#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1n6f n PRO 40 N 0.00 -0.50 -3.42 0.03 -0.04 -1.26 -4.78 135.00 125.03 1n6f n PRO 40 Ca 0.00 -1.80 -0.23 0.00 -0.04 0.00 0.00 63.50 61.43 1n6f n PRO 40 Cb 0.00 -0.79 0.03 0.00 -0.04 0.00 0.00 33.50 32.69 1n6f n PRO 40 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1n6f n ASN 41 N -3.32 2.44 -4.24 3.54 4.13 -1.26 -4.55 115.26 112.00 1n6f n ASN 41 Ca 0.13 -2.68 -0.37 0.00 1.68 0.00 0.00 54.58 53.33 1n6f n ASN 41 Cb 0.44 -0.18 -0.12 0.00 -1.54 0.00 0.00 39.78 38.39 1n6f n ASN 41 CO 0.00 0.00 0.00 -0.22 0.28 0.00 0.00 177.26 177.32 1n6f s LEU 42 N 0.00 4.49 0.11 3.41 2.96 -1.18 -4.89 118.68 123.57 1n6f s LEU 42 Ca 0.41 -1.33 -0.04 0.00 -0.22 0.00 0.00 54.13 52.95 1n6f s LEU 42 Cb -0.03 -1.85 -0.05 0.00 0.50 0.00 0.00 46.19 44.75 1n6f s LEU 42 CO 0.26 -0.37 0.33 -0.76 -1.32 0.00 0.00 176.35 174.48 1n6f s LEU 43 N 1.35 4.30 0.17 -0.68 1.43 0.06 -4.51 118.68 120.80 1n6f s LEU 43 Ca -0.00 0.50 -0.24 0.00 -1.03 0.00 0.00 54.13 53.36 1n6f s LEU 43 Cb -0.20 -3.18 0.06 0.00 0.03 0.00 0.00 46.19 42.89 1n6f s LEU 43 CO 0.01 0.10 0.91 -1.48 0.23 0.00 0.00 176.35 176.12 1n6f s LEU 44 N -2.56 -0.20 -0.92 1.79 2.34 -0.84 -3.84 118.68 114.44 1n6f s LEU 44 Ca 0.39 -0.42 -0.08 0.00 0.06 0.00 0.00 54.13 54.07 1n6f s LEU 44 Cb -0.12 2.26 0.00 0.00 -0.56 0.00 0.00 46.19 47.77 1n6f s LEU 44 CO 0.25 -0.97 0.68 0.59 -1.06 0.00 0.00 176.35 175.83 1n6f n ASN 45 N -0.46 -5.55 -4.83 1.48 5.03 -1.26 -0.84 115.26 108.83 1n6f n ASN 45 Ca -0.06 -0.82 -0.25 0.00 0.87 0.00 0.00 54.58 54.32 1n6f n ASN 45 Cb 0.60 -2.86 0.08 0.00 -1.02 0.00 0.00 39.78 36.58 1n6f n ASN 45 CO 0.00 0.00 0.00 -2.16 -1.83 0.00 0.00 177.26 173.27 1n6f s PRO 46 N -5.00 2.04 -0.05 3.52 0.04 -1.26 -4.15 135.00 130.13 1n6f s PRO 46 Ca 0.16 -0.44 -0.18 0.00 0.04 0.00 0.00 61.00 60.58 1n6f s PRO 46 Cb -0.07 -2.20 0.04 0.00 0.04 0.00 0.00 34.50 32.31 1n6f s PRO 46 CO 0.86 -1.30 0.40 0.34 0.04 0.00 0.00 177.00 177.34 1n6f s ASP 47 N -4.57 -0.33 0.16 6.66 3.68 -0.09 -4.61 116.67 117.58 1n6f s ASP 47 Ca 0.62 0.35 0.09 0.00 2.13 0.00 0.00 52.55 55.73 1n6f s ASP 47 Cb -0.09 0.46 -0.04 0.00 -1.45 0.00 0.00 42.92 41.80 1n6f s ASP 47 CO 0.45 -0.42 -0.18 -0.51 0.13 0.00 0.00 175.17 174.63 1n6f s ILE 48 N -1.01 1.82 -0.44 4.11 2.07 -1.26 -1.33 121.20 125.16 1n6f s ILE 48 Ca -0.11 -1.91 0.08 0.00 -1.41 0.00 0.00 60.65 57.30 1n6f s ILE 48 Cb -0.04 -1.84 0.18 0.00 0.13 0.00 0.00 42.46 40.90 1n6f s ILE 48 CO 0.05 -0.31 0.66 -2.28 -1.91 0.00 0.00 174.94 171.15 1n6f s HIS 49 N -2.02 -1.70 0.00 3.50 5.65 -0.77 -4.15 115.29 115.80 1n6f s HIS 49 Ca 0.15 0.02 0.00 0.00 0.25 0.00 0.00 55.06 55.49 1n6f s HIS 49 Cb -0.06 0.32 0.00 0.00 -1.18 0.00 0.00 32.58 31.66 1n6f s HIS 49 CO 0.07 -1.21 0.00 0.41 -0.65 0.00 0.00 174.74 173.36 1n6f n GLY 50 N 4.01 2.04 0.19 1.59 0.00 -1.26 -2.81 105.19 108.96 1n6f n GLY 50 Ca 0.13 -0.42 0.09 0.00 0.00 0.00 0.00 46.02 45.82 1n6f n GLY 50 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1n6f n ASP 51 N 9.21 1.31 -4.79 1.61 8.00 -1.26 -4.94 116.55 125.68 1n6f n ASP 51 Ca 0.00 -1.15 -0.39 0.00 0.71 0.00 0.00 54.79 53.96 1n6f n ASP 51 Cb 0.00 0.77 -0.06 0.00 -0.02 0.00 0.00 41.12 41.81 1n6f n ASP 51 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 1n6f s ARG 52 N -2.52 4.29 -0.13 -1.24 0.52 -1.12 -0.48 118.95 118.26 1n6f s ARG 52 Ca 0.11 0.81 -0.02 0.00 -0.52 0.00 0.00 55.73 56.10 1n6f s ARG 52 Cb 0.15 -3.27 0.05 0.00 0.52 0.00 0.00 34.95 32.40 1n6f s ARG 52 CO 0.65 0.56 0.03 0.42 0.02 0.00 0.00 175.30 176.98 1n6f s ILE 53 N -0.88 0.36 0.00 1.52 1.01 0.65 -1.84 121.20 122.02 1n6f s ILE 53 Ca 0.31 -0.19 -0.06 0.00 0.00 0.00 0.00 60.65 60.71 1n6f s ILE 53 Cb -0.20 -0.74 -0.05 0.00 0.01 0.00 0.00 42.46 41.49 1n6f s ILE 53 CO 0.20 -0.01 0.24 0.27 0.00 0.00 0.00 174.94 175.64 1n6f s ILE 54 N 1.95 5.34 0.31 2.92 -4.36 -0.44 -0.52 121.20 126.40 1n6f s ILE 54 Ca 0.02 0.08 -0.15 0.00 -0.26 0.00 0.00 60.65 60.34 1n6f s ILE 54 Cb -0.15 -3.55 0.02 0.00 1.25 0.00 0.00 42.46 40.03 1n6f s ILE 54 CO -0.07 0.36 0.64 0.72 0.24 0.00 0.00 174.94 176.83 1n6f s PHE 55 N -1.30 0.20 -0.16 1.37 -0.12 -0.17 -0.91 117.98 116.89 1n6f s PHE 55 Ca 0.27 -0.66 -0.07 0.00 -0.05 0.00 0.00 56.93 56.41 1n6f s PHE 55 Cb -0.13 0.50 -0.04 0.00 -0.63 0.00 0.00 43.02 42.72 1n6f s PHE 55 CO 0.16 -1.25 0.10 0.08 -0.05 0.00 0.00 175.22 174.27 1n6f s VAL 56 N -3.41 5.14 -0.09 -2.49 1.01 -0.02 -0.62 120.40 119.92 1n6f s VAL 56 Ca 0.18 0.08 -0.04 0.00 0.00 0.00 0.00 61.98 62.20 1n6f s VAL 56 Cb -0.04 -3.29 0.05 0.00 0.00 0.00 0.00 36.38 33.10 1n6f s VAL 56 CO 0.10 0.52 0.20 0.00 0.00 0.00 0.00 175.10 175.92 1n6f n ASP 59 N -3.03 0.00 -4.90 0.00 10.43 -1.26 -4.93 116.55 112.86 1n6f n ASP 59 Ca -0.18 0.00 -0.20 0.00 2.57 0.00 0.00 54.79 56.97 1n6f n ASP 59 Cb 0.63 -1.91 -0.02 0.00 1.84 0.00 0.00 41.12 41.65 1n6f n ASP 59 CO 0.00 0.00 0.00 -1.81 -1.07 0.00 0.00 177.20 174.32 1n6f s ASP 60 N -2.15 5.48 -0.22 -2.24 -0.00 -0.70 -2.01 116.67 114.83 1n6f s ASP 60 Ca 0.00 -0.42 -0.14 0.00 -0.00 0.00 0.00 52.55 51.98 1n6f s ASP 60 Cb 0.00 -1.01 -0.04 0.00 -0.00 0.00 0.00 42.92 41.87 1n6f s ASP 60 CO 0.00 -0.41 0.34 -0.22 -0.00 0.00 0.00 175.17 174.88 1n6f s LEU 61 N -4.07 4.13 0.30 1.23 0.20 -0.84 -1.38 118.68 118.26 1n6f s LEU 61 Ca 0.43 0.39 0.11 0.00 0.69 0.00 0.00 54.13 55.75 1n6f s LEU 61 Cb -0.07 -2.41 -0.05 0.00 -0.43 0.00 0.00 46.19 43.23 1n6f s LEU 61 CO 0.28 -0.05 -0.13 0.26 -0.29 0.00 0.00 176.35 176.42 1n6f s TRP 62 N 1.33 2.39 -0.03 5.38 0.52 0.20 -0.87 118.94 127.86 1n6f s TRP 62 Ca 0.16 -0.37 0.03 0.00 0.02 0.00 0.00 56.10 55.93 1n6f s TRP 62 Cb -0.15 -1.16 0.00 0.00 -1.15 0.00 0.00 33.47 31.01 1n6f s TRP 62 CO 0.07 0.65 -0.11 -2.00 0.02 0.00 0.00 176.95 175.58 1n6f s GLU 63 N -3.57 1.12 -0.03 4.98 2.12 0.46 -0.99 118.70 122.78 1n6f s GLU 63 Ca 0.31 -0.38 0.03 0.00 0.36 0.00 0.00 54.97 55.30 1n6f s GLU 63 Cb -0.03 -1.03 -0.00 0.00 0.26 0.00 0.00 34.13 33.33 1n6f s GLU 63 CO 0.16 0.16 -0.12 -1.58 -0.54 0.00 0.00 175.26 173.34 1n6f s HIS 64 N 0.10 1.22 -0.36 5.30 5.65 0.32 -1.04 115.29 126.48 1n6f s HIS 64 Ca -0.02 -0.31 -0.13 0.00 0.25 0.00 0.00 55.06 54.85 1n6f s HIS 64 Cb -0.09 -0.83 -0.00 0.00 -1.18 0.00 0.00 32.58 30.48 1n6f s HIS 64 CO 0.01 -0.10 0.25 0.34 -0.65 0.00 0.00 174.74 174.58 1n6f s ASP 65 N 0.05 6.01 0.37 9.88 2.15 -0.64 -0.26 116.67 134.24 1n6f s ASP 65 Ca -0.02 -0.60 0.06 0.00 0.43 0.00 0.00 52.55 52.43 1n6f s ASP 65 Cb -0.09 -2.13 0.76 0.00 -0.30 0.00 0.00 42.92 41.17 1n6f s ASP 65 CO 0.01 -0.30 1.96 -0.07 -0.17 0.00 0.00 175.17 176.60 1n6f h LEU 66 N 8.51 0.64 0.00 -1.34 3.38 -1.12 0.52 115.31 125.91 1n6f h LEU 66 Ca -0.30 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.68 1n6f h LEU 66 Cb 1.14 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.76 1n6f h LEU 66 CO 0.66 0.41 0.00 1.17 0.09 0.00 0.00 178.44 180.77 1n6f n LYS 67 N -4.48 0.00 -0.06 1.13 4.81 -1.26 -4.08 118.16 114.22 1n6f n LYS 67 Ca 0.10 0.27 -0.02 0.00 -0.87 0.00 0.00 58.31 57.80 1n6f n LYS 67 Cb 0.24 -1.14 0.24 0.00 0.02 0.00 0.00 35.03 34.39 1n6f n LYS 67 CO 0.00 0.00 0.00 0.66 1.17 0.00 0.00 177.40 179.23 1n6f h SER 68 N 0.00 0.62 0.00 3.14 4.64 -1.96 -3.47 113.55 116.53 1n6f h SER 68 Ca 0.00 -0.12 0.00 0.00 -0.47 0.00 0.00 61.79 61.20 1n6f h SER 68 Cb 0.00 -0.16 0.00 0.00 -0.31 0.00 0.00 62.40 61.93 1n6f h SER 68 CO 0.00 0.67 0.00 0.61 -0.87 0.00 0.00 176.83 177.24 1n6f n GLY 69 N -0.83 0.72 3.85 -0.77 0.00 0.18 -5.05 105.19 103.30 1n6f n GLY 69 Ca 0.02 -0.23 -0.36 0.00 0.00 0.00 0.00 46.02 45.45 1n6f n GLY 69 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1n6f s SER 70 N -2.21 6.70 0.02 1.61 1.04 -1.24 -4.87 113.70 114.76 1n6f s SER 70 Ca 0.00 0.85 0.08 0.00 0.48 0.00 0.00 55.95 57.36 1n6f s SER 70 Cb 0.00 -2.20 -0.02 0.00 0.10 0.00 0.00 66.02 63.89 1n6f s SER 70 CO 0.00 0.25 -0.23 -0.89 0.98 0.00 0.00 173.24 173.35 1n6f s THR 71 N -1.24 1.87 -0.04 2.02 2.01 -1.26 -1.61 115.64 117.39 1n6f s THR 71 Ca 0.28 -1.18 -0.17 0.00 0.31 0.00 0.00 61.69 60.92 1n6f s THR 71 Cb -0.15 -1.59 0.03 0.00 0.01 0.00 0.00 72.50 70.80 1n6f s THR 71 CO 0.15 0.37 0.38 0.00 -0.69 0.00 0.00 174.62 174.83 1n6f s ARG 72 N -0.97 0.70 -0.23 4.92 1.70 -0.21 -4.99 118.95 119.88 1n6f s ARG 72 Ca 0.09 -0.01 -0.27 0.00 -0.47 0.00 0.00 55.73 55.08 1n6f s ARG 72 Cb -0.09 0.32 -0.00 0.00 -0.57 0.00 0.00 34.95 34.61 1n6f s ARG 72 CO 0.01 -0.19 0.92 0.21 -1.08 0.00 0.00 175.30 175.17 1n6f s LYS 73 N -1.08 4.23 0.04 3.89 2.20 -1.26 -0.40 119.74 127.36 1n6f s LYS 73 Ca -0.11 1.13 0.22 0.00 -0.36 0.00 0.00 55.97 56.86 1n6f s LYS 73 Cb -0.04 -3.63 -0.05 0.00 -1.51 0.00 0.00 37.83 32.59 1n6f s LYS 73 CO 0.05 -0.54 0.92 0.44 -0.36 0.00 0.00 175.35 175.86 1n6f n ILE 74 N 5.21 0.14 -3.64 5.43 -5.35 -0.05 -4.95 119.36 116.16 1n6f n ILE 74 Ca 0.08 -0.27 -0.10 0.00 -0.27 0.00 0.00 62.75 62.19 1n6f n ILE 74 Cb 0.47 0.25 -0.07 0.00 -1.74 0.00 0.00 39.64 38.55 1n6f n ILE 74 CO 0.00 0.00 0.00 0.54 -1.76 0.00 0.00 176.55 175.33 1n6f s VAL 75 N -3.23 0.00 0.31 7.28 0.11 -1.16 -5.04 120.40 118.67 1n6f s VAL 75 Ca 0.02 0.00 -0.10 0.00 -2.93 0.00 0.00 61.98 58.98 1n6f s VAL 75 Cb 0.14 -1.00 0.01 0.00 -1.53 0.00 0.00 36.38 34.00 1n6f s VAL 75 CO 0.83 0.00 0.53 -0.94 -3.33 0.00 0.00 175.10 172.19 1n6f s SER 76 N 1.06 0.29 -1.54 3.54 1.04 -1.26 -1.99 113.70 114.84 1n6f s SER 76 Ca -0.05 -1.17 -0.04 0.00 0.48 0.00 0.00 55.95 55.17 1n6f s SER 76 Cb -0.05 0.66 0.01 0.00 0.10 0.00 0.00 66.02 66.74 1n6f s SER 76 CO -0.10 -1.29 0.42 -3.20 0.98 0.00 0.00 173.24 170.05 1n6f n ASN 77 N -0.93 -5.64 -0.00 7.02 5.15 -1.26 -4.83 115.26 114.77 1n6f n ASN 77 Ca -0.02 -0.21 0.07 0.00 -0.60 0.00 0.00 54.58 53.82 1n6f n ASN 77 Cb 0.61 -4.61 -0.09 0.00 -0.53 0.00 0.00 39.78 35.17 1n6f n ASN 77 CO 0.00 0.00 0.00 0.18 1.40 0.00 0.00 177.26 178.84 1n6f n LEU 78 N -3.69 0.32 0.00 1.20 4.77 -1.26 -5.10 117.00 113.24 1n6f n LEU 78 Ca -0.13 -0.26 0.00 0.00 -0.03 0.00 0.00 56.01 55.59 1n6f n LEU 78 Cb 0.63 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.72 1n6f n LEU 78 CO 0.42 0.08 0.00 0.61 -1.33 0.00 0.00 177.39 177.17 1n6f n GLY 79 N 1.51 0.27 3.48 -0.72 0.00 -1.26 -4.86 105.19 103.62 1n6f n GLY 79 Ca 0.00 -1.80 -0.40 0.00 0.00 0.00 0.00 46.02 43.82 1n6f n GLY 79 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1n6f s VAL 80 N -1.21 5.01 -0.18 1.61 1.01 -0.73 -4.76 120.40 121.16 1n6f s VAL 80 Ca 0.00 -0.40 -0.15 0.00 0.00 0.00 0.00 61.98 61.43 1n6f s VAL 80 Cb 0.00 -3.62 -0.04 0.00 0.00 0.00 0.00 36.38 32.72 1n6f s VAL 80 CO 0.00 -0.05 0.36 -0.63 0.00 0.00 0.00 175.10 174.77 1n6f s ILE 81 N 1.67 5.24 0.00 2.22 1.01 -0.85 0.30 121.20 130.78 1n6f s ILE 81 Ca 0.05 0.64 0.00 0.00 0.00 0.00 0.00 60.65 61.35 1n6f s ILE 81 Cb -0.18 -3.69 0.00 0.00 0.01 0.00 0.00 42.46 38.60 1n6f s ILE 81 CO 0.09 0.31 0.00 -0.46 0.00 0.00 0.00 174.94 174.88 1n6f n ASN 82 N 4.10 0.92 -3.72 3.58 2.04 -1.15 -4.70 115.26 116.32 1n6f n ASN 82 Ca -0.10 -0.38 -0.12 0.00 -0.44 0.00 0.00 54.58 53.54 1n6f n ASN 82 Cb 0.51 0.95 -0.11 0.00 -2.53 0.00 0.00 39.78 38.60 1n6f n ASN 82 CO 0.00 0.00 0.00 0.21 -0.44 0.00 0.00 177.26 177.03 1n6f s ASN 83 N -1.13 -0.41 -0.03 0.53 2.47 -1.26 -4.82 114.94 110.29 1n6f s ASN 83 Ca 0.00 0.74 0.00 0.00 0.42 0.00 0.00 52.86 54.02 1n6f s ASN 83 Cb 0.00 0.65 0.03 0.00 -1.45 0.00 0.00 41.25 40.47 1n6f s ASN 83 CO 0.00 -0.17 -0.00 0.00 -3.72 0.00 0.00 177.10 173.21 1n6f s ALA 84 N 1.10 0.34 -0.09 1.71 0.00 -1.26 -1.44 121.76 122.12 1n6f s ALA 84 Ca -0.07 0.15 0.02 0.00 0.00 0.00 0.00 51.96 52.05 1n6f s ALA 84 Cb -0.08 -0.33 0.02 0.00 0.00 0.00 0.00 23.12 22.73 1n6f s ALA 84 CO -0.09 -0.07 -0.13 1.03 0.00 0.00 0.00 175.76 176.50 1n6f s ARG 85 N 1.02 1.89 0.26 0.00 1.81 0.51 -4.62 118.95 119.81 1n6f s ARG 85 Ca -0.10 -0.45 -0.29 0.00 -1.72 0.00 0.00 55.73 53.17 1n6f s ARG 85 Cb -0.14 -1.64 -0.10 0.00 -0.45 0.00 0.00 34.95 32.63 1n6f s ARG 85 CO -0.02 -0.06 1.30 -0.06 -0.68 0.00 0.00 175.30 175.78 1n6f s PHE 86 N 0.98 3.19 1.01 -0.53 2.99 -1.26 -1.15 117.98 123.21 1n6f s PHE 86 Ca -0.08 1.33 -0.17 0.00 0.00 0.00 0.00 56.93 58.02 1n6f s PHE 86 Cb -0.15 -3.61 0.22 0.00 0.00 0.00 0.00 43.02 39.47 1n6f s PHE 86 CO -0.01 -1.79 1.27 -0.06 -0.00 0.00 0.00 175.22 174.63 1n6f s PHE 87 N -0.53 1.40 0.06 0.36 0.40 -0.98 -4.92 117.98 113.77 1n6f s PHE 87 Ca 0.52 0.38 -0.33 0.00 -0.60 0.00 0.00 56.93 56.90 1n6f s PHE 87 Cb -0.38 -3.94 -0.19 0.00 0.51 0.00 0.00 43.02 39.03 1n6f s PHE 87 CO 0.45 -2.91 1.56 -1.00 0.70 0.00 0.00 175.22 174.02 1n6f h PRO 88 N -1.84 -0.96 0.00 0.24 0.13 -1.90 -2.30 132.00 125.37 1n6f h PRO 88 Ca -0.45 0.07 0.00 0.00 -0.87 0.00 0.00 66.00 64.75 1n6f h PRO 88 Cb 1.25 0.22 0.00 0.00 0.13 0.00 0.00 31.00 32.60 1n6f h PRO 88 CO 0.38 -0.63 0.00 -0.40 -0.23 0.00 0.00 178.00 177.13 1n6f n ASP 89 N -5.50 0.00 -0.02 1.44 3.85 -1.26 -4.77 116.55 110.29 1n6f n ASP 89 Ca -0.14 -0.00 -0.00 0.00 -0.71 0.00 0.00 54.79 53.93 1n6f n ASP 89 Cb 0.40 -0.05 -0.00 0.00 -1.35 0.00 0.00 41.12 40.13 1n6f n ASP 89 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1n6f n GLY 90 N -0.93 0.09 0.02 6.12 0.00 -0.87 -4.85 105.19 104.76 1n6f n GLY 90 Ca 0.01 -0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.02 1n6f n GLY 90 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1n6f h ARG 91 N 0.13 0.00 -7.46 1.61 2.47 -1.86 -3.46 114.38 105.81 1n6f h ARG 91 Ca -0.00 0.00 -0.49 0.00 -1.26 0.00 0.00 59.98 58.23 1n6f h ARG 91 Cb 0.87 0.00 0.09 0.00 -1.65 0.00 0.00 29.97 29.29 1n6f h ARG 91 CO 0.01 0.00 0.38 0.15 0.56 0.00 0.00 179.97 181.07 1n6f s LYS 92 N -1.27 2.45 -0.06 0.04 1.02 -1.26 -3.24 119.74 117.43 1n6f s LYS 92 Ca -0.03 0.51 -0.02 0.00 0.02 0.00 0.00 55.97 56.44 1n6f s LYS 92 Cb 0.00 -1.97 0.04 0.00 -0.52 0.00 0.00 37.83 35.38 1n6f s LYS 92 CO 0.05 -1.33 0.11 0.42 -0.92 0.00 0.00 175.35 173.68 1n6f s ILE 93 N -3.29 -0.12 -0.05 2.17 1.01 0.51 -2.32 121.20 119.10 1n6f s ILE 93 Ca 0.60 0.28 -0.25 0.00 0.00 0.00 0.00 60.65 61.28 1n6f s ILE 93 Cb -0.12 -0.21 -0.04 0.00 0.01 0.00 0.00 42.46 42.10 1n6f s ILE 93 CO 0.53 0.12 0.76 0.00 0.00 0.00 0.00 174.94 176.34 1n6f s ALA 94 N 1.65 3.30 0.02 9.38 0.00 -0.30 -0.39 121.76 135.42 1n6f s ALA 94 Ca -0.03 0.22 0.06 0.00 0.00 0.00 0.00 51.96 52.21 1n6f s ALA 94 Cb -0.12 -3.03 -0.02 0.00 0.00 0.00 0.00 23.12 19.95 1n6f s ALA 94 CO -0.05 -0.12 -0.18 0.42 0.00 0.00 0.00 175.76 175.84 1n6f s ILE 95 N 0.79 1.39 -0.18 0.00 1.01 0.13 -0.36 121.20 123.98 1n6f s ILE 95 Ca 0.40 -0.95 -0.04 0.00 0.00 0.00 0.00 60.65 60.07 1n6f s ILE 95 Cb -0.19 -1.20 -0.02 0.00 0.01 0.00 0.00 42.46 41.07 1n6f s ILE 95 CO 0.20 0.23 -0.04 -0.60 0.00 0.00 0.00 174.94 174.73 1n6f s ARG 96 N -0.83 3.55 -0.01 2.79 3.52 -0.52 -0.68 118.95 126.76 1n6f s ARG 96 Ca 0.06 -0.57 0.05 0.00 -0.13 0.00 0.00 55.73 55.14 1n6f s ARG 96 Cb -0.08 -2.94 -0.01 0.00 -1.56 0.00 0.00 34.95 30.36 1n6f s ARG 96 CO 0.01 0.08 -0.15 0.54 -0.81 0.00 0.00 175.30 174.96 1n6f s VAL 97 N 0.79 1.16 -0.07 7.11 0.11 -0.72 -2.93 120.40 125.85 1n6f s VAL 97 Ca -0.01 -0.65 -0.02 0.00 -2.93 0.00 0.00 61.98 58.37 1n6f s VAL 97 Cb -0.15 -0.97 -0.03 0.00 -1.53 0.00 0.00 36.38 33.70 1n6f s VAL 97 CO 0.02 0.31 0.03 -0.04 -3.33 0.00 0.00 175.10 172.08 1n6f s MET 98 N -0.39 3.03 0.24 1.54 -1.94 0.15 -1.97 119.30 119.95 1n6f s MET 98 Ca 0.05 -0.40 0.01 0.00 -1.71 0.00 0.00 55.69 53.65 1n6f s MET 98 Cb -0.06 -2.84 -0.05 0.00 2.01 0.00 0.00 34.83 33.89 1n6f s MET 98 CO -0.00 0.70 0.07 1.03 -0.01 0.00 0.00 175.02 176.81 1n6f s ARG 99 N -1.07 1.35 0.00 2.03 0.52 -0.00 -1.77 118.95 120.00 1n6f s ARG 99 Ca 0.15 -1.72 0.00 0.00 -0.52 0.00 0.00 55.73 53.65 1n6f s ARG 99 Cb -0.11 -0.29 0.00 0.00 0.52 0.00 0.00 34.95 35.07 1n6f s ARG 99 CO 0.05 -0.25 0.00 0.41 0.02 0.00 0.00 175.30 175.53 1n6f n GLY 100 N -0.42 1.16 0.33 -3.53 0.00 -0.70 -2.32 105.19 99.71 1n6f n GLY 100 Ca -0.02 -1.52 0.23 0.00 0.00 0.00 0.00 46.02 44.72 1n6f n GLY 100 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 1n6f h SER 101 N 0.00 0.10 -0.49 1.61 0.87 -1.73 0.22 113.55 114.14 1n6f h SER 101 Ca 0.00 0.24 0.00 0.00 -1.23 0.00 0.00 61.79 60.80 1n6f h SER 101 Cb 0.00 0.30 0.00 0.00 -0.44 0.00 0.00 62.40 62.26 1n6f h SER 101 CO 0.00 -0.32 0.00 -1.20 -0.53 0.00 0.00 176.83 174.78 1n6f n SER 102 N -5.28 4.15 -3.41 6.23 7.64 -1.25 -0.32 113.62 121.38 1n6f n SER 102 Ca 0.31 -2.48 -0.19 0.00 1.01 0.00 0.00 58.87 57.52 1n6f n SER 102 Cb 1.01 -0.49 0.08 0.00 -1.01 0.00 0.00 64.21 63.81 1n6f n SER 102 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 1n6f n LEU 103 N 0.59 -3.80 0.07 -3.43 4.77 0.77 -4.85 117.00 111.13 1n6f n LEU 103 Ca 0.21 -0.58 0.12 0.00 -0.03 0.00 0.00 56.01 55.74 1n6f n LEU 103 Cb 0.79 -3.03 0.26 0.00 -2.33 0.00 0.00 43.42 39.10 1n6f n LEU 103 CO 0.18 0.45 0.53 -0.46 -1.33 0.00 0.00 177.39 176.77 1n6f n ASN 104 N -3.02 0.71 -4.37 -1.43 0.23 -1.15 -4.52 115.26 101.72 1n6f n ASN 104 Ca -0.19 0.25 -0.25 0.00 -0.53 0.00 0.00 54.58 53.86 1n6f n ASN 104 Cb 0.63 -0.14 -0.12 0.00 -2.08 0.00 0.00 39.78 38.07 1n6f n ASN 104 CO 0.00 0.00 0.00 0.42 -0.93 0.00 0.00 177.26 176.75 1n6f s THR 105 N -3.14 2.06 0.06 5.53 -4.23 -0.98 -1.47 115.64 113.48 1n6f s THR 105 Ca 0.08 -1.90 -0.15 0.00 -1.18 0.00 0.00 61.69 58.53 1n6f s THR 105 Cb 0.13 -1.94 0.03 0.00 1.34 0.00 0.00 72.50 72.06 1n6f s THR 105 CO 0.68 -0.17 0.35 0.00 -0.54 0.00 0.00 174.62 174.94 1n6f s ALA 106 N -1.69 -0.80 0.26 3.99 0.00 -0.34 -0.82 121.76 122.36 1n6f s ALA 106 Ca 0.16 0.04 -0.19 0.00 0.00 0.00 0.00 51.96 51.98 1n6f s ALA 106 Cb -0.08 0.41 0.02 0.00 0.00 0.00 0.00 23.12 23.47 1n6f s ALA 106 CO 0.08 -0.48 0.65 -0.51 0.00 0.00 0.00 175.76 175.49 1n6f s ASP 107 N -2.25 -0.23 -0.02 0.00 -0.00 -0.83 -1.84 116.67 111.51 1n6f s ASP 107 Ca -0.03 -0.66 0.01 0.00 -0.00 0.00 0.00 52.55 51.87 1n6f s ASP 107 Cb 0.00 0.68 -0.03 0.00 -0.00 0.00 0.00 42.92 43.57 1n6f s ASP 107 CO -0.05 -1.27 -0.02 -0.76 -0.00 0.00 0.00 175.17 173.07 1n6f s LEU 108 N -2.94 3.42 0.11 1.23 1.43 -1.26 -1.75 118.68 118.92 1n6f s LEU 108 Ca 0.13 -0.02 0.07 0.00 -1.03 0.00 0.00 54.13 53.28 1n6f s LEU 108 Cb -0.04 -1.92 -0.04 0.00 0.03 0.00 0.00 46.19 44.22 1n6f s LEU 108 CO 0.06 0.30 -0.16 -0.31 0.23 0.00 0.00 176.35 176.47 1n6f s TYR 109 N -1.02 1.50 -0.13 0.29 1.51 0.14 -0.07 117.35 119.57 1n6f s TYR 109 Ca 0.18 -0.49 -0.03 0.00 -1.01 0.00 0.00 57.07 55.72 1n6f s TYR 109 Cb -0.11 -0.80 -0.03 0.00 -0.11 0.00 0.00 41.96 40.91 1n6f s TYR 109 CO 0.08 0.16 -0.02 -0.06 -1.11 0.00 0.00 175.55 174.60 1n6f s PHE 110 N -1.70 3.07 -0.06 2.71 2.99 0.15 0.21 117.98 125.35 1n6f s PHE 110 Ca 0.07 -0.07 0.05 0.00 0.00 0.00 0.00 56.93 56.97 1n6f s PHE 110 Cb -0.07 -1.89 -0.02 0.00 0.00 0.00 0.00 43.02 41.04 1n6f s PHE 110 CO 0.04 0.18 -0.21 -0.47 -0.00 0.00 0.00 175.22 174.76 1n6f s TYR 111 N -0.16 2.54 -0.30 0.36 5.04 0.48 -1.36 117.35 123.96 1n6f s TYR 111 Ca 0.04 -0.56 0.02 0.00 -2.44 0.00 0.00 57.07 54.13 1n6f s TYR 111 Cb -0.13 -1.63 0.07 0.00 0.35 0.00 0.00 41.96 40.62 1n6f s TYR 111 CO 0.02 -0.11 -0.03 1.21 -1.34 0.00 0.00 175.55 175.30 1n6f s ASN 112 N -0.26 4.64 0.00 4.32 2.47 -0.30 -0.36 114.94 125.45 1n6f s ASN 112 Ca -0.00 -1.63 0.10 0.00 0.42 0.00 0.00 52.86 51.75 1n6f s ASN 112 Cb -0.13 -1.61 0.49 0.00 -1.45 0.00 0.00 41.25 38.55 1n6f s ASN 112 CO 0.03 -0.27 1.21 0.61 -3.72 0.00 0.00 177.10 174.96 1n6f n GLY 113 N 4.42 -0.63 0.10 1.21 0.00 -1.20 -0.50 105.19 108.59 1n6f n GLY 113 Ca -0.08 -0.05 -0.15 0.00 0.00 0.00 0.00 46.02 45.74 1n6f n GLY 113 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1n6f h GLU 114 N 0.00 0.20 0.00 1.61 4.81 -1.93 -3.38 114.58 115.89 1n6f h GLU 114 Ca 0.00 -0.20 0.00 0.00 -0.13 0.00 0.00 59.36 59.03 1n6f h GLU 114 Cb 0.10 0.05 0.00 0.00 0.63 0.00 0.00 28.75 29.53 1n6f h GLU 114 CO 0.00 0.91 0.00 0.27 -0.73 0.00 0.00 179.01 179.46 1n6f n ASN 115 N -4.49 1.49 -0.48 1.04 0.23 -1.15 -4.99 115.26 106.91 1n6f n ASN 115 Ca -0.09 -1.52 -0.06 0.00 -0.53 0.00 0.00 54.58 52.37 1n6f n ASN 115 Cb 0.50 0.00 -0.03 0.00 -2.08 0.00 0.00 39.78 38.18 1n6f n ASN 115 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1n6f n GLY 116 N -0.26 0.80 