N 1.28 2.07 -0.15 1.68 1.01 -1.26 -1.46 120.40 123.56 1r27 s VAL 768 Ca -0.09 -1.14 0.00 0.00 0.00 0.00 0.00 61.98 60.75 1r27 s VAL 768 Cb -0.10 -1.97 -0.00 0.00 0.00 0.00 0.00 36.38 34.31 1r27 s VAL 768 CO -0.09 0.36 -0.15 -0.69 0.00 0.00 0.00 175.10 174.53 1r27 s VAL 769 N 1.24 2.69 -0.06 2.92 1.01 -0.67 -1.41 120.40 126.13 1r27 s VAL 769 Ca 0.01 -0.76 0.04 0.00 0.00 0.00 0.00 61.98 61.27 1r27 s VAL 769 Cb -0.15 -2.13 -0.00 0.00 0.00 0.00 0.00 36.38 34.09 1r27 s VAL 769 CO -0.11 0.52 -0.20 -0.89 0.00 0.00 0.00 175.10 174.42 1r27 s THR 770 N 0.75 1.67 -0.20 3.92 2.01 -0.71 -0.21 115.64 122.87 1r27 s THR 770 Ca -0.06 -0.83 -0.05 0.00 0.31 0.00 0.00 61.69 61.05 1r27 s THR 770 Cb -0.15 -1.44 -0.03 0.00 0.01 0.00 0.00 72.50 70.89 1r27 s THR 770 CO 0.01 0.47 0.00 -0.76 -0.69 0.00 0.00 174.62 173.66 1r27 s LEU 771 N 0.11 3.30 0.29 4.42 1.02 -0.32 -0.69 118.68 126.82 1r27 s LEU 771 Ca -0.08 -0.18 -0.20 0.00 0.02 0.00 0.00 54.13 53.69 1r27 s LEU 771 Cb -0.14 -1.83 0.02 0.00 0.02 0.00 0.00 46.19 44.26 1r27 s LEU 771 CO 0.04 0.07 0.73 -0.62 0.02 0.00 0.00 176.35 176.59 1r27 s ASP 772 N 0.94 -0.23 0.00 2.29 -1.08 -0.78 -4.08 116.67 113.73 1r27 s ASP 772 Ca 0.01 -0.68 0.10 0.00 -0.52 0.00 0.00 52.55 51.46 1r27 s ASP 772 Cb -0.14 0.74 -0.04 0.00 -1.46 0.00 0.00 42.92 42.02 1r27 s ASP 772 CO 0.02 -1.39 0.54 2.22 0.52 0.00 0.00 175.17 177.08 1r27 n PHE 773 N -0.47 0.00 -4.12 -5.34 1.16 -1.26 -0.50 117.46 106.92 1r27 n PHE 773 Ca -0.04 0.00 -0.16 0.00 -1.87 0.00 0.00 57.45 55.38 1r27 n PHE 773 Cb 0.59 0.00 -0.12 0.00 -1.61 0.00 0.00 39.48 38.34 1r27 n PHE 773 CO 0.00 0.00 0.00 -0.98 -1.87 0.00 0.00 176.76 173.91 1r27 s ARG 774 N -1.54 0.69 -0.82 3.97 1.70 -1.26 -1.46 118.95 120.23 1r27 s ARG 774 Ca 0.06 -0.88 -0.25 0.00 -0.47 0.00 0.00 55.73 54.20 1r27 s ARG 774 Cb 0.08 -0.58 0.05 0.00 -0.57 0.00 0.00 34.95 33.92 1r27 s ARG 774 CO 0.30 0.12 1.27 -1.17 -1.08 0.00 0.00 175.30 174.73 1r27 s LEU 775 N -1.70 3.58 0.77 -1.89 0.20 -0.90 -4.83 118.68 113.90 1r27 s LEU 775 Ca -0.05 -0.93 -0.06 0.00 0.69 0.00 0.00 54.13 53.78 1r27 s LEU 775 Cb -0.10 -2.53 0.13 0.00 -0.43 0.00 0.00 46.19 43.26 1r27 s LEU 775 CO 0.01 -1.63 1.07 -0.94 -0.29 0.00 0.00 176.35 174.57 1r27 s SER 776 N 4.07 4.18 0.41 3.68 1.04 -1.26 -4.89 113.70 120.94 1r27 s SER 776 Ca 0.36 -0.03 0.08 0.00 0.48 0.00 0.00 55.95 56.84 1r27 s SER 776 Cb -0.07 -0.35 0.87 0.00 0.10 0.00 0.00 66.02 66.57 1r27 s SER 776 CO 0.05 -1.99 2.05 0.28 0.98 0.00 0.00 173.24 174.62 1r27 h SER 777 N -0.79 0.43 0.03 7.02 0.02 -1.93 -1.08 113.55 117.26 1r27 h SER 777 Ca -0.40 -0.02 -0.16 0.00 -0.84 0.00 0.00 61.79 60.37 1r27 h SER 777 Cb 1.27 -0.11 -0.01 0.00 0.14 0.00 0.00 62.40 63.70 1r27 h SER 777 CO 0.44 0.33 -0.55 0.74 -1.14 0.00 0.00 176.83 176.66 1r27 h THR 778 N 0.50 1.32 -0.44 -2.27 2.02 -1.87 -3.02 112.91 109.15 1r27 h THR 778 Ca 0.13 -1.79 -0.06 0.00 0.77 0.00 0.00 66.41 65.46 1r27 h THR 778 Cb -0.02 1.77 -0.02 0.00 -1.74 0.00 0.00 68.15 68.14 1r27 h THR 778 CO -0.03 0.56 0.05 0.00 0.37 0.00 0.00 175.52 176.47 1r27 h LEU 780 N 0.60 0.00 -2.45 0.00 5.85 -1.10 -0.92 115.31 117.29 1r27 h LEU 780 Ca 0.13 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.85 1r27 h LEU 780 Cb 0.42 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.45 1r27 h LEU 780 CO 0.01 0.00 0.00 -1.22 -0.34 0.00 0.00 178.44 176.89 1r27 n TYR 781 N -3.48 0.36 -2.35 1.25 4.01 -1.04 -2.19 117.16 113.71 1r27 n TYR 781 Ca 0.02 -0.35 -0.24 0.00 -0.16 0.00 0.00 57.90 57.16 1r27 n TYR 781 Cb 0.39 -0.02 0.07 0.00 -0.31 0.00 0.00 39.34 39.47 1r27 n TYR 781 CO 0.00 0.00 0.00 -1.12 -0.46 0.00 0.00 176.86 175.28 1r27 s SER 782 N -1.01 4.79 -0.14 7.72 0.01 -0.35 -4.48 113.70 120.23 1r27 s SER 782 Ca 0.22 0.22 0.06 0.00 1.31 0.00 0.00 55.95 57.76 1r27 s SER 782 Cb 0.12 -0.87 -0.23 0.00 0.21 0.00 0.00 66.02 65.25 1r27 s SER 782 CO 0.17 -1.57 0.27 0.47 0.41 0.00 0.00 173.24 172.98 1r27 n ASP 783 N -2.80 1.30 -3.94 2.44 8.00 -0.50 -4.79 116.55 116.25 1r27 n ASP 783 Ca 0.09 0.15 -0.18 0.00 0.71 0.00 0.00 54.79 55.56 1r27 n ASP 783 Cb 0.60 -0.16 -0.15 0.00 -0.02 0.00 0.00 41.12 41.39 1r27 n ASP 783 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1r27 s ILE 784 N -2.55 0.51 -0.13 0.53 1.01 -1.00 -1.68 121.20 117.89 1r27 s ILE 784 Ca -0.17 -0.20 0.03 0.00 0.00 0.00 0.00 60.65 60.31 1r27 s ILE 784 Cb 0.07 -0.48 0.01 0.00 0.01 0.00 0.00 42.46 42.07 1r27 s ILE 784 CO 0.76 0.18 -0.22 -0.63 0.00 0.00 0.00 174.94 175.04 1r27 s ILE 785 N 0.35 2.00 -0.19 2.92 1.01 -0.40 -1.74 121.20 125.16 1r27 s ILE 785 Ca -0.04 -0.95 -0.04 0.00 0.00 0.00 0.00 60.65 59.62 1r27 s ILE 785 Cb -0.08 -1.77 -0.02 0.00 0.01 0.00 0.00 42.46 40.60 1r27 s ILE 785 CO -0.00 0.54 -0.04 -0.76 0.00 0.00 0.00 174.94 174.68 1r27 s LEU 786 N 0.76 3.04 -0.22 2.97 1.43 0.14 -0.77 118.68 126.03 1r27 s LEU 786 Ca -0.09 -0.28 -0.29 0.00 -1.03 0.00 0.00 54.13 52.44 1r27 s LEU 786 Cb -0.16 -1.75 -0.02 0.00 0.03 0.00 0.00 46.19 44.29 1r27 s LEU 786 CO -0.00 0.07 1.44 -2.16 0.23 0.00 0.00 176.35 175.92 1r27 s PRO 787 N 0.95 3.97 0.18 1.29 0.04 -1.26 -1.87 135.00 138.31 1r27 s PRO 787 Ca -0.00 1.58 0.04 0.00 0.04 0.00 0.00 61.00 62.67 1r27 s PRO 787 Cb -0.15 -3.92 -0.04 0.00 0.04 0.00 0.00 34.50 30.44 1r27 s PRO 787 CO 0.01 -1.06 0.22 -0.08 0.04 0.00 0.00 177.00 176.13 1r27 s THR 788 N 4.42 4.86 0.35 1.26 -1.32 0.34 -1.95 115.64 123.59 1r27 s THR 788 Ca 0.63 -0.98 -0.27 0.00 -1.21 0.00 0.00 61.69 59.85 1r27 s THR 788 Cb -0.22 -3.53 -0.09 0.00 -1.51 0.00 0.00 72.50 67.15 1r27 s THR 788 CO 0.24 -0.16 1.20 0.00 -2.21 0.00 0.00 174.62 173.68 1r27 s ALA 789 N -1.83 3.33 1.09 11.08 0.00 0.30 -4.36 121.76 131.37 1r27 s ALA 789 Ca 0.33 1.05 -0.16 0.00 0.00 0.00 0.00 51.96 53.18 1r27 s ALA 789 Cb -0.10 -3.40 0.23 0.00 0.00 0.00 0.00 23.12 19.85 1r27 s ALA 789 CO 0.26 -0.48 1.12 0.95 0.00 0.00 0.00 175.76 177.62 1r27 s THR 790 N -1.26 1.81 -0.10 0.00 -4.23 -1.26 -4.88 115.64 105.72 1r27 s THR 790 Ca 0.51 0.00 0.29 0.00 -1.18 0.00 0.00 61.69 61.31 1r27 s THR 790 Cb -0.34 -2.56 0.31 0.00 1.34 0.00 0.00 72.50 71.25 1r27 s THR 790 CO 0.44 0.00 1.87 -0.50 -0.54 0.00 0.00 174.62 175.89 1r27 h TRP 791 N -2.17 0.00 -0.64 3.99 6.55 -1.93 -1.36 115.95 120.40 1r27 h TRP 791 Ca -0.49 0.00 0.00 0.00 0.95 0.00 0.00 58.89 59.35 1r27 h TRP 791 Cb 1.31 0.00 0.00 0.00 -0.86 0.00 0.00 29.16 29.61 1r27 h TRP 791 CO -0.98 0.00 0.00 0.66 -1.05 0.00 0.00 178.44 177.07 1r27 n TYR 792 N -2.61 1.19 -0.88 0.49 4.01 -1.26 -4.07 117.16 114.03 1r27 n TYR 792 Ca 0.00 -0.51 0.02 0.00 -0.16 0.00 0.00 57.90 57.25 1r27 n TYR 792 Cb 0.20 -0.13 0.03 0.00 -0.31 0.00 0.00 39.34 39.12 1r27 n TYR 792 CO 0.00 0.00 0.00 0.39 -0.46 0.00 0.00 176.86 176.79 1r27 n GLU 793 N 1.23 1.23 -3.64 -0.72 1.02 -0.51 -0.70 120.64 118.56 1r27 n GLU 793 Ca 0.23 -1.34 -0.11 0.00 -0.02 0.00 0.00 57.16 55.93 1r27 n GLU 793 Cb 0.73 -0.87 -0.05 0.00 -0.02 0.00 0.00 31.44 31.23 1r27 n GLU 793 CO 0.00 0.00 0.00 -1.59 1.18 0.00 0.00 177.13 176.72 1r27 s LYS 794 N -0.91 1.05 -0.12 3.49 -2.85 -1.23 -4.24 119.74 114.93 1r27 s LYS 794 Ca 0.07 -0.69 -0.14 0.00 -1.00 0.00 0.00 55.97 54.21 1r27 s LYS 794 Cb 0.06 0.46 -0.05 0.00 -2.06 0.00 0.00 37.83 36.24 1r27 s LYS 794 CO 0.01 -0.41 0.31 -0.51 0.10 0.00 0.00 175.35 174.85 1r27 s ASP 795 N -2.75 6.52 0.25 0.03 1.01 -1.26 -2.22 116.67 118.25 1r27 s ASP 795 Ca 0.02 0.61 -0.20 0.00 0.71 0.00 0.00 52.55 53.69 1r27 s ASP 795 Cb 0.02 -2.19 0.07 0.00 1.01 0.00 0.00 42.92 41.83 1r27 s ASP 795 CO -0.11 0.17 0.98 -0.67 0.21 0.00 0.00 175.17 175.74 1r27 n ASP 796 N 3.09 -1.92 -4.25 0.27 -0.08 -0.73 -4.80 116.55 108.12 1r27 n ASP 796 Ca -0.13 -2.11 -0.18 0.00 -1.51 0.00 0.00 54.79 50.86 1r27 n ASP 796 Cb 0.52 3.15 -0.11 0.00 2.34 0.00 0.00 41.12 47.02 1r27 n ASP 796 CO 0.00 0.00 0.00 -0.04 0.12 0.00 0.00 177.20 177.28 1r27 s MET 797 N -2.06 1.06 -0.06 -0.67 -1.94 -1.26 -0.58 119.30 113.79 1r27 s MET 797 Ca 0.21 -1.28 -0.05 0.00 -1.71 0.00 0.00 55.69 52.87 1r27 s MET 797 Cb -0.03 -0.93 0.02 0.00 2.01 0.00 0.00 34.83 35.89 1r27 s MET 797 CO 0.07 0.18 0.15 1.21 -0.01 0.00 0.00 175.02 176.62 1r27 s ASN 798 N -2.55 -0.15 0.13 3.03 3.84 -0.51 -2.33 114.94 116.40 1r27 s ASN 798 Ca 0.10 0.30 -0.00 0.00 0.21 0.00 0.00 52.86 53.47 1r27 s ASN 798 Cb -0.04 0.28 -0.04 0.00 -0.55 0.00 0.00 41.25 40.89 1r27 s ASN 798 CO 0.03 -0.08 0.03 0.42 -2.79 0.00 0.00 177.10 174.72 1r27 s THR 799 N 0.36 0.23 0.17 -5.21 -4.23 -0.78 -2.80 115.64 103.37 1r27 s THR 799 Ca -0.02 -1.91 -0.09 0.00 -1.18 0.00 0.00 61.69 58.48 1r27 s THR 799 Cb -0.04 -1.98 -0.01 0.00 1.34 0.00 0.00 72.50 71.81 1r27 s THR 799 CO -0.01 -0.54 0.30 -0.55 -0.54 0.00 0.00 174.62 173.27 1r27 s SER 800 N -3.05 0.03 0.29 3.99 0.15 -1.25 -4.52 113.70 109.33 1r27 s SER 800 Ca 0.22 -0.85 0.09 0.00 0.70 0.00 0.00 55.95 56.11 1r27 s SER 800 Cb 0.07 0.44 0.44 0.00 -1.71 0.00 0.00 66.02 65.26 1r27 s SER 800 CO 0.01 -0.90 1.67 0.44 1.20 0.00 0.00 173.24 175.65 1r27 h ASP 801 N 2.52 0.08 -0.07 5.45 5.19 -1.85 -3.30 116.42 124.45 1r27 h ASP 801 Ca -0.31 -0.04 -0.07 0.00 -0.62 0.00 0.00 57.03 55.98 1r27 h ASP 801 Cb 1.23 -0.02 -0.01 0.00 0.18 0.00 0.00 39.33 40.70 1r27 h ASP 801 CO 0.48 0.59 -0.17 0.24 -3.12 0.00 0.00 179.24 177.26 1r27 h MET 802 N 0.05 0.44 -4.29 3.56 2.86 -1.88 -3.39 114.93 112.27 1r27 h MET 802 Ca -0.00 -0.13 -0.18 0.00 -2.06 0.00 0.00 59.70 57.32 1r27 h MET 802 Cb 0.96 -0.04 -0.13 0.00 0.06 0.00 0.00 31.60 32.44 1r27 h MET 802 CO 0.07 0.60 -0.46 -3.38 1.06 0.00 0.00 176.91 174.80 1r27 s HIS 803 N -4.65 0.91 -1.87 -0.22 -3.43 -1.24 -1.73 115.29 103.06 1r27 s HIS 803 Ca -0.07 -1.17 0.15 0.00 -0.80 0.00 0.00 55.06 53.17 1r27 s HIS 803 Cb 0.14 -0.32 0.46 0.00 -1.43 0.00 0.00 32.58 31.43 1r27 s HIS 803 CO 0.77 -0.76 1.37 -0.35 -2.00 0.00 0.00 174.74 173.78 1r27 n PRO 804 N -0.31 2.30 -3.35 -0.38 -0.04 -1.26 -4.40 135.00 127.56 1r27 n PRO 804 Ca 0.01 -1.85 -0.34 0.00 -0.04 0.00 0.00 63.50 61.28 1r27 n PRO 804 Cb 0.65 -1.45 -0.06 0.00 -0.04 0.00 0.00 33.50 32.60 1r27 n PRO 804 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 1r27 s PHE 805 N -1.40 3.54 -0.12 0.54 0.08 -1.26 -1.21 117.98 118.15 1r27 s PHE 805 Ca 0.34 1.03 0.03 0.00 0.12 0.00 0.00 56.93 58.45 1r27 s PHE 805 Cb 0.19 -2.36 0.01 0.00 -0.57 0.00 0.00 43.02 40.29 1r27 s PHE 805 CO 0.22 0.36 -0.22 -1.50 -0.10 0.00 0.00 175.22 173.98 1r27 s ILE 806 N -1.60 1.96 0.23 0.64 2.07 -0.24 -4.51 121.20 119.75 1r27 s ILE 806 Ca 0.42 -0.94 -0.03 0.00 -1.41 0.00 0.00 60.65 58.69 1r27 s ILE 806 Cb -0.14 -1.72 -0.03 0.00 0.13 0.00 0.00 42.46 40.70 1r27 s ILE 806 CO 0.20 0.53 0.23 -1.38 -1.91 0.00 0.00 174.94 172.61 1r27 s HIS 807 N 0.62 1.05 0.39 3.50 -3.43 -1.12 -2.71 115.29 113.58 1r27 s HIS 807 Ca -0.12 -1.27 0.08 0.00 -0.80 0.00 0.00 55.06 52.94 1r27 s HIS 807 Cb -0.17 -0.40 -0.05 0.00 -1.43 0.00 0.00 32.58 30.54 1r27 s HIS 807 CO 0.03 -0.75 0.18 -1.25 -2.00 0.00 0.00 174.74 170.94 1r27 s PRO 808 N -4.02 2.28 -0.09 -0.38 0.04 -1.26 -1.42 135.00 130.15 1r27 s PRO 808 Ca 0.35 -1.73 -0.06 0.00 0.04 0.00 0.00 61.00 59.60 1r27 s PRO 808 Cb 0.05 -2.07 -0.04 0.00 0.04 0.00 0.00 34.50 32.48 1r27 s PRO 808 CO 0.13 -0.05 0.16 -0.51 0.04 0.00 0.00 177.00 176.77 1r27 s LEU 809 N -3.90 4.39 0.06 -3.56 1.02 0.25 -2.81 118.68 114.14 1r27 s LEU 809 Ca 0.40 0.45 0.00 0.00 0.02 0.00 0.00 54.13 55.00 1r27 s LEU 809 Cb 0.01 -2.22 -0.04 0.00 0.02 0.00 0.00 46.19 43.96 1r27 s LEU 809 CO 0.23 0.37 -0.04 -0.44 0.02 0.00 0.00 176.35 176.49 1r27 s SER 810 N -1.27 0.71 -0.53 2.29 0.01 -0.94 -1.78 113.70 112.19 1r27 s SER 810 Ca 0.18 -0.97 -0.22 0.00 1.31 0.00 0.00 55.95 56.25 1r27 s SER 810 Cb -0.12 0.16 0.05 0.00 0.21 0.00 0.00 66.02 66.31 1r27 s SER 810 CO 0.08 -0.53 0.80 0.00 0.41 0.00 0.00 173.24 173.99 1r27 s ALA 811 N -3.66 3.26 0.23 1.44 0.00 -1.22 -3.82 121.76 117.99 1r27 s ALA 811 Ca 0.07 -1.45 0.06 0.00 0.00 0.00 0.00 51.96 50.64 1r27 s ALA 811 Cb 0.06 -3.56 0.22 0.00 0.00 0.00 0.00 23.12 19.84 1r27 s ALA 811 CO -0.08 -2.21 1.53 0.00 0.00 0.00 0.00 175.76 175.01 1r27 h ALA 812 N 9.16 0.81 -2.49 0.00 0.00 -1.26 -3.46 119.26 122.03 1r27 h ALA 812 Ca -0.27 -0.60 -0.09 0.00 0.00 0.00 0.00 54.91 53.95 1r27 h ALA 812 Cb 1.08 -0.09 -0.14 0.00 0.00 0.00 0.00 17.79 18.64 1r27 h ALA 812 CO 1.03 0.80 -0.40 0.14 0.00 0.00 0.00 179.25 180.82 1r27 s VAL 813 N -3.56 0.15 0.71 0.00 -7.23 -1.23 -5.02 120.40 104.21 1r27 s VAL 813 Ca -0.03 -1.22 -0.14 0.00 -1.81 0.00 0.00 61.98 58.79 1r27 s VAL 813 Cb 0.12 -1.32 0.03 0.00 0.56 0.00 0.00 36.38 35.77 1r27 s VAL 813 CO 0.79 -0.67 1.13 -1.81 -0.31 0.00 0.00 175.10 174.23 1r27 s ASP 814 N -2.80 4.68 0.17 4.85 1.01 -1.26 -4.44 116.67 118.89 1r27 s ASP 814 Ca 0.04 2.06 -0.33 0.00 0.71 0.00 0.00 52.55 55.03 1r27 s ASP 814 Cb 0.05 -2.56 -0.15 0.00 1.01 0.00 0.00 42.92 41.27 1r27 s ASP 814 CO -0.10 -1.92 1.32 -2.65 0.21 0.00 0.00 175.17 172.02 1r27 n PRO 815 N -2.77 1.54 -2.06 8.23 -0.02 -1.26 -4.92 135.00 133.73 1r27 n PRO 815 Ca 0.11 0.55 -0.33 0.00 -2.02 0.00 0.00 63.50 61.81 1r27 n PRO 815 Cb 0.52 -2.15 0.01 0.00 -0.02 0.00 0.00 33.50 31.85 1r27 n PRO 815 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1r27 s ALA 816 N 0.11 2.74 0.00 3.55 0.00 -1.26 -4.71 121.76 122.19 1r27 s ALA 816 Ca 0.74 0.41 0.00 0.00 0.00 0.00 0.00 51.96 53.12 1r27 s ALA 816 Cb -0.79 -3.24 0.00 0.00 0.00 0.00 0.00 23.12 19.09 1r27 s ALA 816 CO 0.49 -0.80 0.00 0.91 0.00 0.00 0.00 175.76 176.36 1r27 n TRP 817 N -1.98 0.00 -0.65 0.00 8.01 -1.26 -1.62 117.44 119.94 1r27 n TRP 817 Ca 0.09 0.00 0.08 0.00 -1.31 0.00 0.00 57.50 56.36 1r27 n TRP 817 Cb 0.53 0.00 0.29 0.00 -2.01 0.00 0.00 31.31 30.12 1r27 n TRP 817 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 177.69 177.07 1r27 n GLU 818 N 14.00 3.42 -2.02 -0.99 1.02 -0.57 -5.02 120.64 130.49 1r27 n GLU 818 Ca 0.00 -2.72 -0.36 0.00 -0.02 0.00 0.00 57.16 54.06 1r27 n GLU 818 Cb 0.00 -1.77 0.03 0.00 -0.02 0.00 0.00 31.44 29.68 1r27 n GLU 818 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1r27 s ALA 819 N -1.99 2.59 0.08 0.62 0.00 -0.64 -4.89 121.76 117.53 1r27 s ALA 819 Ca 0.43 1.02 0.02 0.00 0.00 0.00 0.00 51.96 53.43 1r27 s ALA 819 Cb 0.29 -3.45 -0.04 0.00 0.00 0.00 0.00 23.12 19.92 1r27 s ALA 819 CO 0.18 -1.14 -0.07 0.15 0.00 0.00 0.00 175.76 174.88 1r27 s LYS 820 N -3.27 0.76 0.65 0.00 1.02 -0.82 -4.71 119.74 113.37 1r27 s LYS 820 Ca 0.76 -1.18 -0.14 0.00 0.02 0.00 0.00 55.97 55.43 1r27 s LYS 820 Cb -0.31 -0.26 -0.01 0.00 -0.52 0.00 0.00 37.83 36.74 1r27 s LYS 820 CO 0.34 0.01 1.08 -1.54 -0.92 0.00 0.00 175.35 174.32 1r27 s SER 821 N -2.63 5.32 0.34 2.83 1.04 -1.26 -0.54 113.70 118.80 1r27 s SER 821 Ca 0.06 1.88 0.05 0.00 0.48 0.00 0.00 55.95 58.42 1r27 s SER 821 Cb 0.01 -2.54 0.69 0.00 0.10 0.00 0.00 66.02 64.28 1r27 s SER 821 CO -0.03 -1.48 1.91 0.44 0.98 0.00 0.00 173.24 175.06 1r27 h ASP 822 N 0.01 0.75 -0.25 7.02 3.32 -1.91 -0.40 116.42 124.97 1r27 h ASP 822 Ca -0.46 0.02 -0.01 0.00 0.02 0.00 0.00 57.03 56.60 1r27 h ASP 822 Cb 1.23 -0.14 -0.01 0.00 0.22 0.00 0.00 39.33 40.63 1r27 h ASP 822 CO 0.55 0.45 0.13 -0.25 -1.72 0.00 0.00 179.24 178.40 1r27 h TRP 823 N 0.83 0.34 -0.33 4.55 2.91 -1.85 -2.20 115.95 120.21 1r27 h TRP 823 Ca 0.39 -0.01 -0.09 0.00 1.13 0.00 0.00 58.89 60.31 1r27 h TRP 823 Cb 0.41 -0.11 -0.02 0.00 -0.51 0.00 0.00 29.16 28.93 1r27 h TRP 823 CO -0.00 0.30 -0.19 0.93 -1.03 0.00 0.00 178.44 178.45 1r27 h GLU 824 N 0.28 0.60 0.16 2.65 4.39 -1.70 -1.89 114.58 119.08 1r27 h GLU 824 Ca 0.09 -0.21 -0.01 0.00 0.34 0.00 0.00 59.36 59.57 1r27 h GLU 824 Cb 0.07 -0.04 0.00 0.00 -0.10 0.00 0.00 28.75 28.68 1r27 h GLU 824 CO -0.01 0.76 -0.08 0.82 -1.16 0.00 0.00 179.01 179.34 1r27 h ILE 825 N 0.54 0.92 0.00 3.13 2.04 -0.89 -1.80 117.51 121.46 1r27 h ILE 825 Ca 0.09 -0.35 -0.08 0.00 1.00 0.00 0.00 64.86 65.51 1r27 h ILE 825 Cb 0.63 1.14 -0.01 0.00 -0.74 0.00 0.00 36.82 37.83 1r27 h ILE 825 CO 0.04 0.08 -0.39 1.88 0.00 0.00 0.00 178.15 179.76 1r27 h TYR 826 N -0.38 0.00 -0.43 1.37 0.05 -1.41 -1.99 116.97 114.18 1r27 h TYR 826 Ca -0.02 0.00 -0.10 0.00 0.05 0.00 0.00 58.73 58.66 1r27 h TYR 826 Cb 0.30 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 38.02 1r27 h TYR 826 CO -0.02 0.39 -0.13 -0.22 -1.05 0.00 0.00 178.16 177.13 1r27 h LYS 827 N 0.00 0.79 -0.05 4.88 3.64 -1.19 0.71 116.57 125.35 1r27 h LYS 827 Ca -0.00 -0.27 -0.17 0.00 -1.27 0.00 0.00 