3.75 4.83 0.00 0.35 -4.97 105.19 109.69 1n6f n GLY 116 Ca 0.00 -0.31 -0.41 0.00 0.00 0.00 0.00 46.02 45.31 1n6f n GLY 116 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1n6f s GLU 117 N -2.11 4.46 0.03 1.61 2.12 -1.16 -4.82 118.70 118.83 1n6f s GLU 117 Ca 0.00 2.01 0.07 0.00 0.36 0.00 0.00 54.97 57.42 1n6f s GLU 117 Cb 0.00 -3.16 -0.02 0.00 0.26 0.00 0.00 34.13 31.21 1n6f s GLU 117 CO 0.00 -0.08 -0.22 -1.50 -0.54 0.00 0.00 175.26 172.93 1n6f s ILE 118 N -0.69 1.74 -0.23 -3.70 1.10 -1.26 -1.15 121.20 117.00 1n6f s ILE 118 Ca 0.50 -1.17 -0.21 0.00 -0.51 0.00 0.00 60.65 59.26 1n6f s ILE 118 Cb -0.36 -1.49 0.06 0.00 0.15 0.00 0.00 42.46 40.82 1n6f s ILE 118 CO 0.44 0.28 0.62 -0.75 -2.11 0.00 0.00 174.94 173.42 1n6f s LYS 119 N -1.06 0.71 0.09 3.50 2.20 -0.46 -4.98 119.74 119.74 1n6f s LYS 119 Ca 0.08 0.89 -0.29 0.00 -0.36 0.00 0.00 55.97 56.30 1n6f s LYS 119 Cb -0.09 0.32 -0.05 0.00 -1.51 0.00 0.00 37.83 36.49 1n6f s LYS 119 CO 0.01 -0.10 0.92 0.50 -0.36 0.00 0.00 175.35 176.32 1n6f s ARG 120 N 0.50 4.64 -0.18 4.03 3.52 -1.26 0.34 118.95 130.53 1n6f s ARG 120 Ca -0.01 1.36 0.05 0.00 -0.13 0.00 0.00 55.73 57.00 1n6f s ARG 120 Cb -0.05 -3.38 -0.15 0.00 -1.56 0.00 0.00 34.95 29.82 1n6f s ARG 120 CO -0.02 0.21 -0.10 -0.89 -0.81 0.00 0.00 175.30 173.70 1n6f n ILE 121 N 2.88 1.08 -4.62 4.11 -0.00 0.90 -4.90 119.36 118.80 1n6f n ILE 121 Ca 0.01 -0.50 -0.31 0.00 -0.00 0.00 0.00 62.75 61.96 1n6f n ILE 121 Cb 0.50 -0.99 -0.12 0.00 -0.00 0.00 0.00 39.64 39.02 1n6f n ILE 121 CO 0.00 0.00 0.00 0.42 -0.00 0.00 0.00 176.55 176.97 1n6f s THR 122 N -2.38 2.85 -0.31 1.39 -4.23 -1.16 -4.22 115.64 107.59 1n6f s THR 122 Ca -0.20 -1.18 0.15 0.00 -1.18 0.00 0.00 61.69 59.28 1n6f s THR 122 Cb 0.06 -2.21 0.47 0.00 1.34 0.00 0.00 72.50 72.16 1n6f s THR 122 CO 0.50 0.33 1.10 -1.22 -0.54 0.00 0.00 174.62 174.79 1n6f n TYR 123 N 1.50 1.99 0.07 3.99 4.02 -1.26 -4.37 117.16 123.10 1n6f n TYR 123 Ca -0.16 -2.45 0.01 0.00 -0.01 0.00 0.00 57.90 55.29 1n6f n TYR 123 Cb 0.52 -0.27 -0.05 0.00 -0.02 0.00 0.00 39.34 39.53 1n6f n TYR 123 CO 0.00 0.00 0.00 0.74 -1.01 0.00 0.00 176.86 176.59 1n6f h PHE 124 N 2.57 0.00 -5.87 -0.72 0.05 -1.87 -3.41 116.94 107.68 1n6f h PHE 124 Ca 0.08 0.00 -0.38 0.00 3.82 0.00 0.00 57.97 61.49 1n6f h PHE 124 Cb 1.27 0.00 0.11 0.00 2.00 0.00 0.00 35.95 39.33 1n6f h PHE 124 CO 0.65 0.52 -0.78 0.45 -0.18 0.00 0.00 178.31 178.96 1n6f n SER 125 N -2.96 -2.39 -4.66 2.17 2.88 -1.25 -4.73 113.62 102.68 1n6f n SER 125 Ca -0.06 -0.69 -0.45 0.00 -1.33 0.00 0.00 58.87 56.34 1n6f n SER 125 Cb 0.79 -4.65 -0.03 0.00 -0.75 0.00 0.00 64.21 59.58 1n6f n SER 125 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1n6f n GLY 126 N -1.43 0.64 3.76 0.46 0.00 -0.76 -4.62 105.19 103.24 1n6f n GLY 126 Ca -0.24 0.49 -0.39 0.00 0.00 0.00 0.00 46.02 45.88 1n6f n GLY 126 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1n6f s LYS 127 N -0.48 4.76 0.07 1.61 1.02 -1.26 -1.20 119.74 124.25 1n6f s LYS 127 Ca 0.68 1.50 -0.09 0.00 0.02 0.00 0.00 55.97 58.09 1n6f s LYS 127 Cb -0.68 -3.15 -0.00 0.00 -0.52 0.00 0.00 37.83 33.48 1n6f s LYS 127 CO 0.51 0.41 0.18 -1.54 -0.92 0.00 0.00 175.35 173.99 1n6f s SER 128 N -1.24 0.10 0.33 2.83 1.04 -0.54 -4.42 113.70 111.80 1n6f s SER 128 Ca 0.44 -0.54 0.05 0.00 0.48 0.00 0.00 55.95 56.38 1n6f s SER 128 Cb -0.25 0.31 -0.03 0.00 0.10 0.00 0.00 66.02 66.15 1n6f s SER 128 CO 0.31 -0.65 0.22 0.42 0.98 0.00 0.00 173.24 174.52 1n6f s THR 129 N -3.30 0.17 0.15 2.02 -4.23 -1.10 -4.28 115.64 105.07 1n6f s THR 129 Ca 0.01 -2.00 -0.17 0.00 -1.18 0.00 0.00 61.69 58.35 1n6f s THR 129 Cb 0.02 -2.46 0.02 0.00 1.34 0.00 0.00 72.50 71.42 1n6f s THR 129 CO -0.08 0.00 1.74 1.23 -0.54 0.00 0.00 174.62 176.97 1n6f h GLY 130 N 2.11 0.40 0.70 3.99 0.00 -1.90 -2.97 103.07 105.40 1n6f h GLY 130 Ca -0.29 -0.04 0.00 0.00 0.00 0.00 0.00 47.33 47.00 1n6f h GLY 130 CO 0.44 0.00 -0.47 -0.96 0.00 0.00 0.00 176.54 175.55 1n6f n ARG 131 N -5.06 0.24 -3.28 4.80 1.85 -1.26 -4.41 116.66 109.54 1n6f n ARG 131 Ca 0.01 -0.15 -0.25 0.00 -1.00 0.00 0.00 57.85 56.46 1n6f n ARG 131 Cb 0.13 -1.50 -0.07 0.00 -1.05 0.00 0.00 32.46 29.98 1n6f n ARG 131 CO 0.00 0.00 0.00 0.54 -0.01 0.00 0.00 177.63 178.16 1n6f n ARG 132 N -1.25 1.58 -1.63 2.89 1.74 -1.13 -4.99 116.66 113.87 1n6f n ARG 132 Ca 0.07 -3.91 -0.41 0.00 -0.77 0.00 0.00 57.85 52.83 1n6f n ARG 132 Cb 0.34 -1.71 -0.01 0.00 -1.02 0.00 0.00 32.46 30.06 1n6f n ARG 132 CO 0.00 0.00 0.00 -1.33 -1.52 0.00 0.00 177.63 174.78 1n6f n MET 133 N 1.08 2.92 -1.23 5.56 2.81 -1.18 -2.69 117.12 124.39 1n6f n MET 133 Ca 0.25 -2.49 -0.29 0.00 -1.81 0.00 0.00 57.70 53.36 1n6f n MET 133 Cb 0.48 -3.19 0.20 0.00 -0.71 0.00 0.00 33.22 30.00 1n6f n MET 133 CO 0.00 0.00 0.00 -0.06 1.51 0.00 0.00 175.97 177.42 1n6f s PHE 134 N 3.11 1.41 -0.37 2.03 2.99 -1.26 -4.62 117.98 121.27 1n6f s PHE 134 Ca 0.51 0.70 -0.14 0.00 0.00 0.00 0.00 56.93 58.00 1n6f s PHE 134 Cb 0.15 -3.43 0.02 0.00 0.00 0.00 0.00 43.02 39.76 1n6f s PHE 134 CO -0.08 -3.26 0.51 2.41 -0.00 0.00 0.00 175.22 174.80 1n6f n THR 135 N -4.36 -9.81 -4.08 0.64 -1.04 -0.97 -4.85 114.28 89.80 1n6f n THR 135 Ca 0.09 0.77 -0.11 0.00 -2.04 0.00 0.00 64.05 62.76 1n6f n THR 135 Cb 0.59 -6.83 -0.04 0.00 -1.82 0.00 0.00 70.33 62.22 1n6f n THR 135 CO 0.00 0.00 0.00 -0.67 -0.64 0.00 0.00 175.07 173.76 1n6f n ASP 136 N -0.33 -0.60 -4.72 8.00 4.64 -0.33 -4.76 116.55 118.45 1n6f n ASP 136 Ca 0.10 -2.34 -0.41 0.00 -1.38 0.00 0.00 54.79 50.76 1n6f n ASP 136 Cb 0.39 1.26 -0.04 0.00 -1.04 0.00 0.00 41.12 41.69 1n6f n ASP 136 CO 0.00 0.00 0.00 -0.69 -0.82 0.00 0.00 177.20 175.69 1n6f s VAL 137 N -2.80 4.66 -0.23 5.18 1.01 -1.26 -1.29 120.40 125.66 1n6f s VAL 137 Ca 0.23 1.99 0.00 0.00 0.00 0.00 0.00 61.98 64.21 1n6f s VAL 137 Cb 0.01 -4.29 -0.19 0.00 0.00 0.00 0.00 36.38 31.91 1n6f s VAL 137 CO 0.16 0.27 -0.11 0.00 0.00 0.00 0.00 175.10 175.43 1n6f n ALA 138 N 3.15 1.33 0.00 5.51 0.00 0.10 -4.78 120.51 125.82 1n6f n ALA 138 Ca 0.03 -1.01 0.00 0.00 0.00 0.00 0.00 53.44 52.46 1n6f n ALA 138 Cb 0.50 -0.22 0.00 0.00 0.00 0.00 0.00 19.45 19.73 1n6f n ALA 138 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1n6f n GLY 139 N 2.20 -1.09 3.03 0.00 0.00 -0.57 -1.81 105.19 106.95 1n6f n GLY 139 Ca -0.43 -1.10 -0.22 0.00 0.00 0.00 0.00 46.02 44.27 1n6f n GLY 139 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1n6f s PHE 140 N -3.00 1.18 0.89 1.61 0.40 -1.26 -0.07 117.98 117.73 1n6f s PHE 140 Ca 0.00 -0.33 -0.12 0.00 -0.60 0.00 0.00 56.93 55.88 1n6f s PHE 140 Cb 0.00 -0.84 0.13 0.00 0.51 0.00 0.00 43.02 42.82 1n6f s PHE 140 CO 0.00 -0.14 1.14 0.16 0.70 0.00 0.00 175.22 177.08 1n6f s ASP 141 N 0.27 3.69 0.46 1.36 3.84 -0.29 -4.69 116.67 121.30 1n6f s ASP 141 Ca -0.05 0.95 0.18 0.00 -0.00 0.00 0.00 52.55 53.63 1n6f s ASP 141 Cb -0.11 -1.52 1.14 0.00 -1.38 0.00 0.00 42.92 41.06 1n6f s ASP 141 CO 0.01 -2.44 1.95 -0.65 -0.00 0.00 0.00 175.17 174.04 1n6f h PRO 142 N -1.42 0.29 0.00 2.11 0.11 -1.98 0.20 132.00 131.32 1n6f h PRO 142 Ca -0.50 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.60 1n6f h PRO 142 Cb 1.33 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.37 1n6f h PRO 142 CO 0.62 0.19 0.00 -0.25 -0.21 0.00 0.00 178.00 178.36 1n6f n ASP 143 N -4.45 0.00 0.00 -2.05 10.43 -1.26 -4.86 116.55 114.36 1n6f n ASP 143 Ca 0.13 -1.07 0.00 0.00 2.57 0.00 0.00 54.79 56.42 1n6f n ASP 143 Cb 0.53 0.00 0.00 0.00 1.84 0.00 0.00 41.12 43.49 1n6f n ASP 143 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 1n6f n GLY 144 N 0.67 0.53 3.84 0.44 0.00 0.06 -5.04 105.19 105.68 1n6f n GLY 144 Ca 0.16 -0.62 -0.35 0.00 0.00 0.00 0.00 46.02 45.21 1n6f n GLY 144 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1n6f s ASN 145 N -2.56 6.86 0.19 1.61 -0.87 -1.25 -4.77 114.94 114.14 1n6f s ASN 145 Ca 0.00 1.12 -0.30 0.00 -1.57 0.00 0.00 52.86 52.11 1n6f s ASN 145 Cb 0.00 -2.31 -0.08 0.00 -0.02 0.00 0.00 41.25 38.85 1n6f s ASN 145 CO 0.00 0.10 1.16 -0.22 -2.57 0.00 0.00 177.10 175.57 1n6f s LEU 146 N -1.94 4.47 -0.22 0.60 2.96 -1.26 -1.14 118.68 122.15 1n6f s LEU 146 Ca 0.38 2.19 0.01 0.00 -0.22 0.00 0.00 54.13 56.49 1n6f s LEU 146 Cb -0.15 -3.61 0.03 0.00 0.50 0.00 0.00 46.19 42.96 1n6f s LEU 146 CO 0.19 -0.31 -0.14 -0.63 -1.32 0.00 0.00 176.35 174.15 1n6f s ILE 147 N -0.18 2.34 0.31 6.68 -1.09 0.90 -0.88 121.20 129.29 1n6f s ILE 147 Ca 0.51 -1.13 0.07 0.00 -2.23 0.00 0.00 60.65 57.87 1n6f s ILE 147 Cb -0.31 -2.15 -0.02 0.00 -1.58 0.00 0.00 42.46 38.40 1n6f s ILE 147 CO 0.36 0.30 0.35 0.27 -1.23 0.00 0.00 174.94 174.99 1n6f s ILE 148 N 1.25 4.06 -0.21 2.92 -4.36 0.12 0.00 121.20 124.99 1n6f s ILE 148 Ca 0.00 -1.19 0.01 0.00 -0.26 0.00 0.00 60.65 59.21 1n6f s ILE 148 Cb -0.16 -3.38 0.05 0.00 1.25 0.00 0.00 42.46 40.22 1n6f s ILE 148 CO -0.08 -0.21 -0.10 -0.55 0.24 0.00 0.00 174.94 174.24 1n6f s SER 149 N -4.04 3.50 0.05 4.36 0.15 -0.41 -0.55 113.70 116.76 1n6f s SER 149 Ca 0.41 -0.95 -0.10 0.00 0.70 0.00 0.00 55.95 56.01 1n6f s SER 149 Cb -0.08 -1.24 0.01 0.00 -1.71 0.00 0.00 66.02 63.00 1n6f s SER 149 CO 0.28 -0.16 0.22 0.28 1.20 0.00 0.00 173.24 175.06 1n6f s THR 150 N 1.38 0.11 -0.89 6.45 -1.32 -0.76 -1.19 115.64 119.41 1n6f s THR 150 Ca -0.02 -0.89 0.09 0.00 -1.21 0.00 0.00 61.69 59.66 1n6f s THR 150 Cb -0.17 -0.98 0.18 0.00 -1.51 0.00 0.00 72.50 70.03 1n6f s THR 150 CO -0.08 -0.49 1.05 -0.90 -2.21 0.00 0.00 174.62 172.00 1n6f n ASP 151 N 0.55 2.39 -0.32 8.08 5.75 -1.26 -1.75 116.55 129.99 1n6f n ASP 151 Ca -0.18 -1.77 0.16 0.00 -0.01 0.00 0.00 54.79 52.99 1n6f n ASP 151 Cb 0.60 -0.12 0.36 0.00 -1.03 0.00 0.00 41.12 40.92 1n6f n ASP 151 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1n6f h ALA 152 N 1.70 1.58 -0.77 2.12 0.00 -1.93 0.19 119.26 122.16 1n6f h ALA 152 Ca 0.00 0.18 -0.43 0.00 0.00 0.00 0.00 54.91 54.65 1n6f h ALA 152 Cb 0.57 0.16 -0.25 0.00 0.00 0.00 0.00 17.79 18.28 1n6f h ALA 152 CO 0.00 -0.41 0.35 -1.33 0.00 0.00 0.00 179.25 177.86 1n6f n MET 153 N -5.06 2.25 -4.45 0.00 2.81 -1.26 -4.92 117.12 106.48 1n6f n MET 153 Ca 0.25 -3.18 -0.24 0.00 -1.81 0.00 0.00 57.70 52.72 1n6f n MET 153 Cb 0.75 -2.08 -0.10 0.00 -0.71 0.00 0.00 33.22 31.08 1n6f n MET 153 CO 0.00 0.00 0.00 -0.65 1.51 0.00 0.00 175.97 176.83 1n6f s GLN 154 N -3.38 1.63 0.19 0.03 -1.52 0.65 -5.04 119.66 112.22 1n6f s GLN 154 Ca 0.54 -1.72 -0.04 0.00 -1.95 0.00 0.00 55.36 52.19 1n6f s GLN 154 Cb 0.46 -1.74 0.11 0.00 -0.22 0.00 0.00 33.01 31.62 1n6f s GLN 154 CO 0.05 0.33 1.51 -1.00 -0.25 0.00 0.00 175.29 175.93 1n6f h PRO 155 N 2.42 0.59 -6.54 2.91 0.13 -1.86 -3.45 132.00 126.20 1n6f h PRO 155 Ca -0.41 -0.36 -0.69 0.00 -0.87 0.00 0.00 66.00 63.68 1n6f h PRO 155 Cb 1.25 0.04 -0.22 0.00 0.13 0.00 0.00 31.00 32.19 1n6f h PRO 155 CO 0.58 0.96 -0.80 -0.06 -0.23 0.00 0.00 178.00 178.45 1n6f s PHE 156 N -4.05 2.57 0.17 1.56 0.40 -1.26 -4.72 117.98 112.65 1n6f s PHE 156 Ca -0.08 -0.25 -0.14 0.00 -0.60 0.00 0.00 56.93 55.87 1n6f s PHE 156 Cb 0.11 -1.49 0.07 0.00 0.51 0.00 0.00 43.02 42.22 1n6f s PHE 156 CO 0.84 0.23 1.82 0.66 0.70 0.00 0.00 175.22 179.47 1n6f h SER 157 N 4.69 0.64 0.00 1.36 4.64 -1.89 -1.32 113.55 121.66 1n6f h SER 157 Ca -0.47 -0.04 0.00 0.00 -0.47 0.00 0.00 61.79 60.81 1n6f h SER 157 Cb 1.15 -0.16 0.00 0.00 -0.31 0.00 0.00 62.40 63.08 1n6f h SER 157 CO 0.48 0.49 0.23 0.28 -0.87 0.00 0.00 176.83 177.44 1n6f h SER 158 N 0.73 0.00 0.00 4.97 0.02 -1.97 -3.25 113.55 114.05 1n6f h SER 158 Ca 0.19 0.00 -0.60 0.00 -0.84 0.00 0.00 61.79 60.55 1n6f h SER 158 Cb -0.04 0.00 0.02 0.00 0.14 0.00 0.00 62.40 62.52 1n6f h SER 158 CO -0.04 0.00 3.30 0.23 -1.14 0.00 0.00 176.83 179.18 1n6f n MET 159 N -2.78 3.41 -2.29 3.45 2.81 -0.50 -4.85 117.12 116.37 1n6f n MET 159 Ca -0.02 -2.01 -0.35 0.00 -1.81 0.00 0.00 57.70 53.51 1n6f n MET 159 Cb 0.27 -2.68 -0.03 0.00 -0.71 0.00 0.00 33.22 30.07 1n6f n MET 159 CO 0.00 0.00 0.00 0.95 1.51 0.00 0.00 175.97 178.43 1n6f s THR 160 N 2.12 3.79 0.61 2.03 -4.23 -1.23 -4.24 115.64 114.49 1n6f s THR 160 Ca 0.68 -1.32 -0.16 0.00 -1.18 0.00 0.00 61.69 59.71 1n6f s THR 160 Cb 0.19 -4.83 -0.03 0.00 1.34 0.00 0.00 72.50 69.17 1n6f s THR 160 CO -0.05 -1.45 1.09 0.00 -0.54 0.00 0.00 174.62 173.67 1n6f s LEU 162 N -4.49 4.44 0.03 0.00 1.43 -1.26 -1.83 118.68 117.00 1n6f s LEU 162 Ca 0.66 1.20 0.02 0.00 -1.03 0.00 0.00 54.13 54.98 1n6f s LEU 162 Cb -0.19 -2.93 -0.02 0.00 0.03 0.00 0.00 46.19 43.08 1n6f s LEU 162 CO 0.36 0.13 -0.06 -0.31 0.23 0.00 0.00 176.35 176.71 1n6f s TYR 163 N -0.38 0.54 -0.26 0.29 2.02 0.28 -1.60 117.35 118.25 1n6f s TYR 163 Ca 0.31 -0.44 -0.11 0.00 -0.37 0.00 0.00 57.07 56.46 1n6f s TYR 163 Cb -0.19 -0.33 -0.05 0.00 -0.40 0.00 0.00 41.96 40.99 1n6f s TYR 163 CO 0.18 -0.09 0.17 0.50 -1.57 0.00 0.00 175.55 174.74 1n6f s ARG 164 N -1.33 4.01 0.09 -0.62 3.52 0.29 0.15 118.95 125.06 1n6f s ARG 164 Ca -0.09 -0.30 -0.30 0.00 -0.13 0.00 0.00 55.73 54.91 1n6f s ARG 164 Cb -0.09 -3.60 -0.06 0.00 -1.56 0.00 0.00 34.95 29.65 1n6f s ARG 164 CO 0.00 -0.06 1.13 0.08 -0.81 0.00 0.00 175.30 175.64 1n6f s VAL 165 N 1.41 4.11 -0.01 7.11 1.01 -0.06 -2.10 120.40 131.87 1n6f s VAL 165 Ca 0.07 1.61 0.04 0.00 0.00 0.00 0.00 61.98 63.70 1n6f s VAL 165 Cb -0.15 -4.03 -0.01 0.00 0.00 0.00 0.00 36.38 32.19 1n6f s VAL 165 CO 0.08 0.18 -0.13 -1.61 0.00 0.00 0.00 175.10 173.61 1n6f s GLU 166 N 0.58 1.04 -1.40 2.72 2.02 -0.65 -4.57 118.70 118.45 1n6f s GLU 166 Ca 0.55 -0.46 -0.06 0.00 0.02 0.00 0.00 54.97 55.02 1n6f s GLU 166 Cb -0.28 -1.01 0.03 0.00 0.10 0.00 0.00 34.13 32.97 1n6f s GLU 166 CO 0.31 0.28 0.84 0.09 0.02 0.00 0.00 175.26 176.79 1n6f n ASN 167 N 2.77 -2.81 -1.83 -0.19 3.02 -1.26 -1.51 115.26 113.44 1n6f n ASN 167 Ca -0.14 -0.79 -0.19 0.00 -0.03 0.00 0.00 54.58 53.43 1n6f n ASN 167 Cb 0.56 -4.05 -0.06 0.00 -0.61 0.00 0.00 39.78 35.62 1n6f n ASN 167 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 1n6f n ASP 168 N -2.97 -5.24 0.00 6.41 10.43 -1.26 -2.54 116.55 121.38 1n6f n ASP 168 Ca -0.15 0.33 0.00 0.00 2.57 0.00 0.00 54.79 57.54 1n6f n ASP 168 Cb 0.61 -4.57 0.00 0.00 1.84 0.00 0.00 41.12 39.01 1n6f n ASP 168 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 1n6f n GLY 169 N -0.56 1.17 0.12 0.44 0.00 -0.66 -4.48 105.19 101.22 1n6f n GLY 169 Ca -0.21 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.70 1n6f n GLY 169 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1n6f h ILE 170 N 0.00 1.27 -3.93 -0.61 1.08 -0.98 -3.46 117.51 110.89 1n6f h ILE 170 Ca 0.00 -0.92 -0.27 0.00 -0.39 0.00 0.00 64.86 63.28 1n6f h ILE 170 Cb 0.00 1.58 -0.20 0.00 -3.07 0.00 0.00 36.82 35.13 1n6f h ILE 170 CO 0.00 0.27 -0.73 0.21 -0.69 0.00 0.00 178.15 177.21 1n6f s ASN 171 N -5.83 0.96 -0.10 1.72 2.47 -1.13 -4.72 114.94 108.31 1n6f s ASN 171 Ca -0.14 -0.65 0.01 0.00 0.42 0.00 0.00 52.86 52.49 1n6f s ASN 171 Cb 0.06 0.04 0.02 0.00 -1.45 0.00 0.00 41.25 39.92 1n6f s ASN 171 CO 0.72 -0.25 -0.11 -0.36 -3.72 0.00 0.00 177.10 173.37 1n6f s PHE 172 N -1.87 1.64 -0.26 0.43 0.40 -1.26 -1.64 117.98 115.42 1n6f s PHE 172 Ca -0.05 -0.76 -0.08 0.00 -0.60 0.00 0.00 56.93 55.45 1n6f s PHE 172 Cb -0.07 -1.25 -0.03 0.00 0.51 0.00 0.00 43.02 42.18 1n6f s PHE 172 CO -0.01 -0.44 0.09 0.08 0.70 0.00 0.00 175.22 175.65 1n6f s VAL 173 N 1.19 4.47 0.28 -0.44 1.01 -0.89 -4.91 120.40 121.11 1n6f s VAL 173 Ca -0.04 -0.15 -0.29 0.00 0.00 0.00 0.00 61.98 61.49 1n6f s VAL 173 Cb -0.14 -3.12 -0.10 0.00 0.00 0.00 0.00 36.38 33.03 1n6f s VAL 173 CO -0.03 0.30 1.26 -2.16 0.00 0.00 0.00 175.10 174.46 1n6f s PRO 174 N 1.63 4.44 0.00 2.72 0.04 -1.26 -0.54 135.00 142.02 1n6f s PRO 174 Ca 0.06 2.07 0.26 0.00 0.04 0.00 0.00 61.00 63.43 1n6f s PRO 174 Cb -0.15 -3.13 0.71 0.00 0.04 0.00 0.00 34.50 31.96 1n6f s PRO 174 CO 0.05 -0.10 1.54 1.28 0.04 0.00 0.00 177.00 179.80 1n6f n LEU 175 N 1.39 1.07 -4.33 -3.56 4.77 -0.63 -4.92 117.00 110.80 1n6f n LEU 175 Ca 0.01 -0.29 -0.34 0.00 -0.03 0.00 0.00 56.01 55.37 1n6f n LEU 175 Cb 0.43 -0.12 -0.08 0.00 -2.33 0.00 0.00 43.42 41.32 1n6f n LEU 175 CO 0.57 0.20 -0.35 0.59 -1.33 0.00 0.00 177.39 177.08 1n6f n ASN 176 N -0.63 -0.13 -0.62 -1.43 4.13 -1.26 -4.81 115.26 110.51 1n6f n ASN 176 Ca 0.12 -1.22 0.07 0.00 1.68 0.00 0.00 54.58 55.22 1n6f n ASN 176 Cb 0.35 -1.83 0.09 0.00 -1.54 0.00 0.00 39.78 36.85 1n6f n ASN 176 CO 0.00 0.00 0.00 0.18 0.28 0.00 0.00 177.26 177.72 1n6f n LEU 177 N -4.43 2.40 0.00 3.41 4.77 -1.26 -2.57 117.00 119.32 1n6f n LEU 177 Ca -0.19 -1.24 0.00 0.00 -0.03 0.00 0.00 56.01 54.55 1n6f n LEU 177 Cb 0.62 -0.07 0.00 0.00 -2.33 0.00 0.00 43.42 41.65 1n6f n LEU 177 CO 0.87 0.49 0.00 0.61 -1.33 0.00 0.00 177.39 178.03 1n6f n GLY 178 N 0.78 -0.47 3.73 -0.72 0.00 -1.26 -4.33 105.19 102.93 1n6f n GLY 178 Ca 0.10 -1.79 -0.42 0.00 0.00 0.00 0.00 46.02 43.90 1n6f n GLY 178 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1n6f n PRO 179 N -0.51 2.41 -3.63 1.61 -0.04 -1.26 -4.11 135.00 129.48 1n6f n PRO 179 Ca 0.00 0.85 -0.16 0.00 -0.04 0.00 0.00 63.50 64.15 1n6f n PRO 179 Cb 0.00 -2.51 -0.07 0.00 -0.04 0.00 0.00 33.50 30.88 1n6f n PRO 179 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1n6f s ALA 180 N -0.96 -1.34 -0.14 0.55 0.00 -0.57 -4.83 121.76 114.48 1n6f s ALA 180 Ca 0.56 0.88 0.06 0.00 0.00 0.00 0.00 51.96 53.46 1n6f s ALA 180 Cb -0.53 0.04 -0.13 0.00 0.00 0.00 0.00 23.12 22.51 1n6f s ALA 180 CO 0.61 -0.32 -0.05 2.41 0.00 0.00 0.00 175.76 178.41 1n6f n THR 181 N 1.06 0.86 -4.31 0.00 -1.04 0.14 -4.76 114.28 106.23 1n6f n THR 181 Ca -0.20 -0.43 -0.19 0.00 -2.04 0.00 0.00 64.05 61.19 1n6f n THR 181 Cb 0.57 -0.86 -0.13 0.00 -1.82 0.00 0.00 70.33 68.08 1n6f n THR 181 CO 0.00 0.00 0.00 -1.00 -0.64 0.00 0.00 175.07 173.43 1n6f s HIS 182 N -2.30 1.15 -0.06 -1.42 3.76 -0.94 -4.54 115.29 110.94 1n6f s HIS 182 Ca -0.13 -0.36 -0.01 0.00 -0.15 0.00 0.00 55.06 54.41 1n6f s HIS 182 Cb 0.04 -0.68 0.03 0.00 1.11 0.00 0.00 32.58 33.08 1n6f s HIS 182 CO 0.43 0.03 0.00 -1.50 -0.85 0.00 0.00 174.74 172.85 1n6f s ILE 183 N -0.89 0.35 0.12 0.60 1.10 -0.75 -0.56 121.20 121.16 1n6f s ILE 183 Ca 0.00 0.11 0.08 0.00 -0.51 0.00 0.00 60.65 60.33 1n6f s ILE 183 Cb -0.08 -0.49 -0.04 0.00 0.15 0.00 0.00 42.46 42.00 1n6f s ILE 183 CO 0.01 0.24 -0.18 -0.76 -2.11 0.00 0.00 174.94 172.14 1n6f s LEU 184 N 1.80 2.35 -0.17 8.50 1.43 -0.11 -4.27 118.68 128.20 1n6f s LEU 184 Ca 0.02 -0.74 0.00 0.00 -1.03 0.00 0.00 54.13 52.38 1n6f s LEU 184 Cb -0.13 -0.77 0.00 0.00 0.03 0.00 0.00 46.19 45.33 1n6f s LEU 184 CO -0.04 -0.01 -0.16 -0.36 0.23 0.00 0.00 176.35 176.01 1n6f s PHE 185 N -1.55 2.80 -0.15 0.29 0.40 -1.26 0.87 117.98 119.38 1n6f s PHE 185 Ca 0.08 -1.24 -0.00 0.00 -0.60 0.00 0.00 56.93 55.17 1n6f s PHE 185 Cb -0.08 -1.93 0.04 0.00 0.51 0.00 0.00 43.02 41.56 1n6f s PHE 185 CO 0.04 -0.60 -0.06 0.00 0.70 0.00 0.00 175.22 175.30 1n6f s ALA 186 N 1.07 1.48 -1.48 5.36 0.00 -0.28 -4.81 121.76 123.09 1n6f s ALA 186 Ca -0.00 -0.77 -0.10 0.00 0.00 0.00 0.00 51.96 51.08 1n6f s ALA 186 Cb -0.14 -1.07 0.06 0.00 0.00 0.00 0.00 23.12 21.97 1n6f s ALA 186 CO -0.05 -0.67 0.88 -0.25 0.00 0.00 0.00 175.76 175.66 1n6f n ASP 187 N 4.88 -3.59 0.00 0.00 8.00 -1.26 -0.14 116.55 124.44 1n6f n ASP 187 Ca -0.12 -0.81 0.00 0.00 0.71 0.00 0.00 54.79 54.57 1n6f n ASP 187 Cb 0.48 -3.84 0.00 0.00 -0.02 0.00 0.00 41.12 37.74 1n6f n ASP 187 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1n6f n GLY 188 N -1.67 0.59 3.90 0.44 0.00 -1.26 -4.99 105.19 102.20 1n6f n GLY 188 Ca -0.06 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.64 1n6f n GLY 188 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1n6f s ARG 189 N -0.39 3.56 -0.23 1.61 0.52 0.80 -5.08 118.95 119.74 1n6f s ARG 189 Ca 0.00 -0.19 -0.12 0.00 -0.52 0.00 0.00 55.73 54.90 1n6f s ARG 189 Cb 0.00 -2.91 -0.05 0.00 0.52 0.00 0.00 34.95 32.51 1n6f s ARG 189 CO 0.00 0.52 0.21 1.03 0.02 0.00 0.00 175.30 177.07 1n6f s ARG 190 N -2.58 4.11 -0.17 3.54 0.52 -1.26 -1.13 118.95 121.98 1n6f s ARG 190 Ca 0.39 -0.17 -0.07 0.00 -0.52 0.00 0.00 55.73 55.36 1n6f s ARG 190 Cb -0.12 -3.52 -0.04 0.00 0.52 0.00 0.00 34.95 31.78 1n6f s ARG 190 CO 0.25 0.07 0.06 0.08 0.02 0.00 0.00 175.30 175.79 1n6f s VAL 191 N 