60.65 58.93 1r27 h LYS 827 Cb 0.82 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 32.57 1r27 h LYS 827 CO 0.05 0.88 -0.71 0.00 -2.27 0.00 0.00 179.45 177.40 1r27 h ALA 828 N 1.14 0.69 -0.18 5.00 0.00 -1.01 -1.64 119.26 123.26 1r27 h ALA 828 Ca 0.12 -0.61 -0.07 0.00 0.00 0.00 0.00 54.91 54.34 1r27 h ALA 828 Cb 0.62 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.33 1r27 h ALA 828 CO 0.04 0.79 -0.16 0.82 0.00 0.00 0.00 179.25 180.74 1r27 h ILE 829 N 0.19 1.33 -0.72 0.00 2.04 -1.11 -1.64 117.51 117.61 1r27 h ILE 829 Ca -0.02 -1.31 0.06 0.00 1.00 0.00 0.00 64.86 64.58 1r27 h ILE 829 Cb 1.27 1.79 -0.06 0.00 -0.74 0.00 0.00 36.82 39.09 1r27 h ILE 829 CO 0.11 0.39 0.42 0.00 0.00 0.00 0.00 178.15 179.07 1r27 h ALA 830 N 0.64 0.97 -0.11 1.87 0.00 -0.78 0.30 119.26 122.15 1r27 h ALA 830 Ca 0.03 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.95 1r27 h ALA 830 Cb 0.70 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.33 1r27 h ALA 830 CO 0.04 0.11 0.06 -0.22 0.00 0.00 0.00 179.25 179.24 1r27 h LYS 831 N 0.76 0.16 -0.57 0.00 3.64 -1.20 -1.26 116.57 118.10 1r27 h LYS 831 Ca 0.32 -0.02 -0.06 0.00 -1.27 0.00 0.00 60.65 59.62 1r27 h LYS 831 Cb 0.18 -0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 31.95 1r27 h LYS 831 CO -0.18 0.18 0.11 -0.22 -2.27 0.00 0.00 179.45 177.08 1r27 h LYS 832 N 0.09 0.94 -0.73 1.90 1.63 -0.75 -2.68 116.57 116.96 1r27 h LYS 832 Ca 0.04 -0.24 0.08 0.00 -0.85 0.00 0.00 60.65 59.68 1r27 h LYS 832 Cb 0.07 -0.12 -0.07 0.00 -0.60 0.00 0.00 32.23 31.52 1r27 h LYS 832 CO -0.01 0.88 0.40 0.35 -3.45 0.00 0.00 179.45 177.62 1r27 h PHE 833 N 0.84 0.72 0.00 1.91 3.57 -0.24 -1.08 116.94 122.66 1r27 h PHE 833 Ca 0.18 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.70 1r27 h PHE 833 Cb 0.38 -0.22 -0.00 0.00 2.79 0.00 0.00 35.95 38.91 1r27 h PHE 833 CO 0.03 0.31 -0.04 0.77 -2.23 0.00 0.00 178.31 177.15 1r27 h SER 834 N 0.70 0.00 0.04 0.41 0.02 -0.89 -0.75 113.55 113.09 1r27 h SER 834 Ca 0.34 0.00 -0.27 0.00 -0.84 0.00 0.00 61.79 61.02 1r27 h SER 834 Cb 0.29 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 62.80 1r27 h SER 834 CO -0.23 0.04 -1.49 -0.08 -1.14 0.00 0.00 176.83 173.93 1r27 h GLU 835 N 0.00 0.09 -0.09 3.45 4.81 -1.22 -3.39 114.58 118.23 1r27 h GLU 835 Ca -0.00 -0.15 -0.05 0.00 -0.13 0.00 0.00 59.36 59.03 1r27 h GLU 835 Cb 0.17 0.06 -0.01 0.00 0.63 0.00 0.00 28.75 29.60 1r27 h GLU 835 CO 0.01 1.07 -0.17 0.28 -0.73 0.00 0.00 179.01 179.46 1r27 h VAL 836 N -0.67 1.17 0.00 0.32 2.07 -1.03 -2.93 116.25 115.19 1r27 h VAL 836 Ca -0.37 -0.79 0.00 0.00 0.82 0.00 0.00 66.70 66.36 1r27 h VAL 836 Cb 1.54 1.30 0.00 0.00 -1.52 0.00 0.00 31.29 32.60 1r27 h VAL 836 CO -0.12 0.24 0.00 0.00 0.02 0.00 0.00 177.57 177.71 1r27 n VAL 838 N -3.08 0.27 -0.07 0.00 0.31 -1.11 -0.37 118.33 114.29 1r27 n VAL 838 Ca 0.02 -0.05 0.00 0.00 -0.01 0.00 0.00 64.34 64.30 1r27 n VAL 838 Cb 0.38 -1.67 0.00 0.00 -0.91 0.00 0.00 33.84 31.63 1r27 n VAL 838 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1r27 n GLY 839 N 3.86 0.93 0.01 2.92 0.00 -1.26 -4.80 105.19 106.84 1r27 n GLY 839 Ca 0.20 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.21 1r27 n GLY 839 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1r27 n HIS 840 N -2.00 0.00 -3.95 1.61 8.25 0.51 -5.04 115.22 114.60 1r27 n HIS 840 Ca 0.00 0.00 -0.15 0.00 -0.26 0.00 0.00 57.72 57.31 1r27 n HIS 840 Cb 0.00 -0.07 -0.15 0.00 1.12 0.00 0.00 29.99 30.89 1r27 n HIS 840 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 1r27 s LEU 841 N -5.03 1.54 0.00 2.41 1.43 -0.08 -4.97 118.68 113.98 1r27 s LEU 841 Ca -0.02 -0.03 0.00 0.00 -1.03 0.00 0.00 54.13 53.05 1r27 s LEU 841 Cb 0.01 -0.16 0.00 0.00 0.03 0.00 0.00 46.19 46.06 1r27 s LEU 841 CO 0.04 -0.04 0.00 0.61 0.23 0.00 0.00 176.35 177.19 1r27 n GLY 842 N 3.63 3.41 3.51 -3.19 0.00 -1.26 -4.38 105.19 106.90 1r27 n GLY 842 Ca -0.21 -0.33 -0.42 0.00 0.00 0.00 0.00 46.02 45.06 1r27 n GLY 842 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1r27 s LYS 843 N 3.96 3.34 0.33 1.61 1.02 -1.26 -2.38 119.74 126.36 1r27 s LYS 843 Ca 0.00 -0.89 0.05 0.00 0.02 0.00 0.00 55.97 55.15 1r27 s LYS 843 Cb 0.00 -4.61 -0.01 0.00 -0.52 0.00 0.00 37.83 32.68 1r27 s LYS 843 CO 0.00 -2.00 0.48 -1.21 -0.92 0.00 0.00 175.35 171.69 1r27 s GLU 844 N 4.54 3.19 -0.15 1.68 0.41 -0.04 -4.95 118.70 123.38 1r27 s GLU 844 Ca 0.34 -0.86 0.02 0.00 -0.41 0.00 0.00 54.97 54.05 1r27 s GLU 844 Cb -0.08 -2.79 0.01 0.00 -1.78 0.00 0.00 34.13 29.49 1r27 s GLU 844 CO 0.03 0.10 -0.21 0.99 -0.49 0.00 0.00 175.26 175.68 1r27 s THR 845 N -2.19 2.10 -0.06 3.63 2.01 -1.26 -1.54 115.64 118.34 1r27 s THR 845 Ca 0.43 -0.96 0.04 0.00 0.31 0.00 0.00 61.69 61.51 1r27 s THR 845 Cb -0.09 -1.85 -0.02 0.00 0.01 0.00 0.00 72.50 70.55 1r27 s THR 845 CO 0.32 0.55 -0.17 -0.62 -0.69 0.00 0.00 174.62 174.01 1r27 s ASP 846 N 0.88 3.80 -0.32 3.53 -1.08 0.26 -4.35 116.67 119.39 1r27 s ASP 846 Ca -0.05 -0.28 -0.12 0.00 -0.52 0.00 0.00 52.55 51.58 1r27 s ASP 846 Cb -0.15 -0.90 -0.02 0.00 -1.46 0.00 0.00 42.92 40.38 1r27 s ASP 846 CO -0.03 0.30 0.20 -0.63 0.52 0.00 0.00 175.17 175.53 1r27 s ILE 847 N -0.48 5.09 -0.11 4.11 -1.09 -1.12 -0.48 121.20 127.11 1r27 s ILE 847 Ca 0.06 -0.20 0.02 0.00 -2.23 0.00 0.00 60.65 58.30 1r27 s ILE 847 Cb -0.12 -3.57 -0.01 0.00 -1.58 0.00 0.00 42.46 37.19 1r27 s ILE 847 CO 0.01 0.07 -0.18 -0.69 -1.23 0.00 0.00 174.94 172.92 1r27 s VAL 848 N 1.70 2.59 0.20 2.92 1.01 -0.05 -4.82 120.40 123.95 1r27 s VAL 848 Ca 0.06 -0.83 -0.14 0.00 0.00 0.00 0.00 61.98 61.07 1r27 s VAL 848 Cb -0.17 -2.05 -0.07 0.00 0.00 0.00 0.00 36.38 34.09 1r27 s VAL 848 CO 0.09 0.54 0.59 0.42 0.00 0.00 0.00 175.10 176.74 1r27 s THR 849 N 0.29 4.83 -0.10 3.92 -4.23 -1.26 -0.62 115.64 118.48 1r27 s THR 849 Ca -0.13 0.79 -0.03 0.00 -1.18 0.00 0.00 61.69 61.13 1r27 s THR 849 Cb -0.17 -3.70 0.05 0.00 1.34 0.00 0.00 72.50 70.03 1r27 s THR 849 CO 0.07 0.10 0.13 -0.22 -0.54 0.00 0.00 174.62 174.16 1r27 s LEU 850 N -2.32 0.02 1.01 4.79 2.96 -0.31 -4.93 118.68 119.90 1r27 s LEU 850 Ca 0.43 0.09 -0.11 0.00 -0.22 0.00 0.00 54.13 54.32 1r27 s LEU 850 Cb -0.14 0.12 0.20 0.00 0.50 0.00 0.00 46.19 46.88 1r27 s LEU 850 CO 0.20 -0.27 1.08 -0.81 -1.32 0.00 0.00 176.35 175.23 1r27 n PRO 851 N 5.31 -1.20 -1.95 0.98 -0.04 -1.26 0.25 135.00 137.10 1r27 n PRO 851 Ca -0.05 -0.30 -0.42 0.00 -0.04 0.00 0.00 63.50 62.70 1r27 n PRO 851 Cb 0.50 -2.29 -0.03 0.00 -0.04 0.00 0.00 33.50 31.64 1r27 n PRO 851 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 1r27 s ILE 852 N -2.55 3.33 0.01 0.52 1.01 0.06 -4.70 121.20 118.90 1r27 s ILE 852 Ca 0.67 0.56 -0.19 0.00 0.00 0.00 0.00 60.65 61.69 1r27 s ILE 852 Cb -0.24 -3.36 -0.06 0.00 0.01 0.00 0.00 42.46 38.81 1r27 s ILE 852 CO 0.61 -0.03 0.56 -1.10 0.00 0.00 0.00 174.94 174.98 1r27 s GLN 853 N 3.56 4.24 0.61 2.79 -1.52 -1.26 -2.78 119.66 125.30 1r27 s GLN 853 Ca 0.75 0.69 -0.17 0.00 -1.95 0.00 0.00 55.36 54.68 1r27 s GLN 853 Cb -0.37 -3.30 -0.03 0.00 -0.22 0.00 0.00 33.01 29.10 1r27 s GLN 853 CO 0.32 0.48 1.13 -1.58 -0.25 0.00 0.00 175.29 175.38 1r27 s HIS 854 N -0.53 2.60 -1.22 0.91 5.65 0.53 -2.95 115.29 120.27 1r27 s HIS 854 Ca 0.29 1.55 0.00 0.00 0.25 0.00 0.00 55.06 57.15 1r27 s HIS 854 Cb -0.18 -3.26 0.00 0.00 -1.18 0.00 0.00 32.58 27.96 1r27 s HIS 854 CO 0.17 -1.72 0.00 -0.25 -0.65 0.00 0.00 174.74 172.29 1r27 n ASP 855 N -1.90 -4.30 -4.10 9.88 8.00 -1.26 -4.89 116.55 117.98 1r27 n ASP 855 Ca 0.11 0.06 -0.10 0.00 0.71 0.00 0.00 54.79 55.57 1r27 n ASP 855 Cb 0.51 -3.39 -0.10 0.00 -0.02 0.00 0.00 41.12 38.12 1r27 n ASP 855 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 1r27 s SER 856 N -2.48 0.79 0.47 -2.24 1.04 -1.15 -3.16 113.70 106.98 1r27 s SER 856 Ca 0.00 -0.83 0.18 0.00 0.48 0.00 0.00 55.95 55.79 1r27 s SER 856 Cb 0.00 0.11 1.18 0.00 0.10 0.00 0.00 66.02 67.41 1r27 s SER 856 CO 0.00 -0.41 1.99 0.00 0.98 0.00 0.00 173.24 175.79 1r27 h ALA 857 N 3.60 2.21 0.00 5.32 0.00 -1.95 -0.95 119.26 127.49 1r27 h ALA 857 Ca -0.35 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.55 1r27 h ALA 857 Cb 1.17 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.93 1r27 h ALA 857 CO 0.56 -0.35 0.00 0.00 0.00 0.00 0.00 179.25 179.46 1r27 h ALA 858 N 1.72 1.00 0.00 0.00 0.00 -1.89 -2.90 119.26 117.19 1r27 h ALA 858 Ca 0.27 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.18 1r27 h ALA 858 Cb 0.73 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.52 1r27 h ALA 858 CO -0.05 0.00 0.14 1.05 0.00 0.00 0.00 179.25 180.39 1r27 h GLU 859 N 0.00 0.00 -2.73 0.00 4.11 -1.25 -2.71 114.58 111.99 1r27 h GLU 859 Ca 0.00 0.00 -0.78 0.00 0.07 0.00 0.00 59.36 58.65 1r27 h GLU 859 Cb 0.17 0.00 -0.22 0.00 0.50 0.00 0.00 28.75 29.20 1r27 h GLU 859 CO 0.00 0.00 1.48 1.28 0.07 0.00 0.00 179.01 181.84 1r27 n LEU 860 N -2.29 7.17 -0.01 3.06 4.77 -1.10 -0.96 117.00 127.64 1r27 n LEU 860 Ca -0.01 -5.09 -0.00 0.00 -0.03 0.00 0.00 56.01 50.87 1r27 n LEU 860 Cb 0.18 -1.30 -0.00 0.00 -2.33 0.00 0.00 43.42 39.97 1r27 n LEU 860 CO 0.09 1.84 -0.03 0.00 -1.33 0.00 0.00 177.39 177.96 1r27 h ALA 861 N 4.89 0.00 -3.42 -1.18 0.00 -1.50 -3.45 119.26 114.60 1r27 h ALA 861 Ca 0.46 -0.12 -0.67 0.00 0.00 0.00 0.00 54.91 54.59 1r27 h ALA 861 Cb 0.45 0.05 -0.38 0.00 0.00 0.00 0.00 17.79 17.90 1r27 h ALA 861 CO 1.37 0.05 -0.61 -0.65 0.00 0.00 0.00 179.25 179.41 1r27 s GLN 862 N -1.21 1.85 0.07 0.00 -0.21 -1.07 -4.90 119.66 114.19 1r27 s GLN 862 Ca -0.01 -2.11 -0.23 0.00 0.02 0.00 0.00 55.36 53.02 1r27 s GLN 862 Cb 0.00 -3.39 -0.15 0.00 1.00 0.00 0.00 33.01 30.47 1r27 s GLN 862 CO 0.02 -1.04 1.61 -1.00 -2.12 0.00 0.00 175.29 172.76 1r27 h PRO 863 N 7.40 0.06 0.00 2.91 0.13 -1.87 -3.39 132.00 137.24 1r27 h PRO 863 Ca -0.07 -0.01 -0.35 0.00 -0.87 0.00 0.00 66.00 64.70 1r27 h PRO 863 Cb 0.99 -0.01 -0.07 0.00 0.13 0.00 0.00 31.00 32.04 1r27 h PRO 863 CO 0.63 0.18 -2.34 1.28 -0.23 0.00 0.00 178.00 177.52 1r27 n LEU 864 N -4.98 0.00 0.00 1.56 4.77 -1.26 -5.02 117.00 112.06 1r27 n LEU 864 Ca -0.07 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.91 1r27 n LEU 864 Cb 0.10 0.48 0.00 0.00 -2.33 0.00 0.00 43.42 41.67 1r27 n LEU 864 CO 0.34 0.48 0.00 -0.90 -1.33 0.00 0.00 177.39 175.97 1r27 n ASP 865 N -2.72 0.00 -4.43 -1.43 5.75 -1.26 -4.89 116.55 107.57 1r27 n ASP 865 Ca -0.32 -0.90 -0.35 0.00 -0.01 0.00 0.00 54.79 53.22 1r27 n ASP 865 Cb 1.13 0.00 -0.13 0.00 -1.03 0.00 0.00 41.12 41.10 1r27 n ASP 865 CO 0.00 0.00 0.00 -0.69 -0.11 0.00 0.00 177.20 176.40 1r27 s VAL 866 N -2.91 3.93 -0.08 2.12 1.01 -1.26 -4.81 120.40 118.40 1r27 s VAL 866 Ca 0.00 -0.32 0.04 0.00 0.00 0.00 0.00 61.98 61.70 1r27 s VAL 866 Cb 0.00 -2.79 0.00 0.00 0.00 0.00 0.00 36.38 33.59 1r27 s VAL 866 CO 0.00 0.41 -0.20 -0.54 0.00 0.00 0.00 175.10 174.77 1r27 s LYS 867 N 1.17 2.51 -0.37 2.72 1.02 -1.26 -5.11 119.74 120.42 1r27 s LYS 867 Ca 0.03 -0.74 -0.09 0.00 0.02 0.00 0.00 55.97 55.19 1r27 s LYS 867 Cb -0.14 -1.98 0.04 0.00 -0.52 0.00 0.00 37.83 35.23 1r27 s LYS 867 CO 0.01 0.17 0.18 0.34 -0.92 0.00 0.00 175.35 175.14 1r27 s ASP 868 N 0.32 5.57 0.45 2.83 -1.08 -1.26 -4.91 116.67 118.60 1r27 s ASP 868 Ca -0.14 -1.15 0.15 0.00 -0.52 0.00 0.00 52.55 50.89 1r27 s ASP 868 Cb -0.16 -1.96 1.08 0.00 -1.46 0.00 0.00 42.92 40.42 1r27 s ASP 868 CO 0.06 -0.40 2.00 4.11 0.52 0.00 0.00 175.17 181.46 1r27 h TRP 869 N 8.36 0.36 0.00 -5.34 5.08 -1.83 -0.37 115.95 122.20 1r27 h TRP 869 Ca -0.24 0.01 0.00 0.00 1.08 0.00 0.00 58.89 59.74 1r27 h TRP 869 Cb 1.09 -0.12 0.00 0.00 -3.00 0.00 0.00 29.16 27.14 1r27 h TRP 869 CO 0.59 0.17 0.00 -0.22 -1.28 0.00 0.00 178.44 177.70 1r27 h LYS 870 N 0.34 0.00 -0.63 0.12 3.64 -1.94 -1.11 116.57 116.98 1r27 h LYS 870 Ca 0.25 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.63 1r27 h LYS 870 Cb 0.55 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.37 1r27 h LYS 870 CO -0.06 0.00 0.00 1.63 -2.27 0.00 0.00 179.45 178.75 1r27 n LYS 871 N -2.54 3.81 -1.09 1.90 5.02 -0.17 -4.92 118.16 120.17 1r27 n LYS 871 Ca 0.02 -2.91 -0.03 0.00 -2.02 0.00 0.00 58.31 53.37 1r27 n LYS 871 Cb 0.27 -1.91 -0.01 0.00 -0.02 0.00 0.00 35.03 33.35 1r27 n LYS 871 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1r27 n GLY 872 N 1.05 0.42 0.00 0.72 0.00 -0.42 -4.86 105.19 102.10 1r27 n GLY 872 Ca 0.26 -0.06 0.14 0.00 0.00 0.00 0.00 46.02 46.35 1r27 n GLY 872 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1r27 n GLU 873 N -0.61 0.73 0.00 1.61 1.02 -1.05 -4.88 120.64 117.47 1r27 n GLU 873 Ca -0.03 0.01 0.00 0.00 -0.02 0.00 0.00 57.16 57.12 1r27 n GLU 873 Cb 0.39 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.31 1r27 n GLU 873 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1r27 s ASP 875 N 0.00 7.12 -0.49 0.00 2.15 -1.26 -4.30 116.67 119.88 1r27 s ASP 875 Ca 0.00 1.50 -0.28 0.00 0.43 0.00 0.00 52.55 54.21 1r27 s ASP 875 Cb 0.00 -2.45 -0.01 0.00 -0.30 0.00 0.00 42.92 40.16 1r27 s ASP 875 CO 0.00 0.01 1.72 -0.22 -0.17 0.00 0.00 175.17 176.51 1r27 s LEU 876 N -1.98 3.41 -0.31 -1.34 0.20 -1.26 -4.80 118.68 112.59 1r27 s LEU 876 Ca 0.44 0.70 -0.00 0.00 0.69 0.00 0.00 54.13 55.96 1r27 s LEU 876 Cb -0.17 -3.05 0.06 0.00 -0.43 0.00 0.00 46.19 42.61 1r27 s LEU 876 CO 0.22 -1.95 0.01 -0.63 -0.29 0.00 0.00 176.35 173.71 1r27 s ILE 877 N 7.47 2.81 0.06 6.68 1.01 -1.26 -4.99 121.20 132.97 1r27 s ILE 877 Ca 0.68 -1.61 -0.34 0.00 0.00 0.00 0.00 60.65 59.38 1r27 s ILE 877 Cb -0.16 -2.71 -0.13 0.00 0.01 0.00 0.00 42.46 39.48 1r27 s ILE 877 CO 0.27 -0.22 1.72 -2.65 0.00 0.00 0.00 174.94 174.06 1r27 n PRO 878 N 4.55 2.19 -0.34 2.79 -0.02 -1.26 -1.26 135.00 141.65 1r27 n PRO 878 Ca -0.10 0.80 0.00 0.00 -2.02 0.00 0.00 63.50 62.18 1r27 n PRO 878 Cb 0.43 -2.61 0.00 0.00 -0.02 0.00 0.00 33.50 31.30 1r27 n PRO 878 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1r27 n GLY 879 N 3.87 0.78 1.77 -1.23 0.00 0.19 -4.78 105.19 105.78 1r27 n GLY 879 Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.21 1r27 n GLY 879 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1r27 n LYS 880 N -2.00 0.00 -0.05 1.61 4.81 -0.39 -4.86 118.16 117.29 1r27 n LYS 880 Ca 0.00 0.00 0.02 0.00 -0.87 0.00 0.00 58.31 57.46 1r27 n LYS 880 Cb 0.00 -0.12 0.05 0.00 0.02 0.00 0.00 35.03 34.98 1r27 n LYS 880 CO 0.00 0.00 0.00 0.25 1.17 0.00 0.00 177.40 178.82 1r27 n THR 881 N -2.94 0.68 -3.62 3.15 -2.24 -0.49 -4.48 114.28 104.36 1r27 n THR 881 Ca 0.00 -0.84 -0.09 0.00 -2.27 0.00 0.00 64.05 60.85 1r27 n THR 881 Cb 0.08 0.69 -0.02 0.00 -2.10 0.00 0.00 70.33 68.97 1r27 n THR 881 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1r27 s ALA 882 N -0.80 -1.48 0.80 6.98 0.00 -1.05 -4.33 121.76 121.88 1r27 s ALA 882 Ca 0.08 0.21 -0.12 0.00 0.00 0.00 0.00 51.96 52.13 1r27 s ALA 882 Cb 0.04 0.82 0.08 0.00 0.00 0.00 0.00 23.12 24.06 1r27 s ALA 882 CO 0.06 -0.88 1.14 -1.25 0.00 0.00 0.00 175.76 174.83 1r27 s PRO 883 N -3.72 1.83 0.62 0.00 0.04 -1.26 0.52 135.00 133.03 1r27 s PRO 883 Ca 0.06 1.46 -0.17 0.00 0.04 0.00 0.00 61.00 62.39 1r27 s PRO 883 Cb -0.03 -1.83 -0.02 0.00 0.04 0.00 0.00 34.50 32.66 1r27 s PRO 883 CO -0.04 -2.01 1.15 -1.01 0.04 0.00 0.00 177.00 175.13 1r27 s HIS 884 N -2.55 2.52 -0.28 0.56 3.76 0.14 -3.28 115.29 116.16 1r27 s HIS 884 Ca 0.67 1.55 0.02 0.00 -0.15 0.00 0.00 55.06 57.14 1r27 s HIS 884 Cb -0.22 -3.31 0.08 0.00 1.11 0.00 0.00 32.58 30.24 1r27 s HIS 884 CO 0.53 -1.87 -0.02 0.42 -0.85 0.00 0.00 174.74 172.95 1r27 s ILE 885 N -1.96 1.77 0.21 0.60 1.01 -1.26 -1.16 121.20 120.40 1r27 s ILE 885 Ca 0.72 -1.63 0.06 0.00 0.00 0.00 0.00 60.65 59.80 1r27 s ILE 885 Cb -0.25 -2.11 -0.04 0.00 0.01 0.00 0.00 42.46 40.07 1r27 s ILE 885 CO 0.35 -0.30 0.17 -0.04 0.00 0.00 0.00 174.94 175.12 1r27 s MET 886 N 1.23 2.93 -0.20 2.79 -1.94 0.21 -4.89 119.30 119.43 1r27 s MET 886 Ca 0.00 -0.95 -0.04 0.00 -1.71 0.00 0.00 55.69 53.00 1r27 s MET 886 Cb -0.19 -2.61 -0.01 0.00 2.01 0.00 0.00 34.83 34.02 1r27 s MET 886 CO -0.09 0.44 -0.05 0.08 -0.01 0.00 0.00 175.02 175.40 1r27 s VAL 887 N -1.93 3.46 -0.14 -6.03 1.01 -1.26 -0.88 120.40 114.64 1r27 s VAL 887 Ca 0.32 -0.48 0.02 0.00 0.00 0.00 0.00 61.98 61.85 1r27 s VAL 887 Cb -0.09 -2.55 0.01 0.00 0.00 0.00 0.00 36.38 33.75 1r27 s VAL 887 CO 0.24 0.44 -0.21 -0.69 0.00 0.00 0.00 175.10 174.88 1r27 s VAL 888 N 1.19 2.00 -0.18 2.92 1.01 0.37 -4.96 120.40 122.75 1r27 s VAL 888 Ca 0.02 -0.94 -0.21 0.00 0.00 0.00 0.00 61.98 60.85 1r27 s VAL 888 Cb -0.14 -1.77 -0.03 0.00 0.00 0.00 0.00 36.38 34.44 1r27 s VAL 888 CO -0.01 0.54 0.61 -1.61 0.00 0.00 0.00 175.10 174.63 1r27 s GLU 889 N 0.82 4.23 -0.09 2.72 0.41 -1.26 -0.57 118.70 124.96 1r27 s GLU 889 Ca -0.07 0.60 0.03 0.00 -0.41 0.00 0.00 54.97 55.12 1r27 s GLU 889 Cb -0.16 -3.56 -0.01 0.00 -1.78 0.00 0.00 34.13 28.62 1r27 s GLU 889 CO -0.02 -0.19 -0.19 1.03 -0.49 0.00 0.00 175.26 175.41 1r27 s ARG 890 N 1.74 2.95 -0.92 1.61 0.52 -0.59 -4.98 118.95 119.28 1r27 s ARG 890 Ca 0.29 -0.79 -0.02 0.00 -0.52 0.00 0.00 55.73 54.69 1r27 s ARG 890 Cb -0.16 -2.40 0.24 0.00 0.52 0.00 0.00 34.95 33.15 1r27 s ARG 890 CO 0.11 0.32 0.87 -3.47 0.02 0.00 0.00 175.30 173.15 1r27 n ASP 891 N 3.18 4.48 -0.27 0.23 -0.08 -1.26 -0.86 116.55 121.97 1r27 n ASP 891 Ca -0.18 -3.16 0.08 0.00 -1.51 0.00 0.00 54.79 50.01 1r27 n ASP 891 Cb 0.52 -1.08 0.21 0.00 2.34 0.00 0.00 41.12 43.12 1r27 n ASP 891 CO 0.00 0.00 0.00 1.88 0.12 0.00 0.00 177.20 179.20 1r27 h TYR 892 N 5.89 0.23 0.00 -0.67 -1.99 -1.78 0.21 116.97 118.86 1r27 h TYR 892 Ca 0.17 0.05 0.00 0.00 2.00 0.00 0.00 58.73 60.95 1r27 h TYR 892 Cb 0.79 0.02 0.00 0.00 2.00 0.00 0.00 36.73 39.54 1r27 h TYR 892 CO 0.74 -0.15 0.00 -1.35 -0.00 0.00 0.00 178.16 177.40 1r27 h PRO 893 N 0.22 0.00 -0.30 4.88 0.11 -1.78 -1.84 132.00 133.29 1r27 h PRO 893 Ca 0.46 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.57 1r27 h PRO 893 Cb 0.83 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.94 1r27 h PRO 893 CO -0.59 0.00 0.00 0.00 -0.21 0.00 0.00 178.00 177.20 1r27 n ALA 894 N -1.97 2.47 -0.21 -0.75 0.00 0.71 -4.57 120.51 116.19 1r27 n ALA 894 Ca -0.01 -0.76 0.00 0.00 0.00 0.00 0.00 53.44 52.68 1r27 n ALA 894 Cb 0.14 -0.98 0.09 0.00 0.00 0.00 0.00 19.45 18.70 1r27 n ALA 894 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 1r27 h THR 895 N 3.24 0.43 -0.36 0.00 2.02 -1.24 -0.83 112.91 116.17 1r27 h THR 895 Ca 0.00 -0.02 -0.02 0.00 0.77 0.00 0.00 66.41 67.14 1r27 h THR 895 Cb 0.71 0.36 -0.02 0.00 -1.74 0.00 0.00 68.15 67.47 1r27 h THR 895 CO 0.00 0.01 0.15 0.22 0.37 0.00 0.00 175.52 176.27 1r27 h TYR 896 N 0.06 0.54 -0.22 3.16 3.20 -1.81 -0.58 116.97 121.32 1r27 h TYR 896 Ca 0.32 -0.04 -0.04 0.00 3.14 0.00 0.00 58.73 62.11 1r27 h TYR 896 Cb 0.51 -0.16 -0.01 0.00 1.54 0.00 0.00 36.73 38.60 1r27 h TYR 896 CO -0.43 0.49 -0.05 0.93 -1.64 0.00 0.00 178.16 177.46 1r27 h GLU 897 N 0.44 0.34 0.04 1.82 4.39 -1.69 -1.68 114.58 118.23 1r27 h GLU 897 Ca 0.12 -0.07 -0.25 0.00 0.34 0.00 0.00 59.36 59.50 1r27 h GLU 897 Cb 0.17 -0.05 0.01 0.00 -0.10 0.00 0.00 28.75 28.78 1r27 h GLU 897 CO -0.01 0.41 -1.06 0.00 -1.16 0.00 0.00 179.01 177.19 1r27 h ARG 898 N 0.33 0.46 -0.82 2.33 3.08 -0.97 -3.15 114.38 115.65 1r27 h ARG 898 Ca 0.07 -0.56 -0.01 0.00 0.07 0.00 0.00 59.98 59.55 1r27 h ARG 898 Cb 0.30 0.17 -0.04 0.00 0.08 0.00 0.00 29.97 30.48 1r27 h ARG 898 CO 0.01 1.20 0.45 0.35 -1.07 0.00 0.00 179.97 180.92 1r27 h PHE 899 N 0.23 1.12 -0.51 3.04 3.57 -0.78 -2.90 116.94 120.71 1r27 h PHE 899 Ca -0.11 -0.03 -0.17 0.00 3.53 0.00 0.00 57.97 61.19 1r27 h PHE 899 Cb 1.72 -0.36 -0.10 0.00 2.79 0.00 0.00 35.95 40.00 1r27 h PHE 899 CO 0.08 0.78 0.22 0.25 -2.23 0.00 0.00 178.31 177.40 1r27 n THR 900 N -4.41 2.13 -3.70 4.41 -2.24 -0.66 -4.83 114.28 104.98 1r27 n THR 900 Ca 0.08 -1.08 -0.14 0.00 -2.27 0.00 0.00 64.05 60.63 1r27 n THR 900 Cb 0.09 -0.51 -0.08 0.00 -2.10 0.00 0.00 70.33 67.73 1r27 n THR 900 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1r27 s SER 901 N -0.50 -0.32 -0.33 3.42 1.04 -1.09 -0.94 113.70 114.97 1r27 s SER 901 Ca 0.36 0.28 -0.27 0.00 0.48 0.00 0.00 55.95 56.80 1r27 s SER 901 Cb 0.29 0.40 0.01 0.00 0.10 0.00 0.00 66.02 66.82 1r27 s SER 901 CO 0.09 -0.48 0.99 -0.63 0.98 0.00 0.00 173.24 174.19 1r27 s ILE 902 N -1.22 4.58 1.04 -1.02 1.01 -0.40 -4.84 121.20 120.34 1r27 s ILE 902 Ca -0.12 1.51 -0.12 0.00 0.00 0.00 0.00 60.65 61.92 1r27 s ILE 902 Cb -0.04 -4.35 0.22 0.00 0.01 0.00 0.00 42.46 38.30 1r27 s ILE 902 CO 0.06 -0.45 1.08 -0.83 0.00 0.00 0.00 174.94 174.80 1r27 s GLY 903 N 1.70 1.61 0.14 6.18 0.00 -1.25 -4.33 107.32 111.38 1r27 s GLY 903 Ca 0.41 0.19 0.22 0.00 0.00 0.00 0.00 44.72 45.54 1r27 s GLY 903 CO 0.16 0.77 1.68 -1.55 0.00 0.00 0.00 173.10 174.16 1r27 n PRO 904 N -4.57 0.13 0.24 2.90 -0.04 -1.07 -3.71 135.00 128.88 1r27 n PRO 904 Ca 0.07 0.28 0.11 0.00 -0.04 0.00 0.00 63.50 63.92 1r27 n PRO 904 Cb 0.53 -1.71 0.56 0.00 -0.04 0.00 0.00 33.50 32.85 1r27 n PRO 904 CO 0.00 0.00 0.00 -0.07 -0.04 0.00 0.00 175.50 175.39 1r27 h LEU 905 N 0.00 0.00 -0.99 1.53 3.38 -1.53 -1.05 115.31 116.66 1r27 h LEU 905 Ca 0.00 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.92 1r27 h LEU 905 Cb 0.42 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.14 1r27 h LEU 905 CO 0.00 0.19 0.13 0.24 0.09 0.00 0.00 178.44 179.09 1r27 h MET 906 N 0.00 0.86 0.06 1.13 2.86 -1.73 0.27 114.93 118.38 1r27 h MET 906 Ca -0.00 -0.18 -0.28 0.00 -2.06 0.00 0.00 59.70 57.17 1r27 h MET 906 Cb 0.59 -0.13 -0.02 0.00 0.06 0.00 0.00 31.60 32.10 1r27 h MET 906 CO 0.02 0.78 -1.50 0.93 1.06 0.00 0.00 176.91 178.21 1r27 h GLU 907 N 0.83 0.12 0.10 1.72 5.08 -1.74 -2.70 114.58 118.00 1r27 h GLU 907 Ca 0.18 -0.21 -0.27 0.00 -1.00 0.00 0.00 59.36 58.05 1r27 h GLU 907 Cb 0.31 0.08 0.03 0.00 0.50 0.00 0.00 28.75 29.67 1r27 h GLU 907 CO -0.00 0.92 -1.13 -0.22 -1.00 0.00 0.00 179.01 177.57 1r27 h LYS 908 N 0.03 0.58 0.00 2.33 3.64 -1.03 -3.42 116.57 118.71 1r27 h LYS 908 Ca -0.22 -0.77 -0.21 0.00 -1.27 0.00 0.00 60.65 58.19 1r27 h LYS 908 Cb 1.96 0.25 -0.03 0.00 -0.41 0.00 0.00 32.23 34.00 1r27 h LYS 908 CO 0.13 1.34 -1.72 -0.89 -2.27 0.00 0.00 179.45 176.03 1r27 n ILE 909 N -3.87 0.72 0.00 2.00 5.41 0.90 -5.06 119.36 119.45 1r27 n ILE 909 Ca -0.13 -0.21 0.00 0.00 1.00 0.00 0.00 62.75 63.41 1r27 n ILE 909 Cb 0.94 -1.46 0.00 0.00 -0.71 0.00 0.00 39.64 38.40 1r27 n ILE 909 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1r27 n GLY 910 N 2.39 0.60 3.20 7.39 0.00 -0.92 -4.94 105.19 112.91 1r27 n GLY 910 Ca -0.25 -2.24 -0.12 0.00 0.00 0.00 0.00 46.02 43.42 1r27 n GLY 910 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1r27 s ASN 911 N -4.00 0.55 0.00 1.61 3.04 -0.98 -4.49 114.94 110.66 1r27 s ASN 911 Ca 0.00 -1.26 0.00 0.00 0.04 0.00 0.00 52.86 51.64 1r27 s ASN 911 Cb 0.00 0.27 0.00 0.00 -1.54 0.00 0.00 41.25 39.98 1r27 s ASN 911 CO 0.00 -0.72 0.00 0.61 -3.04 0.00 0.00 177.10 173.95 1r27 n GLY 912 N -0.21 -0.41 3.64 1.21 0.00 -1.26 -1.10 105.19 107.07 1r27 n GLY 912 Ca -0.03 -1.18 -0.02 0.00 0.00 0.00 0.00 46.02 44.78 1r27 n GLY 912 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1r27 s GLY 913 N 0.00 -0.17 -1.42 -0.02 0.00 -0.52 -4.90 107.32 100.29 1r27 s GLY 913 Ca 0.00 2.00 -0.11 0.00 0.00 0.00 0.00 44.72 46.60 1r27 s GLY 913 CO 0.00 0.68 0.65 0.28 0.00 0.00 0.00 173.10 174.71 1r27 n LYS 914 N 0.04 -3.90 0.00 2.90 5.02 -1.26 -2.53 118.16 118.43 1r27 n LYS 914 Ca 0.05 0.51 0.00 0.00 -2.02 0.00 0.00 58.31 56.85 1r27 n LYS 914 Cb 0.57 -5.27 0.00 0.00 -0.02 0.00 0.00 35.03 30.30 1r27 n LYS 914 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1r27 n GLY 915 N -1.33 3.34 3.70 0.72 0.00 -1.19 -4.96 105.19 105.48 1r27 n GLY 915 Ca 0.01 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.80 1r27 n GLY 915 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1r27 s ILE 916 N -2.92 3.24 0.06 -0.61 -4.36 -1.05 -4.99 121.20 110.58 1r27 s ILE 916 Ca 0.00 -1.76 -0.05 0.00 -0.26 0.00 0.00 60.65 58.58 1r27 s ILE 916 Cb 0.00 -2.95 -0.02 0.00 1.25 0.00 0.00 42.46 40.74 1r27 s ILE 916 CO 0.00 -0.26 0.09 0.00 0.24 0.00 0.00 174.94 175.01 1r27 s ALA 917 N -2.38 0.08 0.21 2.27 0.00 -1.26 -1.44 121.76 119.24 1r27 s ALA 917 Ca 0.35 -0.81 -0.16 0.00 0.00 0.00 0.00 51.96 51.33 1r27 s ALA 917 Cb -0.04 0.35 0.02 0.00 0.00 0.00 0.00 23.12 23.45 1r27 s ALA 917 CO 0.22 -0.41 0.52 1.67 0.00 0.00 0.00 175.76 177.75 1r27 s TRP 918 N -3.57 0.00 0.15 0.00 -2.14 -0.26 -4.79 118.94 108.33 1r27 s TRP 918 Ca 0.03 -0.36 -0.25 0.00 2.66 0.00 0.00 56.10 58.17 1r27 s TRP 918 Cb 0.05 0.36 -0.08 0.00 -3.10 0.00 0.00 33.47 30.70 1r27 s TRP 918 CO -0.09 -0.95 0.78 1.21 -2.66 0.00 0.00 176.95 175.24 1r27 s ASN 919 N -2.91 7.37 -0.07 -2.66 3.84 -1.26 -2.33 114.94 116.91 1r27 s ASN 919 Ca 0.12 1.63 0.16 0.00 0.21 0.00 0.00 52.86 54.98 1r27 s ASN 919 Cb -0.01 -2.50 0.33 0.00 -0.55 0.00 0.00 41.25 38.52 1r27 s ASN 919 CO 0.01 0.17 1.15 1.07 -2.79 0.00 0.00 177.10 176.71 1r27 n THR 920 N 1.82 0.85 -0.36 -5.21 5.66 -1.26 -4.86 114.28 110.91 1r27 n THR 920 Ca -0.05 -1.60 0.02 0.00 -3.05 0.00 0.00 64.05 59.37 1r27 n THR 920 Cb 0.49 0.41 0.16 0.00 -1.55 0.00 0.00 70.33 69.84 1r27 n THR 920 CO 0.00 0.00 0.00 -0.61 -3.05 0.00 0.00 175.07 171.41 1r27 h GLN 921 N 0.70 1.12 -0.02 1.09 5.75 -1.92 -1.85 115.11 119.99 1r27 h GLN 921 Ca -0.10 -0.07 -0.06 0.00 -0.15 0.00 0.00 58.65 58.27 1r27 h GLN 921 Cb 1.45 -0.25 -0.01 0.00 1.07 0.00 0.00 27.48 29.74 1r27 h GLN 921 CO 0.04 0.74 -0.30 0.66 -2.65 0.00 0.00 178.83 177.33 1r27 h SER 922 N 1.16 0.03 -0.08 -0.69 4.64 -2.00 -1.36 113.55 115.26 1r27 h SER 922 Ca 0.42 -0.01 -0.16 0.00 -0.47 0.00 0.00 61.79 61.57 1r27 h SER 922 Cb 0.14 -0.01 -0.01 0.00 -0.31 0.00 0.00 62.40 62.22 1r27 h SER 922 CO -0.17 0.33 -0.51 -0.33 -0.87 0.00 0.00 176.83 175.28 1r27 h GLU 923 N 0.03 0.65 -0.12 4.77 3.07 -1.70 -2.01 114.58 119.27 1r27 h GLU 923 Ca 0.00 -0.39 -0.11 0.00 -0.50 0.00 0.00 59.36 58.36 1r27 h GLU 923 Cb 0.54 0.04 -0.01 0.00 -0.84 0.00 0.00 28.75 28.47 1r27 h GLU 923 CO 0.04 1.00 -0.42 0.52 -1.40 0.00 0.00 179.01 178.76 1r27 h MET 924 N 0.51 0.27 -0.55 2.33 2.86 -1.08 -0.67 114.93 118.60 1r27 h MET 924 Ca 0.02 -0.13 -0.05 0.00 -2.06 0.00 0.00 59.70 57.48 1r27 h MET 924 Cb 1.06 -0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.70 1r27 h MET 924 CO 0.10 0.64 0.13 -0.44 1.06 0.00 0.00 176.91 178.41 1r27 h ASP 925 N 0.22 0.83 -0.40 1.22 3.32 -1.03 -2.14 116.42 118.43 1r27 h ASP 925 Ca 0.02 -0.23 -0.12 0.00 0.02 0.00 0.00 57.03 56.72 1r27 h ASP 925 Cb 0.83 -0.22 -0.02 0.00 0.22 0.00 0.00 39.33 40.15 1r27 h ASP 925 CO 0.07 0.85 -0.18 0.25 -1.72 0.00 0.00 179.24 178.51 1r27 h LEU 926 N 0.77 0.90 -1.23 1.55 5.85 -1.03 -3.05 115.31 119.08 1r27 h LEU 926 Ca 0.17 -0.31 -0.05 0.00 0.84 0.00 0.00 57.88 58.52 1r27 h LEU 926 Cb 0.34 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 41.11 1r27 h LEU 926 CO 0.00 1.06 -0.04 -0.07 -0.34 0.00 0.00 178.44 179.06 1r27 h LEU 927 N 0.78 0.46 -1.60 2.25 3.38 -0.88 -1.36 115.31 118.33 1r27 h LEU 927 Ca 0.11 -0.09 -0.01 0.00 0.09 0.00 0.00 57.88 57.98 1r27 h LEU 927 Cb 0.72 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.33 1r27 h LEU 927 CO 0.05 0.55 0.09 0.03 0.09 0.00 0.00 178.44 179.26 1r27 h ARG 928 N 0.46 0.35 0.13 1.13 3.08 -1.28 -0.10 114.38 118.15 1r27 h ARG 928 Ca 0.10 -0.04 -0.29 0.00 0.07 0.00 0.00 59.98 59.82 1r27 h ARG 928 Cb 0.36 -0.07 0.00 0.00 0.08 0.00 0.00 29.97 30.34 1r27 h ARG 928 CO 0.01 0.30 -1.39 0.87 -1.07 0.00 0.00 179.97 178.69 1r27 h LYS 929 N 0.35 0.28 0.13 0.04 1.57 -1.37 -1.65 116.57 115.91 1r27 h LYS 929 Ca 0.09 -0.48 -0.25 0.00 -1.87 0.00 0.00 60.65 58.14 1r27 h LYS 929 Cb 0.09 0.18 0.03 0.00 0.08 0.00 0.00 32.23 32.61 1r27 h LYS 929 CO -0.01 1.19 -1.05 -0.07 -0.57 0.00 0.00 179.45 178.94 1r27 h LEU 930 N 0.08 0.71 -0.33 2.94 3.38 -1.07 -3.37 115.31 117.65 1r27 h LEU 930 Ca -0.19 -0.86 0.00 0.00 0.09 0.00 0.00 57.88 56.91 1r27 h LEU 930 Cb 2.01 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 42.53 1r27 h LEU 930 CO 0.19 1.50 -0.72 0.59 0.09 0.00 0.00 178.44 180.09 1r27 n ASN 931 N -3.95 1.23 -0.50 -0.43 4.13 -0.07 -5.09 115.26 110.58 1r27 n ASN 931 Ca -0.14 -1.04 0.07 0.00 1.68 0.00 0.00 54.58 55.15 1r27 n ASN 931 Cb 0.90 0.67 -0.02 0.00 -1.54 0.00 0.00 39.78 39.79 1r27 n ASN 931 CO 0.00 0.00 0.00 -1.22 0.28 0.00 0.00 177.26 176.32 1r27 n TYR 932 N -1.00 -1.28 -4.30 3.10 4.01 -0.62 -4.14 117.16 112.93 1r27 n TYR 932 Ca 0.06 0.66 -0.17 0.00 -0.16 0.00 0.00 57.90 58.29 1r27 n TYR 932 Cb 0.37 -1.17 -0.10 0.00 -0.31 0.00 0.00 39.34 38.13 1r27 n TYR 932 CO 0.00 0.00 0.00 0.95 -0.46 0.00 0.00 176.86 177.35 1r27 s THR 933 N -2.07 1.50 0.21 -0.72 -4.23 -1.26 -1.28 115.64 107.79 1r27 s THR 933 Ca 0.00 -2.09 -0.31 0.00 -1.18 0.00 0.00 61.69 58.10 1r27 s THR 933 Cb 0.00 -1.91 -0.11 0.00 1.34 0.00 0.00 72.50 71.82 1r27 s THR 933 CO 0.00 -0.62 1.61 -0.54 -0.54 0.00 0.00 174.62 174.53 1r27 s LYS 934 N -3.53 4.18 0.18 3.99 -0.14 -0.56 -4.85 119.74 119.00 1r27 s LYS 934 Ca 0.19 2.47 0.12 0.00 -1.36 0.00 0.00 55.97 57.39 1r27 s LYS 934 Cb -0.00 -3.10 -0.08 0.00 -1.68 0.00 0.00 37.83 32.97 1r27 s LYS 934 CO 0.04 -0.63 1.26 0.00 -0.76 0.00 0.00 175.35 175.26 1r27 h ALA 935 N 6.22 0.56 -3.02 5.17 0.00 -1.92 -0.71 119.26 125.57 1r27 h ALA 935 Ca -0.44 -0.73 -0.08 0.00 0.00 0.00 0.00 54.91 53.66 1r27 h ALA 935 Cb 1.21 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.96 1r27 h ALA 935 CO 0.89 0.95 0.12 -0.85 0.00 0.00 0.00 179.25 180.35 1r27 n GLU 936 N -3.22 0.76 0.00 0.00 0.28 -1.26 -4.81 120.64 112.39 1r27 n GLU 936 Ca -0.01 -1.81 0.00 0.00 -0.16 0.00 0.00 57.16 55.18 1r27 n GLU 936 Cb 0.84 2.08 0.00 0.00 1.43 0.00 0.00 31.44 35.79 1r27 n GLU 936 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1r27 n GLY 937 N -0.41 -2.73 0.21 -1.84 0.00 -1.26 -3.73 105.19 95.43 1r27 n GLY 937 Ca -0.05 -1.77 0.15 0.00 0.00 0.00 0.00 46.02 44.35 1r27 n GLY 937 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1r27 h PRO 938 N 0.00 0.00 -0.19 1.61 0.13 -1.98 -2.08 132.00 129.49 1r27 h PRO 938 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 1r27 h PRO 938 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 1r27 h PRO 938 CO 0.00 0.00 0.00 0.00 -0.23 0.00 0.00 178.00 177.77 1r27 n ALA 939 N -1.87 2.60 -1.58 -0.56 0.00 -1.26 -5.05 120.51 112.78 1r27 n ALA 939 Ca -0.01 -2.09 -0.51 0.00 0.00 0.00 0.00 53.44 50.83 1r27 n ALA 939 Cb 0.07 -0.53 -0.05 0.00 0.00 0.00 0.00 19.45 18.95 1r27 n ALA 939 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 1r27 n LYS 940 N -0.58 1.14 0.00 0.00 4.81 -0.78 -1.62 118.16 121.12 1r27 n LYS 940 Ca 0.17 0.41 0.00 0.00 -0.87 0.00 0.00 58.31 58.01 1r27 n LYS 940 Cb 0.70 -1.99 0.00 0.00 0.02 0.00 0.00 35.03 33.76 1r27 n LYS 940 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1r27 n GLY 941 N 2.30 2.29 3.85 3.14 0.00 -0.27 -4.94 105.19 111.56 1r27 n GLY 941 Ca 0.17 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.87 1r27 n GLY 941 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1r27 s GLN 942 N -0.55 3.98 0.60 1.61 -1.52 -0.64 -4.73 119.66 118.41 1r27 s GLN 942 Ca 0.00 0.65 -0.19 0.00 -1.95 0.00 0.00 55.36 53.86 1r27 s GLN 942 Cb 0.00 -2.43 -0.04 0.00 -0.22 0.00 0.00 33.01 30.32 1r27 s GLN 942 CO 0.00 0.15 1.22 -2.30 -0.25 0.00 0.00 175.29 174.11 1r27 n PRO 943 N -0.41 1.25 -3.53 2.91 -0.02 -1.26 -1.49 135.00 132.44 1r27 n PRO 943 Ca 0.03 0.47 -0.28 0.00 -2.02 0.00 0.00 63.50 61.71 1r27 n PRO 943 Cb 0.53 -2.44 -0.03 0.00 -0.02 0.00 0.00 33.50 31.54 1r27 n PRO 943 CO 0.00 0.00 0.00 -1.64 1.98 0.00 0.00 175.50 175.84 1r27 s MET 944 N -3.01 3.58 -0.51 -0.52 -1.94 -0.40 -1.28 119.30 115.21 1r27 s MET 944 Ca 0.77 -0.17 0.07 0.00 -1.71 0.00 0.00 55.69 54.64 1r27 s MET 944 Cb -0.41 -2.75 0.24 0.00 2.01 0.00 0.00 34.83 33.92 1r27 s MET 944 CO 0.45 0.32 0.59 1.28 -0.01 0.00 0.00 175.02 177.65 1r27 n LEU 945 N -0.77 1.69 -0.08 -0.03 4.77 -0.12 -4.77 117.00 117.69 1r27 n LEU 945 Ca -0.03 -4.99 -0.21 0.00 -0.03 0.00 0.00 56.01 50.75 1r27 n LEU 945 Cb 0.54 0.03 -0.12 0.00 -2.33 0.00 0.00 43.42 41.54 1r27 n LEU 945 CO 0.48 2.03 -0.38 0.78 -1.33 0.00 0.00 177.39 178.97 1r27 h ASN 946 N 4.30 0.05 -1.86 -1.43 -0.26 -1.94 -3.39 115.58 111.06 1r27 h ASN 946 Ca 0.14 -0.64 -0.50 0.00 -0.56 0.00 0.00 56.30 54.74 1r27 h ASN 946 Cb 0.79 -0.02 -0.04 0.00 -1.06 0.00 0.00 38.32 37.99 1r27 h ASN 946 CO 0.62 1.44 -0.46 0.42 -1.06 0.00 0.00 177.43 178.38 1r27 s THR 947 N -2.36 3.48 0.47 2.81 -4.23 -1.26 -5.00 115.64 109.56 1r27 s THR 947 Ca -0.26 -1.42 0.15 0.00 -1.18 0.00 0.00 61.69 58.98 1r27 s THR 947 Cb 0.04 -3.16 0.22 0.00 1.34 0.00 0.00 72.50 70.94 1r27 s THR 947 CO 0.63 -0.18 2.06 0.00 -0.54 0.00 0.00 174.62 176.59 1r27 h ALA 948 N 1.29 1.81 -0.29 3.99 0.00 -1.94 -0.86 119.26 