1.02 4.80 -0.11 3.52 1.01 0.25 -1.25 120.40 129.63 1n6f s VAL 191 Ca 0.10 -0.04 0.03 0.00 0.00 0.00 0.00 61.98 62.07 1n6f s VAL 191 Cb -0.13 -3.15 0.01 0.00 0.00 0.00 0.00 36.38 33.11 1n6f s VAL 191 CO 0.04 0.48 -0.20 -0.63 0.00 0.00 0.00 175.10 174.79 1n6f s ILE 192 N 0.18 1.85 -0.31 2.22 1.01 0.37 -0.93 121.20 125.58 1n6f s ILE 192 Ca 0.04 -0.87 -0.10 0.00 0.00 0.00 0.00 60.65 59.72 1n6f s ILE 192 Cb -0.12 -1.63 -0.01 0.00 0.01 0.00 0.00 42.46 40.70 1n6f s ILE 192 CO 0.00 0.51 0.17 -0.83 0.00 0.00 0.00 174.94 174.80 1n6f s GLY 193 N 0.68 1.89 -0.30 6.18 0.00 0.28 -0.68 107.32 115.37 1n6f s GLY 193 Ca -0.12 -1.36 -0.14 0.00 0.00 0.00 0.00 44.72 43.11 1n6f s GLY 193 CO 0.02 0.70 0.31 0.50 0.00 0.00 0.00 173.10 174.63 1n6f s ARG 194 N 1.65 3.85 -1.44 2.90 0.52 0.45 0.24 118.95 127.11 1n6f s ARG 194 Ca 0.05 -0.22 -0.10 0.00 -0.52 0.00 0.00 55.73 54.94 1n6f s ARG 194 Cb -0.17 -3.70 0.03 0.00 0.52 0.00 0.00 34.95 31.63 1n6f s ARG 194 CO 0.07 -0.32 1.01 0.09 0.02 0.00 0.00 175.30 176.17 1n6f n ASN 195 N 5.25 -5.82 -1.81 0.23 5.03 -1.26 -2.24 115.26 114.64 1n6f n ASN 195 Ca -0.11 -0.56 -0.16 0.00 0.87 0.00 0.00 54.58 54.63 1n6f n ASN 195 Cb 0.51 -4.62 0.11 0.00 -1.02 0.00 0.00 39.78 34.76 1n6f n ASN 195 CO 0.00 0.00 0.00 0.35 -1.83 0.00 0.00 177.26 175.78 1n6f n THR 196 N -4.80 2.48 -2.80 3.41 -2.24 -1.26 -3.67 114.28 105.40 1n6f n THR 196 Ca -0.00 -1.32 -0.25 0.00 -2.27 0.00 0.00 64.05 60.22 1n6f n THR 196 Cb 0.56 -0.72 0.01 0.00 -2.10 0.00 0.00 70.33 68.08 1n6f n THR 196 CO 0.00 0.00 0.00 0.72 -0.57 0.00 0.00 175.07 175.22 1n6f s PHE 197 N -2.15 3.29 0.52 4.78 -0.12 -1.26 -1.60 117.98 121.45 1n6f s PHE 197 Ca 0.37 0.43 -0.21 0.00 -0.05 0.00 0.00 56.93 57.47 1n6f s PHE 197 Cb 0.31 -2.40 -0.06 0.00 -0.63 0.00 0.00 43.02 40.24 1n6f s PHE 197 CO 0.06 -0.44 1.19 -1.21 -0.05 0.00 0.00 175.22 174.77 1n6f s GLU 198 N -4.68 3.38 -0.52 1.99 0.41 -1.26 -4.77 118.70 113.25 1n6f s GLU 198 Ca 0.49 1.80 0.07 0.00 -0.41 0.00 0.00 54.97 56.92 1n6f s GLU 198 Cb -0.10 -2.16 0.34 0.00 -1.78 0.00 0.00 34.13 30.43 1n6f s GLU 198 CO 0.41 -0.87 0.89 1.28 -0.49 0.00 0.00 175.26 176.48 1n6f n LEU 199 N -1.04 3.48 -0.29 1.80 4.77 -1.26 -4.93 117.00 119.53 1n6f n LEU 199 Ca 0.10 -5.50 0.09 0.00 -0.03 0.00 0.00 56.01 50.68 1n6f n LEU 199 Cb 0.49 -0.21 0.32 0.00 -2.33 0.00 0.00 43.42 41.69 1n6f n LEU 199 CO 0.46 2.34 1.23 1.55 -1.33 0.00 0.00 177.39 181.63 1n6f h PRO 200 N 3.00 0.80 0.00 3.23 0.13 -1.93 -1.39 132.00 135.84 1n6f h PRO 200 Ca 0.12 -0.05 0.00 0.00 -0.87 0.00 0.00 66.00 65.20 1n6f h PRO 200 Cb 0.63 -0.18 0.00 0.00 0.13 0.00 0.00 31.00 31.58 1n6f h PRO 200 CO 0.73 0.53 0.00 -2.39 -0.23 0.00 0.00 178.00 176.64 1n6f n HIS 201 N -4.56 0.29 -3.29 1.56 1.44 -1.26 -3.46 115.22 105.95 1n6f n HIS 201 Ca 0.17 0.13 -0.25 0.00 -2.01 0.00 0.00 57.72 55.75 1n6f n HIS 201 Cb 0.38 -0.70 -0.08 0.00 0.12 0.00 0.00 29.99 29.71 1n6f n HIS 201 CO 0.00 0.00 0.00 1.87 -2.81 0.00 0.00 176.34 175.40 1n6f n TRP 202 N -1.78 -0.83 -2.09 -1.40 -0.00 -0.52 -3.40 117.44 107.42 1n6f n TRP 202 Ca 0.02 -3.33 -0.37 0.00 -0.00 0.00 0.00 57.50 53.81 1n6f n TRP 202 Cb 0.14 0.08 0.01 0.00 -0.00 0.00 0.00 31.31 31.54 1n6f n TRP 202 CO 0.00 0.00 0.00 0.15 -0.00 0.00 0.00 177.69 177.84 1n6f s LYS 203 N -0.40 3.51 -0.36 5.87 1.02 -1.05 -2.92 119.74 125.41 1n6f s LYS 203 Ca 0.34 1.92 0.00 0.00 0.02 0.00 0.00 55.97 58.25 1n6f s LYS 203 Cb 0.09 -2.32 0.00 0.00 -0.52 0.00 0.00 37.83 35.08 1n6f s LYS 203 CO -0.16 -0.80 0.00 0.41 -0.92 0.00 0.00 175.35 173.88 1n6f n GLY 204 N 0.53 0.64 3.71 -3.33 0.00 -1.26 -4.30 105.19 101.18 1n6f n GLY 204 Ca 0.09 -0.54 -0.43 0.00 0.00 0.00 0.00 46.02 45.14 1n6f n GLY 204 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1n6f n TYR 205 N -2.82 2.67 -1.70 1.61 9.36 -1.15 -4.89 117.16 120.25 1n6f n TYR 205 Ca -0.03 0.15 0.03 0.00 3.32 0.00 0.00 57.90 61.36 1n6f n TYR 205 Cb 0.15 -2.62 0.04 0.00 -0.63 0.00 0.00 39.34 36.28 1n6f n TYR 205 CO 0.00 0.00 0.00 0.54 0.22 0.00 0.00 176.86 177.62 1n6f n ARG 206 N 3.35 0.41 -1.80 2.98 1.74 -1.26 -2.12 116.66 119.96 1n6f n ARG 206 Ca 0.14 -1.49 -0.30 0.00 -0.77 0.00 0.00 57.85 55.43 1n6f n ARG 206 Cb 0.34 -0.81 0.20 0.00 -1.02 0.00 0.00 32.46 31.16 1n6f n ARG 206 CO 0.00 0.00 0.00 0.20 -1.52 0.00 0.00 177.63 176.31 1n6f s GLY 207 N -1.58 1.75 0.25 -0.13 0.00 -1.25 -4.44 107.32 101.91 1n6f s GLY 207 Ca 0.10 -1.17 0.20 0.00 0.00 0.00 0.00 44.72 43.85 1n6f s GLY 207 CO 0.01 -0.38 1.61 0.61 0.00 0.00 0.00 173.10 174.95 1n6f n GLY 208 N -3.34 -0.99 1.17 0.20 0.00 -0.68 -2.25 105.19 99.30 1n6f n GLY 208 Ca 0.15 0.13 0.10 0.00 0.00 0.00 0.00 46.02 46.40 1n6f n GLY 208 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1n6f n THR 209 N -2.14 0.84 -1.51 2.61 -1.04 -1.26 -4.75 114.28 107.03 1n6f n THR 209 Ca 0.00 -0.85 -0.35 0.00 -2.04 0.00 0.00 64.05 60.81 1n6f n THR 209 Cb 0.11 0.44 0.09 0.00 -1.82 0.00 0.00 70.33 69.15 1n6f n THR 209 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1n6f s ARG 210 N -1.16 2.21 0.31 -2.82 1.70 -0.95 -4.82 118.95 113.41 1n6f s ARG 210 Ca 0.42 1.93 -0.29 0.00 -0.47 0.00 0.00 55.73 57.32 1n6f s ARG 210 Cb 0.22 -1.82 -0.11 0.00 -0.57 0.00 0.00 34.95 32.67 1n6f s ARG 210 CO 0.29 -1.82 1.54 0.20 -1.08 0.00 0.00 175.30 174.43 1n6f s GLY 211 N -1.71 2.36 0.02 3.88 0.00 -1.24 -4.86 107.32 105.77 1n6f s GLY 211 Ca 0.79 1.53 -0.01 0.00 0.00 0.00 0.00 44.72 47.02 1n6f s GLY 211 CO 0.44 2.43 -0.00 0.54 0.00 0.00 0.00 173.10 176.50 1n6f s LYS 212 N -0.90 0.35 -0.11 2.90 1.02 -0.95 -3.63 119.74 118.41 1n6f s LYS 212 Ca 0.60 -0.59 0.03 0.00 0.02 0.00 0.00 55.97 56.02 1n6f s LYS 212 Cb -0.46 0.13 0.01 0.00 -0.52 0.00 0.00 37.83 36.98 1n6f s LYS 212 CO 0.51 -0.06 -0.19 0.42 -0.92 0.00 0.00 175.35 175.11 1n6f s ILE 213 N -1.51 1.72 0.29 2.17 1.01 -0.72 -0.42 121.20 123.75 1n6f s ILE 213 Ca -0.15 -0.79 0.08 0.00 0.00 0.00 0.00 60.65 59.78 1n6f s ILE 213 Cb -0.09 -1.53 -0.04 0.00 0.01 0.00 0.00 42.46 40.81 1n6f s ILE 213 CO -0.01 0.48 0.16 0.26 0.00 0.00 0.00 174.94 175.83 1n6f s TRP 214 N 0.75 2.89 -0.01 3.97 0.52 0.15 -0.75 118.94 126.45 1n6f s TRP 214 Ca -0.11 -0.23 -0.11 0.00 0.02 0.00 0.00 56.10 55.68 1n6f s TRP 214 Cb -0.16 -1.48 0.01 0.00 -1.15 0.00 0.00 33.47 30.70 1n6f s TRP 214 CO 0.02 0.44 0.21 -1.50 0.02 0.00 0.00 176.95 176.14 1n6f s ILE 215 N -2.27 0.07 0.35 2.03 2.07 -0.30 -0.48 121.20 122.67 1n6f s ILE 215 Ca 0.35 -0.58 -0.21 0.00 -1.41 0.00 0.00 60.65 58.79 1n6f s ILE 215 Cb -0.06 -0.51 -0.10 0.00 0.13 0.00 0.00 42.46 41.92 1n6f s ILE 215 CO 0.24 -0.32 0.87 -0.70 -1.91 0.00 0.00 174.94 173.12 1n6f s GLU 216 N -1.33 4.29 0.00 3.50 2.12 -0.38 -0.31 118.70 126.59 1n6f s GLU 216 Ca -0.14 1.06 0.00 0.00 0.36 0.00 0.00 54.97 56.25 1n6f s GLU 216 Cb -0.06 -2.51 0.00 0.00 0.26 0.00 0.00 34.13 31.81 1n6f s GLU 216 CO 0.03 0.16 0.00 1.33 -0.54 0.00 0.00 175.26 176.24 1n6f n VAL 217 N -0.03 0.00 0.55 3.70 0.24 -0.29 -4.72 118.33 117.79 1n6f n VAL 217 Ca 0.03 0.00 -0.04 0.00 -2.04 0.00 0.00 64.34 62.29 1n6f n VAL 217 Cb 0.52 -0.43 0.04 0.00 -1.47 0.00 0.00 33.84 32.51 1n6f n VAL 217 CO 0.00 0.00 0.00 -3.20 -2.14 0.00 0.00 176.83 171.49 1n6f n ASN 218 N -2.47 3.01 -0.67 -1.34 5.15 -1.23 -4.77 115.26 112.93 1n6f n ASN 218 Ca 0.00 -2.31 -0.09 0.00 -0.60 0.00 0.00 54.58 51.58 1n6f n ASN 218 Cb 0.00 -0.57 -0.04 0.00 -0.53 0.00 0.00 39.78 38.65 1n6f n ASN 218 CO 0.00 0.00 0.00 -1.20 1.40 0.00 0.00 177.26 177.46 1n6f n SER 219 N 0.16 -5.61 0.00 1.20 7.64 -1.26 -4.10 113.62 111.66 1n6f n SER 219 Ca 0.11 0.22 0.00 0.00 1.01 0.00 0.00 58.87 60.21 1n6f n SER 219 Cb 0.70 -3.88 0.00 0.00 -1.01 0.00 0.00 64.21 60.03 1n6f n SER 219 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1n6f n GLY 220 N 0.15 0.05 3.79 0.23 0.00 -1.26 -5.15 105.19 103.01 1n6f n GLY 220 Ca -0.09 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.65 1n6f n GLY 220 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1n6f s ALA 221 N 0.00 3.58 0.12 4.61 0.00 -1.26 -4.73 121.76 124.08 1n6f s ALA 221 Ca 0.00 -1.10 0.10 0.00 0.00 0.00 0.00 51.96 50.96 1n6f s ALA 221 Cb 0.00 -1.41 -0.04 0.00 0.00 0.00 0.00 23.12 21.67 1n6f s ALA 221 CO 0.00 0.64 -0.21 -0.06 0.00 0.00 0.00 175.76 176.13 1n6f s PHE 222 N -1.55 2.45 -0.03 0.00 0.40 -1.26 -1.13 117.98 116.87 1n6f s PHE 222 Ca 0.30 -0.31 0.02 0.00 -0.60 0.00 0.00 56.93 56.34 1n6f s PHE 222 Cb -0.11 -1.31 0.01 0.00 0.51 0.00 0.00 43.02 42.12 1n6f s PHE 222 CO 0.23 0.38 -0.06 0.21 0.70 0.00 0.00 175.22 176.67 1n6f s LYS 223 N -2.14 0.77 0.03 0.44 2.20 0.57 -4.93 119.74 116.69 1n6f s LYS 223 Ca 0.17 -0.19 -0.30 0.00 -0.36 0.00 0.00 55.97 55.28 1n6f s LYS 223 Cb -0.10 -0.75 -0.06 0.00 -1.51 0.00 0.00 37.83 35.40 1n6f s LYS 223 CO 0.09 0.04 1.41 0.21 -0.36 0.00 0.00 175.35 176.74 1n6f s LYS 224 N 0.40 4.29 0.00 4.03 2.20 -1.26 -1.15 119.74 128.25 1n6f s LYS 224 Ca -0.05 2.02 0.00 0.00 -0.36 0.00 0.00 55.97 57.57 1n6f s LYS 224 Cb -0.09 -3.50 0.00 0.00 -1.51 0.00 0.00 37.83 32.73 1n6f s LYS 224 CO 0.00 -0.55 0.00 0.44 -0.36 0.00 0.00 175.35 174.88 1n6f n ILE 225 N 4.49 0.00 -3.57 5.43 -5.35 0.07 -4.95 119.36 115.48 1n6f n ILE 225 Ca 0.13 -0.37 -0.27 0.00 -0.27 0.00 0.00 62.75 61.96 1n6f n ILE 225 Cb 0.43 0.88 -0.16 0.00 -1.74 0.00 0.00 39.64 39.06 1n6f n ILE 225 CO 0.00 0.00 0.00 -0.69 -1.76 0.00 0.00 176.55 174.10 1n6f s VAL 226 N -1.16 -0.09 -0.40 7.28 1.01 -0.74 -3.85 120.40 122.45 1n6f s VAL 226 Ca 0.00 -0.46 0.07 0.00 0.00 0.00 0.00 61.98 61.60 1n6f s VAL 226 Cb 0.00 -0.78 0.24 0.00 0.00 0.00 0.00 36.38 35.84 1n6f s VAL 226 CO 0.00 -0.50 0.49 -0.67 0.00 0.00 0.00 175.10 174.42 1n6f n ASP 227 N 5.27 0.10 -4.24 3.32 -0.08 -1.26 -1.75 116.55 117.90 1n6f n ASP 227 Ca -0.06 -2.65 -0.30 0.00 -1.51 0.00 0.00 54.79 50.27 1n6f n ASP 227 Cb 0.46 -0.63 0.18 0.00 2.34 0.00 0.00 41.12 43.47 1n6f n ASP 227 CO 0.00 0.00 0.00 -0.04 0.12 0.00 0.00 177.20 177.28 1n6f s MET 228 N -0.99 0.34 0.27 -0.67 -1.94 -1.26 -4.96 119.30 110.09 1n6f s MET 228 Ca 0.35 -0.13 0.10 0.00 -1.71 0.00 0.00 55.69 54.30 1n6f s MET 228 Cb 0.15 -1.78 0.34 0.00 2.01 0.00 0.00 34.83 35.55 1n6f s MET 228 CO -0.12 -2.66 1.61 0.66 -0.01 0.00 0.00 175.02 174.49 1n6f h SER 229 N -1.82 0.02 -0.75 3.03 4.64 -1.97 -3.45 113.55 113.24 1n6f h SER 229 Ca -0.46 -0.01 -0.52 0.00 -0.47 0.00 0.00 61.79 60.33 1n6f h SER 229 Cb 1.28 -0.01 -0.00 0.00 -0.31 0.00 0.00 62.40 63.36 1n6f h SER 229 CO 0.44 0.63 -0.18 0.42 -0.87 0.00 0.00 176.83 177.27 1n6f s THR 230 N -3.61 2.01 0.20 2.95 -4.23 -1.26 -4.42 115.64 107.28 1n6f s THR 230 Ca -0.01 -1.18 -0.30 0.00 -1.18 0.00 0.00 61.69 59.02 1n6f s THR 230 Cb 0.13 -2.19 -0.08 0.00 1.34 0.00 0.00 72.50 71.69 1n6f s THR 230 CO 0.77 0.00 1.22 -2.28 -0.54 0.00 0.00 174.62 173.79 1n6f s HIS 231 N -2.69 3.37 -0.12 3.99 2.46 -0.90 -4.71 115.29 116.69 1n6f s HIS 231 Ca 0.52 1.39 0.01 0.00 0.47 0.00 0.00 55.06 57.45 1n6f s HIS 231 Cb -0.05 -3.48 -0.01 0.00 -0.13 0.00 0.00 32.58 28.91 1n6f s HIS 231 CO 0.32 -1.36 -0.16 0.08 -2.47 0.00 0.00 174.74 171.15 1n6f s VAL 232 N -0.17 2.80 0.20 0.89 1.01 -1.24 -4.22 120.40 119.67 1n6f s VAL 232 Ca 0.53 -0.76 0.00 0.00 0.00 0.00 0.00 61.98 61.75 1n6f s VAL 232 Cb -0.34 -2.15 -0.04 0.00 0.00 0.00 0.00 36.38 33.85 1n6f s VAL 232 CO 0.38 0.54 0.08 -0.94 0.00 0.00 0.00 175.10 175.16 1n6f s SER 233 N 0.30 0.71 -1.25 3.32 1.04 -0.43 -3.91 113.70 113.48 1n6f s SER 233 Ca -0.12 -1.32 -0.29 0.00 0.48 0.00 0.00 55.95 54.70 1n6f s SER 233 Cb -0.16 0.25 0.03 0.00 0.10 0.00 0.00 66.02 66.24 1n6f s SER 233 CO 0.06 -0.74 0.62 -1.20 0.98 0.00 0.00 173.24 172.96 1n6f n SER 234 N -0.30 -3.64 -4.78 7.02 7.64 -0.63 -1.53 113.62 117.40 1n6f n SER 234 Ca -0.01 -1.26 -0.36 0.00 1.01 0.00 0.00 58.87 58.25 1n6f n SER 234 Cb 0.65 -1.91 -0.02 0.00 -1.01 0.00 0.00 64.21 61.93 1n6f n SER 234 CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 1n6f s PRO 235 N -7.24 3.80 0.14 1.43 0.04 -1.26 -4.34 135.00 127.57 1n6f s PRO 235 Ca 0.43 1.61 -0.14 0.00 0.04 0.00 0.00 61.00 62.93 1n6f s PRO 235 Cb -0.23 -2.32 0.02 0.00 0.04 0.00 0.00 34.50 32.02 1n6f s PRO 235 CO 0.96 -0.48 0.39 0.14 0.04 0.00 0.00 177.00 178.05 1n6f s VAL 236 N -1.69 0.07 -0.09 -0.36 -7.23 0.24 -4.93 120.40 106.41 1n6f s VAL 236 Ca 0.64 -0.82 0.03 0.00 -1.81 0.00 0.00 61.98 60.02 1n6f s VAL 236 Cb -0.24 -1.39 0.01 0.00 0.56 0.00 0.00 36.38 35.32 1n6f s VAL 236 CO 0.29 -0.31 -0.18 -0.63 -0.31 0.00 0.00 175.10 173.96 1n6f s ILE 237 N -3.85 1.61 -0.22 -0.62 1.01 -1.26 0.76 121.20 118.62 1n6f s ILE 237 Ca 0.07 -0.75 -0.00 0.00 0.00 0.00 0.00 60.65 59.96 1n6f s ILE 237 Cb 0.02 -1.42 0.06 0.00 0.01 0.00 0.00 42.46 41.13 1n6f s ILE 237 CO -0.08 0.46 -0.02 -0.69 0.00 0.00 0.00 174.94 174.61 1n6f s VAL 238 N 0.53 1.20 0.00 2.92 1.01 -0.44 -4.64 120.40 120.98 1n6f s VAL 238 Ca -0.16 -1.01 0.00 0.00 0.00 0.00 0.00 61.98 60.81 1n6f s VAL 238 Cb -0.17 -1.55 0.00 0.00 0.00 0.00 0.00 36.38 34.66 1n6f s VAL 238 CO 0.06 -0.14 0.00 0.61 0.00 0.00 0.00 175.10 175.63 1n6f n GLY 239 N 4.79 2.15 1.02 4.51 0.00 -1.26 -2.81 105.19 113.58 1n6f n GLY 239 Ca -0.11 -0.30 0.02 0.00 0.00 0.00 0.00 46.02 45.63 1n6f n GLY 239 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1n6f n HIS 240 N 7.04 0.33 -4.36 1.61 -0.00 -1.26 -5.03 115.22 113.56 1n6f n HIS 240 Ca 0.00 -1.39 -0.23 0.00 -0.00 0.00 0.00 57.72 56.11 1n6f n HIS 240 Cb 0.00 -0.24 -0.13 0.00 -0.00 0.00 0.00 29.99 29.62 1n6f n HIS 240 CO 0.00 0.00 0.00 1.03 -0.00 0.00 0.00 176.34 177.37 1n6f s ARG 241 N -2.61 1.10 -0.26 -0.41 0.52 -1.12 -3.47 118.95 112.70 1n6f s ARG 241 Ca 0.38 -1.01 -0.08 0.00 -0.52 0.00 0.00 55.73 54.50 1n6f s ARG 241 Cb 0.38 -1.25 -0.03 0.00 0.52 0.00 0.00 34.95 34.56 1n6f s ARG 241 CO -0.08 0.30 0.10 0.42 0.02 0.00 0.00 175.30 176.06 1n6f s ILE 242 N -1.04 4.59 -0.08 1.52 1.01 0.43 -1.32 121.20 126.30 1n6f s ILE 242 Ca 0.04 -0.08 -0.04 0.00 0.00 0.00 0.00 60.65 60.58 1n6f s ILE 242 Cb -0.09 -3.16 -0.04 0.00 0.01 0.00 0.00 42.46 39.18 1n6f s ILE 242 CO 0.03 0.32 0.10 -0.31 0.00 0.00 0.00 174.94 175.07 1n6f s TYR 243 N 1.64 3.43 0.37 3.97 1.51 0.23 -1.58 117.35 126.92 1n6f s TYR 243 Ca 0.06 0.37 -0.14 0.00 -1.01 0.00 0.00 57.07 56.36 1n6f s TYR 243 Cb -0.15 -1.86 0.04 0.00 -0.11 0.00 0.00 41.96 39.88 1n6f s TYR 243 CO 0.06 0.63 0.73 -0.59 -1.11 0.00 0.00 175.55 175.27 1n6f s PHE 244 N -1.05 0.26 0.10 2.71 -0.12 -0.41 -0.59 117.98 118.89 1n6f s PHE 244 Ca 0.17 -0.85 0.10 0.00 -0.05 0.00 0.00 56.93 56.29 1n6f s PHE 244 Cb -0.12 0.67 -0.04 0.00 -0.63 0.00 0.00 43.02 42.91 1n6f s PHE 244 CO 0.07 -1.48 -0.25 0.42 -0.05 0.00 0.00 175.22 173.92 1n6f s ILE 245 N -2.53 2.08 0.03 -4.49 1.01 -0.58 0.08 121.20 116.79 1n6f s ILE 245 Ca 0.18 -1.60 -0.28 0.00 0.00 0.00 0.00 60.65 58.95 1n6f s ILE 245 Cb -0.04 -1.83 0.10 0.00 0.01 0.00 0.00 42.46 40.69 1n6f s ILE 245 CO 0.13 0.13 0.83 0.28 0.00 0.00 0.00 174.94 176.30 1n6f s THR 246 N -1.01 0.00 -0.26 2.92 -1.32 -1.07 -1.31 115.64 113.60 1n6f s THR 246 Ca 0.12 0.00 0.09 0.00 -1.21 0.00 0.00 61.69 60.69 1n6f s THR 246 Cb -0.10 -1.00 0.45 0.00 -1.51 0.00 0.00 72.50 70.34 1n6f s THR 246 CO 0.05 0.00 1.28 -0.90 -2.21 0.00 0.00 174.62 172.83 1n6f n ASP 247 N -0.25 2.80 -0.26 8.08 3.85 -1.26 -2.23 116.55 127.28 1n6f n ASP 247 Ca -0.10 -3.85 0.33 0.00 -0.71 0.00 0.00 54.79 50.46 1n6f n ASP 247 Cb 0.62 -0.51 0.69 0.00 -1.35 0.00 0.00 41.12 40.57 1n6f n ASP 247 CO 0.00 0.00 0.00 -0.29 -1.01 0.00 0.00 177.20 175.90 1n6f h ILE 248 N 1.30 0.25 -0.33 2.12 6.09 -1.89 0.47 117.51 125.52 1n6f h ILE 248 Ca 0.15 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 63.64 1n6f h ILE 248 Cb 1.25 0.31 0.00 0.00 0.47 0.00 0.00 36.82 38.85 1n6f h ILE 248 CO 0.30 0.00 0.00 0.47 -3.07 0.00 0.00 178.15 175.85 1n6f n ASP 249 N -3.82 3.07 0.00 2.19 10.43 -1.26 -4.92 116.55 122.24 1n6f n ASP 249 Ca 0.24 -1.94 0.00 0.00 2.57 0.00 0.00 54.79 55.66 1n6f n ASP 249 Cb 1.29 -0.21 0.00 0.00 1.84 0.00 0.00 41.12 44.04 1n6f n ASP 249 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 1n6f n GLY 250 N 1.42 0.67 3.49 0.44 0.00 0.16 -5.08 105.19 106.31 1n6f n GLY 250 Ca 0.18 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.06 1n6f n GLY 250 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1n6f s PHE 251 N -2.00 -0.56 0.00 1.61 5.36 -1.23 -5.03 117.98 116.13 1n6f s PHE 251 Ca 0.00 0.75 -0.30 0.00 -0.96 0.00 0.00 56.93 56.42 1n6f s PHE 251 Cb 0.00 0.47 -0.06 0.00 -0.34 0.00 0.00 43.02 43.09 1n6f s PHE 251 CO 0.00 -0.65 1.54 0.20 -1.46 0.00 0.00 175.22 174.85 1n6f s GLY 252 N -1.78 1.67 0.15 13.12 0.00 -1.26 -4.05 107.32 115.17 1n6f s GLY 252 Ca -0.05 0.98 -0.02 0.00 0.00 0.00 0.00 44.72 45.63 1n6f s GLY 252 CO 0.00 2.77 0.11 1.20 0.00 0.00 0.00 173.10 177.18 1n6f s GLN 253 N 2.93 1.02 -0.16 2.90 -1.52 -0.95 -4.44 119.66 119.44 1n6f s GLN 253 Ca 0.69 -1.44 -0.14 0.00 -1.95 0.00 0.00 55.36 52.53 1n6f s GLN 253 Cb -0.34 0.27 -0.05 0.00 -0.22 0.00 0.00 33.01 32.67 1n6f s GLN 253 CO 0.29 -0.32 0.28 0.42 -0.25 0.00 0.00 175.29 175.71 1n6f s ILE 254 N -4.06 5.31 0.38 1.08 1.01 -1.26 -2.59 121.20 121.08 1n6f s ILE 254 Ca 0.26 0.53 0.01 0.00 0.00 0.00 0.00 60.65 61.45 1n6f s ILE 254 Cb 0.07 -3.62 -0.00 0.00 0.01 0.00 0.00 42.46 38.91 1n6f s ILE 254 CO 0.04 0.39 0.05 -1.22 0.00 0.00 0.00 174.94 174.20 1n6f n TYR 255 N 3.56 0.63 -3.59 3.97 4.02 0.11 -1.05 117.16 124.81 1n6f n TYR 255 Ca -0.12 -2.08 -0.07 0.00 -0.01 0.00 0.00 57.90 55.62 1n6f n TYR 255 Cb 0.52 -0.17 -0.02 0.00 -0.02 0.00 0.00 39.34 39.65 1n6f n TYR 255 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 176.86 174.31 1n6f s SER 256 N -3.19 -0.33 0.30 7.72 1.04 -0.92 -1.29 113.70 117.03 1n6f s SER 256 Ca 0.07 -0.17 -0.14 0.00 0.48 0.00 0.00 55.95 56.19 1n6f s SER 256 Cb 0.00 0.48 0.02 0.00 0.10 0.00 0.00 66.02 66.61 1n6f s SER 256 CO 0.05 -0.82 0.60 0.42 0.98 0.00 0.00 173.24 174.47 1n6f s THR 257 N -3.33 0.00 0.92 2.02 -4.23 -0.61 -1.94 115.64 108.46 1n6f s THR 257 Ca 0.07 -1.25 -0.13 0.00 -1.18 0.00 0.00 61.69 59.20 1n6f s THR 257 Cb -0.01 -2.36 0.21 0.00 1.34 0.00 0.00 72.50 71.67 1n6f s THR 257 CO -0.05 0.00 1.25 -0.90 -0.54 0.00 0.00 174.62 174.38 1n6f n ASP 258 N -0.78 0.39 -0.52 3.99 5.68 -0.41 -0.42 116.55 124.47 1n6f n ASP 258 Ca -0.03 -1.63 0.00 0.00 -0.50 0.00 0.00 54.79 52.63 1n6f n ASP 258 Cb 0.61 -0.93 0.00 0.00 -1.14 0.00 0.00 41.12 39.66 1n6f n ASP 258 CO 0.00 0.00 0.00 0.18 -1.33 0.00 0.00 177.20 176.05 1n6f n LEU 259 N 0.00 0.45 0.00 -2.12 4.77 -1.23 -1.08 117.00 117.80 1n6f n LEU 259 Ca 0.17 -0.22 0.00 0.00 -0.03 0.00 0.00 56.01 55.92 1n6f n LEU 259 Cb 0.58 -0.20 0.00 0.00 -2.33 0.00 0.00 43.42 41.46 1n6f n LEU 259 CO 0.41 0.11 0.24 0.47 -1.33 0.00 0.00 177.39 177.29 1n6f n ASP 260 N 0.32 0.71 -0.70 -1.43 8.00 -1.26 -4.98 116.55 117.21 1n6f n ASP 260 Ca 0.00 -1.24 -0.09 0.00 0.71 0.00 0.00 54.79 54.17 1n6f n ASP 260 Cb 0.11 0.00 -0.04 0.00 -0.02 0.00 0.00 41.12 41.17 1n6f n ASP 260 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1n6f n GLY 261 N -0.12 1.05 3.87 0.44 0.00 -0.24 -4.86 105.19 105.34 1n6f n GLY 261 Ca 0.00 -0.40 -0.21 0.00 0.00 0.00 0.00 46.02 45.41 1n6f n GLY 261 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1n6f s LYS 262 N -2.59 2.63 -0.99 1.61 -0.14 -1.26 -4.73 119.74 114.27 1n6f s LYS 262 Ca 0.00 -1.42 -0.01 0.00 -1.36 0.00 0.00 55.97 53.18 1n6f s LYS 262 Cb 0.00 -2.44 -0.01 0.00 -1.68 0.00 0.00 37.83 33.70 1n6f s LYS 262 CO 0.00 -0.08 0.83 -3.47 -0.76 0.00 0.00 175.35 171.87 1n6f n ASP 263 N -1.49 -2.54 -4.72 2.83 4.64 -1.26 -1.29 116.55 112.72 1n6f n ASP 263 Ca 0.02 -0.53 -0.43 0.00 -1.38 0.00 0.00 54.79 52.47 1n6f n ASP 263 Cb 0.61 -4.39 -0.03 0.00 -1.04 0.00 0.00 41.12 36.27 1n6f n ASP 263 CO 0.00 0.00 0.00 -0.11 -0.82 0.00 0.00 177.20 176.27 1n6f n LEU 264 N -3.54 3.92 -4.02 -2.67 7.94 -1.26 -4.51 117.00 112.86 1n6f n LEU 264 Ca -0.22 1.09 -0.16 0.00 -1.11 0.00 0.00 56.01 55.61 1n6f n LEU 264 Cb 0.64 -1.55 -0.14 0.00 0.53 0.00 0.00 43.42 42.90 1n6f n LEU 264 CO 0.51 0.08 -0.42 -0.13 -1.11 0.00 0.00 177.39 176.32 1n6f s ARG 265 N 0.62 0.58 -0.26 1.96 0.52 -0.82 -5.01 118.95 116.55 1n6f s ARG 265 Ca 0.72 -0.41 -0.07 0.00 -0.52 0.00 0.00 55.73 55.45 1n6f s ARG 265 Cb -0.53 -0.52 -0.02 0.00 0.52 0.00 0.00 34.95 34.40 1n6f s ARG 265 CO 0.38 0.13 0.07 0.21 0.02 0.00 0.00 175.30 176.12 1n6f s LYS 266 N -0.59 3.58 -0.03 3.54 2.20 -1.26 -2.17 119.74 125.02 1n6f s LYS 266 Ca -0.00 -0.53 0.20 0.00 -0.36 0.00 0.00 55.97 55.28 1n6f s LYS 266 Cb -0.05 -3.33 -0.30 0.00 -1.51 0.00 0.00 37.83 32.63 1n6f s LYS 266 CO 0.00 -0.22 0.43 0.72 -0.36 0.00 0.00 175.35 175.92 1n6f n HIS 267 N 4.92 0.00 -4.50 4.03 8.25 -0.22 -5.02 115.22 122.69 1n6f n HIS 267 Ca -0.16 0.00 -0.24 0.00 -0.26 0.00 0.00 57.72 57.06 1n6f n HIS 267 Cb 0.51 -0.45 -0.11 0.00 1.12 0.00 0.00 29.99 31.06 1n6f n HIS 267 CO 0.00 0.00 0.00 0.95 0.64 0.00 0.00 176.34 177.93 1n6f s THR 268 N -3.36 1.84 -0.28 1.59 -4.23 -1.23 -4.95 115.64 105.02 1n6f s THR 268 Ca -0.07 -2.12 0.21 0.00 -1.18 0.00 0.00 61.69 58.53 1n6f s THR 268 Cb 0.13 -2.63 0.49 0.00 1.34 0.00 0.00 72.50 71.82 1n6f s THR 268 CO 0.82 -0.19 1.12 -1.20 -0.54 0.00 0.00 174.62 174.63 1n6f n SER 269 N -0.72 1.21 -4.60 3.99 7.64 -1.26 -4.69 113.62 115.19 1n6f n SER 269 Ca -0.05 -2.18 -0.33 0.00 1.01 0.00 0.00 58.87 57.32 1n6f n SER 269 Cb 0.64 -0.36 0.14 0.00 -1.01 0.00 0.00 64.21 63.62 1n6f n SER 269 CO 0.00 0.00 0.00 0.49 -3.01 0.00 0.00 175.04 172.52 1n6f n PHE 270 N -0.57 0.35 0.00 1.43 0.99 -1.26 -4.96 117.46 113.43 1n6f n PHE 270 Ca 0.05 0.36 0.00 0.00 -0.00 0.00 0.00 57.45 57.86 1n6f n PHE 270 Cb 0.81 -1.98 0.00 0.00 -1.00 0.00 0.00 39.48 37.31 1n6f n PHE 270 CO 0.00 0.00 0.00 0.25 -0.00 0.00 0.00 176.76 177.01 1n6f n THR 271 N -3.61 0.00 0.04 4.37 -2.24 -1.26 -4.91 114.28 106.67 1n6f n THR 271 Ca 0.11 0.00 -0.09 0.00 -2.27 0.00 0.00 64.05 61.80 1n6f n THR 271 Cb 0.52 0.00 -0.07 0.00 -2.10 0.00 0.00 70.33 68.68 1n6f n THR 271 CO 0.00 0.00 0.00 -2.24 -0.57 0.00 0.00 175.07 172.26 1n6f h ASP 272 N 0.00 -0.17 -5.09 3.42 -0.00 -1.99 -3.48 116.42 109.10 1n6f h ASP 272 Ca 0.00 -0.32 -0.09 0.00 -0.00 0.00 0.00 57.03 56.62 1n6f h ASP 272 Cb 0.00 0.04 -0.15 0.00 -0.00 0.00 0.00 39.33 39.22 1n6f h ASP 272 CO 0.00 0.41 -0.27 -0.31 -0.00 0.00 0.00 179.24 179.07 1n6f s TYR 273 N -2.99 -0.03 0.19 4.15 1.51 -1.26 -5.02 117.35 113.90 1n6f s TYR 273 Ca -0.11 -0.24 -0.30 0.00 -1.01 0.00 0.00 57.07 55.41 1n6f s TYR 273 Cb 0.00 0.06 -0.09 0.00 -0.11 0.00 0.00 41.96 41.83 1n6f s TYR 273 CO 0.40 -0.54 1.29 0.71 -1.11 0.00 0.00 175.55 176.30 1n6f s TYR 274 N -3.16 3.28 0.46 2.71 1.51 -1.26 -4.81 117.35 116.08 1n6f s TYR 274 Ca -0.01 1.25 -0.21 0.00 -1.01 0.00 0.00 57.07 57.09 1n6f s TYR 274 Cb 0.01 -3.58 -0.10 0.00 -0.11 0.00 0.00 41.96 38.19 1n6f s TYR 274 CO -0.07 -1.79 0.99 -1.25 -1.11 0.00 0.00 175.55 172.32 1n6f s PRO 275 N -0.11 4.02 0.31 -1.71 0.04 -1.26 -4.53 135.00 131.77 1n6f s PRO 275 Ca 0.56 1.24 0.02 0.00 0.04 0.00 0.00 61.00 62.86 1n6f s PRO 275 Cb -0.36 -2.14 -0.02 0.00 0.04 0.00 0.00 34.50 32.02 1n6f s PRO 275 CO 0.38 -0.23 0.34 1.03 0.04 0.00 0.00 177.00 178.56 1n6f s ARG 276 N -3.22 1.73 -1.26 4.56 1.81 0.01 -4.95 118.95 117.64 1n6f s ARG 276 Ca 0.65 -1.84 -0.14 0.00 -1.72 0.00 0.00 55.73 52.67 1n6f s ARG 276 Cb -0.13 0.37 0.00 0.00 -0.45 0.00 0.00 34.95 34.74 1n6f s ARG 276 CO 0.17 -0.67 0.61 1.58 -0.68 0.00 0.00 175.30 176.31 1n6f n HIS 277 N -0.55 -1.73 -1.94 -0.53 -0.00 -1.26 -2.14 115.22 107.07 1n6f n HIS 277 Ca 0.04 0.53 -0.40 0.00 0.46 0.00 0.00 57.72 58.35 1n6f n HIS 277 Cb 0.62 -3.48 -0.00 0.00 -0.12 0.00 0.00 29.99 27.02 1n6f n HIS 277 CO 0.00 0.00 0.00 -0.51 0.46 0.00 0.00 176.34 176.29 1n6f s LEU 278 N -6.81 4.24 0.12 0.27 1.43 -1.26 -4.50 118.68 112.17 1n6f s LEU 278 Ca 0.28 2.81 -0.19 0.00 -1.03 0.00 0.00 54.13 56.00 1n6f s LEU 278 Cb -0.11 -3.82 0.05 0.00 0.03 0.00 0.00 46.19 42.33 1n6f s LEU 278 CO 0.89 -0.89 0.47 0.20 0.23 0.00 0.00 176.35 177.25 1n6f s ASN 279 N -0.52 -0.36 0.36 2.29 0.02 -0.74 -4.81 114.94 111.20 1n6f s ASN 279 Ca 0.56 -0.14 -0.12 0.00 -1.02 0.00 0.00 52.86 52.14 1n6f s ASN 279 Cb -0.42 0.51 0.04 0.00 0.02 0.00 0.00 41.25 41.40 1n6f s ASN 279 CO 0.54 -0.85 0.68 0.28 0.02 0.00 0.00 177.10 177.77 1n6f s THR 280 N -3.50 0.00 0.00 1.60 -1.32 -1.26 0.74 115.64 111.90 1n6f s THR 280 Ca 0.01 -1.20 0.00 0.00 -1.21 0.00 0.00 61.69 59.29 1n6f s THR 280 Cb 0.01 -2.74 0.00 0.00 -1.51 0.00 0.00 72.50 68.26 1n6f s THR 280 CO -0.10 0.00 0.49 -0.90 -2.21 0.00 0.00 174.62 171.90 1n6f n ASP 281 N -1.33 0.88 0.00 8.08 3.85 -1.22 -4.66 116.55 122.15 1n6f n ASP 281 Ca -0.05 -1.21 0.00 0.00 -0.71 0.00 0.00 54.79 52.82 1n6f n ASP 281 Cb 0.60 0.00 0.00 0.00 -1.35 0.00 0.00 41.12 40.37 1n6f n ASP 281 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1n6f n GLY 282 N -0.11 2.51 0.78 6.12 0.00 -1.26 -4.89 105.19 108.34 1n6f n GLY 282 Ca 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.96 1n6f n GLY 282 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1n6f n ARG 283 N -1.11 0.15 -4.32 1.61 1.74 -1.26 -4.42 116.66 109.03 1n6f n ARG 283 Ca 0.00 0.06 -0.25 0.00 -0.77 0.00 0.00 57.85 56.90 1n6f n ARG 283 Cb 0.00 -0.75 -0.12 0.00 -1.02 0.00 0.00 32.46 30.57 1n6f n ARG 283 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 1n6f s ARG 284 N -2.17 1.23 -0.11 5.56 0.52 -1.26 -4.43 118.95 118.29 1n6f s ARG 284 Ca -0.09 -1.27 -0.06 0.00 -0.52 0.00 0.00 55.73 53.78 1n6f s ARG 284 Cb 0.03 -1.51 -0.04 0.00 0.52 0.00 0.00 34.95 33.95 1n6f s ARG 284 CO 0.12 0.34 0.14 0.42 0.02 0.00 0.00 175.30 176.34 1n6f s ILE 285 N -1.35 5.46 0.10 1.52 1.01 0.29 -3.41 121.20 124.82 1n6f s ILE 285 Ca 0.11 0.15 0.10 0.00 0.00 0.00 0.00 60.65 61.01 1n6f s ILE 285 Cb -0.09 -3.39 -0.04 0.00 0.01 0.00 0.00 42.46 38.95 1n6f s ILE 285 CO 0.05 0.59 -0.25 -0.22 0.00 0.00 0.00 174.94 175.11 1n6f s LEU 286 N -1.13 2.27 0.18 2.97 2.96 0.23 -0.21 118.68 125.96 1n6f s LEU 286 Ca 0.16 -0.69 -0.24 0.00 -0.22 0.00 0.00 54.13 53.15 1n6f s LEU 286 Cb -0.12 -1.14 0.06 0.00 0.50 0.00 0.00 46.19 45.49 1n6f s LEU 286 CO 0.06 0.17 0.92 0.72 -1.32 0.00 0.00 176.35 176.89 1n6f s PHE 287 N -1.01 -0.13 0.25 5.38 -0.12 -0.90 -1.79 117.98 119.66 1n6f s PHE 287 Ca 0.11 -0.21 0.11 0.00 -0.05 0.00 0.00 56.93 56.89 1n6f s PHE 287 Cb -0.10 0.66 -0.05 0.00 -0.63 0.00 0.00 43.02 42.90 1n6f s PHE 287 CO 0.04 -0.92 -0.18 -1.54 -0.05 0.00 0.00 175.22 172.58 1n6f s SER 288 N -2.95 3.25 -0.29 1.98 1.04 -0.91 -0.73 113.70 115.10 1n6f s SER 288 Ca 0.12 -1.02 -0.16 0.00 0.48 0.00 0.00 55.95 55.38 1n6f s SER 288 Cb -0.02 -0.25 0.12 0.00 0.10 0.00 0.00 66.02 65.97 1n6f s SER 288 CO 0.03 -0.02 0.83 -0.75 0.98 0.00 0.00 173.24 174.31 1n6f s LYS 289 N -3.51 0.53 -1.34 4.02 2.20 0.22 -0.81 119.74 121.05 1n6f s LYS 289 Ca 0.27 0.96 0.00 0.00 -0.36 0.00 0.00 55.97 56.84 1n6f s LYS 289 Cb -0.04 0.17 0.00 0.00 -1.51 0.00 0.00 37.83 36.45 1n6f s LYS 289 CO 0.12 -0.12 0.00 0.41 -0.36 0.00 0.00 175.35 175.40 1n6f n GLY 290 N 4.13 0.08 1.21 5.54 0.00 -1.26 -1.20 105.19 113.70 1n6f n GLY 290 Ca -0.18 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.84 1n6f n GLY 290 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1n6f n GLY 291 N -0.68 0.73 3.35 -0.02 0.00 -1.26 -4.95 105.19 102.36 1n6f n GLY 291 Ca -0.16 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.65 1n6f n GLY 291 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1n6f s SER 292 N -2.15 2.74 -0.13 1.61 0.01 -0.34 -0.76 113.70 114.69 1n6f s SER 292 Ca 0.00 -0.95 -0.05 0.00 1.31 0.00 0.00 55.95 56.26 1n6f s SER 292 Cb 0.00 -0.17 -0.04 0.00 0.21 0.00 0.00 66.02 66.03 1n6f s SER 292 CO 0.00 -0.08 0.04 -0.63 0.41 0.00 0.00 173.24 172.98 1n6f s ILE 293 N -2.49 4.64 0.28 1.44 1.01 -1.26 -0.61 121.20 124.21 1n6f s ILE 293 Ca 0.20 -0.11 0.09 0.00 0.00 0.00 0.00 60.65 60.84 1n6f s ILE 293 Cb -0.04 -3.02 -0.05 0.00 0.01 0.00 0.00 42.46 39.36 1n6f s ILE 293 CO 0.08 0.55 -0.13 -0.31 0.00 0.00 0.00 174.94 175.12 1n6f s TYR 294 N -0.39 2.11 -0.01 3.97 1.51 0.09 -1.00 117.35 123.64 1n6f s TYR 294 Ca 0.09 -0.50 0.06 0.00 -1.01 0.00 0.00 57.07 55.70 1n6f s TYR 294 Cb -0.12 -1.06 -0.02 0.00 -0.11 0.00 0.00 41.96 40.65 1n6f s TYR 294 CO 0.02 0.51 -0.20 0.42 -1.11 0.00 0.00 175.55 175.19 1n6f s ILE 295 N -2.75 1.56 -0.13 2.71 1.01 0.63 -2.11 121.20 122.12 1n6f s ILE 295 Ca 0.29 -0.86 0.02 0.00 0.00 0.00 0.00 60.65 60.09 1n6f s ILE 295 Cb -0.00 -1.30 0.01 0.00 0.01 0.00 0.00 42.46 41.18 1n6f s ILE 295 CO 0.13 0.42 -0.18 0.12 0.00 0.00 0.00 174.94 175.43 1n6f s PHE 296 N -0.48 2.33 -0.37 3.97 5.36 0.71 -1.66 117.98 127.84 1n6f s PHE 296 Ca 0.08 -1.20 -0.10 0.00 -0.96 0.00 0.00 56.93 54.74 1n6f s PHE 296 Cb -0.08 -1.64 0.03 0.00 -0.34 0.00 0.00 43.02 40.99 1n6f s PHE 296 CO -0.01 -0.59 0.19 1.21 -1.46 0.00 0.00 175.22 174.56 1n6f s ASN 297 N 1.05 5.66 0.33 6.13 3.04 -0.97 -0.54 114.94 129.65 1n6f s ASN 297 Ca -0.03 -0.99 0.06 0.00 0.04 0.00 0.00 52.86 51.94 1n6f s ASN 297 Cb -0.15 -2.00 0.72 0.00 -1.54 0.00 0.00 41.25 38.28 1n6f s ASN 297 CO -0.05 -0.37 1.88 -0.65 -3.04 0.00 0.00 177.10 174.87 1n6f h PRO 298 N 8.40 0.78 -0.24 0.43 0.11 -1.90 1.63 132.00 141.21 1n6f h PRO 298 Ca -0.26 -0.05 -0.16 0.00 0.11 0.00 0.00 66.00 65.65 1n6f h PRO 298 Cb 1.10 -0.18 -0.01 0.00 0.11 0.00 0.00 31.00 32.03 1n6f h PRO 298 CO 0.66 0.52 -0.50 -0.44 -0.21 0.00 0.00 178.00 178.02 1n6f h ASP 299 N 0.81 0.73 0.53 -2.05 3.45 -1.93 -3.25 116.42 114.70 1n6f h ASP 299 Ca 0.44 -0.37 -0.15 0.00 0.43 0.00 0.00 57.03 57.38 1n6f h ASP 299 Cb 0.56 -0.21 -0.03 0.00 -0.56 0.00 0.00 39.33 39.10 1n6f h ASP 299 CO -0.20 1.10 -1.60 0.41 -1.57 0.00 0.00 179.24 177.38 1n6f n THR 300 N -3.99 0.97 -1.42 0.35 -1.04 -0.92 -4.95 114.28 103.27 1n6f n THR 300 Ca -0.03 -0.67 -0.14 0.00 -2.04 0.00 0.00 64.05 61.17 1n6f n THR 300 Cb 0.59 -0.54 -0.06 0.00 -1.82 0.00 0.00 70.33 68.49 1n6f n THR 300 CO 0.00 0.00 0.00 1.21 -0.64 0.00 0.00 175.07 175.64 1n6f n GLU 301 N -2.75 -1.14 -4.02 -2.82 2.13 0.55 -4.98 120.64 107.61 1n6f n GLU 301 Ca -0.11 1.00 -0.36 0.00 0.66 0.00 0.00 57.16 58.35 1n6f n GLU 301 Cb 0.81 -5.17 -0.07 0.00 0.27 0.00 0.00 31.44 27.28 1n6f n GLU 301 CO 0.00 0.00 0.00 0.21 -0.41 0.00 0.00 177.13 176.93 1n6f s LYS 302 N -3.18 3.29 -0.08 5.31 2.20 -1.21 -4.91 119.74 121.16 1n6f s LYS 302 Ca 0.00 -0.25 0.04 0.00 -0.36 0.00 0.00 55.97 55.40 1n6f s LYS 302 Cb 0.00 -3.05 -0.01 0.00 -1.51 0.00 0.00 37.83 33.25 1n6f s LYS 302 CO 0.00 0.74 -0.20 0.42 -0.36 0.00 0.00 175.35 175.95 1n6f s ILE 303 N -1.04 2.45 0.04 5.43 1.01 -1.26 -2.28 121.20 125.55 1n6f s ILE 303 Ca 0.17 -0.91 0.03 0.00 0.00 0.00 0.00 60.65 59.93 1n6f s ILE 303 Cb -0.12 -1.94 -0.02 0.00 0.01 0.00 0.00 42.46 40.38 1n6f s ILE 303 CO 0.06 0.56 -0.09 -1.83 0.00 0.00 0.00 174.94 173.64 1n6f s GLU 304 N -0.04 0.60 -0.09 2.79 -1.05 -0.66 -4.96 118.70 115.28 1n6f s GLU 304 Ca -0.06 -0.75 -0.21 0.00 -0.15 0.00 0.00 54.97 53.80 1n6f s GLU 304 Cb -0.15 -0.45 -0.04 0.00 -0.44 0.00 0.00 34.13 33.06 1n6f s GLU 304 CO 0.05 0.09 0.60 0.21 0.95 0.00 0.00 175.26 177.16 1n6f s LYS 305 N -1.46 4.39 0.12 -4.83 2.20 -1.26 -0.27 119.74 118.62 1n6f s LYS 305 Ca -0.07 0.68 -0.28 0.00 -0.36 0.00 0.00 55.97 55.95 1n6f s LYS 305 Cb -0.09 -3.44 -0.06 0.00 -1.51 0.00 0.00 37.83 32.72 1n6f s LYS 305 CO 0.01 0.11 0.88 0.42 -0.36 0.00 0.00 175.35 176.41 1n6f s ILE 306 N 0.70 4.49 -0.40 5.43 1.01 -0.17 -4.98 121.20 127.29 1n6f s ILE 306 Ca 0.32 1.90 -0.21 0.00 0.00 0.00 0.00 60.65 62.66 1n6f s ILE 306 Cb -0.17 -4.24 0.01 0.00 0.01 0.00 0.00 42.46 38.08 1n6f s ILE 306 CO 0.15 0.38 0.65 -1.61 0.00 0.00 0.00 174.94 174.51 1n6f s GLU 307 N -0.32 3.49 -0.05 2.79 0.41 -1.26 -4.66 118.70 119.10 1n6f s GLU 307 Ca 0.42 -0.13 0.02 0.00 -0.41 0.00 0.00 54.97 54.87 1n6f s GLU 307 Cb -0.23 -3.88 -0.04 0.00 -1.78 0.00 0.00 34.13 28.20 1n6f s GLU 307 CO 0.28 -0.88 -0.02 -0.89 -0.49 0.00 0.00 175.26 173.26 1n6f n ILE 308 N 5.74 0.29 -4.45 -1.63 5.41 -1.26 -5.04 119.36 118.42 1n6f n ILE 308 Ca -0.01 -0.14 0.00 0.00 1.00 0.00 0.00 62.75 63.60 1n6f n ILE 308 Cb 0.48 -0.79 -0.00 0.00 -0.71 0.00 0.00 39.64 38.62 1n6f n ILE 308 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1n6f n GLY 309 N 3.00 -1.44 3.72 7.39 0.00 -1.26 -4.81 105.19 111.79 1n6f n GLY 309 Ca -0.08 -1.18 -0.43 0.00 0.00 0.00 0.00 46.02 44.34 1n6f n GLY 309 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1n6f n ASP 310 N -1.37 3.44 0.00 1.61 10.43 -1.26 -4.64 116.55 124.76 1n6f n ASP 310 Ca 0.00 1.16 0.00 0.00 2.57 0.00 0.00 54.79 58.52 1n6f n ASP 310 Cb 0.01 -1.54 0.00 0.00 1.84 0.00 0.00 41.12 41.44 1n6f n ASP 310 CO 0.00 0.00 0.00 0.18 -1.07 0.00 0.00 177.20 176.31 1n6f n LEU 311 N 1.92 2.34 -3.64 0.64 4.32 -1.26 -5.03 117.00 116.30 1n6f n LEU 311 Ca 0.09 0.00 -0.10 0.00 -0.02 0.00 0.00 56.01 55.97 1n6f n LEU 311 Cb 0.35 0.00 -0.07 0.00 -1.62 0.00 0.00 43.42 42.08 1n6f n LEU 311 CO 0.63 0.39 0.46 -0.70 -1.22 0.00 0.00 177.39 176.96 1n6f s GLU 312 N -1.82 0.72 -0.37 3.23 2.12 -1.26 -5.10 118.70 116.23 1n6f s GLU 312 Ca 0.00 0.99 0.01 0.00 0.36 0.00 0.00 54.97 56.33 1n6f s GLU 312 Cb 0.00 0.28 0.15 0.00 0.26 0.00 0.00 34.13 34.82 1n6f s GLU 312 CO 0.00 -0.11 0.27 0.45 -0.54 0.00 0.00 175.26 175.34 1n6f s SER 313 N 0.79 2.27 1.01 -1.70 0.15 -1.26 -4.88 113.70 110.08 1n6f s SER 313 Ca -0.03 -2.17 -0.12 0.00 0.70 0.00 0.00 55.95 54.32 1n6f s SER 313 Cb -0.05 -0.15 0.20 0.00 -1.71 0.00 0.00 66.02 64.31 1n6f s SER 313 CO -0.07 -0.27 1.08 -2.16 1.20 0.00 0.00 173.24 173.01 1n6f s PRO 314 N 1.00 0.32 0.00 5.44 0.04 -1.26 -4.91 135.00 135.63 1n6f s PRO 314 Ca 0.20 0.69 -0.36 0.00 0.04 0.00 0.00 61.00 61.57 1n6f s PRO 314 Cb -0.17 -1.71 -0.15 0.00 0.04 0.00 0.00 34.50 32.51 1n6f s PRO 314 CO -0.03 -2.85 1.59 -1.91 0.04 0.00 0.00 177.00 173.84 1n6f n GLU 315 N -4.28 1.63 0.09 4.56 4.07 -1.26 -4.91 120.64 120.53 1n6f n GLU 315 Ca 0.05 0.59 -0.22 0.00 -0.06 0.00 0.00 57.16 57.52 1n6f n GLU 315 Cb 0.56 -2.32 -0.14 0.00 -0.06 0.00 0.00 31.44 29.48 1n6f n GLU 315 CO 0.00 0.00 0.00 0.22 -0.06 0.00 0.00 177.13 177.29 1n6f h ASP 316 N 6.35 0.75 -3.19 4.31 1.82 -1.96 -3.44 116.42 121.06 1n6f h ASP 316 Ca -0.47 -0.88 -0.57 0.00 -0.39 0.00 0.00 57.03 54.73 1n6f h ASP 316 Cb 1.30 -0.24 -0.05 0.00 0.68 0.00 0.00 39.33 41.02 1n6f h ASP 316 CO 0.88 1.56 1.00 -0.60 -1.61 0.00 0.00 179.24 180.47 1n6f s ARG 317 N -2.76 3.80 0.17 0.28 3.52 -1.26 -1.58 118.95 121.13 1n6f s ARG 317 Ca -0.11 1.15 0.09 0.00 -0.13 0.00 0.00 55.73 56.73 1n6f s ARG 317 Cb 0.04 -3.93 -0.04 0.00 -1.56 0.00 0.00 34.95 29.46 1n6f s ARG 317 CO 0.90 -1.27 -0.13 0.96 -0.81 0.00 0.00 175.30 174.95 1n6f s ILE 318 N 4.72 3.01 -0.13 4.11 -4.36 0.98 -4.96 121.20 124.57 1n6f s ILE 318 Ca 0.58 -1.66 -0.06 0.00 -0.26 0.00 0.00 60.65 59.25 1n6f s ILE 318 Cb -0.16 -2.46 -0.04 0.00 1.25 0.00 0.00 42.46 41.06 1n6f s ILE 318 CO 0.26 -0.06 0.08 -0.63 0.24 0.00 0.00 174.94 174.84 1n6f s ILE 319 N -1.56 4.97 0.07 8.37 -1.09 -1.26 -1.48 121.20 129.22 1n6f s ILE 319 Ca 0.23 0.01 0.00 0.00 -2.23 0.00 0.00 60.65 58.66 1n6f s ILE 319 Cb -0.09 -3.17 -0.04 0.00 -1.58 0.00 0.00 42.46 37.58 1n6f s ILE 319 CO 0.13 0.57 -0.05 -0.44 -1.23 0.00 0.00 174.94 173.92 1n6f s SER 320 N -0.57 0.75 -0.49 3.58 0.01 0.75 -4.93 113.70 112.81 1n6f s SER 320 Ca 0.11 -0.97 -0.22 0.00 1.31 0.00 0.00 55.95 56.18 1n6f s SER 320 Cb -0.12 0.15 0.04 0.00 0.21 0.00 0.00 66.02 66.30 1n6f s SER 320 CO 0.02 -0.52 0.77 -0.63 0.41 0.00 0.00 173.24 173.29 1n6f s ILE 321 N -3.62 4.65 0.34 1.44 1.01 -1.26 -0.05 121.20 123.70 1n6f s ILE 321 Ca 0.08 0.10 0.15 0.00 0.00 0.00 0.00 60.65 60.98 1n6f s ILE 321 Cb 0.06 -4.37 0.33 0.00 0.01 0.00 0.00 42.46 38.49 1n6f s ILE 321 CO -0.07 -0.84 1.65 1.55 0.00 0.00 0.00 174.94 177.22 1n6f h PRO 322 N 9.07 0.27 -0.75 2.79 0.13 -1.84 -1.33 132.00 140.35 1n6f h PRO 322 Ca -0.26 -0.02 -0.00 0.00 -0.87 0.00 0.00 66.00 64.85 1n6f h PRO 322 Cb 1.09 -0.06 -0.04 0.00 0.13 0.00 0.00 31.00 32.12 1n6f h PRO 322 CO 0.99 0.18 0.46 0.66 -0.23 0.00 0.00 178.00 180.06 1n6f h SER 323 N 0.28 0.90 -0.97 1.44 4.64 -1.92 -0.91 113.55 117.01 1n6f h SER 323 Ca 0.74 -0.06 0.22 0.00 -0.47 0.00 0.00 61.79 62.22 1n6f h SER 323 Cb 1.71 -0.23 -0.08 0.00 -0.31 0.00 0.00 62.40 63.49 1n6f h SER 323 CO -0.63 0.70 0.62 0.11 -0.87 0.00 0.00 176.83 176.76 1n6f h LYS 324 N 1.03 0.48 -0.07 4.77 1.79 -1.66 -2.43 116.57 120.47 1n6f h LYS 324 Ca 0.27 -0.03 0.00 0.00 -2.18 0.00 0.00 60.65 58.71 1n6f h LYS 324 Cb -0.04 -0.11 0.00 0.00 -1.58 0.00 0.00 32.23 30.50 1n6f h LYS 324 CO -0.05 0.32 0.00 1.19 -1.08 0.00 0.00 179.45 179.83 1n6f n PHE 325 N -4.60 0.17 -1.98 -1.35 3.01 -1.02 -5.00 117.46 106.69 1n6f n PHE 325 Ca 0.22 -0.73 -0.33 0.00 1.01 0.00 0.00 57.45 57.62 1n6f n PHE 325 Cb 0.72 -0.12 0.02 0.00 -0.01 0.00 0.00 39.48 40.09 1n6f n PHE 325 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1n6f s ALA 326 N -1.92 2.68 -0.03 4.37 0.00 -0.38 -3.00 121.76 123.48 1n6f s ALA 326 Ca 0.20 0.43 -0.31 0.00 0.00 0.00 0.00 51.96 52.28 1n6f s ALA 326 Cb 0.16 -3.25 0.11 0.00 0.00 0.00 0.00 23.12 20.14 1n6f s ALA 326 CO 0.04 -0.92 1.18 -1.83 0.00 0.00 0.00 175.76 174.24 1n6f s GLU 327 N -4.08 0.53 -1.30 0.00 -1.05 0.18 -4.95 118.70 108.04 1n6f s GLU 327 Ca 0.64 -0.27 -0.04 0.00 -0.15 0.00 0.00 54.97 55.15 1n6f s GLU 327 Cb -0.17 0.20 0.00 0.00 -0.44 0.00 0.00 34.13 33.72 1n6f s GLU 327 CO 0.38 -0.24 0.55 -3.47 0.95 0.00 0.00 175.26 173.43 1n6f n ASP 328 N -0.36 -5.45 -4.72 0.83 4.64 -1.26 -0.47 116.55 109.76 1n6f n ASP 328 Ca -0.06 -0.26 -0.42 0.00 -1.38 0.00 0.00 54.79 52.68 1n6f n ASP 328 Cb 0.61 -4.27 -0.03 0.00 -1.04 0.00 0.00 41.12 36.39 1n6f n ASP 328 CO 0.00 0.00 0.00 0.72 -0.82 0.00 0.00 177.20 177.10 1n6f s PHE 329 N -3.09 2.93 -0.06 -0.67 -0.12 -1.26 -4.31 117.98 111.40 1n6f s PHE 329 Ca 0.27 0.45 -0.09 0.00 -0.05 0.00 0.00 56.93 57.51 1n6f s PHE 329 Cb -0.12 -4.08 0.02 0.00 -0.63 0.00 0.00 43.02 38.20 1n6f s PHE 329 CO 0.34 -4.04 0.22 0.45 -0.05 0.00 0.00 175.22 172.14 1n6f s SER 330 N 1.10 -0.17 0.02 1.98 0.15 0.44 -4.99 113.70 112.24 1n6f s SER 330 Ca 0.73 0.26 -0.27 0.00 0.70 0.00 0.00 55.95 57.36 1n6f s SER 330 Cb -0.48 0.39 -0.04 0.00 -1.71 0.00 0.00 66.02 64.18 1n6f s SER 330 CO 0.33 -0.20 0.87 -2.16 1.20 0.00 0.00 173.24 173.27 1n6f s PRO 331 N -0.44 4.55 0.35 5.44 0.04 -1.26 -0.65 135.00 143.03 1n6f s PRO 331 Ca -0.05 1.23 0.02 0.00 0.04 0.00 0.00 61.00 62.24 1n6f s PRO 331 Cb -0.04 -3.41 0.02 0.00 0.04 0.00 0.00 34.50 31.12 1n6f s PRO 331 CO 0.01 0.12 0.21 1.28 0.04 0.00 0.00 177.00 178.66 1n6f n LEU 332 N 3.33 0.00 -4.75 -3.56 4.77 0.11 -4.76 117.00 112.13 1n6f n LEU 332 Ca 0.02 -1.89 -0.30 0.00 -0.03 0.00 0.00 56.01 53.80 1n6f n LEU 332 Cb 0.50 0.03 0.11 0.00 -2.33 0.00 0.00 43.42 41.73 1n6f n LEU 332 CO 0.50 -0.43 0.69 -1.81 -1.33 0.00 0.00 177.39 175.00 1n6f s ASP 333 N -3.02 4.16 -1.50 -1.43 -0.00 -1.26 -3.53 116.67 110.10 1n6f s ASP 333 Ca 0.16 1.65 -0.06 0.00 -0.00 0.00 0.00 52.55 54.30 1n6f s ASP 333 Cb -0.01 -2.36 0.02 0.00 -0.00 0.00 0.00 42.92 40.57 1n6f s ASP 333 CO 0.10 -2.23 0.72 0.61 -0.00 0.00 0.00 175.17 174.37 1n6f n GLY 334 N -1.28 -0.52 3.83 0.21 0.00 -1.26 -2.35 105.19 103.82 1n6f n GLY 334 Ca 0.08 0.15 -0.27 0.00 0.00 0.00 0.00 46.02 45.98 1n6f n GLY 334 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1n6f n ASP 335 N -2.61 -3.83 -4.80 1.61 4.64 -1.25 -4.98 116.55 105.34 1n6f n ASP 335 Ca -0.07 -0.78 -0.22 0.00 -1.38 0.00 0.00 54.79 52.34 1n6f n ASP 335 Cb 0.60 -4.01 -0.05 0.00 -1.04 0.00 0.00 41.12 36.62 1n6f n ASP 335 CO 0.00 0.00 0.00 -0.76 -0.82 0.00 0.00 177.20 175.62 1n6f s LEU 336 N -7.11 3.49 0.03 -2.67 1.43 -0.99 -4.38 118.68 108.48 1n6f s LEU 336 Ca 0.46 -0.57 0.07 0.00 -1.03 0.00 0.00 54.13 53.06 1n6f s LEU 336 Cb -0.23 -2.04 -0.02 0.00 0.03 0.00 0.00 46.19 43.93 1n6f s LEU 336 CO 0.82 -0.29 -0.20 -0.63 0.23 0.00 0.00 176.35 176.29 1n6f s ILE 337 N -2.33 1.57 0.08 -0.59 -1.09 0.11 0.06 121.20 119.01 1n6f s ILE 337 Ca 0.39 -1.11 0.06 0.00 -2.23 0.00 0.00 60.65 57.75 1n6f s ILE 337 Cb -0.05 -1.36 -0.03 0.00 -1.58 0.00 0.00 42.46 39.44 1n6f s ILE 337 CO 0.25 0.22 -0.15 0.00 -1.23 0.00 0.00 174.94 174.02 1n6f s ALA 338 N -0.75 1.31 0.13 9.38 0.00 0.18 -0.73 121.76 131.28 1n6f s ALA 338 Ca 0.07 -1.08 -0.25 0.00 0.00 0.00 0.00 51.96 50.70 1n6f s ALA 338 Cb -0.08 -0.12 0.07 0.00 0.00 0.00 0.00 23.12 22.99 1n6f s