123.26 1r27 h ALA 948 Ca -0.45 -0.10 -0.14 0.00 0.00 0.00 0.00 54.91 54.22 1r27 h ALA 948 Cb 1.25 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 19.01 1r27 h ALA 948 CO 0.59 0.14 -0.40 0.82 0.00 0.00 0.00 179.25 180.40 1r27 h ILE 949 N 0.03 1.29 -0.83 0.00 2.04 -1.95 0.08 117.51 118.17 1r27 h ILE 949 Ca 0.01 -1.57 0.03 0.00 1.00 0.00 0.00 64.86 64.32 1r27 h ILE 949 Cb 0.18 1.49 -0.05 0.00 -0.74 0.00 0.00 36.82 37.71 1r27 h ILE 949 CO 0.01 0.51 0.54 0.44 0.00 0.00 0.00 178.15 179.65 1r27 h ASP 950 N 0.58 0.90 -0.48 1.72 3.32 -1.53 -0.98 116.42 119.95 1r27 h ASP 950 Ca 0.05 -0.01 -0.12 0.00 0.02 0.00 0.00 57.03 56.97 1r27 h ASP 950 Cb 0.94 -0.21 -0.02 0.00 0.22 0.00 0.00 39.33 40.27 1r27 h ASP 950 CO 0.09 0.63 -0.17 0.00 -1.72 0.00 0.00 179.24 178.07 1r27 h ALA 951 N 1.34 0.76 -0.66 3.45 0.00 -1.08 -2.48 119.26 120.59 1r27 h ALA 951 Ca 0.32 -0.37 -0.03 0.00 0.00 0.00 0.00 54.91 54.83 1r27 h ALA 951 Cb -0.03 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.55 1r27 h ALA 951 CO -0.10 0.67 0.30 0.00 0.00 0.00 0.00 179.25 180.11 1r27 h ALA 952 N 0.94 0.86 0.00 0.00 0.00 -0.42 -2.45 119.26 118.18 1r27 h ALA 952 Ca 0.12 -0.15 -0.07 0.00 0.00 0.00 0.00 54.91 54.81 1r27 h ALA 952 Cb 0.73 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 1r27 h ALA 952 CO 0.06 0.44 -0.31 0.93 0.00 0.00 0.00 179.25 180.37 1r27 h GLU 953 N 0.93 0.00 -0.24 0.00 4.39 -1.04 -1.42 114.58 117.20 1r27 h GLU 953 Ca 0.23 0.00 -0.03 0.00 0.34 0.00 0.00 59.36 59.89 1r27 h GLU 953 Cb 0.15 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.79 1r27 h GLU 953 CO -0.02 0.31 0.01 1.98 -1.16 0.00 0.00 179.01 180.13 1r27 h MET 954 N 0.00 0.41 -0.08 2.33 4.05 -1.02 -0.69 114.93 119.93 1r27 h MET 954 Ca -0.00 -0.12 0.00 0.00 -0.28 0.00 0.00 59.70 59.30 1r27 h MET 954 Cb 0.58 -0.04 -0.00 0.00 -0.80 0.00 0.00 31.60 31.33 1r27 h MET 954 CO 0.04 0.57 0.05 0.82 0.23 0.00 0.00 176.91 178.62 1r27 h ILE 955 N 0.19 1.02 -0.65 1.77 2.04 -1.00 -1.43 117.51 119.45 1r27 h ILE 955 Ca 0.07 -0.04 -0.06 0.00 1.00 0.00 0.00 64.86 65.84 1r27 h ILE 955 Cb 0.38 0.90 -0.03 0.00 -0.74 0.00 0.00 36.82 37.33 1r27 h ILE 955 CO 0.01 0.02 0.18 -0.07 0.00 0.00 0.00 178.15 178.29 1r27 h LEU 956 N 0.10 0.94 -0.39 1.44 3.38 -1.24 -2.32 115.31 117.22 1r27 h LEU 956 Ca 0.03 -0.17 -0.19 0.00 0.09 0.00 0.00 57.88 57.64 1r27 h LEU 956 Cb -0.01 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.49 1r27 h LEU 956 CO -0.01 0.89 -0.78 0.74 0.09 0.00 0.00 178.44 179.37 1r27 h THR 957 N 0.96 1.42 0.00 0.22 2.02 -0.96 -3.33 112.91 113.24 1r27 h THR 957 Ca 0.21 -2.29 -0.18 0.00 0.77 0.00 0.00 66.41 64.92 1r27 h THR 957 Cb 0.30 2.24 -0.03 0.00 -1.74 0.00 0.00 68.15 68.92 1r27 h THR 957 CO -0.00 0.68 -1.11 -0.07 0.37 0.00 0.00 175.52 175.38 1r27 h LEU 958 N 0.20 0.00 -9.60 2.58 3.38 -1.22 -3.45 115.31 107.20 1r27 h LEU 958 Ca -0.04 0.00 -0.52 0.00 0.09 0.00 0.00 57.88 57.42 1r27 h LEU 958 Cb 1.36 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.10 1r27 h LEU 958 CO 0.13 0.73 0.41 0.00 0.09 0.00 0.00 178.44 179.79 1r27 s ALA 959 N -2.83 3.29 0.37 1.53 0.00 -0.88 -4.54 121.76 118.71 1r27 s ALA 959 Ca -0.00 0.67 0.07 0.00 0.00 0.00 0.00 51.96 52.70 1r27 s ALA 959 Cb 0.09 -3.31 0.73 0.00 0.00 0.00 0.00 23.12 20.63 1r27 s ALA 959 CO 0.80 -0.09 1.92 -1.00 0.00 0.00 0.00 175.76 177.38 1r27 h PRO 960 N 5.42 0.37 0.00 0.00 0.13 -1.86 -0.77 132.00 135.29 1r27 h PRO 960 Ca -0.43 -0.07 0.00 0.00 -0.87 0.00 0.00 66.00 64.62 1r27 h PRO 960 Cb 1.21 -0.06 0.00 0.00 0.13 0.00 0.00 31.00 32.28 1r27 h PRO 960 CO 0.72 0.43 0.00 -1.91 -0.23 0.00 0.00 178.00 177.02 1r27 n GLU 961 N -4.30 0.39 0.00 0.86 0.00 -1.26 -3.21 120.64 113.11 1r27 n GLU 961 Ca 0.00 0.04 0.00 0.00 0.00 0.00 0.00 57.16 57.20 1r27 n GLU 961 Cb 0.23 -1.50 0.00 0.00 0.00 0.00 0.00 31.44 30.17 1r27 n GLU 961 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.13 177.38 1r27 n THR 962 N -1.28 0.00 -3.66 6.31 -2.24 -0.98 -0.04 114.28 112.39 1r27 n THR 962 Ca 0.13 -0.36 -0.28 0.00 -2.27 0.00 0.00 64.05 61.27 1r27 n THR 962 Cb 0.21 1.19 -0.16 0.00 -2.10 0.00 0.00 70.33 69.47 1r27 n THR 962 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 1r27 s ASN 963 N -0.24 3.30 0.47 3.42 3.84 -0.33 -1.28 114.94 124.11 1r27 s ASN 963 Ca 0.00 -1.13 0.18 0.00 0.21 0.00 0.00 52.86 52.11 1r27 s ASN 963 Cb 0.00 -0.55 1.16 0.00 -0.55 0.00 0.00 41.25 41.31 1r27 s ASN 963 CO 0.00 -0.38 1.99 1.23 -2.79 0.00 0.00 177.10 177.15 1r27 h GLY 964 N 8.27 0.39 1.53 1.21 0.00 -0.79 -0.82 103.07 112.86 1r27 h GLY 964 Ca -0.16 -0.11 -0.05 0.00 0.00 0.00 0.00 47.33 47.01 1r27 h GLY 964 CO 0.39 0.06 0.01 -1.61 0.00 0.00 0.00 176.54 175.40 1r27 h GLN 965 N 0.26 0.59 0.14 4.80 4.15 -1.84 -2.29 115.11 120.93 1r27 h GLN 965 Ca 0.27 -0.13 -0.30 0.00 0.77 0.00 0.00 58.65 59.26 1r27 h GLN 965 Cb 0.70 -0.08 0.02 0.00 0.21 0.00 0.00 27.48 28.33 1r27 h GLN 965 CO -0.06 0.60 -1.27 0.28 -1.93 0.00 0.00 178.83 176.46 1r27 h VAL 966 N 0.57 1.33 -0.68 2.39 2.07 -1.50 -3.23 116.25 117.19 1r27 h VAL 966 Ca 0.12 -2.61 0.08 0.00 0.82 0.00 0.00 66.70 65.11 1r27 h VAL 966 Cb 0.34 2.78 -0.07 0.00 -1.52 0.00 0.00 31.29 32.82 1r27 h VAL 966 CO 0.01 0.78 0.34 0.00 0.02 0.00 0.00 177.57 178.73 1r27 h ALA 967 N 0.36 0.93 -0.43 1.67 0.00 -0.95 0.78 119.26 121.62 1r27 h ALA 967 Ca -0.18 0.05 -0.03 0.00 0.00 0.00 0.00 54.91 54.74 1r27 h ALA 967 Cb 1.95 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 19.66 1r27 h ALA 967 CO 0.23 -0.04 0.14 0.28 0.00 0.00 0.00 179.25 179.86 1r27 h VAL 968 N 0.60 1.22 -0.62 0.00 2.07 -1.52 -0.85 116.25 117.15 1r27 h VAL 968 Ca 0.33 -0.72 -0.05 0.00 0.82 0.00 0.00 66.70 67.08 1r27 h VAL 968 Cb 0.32 0.88 -0.03 0.00 -1.52 0.00 0.00 31.29 30.94 1r27 h VAL 968 CO -0.25 0.26 0.21 0.11 0.02 0.00 0.00 177.57 177.92 1r27 h LYS 969 N 0.55 0.94 -0.27 1.57 1.57 -1.40 -0.50 116.57 119.04 1r27 h LYS 969 Ca 0.14 -0.18 -0.06 0.00 -1.87 0.00 0.00 60.65 58.69 1r27 h LYS 969 Cb 0.26 -0.15 -0.01 0.00 0.08 0.00 0.00 32.23 32.41 1r27 h LYS 969 CO -0.00 0.80 -0.06 0.00 -0.57 0.00 0.00 179.45 179.62 1r27 h ALA 970 N 1.31 0.37 -0.74 3.86 0.00 -0.58 -1.68 119.26 121.81 1r27 h ALA 970 Ca 0.21 -0.27 -0.02 0.00 0.00 0.00 0.00 54.91 54.82 1r27 h ALA 970 Cb 0.25 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.90 1r27 h ALA 970 CO -0.01 0.17 0.37 -1.49 0.00 0.00 0.00 179.25 178.29 1r27 h TRP 971 N 0.27 1.04 -0.45 0.00 -0.00 -0.91 -1.96 115.95 113.95 1r27 h TRP 971 Ca 0.07 -0.04 -0.01 0.00 -0.00 0.00 0.00 58.89 58.91 1r27 h TRP 971 Cb 0.53 -0.33 -0.02 0.00 -0.00 0.00 0.00 29.16 29.34 1r27 h TRP 971 CO 0.05 0.75 0.23 0.00 -0.00 0.00 0.00 178.44 179.47 1r27 h ALA 972 N 1.35 0.58 -0.90 1.49 0.00 -0.89 -0.44 119.26 120.45 1r27 h ALA 972 Ca 0.26 -0.11 0.05 0.00 0.00 0.00 0.00 54.91 55.11 1r27 h ALA 972 Cb 0.09 -0.18 -0.06 0.00 0.00 0.00 0.00 17.79 17.64 1r27 h ALA 972 CO -0.03 0.13 0.58 0.00 0.00 0.00 0.00 179.25 179.92 1r27 h ALA 973 N 1.07 1.22 -0.62 0.00 0.00 -0.85 -1.87 119.26 118.21 1r27 h ALA 973 Ca 0.16 -0.03 -0.09 0.00 0.00 0.00 0.00 54.91 54.95 1r27 h ALA 973 Cb 0.10 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.58 1r27 h ALA 973 CO -0.02 0.39 0.03 1.25 0.00 0.00 0.00 179.25 180.90 1r27 h LEU 974 N 1.09 1.04 -2.08 0.00 5.85 -0.74 -2.77 115.31 117.71 1r27 h LEU 974 Ca 0.37 -0.29 0.10 0.00 0.84 0.00 0.00 57.88 58.90 1r27 h LEU 974 Cb 0.08 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 40.82 1r27 h LEU 974 CO -0.14 1.08 0.29 0.28 -0.34 0.00 0.00 178.44 179.60 1r27 h SER 975 N 0.98 0.00 -0.00 1.25 0.02 -0.25 0.26 113.55 115.80 1r27 h SER 975 Ca 0.18 0.00 -0.06 0.00 -0.84 0.00 0.00 61.79 61.07 1r27 h SER 975 Cb 0.53 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.05 1r27 h SER 975 CO 0.03 0.00 -0.16 -0.33 -1.14 0.00 0.00 176.83 175.23 1r27 h GLU 976 N 0.00 0.31 0.05 3.45 4.39 -1.27 -0.17 114.58 121.35 1r27 h GLU 976 Ca 0.16 -0.08 -0.00 0.00 0.34 0.00 0.00 59.36 59.77 1r27 h GLU 976 Cb 0.73 -0.04 0.00 0.00 -0.10 0.00 0.00 28.75 29.34 1r27 h GLU 976 CO -0.00 0.47 -0.03 0.74 -1.16 0.00 0.00 179.01 179.04 1r27 h PHE 977 N 0.29 -0.07 0.00 4.33 0.04 -1.06 -2.92 116.94 117.56 1r27 h PHE 977 Ca 0.06 -0.00 -0.10 0.00 2.80 0.00 0.00 57.97 60.72 1r27 h PHE 977 Cb 0.46 0.02 -0.01 0.00 2.20 0.00 0.00 35.95 38.61 1r27 h PHE 977 CO 0.01 0.55 -0.48 1.79 -0.60 0.00 0.00 178.31 179.57 1r27 h THR 978 N -0.88 0.98 0.00 -1.55 1.35 -1.49 -2.43 112.91 108.89 1r27 h THR 978 Ca -0.01 -1.94 0.00 0.00 -0.55 0.00 0.00 66.41 63.91 1r27 h THR 978 Cb 0.64 2.18 0.00 0.00 -1.73 0.00 0.00 68.15 69.24 1r27 h THR 978 CO 0.01 0.47 0.00 0.61 -0.25 0.00 0.00 175.52 176.37 1r27 n GLY 979 N 0.65 0.89 3.49 5.82 0.00 -0.08 -4.33 105.19 111.63 1r27 n GLY 979 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.71 1r27 n GLY 979 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1r27 s ARG 980 N -0.15 2.25 -0.06 1.61 0.52 -1.24 -5.01 118.95 116.87 1r27 s ARG 980 Ca 0.00 -0.88 -0.28 0.00 -0.52 0.00 0.00 55.73 54.05 1r27 s ARG 980 Cb 0.00 -2.29 -0.03 0.00 0.52 0.00 0.00 34.95 33.15 1r27 s ARG 980 CO 0.00 0.57 0.92 0.34 0.02 0.00 0.00 175.30 177.15 1r27 s ASP 981 N -1.33 7.23 0.00 0.23 -1.08 -1.26 -4.38 116.67 116.07 1r27 s ASP 981 Ca 0.15 1.49 0.00 0.00 -0.52 0.00 0.00 52.55 53.67 1r27 s ASP 981 Cb -0.11 -2.53 0.00 0.00 -1.46 0.00 0.00 42.92 38.83 1r27 s ASP 981 CO 0.05 -0.29 0.35 1.41 0.52 0.00 0.00 175.17 177.21 1r27 n HIS 982 N 4.28 0.00 0.30 -5.34 8.25 -1.26 -4.69 115.22 116.77 1r27 n HIS 982 Ca 0.05 0.00 0.19 0.00 -0.26 0.00 0.00 57.72 57.70 1r27 n HIS 982 Cb 0.50 0.00 1.01 0.00 1.12 0.00 0.00 29.99 32.62 1r27 n HIS 982 CO 0.00 0.00 0.00 1.79 0.64 0.00 0.00 176.34 178.77 1r27 h THR 983 N 0.01 0.25 0.00 1.59 1.35 -1.90 -0.84 112.91 113.37 1r27 h THR 983 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.86 1r27 h THR 983 Cb 0.00 0.93 0.00 0.00 -1.73 0.00 0.00 68.15 67.35 1r27 h THR 983 CO 0.00 0.00 0.00 0.00 -0.25 0.00 0.00 175.52 175.27 1r27 n HIS 984 N -3.43 0.55 0.21 4.73 1.44 -1.26 -1.18 115.22 116.28 1r27 n HIS 984 Ca -0.02 0.26 0.10 0.00 -2.01 0.00 0.00 57.72 56.05 1r27 n HIS 984 Cb 0.16 -0.91 0.30 0.00 0.12 0.00 0.00 29.99 29.66 1r27 n HIS 984 CO 0.00 0.00 0.00 -0.07 -2.81 0.00 0.00 176.34 173.46 1r27 h LEU 985 N 0.00 0.00 0.00 2.39 3.38 -1.52 -3.35 115.31 116.20 1r27 h LEU 985 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1r27 h LEU 985 Cb 0.13 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.88 1r27 h LEU 985 CO 0.00 0.19 -0.04 0.00 0.09 0.00 0.00 178.44 178.68 1r27 n ALA 986 N -2.16 1.36 -0.29 1.53 0.00 -0.84 -4.68 120.51 115.43 1r27 n ALA 986 Ca 0.02 0.00 0.10 0.00 0.00 0.00 0.00 53.44 53.56 1r27 n ALA 986 Cb 0.51 0.00 0.26 0.00 0.00 0.00 0.00 19.45 20.22 1r27 n ALA 986 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1r27 h LEU 987 N 0.00 0.35 0.00 0.00 3.38 -1.29 0.29 115.31 118.04 1r27 h LEU 987 Ca 0.00 0.13 0.00 0.00 0.09 0.00 0.00 57.88 58.10 1r27 h LEU 987 Cb 0.00 0.10 0.00 0.00 0.09 0.00 0.00 40.66 40.85 1r27 h LEU 987 CO 0.00 0.07 0.00 0.59 0.09 0.00 0.00 178.44 179.19 1r27 n ASN 988 N -5.00 0.00 0.00 -0.43 3.02 -1.26 -2.32 115.26 109.26 1r27 n ASN 988 Ca 0.19 -0.66 0.00 0.00 -0.03 0.00 0.00 54.58 54.08 1r27 n ASN 988 Cb 0.54 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.71 1r27 n ASN 988 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1r27 n LYS 989 N -0.99 1.57 -1.15 3.52 5.02 0.91 -5.01 118.16 122.03 1r27 n LYS 989 Ca 0.15 -1.02 -0.32 0.00 -2.02 0.00 0.00 58.31 55.10 1r27 n LYS 989 Cb 0.07 -0.80 0.12 0.00 -0.02 0.00 0.00 35.03 34.40 1r27 n LYS 989 CO 0.00 0.00 0.00 -2.00 -0.52 0.00 0.00 177.40 174.88 1r27 s GLU 990 N -0.54 1.78 0.00 1.97 2.12 -0.47 -1.65 118.70 121.91 1r27 s GLU 990 Ca 0.00 1.56 0.00 0.00 0.36 0.00 0.00 54.97 56.89 1r27 s GLU 990 Cb 0.00 -1.81 0.00 0.00 0.26 0.00 0.00 34.13 32.58 1r27 s GLU 990 CO 0.00 -2.07 0.00 -0.25 -0.54 0.00 0.00 175.26 172.40 1r27 n ASP 991 N -3.41 0.00 -4.70 -1.70 9.92 -1.26 -4.90 116.55 110.50 1r27 n ASP 991 Ca 0.12 0.00 -0.42 0.00 -0.53 0.00 0.00 54.79 53.96 1r27 n ASP 991 Cb 0.51 0.00 -0.03 0.00 -0.64 0.00 0.00 41.12 40.97 1r27 n ASP 991 CO 0.00 0.00 0.00 -1.61 0.13 0.00 0.00 177.20 175.72 1r27 s GLU 992 N -0.28 4.51 -0.17 -1.24 2.02 -0.66 -4.93 118.70 117.96 1r27 s GLU 992 Ca 0.00 1.39 -0.03 0.00 0.02 0.00 0.00 54.97 56.35 1r27 s GLU 992 Cb 0.00 -3.49 0.06 0.00 0.10 0.00 0.00 34.13 30.80 1r27 s GLU 992 CO 0.00 -0.13 0.05 0.15 0.02 0.00 0.00 175.26 175.35 1r27 s LYS 993 N 1.32 0.45 -0.05 1.61 1.02 -1.26 -0.24 119.74 122.58 1r27 s LYS 993 Ca 0.50 -0.24 -0.30 0.00 0.02 0.00 0.00 55.97 55.96 1r27 s LYS 993 Cb -0.20 -1.86 -0.02 0.00 -0.52 0.00 0.00 37.83 35.23 1r27 s LYS 993 CO 0.24 -0.60 1.04 0.42 -0.92 0.00 0.00 175.35 175.53 1r27 s ILE 994 N 1.96 4.69 0.07 2.17 1.01 -0.41 -5.04 121.20 125.66 1r27 s ILE 994 Ca 0.01 1.95 0.05 0.00 0.00 0.00 0.00 60.65 62.66 1r27 s ILE 994 Cb -0.16 -4.25 -0.04 0.00 0.01 0.00 0.00 42.46 38.02 1r27 s ILE 994 CO -0.08 0.06 -0.05 -0.13 0.00 0.00 0.00 174.94 174.74 1r27 s ARG 995 N 1.66 2.44 0.15 2.79 1.81 -1.26 -4.71 118.95 121.82 1r27 s ARG 995 Ca 0.51 -0.85 -0.17 0.00 -1.72 0.00 0.00 55.73 53.50 1r27 s ARG 995 Cb -0.21 -2.47 0.03 0.00 -0.45 0.00 0.00 34.95 31.85 1r27 s ARG 995 CO 0.22 0.55 1.75 0.35 -0.68 0.00 0.00 175.30 177.50 1r27 h PHE 996 N 3.84 0.21 0.00 -0.53 3.57 -1.96 -1.94 116.94 120.13 1r27 h PHE 996 Ca -0.48 0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.01 1r27 h PHE 996 Cb 1.17 -0.05 -0.00 0.00 2.79 0.00 0.00 35.95 39.85 1r27 h PHE 996 CO 0.60 0.10 -0.11 0.00 -2.23 0.00 0.00 178.31 176.67 1r27 h ARG 997 N 0.26 0.00 -0.15 1.11 3.08 -2.00 -2.57 114.38 114.11 1r27 h ARG 997 Ca 0.14 0.00 -0.23 0.00 0.07 0.00 0.00 59.98 59.96 1r27 h ARG 997 Cb 0.10 0.00 0.01 0.00 0.08 0.00 0.00 29.97 30.16 1r27 h ARG 997 CO -0.14 0.11 -0.79 -0.44 -1.07 0.00 0.00 179.97 177.64 1r27 h ASP 998 N 0.00 0.95 1.04 7.04 3.32 -1.74 -3.01 116.42 124.02 1r27 h ASP 998 Ca -0.00 -0.63 0.00 0.00 0.02 0.00 0.00 57.03 56.42 1r27 h ASP 998 Cb 0.33 -0.28 0.00 0.00 0.22 0.00 0.00 39.33 39.60 1r27 h ASP 998 CO 0.01 1.43 0.00 0.16 -1.72 0.00 0.00 179.24 179.13 1r27 h ILE 999 N 0.54 0.00 -0.15 0.35 3.07 -1.08 -0.79 117.51 119.44 1r27 h ILE 999 Ca -0.06 -0.51 -0.13 0.00 1.55 0.00 0.00 64.86 65.72 1r27 h ILE 999 Cb 1.42 1.48 -0.01 0.00 -0.27 0.00 0.00 36.82 39.44 1r27 h ILE 999 CO 0.16 0.00 -0.45 1.56 -1.05 0.00 0.00 178.15 178.37 1r27 h GLN 1000N 0.00 0.38 -0.01 0.16 4.20 -1.35 -3.16 115.11 115.34 1r27 h GLN 1000Ca 0.00 -0.20 -0.15 0.00 0.06 0.00 0.00 58.65 58.36 1r27 h GLN 1000Cb 0.52 0.01 0.01 0.00 0.30 0.00 0.00 27.48 28.32 1r27 h GLN 1000CO 0.00 0.76 -0.57 0.00 -0.67 0.00 0.00 178.83 178.35 1r27 h ALA 1001N 1.21 0.08 -2.08 3.87 0.00 -1.11 -3.46 119.26 117.78 1r27 h ALA 1001Ca 0.02 -0.56 -0.01 0.00 0.00 0.00 0.00 54.91 54.36 1r27 h ALA 1001Cb 0.92 0.03 -0.22 0.00 0.00 0.00 0.00 17.79 18.52 1r27 h ALA 1001CO 0.08 0.34 0.01 -1.14 0.00 0.00 0.00 179.25 178.53 1r27 s GLN 1002N -3.23 0.70 0.45 0.00 0.74 -0.43 -5.13 119.66 112.77 1r27 s GLN 1002Ca -0.13 1.12 -0.24 0.00 0.05 0.00 0.00 55.36 56.16 1r27 s GLN 1002Cb 0.03 0.19 -0.09 0.00 1.10 0.00 0.00 33.01 34.24 1r27 s GLN 1002CO 0.82 -0.14 1.19 -2.30 -0.55 0.00 0.00 175.29 174.31 1r27 n PRO 1003N 3.93 1.66 -4.35 1.67 -0.02 -1.24 -4.05 135.00 132.60 1r27 n PRO 1003Ca -0.19 0.60 -0.29 0.00 -2.02 0.00 0.00 63.50 61.60 1r27 n PRO 1003Cb 0.58 -2.30 -0.12 0.00 -0.02 0.00 0.00 33.50 31.64 1r27 n PRO 1003CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 1r27 s ARG 1004N -2.29 1.67 0.27 -0.52 1.81 -1.10 -4.51 118.95 114.27 1r27 s ARG 1004Ca 0.64 -1.23 -0.27 0.00 -1.72 0.00 0.00 55.73 53.15 1r27 s ARG 1004Cb -0.50 -2.04 -0.09 0.00 -0.45 0.00 0.00 34.95 31.86 1r27 s ARG 1004CO 0.56 0.47 0.91 0.15 -0.68 0.00 0.00 175.30 176.71 1r27 s LYS 1005N -2.08 4.67 0.89 3.54 1.02 -1.26 -1.08 119.74 125.44 1r27 s LYS 1005Ca 0.16 1.35 -0.14 0.00 0.02 0.00 0.00 55.97 57.37 1r27 s LYS 1005Cb -0.10 -3.04 0.15 0.00 -0.52 0.00 0.00 37.83 34.32 1r27 s LYS 1005CO 0.08 0.41 1.25 0.96 -0.92 0.00 0.00 175.35 177.13 1r27 s ILE 1006N -1.39 2.02 -0.03 2.17 -5.25 -0.35 -4.93 121.20 113.44 1r27 s ILE 1006Ca 0.45 -0.04 -0.03 0.00 -0.99 0.00 0.00 60.65 60.03 1r27 s ILE 1006Cb -0.22 -2.98 -0.04 0.00 2.95 0.00 0.00 42.46 42.17 1r27 s ILE 1006CO 0.27 0.00 0.17 -0.63 -1.79 0.00 0.00 174.94 172.96 1r27 s ILE 1007N -3.72 5.39 0.20 8.37 1.01 0.94 -4.86 121.20 128.52 1r27 s ILE 1007Ca 0.69 -0.12 -0.32 0.00 0.00 0.00 0.00 60.65 60.90 1r27 s ILE 1007Cb -0.06 -3.49 -0.12 0.00 0.01 0.00 0.00 42.46 38.79 1r27 s ILE 1007CO 0.51 0.37 1.70 -1.20 0.00 0.00 0.00 174.94 176.33 1r27 n SER 1008N 1.13 3.83 -3.97 3.58 7.64 -1.26 -4.41 113.62 120.16 1r27 n SER 1008Ca -0.12 1.06 -0.09 0.00 1.01 0.00 0.00 58.87 60.73 1r27 n SER 1008Cb 0.53 -1.55 -0.10 0.00 -1.01 0.00 0.00 64.21 62.08 1r27 n SER 1008CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1r27 s SER 1009N 1.18 0.23 0.00 6.43 0.15 -1.26 -4.67 113.70 115.76 1r27 s SER 1009Ca 0.76 -0.55 0.07 0.00 0.70 0.00 0.00 55.95 56.93 1r27 s SER 1009Cb -0.54 0.17 0.34 0.00 -1.71 0.00 0.00 66.02 64.28 1r27 s SER 1009CO 0.33 -0.42 1.17 -0.81 1.20 0.00 0.00 173.24 174.71 1r27 n PRO 1010N 1.10 0.05 0.22 5.44 -0.04 -1.26 -1.84 135.00 138.66 1r27 n PRO 1010Ca -0.21 0.30 0.10 0.00 -0.04 0.00 0.00 63.50 63.65 1r27 n PRO 1010Cb 0.57 -1.50 0.38 0.00 -0.04 0.00 0.00 33.50 32.92 1r27 n PRO 1010CO 0.00 0.00 0.00 1.15 -0.04 0.00 0.00 175.50 176.61 1r27 h THR 1011N 0.00 0.47 -2.71 0.52 2.02 -1.96 -3.45 112.91 107.80 1r27 h THR 1011Ca 0.00 -1.20 -0.49 0.00 0.77 0.00 0.00 66.41 65.49 1r27 h THR 1011Cb 0.10 1.87 -0.14 0.00 -1.74 0.00 0.00 68.15 68.23 1r27 h THR 1011CO 0.00 0.21 -0.73 0.26 0.37 0.00 0.00 175.52 175.63 1r27 s TRP 1012N -3.49 1.86 -1.88 3.16 0.52 -0.77 -5.06 118.94 113.28 1r27 s TRP 1012Ca 0.02 -0.55 0.18 0.00 0.02 0.00 0.00 56.10 55.77 1r27 s TRP 1012Cb 0.09 -0.89 0.36 0.00 -1.15 0.00 0.00 33.47 31.88 1r27 s TRP 1012CO 0.65 0.41 1.29 -1.13 0.02 0.00 0.00 176.95 178.18 1r27 n SER 1013N -0.46 3.14 -4.86 2.95 3.41 -1.26 -4.74 113.62 111.79 1r27 n SER 1013Ca -0.07 -1.91 -0.21 0.00 -0.26 0.00 0.00 58.87 56.42 1r27 n SER 1013Cb 0.61 -0.23 -0.03 0.00 -0.26 0.00 0.00 64.21 64.30 1r27 n SER 1013CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 1r27 s GLY 1014N -1.23 1.94 0.15 5.00 0.00 -1.26 -1.56 107.32 110.36 1r27 s GLY 1014Ca 0.32 -1.76 0.10 0.00 0.00 0.00 0.00 44.72 43.38 1r27 s GLY 1014CO 0.25 -1.64 -0.23 1.08 0.00 0.00 0.00 173.10 172.57 1r27 s LEU 1015N -4.05 2.49 -0.67 0.66 1.43 -1.26 -4.74 118.68 112.54 1r27 s LEU 1015Ca 0.44 -0.72 -0.11 0.00 -1.03 0.00 0.00 54.13 52.71 1r27 s LEU 1015Cb -0.05 -1.32 0.17 0.00 0.03 0.00 0.00 46.19 45.03 1r27 s LEU 1015CO 0.27 0.16 0.58 -1.61 0.23 0.00 0.00 176.35 175.98 1r27 s GLU 1016N -2.31 3.08 0.13 1.70 0.41 -1.26 -3.47 118.70 116.98 1r27 s GLU 1016Ca 0.18 -2.23 0.04 0.00 -0.41 0.00 0.00 54.97 52.55 1r27 s GLU 1016Cb -0.09 -4.17 -0.04 0.00 -1.78 0.00 0.00 34.13 28.05 1r27 s GLU 1016CO 0.09 -1.25 -0.10 0.34 -0.49 0.00 0.00 175.26 173.84 1r27 s ASP 1017N 2.16 1.73 0.38 -0.19 2.15 -1.24 -4.61 116.67 117.05 1r27 s ASP 1017Ca 0.13 -0.95 0.20 0.00 0.43 0.00 0.00 52.55 52.36 1r27 s ASP 1017Cb -0.18 -0.01 0.46 0.00 -0.30 0.00 0.00 42.92 42.89 1r27 s ASP 1017CO -0.04 -0.30 1.63 -0.08 -0.17 0.00 0.00 175.17 176.20 1r27 h GLU 1018N 3.01 0.00 0.00 4.34 4.81 -2.01 -3.35 114.58 121.38 1r27 h GLU 1018Ca -0.37 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.86 1r27 h GLU 1018Cb 1.19 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.57 1r27 h GLU 1018CO 0.60 0.29 -1.57 0.72 -0.73 0.00 0.00 179.01 178.33 1r27 n HIS 1019N -3.25 0.00 -4.43 0.92 8.25 -1.26 -4.87 115.22 110.58 1r27 n HIS 1019Ca 0.02 0.00 -0.20 0.00 -0.26 0.00 0.00 57.72 57.27 1r27 n HIS 1019Cb 0.58 -0.29 -0.15 0.00 1.12 0.00 0.00 29.99 31.25 1r27 n HIS 1019CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 1r27 s VAL 1020N -2.88 0.83 0.91 1.59 0.11 -1.26 -5.15 120.40 114.56 1r27 s VAL 1020Ca -0.05 -0.40 -0.12 0.00 -2.93 0.00 0.00 61.98 58.48 1r27 s VAL 1020Cb 0.08 -0.72 0.14 0.00 -1.53 0.00 0.00 36.38 34.35 1r27 s VAL 1020CO 0.53 0.25 1.11 -0.44 -3.33 0.00 0.00 175.10 173.23 1r27 s SER 1021N 0.07 3.45 -0.09 3.54 0.01 -1.26 -3.72 113.70 115.69 1r27 s SER 1021Ca -0.01 1.15 -0.30 0.00 1.31 0.00 0.00 55.95 58.10 1r27 s SER 1021Cb -0.07 -1.80 -0.04 0.00 0.21 0.00 0.00 66.02 64.32 1r27 s SER 1021CO 0.00 -2.61 1.41 -0.47 0.41 0.00 0.00 173.24 171.99 1r27 s TYR 1022N -3.13 2.58 -0.09 2.43 5.04 -1.23 -4.59 117.35 118.37 1r27 s TYR 1022Ca 0.64 0.72 -0.03 0.00 -2.44 0.00 0.00 57.07 55.95 1r27 s TYR 1022Cb -0.16 -3.66 0.04 0.00 0.35 0.00 0.00 41.96 38.53 1r27 s TYR 1022CO 0.55 -2.53 0.07 1.21 -1.34 0.00 0.00 175.55 173.51 1r27 s ASN 1023N 2.37 1.63 0.47 4.32 3.84 -1.26 -2.23 114.94 124.08 1r27 s ASN 1023Ca 0.63 -0.19 -0.24 0.00 0.21 0.00 0.00 52.86 53.27 1r27 s ASN 1023Cb -0.27 -0.21 -0.08 0.00 -0.55 0.00 0.00 41.25 40.13 1r27 s ASN 1023CO 0.22 -0.28 1.19 0.00 -2.79 0.00 0.00 177.10 175.44 1r27 n ALA 1024N 5.27 0.97 -0.83 1.71 0.00 -1.26 -2.24 120.51 124.14 1r27 n ALA 1024Ca -0.05 0.20 0.00 0.00 0.00 0.00 0.00 53.44 53.59 1r27 n ALA 1024Cb 0.50 -2.22 0.00 0.00 0.00 0.00 0.00 19.45 17.72 1r27 n ALA 1024CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1r27 n GLY 1025N 0.94 1.08 0.15 0.00 0.00 -1.21 -3.15 105.19 103.00 1r27 n GLY 1025Ca 0.09 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.01 1r27 n GLY 1025CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 1r27 h TYR 1026N 0.00 0.42 0.00 1.61 3.20 -0.86 -2.16 116.97 119.18 1r27 h TYR 1026Ca 0.00 -0.01 -0.07 0.00 3.14 0.00 0.00 58.73 61.79 1r27 h TYR 1026Cb 0.00 -0.13 -0.01 0.00 1.54 0.00 0.00 36.73 38.13 1r27 h TYR 1026CO 0.00 0.35 -0.34 1.79 -1.64 0.00 0.00 178.16 178.32 1r27 h THR 1027N 0.37 0.93 0.13 1.81 1.35 -1.57 0.11 112.91 116.04 1r27 h THR 1027Ca 0.11 -1.33 -0.01 0.00 -0.55 0.00 0.00 66.41 64.63 1r27 h THR 1027Cb 0.07 1.79 0.00 0.00 -1.73 0.00 0.00 68.15 68.28 1r27 h THR 1027CO -0.02 0.34 -0.06 0.78 -0.25 0.00 0.00 175.52 176.31 1r27 h ASN 1028N 0.00 -0.14 -0.35 5.36 2.35 -1.69 0.22 115.58 121.33 1r27 h ASN 1028Ca -0.00 -0.31 -0.08 0.00 -0.55 0.00 0.00 56.30 55.35 1r27 h ASN 1028Cb 0.76 0.04 -0.01 0.00 0.05 0.00 0.00 38.32 39.16 1r27 h ASN 1028CO 0.04 0.26 -0.09 0.58 -1.65 0.00 0.00 177.43 176.57 1r27 h VAL 1029N -0.57 1.28 0.00 2.81 2.07 -1.30 -1.88 116.25 118.65 1r27 h VAL 1029Ca -0.02 -1.16 -0.17 0.00 0.82 0.00 0.00 66.70 66.17 1r27 h VAL 1029Cb 0.45 1.31 -0.03 0.00 -1.52 0.00 0.00 31.29 31.50 1r27 h VAL 1029CO 0.03 0.38 -1.67 1.41 0.02 0.00 0.00 177.57 177.74 1r27 n HIS 1030N -4.40 0.65 0.70 1.57 8.25 0.36 -4.18 115.22 118.18 1r27 n HIS 1030Ca -0.02 0.22 0.08 0.00 -0.26 0.00 0.00 57.72 57.74 1r27 n HIS 1030Cb 0.35 -0.97 0.06 0.00 1.12 0.00 0.00 29.99 30.55 1r27 n HIS 1030CO 0.00 0.00 0.00 0.39 0.64 0.00 0.00 176.34 177.37 1r27 n GLU 1031N -2.75 1.37 -2.87 -0.41 -0.58 0.76 -4.98 120.64 111.16 1r27 n GLU 1031Ca -0.13 -1.44 -0.22 0.00 -0.42 0.00 0.00 57.16 54.96 1r27 n GLU 1031Cb 0.84 -1.32 0.02 0.00 -0.57 0.00 0.00 31.44 30.41 1r27 n GLU 1031CO 0.00 0.00 0.00 1.28 -0.48 0.00 0.00 177.13 177.93 1r27 n LEU 1032N 0.85 -2.32 -4.74 -4.62 4.77 -0.72 -4.91 117.00 105.31 1r27 n LEU 1032Ca 0.10 -0.21 -0.40 0.00 -0.03 0.00 0.00 56.01 55.47 1r27 n LEU 1032Cb 0.41 -2.85 -0.05 0.00 -2.33 0.00 0.00 43.42 38.60 1r27 n LEU 1032CO 0.11 0.10 0.50 -0.63 -1.33 0.00 0.00 177.39 176.14 1r27 s ILE 1033N -3.10 4.73 0.68 -0.08 1.01 -1.16 -0.52 121.20 122.76 1r27 s ILE 1033Ca 0.22 1.69 -0.14 0.00 0.00 0.00 0.00 60.65 62.42 1r27 s ILE 1033Cb -0.10 -4.14 0.01 0.00 0.01 0.00 0.00 42.46 38.23 1r27 s ILE 1033CO 0.28 0.34 1.10 -2.84 0.00 0.00 0.00 174.94 173.82 1r27 s PRO 1034N 0.07 2.75 0.36 2.79 0.02 -1.26 -4.31 135.00 135.42 1r27 s PRO 1034Ca 0.40 1.30 -0.22 0.00 0.02 0.00 0.00 61.00 62.50 1r27 s PRO 1034Cb -0.21 -1.95 -0.10 0.00 0.02 0.00 0.00 34.50 32.26 1r27 s PRO 1034CO 0.24 -1.28 0.91 -1.58 -0.33 0.00 0.00 177.00 174.96 1r27 s TRP 1035N -2.50 3.49 -1.31 6.54 0.51 -0.27 -4.92 118.94 120.48 1r27 s TRP 1035Ca 0.65 1.63 -0.08 0.00 -2.12 0.00 0.00 56.10 56.17 1r27 s TRP 1035Cb -0.19 -2.83 -0.07 0.00 -0.81 0.00 0.00 33.47 29.56 1r27 s TRP 1035CO 0.45 0.06 2.58 0.54 -0.51 0.00 0.00 176.95 180.07 1r27 n ARG 1036N -0.06 2.98 -4.57 4.98 1.74 -1.08 -4.25 116.66 116.41 1r27 n ARG 1036Ca 0.04 -1.88 -0.29 0.00 -0.77 0.00 0.00 57.85 54.96 1r27 n ARG 1036Cb 0.52 -2.65 -0.10 0.00 -1.02 0.00 0.00 32.46 29.21 1r27 n ARG 1036CO 0.00 0.00 0.00 0.95 -1.52 0.00 0.00 177.63 177.06 1r27 s THR 1037N 2.73 1.86 0.18 0.55 -4.23 -1.26 -3.79 115.64 111.68 1r27 s THR 1037Ca 0.56 -1.95 -0.14 0.00 -1.18 0.00 0.00 61.69 58.99 1r27 s THR 1037Cb 0.15 -2.81 0.10 0.00 1.34 0.00 0.00 72.50 71.27 1r27 s THR 1037CO -0.05 0.00 1.71 0.25 -0.54 0.00 0.00 174.62 175.99 1r27 h LEU 1038N 1.62 -0.04 0.00 4.79 5.85 -1.90 -2.46 115.31 123.17 1r27 h LEU 1038Ca -0.44 0.09 0.00 0.00 0.84 0.00 0.00 57.88 58.37 1r27 h LEU 1038Cb 1.26 0.13 0.00 0.00 0.37 0.00 0.00 40.66 42.42 1r27 h LEU 1038CO 0.78 0.01 -0.52 0.77 -0.34 0.00 0.00 178.44 179.14 1r27 h SER 1039N 0.20 0.00 0.00 1.25 4.64 -1.92 -0.10 113.55 117.63 1r27 h SER 1039Ca 0.24 -0.09 0.00 0.00 -0.47 0.00 0.00 61.79 61.47 1r27 h SER 1039Cb 0.32 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.41 1r27 h SER 1039CO -0.33 0.04 0.00 0.61 -0.87 0.00 0.00 176.83 176.29 1r27 n GLY 1040N 1.25 1.82 3.45 -0.77 0.00 -0.93 -3.11 105.19 106.90 1r27 n GLY 1040Ca 0.03 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.81 1r27 n GLY 1040CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1r27 n ARG 1041N -2.00 0.76 -2.07 1.61 3.00 -1.26 -1.11 116.66 115.59 1r27 n ARG 1041Ca 0.00 -3.15 -0.42 0.00 -0.01 0.00 0.00 57.85 54.27 1r27 n ARG 1041Cb 0.00 0.39 -0.03 0.00 0.00 0.00 0.00 32.46 32.82 1r27 n ARG 1041CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.63 176.98 1r27 s GLN 1042N -4.02 3.17 -0.72 5.56 -0.21 -0.45 -4.73 119.66 118.26 1r27 s GLN 1042Ca 0.26 1.10 -0.26 0.00 0.02 0.00 0.00 55.36 56.47 1r27 s GLN 1042Cb -0.02 -4.22 -0.01 0.00 1.00 0.00 0.00 33.01 29.75 1r27 s GLN 1042CO 0.16 -2.07 1.76 -1.14 -2.12 0.00 0.00 175.29 171.88 1r27 s GLN 1043N 5.95 2.76 0.27 2.91 2.00 -0.42 -2.89 119.66 130.24 1r27 s GLN 1043Ca 0.73 0.18 0.18 0.00 -2.00 0.00 0.00 55.36 54.45 1r27 s GLN 1043Cb -0.18 -4.55 0.09 0.00 0.80 0.00 0.00 33.01 29.17 1r27 s GLN 1043CO 0.30 -2.74 1.34 -0.07 -0.50 0.00 0.00 175.29 173.62 1r27 h LEU 1044N 15.95 0.00 -8.40 3.68 4.07 -1.90 -3.39 115.31 125.32 1r27 h LEU 1044Ca -0.16 0.00 -0.66 0.00 0.08 0.00 0.00 57.88 57.14 1r27 h LEU 1044Cb 1.10 0.00 -0.28 0.00 1.08 0.00 0.00 40.66 42.56 1r27 h LEU 1044CO 1.24 0.36 -0.73 -0.47 -1.08 0.00 0.00 178.44 177.76 1r27 s TYR 1045N -3.05 2.94 -0.42 1.13 5.04 -1.26 -4.66 117.35 117.08 1r27 s TYR 1045Ca 0.03 -0.95 -0.16 0.00 -2.44 0.00 0.00 57.07 53.54 1r27 s TYR 1045Cb 0.07 -2.08 0.02 0.00 0.35 0.00 0.00 41.96 40.32 1r27 s TYR 1045CO 0.74 -0.54 0.39 -0.65 -1.34 0.00 0.00 175.55 174.15 1r27 s GLN 1046N 1.40 3.05 0.00 4.97 -1.52 0.13 -4.94 119.66 122.75 1r27 s GLN 1046Ca 0.05 -0.85 0.23 0.00 -1.95 0.00 0.00 55.36 52.83 1r27 s GLN 1046Cb -0.14 -3.97 0.60 0.00 -0.22 0.00 0.00 33.01 29.27 1r27 s GLN 1046CO -0.03 -0.82 1.51 -0.40 -0.25 0.00 0.00 175.29 175.30 1r27 n ASP 1047N 5.44 3.86 -4.76 5.90 5.75 -1.26 -4.15 116.55 127.33 1r27 n ASP 1047Ca -0.09 -2.00 -0.38 0.00 -0.01 0.00 0.00 54.79 52.31 1r27 n ASP 1047Cb 0.47 -0.43 0.01 0.00 -1.03 0.00 0.00 41.12 40.14 1r27 n ASP 1047CO 0.00 0.00 0.00 -2.28 -0.11 0.00 0.00 177.20 174.81 1r27 s HIS 1048N -1.12 2.63 0.16 2.11 2.46 -1.26 -4.57 115.29 115.69 1r27 s HIS 1048Ca 0.47 1.43 -0.27 0.00 0.47 0.00 0.00 55.06 57.16 1r27 s HIS 1048Cb 0.25 -3.63 0.00 0.00 -0.13 0.00 0.00 32.58 29.07 1r27 s HIS 1048CO 0.33 -2.22 1.57 0.37 -2.47 0.00 0.00 174.74 172.32 1r27 h GLN 1049N 2.01 -0.30 -0.94 2.88 5.75 -1.93 0.21 115.11 122.80 1r27 h GLN 1049Ca -0.50 0.02 0.02 0.00 -0.15 0.00 0.00 58.65 58.04 1r27 h GLN 1049Cb 1.27 0.07 -0.05 0.00 1.07 0.00 0.00 27.48 29.84 1r27 h GLN 1049CO 0.60 -0.20 0.62 -1.49 -2.65 0.00 0.00 178.83 175.71 1r27 h TRP 1050N -0.31 1.17 -0.70 3.99 4.06 -1.97 0.25 115.95 122.44 1r27 h TRP 1050Ca 0.14 0.03 -0.05 0.00 2.06 0.00 0.00 58.89 61.07 1r27 h TRP 1050Cb 0.58 -0.39 -0.03 0.00 -1.00 0.00 0.00 29.16 28.32 1r27 h TRP 1050CO -0.65 0.72 0.25 0.52 -3.56 0.00 0.00 178.44 175.72 1r27 h MET 1051N 1.25 1.06 0.07 0.49 2.86 -1.52 -1.38 114.93 117.76 1r27 h MET 1051Ca 0.35 -0.21 -0.00 0.00 -2.06 0.00 0.00 59.70 57.78 1r27 h MET 1051Cb -0.11 -0.16 0.00 0.00 0.06 0.00 0.00 31.60 31.39 1r27 h MET 1051CO -0.08 0.90 -0.03 0.00 1.06 0.00 0.00 176.91 178.75 1r27 h ARG 1052N 1.01 -0.09 0.00 1.72 3.08 0.26 -0.29 114.38 120.06 1r27 h ARG 1052Ca 0.23 0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.29 1r27 h ARG 1052Cb 0.25 0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.33 1r27 h ARG 1052CO -0.01 0.29 0.00 -0.25 -1.07 0.00 0.00 179.97 178.93 1r27 n ASP 1053N -4.95 0.27 -1.41 7.04 8.00 0.79 -2.00 116.55 124.29 1r27 n ASP 1053Ca -0.08 0.56 0.09 0.00 0.71 0.00 0.00 54.79 56.07 1r27 n ASP 1053Cb 0.22 -0.62 0.33 0.00 -0.02 0.00 0.00 41.12 41.03 1r27 n ASP 1053CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 1r27 n PHE 1054N -1.79 1.27 -2.11 1.24 3.72 -0.53 -0.54 117.46 118.72 1r27 n PHE 1054Ca 0.03 -0.60 -0.11 0.00 -0.05 0.00 0.00 57.45 56.72 1r27 n PHE 1054Cb 0.21 -0.19 -0.01 0.00 -0.94 0.00 0.00 39.48 38.55 1r27 n PHE 1054CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1r27 n GLY 1055N 1.03 0.06 1.32 1.37 0.00 -0.85 -4.41 105.19 103.71 1r27 n GLY 1055Ca 0.24 -0.41 -0.02 0.00 0.00 0.00 0.00 46.02 45.83 1r27 n GLY 1055CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1r27 n GLU 1056N -2.17 1.71 0.20 1.61 1.02 -0.13 -4.69 120.64 118.19 1r27 n GLU 1056Ca -0.13 -3.24 0.07 0.00 -0.02 0.00 0.00 57.16 53.83 1r27 n GLU 1056Cb 0.58 -1.42 0.37 0.00 -0.02 0.00 0.00 31.44 30.94 1r27 n GLU 1056CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 1r27 h SER 1057N 1.42 0.00 -4.67 1.62 4.64 -1.70 -3.42 113.55 111.44 1r27 h SER 1057Ca 0.02 0.00 -0.22 0.00 -0.47 0.00 0.00 61.79 61.12 1r27 h SER 1057Cb 1.33 0.00 -0.16 0.00 -0.31 0.00 0.00 62.40 63.27 1r27 h SER 1057CO 0.21 0.33 -0.70 -0.76 -0.87 0.00 0.00 176.83 175.03 1r27 s LEU 1058N -6.98 2.48 0.16 5.97 1.43 -1.26 -0.69 118.68 119.78 1r27 s LEU 1058Ca 0.00 -0.95 -0.32 0.00 -1.03 0.00 0.00 54.13 51.84 1r27 s LEU 1058Cb 0.11 -0.07 -0.11 0.00 0.03 0.00 0.00 46.19 46.15 1r27 s LEU 1058CO 0.67 -0.44 1.80 -0.11 0.23 0.00 0.00 176.35 178.50 1r27 n LEU 1059N 0.16 4.04 -3.79 1.79 7.94 -1.26 -5.00 117.00 120.89 1r27 n LEU 1059Ca -0.14 1.01 -0.13 0.00 -1.11 0.00 0.00 56.01 55.65 1r27 n LEU 1059Cb 0.60 -1.56 -0.11 0.00 0.53 0.00 0.00 43.42 42.88 1r27 n LEU 1059CO 0.29 0.19 -0.06 0.68 -1.11 0.00 0.00 177.39 177.37 1r27 s VAL 1060N 2.14 0.02 0.25 1.96 -7.23 -1.26 -4.98 120.40 111.30 1r27 s VAL 1060Ca 0.79 -0.19 -0.30 0.00 -1.81 0.00 0.00 61.98 60.48 1r27 s VAL 1060Cb -0.49 -0.43 -0.09 0.00 0.56 0.00 0.00 36.38 35.93 1r27 s VAL 1060CO 0.35 -0.10 1.34 -0.47 -0.31 0.00 0.00 175.10 175.91 1r27 s TYR 1061N -0.35 3.16 -0.14 2.82 5.04 -1.26 -4.87 117.35 121.75 1r27 s TYR 1061Ca -0.05 1.23 -0.04 0.00 -2.44 0.00 0.00 57.07 55.78 1r27 s TYR 1061Cb -0.03 -3.67 0.05 0.00 0.35 0.00 0.00 41.96 38.66 1r27 s TYR 1061CO 0.01 -2.03 0.07 1.03 -1.34 0.00 0.00 175.55 173.29 1r27 s ARG 1062N -0.62 0.15 0.81 4.97 0.52 -1.26 -4.16 118.95 119.35 1r27 s ARG 1062Ca 0.55 -0.01 -0.13 0.00 -0.52 0.00 0.00 55.73 55.63 1r27 s ARG 1062Cb -0.38 -1.50 0.08 0.00 0.52 0.00 0.00 34.95 33.67 1r27 s ARG 1062CO 0.43 -0.56 1.18 -1.25 0.02 0.00 0.00 175.30 175.12 1r27 s PRO 1063N 2.09 1.70 0.44 3.54 0.04 -1.26 -4.89 135.00 136.66 1r27 s PRO 1063Ca 0.02 1.64 -0.24 0.00 0.04 0.00 0.00 61.00 62.47 1r27 s PRO 1063Cb -0.15 -1.79 -0.10 0.00 0.04 0.00 0.00 34.50 32.50 1r27 s PRO 1063CO -0.07 -2.14 1.02 -2.30 0.04 0.00 0.00 177.00 173.55 1r27 n PRO 1064N -3.37 1.34 -1.83 0.56 -0.02 -1.26 -4.95 135.00 125.47 1r27 n PRO 1064Ca 0.13 0.48 -0.31 0.00 -2.02 0.00 0.00 63.50 61.78 1r27 n PRO 1064Cb 0.51 -2.07 0.02 0.00 -0.02 0.00 0.00 33.50 31.94 1r27 n PRO 1064CO 0.00 0.00 0.00 0.96 1.98 0.00 0.00 175.50 178.44 1r27 s ILE 1065N -1.30 4.50 -0.41 4.25 -4.36 -1.26 -4.60 121.20 118.02 1r27 s ILE 1065Ca 0.64 0.85 -0.17 0.00 -0.26 0.00 0.00 60.65 61.71 1r27 s ILE 1065Cb -0.54 -3.72 0.02 0.00 1.25 0.00 0.00 42.46 39.46 1r27 s ILE 1065CO 0.56 -1.02 0.44 -0.62 0.24 0.00 0.00 174.94 174.53 1r27 s ASP 1066N -3.96 6.20 0.31 4.36 -1.08 -1.26 -4.88 116.67 116.36 1r27 s ASP 1066Ca 0.56 -0.56 0.26 0.00 -0.52 0.00 0.00 52.55 52.29 1r27 s ASP 1066Cb -0.12 -2.23 0.78 0.00 -1.46 0.00 0.00 42.92 39.90 1r27 s ASP 1066CO 0.52 -0.55 1.75 0.71 0.52 0.00 0.00 175.17 178.12 1r27 h THR 1067N 5.70 0.00 -5.34 1.71 1.35 -1.95 -3.46 112.91 110.92 1r27 h THR 1067Ca -0.27 -0.56 -0.41 0.00 -0.55 0.00 0.00 66.41 64.62 1r27 h THR 1067Cb 1.12 1.51 0.04 0.00 -1.73 0.00 0.00 68.15 69.09 1r27 h THR 1067CO 0.78 0.00 -0.65 0.54 -0.25 0.00 0.00 175.52 175.94 1r27 n ARG 1068N -2.54 -5.58 -0.24 4.72 1.74 -1.26 -4.75 116.66 108.76 1r27 n ARG 1068Ca 0.04 0.76 0.12 0.00 -0.77 0.00 0.00 57.85 58.00 1r27 n ARG 1068Cb 0.41 -5.66 0.26 0.00 -1.02 0.00 0.00 32.46 26.45 1r27 n ARG 1068CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98 1r27 n SER 1069N -2.67 3.43 -0.04 0.55 3.41 -1.26 -4.61 113.62 112.43 1r27 n SER 1069Ca -0.04 -1.98 -0.08 0.00 -0.26 0.00 0.00 58.87 56.52 1r27 n SER 1069Cb 0.57 -0.31 -0.04 0.00 -0.26 0.00 0.00 64.21 64.17 1r27 n SER 1069CO 0.00 0.00 0.00 0.52 -0.16 0.00 0.00 175.04 175.40 1r27 n VAL 1070N 1.43 0.50 -0.13 -3.33 0.31 -1.26 -1.22 118.33 114.63 1r27 n VAL 1070Ca 0.21 -0.16 0.11 0.00 -0.01 0.00 0.00 64.34 64.48 1r27 n VAL 1070Cb 0.58 -1.16 0.45 0.00 -0.91 0.00 0.00 33.84 32.80 1r27 n VAL 1070CO 0.00 0.00 0.00 0.07 -1.32 0.00 0.00 176.83 175.58 1r27 h LYS 1071N -0.14 0.52 0.00 5.55 2.10 -1.96 -0.84 116.57 121.80 1r27 h LYS 1071Ca -0.21 -0.03 0.00 0.00 -2.00 0.00 0.00 60.65 58.41 1r27 h LYS 1071Cb 1.26 -0.12 0.00 0.00 -0.90 0.00 0.00 32.23 32.47 1r27 h LYS 1071CO -0.08 0.34 0.00 0.39 -2.00 0.00 0.00 179.45 178.11 1r27 n GLU 1072N -4.48 0.41 0.00 0.07 -0.58 -1.26 -4.12 120.64 110.67 1r27 n GLU 1072Ca 0.11 0.03 0.00 0.00 -0.42 0.00 0.00 57.16 56.88 1r27 n GLU 1072Cb 0.35 -1.50 0.00 0.00 -0.57 0.00 0.00 31.44 29.72 1r27 n GLU 1072CO 0.00 0.00 0.00 1.33 -0.48 0.00 0.00 177.13 177.98 1r27 n VAL 1073N -1.27 0.00 -1.71 2.62 0.24 -0.74 -4.91 118.33 112.55 1r27 n VAL 1073Ca 0.13 0.00 -0.42 0.00 -2.04 0.00 0.00 64.34 62.01 1r27 n VAL 1073Cb 0.20 0.17 -0.03 0.00 -1.47 0.00 0.00 33.84 32.72 1r27 n VAL 1073CO 0.00 0.00 0.00 -0.51 -2.14 0.00 0.00 176.83 174.18 1r27 s ILE 1074N -1.08 2.74 0.00 1.34 2.07 -0.40 -1.59 121.20 124.28 1r27 s ILE 1074Ca 0.00 0.07 0.00 0.00 -1.41 0.00 0.00 60.65 59.31 1r27 s ILE 1074Cb 0.00 -3.04 0.00 0.00 0.13 0.00 0.00 42.46 39.55 1r27 s ILE 1074CO 0.00 -0.00 0.00 0.61 -1.91 0.00 0.00 174.94 173.64 1r27 n GLY 1075N 4.33 0.85 0.18 1.50 0.00 -1.26 -4.93 105.19 105.86 1r27 n GLY 1075Ca 0.18 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.28 1r27 n GLY 1075CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 1r27 h GLN 1076N 3.05 0.00 -1.82 1.61 1.08 -1.65 -3.36 115.11 114.02 1r27 h GLN 1076Ca 0.00 0.00 -0.48 0.00 -1.45 0.00 0.00 58.65 56.72 1r27 h GLN 1076Cb 0.00 0.00 -0.40 0.00 -0.05 0.00 0.00 27.48 27.03 1r27 h GLN 1076CO 0.00 0.25 -1.09 1.63 -0.95 0.00 0.00 178.83 178.67 1r27 n LYS 1077N -3.16 1.49 -1.70 1.46 5.02 -1.26 -5.12 118.16 114.89 1r27 n LYS 1077Ca 0.03 -3.65 -0.40 0.00 -2.02 0.00 0.00 58.31 52.27 1r27 n LYS 1077Cb 0.63 -1.73 0.02 0.00 -0.02 0.00 0.00 35.03 33.93 1r27 n LYS 1077CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 1r27 n SER 1078N 0.09 2.46 -0.27 4.39 2.88 -1.26 -4.91 113.62 117.00 1r27 n SER 1078Ca 0.23 1.08 0.03 0.00 -1.33 0.00 0.00 58.87 58.88 1r27 n SER 1078Cb 0.65 -1.50 0.08 0.00 -0.75 0.00 0.00 64.21 62.69 1r27 n SER 1078CO 0.00 0.00 0.00 -0.46 -1.23 0.00 0.00 175.04 173.35 1r27 n ASN 1079N 0.04 2.44 0.00 -3.46 6.94 -1.26 -4.96 115.26 115.00 1r27 n ASN 1079Ca 0.07 -2.13 0.00 0.00 -0.02 0.00 0.00 54.58 52.50 1r27 n ASN 1079Cb 0.40 -0.14 0.00 0.00 -2.36 0.00 0.00 39.78 37.69 1r27 n ASN 1079CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1r27 n GLY 1080N -0.22 0.81 3.82 4.83 0.00 -1.26 -4.85 105.19 108.31 1r27 n GLY 1080Ca 0.06 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.79 1r27 n GLY 1080CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1r27 s ASN 1081N -2.54 5.72 0.30 1.61 0.01 -1.26 -4.85 114.94 113.93 1r27 s ASN 1081Ca 0.00 0.01 -0.30 0.00 -0.71 0.00 0.00 52.86 51.86 1r27 s ASN 1081Cb 0.00 -1.58 -0.12 0.00 0.41 0.00 0.00 41.25 39.96 1r27 s ASN 1081CO 0.00 0.13 1.44 1.67 -1.51 0.00 0.00 177.10 178.83 1r27 n GLN 1082N 0.08 2.33 -4.35 -0.60 -0.06 -1.26 -4.92 117.38 108.60 1r27 n GLN 1082Ca -0.08 0.83 -0.25 0.00 -2.00 0.00 0.00 57.00 55.49 1r27 n GLN 1082Cb 0.53 -2.51 -0.09 0.00 -4.06 0.00 0.00 30.24 24.10 1r27 n GLN 1082CO 0.00 0.00 0.00 -1.21 -0.20 0.00 0.00 177.06 175.65 1r27 s GLU 1083N -1.03 1.92 -0.23 3.69 2.02 -1.26 -4.43 118.70 119.39 1r27 s GLU 1083Ca 0.62 -1.45 -0.20 0.00 0.02 0.00 0.00 54.97 53.95 1r27 s GLU 1083Cb -0.56 -2.02 0.06 0.00 0.10 0.00 0.00 34.13 31.71 1r27 s GLU 1083CO 0.54 0.39 0.61 0.21 0.02 0.00 0.00 175.26 177.03 1r27 s LYS 1084N -3.11 0.69 -0.04 1.61 2.20 -0.93 -4.95 119.74 115.20 1r27 s LYS 1084Ca 0.26 0.87 -0.25 0.00 -0.36 0.00 0.00 55.97 56.50 1r27 s LYS 1084Cb -0.07 0.31 -0.04 0.00 -1.51 0.00 0.00 37.83 36.52 1r27 s LYS 1084CO 0.15 -0.09 0.77 0.00 -0.36 0.00 0.00 175.35 175.81 1r27 s ALA 1085N 0.48 3.30 0.04 3.13 0.00 -1.26 -0.78 121.76 126.67 1r27 s ALA 1085Ca -0.01 0.23 0.00 0.00 0.00 0.00 0.00 51.96 52.18 1r27 s ALA 1085Cb -0.04 -3.04 -0.03 0.00 0.00 0.00 0.00 23.12 20.00 1r27 s ALA 1085CO -0.02 -0.12 -0.04 -0.51 0.00 0.00 0.00 175.76 175.08 1r27 s LEU 1086N 0.78 2.35 -0.00 0.00 1.43 0.50 -4.94 118.68 118.79 1r27 s LEU 1086Ca 0.41 -0.72 -0.30 0.00 -1.03 0.00 0.00 54.13 52.49 1r27 s LEU 1086Cb -0.19 0.09 -0.05 0.00 0.03 0.00 0.00 46.19 46.07 1r27 s LEU 1086CO 0.21 -0.40 1.34 0.21 0.23 0.00 0.00 176.35 177.93 1r27 s ASN 1087N -2.10 6.91 -0.53 2.29 3.04 -0.81 -0.37 114.94 123.38 1r27 s ASN 1087Ca -0.05 2.05 -0.16 0.00 0.04 0.00 0.00 52.86 54.73 1r27 s ASN 1087Cb -0.03 -2.56 0.11 0.00 -1.54 0.00 0.00 41.25 37.23 1r27 s ASN 1087CO -0.04 -0.67 0.50 0.12 -3.04 0.00 0.00 177.10 173.97 1r27 s PHE 1088N 2.19 3.21 -0.06 0.43 5.36 0.25 -0.95 117.98 128.41 1r27 s PHE 1088Ca 0.62 -1.12 -0.04 0.00 -0.96 0.00 0.00 56.93 55.43 1r27 s PHE 1088Cb -0.30 -3.64 -0.04 0.00 -0.34 0.00 0.00 43.02 38.70 1r27 s PHE 1088CO 0.26 -0.99 0.13 -0.51 -1.46 0.00 0.00 175.22 172.64 1r27 s LEU 1089N 1.78 4.20 -0.53 6.12 1.43 -0.32 -4.56 118.68 126.80 1r27 s LEU 1089Ca 0.05 0.33 0.07 0.00 -1.03 0.00 0.00 54.13 53.55 1r27 s LEU 1089Cb -0.27 -2.25 0.33 0.00 0.03 0.00 0.00 46.19 44.03 1r27 s LEU 1089CO 0.05 0.33 0.87 0.35 0.23 0.00 0.00 176.35 178.18 1r27 n THR 1090N 1.53 2.14 -0.98 5.49 -2.24 -1.26 -1.47 114.28 117.49 1r27 n THR 1090Ca -0.16 -5.27 -0.32 0.00 -2.27 0.00 0.00 64.05 56.03 1r27 n THR 1090Cb 0.54 -1.21 0.13 0.00 -2.10 0.00 0.00 70.33 67.69 1r27 n THR 1090CO 0.00 0.00 0.00 -2.16 -0.57 0.00 0.00 175.07 172.34 1r27 s PRO 1091N -3.07 1.53 0.13 -0.78 0.04 -1.26 -3.93 135.00 127.65 1r27 s PRO 1091Ca 0.46 1.51 -0.30 0.00 0.04 0.00 0.00 61.00 62.70 1r27 s PRO 1091Cb 0.28 -1.79 -0.07 0.00 0.04 0.00 0.00 34.50 32.97 1r27 s PRO 1091CO -0.11 -2.24 1.15 -1.01 0.04 0.00 0.00 177.00 174.82 1r27 s HIS 1092N -2.57 3.51 0.77 0.56 3.76 -1.26 0.37 115.29 120.42 1r27 s HIS 1092Ca 0.67 1.46 -0.12 0.00 -0.15 0.00 0.00 55.06 56.92 1r27 s HIS 1092Cb -0.23 -3.35 0.06 0.00 1.11 0.00 0.00 32.58 30.17 1r27 s HIS 1092CO 0.55 -0.95 1.12 1.14 -0.85 0.00 0.00 174.74 175.74 1r27 s GLN 1093N 0.27 2.15 0.24 1.40 -2.07 -1.25 -4.77 119.66 115.62 1r27 s GLN 1093Ca 0.54 1.34 0.22 0.00 -1.82 0.00 0.00 55.36 55.63 1r27 s GLN 1093Cb -0.30 -1.87 0.06 0.00 -1.09 0.00 0.00 33.01 29.81 1r27 s GLN 1093CO 0.33 -1.75 1.16 -0.22 -1.32 0.00 0.00 175.29 173.49 1r27 h LYS 1094N -0.93 0.00 -1.12 9.60 3.64 -1.94 -3.38 116.57 122.43 1r27 h LYS 1094Ca -0.44 0.00 -0.63 0.00 -1.27 0.00 0.00 60.65 58.31 1r27 h LYS 1094Cb 1.25 0.00 -0.36 0.00 -0.41 0.00 0.00 32.23 32.71 1r27 h LYS 1094CO 0.50 0.05 0.01 0.91 -2.27 0.00 0.00 179.45 178.66 1r27 n TRP 1095N -2.82 3.05 0.00 1.91 7.02 -1.26 -4.88 117.44 120.46 1r27 n TRP 1095Ca -0.00 -2.64 0.00 0.00 -1.02 0.00 0.00 57.50 53.83 1r27 n TRP 1095Cb 0.58 -0.78 0.00 0.00 -2.42 0.00 0.00 31.31 28.69 1r27 n TRP 1095CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 1r27 n GLY 1096N -0.72 2.00 3.11 6.99 0.00 -1.26 -4.28 105.19 111.04 1r27 n GLY 1096Ca 0.51 -0.96 -0.35 0.00 0.00 0.00 0.00 46.02 45.21 1r27 n GLY 1096CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1r27 s ILE 1097N -2.00 3.15 0.00 -0.61 -1.09 -0.54 -4.68 121.20 115.43 1r27 s ILE 1097Ca 0.00 -2.02 0.00 0.00 -2.23 0.00 0.00 60.65 56.40 1r27 s ILE 1097Cb 0.00 -3.15 0.00 0.00 -1.58 0.00 0.00 42.46 37.73 1r27 s ILE 1097CO 0.00 -0.63 0.00 1.41 -1.23 0.00 0.00 174.94 174.49 1r27 n HIS 1098N 4.56 0.00 0.78 3.97 8.25 -1.26 -1.82 115.22 129.70 1r27 n HIS 1098Ca -0.03 0.00 0.11 0.00 -0.26 0.00 0.00 57.72 57.55 1r27 n HIS 1098Cb 0.42 0.01 0.10 0.00 1.12 0.00 0.00 29.99 31.63 1r27 n HIS 1098CO 0.00 0.00 0.00 -1.13 0.64 0.00 0.00 176.34 175.85 1r27 n SER 1099N 4.57 0.63 -4.77 0.41 3.41 -1.24 -4.49 113.62 112.16 1r27 n SER 1099Ca 0.00 -0.30 -0.41 0.00 -0.26 0.00 0.00 58.87 57.90 1r27 n SER 1099Cb 0.00 0.56 -0.02 0.00 -0.26 0.00 0.00 64.21 64.50 1r27 n SER 1099CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 1r27 s THR 1100N -3.10 2.49 0.00 6.66 2.01 -0.76 -1.31 115.64 121.64 1r27 s THR 1100Ca 0.07 0.48 0.00 0.00 0.31 0.00 0.00 61.69 62.55 1r27 s THR 1100Cb 0.16 -3.30 0.00 0.00 0.01 0.00 0.00 72.50 69.36 1r27 s THR 1100CO 0.77 0.11 0.00 -1.22 -0.69 0.00 0.00 174.62 173.58 1r27 n TYR 1101N 1.01 0.00 -0.14 4.92 4.01 -1.26 -1.47 117.16 124.23 1r27 n TYR 1101Ca 0.02 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.76 1r27 n TYR 1101Cb 0.41 -0.09 0.27 0.00 -0.31 0.00 0.00 39.34 39.61 1r27 n TYR 1101CO 0.00 0.00 0.00 0.66 -0.46 0.00 0.00 176.86 177.06 1r27 h SER 1102N 0.00 0.74 0.16 7.72 4.64 -1.38 -1.85 113.55 123.58 1r27 h SER 1102Ca 0.00 -0.06 0.00 0.00 -0.47 0.00 0.00 61.79 61.26 1r27 h SER 1102Cb 0.00 -0.19 0.00 0.00 -0.31 0.00 0.00 62.40 61.90 1r27 h SER 1102CO 0.00 0.61 -0.17 -0.90 -0.87 0.00 0.00 176.83 175.50 1r27 n ASP 1103N -4.38 1.16 -4.67 4.97 5.75 -1.26 -4.59 116.55 113.53 1r27 n ASP 1103Ca 0.06 -1.08 -0.42 0.00 -0.01 0.00 0.00 54.79 53.33 1r27 n ASP 1103Cb 0.11 0.08 -0.03 0.00 -1.03 0.00 0.00 41.12 40.25 1r27 n ASP 1103CO 0.00 0.00 0.00 0.21 -0.11 0.00 0.00 177.20 177.30 1r27 s ASN 1104N -2.33 6.72 0.39 -1.12 3.84 -0.70 -4.91 114.94 116.82 1r27 s ASN 1104Ca 0.29 2.20 0.12 0.00 0.21 0.00 0.00 52.86 55.68 1r27 s ASN 1104Cb 0.20 -2.54 0.92 0.00 -0.55 0.00 0.00 41.25 39.28 1r27 s ASN 1104CO 0.46 -0.86 1.89 0.25 -2.79 0.00 0.00 177.10 176.04 1r27 h LEU 1105N 9.55 0.54 -0.40 3.21 5.85 -1.90 -0.62 115.31 131.55 1r27 h LEU 1105Ca -0.38 0.03 -0.04 0.00 0.84 0.00 0.00 57.88 58.34 1r27 h LEU 1105Cb 1.17 -0.07 -0.02 0.00 0.37 0.00 0.00 40.66 42.12 1r27 h LEU 1105CO 0.94 0.27 0.10 -0.07 -0.34 0.00 0.00 178.44 179.35 1r27 h LEU 1106N 0.57 0.59 -0.54 2.25 3.38 -1.93 -0.47 115.31 119.15 1r27 h LEU 1106Ca 0.42 -0.22 -0.10 0.00 0.09 0.00 0.00 57.88 58.07 1r27 h LEU 1106Cb 0.80 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 41.38 1r27 h LEU 1106CO -0.17 0.66 -0.05 0.24 0.09 0.00 0.00 178.44 179.22 1r27 h MET 1107N 0.50 0.99 -0.27 1.13 2.86 -1.52 -1.77 114.93 116.85 1r27 h MET 1107Ca 0.13 -0.34 -0.08 0.00 -2.06 0.00 0.00 59.70 57.35 1r27 h MET 1107Cb 0.29 -0.08 -0.02 0.00 0.06 0.00 0.00 31.60 31.86 1r27 h MET 1107CO -0.00 1.01 -0.16 -0.07 1.06 0.00 0.00 176.91 178.75 1r27 h LEU 1108N 0.86 0.46 -0.43 1.22 3.38 -1.02 -0.49 115.31 119.28 1r27 h LEU 1108Ca 0.15 -0.13 -0.18 0.00 0.09 0.00 0.00 57.88 57.81 1r27 h LEU 1108Cb 0.60 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.22 1r27 h LEU 1108CO 0.04 0.64 -0.75 0.74 0.09 0.00 0.00 178.44 179.20 1r27 h THR 1109N 0.43 1.43 0.00 0.22 2.02 -0.86 -0.28 112.91 115.87 1r27 h THR 1109Ca 0.08 -2.29 0.00 0.00 0.77 0.00 0.00 66.41 64.96 1r27 h THR 1109Cb 0.53 2.23 0.00 0.00 -1.74 0.00 0.00 68.15 69.17 1r27 h THR 1109CO 0.03 0.68 -0.33 -0.07 0.37 0.00 0.00 175.52 176.20 1r27 h LEU 1110N 0.17 0.00 0.00 2.58 3.38 -1.14 -3.45 115.31 116.85 1r27 h LEU 1110Ca -0.03 -0.06 0.00 0.00 0.09 0.00 0.00 57.88 57.88 1r27 h LEU 1110Cb 1.33 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.08 1r27 h LEU 1110CO 0.12 0.03 0.00 0.61 0.09 0.00 0.00 178.44 179.29 1r27 n GLY 1111N 1.25 1.42 0.96 0.83 0.00 -0.21 -4.99 105.19 104.45 1r27 n GLY 1111Ca 0.04 -1.37 0.04 0.00 0.00 0.00 0.00 46.02 44.72 1r27 n GLY 1111CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1r27 n ARG 1112N 0.00 2.46 -1.98 1.61 5.12 -1.25 -4.97 116.66 117.65 1r27 n ARG 1112Ca 0.00 -2.95 -0.15 0.00 -1.93 0.00 0.00 57.85 52.83 1r27 n ARG 1112Cb 0.00 -1.83 -0.03 0.00 -1.16 0.00 0.00 32.46 29.45 1r27 n ARG 1112CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1r27 n GLY 1113N -0.78 0.37 0.00 -0.13 0.00 -0.13 -4.89 105.19 99.64 1r27 n GLY 1113Ca 0.26 -0.29 0.00 0.00 0.00 0.00 0.00 46.02 45.99 1r27 n GLY 1113CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1r27 n GLY 1114N -1.07 1.48 3.61 -0.02 0.00 -1.26 -4.86 105.19 103.07 1r27 n GLY 1114Ca -0.16 -1.80 -0.60 0.00 0.00 0.00 0.00 46.02 43.45 1r27 n GLY 1114CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1r27 n PRO 1115N -1.87 0.60 -4.16 1.61 -0.02 -1.26 -4.93 135.00 124.97 1r27 n PRO 1115Ca 0.00 0.21 -0.10 0.00 -2.02 0.00 0.00 63.50 61.59 1r27 n PRO 1115Cb 0.00 -1.87 -0.10 0.00 -0.02 0.00 0.00 33.50 31.51 1r27 n PRO 1115CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 1r27 s VAL 1116N 4.30 0.51 -0.02 -1.45 -7.23 -1.26 -1.76 120.40 113.49 1r27 s VAL 1116Ca 1.06 -1.91 0.02 0.00 -1.81 0.00 0.00 61.98 59.33 1r27 s VAL 1116Cb -1.25 -1.77 0.01 0.00 0.56 0.00 0.00 36.38 33.93 1r27 s VAL 1116CO 0.69 -0.78 -0.06 -0.69 -0.31 0.00 0.00 175.10 173.95 1r27 s VAL 1117N -3.75 0.51 0.02 1.32 1.01 -0.34 -4.55 120.40 114.63 1r27 s VAL 1117Ca 0.14 -0.21 -0.20 0.00 0.00 0.00 0.00 61.98 61.71 1r27 s VAL 1117Cb 0.06 -0.47 -0.06 0.00 0.00 0.00 0.00 36.38 35.91 1r27 s VAL 1117CO -0.04 0.17 0.57 0.26 0.00 0.00 0.00 175.10 176.06 1r27 s TRP 1118N 0.25 3.72 0.06 5.22 0.52 0.49 -0.33 118.94 128.87 1r27 s TRP 1118Ca -0.03 1.20 0.03 0.00 0.02 0.00 0.00 56.10 57.32 1r27 s TRP 1118Cb -0.07 -2.54 -0.03 0.00 -1.15 0.00 0.00 33.47 29.68 1r27 s TRP 1118CO -0.00 0.45 -0.10 -0.51 0.02 0.00 0.00 176.95 176.81 1r27 s LEU 1119N -0.55 2.28 0.70 2.99 1.43 -0.01 -2.06 118.68 123.46 1r27 s LEU 1119Ca 0.29 -0.61 -0.11 0.00 -1.03 0.00 0.00 54.13 52.67 1r27 s LEU 1119Cb -0.18 -0.29 0.01 0.00 0.03 0.00 0.00 46.19 45.75 1r27 s LEU 1119CO 0.17 -0.17 1.06 -0.94 0.23 0.00 0.00 176.35 176.70 1r27 s SER 1120N -1.76 5.33 0.34 2.29 1.04 -1.26 -1.46 113.70 118.22 1r27 s SER 1120Ca -0.05 1.65 0.08 0.00 0.48 0.00 0.00 55.95 58.10 1r27 s SER 1120Cb -0.09 -2.50 0.60 0.00 0.10 0.00 0.00 66.02 64.13 1r27 s SER 1120CO 0.01 -1.48 1.80 -0.33 0.98 0.00 0.00 173.24 174.22 1r27 h GLU 1121N -0.69 0.23 0.39 4.02 5.08 -1.77 -1.68 114.58 120.16 1r27 h GLU 1121Ca -0.44 -0.08 -0.02 0.00 -1.00 0.00 0.00 59.36 57.82 1r27 h GLU 1121Cb 1.21 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 30.45 1r27 h GLU 1121CO 0.56 0.51 -0.19 0.00 -1.00 0.00 0.00 179.01 178.89 1r27 h ALA 1122N 1.50 -0.53 -0.73 3.43 0.00 -1.91 -0.92 119.26 120.10 1r27 h ALA 1122Ca 0.03 -0.18 -0.00 0.00 0.00 0.00 0.00 54.91 54.76 1r27 h ALA 1122Cb 0.62 0.20 -0.04 0.00 0.00 0.00 0.00 17.79 18.58 1r27 h ALA 1122CO 0.05 -0.67 0.44 -0.44 0.00 0.00 0.00 179.25 178.63 1r27 h ASP 1123N -0.79 0.87 0.28 0.00 3.32 -1.94 -2.13 116.42 116.03 1r27 h ASP 1123Ca -0.05 -0.05 -0.01 0.00 0.02 0.00 0.00 57.03 56.93 1r27 h ASP 1123Cb 0.53 -0.22 0.00 0.00 0.22 0.00 0.00 39.33 39.86 1r27 h ASP 1123CO 0.09 0.67 -0.13 0.00 -1.72 0.00 0.00 179.24 178.15 1r27 h ALA 1124N 1.48 -0.37 -0.81 3.45 0.00 -1.22 -1.92 119.26 119.87 1r27 h ALA 1124Ca 0.26 -0.08 0.10 0.00 0.00 0.00 0.00 54.91 55.19 1r27 h ALA 1124Cb -0.04 0.14 -0.07 0.00 0.00 0.00 0.00 17.79 17.82 1r27 h ALA 1124CO -0.05 -0.70 0.45 -0.22 0.00 0.00 0.00 179.25 178.73 1r27 h LYS 1125N -0.38 0.73 -0.07 0.00 3.64 -0.81 0.29 116.57 119.97 1r27 h LYS 1125Ca -0.04 -0.04 -0.05 0.00 -1.27 0.00 0.00 60.65 59.25 1r27 h LYS 1125Cb 0.29 -0.16 -0.01 0.00 -0.41 0.00 0.00 32.23 31.94 1r27 h LYS 1125CO 0.06 0.48 -0.17 -0.44 -2.27 0.00 0.00 179.45 177.11 1r27 h ASP 1126N 0.75 0.10 0.14 4.20 3.32 -1.14 -2.39 116.42 121.41 1r27 h ASP 1126Ca 0.40 -0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.43 1r27 h ASP 1126Cb 0.39 -0.03 0.00 0.00 0.22 0.00 0.00 39.33 39.91 1r27 h ASP 1126CO -0.26 0.29 -0.47 0.18 -1.72 0.00 0.00 179.24 177.26 1r27 n LEU 1127N -4.28 1.35 -1.70 1.55 4.77 -0.44 -4.95 117.00 113.30 1r27 n LEU 1127Ca -0.02 -0.46 -0.13 0.00 -0.03 0.00 0.00 56.01 55.38 1r27 n LEU 1127Cb 0.27 -0.07 0.01 0.00 -2.33 0.00 0.00 43.42 41.30 1r27 n LEU 1127CO 0.37 0.26 -0.06 0.61 -1.33 0.00 0.00 177.39 177.25 1r27 n GLY 1128N 1.41 -0.06 3.76 -0.72 0.00 0.91 -4.64 105.19 105.85 1r27 n GLY 1128Ca 0.09 -0.29 -0.35 0.00 0.00 0.00 0.00 46.02 45.46 1r27 n GLY 1128CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1r27 s ILE 1129N -2.80 5.43 0.27 -0.61 1.01 -0.48 -4.91 121.20 119.10 1r27 s ILE 1129Ca 0.11 0.20 0.07 0.00 0.00 0.00 0.00 60.65 61.04 1r27 s ILE 1129Cb -0.05 -3.46 -0.04 0.00 0.01 0.00 0.00 42.46 38.93 1r27 s ILE 1129CO 0.14 0.48 0.19 0.00 0.00 0.00 0.00 174.94 175.75 1r27 s ALA 1130N 0.05 3.58 0.17 9.38 0.00 -1.26 -4.51 121.76 129.18 1r27 s ALA 1130Ca 0.10 -1.48 -0.33 0.00 0.00 0.00 0.00 51.96 50.25 1r27 s ALA 1130Cb -0.11 -1.23 -0.14 0.00 0.00 0.00 0.00 23.12 21.63 1r27 s ALA 1130CO -0.01 0.22 1.47 -3.47 0.00 0.00 0.00 175.76 173.97 1r27 n ASP 1131N -1.18 2.68 -0.58 0.00 2.03 -1.26 -1.74 116.55 116.50 1r27 n ASP 1131Ca -0.07 1.11 -0.08 0.00 0.52 0.00 0.00 54.79 56.28 1r27 n ASP 1131Cb 0.58 -1.38 -0.03 0.00 -0.72 0.00 0.00 41.12 39.57 1r27 n ASP 1131CO 0.00 0.00 0.00 -3.20 -1.92 0.00 0.00 177.20 172.08 1r27 n ASN 1132N 2.83 -4.02 -4.80 1.67 5.15 0.11 -4.96 115.26 111.23 1r27 n ASN 1132Ca 0.15 0.19 -0.35 0.00 -0.60 0.00 0.00 54.58 53.97 1r27 n ASN 1132Cb 0.28 -2.19 -0.06 0.00 -0.53 0.00 0.00 39.78 37.27 1r27 n ASN 1132CO 0.00 0.00 0.00 -1.81 1.40 0.00 0.00 177.26 176.85 1r27 s ASP 1133N -2.82 7.10 0.04 1.20 1.11 -0.71 -4.57 116.67 118.01 1r27 s ASP 1133Ca 0.00 1.78 -0.30 0.00 0.18 0.00 0.00 52.55 54.21 1r27 s ASP 1133Cb 0.00 -2.56 -0.05 0.00 1.07 0.00 0.00 42.92 41.38 1r27 s ASP 1133CO 0.00 -0.24 1.22 0.26 1.18 0.00 0.00 175.17 177.59 1r27 s TRP 1134N -1.88 3.35 0.28 4.23 0.52 -1.26 -0.53 118.94 123.65 1r27 s TRP 1134Ca 0.56 1.24 0.04 0.00 0.02 0.00 0.00 56.10 57.97 1r27 s TRP 1134Cb -0.14 -3.44 -0.06 0.00 -1.15 0.00 0.00 33.47 28.67 1r27 s TRP 1134CO 0.19 -1.39 0.00 0.96 0.02 0.00 0.00 176.95 176.73 1r27 s ILE 1135N 1.33 1.26 -0.02 2.03 -4.36 0.10 -1.09 121.20 120.45 1r27 s ILE 1135Ca 0.59 -2.05 0.03 0.00 -0.26 0.00 0.00 60.65 58.96 1r27 s ILE 1135Cb -0.29 -2.54 -0.00 0.00 1.25 0.00 0.00 42.46 40.87 1r27 s ILE 1135CO 0.28 -0.19 -0.11 -0.70 0.24 0.00 0.00 174.94 174.45 1r27 s GLU 1136N -3.84 1.03 -0.07 0.37 2.12 -0.41 -2.19 118.70 115.71 1r27 s GLU 1136Ca 0.32 -0.40 0.03 0.00 0.36 0.00 0.00 54.97 55.27 1r27 s GLU 1136Cb 0.06 -0.97 0.01 0.00 0.26 0.00 0.00 34.13 33.49 1r27 s GLU 1136CO 0.12 0.21 -0.14 0.08 -0.54 0.00 0.00 175.26 174.99 1r27 s VAL 1137N -0.09 1.25 0.25 3.70 1.01 -0.55 -2.30 120.40 123.66 1r27 s VAL 1137Ca 0.01 -0.55 -0.20 0.00 0.00 0.00 0.00 61.98 61.24 1r27 s VAL 1137Cb -0.07 -1.13 0.03 0.00 0.00 0.00 0.00 36.38 35.22 1r27 s VAL 1137CO 0.00 0.38 0.66 0.72 0.00 0.00 0.00 175.10 176.86 1r27 s PHE 1138N 0.60 -0.21 0.06 5.22 -0.12 -0.71 -0.68 117.98 122.14 1r27 s PHE 1138Ca -0.15 -0.19 -0.04 0.00 -0.05 0.00 0.00 56.93 56.50 1r27 s PHE 1138Cb -0.16 0.62 0.02 0.00 -0.63 0.00 0.00 43.02 42.87 1r27 s PHE 1138CO 0.04 -1.12 0.22 0.27 -0.05 0.00 0.00 175.22 174.57 1r27 n ASN 1139N -0.43 -0.44 0.12 1.98 0.23 -0.69 -0.62 115.26 115.42 1r27 n ASN 1139Ca -0.07 -1.26 0.08 0.00 -0.53 0.00 0.00 54.58 52.81 1r27 n ASN 1139Cb 0.61 0.71 0.42 0.00 -2.08 0.00 0.00 39.78 39.44 1r27 n ASN 1139CO 0.00 0.00 0.00 -1.54 -0.93 0.00 0.00 177.26 174.79 1r27 n SER 1140N -0.87 0.40 0.02 0.53 3.41 -0.36 -1.98 113.62 114.78 1r27 n SER 1140Ca -0.01 0.67 -0.05 0.00 -0.26 0.00 0.00 58.87 59.22 1r27 n SER 1140Cb 0.13 -0.72 -0.11 0.00 -0.26 0.00 0.00 64.21 63.26 1r27 n SER 1140CO 0.00 0.00 0.00 0.78 -0.16 0.00 0.00 175.04 175.66 1r27 h ASN 1141N 0.00 0.00 0.00 4.04 -0.26 -1.84 0.44 115.58 117.96 1r27 h ASN 1141Ca 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.74 1r27 h ASN 1141Cb 0.06 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.32 1r27 h ASN 1141CO 0.00 0.86 0.00 0.61 -1.06 0.00 0.00 177.43 177.84 1r27 n GLY 1142N 1.45 -1.05 3.15 2.83 0.00 -0.51 -4.09 105.19 106.97 1r27 n GLY 1142Ca -0.10 -1.18 -0.08 0.00 0.00 0.00 0.00 46.02 44.66 1r27 n GLY 1142CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1r27 s ALA 1143N -1.00 0.11 0.02 4.61 0.00 -1.26 -1.70 121.76 122.53 1r27 s ALA 1143Ca 0.00 -0.88 -0.06 0.00 0.00 0.00 0.00 51.96 51.02 1r27 s ALA 1143Cb 0.00 0.38 -0.01 0.00 0.00 0.00 0.00 23.12 23.50 1r27 s ALA 1143CO 0.00 -0.44 0.11 -0.48 0.00 0.00 0.00 175.76 174.95 1r27 s LEU 1144N -2.86 1.70 0.14 0.00 0.05 0.14 -1.57 118.68 116.27 1r27 s LEU 1144Ca 0.06 -0.37 0.09 0.00 0.05 0.00 0.00 54.13 53.96 1r27 s LEU 1144Cb 0.06 0.62 -0.04 0.00 -2.05 0.00 0.00 46.19 44.78 1r27 s LEU 1144CO -0.10 -0.43 -0.18 0.42 -0.55 0.00 0.00 176.35 175.50 1r27 s THR 1145N -1.95 2.79 0.03 5.48 -4.23 -1.26 -1.48 115.64 115.02 1r27 s THR 1145Ca -0.10 -1.60 -0.28 0.00 -1.18 0.00 0.00 61.69 58.53 1r27 s THR 1145Cb -0.05 -2.30 0.10 0.00 1.34 0.00 0.00 72.50 71.59 1r27 s THR 1145CO -0.01 0.04 1.23 0.00 -0.54 0.00 0.00 174.62 175.34 1r27 s ALA 1146N -1.28 -2.22 0.02 3.99 0.00 -0.93 -4.87 121.76 116.47 1r27 s ALA 1146Ca 0.19 0.11 0.02 0.00 0.00 0.00 0.00 51.96 52.28 1r27 s ALA 1146Cb -0.10 0.74 -0.04 0.00 0.00 0.00 0.00 23.12 23.72 1r27 s ALA 1146CO 0.10 -1.11 0.02 1.03 0.00 0.00 0.00 175.76 175.81 1r27 s ARG 1147N -2.18 2.81 0.40 0.00 0.52 -0.72 0.01 118.95 119.78 1r27 s ARG 1147Ca 0.24 -0.63 -0.18 0.00 -0.52 0.00 0.00 55.73 54.63 1r27 s ARG 1147Cb 0.00 -2.69 -0.10 0.00 0.52 0.00 0.00 34.95 32.69 1r27 s ARG 1147CO -0.00 0.61 0.87 0.00 0.02 0.00 0.00 175.30 176.80 1r27 s ALA 1148N -1.17 3.15 -0.26 2.13 0.00 0.31 -1.19 121.76 124.73 1r27 s ALA 1148Ca 0.22 0.25 0.01 0.00 0.00 0.00 0.00 51.96 52.44 1r27 s ALA 1148Cb -0.12 -3.00 0.07 0.00 0.00 0.00 0.00 23.12 20.07 1r27 s ALA 1148CO 0.13 0.18 -0.04 0.08 0.00 0.00 0.00 175.76 176.11 1r27 s VAL 1149N -2.14 1.64 -0.19 0.00 1.01 0.55 0.04 120.40 121.31 1r27 s VAL 1149Ca 0.59 -1.42 -0.17 0.00 0.00 0.00 0.00 61.98 60.97 1r27 s VAL 1149Cb -0.09 -1.95 -0.04 0.00 0.00 0.00 0.00 36.38 34.30 1r27 s VAL 1149CO 0.16 -0.20 0.47 -0.69 0.00 0.00 0.00 175.10 174.84 1r27 s VAL 1150N 1.32 5.15 -0.04 2.92 1.01 -1.26 -0.83 120.40 128.66 1r27 s VAL 1150Ca -0.03 0.87 -0.10 0.00 0.00 0.00 0.00 61.98 62.72 1r27 s VAL 1150Cb -0.19 -3.80 0.02 0.00 0.00 0.00 0.00 36.38 32.41 1r27 s VAL 1150CO -0.08 0.22 0.24 -0.55 0.00 0.00 0.00 175.10 174.93 1r27 s SER 1151N 1.04 -0.16 0.38 3.32 0.15 -0.53 -4.96 113.70 112.94 1r27 s SER 1151Ca 0.23 0.17 0.18 0.00 0.70 0.00 0.00 55.95 57.23 1r27 s SER 1151Cb -0.15 0.37 0.75 0.00 -1.71 0.00 0.00 66.02 65.27 1r27 s SER 1151CO 0.09 -0.28 1.78 -0.61 1.20 0.00 0.00 173.24 175.42 1r27 h GLN 1152N 4.76 0.00 0.00 5.44 4.15 -1.95 -3.07 115.11 124.44 1r27 h GLN 1152Ca -0.28 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.14 1r27 h GLN 1152Cb 1.19 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.88 1r27 h GLN 1152CO 0.38 0.36 0.00 2.89 -1.93 0.00 0.00 178.83 180.53 1r27 n ARG 1153N -3.64 0.10 -3.65 1.69 1.85 -1.26 -4.60 116.66 107.14 1r27 n ARG 1153Ca -0.01 0.20 -0.37 0.00 -1.00 0.00 0.00 57.85 56.67 1r27 n ARG 1153Cb 0.47 -1.50 -0.10 0.00 -1.05 0.00 0.00 32.46 30.29 1r27 n ARG 1153CO 0.00 0.00 0.00 0.08 -0.01 0.00 0.00 177.63 177.70 1r27 s VAL 1154N -2.79 5.36 0.36 8.89 1.01 -1.17 -2.44 120.40 129.62 1r27 s VAL 1154Ca 0.11 0.18 -0.26 0.00 0.00 0.00 0.00 61.98 62.01 1r27 s VAL 1154Cb 0.10 -3.50 -0.09 0.00 0.00 0.00 0.00 36.38 32.88 1r27 s VAL 1154CO 0.25 0.34 1.05 -2.16 0.00 0.00 0.00 175.10 174.58 1r27 s PRO 1155N 1.12 4.33 0.49 2.72 0.04 -1.26 -4.26 135.00 138.17 1r27 s PRO 1155Ca 0.08 1.57 -0.23 0.00 0.04 0.00 0.00 61.00 62.46 1r27 s PRO 1155Cb -0.14 -2.74 -0.08 0.00 0.04 0.00 0.00 34.50 31.58 1r27 s PRO 1155CO 0.05 -0.01 1.12 0.00 0.04 0.00 0.00 177.00 178.20 1r27 n ALA 1156N 0.33 0.69 0.00 8.56 0.00 -1.26 -2.87 120.51 125.95 1r27 n ALA 1156Ca 0.03 0.16 0.00 0.00 0.00 0.00 0.00 53.44 53.63 1r27 n ALA 1156Cb 0.48 -2.18 0.00 0.00 0.00 0.00 0.00 19.45 17.75 1r27 n ALA 1156CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1r27 n GLY 1157N 1.05 3.44 3.22 0.00 0.00 -1.26 -5.04 105.19 106.59 1r27 n GLY 1157Ca 0.10 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.91 1r27 n GLY 1157CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 1r27 s MET 1158N -0.88 0.96 0.07 1.61 0.23 -1.14 -1.93 119.30 118.23 1r27 s MET 1158Ca 0.00 -1.02 0.07 0.00 -1.03 0.00 0.00 55.69 53.70 1r27 s MET 1158Cb 0.00 -1.07 -0.03 0.00 -1.53 0.00 0.00 34.83 32.20 1r27 s MET 1158CO 0.00 0.25 -0.18 -0.08 -2.03 0.00 0.00 175.02 172.98 1r27 s THR 1159N -1.19 1.42 -0.15 3.16 -1.32 -0.13 -4.47 115.64 112.96 1r27 s THR 1159Ca 0.02 -1.31 -0.00 0.00 -1.21 0.00 0.00 61.69 59.18 1r27 s THR 1159Cb -0.10 -1.30 0.03 0.00 -1.51 0.00 0.00 72.50 69.63 1r27 s THR 1159CO 0.03 -0.05 -0.09 -0.04 -2.21 0.00 0.00 174.62 172.26 1r27 s MET 1160N -1.59 1.77 -0.46 7.08 -1.94 -0.87 -1.17 119.30 122.12 1r27 s MET 1160Ca 0.03 -0.50 -0.05 0.00 -1.71 0.00 0.00 55.69 53.47 1r27 s MET 1160Cb -0.09 -1.97 0.12 0.00 2.01 0.00 0.00 34.83 34.90 1r27 s MET 1160CO 0.03 -0.33 0.28 1.41 -0.01 0.00 0.00 175.02 176.40 1r27 s MET 1161N 1.58 2.22 0.16 2.03 1.75 -0.54 -0.38 119.30 126.13 1r27 s MET 1161Ca 0.03 -1.90 -0.34 0.00 -1.25 0.00 0.00 55.69 52.23 1r27 s MET 1161Cb -0.14 -3.71 -0.15 0.00 2.84 0.00 0.00 34.83 33.67 1r27 s MET 1161CO -0.09 -1.12 1.39 0.66 -0.65 0.00 0.00 175.02 175.21 1r27 n TYR 1162N 4.54 1.85 -1.66 4.11 4.01 -1.26 -4.37 117.16 124.38 1r27 n TYR 1162Ca -0.02 0.49 -0.50 0.00 -0.16 0.00 0.00 57.90 57.71 1r27 n TYR 1162Cb 0.41 -2.41 -0.05 0.00 -0.31 0.00 0.00 39.34 36.97 1r27 n TYR 1162CO 0.00 0.00 0.00 1.58 -0.46 0.00 0.00 176.86 177.98 1r27 n HIS 1163N 2.43 2.09 -2.37 -0.72 -0.00 0.16 -4.30 115.22 112.50 1r27 n HIS 1163Ca 0.16 0.32 -0.01 0.00 -0.00 0.00 0.00 57.72 58.18 1r27 n HIS 1163Cb 0.26 -2.52 0.00 0.00 -0.00 0.00 0.00 29.99 27.74 1r27 n HIS 1163CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 1r27 n ALA 1164N 4.31 -2.29 0.92 1.57 0.00 -1.26 -3.96 120.51 119.80 1r27 n ALA 1164Ca 0.20 0.16 0.10 0.00 0.00 0.00 0.00 53.44 53.90 1r27 n ALA 1164Cb 0.25 -1.18 -0.01 0.00 0.00 0.00 0.00 19.45 18.51 1r27 n ALA 1164CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1r27 n GLN 1165N -1.19 1.30 -1.13 0.00 6.02 -1.26 -3.62 117.38 117.49 1r27 n GLN 1165Ca 0.02 -0.90 0.15 0.00 -0.01 0.00 0.00 57.00 56.26 1r27 n GLN 1165Cb 0.44 -1.42 -0.04 0.00 1.02 0.00 0.00 30.24 30.24 1r27 n GLN 1165CO 0.00 0.00 0.00 -1.91 -1.01 0.00 0.00 177.06 174.14 1r27 n GLU 1166N -0.12 -2.28 -0.41 -1.09 2.13 -1.26 -4.73 120.64 112.88 1r27 n GLU 1166Ca 0.08 1.50 0.06 0.00 0.66 0.00 0.00 57.16 59.46 1r27 n GLU 1166Cb 0.43 -2.78 0.19 0.00 0.27 0.00 0.00 31.44 29.55 1r27 n GLU 1166CO 0.00 0.00 0.00 -2.13 -0.41 0.00 0.00 177.13 174.59 1r27 n ARG 1167N -3.61 1.83 0.00 5.31 0.63 -1.26 -4.72 116.66 114.84 1r27 n ARG 1167Ca 0.01 -2.91 0.03 0.00 -0.92 0.00 0.00 57.85 54.06 1r27 n ARG 1167Cb 0.52 -1.67 -0.03 0.00 0.45 0.00 0.00 32.46 31.73 1r27 n ARG 1167CO 0.00 0.00 0.00 0.44 -2.51 0.00 0.00 177.63 175.56 1r27 n ILE 1168N -1.10 0.00 -4.55 5.15 -5.35 -1.26 -4.96 119.36 107.28 1r27 n ILE 1168Ca 0.21 -0.36 -0.23 0.00 -0.27 0.00 0.00 62.75 62.10 1r27 n ILE 1168Cb 0.79 1.01 -0.16 0.00 -1.74 0.00 0.00 39.64 39.54 1r27 n ILE 1168CO 0.00 0.00 0.00 -0.69 -1.76 0.00 0.00 176.55 174.10 1r27 s VAL 1169N -1.55 1.05 -1.28 7.28 1.01 -1.26 -4.91 120.40 120.74 1r27 s VAL 1169Ca 0.03 -0.47 -0.14 0.00 0.00 0.00 0.00 61.98 61.40 1r27 s VAL 1169Cb 0.05 -0.94 0.00 0.00 0.00 0.00 0.00 36.38 35.50 1r27 s VAL 1169CO 0.26 0.32 0.58 -3.20 0.00 0.00 0.00 175.10 173.06 1r27 n ASN 1170N 3.49 -2.81 -3.94 3.32 5.15 -1.26 -4.47 115.26 114.74 1r27 n ASN 1170Ca -0.20 -1.08 -0.27 0.00 -0.60 0.00 0.00 54.58 52.43 1r27 n ASN 1170Cb 0.53 -2.86 -0.17 0.00 -0.53 0.00 0.00 39.78 36.75 1r27 n ASN 1170CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 1r27 s LEU 1171N -6.88 1.31 0.73 1.20 1.43 -1.26 -4.55 118.68 110.67 1r27 s LEU 1171Ca 0.27 -0.32 -0.04 0.00 -1.03 0.00 0.00 54.13 53.02 1r27 s LEU 1171Cb -0.11 -0.86 0.12 0.00 0.03 0.00 0.00 46.19 45.36 1r27 s LEU 1171CO 0.90 -0.08 1.02 -2.16 0.23 0.00 0.00 176.35 176.25 1r27 s PRO 1172N 1.48 1.69 0.72 1.29 0.04 -1.26 -4.69 135.00 134.27 1r27 s PRO 1172Ca 0.01 -0.86 -0.13 0.00 0.04 0.00 0.00 61.00 60.06 1r27 s PRO 1172Cb -0.13 -2.26 0.03 0.00 0.04 0.00 0.00 34.50 32.18 1r27 s PRO 1172CO -0.06 -1.48 1.12 0.20 0.04 0.00 0.00 177.00 176.82 1r27 s GLY 1173N -4.70 1.99 -0.07 0.56 0.00 0.16 -1.40 107.32 103.87 1r27 s GLY 1173Ca 0.66 0.50 -0.18 0.00 0.00 0.00 0.00 44.72 45.70 1r27 s GLY 1173CO 0.45 0.86 0.48 -0.45 0.00 0.00 0.00 173.10 174.44 1r27 s SER 1174N -2.78 6.76 0.33 1.64 0.15 0.13 -4.62 113.70 115.31 1r27 s SER 1174Ca 0.66 0.91 0.15 0.00 0.70 0.00 0.00 55.95 58.37 1r27 s SER 1174Cb -0.21 -2.29 0.56 0.00 -1.71 0.00 0.00 66.02 62.37 1r27 s SER 1174CO 0.48 0.09 1.70 -0.33 1.20 0.00 0.00 173.24 176.37 1r27 h GLU 1175N 6.11 0.00 -0.10 5.44 5.08 -1.88 0.34 114.58 129.56 1r27 h GLU 1175Ca -0.44 0.00 -0.07 0.00 -1.00 0.00 0.00 59.36 57.85 1r27 h GLU 1175Cb 1.19 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.44 1r27 h GLU 1175CO 0.72 0.47 -0.20 0.82 -1.00 0.00 0.00 179.01 179.82 1r27 h ILE 1176N 0.00 1.39 0.00 3.13 1.08 -1.93 -3.36 117.51 117.82 1r27 h ILE 1176Ca -0.00 -1.48 0.00 0.00 -0.39 0.00 0.00 64.86 62.99 1r27 h ILE 1176Cb 0.95 2.10 0.00 0.00 -3.07 0.00 0.00 36.82 36.80 1r27 h ILE 1176CO 0.06 0.43 -0.75 0.35 -0.69 0.00 0.00 178.15 177.55 1r27 n THR 1177N -4.53 0.00 -2.26 -0.27 -2.24 -1.22 -4.99 114.28 98.77 1r27 n THR 1177Ca -0.07 -0.19 -0.21 0.00 -2.27 0.00 0.00 64.05 61.31 1r27 n THR 1177Cb 0.41 0.92 -0.02 0.00 -2.10 0.00 0.00 70.33 69.54 1r27 n THR 1177CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1r27 n GLN 1178N -1.39 -1.63 -4.40 -0.78 6.02 0.12 -4.97 117.38 110.36 1r27 n GLN 1178Ca 0.02 1.05 -0.26 0.00 -0.01 0.00 0.00 57.00 57.79 1r27 n GLN 1178Cb 0.23 -5.66 -0.07 0.00 1.02 0.00 0.00 30.24 25.76 1r27 n GLN 1178CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 177.06 177.09 1r27 n GLN 1179N -2.90 0.65 -1.77 -1.09 6.02 -1.25 -4.87 117.38 112.18 1r27 n GLN 1179Ca -0.24 -3.41 -0.41 0.00 -0.01 0.00 0.00 57.00 52.93 1r27 n GLN 1179Cb 0.69 1.58 0.00 0.00 1.02 0.00 0.00 30.24 33.53 1r27 n GLN 1179CO 0.00 0.00 0.00 -2.13 -1.01 0.00 0.00 177.06 173.92 1r27 n ARG 1180N -0.98 2.60 -1.64 -1.09 3.00 -1.26 0.20 116.66 117.48 1r27 n ARG 1180Ca -0.10 0.91 -0.39 0.00 -0.00 0.00 0.00 57.85 58.28 1r27 n ARG 1180Cb 0.60 -2.66 0.04 0.00 0.00 0.00 0.00 32.46 30.45 1r27 n ARG 1180CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1r27 n GLY 1181N 0.48 -0.06 0.00 5.14 0.00 -0.49 -4.55 105.19 105.71 1r27 n GLY 1181Ca 0.02 -0.04 0.00 0.00 0.00 0.00 0.00 46.02 46.00 1r27 n GLY 1181CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1r27 n GLY 1182N 1.15 -0.05 3.81 -0.02 0.00 -0.61 -4.75 105.19 104.71 1r27 n GLY 1182Ca 0.12 -1.78 -0.31 0.00 0.00 0.00 0.00 46.02 44.05 1r27 n GLY 1182CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1r27 s ILE 1183N 0.15 1.28 0.42 -0.61 -4.36 -1.26 -3.98 121.20 112.84 1r27 s ILE 1183Ca 0.00 -1.85 0.14 0.00 -0.26 0.00 0.00 60.65 58.68 1r27 s ILE 1183Cb 0.00 -2.13 0.33 0.00 1.25 0.00 0.00 42.46 41.92 1r27 s ILE 1183CO 0.00 0.00 1.96 1.12 0.24 0.00 0.00 174.94 178.26 1r27 h HIS 1184N 1.16 0.48 -0.16 1.37 2.07 -1.93 0.18 115.15 118.32 1r27 h HIS 1184Ca -0.42 0.01 0.00 0.00 -2.85 0.00 0.00 60.37 57.11 1r27 h HIS 1184Cb 1.31 -0.16 0.00 0.00 2.57 0.00 0.00 27.41 31.14 1r27 h HIS 1184CO 1.39 0.22 0.00 0.09 -3.07 0.00 0.00 177.93 176.56 1r27 n ASN 1185N -4.47 1.00 0.15 3.10 3.02 -1.26 -3.02 115.26 113.78 1r27 n ASN 1185Ca 0.11 -2.02 0.09 0.00 -0.03 0.00 0.00 54.58 52.73 1r27 n ASN 1185Cb 0.41 -0.16 0.07 0.00 -0.61 0.00 0.00 39.78 39.49 1r27 n ASN 