ALA 338 CO 0.01 0.19 0.93 -0.59 0.00 0.00 0.00 175.76 176.30 1n6f s PHE 339 N -1.37 -0.19 0.04 0.00 -0.12 -1.03 -0.42 117.98 114.89 1n6f s PHE 339 Ca 0.01 -0.09 0.08 0.00 -0.05 0.00 0.00 56.93 56.88 1n6f s PHE 339 Cb -0.09 0.62 -0.03 0.00 -0.63 0.00 0.00 43.02 42.89 1n6f s PHE 339 CO 0.03 -0.79 -0.24 0.08 -0.05 0.00 0.00 175.22 174.24 1n6f s VAL 340 N -3.30 1.97 -0.19 -2.49 1.01 0.38 -1.68 120.40 116.10 1n6f s VAL 340 Ca 0.10 -1.29 -0.13 0.00 0.00 0.00 0.00 61.98 60.66 1n6f s VAL 340 Cb -0.01 -1.68 0.06 0.00 0.00 0.00 0.00 36.38 34.74 1n6f s VAL 340 CO -0.00 0.34 0.48 -0.55 0.00 0.00 0.00 175.10 175.37 1n6f s SER 341 N -1.14 -0.57 -1.57 3.32 0.15 0.54 0.51 113.70 114.93 1n6f s SER 341 Ca 0.10 1.02 -0.17 0.00 0.70 0.00 0.00 55.95 57.60 1n6f s SER 341 Cb -0.10 0.95 0.14 0.00 -1.71 0.00 0.00 66.02 65.30 1n6f s SER 341 CO 0.02 -0.19 0.69 -1.14 1.20 0.00 0.00 173.24 173.81 1n6f n ARG 342 N 3.70 -3.02 -0.18 5.44 0.63 -1.16 0.34 116.66 122.41 1n6f n ARG 342 Ca -0.19 0.36 0.00 0.00 -0.92 0.00 0.00 57.85 57.10 1n6f n ARG 342 Cb 0.56 -5.07 0.00 0.00 0.45 0.00 0.00 32.46 28.40 1n6f n ARG 342 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1n6f n GLY 343 N -1.28 1.82 3.86 5.14 0.00 -1.26 -4.88 105.19 108.59 1n6f n GLY 343 Ca 0.06 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.85 1n6f n GLY 343 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1n6f s GLN 344 N -0.28 3.08 0.11 1.61 -0.21 0.15 -2.10 119.66 122.02 1n6f s GLN 344 Ca 0.00 -0.88 0.09 0.00 0.02 0.00 0.00 55.36 54.60 1n6f s GLN 344 Cb 0.00 -2.71 -0.04 0.00 1.00 0.00 0.00 33.01 31.27 1n6f s GLN 344 CO 0.00 0.45 -0.23 0.00 -2.12 0.00 0.00 175.29 173.39 1n6f s ALA 345 N -1.93 2.01 0.01 6.09 0.00 -1.26 -0.34 121.76 126.34 1n6f s ALA 345 Ca 0.33 -1.33 -0.05 0.00 0.00 0.00 0.00 51.96 50.91 1n6f s ALA 345 Cb -0.09 -0.29 -0.01 0.00 0.00 0.00 0.00 23.12 22.73 1n6f s ALA 345 CO 0.26 0.42 0.08 -0.06 0.00 0.00 0.00 175.76 176.46 1n6f s PHE 346 N -1.13 0.11 -0.24 0.00 0.40 -0.68 -1.03 117.98 115.42 1n6f s PHE 346 Ca 0.09 -0.26 0.01 0.00 -0.60 0.00 0.00 56.93 56.17 1n6f s PHE 346 Cb -0.10 -0.09 0.04 0.00 0.51 0.00 0.00 43.02 43.38 1n6f s PHE 346 CO 0.05 -0.25 -0.12 0.42 0.70 0.00 0.00 175.22 176.02 1n6f s ILE 347 N -1.37 2.32 0.13 0.64 1.09 0.15 -2.47 121.20 121.68 1n6f s ILE 347 Ca -0.15 -1.30 -0.01 0.00 -1.10 0.00 0.00 60.65 58.09 1n6f s ILE 347 Cb -0.08 -2.21 -0.04 0.00 -1.06 0.00 0.00 42.46 39.06 1n6f s ILE 347 CO 0.01 0.18 0.05 0.00 -0.10 0.00 0.00 174.94 175.08 1n6f s GLN 348 N 1.21 0.91 0.54 2.79 -2.07 0.09 0.11 119.66 123.24 1n6f s GLN 348 Ca -0.03 -1.43 -0.09 0.00 -1.82 0.00 0.00 55.36 51.99 1n6f s GLN 348 Cb -0.17 0.24 -0.04 0.00 -1.09 0.00 0.00 33.01 31.95 1n6f s GLN 348 CO -0.07 -0.25 0.91 0.16 -1.32 0.00 0.00 175.29 174.71 1n6f s ASP 349 N -3.04 6.30 0.33 12.60 -4.77 -1.11 0.08 116.67 127.05 1n6f s ASP 349 Ca 0.23 1.21 0.11 0.00 -3.30 0.00 0.00 52.55 50.81 1n6f s ASP 349 Cb 0.07 -2.37 0.94 0.00 -1.09 0.00 0.00 42.92 40.47 1n6f s ASP 349 CO 0.01 -0.69 1.71 -0.37 0.70 0.00 0.00 175.17 176.54 1n6f h VAL 350 N 0.13 0.48 0.00 2.11 -1.51 -1.92 0.32 116.25 115.86 1n6f h VAL 350 Ca -0.46 -0.18 -0.01 0.00 -1.23 0.00 0.00 66.70 64.83 1n6f h VAL 350 Cb 1.19 -0.08 -0.00 0.00 -2.13 0.00 0.00 31.29 30.27 1n6f h VAL 350 CO 0.62 0.09 -0.04 -1.28 -1.23 0.00 0.00 177.57 175.74 1n6f h SER 351 N 0.52 0.00 -0.17 4.19 0.87 -1.83 -0.72 113.55 116.40 1n6f h SER 351 Ca 0.67 0.00 -0.07 0.00 -1.23 0.00 0.00 61.79 61.15 1n6f h SER 351 Cb 1.34 0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 63.27 1n6f h SER 351 CO -0.50 0.04 -0.07 0.61 -0.53 0.00 0.00 176.83 176.38 1n6f n GLY 352 N -0.96 0.64 0.14 5.77 0.00 0.11 -4.40 105.19 106.49 1n6f n GLY 352 Ca -0.02 -0.40 -0.23 0.00 0.00 0.00 0.00 46.02 45.37 1n6f n GLY 352 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1n6f h THR 353 N 0.00 1.00 -3.38 2.61 1.03 -1.86 -3.41 112.91 108.90 1n6f h THR 353 Ca -0.07 -2.57 -0.73 0.00 -0.01 0.00 0.00 66.41 63.03 1n6f h THR 353 Cb 0.38 2.80 -0.30 0.00 -1.07 0.00 0.00 68.15 69.96 1n6f h THR 353 CO 0.11 0.85 -0.34 -0.31 -0.01 0.00 0.00 175.52 175.82 1n6f s TYR 354 N -2.59 3.46 -0.14 0.00 1.51 -1.26 -5.04 117.35 113.29 1n6f s TYR 354 Ca -0.14 -1.99 -0.01 0.00 -1.01 0.00 0.00 57.07 53.92 1n6f s TYR 354 Cb 0.05 -3.50 -0.02 0.00 -0.11 0.00 0.00 41.96 38.39 1n6f s TYR 354 CO 0.87 -0.98 -0.12 0.08 -1.11 0.00 0.00 175.55 174.29 1n6f s VAL 355 N 1.07 3.13 -0.11 0.71 1.01 -1.26 -2.77 120.40 122.18 1n6f s VAL 355 Ca 0.08 -0.63 0.01 0.00 0.00 0.00 0.00 61.98 61.44 1n6f s VAL 355 Cb -0.24 -2.32 -0.01 0.00 0.00 0.00 0.00 36.38 33.80 1n6f s VAL 355 CO -0.02 0.52 -0.15 -0.76 0.00 0.00 0.00 175.10 174.69 1n6f s LEU 356 N 0.41 2.60 -0.16 3.92 1.43 0.12 -4.95 118.68 122.04 1n6f s LEU 356 Ca -0.09 -0.35 -0.13 0.00 -1.03 0.00 0.00 54.13 52.53 1n6f s LEU 356 Cb -0.16 -1.56 -0.05 0.00 0.03 0.00 0.00 46.19 44.45 1n6f s LEU 356 CO 0.05 0.20 0.28 -0.75 0.23 0.00 0.00 176.35 176.36 1n6f s LYS 357 N 0.14 4.25 0.21 1.70 2.20 -1.26 0.32 119.74 127.29 1n6f s LYS 357 Ca -0.08 0.07 -0.30 0.00 -0.36 0.00 0.00 55.97 55.29 1n6f s LYS 357 Cb -0.15 -3.43 -0.10 0.00 -1.51 0.00 0.00 37.83 32.65 1n6f s LYS 357 CO 0.05 0.24 1.45 0.08 -0.36 0.00 0.00 175.35 176.81 1n6f s VAL 358 N 0.47 2.79 -1.29 4.02 1.01 -0.20 -4.90 120.40 122.29 1n6f s VAL 358 Ca 0.16 0.62 -0.17 0.00 0.00 0.00 0.00 61.98 62.59 1n6f s VAL 358 Cb -0.13 -3.40 0.09 0.00 0.00 0.00 0.00 36.38 32.94 1n6f s VAL 358 CO 0.03 0.08 1.72 -0.81 0.00 0.00 0.00 175.10 176.12 1n6f n PRO 359 N 2.90 3.22 -3.73 2.72 -0.04 -1.26 -4.72 135.00 134.09 1n6f n PRO 359 Ca 0.09 -3.35 -0.13 0.00 -0.04 0.00 0.00 63.50 60.07 1n6f n PRO 359 Cb 0.40 -3.40 -0.10 0.00 -0.04 0.00 0.00 33.50 30.36 1n6f n PRO 359 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 1n6f s GLU 360 N 3.63 0.46 1.19 0.54 0.41 -1.26 -5.05 118.70 118.62 1n6f s GLU 360 Ca 0.51 0.58 -0.18 0.00 -0.41 0.00 0.00 54.97 55.48 1n6f s GLU 360 Cb 0.03 0.20 0.22 0.00 -1.78 0.00 0.00 34.13 32.81 1n6f s GLU 360 CO 0.06 -0.07 0.48 -0.35 -0.49 0.00 0.00 175.26 174.89 1n6f n PRO 361 N 3.00 -2.70 -1.51 0.39 -0.04 -1.26 -4.89 135.00 128.00 1n6f n PRO 361 Ca -0.14 -0.78 -0.39 0.00 -0.04 0.00 0.00 63.50 62.14 1n6f n PRO 361 Cb 0.57 -1.80 0.03 0.00 -0.04 0.00 0.00 33.50 32.26 1n6f n PRO 361 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1n6f n LEU 362 N -3.21 1.27 -2.05 1.53 4.77 -1.26 -4.56 117.00 113.49 1n6f n LEU 362 Ca 0.05 0.84 -0.02 0.00 -0.03 0.00 0.00 56.01 56.84 1n6f n LEU 362 Cb 0.54 -1.22 0.00 0.00 -2.33 0.00 0.00 43.42 40.42 1n6f n LEU 362 CO 0.45 -2.59 -0.08 0.54 -1.33 0.00 0.00 177.39 174.37 1n6f n ARG 363 N 0.01 -1.23 -3.68 3.23 5.12 -1.20 -4.56 116.66 114.35 1n6f n ARG 363 Ca 0.11 1.32 -0.38 0.00 -1.93 0.00 0.00 57.85 56.98 1n6f n ARG 363 Cb 0.44 -3.12 -0.09 0.00 -1.16 0.00 0.00 32.46 28.52 1n6f n ARG 363 CO 0.00 0.00 0.00 0.42 -1.93 0.00 0.00 177.63 176.12 1n6f s ILE 364 N -1.27 3.81 0.09 0.55 1.01 -0.89 0.15 121.20 124.66 1n6f s ILE 364 Ca 0.06 -2.58 -0.21 0.00 0.00 0.00 0.00 60.65 57.92 1n6f s ILE 364 Cb -0.02 -3.50 -0.10 0.00 0.01 0.00 0.00 42.46 38.85 1n6f s ILE 364 CO 0.33 -0.83 1.69 0.03 0.00 0.00 0.00 174.94 176.16 1n6f h ARG 365 N 7.48 0.19 -4.65 2.79 3.08 -0.77 -3.44 114.38 119.06 1n6f h ARG 365 Ca -0.06 -0.02 -0.26 0.00 0.07 0.00 0.00 59.98 59.71 1n6f h ARG 365 Cb 0.99 -0.04 -0.19 0.00 0.08 0.00 0.00 29.97 30.82 1n6f h ARG 365 CO 0.73 0.21 -0.72 0.71 -1.07 0.00 0.00 179.97 179.83 1n6f s TYR 366 N -5.85 0.80 -0.04 3.04 1.51 -1.19 -4.95 117.35 110.67 1n6f s TYR 366 Ca -0.13 -0.66 0.02 0.00 -1.01 0.00 0.00 57.07 55.29 1n6f s TYR 366 Cb 0.07 -0.47 0.01 0.00 -0.11 0.00 0.00 41.96 41.47 1n6f s TYR 366 CO 0.69 -0.10 -0.07 0.08 -1.11 0.00 0.00 175.55 175.04 1n6f s VAL 367 N -2.25 0.71 -0.00 0.71 1.01 -1.26 -0.81 120.40 118.50 1n6f s VAL 367 Ca -0.01 -0.27 0.00 0.00 0.00 0.00 0.00 61.98 61.70 1n6f s VAL 367 Cb -0.04 -0.67 0.00 0.00 0.00 0.00 0.00 36.38 35.67 1n6f s VAL 367 CO -0.01 0.25 -0.00 -0.13 0.00 0.00 0.00 175.10 175.20 1n6f s ARG 368 N 0.56 0.03 0.11 2.72 3.00 0.25 -4.91 118.95 120.70 1n6f s ARG 368 Ca -0.09 0.00 -0.33 0.00 0.00 0.00 0.00 55.73 55.32 1n6f s ARG 368 Cb -0.12 -0.06 -0.12 0.00 0.00 0.00 0.00 34.95 34.65 1n6f s ARG 368 CO 0.01 -0.01 1.72 -2.13 0.00 0.00 0.00 175.30 174.89 1n6f n ARG 369 N 3.18 2.38 0.00 3.54 3.00 -1.26 0.89 116.66 128.39 1n6f n ARG 369 Ca -0.14 0.86 0.00 0.00 -0.00 0.00 0.00 57.85 58.58 1n6f n ARG 369 Cb 0.59 -2.69 0.00 0.00 0.00 0.00 0.00 32.46 30.36 1n6f n ARG 369 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1n6f n GLY 370 N 3.87 -0.38 0.00 5.14 0.00 -0.71 -4.62 105.19 108.50 1n6f n GLY 370 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.20 1n6f n GLY 370 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1n6f n GLY 371 N -0.00 -1.77 0.23 -0.02 0.00 -0.58 -4.50 105.19 98.56 1n6f n GLY 371 Ca 0.00 -1.12 0.01 0.00 0.00 0.00 0.00 46.02 44.91 1n6f n GLY 371 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1n6f h ASP 372 N 0.00 0.05 0.00 1.61 3.45 -2.00 -3.20 116.42 116.33 1n6f h ASP 372 Ca 0.00 0.11 0.00 0.00 0.43 0.00 0.00 57.03 57.57 1n6f h ASP 372 Cb 0.00 0.14 0.00 0.00 -0.56 0.00 0.00 39.33 38.91 1n6f h ASP 372 CO 0.00 0.03 0.00 0.35 -1.57 0.00 0.00 179.24 178.05 1n6f n THR 373 N -5.10 0.26 -3.97 0.35 -2.24 -1.26 -4.72 114.28 97.61 1n6f n THR 373 Ca 0.09 -0.41 -0.31 0.00 -2.27 0.00 0.00 64.05 61.15 1n6f n THR 373 Cb 0.32 1.10 -0.05 0.00 -2.10 0.00 0.00 70.33 69.61 1n6f n THR 373 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1n6f s LYS 374 N -0.26 3.25 -0.01 -0.78 1.02 -1.21 -1.44 119.74 120.31 1n6f s LYS 374 Ca 0.00 -0.52 -0.01 0.00 0.02 0.00 0.00 55.97 55.47 1n6f s LYS 374 Cb 0.00 -2.94 0.01 0.00 -0.52 0.00 0.00 37.83 34.38 1n6f s LYS 374 CO 0.00 0.60 0.02 0.54 -0.92 0.00 0.00 175.35 175.59 1n6f s VAL 375 N -1.46 -0.01 0.13 3.17 0.11 0.21 -1.52 120.40 121.04 1n6f s VAL 375 Ca 0.33 0.03 -0.04 0.00 -2.93 0.00 0.00 61.98 59.37 1n6f s VAL 375 Cb -0.13 -0.05 -0.05 0.00 -1.53 0.00 0.00 36.38 34.62 1n6f s VAL 375 CO 0.25 0.01 0.35 0.00 -3.33 0.00 0.00 175.10 172.39 1n6f s ALA 376 N 0.16 3.83 0.11 1.54 0.00 0.26 -0.88 121.76 126.77 1n6f s ALA 376 Ca -0.01 -0.61 -0.07 0.00 0.00 0.00 0.00 51.96 51.27 1n6f s ALA 376 Cb -0.02 -2.08 -0.01 0.00 0.00 0.00 0.00 23.12 21.01 1n6f s ALA 376 CO -0.00 0.69 0.18 -0.59 0.00 0.00 0.00 175.76 176.04 1n6f s PHE 377 N -1.64 0.35 -0.27 0.00 -0.12 0.33 0.85 117.98 117.49 1n6f s PHE 377 Ca 0.40 -0.77 -0.03 0.00 -0.05 0.00 0.00 56.93 56.48 1n6f s PHE 377 Cb -0.12 -0.15 0.03 0.00 -0.63 0.00 0.00 43.02 42.15 1n6f s PHE 377 CO 0.25 -0.58 -0.02 0.42 -0.05 0.00 0.00 175.22 175.25 1n6f s ILE 378 N -3.92 3.13 -0.21 -4.49 -1.09 0.01 0.59 121.20 115.21 1n6f s ILE 378 Ca 0.11 -1.01 -0.13 0.00 -2.23 0.00 0.00 60.65 57.40 1n6f s ILE 378 Cb 0.05 -2.63 -0.05 0.00 -1.58 0.00 0.00 42.46 38.26 1n6f s ILE 378 CO -0.06 0.13 0.25 -2.28 -1.23 0.00 0.00 174.94 171.75 1n6f s HIS 379 N 1.35 3.36 -0.09 3.97 5.65 0.47 -0.01 115.29 129.99 1n6f s HIS 379 Ca -0.00 0.41 -0.04 0.00 0.25 0.00 0.00 55.06 55.68 1n6f s HIS 379 Cb -0.17 -2.35 -0.04 0.00 -1.18 0.00 0.00 32.58 28.84 1n6f s HIS 379 CO -0.02 0.08 0.07 0.20 -0.65 0.00 0.00 174.74 174.42 1n6f s GLY 380 N 0.92 2.01 0.30 1.59 0.00 0.41 -0.87 107.32 111.68 1n6f s GLY 380 Ca 0.12 -0.74 0.05 0.00 0.00 0.00 0.00 44.72 44.15 1n6f s GLY 380 CO 0.05 -0.51 0.18 -1.30 0.00 0.00 0.00 173.10 171.52 1n6f n THR 381 N 1.96 0.00 0.13 0.90 -2.24 0.13 -4.45 114.28 110.70 1n6f n THR 381 Ca -0.19 -1.99 0.04 0.00 -2.27 0.00 0.00 64.05 59.64 1n6f n THR 381 Cb 0.54 0.87 0.44 0.00 -2.10 0.00 0.00 70.33 70.08 1n6f n THR 381 CO 0.00 0.00 0.00 -0.09 -0.57 0.00 0.00 175.07 174.41 1n6f h ARG 382 N 0.00 0.24 0.03 -0.78 2.43 -1.98 -2.71 114.38 111.62 1n6f h ARG 382 Ca -0.23 -0.04 -0.22 0.00 -0.81 0.00 0.00 59.98 58.69 1n6f h ARG 382 Cb 1.00 -0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 30.50 1n6f h ARG 382 CO 0.34 0.31 -0.98 0.93 -1.51 0.00 0.00 179.97 179.06 1n6f h GLU 383 N 0.23 0.18 0.00 0.20 4.39 -2.00 -3.50 114.58 114.09 1n6f h GLU 383 Ca 0.05 -0.24 0.00 0.00 0.34 0.00 0.00 59.36 59.51 1n6f h GLU 383 Cb 0.24 0.08 0.00 0.00 -0.10 0.00 0.00 28.75 28.97 1n6f h GLU 383 CO 0.01 1.03 0.00 0.41 -1.16 0.00 0.00 179.01 179.30 1n6f n GLY 384 N 1.11 -0.49 3.60 -3.84 0.00 -1.02 -4.96 105.19 99.58 1n6f n GLY 384 Ca -0.04 -1.10 -0.33 0.00 0.00 0.00 0.00 46.02 44.55 1n6f n GLY 384 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1n6f s ASP 385 N -4.00 4.71 0.05 1.61 -0.00 -0.74 0.17 116.67 118.47 1n6f s ASP 385 Ca 0.00 -0.05 0.04 0.00 -0.00 0.00 0.00 52.55 52.54 1n6f s ASP 385 Cb 0.00 -1.17 -0.02 0.00 -0.00 0.00 0.00 42.92 41.73 1n6f s ASP 385 CO 0.00 0.33 -0.11 -0.36 -0.00 0.00 0.00 175.17 175.03 1n6f s PHE 386 N -0.89 0.93 0.08 4.23 0.40 -0.05 -1.17 117.98 121.50 1n6f s PHE 386 Ca 0.14 -0.44 -0.23 0.00 -0.60 0.00 0.00 56.93 55.80 1n6f s PHE 386 Cb -0.11 -0.54 -0.06 0.00 0.51 0.00 0.00 43.02 42.81 1n6f s PHE 386 CO 0.04 -0.01 0.70 -1.17 0.70 0.00 0.00 175.22 175.48 1n6f s LEU 387 N -1.48 4.50 0.06 -0.37 1.98 -1.26 -0.39 118.68 121.72 1n6f s LEU 387 Ca -0.05 1.42 0.01 0.00 -2.89 0.00 0.00 54.13 52.63 1n6f s LEU 387 Cb -0.09 -3.14 -0.03 0.00 0.66 0.00 0.00 46.19 43.59 1n6f s LEU 387 CO 0.01 0.14 -0.06 -0.83 -1.89 0.00 0.00 176.35 173.71 1n6f s GLY 388 N -0.59 0.57 0.08 7.98 0.00 0.20 -2.69 107.32 112.87 1n6f s GLY 388 Ca 0.35 -1.03 0.08 0.00 0.00 0.00 0.00 44.72 44.12 1n6f s GLY 388 CO 0.22 -1.11 -0.20 -0.42 0.00 0.00 0.00 173.10 171.59 1n6f s ILE 389 N -2.57 1.65 -0.02 0.90 1.01 -1.11 0.12 121.20 121.18 1n6f s ILE 389 Ca -0.00 -1.40 -0.10 0.00 0.00 0.00 0.00 60.65 59.14 1n6f s ILE 389 Cb -0.02 -1.48 0.01 0.00 0.01 0.00 0.00 42.46 40.99 1n6f s ILE 389 CO -0.03 0.02 0.22 -0.47 0.00 0.00 0.00 174.94 174.68 1n6f s TYR 390 N -1.04 -0.10 -0.25 3.97 5.04 -0.06 -2.80 117.35 122.11 1n6f s TYR 390 Ca 0.06 0.17 0.01 0.00 -2.44 0.00 0.00 57.07 54.87 1n6f s TYR 390 Cb -0.10 0.03 0.07 0.00 0.35 0.00 0.00 41.96 42.31 1n6f s TYR 390 CO 0.03 -0.30 -0.04 0.34 -1.34 0.00 0.00 175.55 174.25 1n6f s ASP 391 N -1.08 4.00 0.00 4.32 3.68 -0.64 0.66 116.67 127.61 1n6f s ASP 391 Ca -0.12 -1.32 0.01 0.00 2.13 0.00 0.00 52.55 53.26 1n6f s ASP 391 Cb -0.06 -1.23 0.08 0.00 -1.45 0.00 0.00 42.92 40.26 1n6f s ASP 391 CO 0.02 -0.26 0.78 0.00 0.13 0.00 0.00 175.17 175.85 1n6f n TYR 392 N 4.62 0.00 -0.07 -5.34 0.18 -0.52 -1.38 117.16 114.66 1n6f n TYR 392 Ca -0.10 0.00 -0.13 0.00 1.88 0.00 0.00 57.90 59.55 1n6f n TYR 392 Cb 0.44 0.00 -0.04 0.00 -0.38 0.00 0.00 39.34 39.35 1n6f n TYR 392 CO 0.00 0.00 0.00 -2.13 -2.08 0.00 0.00 176.86 172.65 1n6f n ARG 393 N -0.53 0.36 0.12 -3.48 0.63 -1.26 -4.74 116.66 107.76 1n6f n ARG 393 Ca 0.01 0.15 -0.21 0.00 -0.92 0.00 0.00 57.85 56.88 1n6f n ARG 393 Cb 0.00 -1.12 -0.15 0.00 0.45 0.00 0.00 32.46 31.65 1n6f n ARG 393 CO 0.00 0.00 0.00 1.79 -2.51 0.00 0.00 177.63 176.91 1n6f h THR 394 N -0.64 1.32 0.00 5.15 1.35 -1.92 -3.48 112.91 114.69 1n6f h THR 394 Ca -0.24 -2.82 0.00 0.00 -0.55 0.00 0.00 66.41 62.80 1n6f h THR 394 Cb 1.04 2.97 0.00 0.00 -1.73 0.00 0.00 68.15 70.43 1n6f h THR 394 CO -0.14 0.84 0.00 0.61 -0.25 0.00 0.00 175.52 176.58 1n6f n GLY 395 N 1.66 2.35 3.64 5.82 0.00 -0.48 -5.08 105.19 113.10 1n6f n GLY 395 Ca -0.14 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.46 1n6f n GLY 395 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1n6f n LYS 396 N -0.57 1.57 -2.91 1.61 2.85 -1.26 -4.71 118.16 114.74 1n6f n LYS 396 Ca 0.00 0.56 -0.09 0.00 -1.05 0.00 0.00 58.31 57.73 1n6f n LYS 396 Cb 0.00 -2.15 -0.01 0.00 -0.65 0.00 0.00 35.03 32.21 1n6f n LYS 396 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1n6f s ALA 397 N -1.23 -1.37 0.83 0.58 0.00 -1.26 -1.62 121.76 117.69 1n6f s ALA 397 Ca 0.62 -0.82 -0.11 0.00 0.00 0.00 0.00 51.96 51.65 1n6f s ALA 397 Cb -0.55 -2.48 0.09 0.00 0.00 0.00 0.00 23.12 20.18 1n6f s ALA 397 CO 0.58 -2.18 1.09 -2.00 0.00 0.00 0.00 175.76 173.24 1n6f s GLU 398 N 0.75 1.80 -0.29 0.00 2.12 -1.12 -4.91 118.70 117.05 1n6f s GLU 398 Ca 0.30 1.01 -0.01 0.00 0.36 0.00 0.00 54.97 56.63 1n6f s GLU 398 Cb 0.00 -1.86 0.13 0.00 0.26 0.00 0.00 34.13 32.67 1n6f s GLU 398 CO -0.08 -1.92 0.28 0.21 -0.54 0.00 0.00 175.26 173.22 1n6f s LYS 399 N -4.92 0.31 0.96 4.30 2.20 -1.26 -2.75 119.74 118.58 1n6f s LYS 399 Ca 0.62 -0.15 -0.12 0.00 -0.36 0.00 0.00 55.97 55.96 1n6f s LYS 399 Cb -0.17 -0.70 0.08 0.00 -1.51 0.00 0.00 37.83 35.52 1n6f s LYS 399 CO 0.56 -1.01 0.59 1.19 -0.36 0.00 0.00 175.35 176.32 1n6f n PHE 400 N 5.31 -0.85 -0.01 4.03 0.99 -1.09 -4.98 117.46 120.86 1n6f n PHE 400 Ca -0.02 0.26 0.07 0.00 -0.00 0.00 0.00 57.45 57.75 1n6f n PHE 400 Cb 0.46 -1.82 -0.11 0.00 -1.00 0.00 0.00 39.48 37.00 1n6f n PHE 400 CO 0.00 0.00 0.00 0.39 -0.00 0.00 0.00 176.76 177.15 1n6f n GLU 401 N -2.49 0.53 -1.60 -1.08 -0.58 -1.26 -4.70 120.64 109.46 1n6f n GLU 401 Ca 0.08 -0.13 -0.46 0.00 -0.42 0.00 0.00 57.16 56.23 1n6f n GLU 401 Cb 0.54 -1.35 -0.04 0.00 -0.57 0.00 0.00 31.44 30.01 1n6f n GLU 401 CO 0.00 0.00 0.00 0.39 -0.48 0.00 0.00 177.13 177.04 1n6f n GLU 402 N -2.04 1.94 -2.35 3.49 -0.58 -1.26 -4.91 120.64 114.92 1n6f n GLU 402 Ca -0.04 0.63 -0.42 0.00 -0.42 0.00 0.00 57.16 56.91 1n6f n GLU 402 Cb 0.42 -2.84 -0.03 0.00 -0.57 0.00 0.00 31.44 28.41 1n6f n GLU 402 CO 0.00 0.00 0.00 1.21 -0.48 0.00 0.00 177.13 177.86 1n6f s ASN 403 N 6.27 6.99 0.00 1.62 3.04 -1.26 -4.56 114.94 127.04 1n6f s ASN 403 Ca 0.99 2.05 0.20 0.00 0.04 0.00 0.00 52.86 56.14 1n6f s ASN 403 Cb -0.58 -2.57 0.05 0.00 -1.54 0.00 0.00 41.25 36.61 1n6f s ASN 403 CO 0.45 -0.56 1.03 0.18 -3.04 0.00 0.00 177.10 175.16 1n6f n LEU 404 N 4.35 2.13 0.00 3.21 4.77 -0.32 -5.03 117.00 126.11 1n6f n LEU 404 Ca 0.10 -0.84 0.00 0.00 -0.03 0.00 0.00 56.01 55.24 1n6f n LEU 404 Cb 0.45 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.54 1n6f n LEU 404 CO 0.56 0.39 0.00 0.61 -1.33 0.00 0.00 177.39 177.62 1n6f n GLY 405 N 1.24 -0.05 3.31 -0.72 0.00 -1.25 -4.68 105.19 103.03 1n6f n GLY 405 Ca 0.09 -1.50 -0.46 0.00 0.00 0.00 0.00 46.02 44.15 1n6f n GLY 405 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1n6f s ASN 406 N -4.00 6.19 0.21 1.61 0.01 -1.26 -1.79 114.94 115.91 1n6f s ASN 406 Ca 0.00 -1.80 -0.30 0.00 -0.71 0.00 0.00 52.86 50.06 1n6f s ASN 406 Cb 0.00 -2.21 -0.08 0.00 0.41 0.00 0.00 41.25 39.37 1n6f s ASN 406 CO 0.00 -0.86 1.16 -0.69 -1.51 0.00 0.00 177.10 175.20 1n6f s VAL 407 N 1.59 3.57 0.00 1.60 1.01 -1.26 -1.50 120.40 125.41 1n6f s VAL 407 Ca 0.03 1.40 0.00 0.00 0.00 0.00 0.00 61.98 63.41 1n6f s VAL 407 Cb -0.30 -3.89 0.00 0.00 0.00 0.00 0.00 36.38 32.19 1n6f s VAL 407 CO 0.03 0.26 0.18 0.49 0.00 0.00 0.00 175.10 176.06 1n6f n PHE 408 N 2.07 0.00 -3.66 5.22 3.01 0.12 -4.96 117.46 119.26 1n6f n PHE 408 Ca 0.02 0.00 -0.14 0.00 1.01 0.00 0.00 57.45 58.34 1n6f n PHE 408 Cb 0.45 0.00 -0.08 0.00 -0.01 0.00 0.00 39.48 39.84 1n6f n PHE 408 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1n6f s ALA 409 N -0.24 -1.44 -0.21 4.37 0.00 -1.22 -5.00 121.76 118.02 1n6f s ALA 409 Ca 0.00 1.48 -0.11 0.00 0.00 0.00 0.00 51.96 53.33 1n6f s ALA 409 Cb 0.00 -0.71 0.07 0.00 0.00 0.00 0.00 23.12 22.48 1n6f s ALA 409 CO 0.00 -0.29 0.50 1.41 0.00 0.00 0.00 175.76 177.38 1n6f s MET 410 N -0.08 0.48 0.14 0.00 1.75 -1.26 -1.89 119.30 118.43 1n6f s MET 410 Ca -0.03 0.99 0.02 0.00 -1.25 0.00 0.00 55.69 55.41 1n6f s MET 410 Cb -0.04 0.13 -0.04 0.00 2.84 0.00 0.00 34.83 37.72 1n6f s MET 410 CO 0.03 -0.17 -0.03 0.20 -0.65 0.00 0.00 175.02 174.40 1n6f s GLY 411 N 1.74 1.01 0.01 2.11 0.00 -0.18 -4.94 107.32 107.07 1n6f s GLY 411 Ca -0.08 -1.48 0.05 0.00 0.00 0.00 0.00 44.72 43.21 1n6f s GLY 411 CO -0.15 -1.49 -0.15 0.14 0.00 0.00 0.00 173.10 171.44 1n6f s VAL 412 N -3.66 1.22 0.92 1.40 1.01 -1.26 -0.49 120.40 119.54 1n6f s VAL 412 Ca 0.19 -0.79 -0.11 0.00 0.00 0.00 0.00 61.98 61.26 1n6f s VAL 412 Cb 0.06 -1.05 0.14 0.00 0.00 0.00 0.00 36.38 35.53 1n6f s VAL 412 CO 0.00 0.24 1.09 1.51 0.00 0.00 0.00 175.10 177.94 1n6f s ASP 413 N -0.63 3.18 0.51 3.32 3.84 -0.91 -4.90 116.67 121.08 1n6f s ASP 413 Ca 0.05 1.64 0.30 0.00 -0.00 0.00 0.00 52.55 54.54 1n6f s ASP 413 Cb -0.07 -2.29 1.20 0.00 -1.38 0.00 0.00 42.92 40.38 1n6f s ASP 413 CO 0.00 -2.84 1.93 -0.09 -0.00 0.00 0.00 175.17 174.17 1n6f h ARG 414 N -1.69 0.00 -0.05 2.11 2.43 -1.86 -2.58 114.38 112.75 1n6f h ARG 414 Ca -0.49 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.68 1n6f h ARG 414 Cb 1.28 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.83 1n6f h ARG 414 CO 0.52 0.09 0.00 -1.71 -1.51 0.00 0.00 179.97 177.35 1n6f n ASN 415 N -3.23 1.77 -2.22 -3.80 4.05 -1.26 -4.96 115.26 105.60 1n6f n ASN 415 Ca 0.00 -1.61 -0.20 0.00 0.45 0.00 0.00 54.58 53.23 1n6f n ASN 415 Cb 0.35 -0.02 -0.01 0.00 1.23 0.00 0.00 39.78 41.33 1n6f n ASN 415 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 1n6f n GLY 416 N 1.20 -0.36 0.11 8.20 0.00 -0.97 -4.91 105.19 108.46 1n6f n GLY 416 Ca 0.18 -0.06 -0.14 0.00 0.00 0.00 0.00 46.02 46.01 1n6f n GLY 416 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1n6f n LYS 417 N -2.88 0.73 -4.26 1.61 5.02 -1.26 -4.89 118.16 112.24 1n6f n LYS 417 Ca -0.23 0.07 -0.15 0.00 -2.02 0.00 0.00 58.31 55.98 1n6f n LYS 417 Cb 0.68 -1.50 -0.10 0.00 -0.02 0.00 0.00 35.03 34.09 1n6f n LYS 417 CO 0.00 0.00 0.00 -0.59 -0.52 0.00 0.00 177.40 176.29 1n6f s PHE 418 N -2.48 1.36 0.07 2.13 -0.71 -1.26 -1.09 117.98 116.00 1n6f s PHE 418 Ca -0.22 -1.34 0.03 0.00 -1.04 0.00 0.00 56.93 54.37 1n6f s PHE 418 Cb 0.07 -0.70 -0.03 0.00 -1.21 0.00 0.00 43.02 41.15 1n6f s PHE 418 CO 0.68 -0.55 -0.10 0.00 -1.34 0.00 0.00 175.22 173.90 1n6f s ALA 419 N -3.94 0.94 -0.12 1.99 0.00 -0.36 -2.14 121.76 118.14 1n6f s ALA 419 Ca 0.38 -1.01 -0.02 0.00 0.00 0.00 0.00 51.96 51.32 1n6f s ALA 419 Cb 0.07 0.01 -0.03 0.00 0.00 0.00 0.00 23.12 23.17 1n6f s ALA 419 CO 0.14 0.01 -0.06 0.08 0.00 0.00 0.00 175.76 175.94 1n6f s VAL 420 N -1.84 3.75 0.02 0.00 1.01 0.36 -0.33 120.40 123.37 1n6f s VAL 420 Ca -0.01 -0.43 0.03 0.00 0.00 0.00 0.00 61.98 61.57 1n6f s VAL 420 Cb -0.07 -2.60 -0.02 0.00 0.00 0.00 0.00 36.38 33.70 1n6f s VAL 420 CO 0.01 0.54 -0.11 -0.69 0.00 0.00 0.00 175.10 174.85 1n6f s VAL 421 N -0.09 0.83 -0.02 2.92 1.01 0.04 -1.00 120.40 124.09 1n6f s VAL 421 Ca 0.01 -0.72 0.08 0.00 0.00 0.00 0.00 61.98 61.35 1n6f s VAL 421 Cb -0.13 -0.75 -0.02 0.00 0.00 0.00 0.00 36.38 35.48 1n6f s VAL 421 CO 0.03 0.04 -0.25 0.00 0.00 0.00 0.00 175.10 174.91 1n6f s ALA 422 N -0.63 2.10 0.40 5.51 0.00 -0.79 -1.46 121.76 126.88 1n6f s ALA 422 Ca 0.01 -1.09 0.04 0.00 0.00 0.00 0.00 51.96 50.91 1n6f s ALA 422 Cb -0.06 -0.53 -0.03 0.00 0.00 0.00 0.00 23.12 22.50 1n6f s ALA 422 CO 0.00 0.51 0.13 0.54 0.00 0.00 0.00 175.76 176.95 1n6f s ASN 423 N -0.62 2.74 0.00 0.00 6.03 -1.15 -0.71 114.94 121.23 1n6f s ASN 423 Ca 0.10 -1.66 0.22 0.00 -1.03 0.00 0.00 52.86 50.48 1n6f s ASN 423 Cb -0.10 0.49 1.29 0.00 -3.03 0.00 0.00 41.25 39.90 1n6f s ASN 423 CO -0.01 -0.92 1.71 -0.90 -2.03 0.00 0.00 177.10 174.95 1n6f n ASP 424 N -1.28 0.00 -0.68 3.54 5.75 -0.56 -1.88 116.55 121.43 1n6f n ASP 424 Ca -0.05 -0.91 0.12 0.00 -0.01 0.00 0.00 54.79 53.93 1n6f n ASP 424 Cb 0.65 0.00 0.35 0.00 -1.03 0.00 0.00 41.12 41.09 1n6f n ASP 424 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 1n6f n ARG 425 N -0.93 1.91 -1.72 0.11 1.74 -1.26 -4.92 116.66 111.60 1n6f n ARG 425 Ca 0.16 -1.36 -0.09 0.00 -0.77 0.00 0.00 57.85 55.79 1n6f n ARG 425 Cb 0.07 -1.44 -0.02 0.00 -1.02 0.00 0.00 32.46 30.05 1n6f n ARG 425 CO 0.00 0.00 0.00 1.19 -1.52 0.00 0.00 177.63 177.30 1n6f n PHE 426 N 0.60 -0.22 -3.98 -1.55 0.99 -0.79 -4.76 117.46 107.76 1n6f n PHE 426 Ca 0.17 0.00 -0.28 0.00 -0.00 0.00 0.00 57.45 57.34 1n6f n PHE 426 Cb 0.41 -2.04 -0.04 0.00 -1.00 0.00 0.00 39.48 36.81 1n6f n PHE 426 CO 0.00 0.00 0.00 -1.21 -0.00 0.00 0.00 176.76 175.55 1n6f s GLU 427 N -3.62 3.26 -0.06 -1.08 2.02 -1.26 -0.63 118.70 117.33 1n6f s GLU 427 Ca 0.00 -0.62 0.03 0.00 0.02 0.00 0.00 54.97 54.40 1n6f s GLU 427 Cb 0.00 -2.89 0.01 0.00 0.10 0.00 0.00 34.13 31.35 1n6f s GLU 427 CO 0.00 0.54 -0.15 -1.50 0.02 0.00 0.00 175.26 174.18 1n6f s ILE 428 N -1.63 1.28 0.20 -1.63 2.07 -0.65 -2.96 121.20 117.89 1n6f s ILE 428 Ca 0.33 -0.59 -0.06 0.00 -1.41 0.00 0.00 60.65 58.92 1n6f s ILE 428 Cb -0.12 -1.14 -0.02 0.00 0.13 0.00 0.00 42.46 41.31 1n6f s ILE 428 CO 0.26 0.38 0.26 0.00 -1.91 0.00 0.00 174.94 173.94 1n6f s MET 429 N 0.44 1.26 -0.21 3.50 0.23 -0.54 0.08 119.30 124.06 1n6f s MET 429 Ca -0.12 -1.39 0.00 0.00 -1.03 0.00 0.00 55.69 53.16 1n6f s MET 429 Cb -0.14 0.35 0.02 0.00 -1.53 0.00 0.00 34.83 33.53 1n6f s MET 429 CO 0.04 -0.46 -0.14 0.95 -2.03 0.00 0.00 175.02 173.38 1n6f s THR 430 N -4.06 2.36 -0.24 3.16 -4.23 -0.34 -0.78 115.64 111.50 1n6f s THR 430 Ca 0.27 -1.02 -0.12 0.00 -1.18 0.00 0.00 61.69 59.64 1n6f s THR 430 Cb 0.04 -2.11 -0.05 0.00 1.34 0.00 0.00 72.50 71.73 1n6f s THR 430 CO 0.07 0.37 0.21 -0.69 -0.54 0.00 0.00 174.62 174.05 1n6f s VAL 431 N 1.28 5.32 -0.00 2.29 1.01 0.55 -1.73 120.40 129.13 1n6f s VAL 431 Ca 0.02 0.28 -0.30 0.00 0.00 0.00 0.00 61.98 61.98 1n6f s VAL 431 Cb -0.15 -3.55 -0.07 0.00 0.00 0.00 0.00 36.38 32.61 1n6f s VAL 431 CO -0.09 0.31 1.77 -0.62 0.00 0.00 0.00 175.10 176.47 1n6f s ASP 432 N 1.14 6.58 0.00 3.32 -1.08 -0.95 -1.22 116.67 124.46 1n6f s ASP 432 Ca 0.10 2.44 0.17 0.00 -0.52 0.00 0.00 52.55 54.73 1n6f s ASP 432 Cb -0.14 -2.54 0.77 0.00 -1.46 0.00 0.00 42.92 39.56 1n6f s ASP 432 CO 0.06 -0.97 1.53 0.18 0.52 0.00 0.00 175.17 176.49 1n6f n LEU 433 N 7.04 0.00 -0.08 -1.34 4.77 -0.25 -1.39 117.00 125.75 1n6f n LEU 433 Ca 0.18 0.42 -0.08 0.00 -0.03 0.00 0.00 56.01 56.51 1n6f n LEU 433 Cb 0.42 -0.42 -0.03 0.00 -2.33 0.00 0.00 43.42 41.06 1n6f n LEU 433 CO 0.64 -0.18 -0.59 1.21 -1.33 0.00 0.00 177.39 177.14 1n6f n GLU 434 N -1.42 0.49 -0.05 3.23 2.13 -1.26 -4.76 120.64 118.99 1n6f n GLU 434 Ca 0.06 0.25 -0.14 0.00 0.66 0.00 0.00 57.16 57.98 1n6f n GLU 434 Cb 0.18 -1.42 -0.12 0.00 0.27 0.00 0.00 31.44 30.35 1n6f n GLU 434 CO 0.00 0.00 0.00 1.79 -0.41 0.00 0.00 177.13 178.51 1n6f h THR 435 N -0.94 1.64 0.00 6.31 1.35 -1.95 -3.48 112.91 115.84 1n6f h THR 435 Ca 0.00 -1.95 0.00 0.00 -0.55 0.00 0.00 66.41 63.91 1n6f h THR 435 Cb 0.87 2.96 0.00 0.00 -1.73 0.00 0.00 68.15 70.24 1n6f h THR 435 CO 0.00 0.51 0.00 0.61 -0.25 0.00 0.00 175.52 176.39 1n6f n GLY 436 N 1.13 1.06 3.67 5.82 0.00 -0.49 -5.01 105.19 111.37 1n6f n GLY 436 Ca -0.10 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.50 1n6f n GLY 436 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1n6f s LYS 437 N -0.35 4.19 0.60 1.61 2.20 -1.26 -4.58 119.74 122.15 1n6f s LYS 437 Ca 0.00 2.20 -0.10 0.00 -0.36 0.00 0.00 55.97 57.71 1n6f s LYS 437 Cb 0.00 -3.88 -0.04 0.00 -1.51 0.00 0.00 37.83 32.40 1n6f s LYS 437 CO 0.00 -0.80 0.99 -1.25 -0.36 0.00 0.00 175.35 173.93 1n6f s PRO 438 N 3.63 3.59 -0.25 4.03 0.04 -1.26 -2.24 135.00 142.54 1n6f s PRO 438 Ca 0.73 0.66 -0.02 0.00 0.04 0.00 0.00 61.00 62.41 1n6f s PRO 438 Cb -0.34 -2.13 0.13 0.00 0.04 0.00 0.00 34.50 32.20 1n6f s PRO 438 CO 0.30 -0.52 0.32 0.99 0.04 0.00 0.00 177.00 178.13 1n6f s THR 439 N -3.11 -0.48 0.13 1.26 2.01 -0.70 -4.96 115.64 109.80 1n6f s THR 439 Ca 0.54 -0.22 -0.31 0.00 0.31 0.00 0.00 61.69 62.00 1n6f s THR 439 Cb -0.11 -0.85 -0.08 0.00 0.01 0.00 0.00 72.50 71.47 1n6f s THR 439 CO 0.53 -0.26 1.41 -0.69 -0.69 0.00 0.00 174.62 174.92 1n6f s VAL 440 N 2.44 3.17 -0.21 3.82 1.01 -1.26 -1.20 120.40 128.16 1n6f s VAL 440 Ca 0.10 0.85 -0.16 0.00 0.00 0.00 0.00 61.98 62.77 1n6f s VAL 440 Cb -0.15 -3.55 -0.12 0.00 0.00 0.00 0.00 36.38 32.57 1n6f s VAL 440 CO -0.21 0.07 -0.12 -0.38 0.00 0.00 0.00 175.10 174.46 1n6f n ILE 441 N 3.78 1.50 -3.60 2.22 5.41 0.11 -4.96 119.36 123.83 1n6f n ILE 441 Ca 0.11 -0.05 -0.14 0.00 1.00 0.00 0.00 62.75 63.67 1n6f n ILE 441 Cb 0.42 -2.12 -0.06 0.00 -0.71 0.00 0.00 39.64 37.18 1n6f n ILE 441 CO 0.00 0.00 0.00 -0.70 0.00 0.00 0.00 176.55 175.85 1n6f s GLU 442 N -2.47 1.01 -0.07 0.38 2.12 -1.16 -5.02 118.70 113.49 1n6f s GLU 442 Ca -0.29 -0.27 0.02 0.00 0.36 0.00 0.00 54.97 54.79 1n6f s GLU 442 Cb 0.07 0.46 0.01 0.00 0.26 0.00 0.00 34.13 34.94 1n6f s GLU 442 CO 0.46 -0.36 -0.12 0.50 -0.54 0.00 0.00 175.26 175.20 1n6f s ARG 443 N -2.46 1.72 0.39 4.30 3.52 -1.26 -1.63 118.95 123.52 1n6f s ARG 443 Ca -0.05 -0.41 -0.07 0.00 -0.13 0.00 0.00 55.73 55.07 1n6f s ARG 443 Cb -0.01 -1.46 -0.05 0.00 -1.56 0.00 0.00 34.95 31.87 1n6f s ARG 443 CO -0.02 -0.01 0.70 0.45 -0.81 0.00 0.00 175.30 175.60 1n6f s SER 444 N 0.81 6.42 0.00 -2.12 0.15 0.19 -5.00 113.70 114.15 1n6f s SER 444 Ca -0.12 0.91 0.08 0.00 0.70 0.00 0.00 55.95 57.52 1n6f s SER 444 Cb -0.15 -2.23 0.17 0.00 -1.71 0.00 0.00 66.02 62.10 1n6f s SER 444 CO 0.02 -0.38 1.06 -2.11 1.20 0.00 0.00 173.24 173.03 1n6f n ARG 445 N -1.46 2.13 -0.06 5.44 1.85 -1.26 -4.67 116.66 118.63 1n6f n ARG 445 Ca 0.00 -1.63 -0.11 0.00 -1.00 0.00 0.00 57.85 55.11 1n6f n ARG 445 Cb 0.54 -1.18 -0.04 0.00 -1.05 0.00 0.00 32.46 30.73 1n6f n ARG 445 CO 0.00 0.00 0.00 0.39 -0.01 0.00 0.00 177.63 178.01 1n6f n GLU 446 N 0.28 0.24 -3.07 2.89 -0.58 -1.26 -5.10 120.64 114.04 1n6f n GLU 446 Ca 0.07 0.09 -0.08 0.00 -0.42 0.00 0.00 57.16 56.82 1n6f n GLU 446 Cb 0.32 -0.98 -0.00 0.00 -0.57 0.00 0.00 31.44 30.22 1n6f n GLU 446 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1n6f n ALA 447 N -3.33 -0.70 -1.83 0.62 0.00 -1.26 -5.09 120.51 108.93 1n6f n ALA 447 Ca -0.21 -1.00 -0.33 0.00 0.00 0.00 0.00 53.44 51.90 1n6f n ALA 447 Cb 0.67 0.80 -0.05 0.00 0.00 0.00 0.00 19.45 20.87 1n6f n ALA 447 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 1n6f s MET 448 N -2.32 4.04 -1.08 0.00 -1.94 -1.26 -4.63 119.30 112.10 1n6f s MET 448 Ca 0.16 1.05 -0.05 0.00 -1.71 0.00 0.00 55.69 55.13 1n6f s MET 448 Cb -0.02 -2.15 0.30 0.00 2.01 0.00 0.00 34.83 34.97 1n6f s MET 448 CO 0.11 -0.20 1.33 -0.89 -0.01 0.00 0.00 175.02 175.36 1n6f n ILE 449 N -1.19 4.96 0.86 2.53 5.41 -1.26 -4.74 119.36 125.92 1n6f n ILE 449 Ca 0.07 -5.72 0.11 0.00 1.00 0.00 0.00 62.75 58.21 1n6f n ILE 449 Cb 0.54 -2.25 0.05 0.00 -0.71 0.00 0.00 39.64 37.26 1n6f n ILE 449 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 176.55 176.90 1n6f n THR 450 N 1.77 0.05 -3.41 1.39 -2.24 -1.26 -4.63 114.28 105.95 1n6f n THR 450 Ca 0.25 -0.08 -0.45 0.00 -2.27 0.00 0.00 64.05 61.51 1n6f n THR 450 Cb 0.35 0.50 -0.04 0.00 -2.10 0.00 0.00 70.33 69.04 1n6f n THR 450 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1n6f s ASP 451 N -3.29 6.36 0.17 3.42 3.68 -1.26 -4.93 116.67 120.81 1n6f s ASP 451 Ca 0.07 -2.55 -0.02 0.00 2.13 0.00 0.00 52.55 52.19 1n6f s ASP 451 Cb 0.16 -2.14 -0.04 0.00 -1.45 0.00 0.00 42.92 39.46 1n6f s ASP 451 CO 0.79 -0.58 0.12 0.72 0.13 0.00 0.00 175.17 176.35 1n6f s PHE 452 N 0.39 0.95 -0.01 -5.34 -0.71 -1.26 -0.86 117.98 111.14 1n6f s PHE 452 Ca 0.15 -1.26 -0.21 0.00 -1.04 0.00 0.00 56.93 54.57 1n6f s PHE 452 Cb -0.16 -0.47 0.04 0.00 -1.21 0.00 0.00 43.02 41.23 1n6f s PHE 452 CO -0.06 -0.60 0.46 -0.08 -1.34 0.00 0.00 175.22 173.60 1n6f s THR 453 N -4.09 0.04 -0.13 -4.49 -1.32 -0.14 -4.98 115.64 100.52 1n6f s THR 453 Ca 0.30 -0.30 -0.02 0.00 -1.21 0.00 0.00 61.69 60.46 1n6f s THR 453 Cb 0.07 -0.81 -0.02 0.00 -1.51 0.00 0.00 72.50 70.23 1n6f s THR 453 CO 0.07 -0.17 -0.07 -0.63 -2.21 0.00 0.00 174.62 171.61 1n6f s ILE 454 N -1.50 3.62 0.70 5.08 1.01 -1.26 -1.30 121.20 127.55 1n6f s ILE 454 Ca -0.11 -0.47 -0.16 0.00 0.00 0.00 0.00 60.65 59.91 1n6f s ILE 454 Cb -0.03 -2.55 0.02 0.00 0.01 0.00 0.00 42.46 39.92 1n6f s ILE 454 CO 0.05 0.52 1.24 -0.94 0.00 0.00 0.00 174.94 175.81 1n6f s SER 455 N 0.11 4.35 0.59 3.58 1.04 -0.49 -4.87 113.70 118.01 1n6f s SER 455 Ca -0.03 2.46 0.30 0.00 0.48 0.00 0.00 55.95 59.17 1n6f s SER 455 Cb -0.14 -2.60 1.81 0.00 0.10 0.00 0.00 66.02 65.19 1n6f s SER 455 CO 0.03 -2.16 2.25 0.44 0.98 0.00 0.00 173.24 174.78 1n6f h ASP 456 N 0.05 0.00 -0.37 7.02 3.45 -1.83 0.58 116.42 125.31 1n6f h ASP 456 Ca -0.49 0.00 0.00 0.00 0.43 0.00 0.00 57.03 56.97 1n6f h ASP 456 Cb 1.31 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 40.08 1n6f h ASP 456 CO 0.51 0.01 0.00 -0.46 -1.57 0.00 0.00 179.24 177.73 1n6f n ASN 457 N -3.81 2.92 -1.91 6.45 0.23 -1.26 -4.77 115.26 113.11 1n6f n ASN 457 Ca -0.03 -2.25 -0.13 0.00 -0.53 0.00 0.00 54.58 51.64 1n6f n ASN 457 Cb 0.09 -0.43 -0.03 0.00 -2.08 0.00 0.00 39.78 37.33 1n6f n ASN 457 CO 0.00 0.00 0.00 -1.20 -0.93 0.00 0.00 177.26 175.13 1n6f n SER 458 N 0.55 -3.74 -0.09 0.53 7.64 0.19 -4.83 113.62 113.87 1n6f n SER 458 Ca 0.15 0.25 -0.08 0.00 1.01 0.00 0.00 58.87 60.19 1n6f n SER 458 Cb 0.56 -3.33 -0.15 0.00 -1.01 0.00 0.00 64.21 60.28 1n6f n SER 458 CO 0.00 0.00 0.00 -1.14 -3.01 0.00 0.00 175.04 170.89 1n6f n ARG 459 N -2.34 0.83 -4.40 1.43 0.63 -1.26 -4.85 116.66 106.69 1n6f n ARG 459 Ca -0.14 -0.02 -0.29 0.00 -0.92 0.00 0.00 57.85 56.48 1n6f n ARG 459 Cb 0.52 -1.50 -0.13 0.00 0.45 0.00 0.00 32.46 31.81 1n6f n ARG 459 CO 0.00 0.00 0.00 -0.06 -2.51 0.00 0.00 177.63 175.06 1n6f s PHE 460 N -2.53 2.35 -0.22 -0.14 0.40 -1.26 -0.23 117.98 116.36 1n6f s PHE 460 Ca -0.09 -0.36 -0.01 0.00 -0.60 0.00 0.00 56.93 55.87 1n6f s PHE 460 Cb 0.06 -1.28 0.06 0.00 0.51 0.00 0.00 43.02 42.38 1n6f s PHE 460 CO 0.80 0.34 -0.01 0.42 0.70 0.00 0.00 175.22 177.46 1n6f s ILE 461 N -1.06 1.07 -0.06 0.64 1.01 0.20 -1.40 121.20 121.60 1n6f s ILE 461 Ca 0.15 -0.92 -0.04 0.00 0.00 0.00 0.00 60.65 59.83 1n6f s ILE 461 Cb -0.10 -1.45 -0.04 0.00 0.01 0.00 0.00 42.46 40.88 1n6f s ILE 461 CO 0.06 -0.16 0.15 0.00 0.00 0.00 0.00 174.94 175.00 1n6f s ALA 462 N 1.61 3.87 0.03 9.38 0.00 -0.42 -0.60 121.76 135.62 1n6f s ALA 462 Ca -0.04 -0.72 -0.27 0.00 0.00 0.00 0.00 51.96 50.93 1n6f s ALA 462 Cb -0.18 -1.88 0.08 0.00 0.00 0.00 0.00 23.12 21.14 1n6f s ALA 462 CO -0.07 0.68 0.71 1.52 0.00 0.00 0.00 175.76 178.60 1n6f s TYR 463 N -1.17 -0.54 -0.08 0.00 -0.85 -0.26 -0.97 117.35 113.48 1n6f s TYR 463 Ca 0.21 0.63 -0.30 0.00 -0.52 0.00 0.00 57.07 57.10 1n6f s TYR 463 Cb -0.12 0.49 -0.02 0.00 0.38 0.00 0.00 41.96 42.69 1n6f s TYR 463 CO 0.11 -0.67 1.05 0.20 -1.52 0.00 0.00 175.55 174.72 1n6f s GLY 464 N -1.98 2.35 -0.38 5.49 0.00 -0.04 -0.43 107.32 112.35 1n6f s GLY 464 Ca -0.03 0.45 -0.04 0.00 0.00 0.00 0.00 44.72 45.09 1n6f s GLY 464 CO -0.03 1.96 0.15 -0.12 0.00 0.00 0.00 173.10 175.07 1n6f s PHE 465 N 1.95 3.41 0.27 1.90 2.19 1.00 -4.72 117.98 123.97 1n6f s PHE 465 Ca 0.50 -1.96 -0.30 0.00 0.33 0.00 0.00 56.93 55.51 1n6f s PHE 465 Cb -0.20 -2.77 -0.10 0.00 -1.31 0.00 0.00 43.02 38.64 1n6f s PHE 465 CO 0.20 -0.87 1.36 -1.25 1.83 0.00 0.00 175.22 176.48 1n6f s PRO 466 N 1.27 4.33 0.16 10.12 0.04 -1.26 -2.23 135.00 147.42 1n6f s PRO 466 Ca 0.02 2.21 -0.14 0.00 0.04 0.00 0.00 61.00 63.13 1n6f s PRO 466 Cb -0.22 -3.11 0.02 0.00 0.04 0.00 0.00 34.50 31.23 1n6f s PRO 466 CO -0.01 -0.29 0.41 -0.48 0.04 0.00 0.00 177.00 176.66 1n6f s LEU 467 N -0.87 0.48 -0.00 -3.56 0.05 0.16 -4.49 118.68 110.44 1n6f s LEU 467 Ca 0.55 -0.54 0.01 0.00 0.05 0.00 0.00 54.13 54.19 1n6f s LEU 467 Cb -0.40 1.75 -0.00 0.00 -2.05 0.00 0.00 46.19 45.49 1n6f s LEU 467 CO 0.46 -0.93 -0.02 -0.54 -0.55 0.00 0.00 176.35 174.76 1n6f s LYS 468 N -3.88 0.17 0.09 1.48 1.02 -1.26 -0.16 119.74 117.21 1n6f s LYS 468 Ca 0.09 -0.09 -0.16 0.00 0.02 0.00 0.00 55.97 55.83 1n6f s LYS 468 Cb 0.01 -0.16 -0.07 0.00 -0.52 0.00 0.00 37.83 37.09 1n6f s LYS 468 CO -0.05 0.04 1.47 0.45 -0.92 0.00 0.00 175.35 176.34 1n6f h HIS 469 N 6.06 0.67 -2.67 3.18 3.86 -1.94 -3.45 115.15 120.86 1n6f h HIS 469 Ca -0.26 -0.16 -0.63 0.00 -1.16 0.00 0.00 60.37 58.17 1n6f h HIS 469 Cb 1.20 -0.16 -0.16 0.00 1.06 0.00 0.00 27.41 29.35 1n6f h HIS 469 CO 0.42 0.81 -0.79 0.20 0.86 0.00 0.00 177.93 179.43 1n6f s GLY 470 N -3.41 1.80 0.23 2.45 0.00 -1.26 -5.04 107.32 102.10 1n6f s GLY 470 Ca -0.13 -1.76 -0.08 0.00 0.00 0.00 0.00 44.72 42.75 1n6f s GLY 470 CO 0.79 -1.82 1.90 -2.09 0.00 0.00 0.00 173.10 171.87 1n6f h GLU 471 N 2.70 1.13 -0.91 2.90 4.81 -2.03 -2.71 114.58 120.47 1n6f h GLU 471 Ca -0.43 -0.07 -0.47 0.00 -0.13 0.00 0.00 59.36 58.26 1n6f h GLU 471 Cb 1.24 -0.25 -0.28 0.00 0.63 0.00 0.00 28.75 30.08 1n6f h GLU 471 CO 0.54 0.75 0.56 0.25 -0.73 0.00 0.00 179.01 180.38 1n6f n THR 472 N -4.49 3.12 -2.15 0.32 -2.24 -1.26 -5.00 114.28 102.57 1n6f n THR 472 Ca 0.10 -2.05 -0.39 0.00 -2.27 0.00 0.00 64.05 59.44 1n6f n THR 472 Cb 0.04 -0.45 -0.01 0.00 -2.10 0.00 0.00 70.33 67.81 1n6f n THR 472 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1n6f s ASP 473 N -1.48 6.51 0.35 3.42 -1.08 -1.02 -4.96 116.67 118.41 1n6f s ASP 473 Ca 0.55 2.56 0.19 0.00 -0.52 0.00 0.00 52.55 55.33 1n6f s ASP 473 Cb 0.47 -2.63 0.25 0.00 -1.46 0.00 0.00 42.92 39.55 1n6f s ASP 473 CO 0.09 -0.70 1.54 1.23 0.52 0.00 0.00 175.17 177.85 1n6f h GLY 474 N 2.88 0.00 -3.91 2.66 0.00 -1.94 -3.46 103.07 99.29 1n6f h GLY 474 Ca -0.49 0.00 -0.58 0.00 0.00 0.00 0.00 47.33 46.26 1n6f h GLY 474 CO 0.63 0.00 -0.83 -0.19 0.00 0.00 0.00 176.54 176.16 1n6f s TYR 475 N -3.12 1.93 -0.27 5.60 1.51 -1.26 -5.12 117.35 116.63 1n6f s TYR 475 Ca 0.04 -0.42 -0.07 0.00 -1.01 0.00 0.00 57.07 55.62 1n6f s TYR 475 Cb 0.07 -1.03 -0.01 0.00 -0.11 0.00 0.00 41.96 40.88 1n6f s TYR 475 CO 0.71 0.27 0.06 0.08 -1.11 0.00 0.00 175.55 175.57 1n6f s VAL 476 N -1.33 4.09 0.65 0.71 1.01 -1.26 -4.80 120.40 119.47 1n6f s VAL 476 Ca 0.10 -0.41 -0.05 0.00 0.00 0.00 0.00 61.98 61.62 1n6f s VAL 476 Cb -0.09 -2.99 0.04 0.00 0.00 0.00 0.00 36.38 33.34 1n6f s VAL 476 CO 0.05 0.24 0.95 -0.04 0.00 0.00 0.00 175.10 176.30 1n6f s MET 477 N 1.56 2.45 -0.07 2.72 -1.94 0.77 -4.86 119.30 119.92 1n6f s MET 477 Ca 0.05 -0.26 -0.03 0.00 -1.71 0.00 0.00 55.69 53.73 1n6f s MET 477 Cb -0.16 -2.25 0.04 0.00 2.01 0.00 0.00 34.83 34.48 1n6f s MET 477 CO 0.02 -1.01 0.16 -1.14 -0.01 0.00 0.00 175.02 173.05 1n6f s GLN 478 N -5.10 0.10 -0.01 2.03 0.74 0.09 -0.67 119.66 116.84 1n6f s GLN 478 Ca 0.58 0.42 0.07 0.00 0.05 0.00 0.00 55.36 56.48 1n6f s GLN 478 Cb -0.11 -0.18 -0.02 0.00 1.10 0.00 0.00 33.01 33.80 1n6f s GLN 478 CO 0.44 -0.19 -0.21 0.00 -0.55 0.00 0.00 175.29 174.78 1n6f s ALA 479 N 1.35 1.77 0.09 1.58 0.00 -0.95 -1.87 121.76 123.75 1n6f s ALA 479 Ca -0.07 -0.93 -0.30 0.00 0.00 0.00 0.00 51.96 50.65 1n6f s ALA 479 Cb -0.12 -0.44 -0.05 0.00 0.00 0.00 0.00 23.12 22.51 1n6f s ALA 479 CO -0.06 0.43 1.00 0.42 0.00 0.00 0.00 175.76 177.55 1n6f s ILE 480 N -0.53 4.45 0.12 0.00 -1.09 -1.26 -0.00 121.20 122.89 1n6f s ILE 480 Ca 0.08 1.96 0.09 0.00 -2.23 0.00 0.00 60.65 60.55 1n6f s ILE 480 Cb -0.08 -4.25 -0.04 0.00 -1.58 0.00 0.00 42.46 36.51 1n6f s ILE 480 CO -0.01 0.26 -0.19 -1.00 -1.23 0.00 0.00 174.94 172.77 1n6f s HIS 481 N 0.25 2.49 -0.14 3.97 3.76 0.43 -0.60 115.29 125.46 1n6f s HIS 481 Ca 0.49 -0.28 -0.00 0.00 -0.15 0.00 0.00 55.06 55.12 1n6f s HIS 481 Cb -0.24 -1.32 0.03 0.00 1.11 0.00 0.00 32.58 32.16 1n6f s HIS 481 CO 0.30 0.39 -0.09 0.08 -0.85 0.00 0.00 174.74 174.57 1n6f s VAL 482 N -1.17 1.21 -0.17 -0.90 1.01 0.21 -1.10 120.40 119.49 1n6f s VAL 482 Ca 0.18 -0.50 -0.11 0.00 0.00 0.00 0.00 61.98 61.55 1n6f s VAL 482 Cb -0.10 -1.25 -0.05 0.00 0.00 0.00 0.00 36.38 34.98 1n6f s VAL 482 CO 0.10 0.31 0.19 -0.47 0.00 0.00 0.00 175.10 175.23 1n6f s TYR 483 N 1.62 3.47 -0.31 5.22 5.04 0.23 -0.05 117.35 132.57 1n6f s TYR 483 Ca 0.03 0.47 -0.10 0.00 -2.44 0.00 0.00 57.07 55.03 1n6f s TYR 483 Cb -0.14 -2.19 -0.02 0.00 0.35 0.00 0.00 41.96 39.97 1n6f s TYR 483 CO -0.09 0.36 0.17 0.34 -1.34 0.00 0.00 175.55 174.99 1n6f s ASP 484 N 0.11 5.66 0.45 4.32 -1.08 -0.94 -0.63 116.67 124.56 1n6f s ASP 484 Ca 0.12 -0.42 0.15 0.00 -0.52 0.00 0.00 52.55 51.89 1n6f s ASP 484 Cb -0.12 -2.03 1.07 0.00 -1.46 0.00 0.00 42.92 40.38 1n6f s ASP 484 CO 0.01 -0.17 1.98 0.24 0.52 0.00 0.00 175.17 177.76 1n6f h MET 485 N 8.37 0.35 -5.40 4.34 2.86 -0.93 -1.28 114.93 123.23 1n6f h MET 485 Ca -0.33 -0.02 -0.60 0.00 -2.06 0.00 0.00 59.70 56.69 1n6f h MET 485 Cb 1.16 -0.08 -0.11 0.00 0.06 0.00 0.00 31.60 32.63 1n6f h MET 485 CO 0.61 0.23 -0.34 -1.21 1.06 0.00 0.00 176.91 177.26 1n6f s GLU 486 N -5.35 4.21 0.00 1.72 2.02 -1.26 -3.67 118.70 116.37 1n6f s