1185CO 0.00 0.00 0.00 0.28 -2.62 0.00 0.00 177.26 174.92 1r27 h SER 1186N 0.94 0.00 -0.64 6.41 0.02 -0.97 0.75 113.55 120.05 1r27 h SER 1186Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1r27 h SER 1186Cb 0.29 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.83 1r27 h SER 1186CO 0.01 0.15 0.00 1.33 -1.14 0.00 0.00 176.83 177.18 1r27 n VAL 1187N -2.99 1.24 -4.38 2.27 0.24 -1.17 -1.43 118.33 112.12 1r27 n VAL 1187Ca 0.01 -1.07 -0.25 0.00 -2.04 0.00 0.00 64.34 60.99 1r27 n VAL 1187Cb 0.61 0.39 -0.09 0.00 -1.47 0.00 0.00 33.84 33.28 1r27 n VAL 1187CO 0.00 0.00 0.00 0.42 -2.14 0.00 0.00 176.83 175.11 1r27 s THR 1188N -1.25 2.55 -0.15 3.34 -4.23 -1.23 -4.77 115.64 109.88 1r27 s THR 1188Ca 0.45 -2.01 -0.22 0.00 -1.18 0.00 0.00 61.69 58.73 1r27 s THR 1188Cb 0.25 -2.77 0.06 0.00 1.34 0.00 0.00 72.50 71.38 1r27 s THR 1188CO 0.28 -0.20 0.58 -0.60 -0.54 0.00 0.00 174.62 174.14 1r27 s ARG 1189N -3.70 0.78 0.22 3.99 3.52 -1.26 -2.17 118.95 120.33 1r27 s ARG 1189Ca 0.34 0.54 -0.30 0.00 -0.13 0.00 0.00 55.73 56.19 1r27 s ARG 1189Cb 0.01 0.37 -0.09 0.00 -1.56 0.00 0.00 34.95 33.68 1r27 s ARG 1189CO 0.19 -0.16 1.30 0.42 -0.81 0.00 0.00 175.30 176.24 1r27 s ILE 1190N -0.29 3.17 -0.19 4.11 1.01 -1.26 -4.87 121.20 122.88 1r27 s ILE 1190Ca -0.05 0.99 -0.04 0.00 0.00 0.00 0.00 60.65 61.55 1r27 s ILE 1190Cb -0.03 -3.63 0.08 0.00 0.01 0.00 0.00 42.46 38.88 1r27 s ILE 1190CO 0.04 0.16 0.16 -0.89 0.00 0.00 0.00 174.94 174.41 1r27 s THR 1191N -0.09 -0.21 0.85 2.92 2.01 -1.26 -4.86 115.64 115.01 1r27 s THR 1191Ca 0.55 -0.16 -0.13 0.00 0.31 0.00 0.00 61.69 62.26 1r27 s THR 1191Cb -0.37 -0.64 0.11 0.00 0.01 0.00 0.00 72.50 71.61 1r27 s THR 1191CO 0.40 -0.26 1.21 -2.16 -0.69 0.00 0.00 174.62 173.11 1r27 s PRO 1192N 2.23 1.62 -0.10 4.92 0.04 -1.26 -4.82 135.00 137.64 1r27 s PRO 1192Ca 0.05 0.02 0.01 0.00 0.04 0.00 0.00 61.00 61.11 1r27 s PRO 1192Cb -0.16 -1.92 0.02 0.00 0.04 0.00 0.00 34.50 32.48 1r27 s PRO 1192CO -0.12 -1.82 -0.11 0.21 0.04 0.00 0.00 177.00 175.21 1r27 s LYS 1193N -5.62 1.71 0.32 4.56 2.20 -1.26 -5.05 119.74 116.61 1r27 s LYS 1193Ca 0.65 -0.37 0.09 0.00 -0.36 0.00 0.00 55.97 55.98 1r27 s LYS 1193Cb -0.10 -1.57 0.84 0.00 -1.51 0.00 0.00 37.83 35.49 1r27 s LYS 1193CO 0.50 -0.13 1.77 -1.35 -0.36 0.00 0.00 175.35 175.78 1r27 h PRO 1194N 7.61 0.64 0.00 4.03 0.11 -1.98 -1.10 132.00 141.30 1r27 h PRO 1194Ca -0.31 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.76 1r27 h PRO 1194Cb 1.16 -0.14 0.00 0.00 0.11 0.00 0.00 31.00 32.12 1r27 h PRO 1194CO 0.45 0.42 0.00 1.79 -0.21 0.00 0.00 178.00 180.45 1r27 h THR 1195N 0.66 0.00 -0.24 -1.15 1.35 -1.96 0.12 112.91 111.69 1r27 h THR 1195Ca 0.59 -0.02 0.00 0.00 -0.55 0.00 0.00 66.41 66.43 1r27 h THR 1195Cb 1.07 0.98 0.00 0.00 -1.73 0.00 0.00 68.15 68.47 1r27 h THR 1195CO -0.39 0.00 0.00 1.41 -0.25 0.00 0.00 175.52 176.29 1r27 n HIS 1196N -3.01 0.30 0.63 4.73 8.25 -0.41 -3.59 115.22 122.12 1r27 n HIS 1196Ca -0.03 -0.15 0.07 0.00 -0.26 0.00 0.00 57.72 57.35 1r27 n HIS 1196Cb 0.08 0.00 -0.01 0.00 1.12 0.00 0.00 29.99 31.18 1r27 n HIS 1196CO 0.00 0.00 0.00 -1.33 0.64 0.00 0.00 176.34 175.65 1r27 n MET 1197N 0.48 1.84 -1.98 -0.41 2.81 0.41 -2.96 117.12 117.29 1r27 n MET 1197Ca 0.15 -0.71 -0.41 0.00 -1.81 0.00 0.00 57.70 54.93 1r27 n MET 1197Cb 0.35 -1.21 -0.01 0.00 -0.71 0.00 0.00 33.22 31.63 1r27 n MET 1197CO 0.00 0.00 0.00 0.42 1.51 0.00 0.00 175.97 177.90 1r27 s ILE 1198N -1.76 2.44 0.33 2.02 1.01 -1.23 -4.60 121.20 119.40 1r27 s ILE 1198Ca 0.11 0.44 -0.06 0.00 0.00 0.00 0.00 60.65 61.14 1r27 s ILE 1198Cb 0.11 -3.28 0.02 0.00 0.01 0.00 0.00 42.46 39.33 1r27 s ILE 1198CO 0.37 0.10 0.53 0.61 0.00 0.00 0.00 174.94 176.55 1r27 n GLY 1199N 0.65 1.82 2.76 6.18 0.00 -1.24 -4.41 105.19 110.95 1r27 n GLY 1199Ca 0.01 -1.47 -0.19 0.00 0.00 0.00 0.00 46.02 44.37 1r27 n GLY 1199CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1r27 n GLY 1200N -0.51 -0.50 2.23 -0.02 0.00 -1.11 -4.81 105.19 100.47 1r27 n GLY 1200Ca -0.02 0.05 -0.22 0.00 0.00 0.00 0.00 46.02 45.83 1r27 n GLY 1200CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1r27 n TYR 1201N -3.98 -0.47 0.00 1.61 9.36 0.01 -2.61 117.16 121.08 1r27 n TYR 1201Ca -0.14 -3.49 0.00 0.00 3.32 0.00 0.00 57.90 57.59 1r27 n TYR 1201Cb 0.62 -0.22 0.00 0.00 -0.63 0.00 0.00 39.34 39.11 1r27 n TYR 1201CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 1r27 n ALA 1202N 1.18 0.00 0.27 2.98 0.00 -0.13 -0.76 120.51 124.05 1r27 n ALA 1202Ca 0.21 0.00 0.14 0.00 0.00 0.00 0.00 53.44 53.79 1r27 n ALA 1202Cb 0.56 0.00 0.72 0.00 0.00 0.00 0.00 19.45 20.74 1r27 n ALA 1202CO 0.00 0.00 0.00 1.12 0.00 0.00 0.00 177.50 178.62 1r27 h HIS 1203N 0.00 0.00 -3.33 0.00 2.07 -1.88 -3.26 115.15 108.76 1r27 h HIS 1203Ca 0.00 0.00 -0.80 0.00 -2.85 0.00 0.00 60.37 56.72 1r27 h HIS 1203Cb 0.00 0.00 -0.29 0.00 2.57 0.00 0.00 27.41 29.69 1r27 h HIS 1203CO 0.00 0.11 0.52 1.28 -3.07 0.00 0.00 177.93 176.77 1r27 n LEU 1204N -3.44 5.72 -4.05 6.12 4.77 0.06 -4.73 117.00 121.45 1r27 n LEU 1204Ca -0.01 -5.11 -0.08 0.00 -0.03 0.00 0.00 56.01 50.78 1r27 n LEU 1204Cb 0.27 -1.38 -0.09 0.00 -2.33 0.00 0.00 43.42 39.88 1r27 n LEU 1204CO 0.29 1.48 -0.26 0.00 -1.33 0.00 0.00 177.39 177.57 1r27 s ALA 1205N -1.79 0.41 0.57 -1.18 0.00 -1.23 -0.81 121.76 117.72 1r27 s ALA 1205Ca 0.31 -1.13 -0.16 0.00 0.00 0.00 0.00 51.96 50.98 1r27 s ALA 1205Cb -0.05 0.53 -0.05 0.00 0.00 0.00 0.00 23.12 23.55 1r27 s ALA 1205CO -0.02 -0.46 1.03 -0.47 0.00 0.00 0.00 175.76 175.84 1r27 s TYR 1206N -3.95 3.16 -0.28 0.00 5.04 -1.12 -4.48 117.35 115.72 1r27 s TYR 1206Ca 0.12 1.49 -0.22 0.00 -2.44 0.00 0.00 57.07 56.02 1r27 s TYR 1206Cb 0.07 -2.93 0.12 0.00 0.35 0.00 0.00 41.96 39.57 1r27 s TYR 1206CO -0.06 -0.85 0.98 0.20 -1.34 0.00 0.00 175.55 174.47 1r27 s GLY 1207N -2.91 -0.16 -0.19 8.97 0.00 -1.26 -0.35 107.32 111.42 1r27 s GLY 1207Ca 0.62 2.75 -0.33 0.00 0.00 0.00 0.00 44.72 47.76 1r27 s GLY 1207CO 0.35 2.07 2.05 0.33 0.00 0.00 0.00 173.10 177.90 1r27 n PHE 1208N 2.77 2.05 -0.83 1.90 7.35 -1.26 0.22 117.46 129.65 1r27 n PHE 1208Ca -0.15 0.04 0.00 0.00 -0.76 0.00 0.00 57.45 56.58 1r27 n PHE 1208Cb 0.56 -2.65 0.00 0.00 0.35 0.00 0.00 39.48 37.75 1r27 n PHE 1208CO 0.00 0.00 0.00 0.09 -0.76 0.00 0.00 176.76 176.09 1r27 n ASN 1209N 8.75 -0.23 -0.03 -2.13 4.13 -1.26 -4.86 115.26 119.64 1r27 n ASN 1209Ca 0.29 0.00 -0.20 0.00 1.68 0.00 0.00 54.58 56.35 1r27 n ASN 1209Cb 0.31 -0.91 -0.13 0.00 -1.54 0.00 0.00 39.78 37.51 1r27 n ASN 1209CO 0.00 0.00 0.00 0.22 0.28 0.00 0.00 177.26 177.76 1r27 h TYR 1210N 0.00 0.28 -3.97 3.10 3.20 -0.62 -3.43 116.97 115.53 1r27 h TYR 1210Ca 0.00 -0.21 -0.11 0.00 3.14 0.00 0.00 58.73 61.56 1r27 h TYR 1210Cb 0.02 -0.01 -0.14 0.00 1.54 0.00 0.00 36.73 38.14 1r27 h TYR 1210CO 0.01 1.43 -0.42 -0.47 -1.64 0.00 0.00 178.16 177.07 1r27 s TYR 1211N -2.41 0.37 0.00 -3.82 5.04 -1.16 -4.76 117.35 110.62 1r27 s TYR 1211Ca -0.21 -0.79 0.00 0.00 -2.44 0.00 0.00 57.07 53.63 1r27 s TYR 1211Cb 0.03 -0.15 0.00 0.00 0.35 0.00 0.00 41.96 42.19 1r27 s TYR 1211CO 0.72 -0.58 0.00 0.41 -1.34 0.00 0.00 175.55 174.76 1r27 n GLY 1212N -0.10 3.24 3.76 8.97 0.00 -1.22 -4.63 105.19 115.21 1r27 n GLY 1212Ca -0.11 -1.65 -0.38 0.00 0.00 0.00 0.00 46.02 43.88 1r27 n GLY 1212CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1r27 s THR 1213N -2.00 2.43 0.16 2.61 -4.23 -1.16 -4.83 115.64 108.63 1r27 s THR 1213Ca 0.00 0.32 0.10 0.00 -1.18 0.00 0.00 61.69 60.92 1r27 s THR 1213Cb 0.00 -3.16 -0.04 0.00 1.34 0.00 0.00 72.50 70.64 1r27 s THR 1213CO 0.00 -0.01 -0.17 0.68 -0.54 0.00 0.00 174.62 174.58 1r27 s VAL 1214N -1.41 2.82 -1.30 2.29 -7.23 -1.26 -4.32 120.40 109.99 1r27 s VAL 1214Ca 0.70 -1.71 -0.07 0.00 -1.81 0.00 0.00 61.98 59.09 1r27 s VAL 1214Cb -0.36 -2.34 0.14 0.00 0.56 0.00 0.00 36.38 34.38 1r27 s VAL 1214CO 0.42 -0.03 2.13 0.61 -0.31 0.00 0.00 175.10 177.92 1r27 n GLY 1215N 0.39 5.00 3.72 2.32 0.00 -1.03 -4.79 105.19 110.80 1r27 n GLY 1215Ca -0.13 -2.08 -0.34 0.00 0.00 0.00 0.00 46.02 43.46 1r27 n GLY 1215CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1r27 s SER 1216N 0.56 4.28 0.00 1.61 1.04 -1.26 -4.55 113.70 115.37 1r27 s SER 1216Ca 0.47 2.36 0.00 0.00 0.48 0.00 0.00 55.95 59.25 1r27 s SER 1216Cb 0.14 -2.59 0.00 0.00 0.10 0.00 0.00 66.02 63.67 1r27 s SER 1216CO -0.04 -2.21 0.00 -0.46 0.98 0.00 0.00 173.24 171.51 1r27 n ASN 1217N -2.64 0.00 0.16 7.02 6.94 0.51 -4.85 115.26 122.41 1r27 n ASN 1217Ca 0.13 -0.20 0.13 0.00 -0.02 0.00 0.00 54.58 54.63 1r27 n ASN 1217Cb 0.50 0.00 0.43 0.00 -2.36 0.00 0.00 39.78 38.36 1r27 n ASN 1217CO 0.00 0.00 0.00 0.03 -1.03 0.00 0.00 177.26 176.26 1r27 h ARG 1218N 0.00 0.00 0.00 -3.83 2.47 -1.69 -3.21 114.38 108.13 1r27 h ARG 1218Ca 0.00 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.72 1r27 h ARG 1218Cb 0.10 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.42 1r27 h ARG 1218CO 0.00 0.00 0.00 -0.44 0.56 0.00 0.00 179.97 180.09 1r27 h ASP 1219N 0.00 0.00 -3.31 7.04 3.32 -1.86 -3.43 116.42 118.18 1r27 h ASP 1219Ca 0.00 0.00 -0.57 0.00 0.02 0.00 0.00 57.03 56.48 1r27 h ASP 1219Cb 0.64 0.00 0.13 0.00 0.22 0.00 0.00 39.33 40.32 1r27 h ASP 1219CO 0.00 0.00 0.31 1.21 -1.72 0.00 0.00 179.24 179.04 1r27 n GLU 1220N -2.62 1.58 -4.36 3.56 4.07 -1.21 -4.78 120.64 116.87 1r27 n GLU 1220Ca 0.03 0.57 -0.26 0.00 -0.06 0.00 0.00 57.16 57.44 1r27 n GLU 1220Cb 0.34 -2.21 -0.12 0.00 -0.06 0.00 0.00 31.44 29.39 1r27 n GLU 1220CO 0.00 0.00 0.00 -0.06 -0.06 0.00 0.00 177.13 177.01 1r27 s PHE 1221N -1.25 2.08 0.13 4.31 0.40 -1.26 -0.59 117.98 121.80 1r27 s PHE 1221Ca 0.63 -0.40 -0.05 0.00 -0.60 0.00 0.00 56.93 56.51 1r27 s PHE 1221Cb -0.53 -1.09 -0.02 0.00 0.51 0.00 0.00 43.02 41.90 1r27 s PHE 1221CO 0.57 0.34 0.16 0.14 0.70 0.00 0.00 175.22 177.13 1r27 s VAL 1222N -1.42 0.10 -0.19 -0.44 -7.23 0.50 -4.78 120.40 106.94 1r27 s VAL 1222Ca 0.14 -1.59 -0.10 0.00 -1.81 0.00 0.00 61.98 58.61 1r27 s VAL 1222Cb -0.09 -1.84 -0.05 0.00 0.56 0.00 0.00 36.38 34.97 1r27 s VAL 1222CO 0.07 -0.46 0.15 -0.69 -0.31 0.00 0.00 175.10 173.86 1r27 s VAL 1223N -3.98 5.40 0.02 1.32 1.01 0.21 -0.37 120.40 124.01 1r27 s VAL 1223Ca 0.18 0.24 0.08 0.00 0.00 0.00 0.00 61.98 62.48 1r27 s VAL 1223Cb 0.05 -3.49 -0.03 0.00 0.00 0.00 0.00 36.38 32.92 1r27 s VAL 1223CO -0.01 0.45 -0.24 -0.69 0.00 0.00 0.00 175.10 174.61 1r27 s VAL 1224N 0.25 2.30 0.11 2.92 1.01 0.04 -1.74 120.40 125.28 1r27 s VAL 1224Ca 0.10 -1.22 -0.25 0.00 0.00 0.00 0.00 61.98 60.61 1r27 s VAL 1224Cb -0.11 -1.88 0.08 0.00 0.00 0.00 0.00 36.38 34.47 1r27 s VAL 1224CO -0.01 0.44 0.71 0.00 0.00 0.00 0.00 175.10 176.25 1r27 s ARG 1225N -1.04 1.13 0.34 2.72 1.70 -0.97 -2.20 118.95 120.63 1r27 s ARG 1225Ca 0.12 -0.43 -0.26 0.00 -0.47 0.00 0.00 55.73 54.69 1r27 s ARG 1225Cb -0.10 0.51 -0.10 0.00 -0.57 0.00 0.00 34.95 34.69 1r27 s ARG 1225CO 0.02 -0.50 0.99 0.21 -1.08 0.00 0.00 175.30 174.94 1r27 s LYS 1226N -3.52 4.46 0.40 3.89 2.20 -1.26 -1.29 119.74 124.62 1r27 s LYS 1226Ca 0.03 1.43 -0.17 0.00 -0.36 0.00 0.00 55.97 56.90 1r27 s LYS 1226Cb -0.01 -2.76 -0.09 0.00 -1.51 0.00 0.00 37.83 33.46 1r27 s LYS 1226CO -0.11 0.14 0.86 -1.64 -0.36 0.00 0.00 175.35 174.24 1r27 s MET 1227N -2.13 4.05 -0.05 4.03 -1.94 -0.25 -4.78 119.30 118.22 1r27 s MET 1227Ca 0.52 0.85 -0.06 0.00 -1.71 0.00 0.00 55.69 55.30 1r27 s MET 1227Cb -0.21 -2.29 -0.02 0.00 2.01 0.00 0.00 34.83 34.32 1r27 s MET 1227CO 0.27 -0.00 -0.11 1.17 -0.01 0.00 0.00 175.02 176.33 1r27 n LYS 1228N -0.77 0.17 -3.37 2.03 3.00 -1.26 -4.52 118.16 113.44 1r27 n LYS 1228Ca 0.05 0.07 -0.38 0.00 -0.00 0.00 0.00 58.31 58.05 1r27 n LYS 1228Cb 0.54 -0.75 -0.06 0.00 0.00 0.00 0.00 35.03 34.75 1r27 n LYS 1228CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.40 176.60 1r27 s ASN 1229N -4.77 6.71 -0.80 3.14 0.02 -1.26 0.05 114.94 118.03 1r27 s ASN 1229Ca -0.09 0.85 -0.01 0.00 -1.02 0.00 0.00 52.86 52.59 1r27 s ASN 1229Cb 0.01 -2.27 0.20 0.00 0.02 0.00 0.00 41.25 39.21 1r27 s ASN 1229CO 0.14 0.10 0.66 -0.63 0.02 0.00 0.00 177.10 177.38 1r27 s ILE 1230N 0.14 3.98 -0.19 0.60 -1.09 0.45 -4.85 121.20 120.23 1r27 s ILE 1230Ca 0.25 -3.72 -0.11 0.00 -2.23 0.00 0.00 60.65 54.83 1r27 s ILE 1230Cb -0.16 -3.51 -0.05 0.00 -1.58 0.00 0.00 42.46 37.16 1r27 s ILE 1230CO 0.11 -1.03 0.19 -1.81 -1.23 0.00 0.00 174.94 171.18 1r27 s ASP 1231N -0.16 6.27 0.00 3.58 1.01 -1.26 -1.74 116.67 124.37 1r27 s ASP 1231Ca 0.25 0.31 0.26 0.00 0.71 0.00 0.00 52.55 54.08 1r27 s ASP 1231Cb -0.10 -2.13 0.77 0.00 1.01 0.00 0.00 42.92 42.47 1r27 s ASP 1231CO -0.11 0.13 1.58 0.79 0.21 0.00 0.00 175.17 177.77 1r27 n TRP 1232N 3.69 0.00 -3.88 4.23 7.02 -1.26 0.39 117.44 127.63 1r27 n TRP 1232Ca -0.14 0.00 -0.31 0.00 -1.02 0.00 0.00 57.50 56.03 1r27 n TRP 1232Cb 0.52 -0.12 -0.02 0.00 -2.42 0.00 0.00 31.31 29.26 1r27 n TRP 1232CO 0.00 0.00 0.00 1.28 -2.02 0.00 0.00 177.69 176.95 1r27 n LEU 1233N -0.64 -1.44 -0.08 -0.99 4.77 -1.26 -4.67 117.00 112.68 1r27 n LEU 1233Ca 0.12 -0.74 0.01 0.00 -0.03 0.00 0.00 56.01 55.37 1r27 n LEU 1233Cb 0.35 -1.97 0.02 0.00 -2.33 0.00 0.00 43.42 39.49 1r27 n LEU 1233CO 0.26 0.21 0.46 -0.90 -1.33 0.00 0.00 177.39 176.08 1r27 n ASP 1234N -2.44 1.87 0.00 -1.43 5.68 -1.26 -4.99 116.55 113.98 1r27 n ASP 1234Ca 0.05 -1.76 0.00 0.00 -0.50 0.00 0.00 54.79 52.58 1r27 n ASP 1234Cb 0.50 -0.02 0.00 0.00 -1.14 0.00 0.00 41.12 40.46 1r27 n ASP 1234CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1r27 n GLY 1235N -0.24 1.48 3.95 6.12 0.00 -1.26 -5.03 105.19 110.19 1r27 n GLY 1235Ca 0.01 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.80 1r27 n GLY 1235CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1r27 s GLU 1236N -0.27 3.22 -0.48 1.61 2.56 -1.26 -4.97 118.70 119.11 1r27 s GLU 1236Ca 0.00 -0.38 0.00 0.00 0.00 0.00 0.00 54.97 54.59 1r27 s GLU 1236Cb 0.00 -2.57 0.42 0.00 2.00 0.00 0.00 34.13 33.99 1r27 s GLU 1236CO 0.00 -0.15 1.94 0.41 -0.56 0.00 0.00 175.26 176.89 1r27 n GLY 1237N -2.02 4.83 2.77 -1.50 0.00 -1.26 -4.62 105.19 103.39 1r27 n GLY 1237Ca -0.00 -1.54 -0.37 0.00 0.00 0.00 0.00 46.02 44.11 1r27 n GLY 1237CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1r27 n ASN 1238N -0.59 6.68 -4.93 1.61 4.13 -1.26 -5.01 115.26 115.88 1r27 n ASN 1238Ca 0.50 -3.76 -0.20 0.00 1.68 0.00 0.00 54.58 52.80 1r27 n ASN 1238Cb 0.91 -0.94 -0.02 0.00 -1.54 0.00 0.00 39.78 38.20 1r27 n ASN 1238CO 0.00 0.00 0.00 -1.81 0.28 0.00 0.00 177.26 175.73 1r27 s ASP 1239N -1.84 5.66 0.29 6.41 1.01 -1.26 -4.79 116.67 122.15 1r27 s ASP 1239Ca 0.47 -0.34 0.03 0.00 0.71 0.00 0.00 52.55 53.42 1r27 s ASP 1239Cb 0.35 -1.08 -0.04 0.00 1.01 0.00 0.00 42.92 43.16 1r27 s ASP 1239CO -0.27 -0.43 0.16 -1.10 0.21 0.00 0.00 175.17 173.75 1r27 s GLN 1240N -4.11 1.55 -0.04 8.23 1.11 -0.71 -5.02 119.66 120.67 1r27 s GLN 1240Ca 0.44 -1.87 -0.02 0.00 0.01 0.00 0.00 55.36 53.92 1r27 s GLN 1240Cb -0.08 -0.03 0.03 0.00 -1.01 0.00 0.00 33.01 31.92 1r27 s GLN 1240CO 0.29 -0.45 0.09 0.08 0.01 0.00 0.00 175.29 175.31 1r27 s VAL 1241N -3.67 -0.04 -0.09 1.09 1.01 -1.26 -0.41 120.40 117.03 1r27 s VAL 1241Ca 0.37 0.14 -0.10 0.00 0.00 0.00 0.00 61.98 62.38 1r27 s VAL 1241Cb 0.05 -0.15 -0.05 0.00 0.00 0.00 0.00 36.38 36.24 1r27 s VAL 1241CO 0.17 0.06 0.24 -1.10 0.00 0.00 0.00 175.10 174.47 1r27 s GLN 1242N 0.80 3.69 0.56 2.72 -0.21 0.11 -4.98 119.66 122.34 1r27 s GLN 1242Ca -0.06 0.06 -0.21 0.00 0.02 0.00 0.00 55.36 55.17 1r27 s GLN 1242Cb -0.09 -3.23 -0.05 0.00 1.00 0.00 0.00 33.01 30.65 1r27 s GLN 1242CO -0.03 0.69 1.25 0.39 -2.12 0.00 0.00 175.29 175.47 1r27 n GLU 1243N 2.11 1.46 -1.49 2.91 1.02 -1.26 -4.76 120.64 120.63 1r27 n GLU 1243Ca -0.17 0.54 -0.40 0.00 -0.02 0.00 0.00 57.16 57.11 1r27 n GLU 1243Cb 0.54 -2.46 0.02 0.00 -0.02 0.00 0.00 31.44 29.52 1r27 n GLU 1243CO 0.00 0.00 0.00 -1.13 1.18 0.00 0.00 177.13 177.18 1r27 n SER 1244N -0.94 -0.54 0.12 1.62 3.41 -1.26 -4.87 113.62 111.16 1r27 n SER 1244Ca 0.12 0.87 0.12 0.00 -0.26 0.00 0.00 58.87 59.72 1r27 n SER 1244Cb 0.45 -1.18 0.46 0.00 -0.26 0.00 0.00 64.21 63.68 1r27 n SER 1244CO 0.00 0.00 0.00 0.52 -0.16 0.00 0.00 175.04 175.40 1r27 n VAL 1245N -1.11 0.72 -0.39 -3.33 0.31 -1.26 -5.16 118.33 108.12 1r27 n VAL 1245Ca 0.11 0.01 0.00 0.00 -0.01 0.00 0.00 64.34 64.46 1r27 n VAL 1245Cb 0.42 -0.92 0.00 0.00 -0.91 0.00 0.00 33.84 32.43 1r27 n VAL 1245CO 0.00 0.00 0.00 0.29 -1.32 0.00 0.00 176.83 175.80