GLU 486 Ca -0.07 0.03 0.00 0.00 0.02 0.00 0.00 54.97 54.95 1n6f s GLU 486 Cb 0.20 -3.46 0.00 0.00 0.10 0.00 0.00 34.13 30.96 1n6f s GLU 486 CO 0.75 0.17 0.00 0.41 0.02 0.00 0.00 175.26 176.60 1n6f n GLY 487 N 3.63 3.01 3.90 -1.39 0.00 -1.26 -4.57 105.19 108.51 1n6f n GLY 487 Ca -0.12 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.60 1n6f n GLY 487 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1n6f n ARG 488 N -0.49 -2.25 -4.34 1.61 1.74 -0.48 -4.98 116.66 107.46 1n6f n ARG 488 Ca 0.00 0.37 -0.21 0.00 -0.77 0.00 0.00 57.85 57.24 1n6f n ARG 488 Cb 0.00 -4.16 -0.13 0.00 -1.02 0.00 0.00 32.46 27.15 1n6f n ARG 488 CO 0.00 0.00 0.00 -1.59 -1.52 0.00 0.00 177.63 174.52 1n6f s LYS 489 N -6.51 0.98 -0.16 5.56 -2.85 -1.22 -4.95 119.74 110.59 1n6f s LYS 489 Ca 0.19 -0.86 -0.16 0.00 -1.00 0.00 0.00 55.97 54.14 1n6f s LYS 489 Cb -0.08 -1.03 -0.04 0.00 -2.06 0.00 0.00 37.83 34.62 1n6f s LYS 489 CO 0.89 0.25 0.40 0.42 0.10 0.00 0.00 175.35 177.41 1n6f s ILE 490 N -0.97 5.23 0.17 3.79 1.01 -1.26 -2.20 121.20 126.96 1n6f s ILE 490 Ca 0.02 0.75 0.08 0.00 0.00 0.00 0.00 60.65 61.51 1n6f s ILE 490 Cb -0.09 -3.73 -0.04 0.00 0.01 0.00 0.00 42.46 38.61 1n6f s ILE 490 CO 0.02 0.32 -0.09 -0.36 0.00 0.00 0.00 174.94 174.82 1n6f s PHE 491 N 0.83 2.66 -0.33 3.97 0.40 0.93 -4.94 117.98 121.50 1n6f s PHE 491 Ca 0.21 -0.21 -0.19 0.00 -0.60 0.00 0.00 56.93 56.14 1n6f s PHE 491 Cb -0.14 -1.32 -0.01 0.00 0.51 0.00 0.00 43.02 42.06 1n6f s PHE 491 CO 0.07 0.49 0.57 0.00 0.70 0.00 0.00 175.22 177.06 1n6f s ALA 492 N -1.60 3.50 0.09 5.36 0.00 -1.26 -0.62 121.76 127.23 1n6f s ALA 492 Ca 0.24 -0.82 0.01 0.00 0.00 0.00 0.00 51.96 51.39 1n6f s ALA 492 Cb -0.09 -3.06 -0.25 0.00 0.00 0.00 0.00 23.12 19.72 1n6f s ALA 492 CO 0.15 -1.14 1.20 0.00 0.00 0.00 0.00 175.76 175.97 1n6f h ALA 493 N 8.33 0.20 -2.51 0.00 0.00 -1.18 -3.33 119.26 120.76 1n6f h ALA 493 Ca -0.27 -0.90 -0.23 0.00 0.00 0.00 0.00 54.91 53.50 1n6f h ALA 493 Cb 1.12 -0.06 -0.15 0.00 0.00 0.00 0.00 17.79 18.70 1n6f h ALA 493 CO 0.79 1.09 -0.63 0.95 0.00 0.00 0.00 179.25 181.45 1n6f s THR 494 N -2.68 0.10 0.91 0.00 -4.23 -1.21 -3.53 115.64 105.01 1n6f s THR 494 Ca -0.02 -1.97 -0.14 0.00 -1.18 0.00 0.00 61.69 58.38 1n6f s THR 494 Cb 0.08 -2.36 0.15 0.00 1.34 0.00 0.00 72.50 71.71 1n6f s THR 494 CO 0.86 -0.16 1.24 0.42 -0.54 0.00 0.00 174.62 176.44 1n6f s THR 495 N -4.07 1.98 -0.67 3.99 -4.23 -1.26 -4.61 115.64 106.77 1n6f s THR 495 Ca 0.34 0.00 0.02 0.00 -1.18 0.00 0.00 61.69 60.87 1n6f s THR 495 Cb 0.07 -2.95 0.38 0.00 1.34 0.00 0.00 72.50 71.34 1n6f s THR 495 CO 0.09 0.00 1.52 -1.84 -0.54 0.00 0.00 174.62 173.84 1n6f n GLU 496 N -3.64 3.34 0.00 3.99 0.28 -1.26 -4.62 120.64 118.73 1n6f n GLU 496 Ca 0.11 -4.18 0.05 0.00 -0.16 0.00 0.00 57.16 52.98 1n6f n GLU 496 Cb 0.60 -2.28 0.00 0.00 1.43 0.00 0.00 31.44 31.19 1n6f n GLU 496 CO 0.00 0.00 0.00 0.09 -0.16 0.00 0.00 177.13 177.06 1n6f n ASN 497 N -0.44 1.19 0.00 -1.84 4.13 -1.26 -4.88 115.26 112.16 1n6f n ASN 497 Ca 0.45 -1.09 0.00 0.00 1.68 0.00 0.00 54.58 55.61 1n6f n ASN 497 Cb 0.43 0.45 0.00 0.00 -1.54 0.00 0.00 39.78 39.12 1n6f n ASN 497 CO 0.00 0.00 0.00 -1.54 0.28 0.00 0.00 177.26 176.00 1n6f n SER 498 N -0.24 1.95 -3.89 6.41 3.41 -1.26 -5.03 113.62 114.97 1n6f n SER 498 Ca 0.04 0.00 -0.30 0.00 -0.26 0.00 0.00 58.87 58.35 1n6f n SER 498 Cb 0.20 0.00 -0.16 0.00 -0.26 0.00 0.00 64.21 63.99 1n6f n SER 498 CO 0.00 0.00 0.00 -2.28 -0.16 0.00 0.00 175.04 172.60 1n6f s HIS 499 N 1.33 2.02 -0.09 7.33 2.46 -1.26 -0.73 115.29 126.35 1n6f s HIS 499 Ca 0.00 -1.50 0.01 0.00 0.47 0.00 0.00 55.06 54.04 1n6f s HIS 499 Cb 0.00 -1.43 -0.02 0.00 -0.13 0.00 0.00 32.58 31.00 1n6f s HIS 499 CO 0.00 -0.73 -0.12 -0.51 -2.47 0.00 0.00 174.74 170.92 1n6f s ASP 500 N 1.52 4.18 0.14 9.88 -0.00 -0.78 -1.98 116.67 129.64 1n6f s ASP 500 Ca -0.04 -0.21 -0.04 0.00 -0.00 0.00 0.00 52.55 52.26 1n6f s ASP 500 Cb -0.18 -1.23 0.02 0.00 -0.00 0.00 0.00 42.92 41.52 1n6f s ASP 500 CO -0.07 0.27 0.26 0.00 -0.00 0.00 0.00 175.17 175.64 1n6f n TYR 501 N 2.80 -1.30 -3.93 4.23 0.18 -0.37 -4.53 117.16 114.24 1n6f n TYR 501 Ca -0.18 -0.74 -0.27 0.00 1.88 0.00 0.00 57.90 58.59 1n6f n TYR 501 Cb 0.52 0.30 0.00 0.00 -0.38 0.00 0.00 39.34 39.79 1n6f n TYR 501 CO 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 176.86 174.78 1n6f n ALA 502 N -2.12 -1.75 -1.67 -3.48 0.00 -1.26 -0.69 120.51 109.55 1n6f n ALA 502 Ca -0.06 -0.11 -0.36 0.00 0.00 0.00 0.00 53.44 52.92 1n6f n ALA 502 Cb 0.22 -2.52 0.05 0.00 0.00 0.00 0.00 19.45 17.20 1n6f n ALA 502 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1n6f s PRO 503 N -6.49 2.75 -0.27 0.00 0.04 -1.26 -4.20 135.00 125.57 1n6f s PRO 503 Ca 0.25 1.83 -0.19 0.00 0.04 0.00 0.00 61.00 62.93 1n6f s PRO 503 Cb -0.13 -1.90 0.07 0.00 0.04 0.00 0.00 34.50 32.58 1n6f s PRO 503 CO 0.86 -1.38 0.68 0.00 0.04 0.00 0.00 177.00 177.21 1n6f s ALA 504 N -1.67 -1.78 0.28 8.56 0.00 0.11 -4.70 121.76 122.56 1n6f s ALA 504 Ca 0.77 2.19 -0.00 0.00 0.00 0.00 0.00 51.96 54.92 1n6f s ALA 504 Cb -0.31 -1.28 -0.04 0.00 0.00 0.00 0.00 23.12 21.49 1n6f s ALA 504 CO 0.37 -0.35 0.47 -0.06 0.00 0.00 0.00 175.76 176.19 1n6f s PHE 505 N 1.08 3.49 0.45 0.00 0.40 -1.26 0.32 117.98 122.45 1n6f s PHE 505 Ca -0.06 0.34 -0.02 0.00 -0.60 0.00 0.00 56.93 56.60 1n6f s PHE 505 Cb -0.05 -1.87 -0.02 0.00 0.51 0.00 0.00 43.02 41.60 1n6f s PHE 505 CO -0.11 0.25 0.70 0.16 0.70 0.00 0.00 175.22 176.92 1n6f s ASP 506 N -3.63 6.01 0.18 1.36 3.84 -1.12 -4.77 116.67 118.54 1n6f s ASP 506 Ca 0.39 0.52 -0.23 0.00 -0.00 0.00 0.00 52.55 53.23 1n6f s ASP 506 Cb -0.10 -1.83 0.09 0.00 -1.38 0.00 0.00 42.92 39.70 1n6f s ASP 506 CO 0.32 -0.62 1.57 0.00 -0.00 0.00 0.00 175.17 176.44 1n6f h ALA 507 N 0.37 -0.16 0.00 2.11 0.00 -1.94 0.12 119.26 119.76 1n6f h ALA 507 Ca -0.47 0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.59 1n6f h ALA 507 Cb 1.23 0.92 0.00 0.00 0.00 0.00 0.00 17.79 19.94 1n6f h ALA 507 CO 0.60 -0.75 0.00 -0.25 0.00 0.00 0.00 179.25 178.85 1n6f n ASP 508 N -5.42 0.24 -2.83 0.00 10.43 -1.26 -4.66 116.55 113.05 1n6f n ASP 508 Ca 0.04 0.58 -0.16 0.00 2.57 0.00 0.00 54.79 57.82 1n6f n ASP 508 Cb 0.36 -0.62 0.06 0.00 1.84 0.00 0.00 41.12 42.76 1n6f n ASP 508 CO 0.00 0.00 0.00 -1.20 -1.07 0.00 0.00 177.20 174.93 1n6f n SER 509 N -1.79 -4.16 -0.00 -2.24 7.64 0.43 -4.94 113.62 108.56 1n6f n SER 509 Ca 0.01 -0.43 0.04 0.00 1.01 0.00 0.00 58.87 59.51 1n6f n SER 509 Cb 0.11 -3.94 -0.06 0.00 -1.01 0.00 0.00 64.21 59.32 1n6f n SER 509 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 1n6f n LYS 510 N -3.71 2.27 -4.01 1.43 5.02 -1.26 -4.93 118.16 112.97 1n6f n LYS 510 Ca -0.07 -0.04 -0.10 0.00 -2.02 0.00 0.00 58.31 56.08 1n6f n LYS 510 Cb 0.57 -1.04 -0.11 0.00 -0.02 0.00 0.00 35.03 34.43 1n6f n LYS 510 CO 0.00 0.00 0.00 -0.80 -0.52 0.00 0.00 177.40 176.08 1n6f s ASN 511 N -2.38 0.40 -0.26 4.39 -0.87 -1.26 -0.49 114.94 114.48 1n6f s ASN 511 Ca 0.00 -0.58 -0.01 0.00 -1.57 0.00 0.00 52.86 50.70 1n6f s ASN 511 Cb 0.06 0.10 0.03 0.00 -0.02 0.00 0.00 41.25 41.42 1n6f s ASN 511 CO 0.35 -0.32 -0.06 -0.22 -2.57 0.00 0.00 177.10 174.27 1n6f s LEU 512 N -1.68 3.30 0.26 0.60 2.96 0.16 -2.78 118.68 121.48 1n6f s LEU 512 Ca -0.12 -1.01 -0.01 0.00 -0.22 0.00 0.00 54.13 52.78 1n6f s LEU 512 Cb -0.08 -1.65 -0.04 0.00 0.50 0.00 0.00 46.19 44.93 1n6f s LEU 512 CO -0.02 -0.15 0.46 -0.31 -1.32 0.00 0.00 176.35 175.00 1n6f s TYR 513 N 1.28 3.48 0.25 5.38 1.51 0.15 -0.93 117.35 128.48 1n6f s TYR 513 Ca -0.02 0.37 -0.20 0.00 -1.01 0.00 0.00 57.07 56.21 1n6f s TYR 513 Cb -0.17 -1.89 0.07 0.00 -0.11 0.00 0.00 41.96 39.85 1n6f s TYR 513 CO -0.04 0.28 0.94 1.52 -1.11 0.00 0.00 175.55 177.14 1n6f s TYR 514 N -2.03 0.07 0.35 2.71 -0.85 -0.36 0.08 117.35 117.32 1n6f s TYR 514 Ca 0.39 -0.55 0.09 0.00 -0.52 0.00 0.00 57.07 56.48 1n6f s TYR 514 Cb -0.10 0.74 -0.07 0.00 0.38 0.00 0.00 41.96 42.91 1n6f s TYR 514 CO 0.31 -1.14 -0.07 -0.51 -1.52 0.00 0.00 175.55 172.62 1n6f s LEU 515 N -3.25 2.71 -0.16 -3.49 1.43 0.14 -1.07 118.68 115.00 1n6f s LEU 515 Ca 0.19 -1.23 -0.30 0.00 -1.03 0.00 0.00 54.13 51.76 1n6f s LEU 515 Cb -0.03 -0.92 0.12 0.00 0.03 0.00 0.00 46.19 45.38 1n6f s LEU 515 CO 0.07 -0.27 0.95 -0.94 0.23 0.00 0.00 176.35 176.39 1n6f s SER 516 N -3.60 -0.43 -1.22 2.29 1.04 -0.99 -1.23 113.70 109.56 1n6f s SER 516 Ca 0.33 0.51 -0.04 0.00 0.48 0.00 0.00 55.95 57.23 1n6f s SER 516 Cb 0.04 0.41 0.20 0.00 0.10 0.00 0.00 66.02 66.77 1n6f s SER 516 CO 0.16 -0.36 2.14 -1.22 0.98 0.00 0.00 173.24 174.94 1n6f n TYR 517 N 0.93 2.66 0.17 5.02 4.01 -0.84 -1.46 117.16 127.65 1n6f n TYR 517 Ca -0.12 -2.73 0.05 0.00 -0.16 0.00 0.00 57.90 54.95 1n6f n TYR 517 Cb 0.58 -1.61 -0.08 0.00 -0.31 0.00 0.00 39.34 37.92 1n6f n TYR 517 CO 0.00 0.00 0.00 0.54 -0.46 0.00 0.00 176.86 176.94 1n6f n ARG 518 N 1.23 1.35 -1.84 -0.72 1.74 -1.12 -4.66 116.66 112.64 1n6f n ARG 518 Ca 0.55 -0.07 -0.42 0.00 -0.77 0.00 0.00 57.85 57.14 1n6f n ARG 518 Cb 0.26 -1.18 -0.01 0.00 -1.02 0.00 0.00 32.46 30.51 1n6f n ARG 518 CO 0.00 0.00 0.00 0.43 -1.52 0.00 0.00 177.63 176.54 1n6f n SER 519 N -1.68 3.87 -4.71 0.55 7.64 -0.88 -4.94 113.62 113.48 1n6f n SER 519 Ca -0.01 -2.83 -0.42 0.00 1.01 0.00 0.00 58.87 56.63 1n6f n SER 519 Cb 0.25 -1.60 -0.03 0.00 -1.01 0.00 0.00 64.21 61.82 1n6f n SER 519 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1n6f s LEU 520 N 2.90 4.37 -0.29 -3.43 1.43 -1.26 -4.30 118.68 118.10 1n6f s LEU 520 Ca 0.51 2.66 -0.13 0.00 -1.03 0.00 0.00 54.13 56.14 1n6f s LEU 520 Cb 0.11 -3.59 0.12 0.00 0.03 0.00 0.00 46.19 42.87 1n6f s LEU 520 CO -0.01 -0.89 0.72 -0.62 0.23 0.00 0.00 176.35 175.78 1n6f s ASP 521 N 1.55 -0.99 0.34 2.29 3.68 -1.26 -5.09 116.67 117.20 1n6f s ASP 521 Ca 0.73 1.42 -0.26 0.00 2.13 0.00 0.00 52.55 56.57 1n6f s ASP 521 Cb -0.44 1.92 -0.10 0.00 -1.45 0.00 0.00 42.92 42.85 1n6f s ASP 521 CO 0.32 -0.21 0.97 -2.16 0.13 0.00 0.00 175.17 174.23 1n6f s PRO 522 N 2.42 4.49 -0.09 4.34 0.04 -1.26 -4.45 135.00 140.48 1n6f s PRO 522 Ca -0.07 1.38 0.01 0.00 0.04 0.00 0.00 61.00 62.36 1n6f s PRO 522 Cb -0.09 -2.74 -0.02 0.00 0.04 0.00 0.00 34.50 31.69 1n6f s PRO 522 CO -0.19 0.18 -0.11 -1.12 0.04 0.00 0.00 177.00 175.80 1n6f s SER 523 N -1.60 4.27 0.34 6.66 0.01 -0.01 -4.91 113.70 118.47 1n6f s SER 523 Ca 0.52 -0.18 -0.27 0.00 1.31 0.00 0.00 55.95 57.33 1n6f s SER 523 Cb -0.19 -1.23 -0.09 0.00 0.21 0.00 0.00 66.02 64.71 1n6f s SER 523 CO 0.25 0.28 1.16 -2.16 0.41 0.00 0.00 173.24 173.18 1n6f s PRO 524 N -0.35 4.33 -0.08 12.44 0.04 -1.26 -2.14 135.00 147.98 1n6f s PRO 524 Ca 0.04 1.87 -0.25 0.00 0.04 0.00 0.00 61.00 62.69 1n6f s PRO 524 Cb -0.12 -2.92 -0.03 0.00 0.04 0.00 0.00 34.50 31.47 1n6f s PRO 524 CO 0.02 -0.09 0.80 0.34 0.04 0.00 0.00 177.00 178.11 1n6f s ASP 525 N -0.96 7.06 0.00 6.66 3.68 -0.49 -4.95 116.67 127.68 1n6f s ASP 525 Ca 0.51 1.29 0.26 0.00 2.13 0.00 0.00 52.55 56.74 1n6f s ASP 525 Cb -0.32 -2.46 1.29 0.00 -1.45 0.00 0.00 42.92 39.98 1n6f s ASP 525 CO 0.41 -0.23 1.86 0.54 0.13 0.00 0.00 175.17 177.88 1n6f n ARG 526 N 4.24 0.35 0.00 4.34 5.12 -1.26 -4.26 116.66 125.19 1n6f n ARG 526 Ca 0.02 0.04 -0.01 0.00 -1.93 0.00 0.00 57.85 55.97 1n6f n ARG 526 Cb 0.50 -1.50 -0.00 0.00 -1.16 0.00 0.00 32.46 30.30 1n6f n ARG 526 CO 0.00 0.00 0.00 0.28 -1.93 0.00 0.00 177.63 175.98 1n6f n VAL 527 N -1.29 0.38 -4.01 1.55 0.31 -1.26 -5.07 118.33 108.94 1n6f n VAL 527 Ca 0.12 0.08 -0.31 0.00 -0.01 0.00 0.00 64.34 64.22 1n6f n VAL 527 Cb 0.21 -1.55 -0.06 0.00 -0.91 0.00 0.00 33.84 31.53 1n6f n VAL 527 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 1n6f s VAL 528 N -2.03 4.86 -0.45 2.52 1.01 -1.26 -5.02 120.40 120.03 1n6f s VAL 528 Ca -0.02 -0.57 -0.27 0.00 0.00 0.00 0.00 61.98 61.12 1n6f s VAL 528 Cb 0.01 -3.33 -0.03 0.00 0.00 0.00 0.00 36.38 33.03 1n6f s VAL 528 CO 0.03 0.17 1.98 -0.22 0.00 0.00 0.00 175.10 177.06 1n6f s LEU 529 N -2.30 3.41 -0.08 3.92 2.96 -1.26 -4.48 118.68 120.84 1n6f s LEU 529 Ca 0.30 0.99 -0.32 0.00 -0.22 0.00 0.00 54.13 54.88 1n6f s LEU 529 Cb -0.12 -2.98 0.12 0.00 0.50 0.00 0.00 46.19 43.70 1n6f s LEU 529 CO 0.22 -2.19 1.06 0.21 -1.32 0.00 0.00 176.35 174.33 1n6f s ASN 530 N 8.20 -0.24 0.03 3.68 3.04 -1.26 -4.99 114.94 123.40 1n6f s ASN 530 Ca 0.81 -0.02 -0.06 0.00 0.04 0.00 0.00 52.86 53.63 1n6f s ASN 530 Cb -0.19 0.27 -0.01 0.00 -1.54 0.00 0.00 41.25 39.78 1n6f s ASN 530 CO 0.28 -0.44 0.11 -0.36 -3.04 0.00 0.00 177.10 173.65 1n6f s PHE 531 N -2.77 0.14 0.19 0.43 0.40 -1.26 -1.39 117.98 113.72 1n6f s PHE 531 Ca 0.08 -0.38 -0.10 0.00 -0.60 0.00 0.00 56.93 55.93 1n6f s PHE 531 Cb -0.01 -0.11 -0.00 0.00 0.51 0.00 0.00 43.02 43.41 1n6f s PHE 531 CO -0.06 -0.34 0.35 -1.54 0.70 0.00 0.00 175.22 174.33 1n6f s SER 532 N -1.87 -0.02 -0.68 1.36 1.04 -0.91 -4.90 113.70 107.72 1n6f s SER 532 Ca -0.08 -0.86 -0.20 0.00 0.48 0.00 0.00 55.95 55.28 1n6f s SER 532 Cb -0.04 0.48 0.10 0.00 0.10 0.00 0.00 66.02 66.67 1n6f s SER 532 CO -0.02 -0.97 0.87 -0.36 0.98 0.00 0.00 173.24 173.74 1n6f s PHE 533 N -3.98 2.91 -0.18 5.02 0.40 -1.26 -0.83 117.98 120.06 1n6f s PHE 533 Ca 0.19 -0.90 -0.16 0.00 -0.60 0.00 0.00 56.93 55.45 1n6f s PHE 533 Cb 0.02 -4.16 -0.12 0.00 0.51 0.00 0.00 43.02 39.28 1n6f s PHE 533 CO 0.02 -1.45 0.01 0.39 0.70 0.00 0.00 175.22 174.89 1n6f n GLU 534 N 6.82 0.52 -3.48 0.44 -0.58 -1.26 -4.71 120.64 118.39 1n6f n GLU 534 Ca -0.02 0.54 -0.32 0.00 -0.42 0.00 0.00 57.16 56.94 1n6f n GLU 534 Cb 0.45 -1.71 -0.07 0.00 -0.57 0.00 0.00 31.44 29.54 1n6f n GLU 534 CO 0.00 0.00 0.00 1.33 -0.48 0.00 0.00 177.13 177.98 1n6f n VAL 535 N -4.50 2.97 -1.26 2.62 0.24 -1.26 -4.63 118.33 112.51 1n6f n VAL 535 Ca -0.22 -5.27 0.09 0.00 -2.04 0.00 0.00 64.34 56.89 1n6f n VAL 535 Cb 0.51 -2.18 0.15 0.00 -1.47 0.00 0.00 33.84 30.85 1n6f n VAL 535 CO 0.00 0.00 0.00 1.33 -2.14 0.00 0.00 176.83 176.02 1n6f n VAL 536 N 1.48 1.88 -3.61 3.34 0.24 -1.00 -3.72 118.33 116.94 1n6f n VAL 536 Ca 0.26 -2.43 -0.36 0.00 -2.04 0.00 0.00 64.34 59.77 1n6f n VAL 536 Cb 0.38 -0.20 -0.08 0.00 -1.47 0.00 0.00 33.84 32.47 1n6f n VAL 536 CO 0.00 0.00 0.00 -0.55 -2.14 0.00 0.00 176.83 174.14 1n6f s SER 537 N -2.90 6.28 -0.03 -1.34 0.15 0.42 -2.06 113.70 114.21 1n6f s SER 537 Ca 0.32 0.31 -0.04 0.00 0.70 0.00 0.00 55.95 57.24 1n6f s SER 537 Cb 0.29 -2.14 0.01 0.00 -1.71 0.00 0.00 66.02 62.47 1n6f s SER 537 CO 0.00 0.09 0.11 -0.75 1.20 0.00 0.00 173.24 173.89 1n6f s LYS 538 N 0.69 0.23 0.34 5.44 2.20 -0.53 -2.12 119.74 125.99 1n6f s LYS 538 Ca 0.12 -0.04 -0.24 0.00 -0.36 0.00 0.00 55.97 55.45 1n6f s LYS 538 Cb -0.13 0.10 -0.10 0.00 -1.51 0.00 0.00 37.83 36.20 1n6f s LYS 538 CO 0.03 -0.04 0.91 -1.25 -0.36 0.00 0.00 175.35 174.63 1n6f s PRO 539 N -0.42 4.43 0.13 4.03 0.04 -1.26 -2.35 135.00 139.60 1n6f s PRO 539 Ca -0.05 1.19 0.01 0.00 0.04 0.00 0.00 61.00 62.19 1n6f s PRO 539 Cb -0.03 -2.64 -0.04 0.00 0.04 0.00 0.00 34.50 31.82 1n6f s PRO 539 CO 0.00 0.21 -0.01 -0.06 0.04 0.00 0.00 177.00 177.19 1n6f s PHE 540 N -1.76 0.98 0.04 0.56 0.40 -0.23 -1.63 117.98 116.34 1n6f s PHE 540 Ca 0.52 -1.04 -0.02 0.00 -0.60 0.00 0.00 56.93 55.79 1n6f s PHE 540 Cb -0.16 -0.57 -0.02 0.00 0.51 0.00 0.00 43.02 42.78 1n6f s PHE 540 CO 0.20 -0.28 0.01 0.54 0.70 0.00 0.00 175.22 176.40 1n6f s VAL 541 N -3.76 0.16 -0.13 -0.44 0.11 0.57 -1.22 120.40 115.69 1n6f s VAL 541 Ca 0.19 -1.32 -0.04 0.00 -2.93 0.00 0.00 61.98 57.88 1n6f s VAL 541 Cb 0.06 -0.96 0.05 0.00 -1.53 0.00 0.00 36.38 34.00 1n6f s VAL 541 CO -0.00 -0.73 0.07 -0.63 -3.33 0.00 0.00 175.10 170.48 1n6f s ILE 542 N -2.82 -0.02 0.03 7.04 1.01 -0.10 -1.70 121.20 124.64 1n6f s ILE 542 Ca -0.03 -0.00 -0.30 0.00 0.00 0.00 0.00 60.65 60.31 1n6f s ILE 542 Cb -0.00 -0.48 -0.06 0.00 0.01 0.00 0.00 42.46 41.93 1n6f s ILE 542 CO -0.06 -0.11 1.30 -2.16 0.00 0.00 0.00 174.94 173.92 1n6f s PRO 543 N 2.12 4.35 0.20 2.79 0.04 -1.26 -0.67 135.00 142.57 1n6f s PRO 543 Ca 0.03 1.88 0.23 0.00 0.04 0.00 0.00 61.00 63.17 1n6f s PRO 543 Cb -0.15 -3.44 0.91 0.00 0.04 0.00 0.00 34.50 31.86 1n6f s PRO 543 CO -0.07 -0.43 1.69 1.28 0.04 0.00 0.00 177.00 179.51 1n6f n LEU 544 N 4.65 0.56 -4.20 -3.56 4.77 0.36 -4.43 117.00 115.16 1n6f n LEU 544 Ca 0.11 0.62 -0.35 0.00 -0.03 0.00 0.00 56.01 56.36 1n6f n LEU 544 Cb 0.45 -0.53 -0.13 0.00 -2.33 0.00 0.00 43.42 40.88 1n6f n LEU 544 CO 0.57 -0.44 -0.34 -0.63 -1.33 0.00 0.00 177.39 175.22 1n6f s ILE 545 N -3.23 3.15 0.26 -0.08 1.09 -1.26 -2.11 121.20 119.02 1n6f s ILE 545 Ca 0.06 -1.30 -0.29 0.00 -1.10 0.00 0.00 60.65 58.02 1n6f s ILE 545 Cb 0.10 -2.79 -0.14 0.00 -1.06 0.00 0.00 42.46 38.57 1n6f s ILE 545 CO 0.41 -0.10 1.08 -2.65 -0.10 0.00 0.00 174.94 173.58 1n6f n PRO 546 N 4.67 1.36 0.00 2.79 -0.02 -1.26 -1.52 135.00 141.01 1n6f n PRO 546 Ca -0.13 0.48 0.00 0.00 -2.02 0.00 0.00 63.50 61.83 1n6f n PRO 546 Cb 0.44 -1.91 0.00 0.00 -0.02 0.00 0.00 33.50 32.01 1n6f n PRO 546 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1n6f n GLY 547 N 1.50 3.25 3.72 -1.23 0.00 -1.26 -4.81 105.19 106.37 1n6f n GLY 547 Ca 0.11 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.72 1n6f n GLY 547 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1n6f s SER 548 N -1.07 7.27 0.78 1.61 0.15 -0.58 -4.77 113.70 117.10 1n6f s SER 548 Ca 0.00 1.53 -0.09 0.00 0.70 0.00 0.00 55.95 58.09 1n6f s SER 548 Cb 0.00 -2.52 0.10 0.00 -1.71 0.00 0.00 66.02 61.90 1n6f s SER 548 CO 0.00 -0.14 1.11 -2.16 1.20 0.00 0.00 173.24 173.25 1n6f s PRO 549 N 0.56 1.75 -0.20 5.44 0.04 -1.26 -4.76 135.00 136.57 1n6f s PRO 549 Ca 0.45 -0.34 -0.29 0.00 0.04 0.00 0.00 61.00 60.86 1n6f s PRO 549 Cb -0.21 -2.08 -0.03 0.00 0.04 0.00 0.00 34.50 32.22 1n6f s PRO 549 CO 0.25 -1.58 1.72 1.21 0.04 0.00 0.00 177.00 178.64 1n6f s ASN 550 N -4.64 6.25 0.21 6.66 3.84 -1.26 -4.90 114.94 121.10 1n6f s ASN 550 Ca 0.64 1.72 -0.09 0.00 0.21 0.00 0.00 52.86 55.34 1n6f s ASN 550 Cb -0.09 -2.53 0.28 0.00 -0.55 0.00 0.00 41.25 38.36 1n6f s ASN 550 CO 0.47 -1.34 1.76 1.55 -2.79 0.00 0.00 177.10 176.75 1n6f h PRO 551 N 11.32 0.46 0.00 0.43 0.13 -1.99 -0.54 132.00 141.80 1n6f h PRO 551 Ca -0.36 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 64.74 1n6f h PRO 551 Cb 1.17 -0.10 0.00 0.00 0.13 0.00 0.00 31.00 32.20 1n6f h PRO 551 CO 0.99 0.30 0.12 0.25 -0.23 0.00 0.00 178.00 179.44 1n6f n THR 552 N -4.95 0.87 0.36 1.56 -2.24 -1.26 -0.86 114.28 107.76 1n6f n THR 552 Ca 0.09 0.74 0.14 0.00 -2.27 0.00 0.00 64.05 62.75 1n6f n THR 552 Cb 0.26 -1.74 0.55 0.00 -2.10 0.00 0.00 70.33 67.30 1n6f n THR 552 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 1n6f h LYS 553 N 0.00 0.00 -5.62 -0.78 1.57 -1.47 -3.47 116.57 106.80 1n6f h LYS 553 Ca 0.00 0.00 -0.38 0.00 -1.87 0.00 0.00 60.65 58.40 1n6f h LYS 553 Cb 0.24 0.00 0.14 0.00 0.08 0.00 0.00 32.23 32.69 1n6f h LYS 553 CO 0.00 0.00 -0.66 1.28 -0.57 0.00 0.00 179.45 179.50 1n6f n LEU 554 N -2.56 -3.40 -4.63 2.94 4.77 -0.04 -4.94 117.00 109.14 1n6f n LEU 554 Ca 0.02 -0.52 -0.43 0.00 -0.03 0.00 0.00 56.01 55.04 1n6f n LEU 554 Cb 0.27 -2.94 -0.02 0.00 -2.33 0.00 0.00 43.42 38.40 1n6f n LEU 554 CO 0.23 0.61 1.06 -0.69 -1.33 0.00 0.00 177.39 177.27 1n6f s VAL 555 N -3.31 4.28 -0.14 4.08 1.01 -1.26 -4.94 120.40 120.12 1n6f s VAL 555 Ca 0.51 1.45 -0.41 0.00 0.00 0.00 0.00 61.98 63.53 1n6f s VAL 555 Cb -0.23 -4.30 -0.20 0.00 0.00 0.00 0.00 36.38 31.66 1n6f s VAL 555 CO 0.70 -0.53 1.19 -2.65 0.00 0.00 0.00 175.10 173.81 1n6f n PRO 556 N 7.21 0.00 -0.36 2.72 -0.02 -1.26 -4.83 135.00 138.45 1n6f n PRO 556 Ca 0.13 0.00 -0.00 0.00 -2.02 0.00 0.00 63.50 61.61 1n6f n PRO 556 Cb 0.47 -1.46 0.14 0.00 -0.02 0.00 0.00 33.50 32.62 1n6f n PRO 556 CO 0.00 0.00 0.00 -0.09 1.98 0.00 0.00 175.50 177.39 1n6f h ARG 557 N 3.49 1.18 0.00 -0.52 9.65 -1.93 -0.50 114.38 125.75 1n6f h ARG 557 Ca -0.48 -0.07 0.00 0.00 -1.10 0.00 0.00 59.98 58.33 1n6f h ARG 557 Cb 1.38 -0.27 0.00 0.00 -1.39 0.00 0.00 29.97 29.69 1n6f h ARG 557 CO 0.73 0.78 0.00 0.66 2.80 0.00 0.00 179.97 184.94 1n6f h SER 558 N 1.22 0.00 -0.71 -3.80 4.64 -2.03 -1.73 113.55 111.13 1n6f h SER 558 Ca 0.39 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.71 1n6f h SER 558 Cb 0.01 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.10 1n6f h SER 558 CO -0.13 0.00 0.00 0.23 -0.87 0.00 0.00 176.83 176.06 1n6f n MET 559 N -2.98 3.03 -4.27 4.77 2.81 -0.21 -4.94 117.12 115.33 1n6f n MET 559 Ca -0.02 -2.72 -0.15 0.00 -1.81 0.00 0.00 57.70 53.00 1n6f n MET 559 Cb 0.14 -1.68 -0.10 0.00 -0.71 0.00 0.00 33.22 30.87 1n6f n MET 559 CO 0.00 0.00 0.00 0.95 1.51 0.00 0.00 175.97 178.43 1n6f s THR 560 N -1.28 1.22 -0.55 2.03 -4.23 -0.65 -4.97 115.64 107.22 1n6f s THR 560 Ca 0.50 -2.08 0.05 0.00 -1.18 0.00 0.00 61.69 58.99 1n6f s THR 560 Cb 0.28 -1.95 0.19 0.00 1.34 0.00 0.00 72.50 72.36 1n6f s THR 560 CO 0.31 -0.66 0.49 -1.54 -0.54 0.00 0.00 174.62 172.67 1n6f n SER 561 N -0.26 1.49 0.00 3.99 3.41 -1.26 -4.96 113.62 116.03 1n6f n SER 561 Ca -0.09 -2.88 0.00 0.00 -0.26 0.00 0.00 58.87 55.64 1n6f n SER 561 Cb 0.61 -0.66 0.00 0.00 -0.26 0.00 0.00 64.21 63.91 1n6f n SER 561 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1n6f n GLU 562 N 2.01 0.00 -0.47 4.33 4.71 -1.26 -4.68 120.64 125.28 1n6f n GLU 562 Ca 0.25 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.40 1n6f n GLU 562 Cb 0.43 0.00 0.00 0.00 -1.01 0.00 0.00 31.44 30.86 1n6f n GLU 562 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1n6f n ALA 563 N -3.00 0.00 -1.00 0.62 0.00 -1.26 -4.92 120.51 110.95 1n6f n ALA 563 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1n6f n ALA 563 Cb 0.00 -0.93 0.00 0.00 0.00 0.00 0.00 19.45 18.52 1n6f n ALA 563 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1n6f n GLY 564 N -1.71 -3.38 3.48 0.00 0.00 -1.26 -5.05 105.19 97.26 1n6f n GLY 564 Ca 0.00 -1.12 -0.24 0.00 0.00 0.00 0.00 46.02 44.66 1n6f n GLY 564 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1n6f s GLU 565 N -2.68 1.68 0.37 1.61 2.12 -1.26 -5.05 118.70 115.50 1n6f s GLU 565 Ca 0.00 -1.79 -0.26 0.00 0.36 0.00 0.00 54.97 53.28 1n6f s GLU 565 Cb 0.00 -1.69 -0.12 0.00 0.26 0.00 0.00 34.13 32.58 1n6f s GLU 565 CO 0.00 0.27 0.99 0.66 -0.54 0.00 0.00 175.26 176.64 1n6f n TYR 566 N -0.64 1.15 -3.15 5.30 0.53 -1.26 -4.41 117.16 114.68 1n6f n TYR 566 Ca -0.05 0.61 0.04 0.00 -1.02 0.00 0.00 57.90 57.48 1n6f n TYR 566 Cb 0.61 -2.23 -0.00 0.00 -1.03 0.00 0.00 39.34 36.69 1n6f n TYR 566 CO 0.00 0.00 0.00 0.34 -1.02 0.00 0.00 176.86 176.18 1n6f s ASP 567 N -0.67 -1.25 0.00 7.72 -1.08 -0.90 -4.98 116.67 115.51 1n6f s ASP 567 Ca 0.61 0.35 0.19 0.00 -0.52 0.00 0.00 52.55 53.19 1n6f s ASP 567 Cb -0.61 1.88 0.69 0.00 -1.46 0.00 0.00 42.92 43.42 1n6f s ASP 567 CO 0.58 -0.23 1.51 0.18 0.52 0.00 0.00 175.17 177.73 1n6f n LEU 568 N 5.38 1.64 -4.76 -1.34 4.77 -1.26 -4.56 117.00 116.86 1n6f n LEU 568 Ca 0.03 -0.71 -0.40 0.00 -0.03 0.00 0.00 56.01 54.90 1n6f n LEU 568 Cb 0.54 -0.12 -0.04 0.00 -2.33 0.00 0.00 43.42 41.47 1n6f n LEU 568 CO -0.06 0.35 0.82 0.20 -1.33 0.00 0.00 177.39 177.38 1n6f s ASN 569 N -1.48 7.19 -1.47 -1.43 -0.87 -1.26 -3.51 114.94 112.11 1n6f s ASN 569 Ca 0.31 2.34 -0.01 0.00 -1.57 0.00 0.00 52.86 53.92 1n6f s ASN 569 Cb 0.16 -2.63 0.00 0.00 -0.02 0.00 0.00 41.25 38.76 1n6f s ASN 569 CO 0.24 -0.21 0.22 0.47 -2.57 0.00 0.00 177.10 175.26 1n6f n ASP 570 N 1.12 0.13 0.14 -1.22 8.00 -1.26 -4.83 116.55 118.64 1n6f n ASP 570 Ca -0.01 -1.15 0.11 0.00 0.71 0.00 0.00 54.79 54.44 1n6f n ASP 570 Cb 0.44 -2.28 0.05 0.00 -0.02 0.00 0.00 41.12 39.31 1n6f n ASP 570 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1n6f h MET 571 N -1.84 0.00 0.00 -1.24 -0.00 -1.76 -3.20 114.93 106.90 1n6f h MET 571 Ca -0.65 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.05 1n6f h MET 571 Cb 1.39 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.99 1n6f h MET 571 CO 0.66 0.04 0.00 2.48 -0.00 0.00 0.00 176.91 180.09 1n6f n TYR 572 N -2.85 0.61 0.13 -0.10 4.11 -1.23 -1.63 117.16 116.20 1n6f n TYR 572 Ca 0.01 0.26 0.04 0.00 -0.00 0.00 0.00 57.90 58.21 1n6f n TYR 572 Cb 0.57 -0.92 0.02 0.00 -0.00 0.00 0.00 39.34 39.01 1n6f n TYR 572 CO 0.00 0.00 0.00 0.87 -0.00 0.00 0.00 176.86 177.73 1n6f h LYS 573 N 0.00 0.00 -0.01 -3.48 1.57 -1.87 -3.25 116.57 109.53 1n6f h LYS 573 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1n6f h LYS 573 Cb 0.25 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.56 1n6f h LYS 573 CO 0.00 0.34 -0.13 0.54 -0.57 0.00 0.00 179.45 179.63 1n6f n ARG 574 N -3.09 1.18 -1.47 3.15 1.74 -0.64 -4.94 116.66 112.58 1n6f n ARG 574 Ca -0.00 -0.66 -0.38 0.00 -0.77 0.00 0.00 57.85 56.04 1n6f n ARG 574 Cb 0.71 -1.49 0.04 0.00 -1.02 0.00 0.00 32.46 30.70 1n6f n ARG 574 CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98 1n6f n SER 575 N -0.33 -0.98 -3.72 0.55 3.41 -1.18 -4.72 113.62 106.65 1n6f n SER 575 Ca 0.16 0.74 -0.13 0.00 -0.26 0.00 0.00 58.87 59.37 1n6f n SER 575 Cb 0.34 -1.18 -0.10 0.00 -0.26 0.00 0.00 64.21 63.01 1n6f n SER 575 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1n6f s SER 576 N -1.18 -0.48 0.55 4.04 0.15 -0.69 -4.99 113.70 111.11 1n6f s SER 576 Ca 0.69 0.91 -0.11 0.00 0.70 0.00 0.00 55.95 58.14 1n6f s SER 576 Cb -0.44 0.93 -0.05 0.00 -1.71 0.00 0.00 66.02 64.74 1n6f s SER 576 CO 0.54 -0.16 0.96 -2.16 1.20 0.00 0.00 173.24 173.61 1n6f s PRO 577 N 0.22 3.69 -0.19 5.44 0.04 -1.26 -0.32 135.00 142.62 1n6f s PRO 577 Ca -0.00 0.69 -0.05 0.00 0.04 0.00 0.00 61.00 61.67 1n6f s PRO 577 Cb -0.03 -2.17 -0.03 0.00 0.04 0.00 0.00 34.50 32.31 1n6f s PRO 577 CO 0.01 -0.40 0.00 0.96 0.04 0.00 0.00 177.00 177.61 1n6f s ILE 578 N -2.91 4.09 0.00 0.56 -5.25 -0.65 -4.84 121.20 112.20 1n6f s ILE 578 Ca 0.54 -0.27 -0.24 0.00 -0.99 0.00 0.00 60.65 59.69 1n6f s ILE 578 Cb -0.11 -2.83 -0.30 0.00 2.95 0.00 0.00 42.46 42.17 1n6f s ILE 578 CO 0.45 0.45 1.41 -3.20 -1.79 0.00 0.00 174.94 172.26 1n6f n ASN 579 N 3.93 0.70 -4.02 4.36 2.85 -1.26 -4.66 115.26 117.15 1n6f n ASN 579 Ca -0.17 -2.24 -0.25 0.00 -0.11 0.00 0.00 54.58 51.81 1n6f n ASN 579 Cb 0.52 -0.45 -0.17 0.00 1.24 0.00 0.00 39.78 40.93 1n6f n ASN 579 CO 0.00 0.00 0.00 -0.69 -2.11 0.00 0.00 177.26 174.46 1n6f s VAL 580 N 6.34 1.19 0.37 3.44 1.01 -1.26 -5.07 120.40 126.42 1n6f s VAL 580 Ca 0.54 -0.50 -0.25 0.00 0.00 0.00 0.00 61.98 61.77 1n6f s VAL 580 Cb 0.12 -1.10 -0.12 0.00 0.00 0.00 0.00 36.38 35.28 1n6f s VAL 580 CO 0.27 0.37 0.95 0.47 0.00 0.00 0.00 175.10 177.17 1n6f n ASP 581 N 3.93 1.00 -4.21 3.32 10.43 -1.26 -4.83 116.55 124.93 1n6f n ASP 581 Ca -0.22 1.07 -0.29 0.00 2.57 0.00 0.00 54.79 57.93 1n6f n ASP 581 Cb 0.52 -1.30 0.25 0.00 1.84 0.00 0.00 41.12 42.43 1n6f n ASP 581 CO 0.00 0.00 0.00 -2.65 -1.07 0.00 0.00 177.20 173.48 1n6f n PRO 582 N 0.41 -2.81 0.00 -0.24 -0.02 -1.26 -4.95 135.00 126.14 1n6f n PRO 582 Ca 0.10 -0.80 0.00 0.00 -2.02 0.00 0.00 63.50 60.77 1n6f n PRO 582 Cb 0.37 -2.00 0.00 0.00 -0.02 0.00 0.00 33.50 31.85 1n6f n PRO 582 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1n6f n GLY 583 N 1.45 -0.74 2.46 -1.23 0.00 -0.90 -4.90 105.19 101.34 1n6f n GLY 583 Ca 0.04 -0.20 -0.28 0.00 0.00 0.00 0.00 46.02 45.57 1n6f n GLY 583 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1n6f s ASP 584 N -4.00 2.25 -0.08 1.61 2.15 -1.26 -0.44 116.67 116.90 1n6f s ASP 584 Ca 0.00 -2.76 -0.14 0.00 0.43 0.00 0.00 52.55 50.07 1n6f s ASP 584 Cb 0.00 -0.51 -0.05 0.00 -0.30 0.00 0.00 42.92 42.06 1n6f s ASP 584 CO 0.00 -0.22 0.36 -0.31 -0.17 0.00 0.00 175.17 174.83 1n6f s TYR 585 N 0.37 3.60 -0.19 -5.34 4.12 -1.26 -0.89 117.35 117.76 1n6f s TYR 585 Ca 0.26 0.81 0.10 0.00 0.02 0.00 0.00 57.07 58.27 1n6f s TYR 585 Cb -0.08 -2.31 -0.14 0.00 -1.52 0.00 0.00 41.96 37.91 1n6f s TYR 585 CO -0.11 0.46 0.30 0.54 0.02 0.00 0.00 175.55 176.76 1n6f n ARG 586 N 2.65 1.68 -3.68 -0.62 5.12 0.05 -4.96 116.66 116.91 1n6f n ARG 586 Ca -0.13 -0.06 -0.14 0.00 -1.93 0.00 0.00 57.85 55.59 1n6f n ARG 586 Cb 0.52 -1.13 -0.08 0.00 -1.16 0.00 0.00 32.46 30.61 1n6f n ARG 586 CO 0.00 0.00 0.00 1.41 -1.93 0.00 0.00 177.63 177.11 1n6f s MET 587 N -2.39 0.70 -0.10 5.56 1.75 -1.25 -4.78 119.30 118.79 1n6f s MET 587 Ca -0.01 0.53 0.00 0.00 -1.25 0.00 0.00 55.69 54.96 1n6f s MET 587 Cb 0.07 0.33 0.02 0.00 2.84 0.00 0.00 34.83 38.09 1n6f s MET 587 CO 0.41 -0.13 -0.08 -1.50 -0.65 0.00 0.00 175.02 173.08 1n6f s ILE 588 N -0.19 0.97 -0.29 10.11 -1.16 -1.26 -1.29 121.20 128.09 1n6f s ILE 588 Ca -0.04 -0.29 0.03 0.00 -0.51 0.00 0.00 60.65 59.85 1n6f s ILE 588 Cb -0.03 -0.98 0.08 0.00 0.61 0.00 0.00 42.46 42.13 1n6f s ILE 588 CO 0.03 0.35 -0.04 -0.63 -2.81 0.00 0.00 174.94 171.83 1n6f s ILE 589 N 1.46 2.13 0.07 2.00 1.01 0.14 -4.76 121.20 123.26 1n6f s ILE 589 Ca -0.00 -1.86 -0.30 0.00 0.00 0.00 0.00 60.65 58.48 1n6f s ILE 589 Cb -0.13 -2.38 -0.06 0.00 0.01 0.00 0.00 42.46 39.90 1n6f s ILE 589 CO -0.05 -0.26 1.16 -2.16 0.00 0.00 0.00 174.94 173.63 1n6f s PRO 590 N 1.06 4.46 0.30 2.79 0.04 -1.26 -0.53 135.00 141.86 1n6f s PRO 590 Ca -0.01 1.73 0.01 0.00 0.04 0.00 0.00 61.00 62.77 1n6f s PRO 590 Cb -0.19 -3.35 -0.00 0.00 0.04 0.00 0.00 34.50 30.99 1n6f s PRO 590 CO -0.07 -0.20 0.04 1.28 0.04 0.00 0.00 177.00 178.10 1n6f n LEU 591 N 3.74 0.00 0.18 -3.56 4.77 -0.08 -4.72 117.00 117.33 1n6f n LEU 591 Ca 0.08 -2.03 -0.16 0.00 -0.03 0.00 0.00 56.01 53.87 1n6f n LEU 591 Cb 0.47 0.42 -0.09 0.00 -2.33 0.00 0.00 43.42 41.89 1n6f n LEU 591 CO 0.55 -0.30 0.55 -0.08 -1.33 0.00 0.00 177.39 176.78 1n6f h GLU 592 N 0.00 -0.77 0.00 3.23 4.81 -2.02 -3.34 114.58 116.50 1n6f h GLU 592 Ca -0.24 0.05 -0.01 0.00 -0.13 0.00 0.00 59.36 59.03 1n6f h GLU 592 Cb 0.80 0.17 -0.03 0.00 0.63 0.00 0.00 28.75 30.33 1n6f h GLU 592 CO 0.39 -0.51 -0.32 -1.13 -0.73 0.00 0.00 179.01 176.71 1n6f n SER 593 N -5.50 1.26 -3.82 1.04 3.41 -1.26 -5.05 113.62 103.70 1n6f n SER 593 Ca -0.09 -2.64 -0.09 0.00 -0.26 0.00 0.00 58.87 55.78 1n6f n SER 593 Cb 0.42 -0.34 -0.04 0.00 -0.26 0.00 0.00 64.21 63.99 1n6f n SER 593 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1n6f s SER 594 N -2.09 -0.20 -0.05 4.04 1.04 -1.25 -1.35 113.70 113.83 1n6f s SER 594 Ca 0.20 -0.62 0.03 0.00 0.48 0.00 0.00 55.95 56.04 1n6f s SER 594 Cb 0.18 0.58 0.00 0.00 0.10 0.00 0.00 66.02 66.89 1n6f s SER 594 CO -0.01 -1.08 -0.14 -0.63 0.98 0.00 0.00 173.24 172.36 1n6f s ILE 595 N -3.91 1.21 -0.13 -1.02 -1.09 0.14 -0.90 121.20 115.50 1n6f s ILE 595 Ca 0.13 -0.58 -0.10 0.00 -2.23 0.00 0.00 60.65 57.87 1n6f s ILE 595 Cb -0.01 -1.06 -0.05 0.00 -1.58 0.00 0.00 42.46 39.76 1n6f s ILE 595 CO 0.01 0.36 0.21 -0.76 -1.23 0.00 0.00 174.94 173.53 1n6f s LEU 596 N 0.25 4.34 -0.04 2.97 1.43 0.31 0.01 118.68 127.94 1n6f s LEU 596 Ca -0.07 0.50 0.01 0.00 -1.03 0.00 0.00 54.13 53.54 1n6f s LEU 596 Cb -0.12 -2.21 0.02 0.00 0.03 0.00 0.00 46.19 43.91 1n6f s LEU 596 CO 0.02 0.29 -0.04 -0.63 0.23 0.00 0.00 176.35 176.22 1n6f s ILE 597 N -0.45 0.49 -0.34 -0.59 1.01 0.11 0.27 121.20 121.71 1n6f s ILE 597 Ca 0.15 -0.12 -0.19 0.00 0.00 0.00 0.00 60.65 60.49 1n6f s ILE 597 Cb -0.13 -0.51 -0.00 0.00 0.01 0.00 0.00 42.46 41.83 1n6f s ILE 597 CO 0.04 0.21 0.57 -0.47 0.00 0.00 0.00 174.94 175.28 1n6f s TYR 598 N 0.79 3.18 0.04 3.97 5.04 -0.41 0.57 117.35 130.53 1n6f s TYR 598 Ca -0.10 0.30 0.05 0.00 -2.44 0.00 0.00 57.07 54.88 1n6f s TYR 598 Cb -0.13 -2.99 -0.04 0.00 0.35 0.00 0.00 41.96 39.15 1n6f s TYR 598 CO 0.00 -0.55 -0.10 0.45 -1.34 0.00 0.00 175.55 174.01 1n6f s SER 599 N 1.75 4.40 -0.20 4.32 0.15 -0.23 -0.77 113.70 123.12 1n6f s SER 599 Ca 0.21 -0.28 0.00 0.00 0.70 0.00 0.00 55.95 56.59 1n6f s SER 599 Cb -0.15 -0.91 0.05 0.00 -1.71 0.00 0.00 66.02 63.30 1n6f s SER 599 CO 0.13 0.24 -0.07 -0.69 1.20 0.00 0.00 173.24 174.06 1n6f s VAL 600 N -1.06 1.43 0.42 4.45 1.01 -0.07 -0.42 120.40 126.16 1n6f s VAL 600 Ca 0.18 -0.97 -0.26 0.00 0.00 0.00 0.00 61.98 60.94 1n6f s VAL 600 Cb -0.11 -1.61 -0.08 0.00 0.00 0.00 0.00 36.38 34.58 1n6f s VAL 600 CO 0.09 0.05 1.32 -2.84 0.00 0.00 0.00 175.10 173.73 1n6f s PRO 601 N 1.47 3.88 0.32 2.72 0.02 -1.26 -4.43 135.00 137.71 1n6f s PRO 601 Ca -0.02 2.19 -0.29 0.00 0.02 0.00 0.00 61.00 62.90 1n6f s PRO 601 Cb -0.17 -2.70 -0.12 0.00 0.02 0.00 0.00 34.50 31.52 1n6f s PRO 601 CO -0.07 -0.58 1.40 0.28 -0.33 0.00 0.00 177.00 177.70 1n6f n VAL 602 N 0.00 1.61 -3.99 3.83 0.31 -1.26 -4.98 118.33 113.85 1n6f n VAL 602 Ca 0.04 -0.40 -0.09 0.00 -0.01 0.00 0.00 64.34 63.88 1n6f n VAL 602 Cb 0.43 -1.69 -0.05 0.00 -0.91 0.00 0.00 33.84 31.63 1n6f n VAL 602 CO 0.00 0.00 0.00 -1.38 -1.32 0.00 0.00 176.83 174.13 1n6f s HIS 603 N -0.69 0.37 0.69 3.52 -3.43 -1.26 -5.16 115.29 109.33 1n6f s HIS 603 Ca 0.59 -0.74 -0.11 0.00 -0.80 0.00 0.00 55.06 54.00 1n6f s HIS 603 Cb -0.56 0.22 0.00 0.00 -1.43 0.00 0.00 32.58 30.82 1n6f s HIS 603 CO 0.57 -1.04 1.06 0.20 -2.00 0.00 0.00 174.74 173.54 1n6f s GLY 604 N -3.03 1.65 0.00 -1.38 0.00 -1.26 -4.99 107.32 98.31 1n6f s GLY 604 Ca 0.22 -0.08 0.13 0.00 0.00 0.00 0.00 44.72 44.99 1n6f s GLY 604 CO 0.10 0.24 0.78 1.18 0.00 0.00 0.00 173.10 175.40 1n6f n GLU 605 N -3.03 1.69 0.00 2.90 -0.58 -1.26 -4.72 120.64 115.64 1n6f n GLU 605 Ca 0.07 -0.82 -0.10 0.00 -0.42 0.00 0.00 57.16 55.88 1n6f n GLU 605 Cb 0.55 -1.19 -0.04 0.00 -0.57 0.00 0.00 31.44 30.18 1n6f n GLU 605 CO 0.00 0.00 0.00 0.35 -0.48 0.00 0.00 177.13 177.00 1n6f h PHE 606 N 1.69 -0.84 -0.40 -0.32 3.04 -1.95 0.12 116.94 118.28 1n6f h PHE 606 Ca 0.00 0.04 -0.05 0.00 3.98 0.00 0.00 57.97 61.94 1n6f h PHE 606 Cb 0.47 0.39 -0.02 0.00 2.56 0.00 0.00 35.95 39.34 1n6f h PHE 606 CO 0.00 -0.39 0.06 0.00 -2.02 0.00 0.00 178.31 175.96 1n6f h ALA 607 N 0.45 1.36 -0.28 2.41 0.00 -1.95 -2.20 119.26 119.05 1n6f h ALA 607 Ca 0.10 -0.19 -0.16 0.00 0.00 0.00 0.00 54.91 54.65 1n6f h ALA 607 Cb 0.53 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 18.15 1n6f h ALA 607 CO -0.34 0.45 -0.48 0.00 0.00 0.00 0.00 179.25 178.88 1n6f h ALA 608 N 1.48 0.61 -0.17 0.00 0.00 -1.57 0.26 119.26 119.86 1n6f h ALA 608 Ca 0.13 -0.49 -0.15 0.00 0.00 0.00 0.00 54.91 54.40 1n6f h ALA 608 Cb 0.29 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 1n6f h ALA 608 CO 0.00 0.68 -0.53 -0.92 0.00 0.00 0.00 179.25 178.48 1n6f h TYR 609 N 0.61 0.62 0.00 0.00 3.20 -0.46 -3.07 116.97 117.87 1n6f h TYR 609 Ca 0.03 -0.21 0.00 0.00 3.14 0.00 0.00 58.73 61.69 1n6f h TYR 609 Cb 1.05 -0.12 0.00 0.00 1.54 0.00 0.00 36.73 39.20 1n6f h TYR 609 CO 0.06 0.92 0.00 0.66 -1.64 0.00 0.00 178.16 178.16 1n6f n TYR 610 N -3.96 0.00 0.22 -3.82 4.02 -0.86 -4.65 117.16 108.12 1n6f n TYR 610 Ca -0.03 0.00 0.15 0.00 -0.01 0.00 0.00 57.90 58.01 1n6f n TYR 610 Cb 0.59 0.00 0.79 0.00 -0.02 0.00 0.00 39.34 40.69 1n6f n TYR 610 CO 0.00 0.00 0.00 1.96 -1.01 0.00 0.00 176.86 177.81 1n6f h GLN 611 N 0.00 0.00 -0.02 -0.72 4.20 -1.50 -3.45 115.11 113.62 1n6f h GLN 611 Ca 0.00 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.70 1n6f h GLN 611 Cb 0.00 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 27.78 1n6f h GLN 611 CO 0.00 0.00 -0.01 0.41 -0.67 0.00 0.00 178.83 178.56 1n6f n GLY 612 N -1.23 0.44 3.60 3.46 0.00 0.81 -4.95 105.19 107.33 1n6f n GLY 612 Ca -0.02 -0.11 -0.46 0.00 0.00 0.00 0.00 46.02 45.43 1n6f n GLY 612 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1n6f n ALA 613 N 1.01 -0.12 -1.63 4.61 0.00 -0.78 -4.85 120.51 118.74 1n6f n ALA 613 Ca -0.00 0.41 -0.33 0.00 0.00 0.00 0.00 53.44 53.52 1n6f n ALA 613 Cb 0.09 -2.07 0.02 0.00 0.00 0.00 0.00 19.45 17.49 1n6f n ALA 613 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1n6f s PRO 614 N -1.09 3.16 -0.03 0.00 0.04 -1.26 -4.17 135.00 131.66 1n6f s PRO 614 Ca 0.64 1.33 -0.30 0.00 0.04 0.00 0.00 61.00 62.70 1n6f s PRO 614 Cb -0.73 -2.00 -0.03 0.00 0.04 0.00 0.00 34.50 31.78 1n6f s PRO 614 CO 0.57 -0.95 1.01 -2.00 0.04 0.00 0.00 177.00 175.66 1n6f s GLU 615 N -3.94 4.51 -0.18 4.56 2.12 -1.26 -5.00 118.70 119.50 1n6f s GLU 615 Ca 0.66 1.44 -0.24 0.00 0.36 0.00 0.00 54.97 57.20 1n6f s GLU 615 Cb -0.19 -3.48 -0.02 0.00 0.26 0.00 0.00 34.13 30.71 1n6f s GLU 615 CO 0.36 -0.15 0.76 0.15 -0.54 0.00 0.00 175.26 175.84 1n6f s LYS 616 N 1.34 4.26 0.33 4.30 1.02 -1.26 -4.33 119.74 125.40 1n6f s LYS 616 Ca 0.51 0.87 0.01 0.00 0.02 0.00 0.00 55.97 57.38 1n6f s LYS 616 Cb -0.21 -3.58 -0.00 0.00 -0.52 0.00 0.00 37.83 33.52 1n6f s LYS 616 CO 0.25 -0.30 0.03 0.41 -0.92 0.00 0.00 175.35 174.82 1n6f n GLY 617 N 3.59 3.70 3.32 -3.33 0.00 0.13 -4.09 105.19 108.52 1n6f n GLY 617 Ca 0.02 -2.25 -0.14 0.00 0.00 0.00 0.00 46.02 43.65 1n6f n GLY 617 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1n6f s VAL 618 N -2.34 0.03 -0.39 1.61 0.11 0.43 -2.25 120.40 117.60 1n6f s VAL 618 Ca 0.04 -0.26 -0.18 0.00 -2.93 0.00 0.00 61.98 58.64 1n6f s VAL 618 Cb 0.00 -0.70 0.01 0.00 -1.53 0.00 0.00 36.38 34.16 1n6f s VAL 618 CO 0.03 -0.15 0.51 -0.22 -3.33 0.00 0.00 175.10 171.94 1n6f s LEU 619 N -0.95 4.57 0.08 2.54 2.96 0.31 -1.06 118.68 127.13 1n6f s LEU 619 Ca -0.10 -0.34 -0.00 0.00 -0.22 0.00 0.00 54.13 53.47 1n6f s LEU 619 Cb -0.04 -2.53 -0.04 0.00 0.50 0.00 0.00 46.19 44.08 1n6f s LEU 619 CO 0.05 -0.58 0.24 -0.76 -1.32 0.00 0.00 176.35 173.98 1n6f s LEU 620 N 2.38 4.34 -0.09 -0.68 1.43 0.19 -0.48 118.68 125.78 1n6f s LEU 620 Ca 0.17 0.30 0.04 0.00 -1.03 0.00 0.00 54.13 53.61 1n6f s LEU 620 Cb -0.16 -3.01 0.00 0.00 0.03 0.00 0.00 46.19 43.06 1n6f s LEU 620 CO 0.15 0.14 -0.21 -0.75 0.23 0.00 0.00 176.35 175.91 1n6f s LYS 621 N -2.62 2.65 -0.24 1.70 2.20 -0.17 0.09 119.74 123.35 1n6f s LYS 621 Ca 0.36 -0.75 -0.01 0.00 -0.36 0.00 0.00 55.97 55.21 1n6f s LYS 621 Cb -0.13 -2.04 0.02 0.00 -1.51 0.00 0.00 37.83 34.18 1n6f s LYS 621 CO 0.28 0.14 -0.08 -0.47 -0.36 0.00 0.00 175.35 174.86 1n6f s TYR 622 N 0.42 3.02 -0.30 4.03 6.14 0.10 -1.57 117.35 129.19 1n6f s TYR 622 Ca -0.17 -1.51 -0.28 0.00 0.64 0.00 0.00 57.07 55.75 1n6f s TYR 622 Cb -0.17 -2.04 0.01 0.00 0.42 0.00 0.00 41.96 40.18 1n6f s TYR 622 CO 0.07 -0.72 1.01 0.34 0.64 0.00 0.00 175.55 176.89 1n6f s ASP 623 N 1.33 6.90 0.29 4.32 -1.08 -0.82 0.24 116.67 127.86 1n6f s ASP 623 Ca 0.01 1.02 -0.01 0.00 -0.52 0.00 0.00 52.55 53.05 1n6f s ASP 623 Cb -0.16 -2.52 0.47 0.00 -1.46 0.00 0.00 42.92 39.26 1n6f s ASP 623 CO -0.05 -0.80 1.91 -0.37 0.52 0.00 0.00 175.17 176.38 1n6f h VAL 624 N 5.67 1.10 0.42 1.11 -1.51 -1.56 0.51 116.25 121.99 1n6f h VAL 624 Ca -0.21 -0.38 -0.02 0.00 -1.23 0.00 0.00 66.70 64.86 1n6f h VAL 624 Cb 1.07 -0.09 0.00 0.00 -2.13 0.00 0.00 31.29 30.14 1n6f h VAL 624 CO 1.00 0.20 -0.20 0.11 -1.23 0.00 0.00 177.57 177.45 1n6f h LYS 625 N 1.10 -0.54 0.00 5.19 1.79 -1.92 -3.32 116.57 118.87 1n6f h LYS 625 Ca 0.39 0.04 0.00 0.00 -2.18 0.00 0.00 60.65 58.90 1n6f h LYS 625 Cb 0.13 0.12 0.00 0.00 -1.58 0.00 0.00 32.23 30.90 1n6f h LYS 625 CO -0.14 -0.36 0.00 1.79 -1.08 0.00 0.00 179.45 179.66 1n6f h THR 626 N -0.89 0.00 -0.43 -0.16 1.35 -1.93 -3.46 112.91 107.40 1n6f h THR 626 Ca -0.06 -0.54 -0.18 0.00 -0.55 0.00 0.00 66.41 65.08 1n6f h THR 626 Cb 0.43 1.47 -0.07 0.00 -1.73 0.00 0.00 68.15 68.24 1n6f h THR 626 CO 0.09 0.00 -0.17 0.54 -0.25 0.00 0.00 175.52 175.74 1n6f n ARG 627 N -2.71 -1.77 -3.20 4.72 1.74 0.18 -4.95 116.66 110.67 1n6f n ARG 627 Ca 0.03 0.81 -0.33 0.00 -0.77 0.00 0.00 57.85 57.59 1n6f n ARG 627 Cb 0.36 -5.26 -0.06 0.00 -1.02 0.00 0.00 32.46 26.48 1n6f n ARG 627 CO 0.00 0.00 0.00 0.21 -1.52 0.00 0.00 177.63 176.32 1n6f s LYS 628 N -2.75 3.99 -0.04 5.56 2.20 -1.25 -4.82 119.74 122.63 1n6f s LYS 628 Ca 0.00 0.61 0.04 0.00 -0.36 0.00 0.00 55.97 56.26 1n6f s LYS 628 Cb 0.00 -2.54 -0.03 0.00 -1.51 0.00 0.00 37.83 33.75 1n6f s LYS 628 CO 0.00 0.23 -0.16 0.08 -0.36 0.00 0.00 175.35 175.14 1n6f s VAL 629 N -1.88 2.91 0.18 4.02 1.01 -1.26 -1.94 120.40 123.44 1n6f s VAL 629 Ca 0.51 -0.79 -0.04 0.00 0.00 0.00 0.00 61.98 61.66 1n6f s VAL 629 Cb -0.11 -2.12 -0.03 0.00 0.00 0.00 0.00 36.38 34.11 1n6f s VAL 629 CO 0.19 0.59 0.18 0.42 0.00 0.00 0.00 175.10 176.47 1n6f s THR 630 N -0.72 0.03 -0.30 3.92 -4.23 -0.61 -4.98 115.64 108.76 1n6f s THR 630 Ca 0.11 -1.82 -0.11 0.00 -1.18 0.00 0.00 61.69 58.69 1n6f s THR 630 Cb -0.10 -2.27 -0.03 0.00 1.34 0.00 0.00 72.50 71.44 1n6f s THR 630 CO 0.00 -0.15 0.18 -0.70 -0.54 0.00 0.00 174.62 173.41 1n6f s GLU 631 N -4.09 3.68 -0.01 3.99 2.12 -1.26 -1.00 118.70 122.12 1n6f s GLU 631 Ca 0.30 -0.50 0.09 0.00 0.36 0.00 0.00 54.97 55.22 1n6f s GLU 631 Cb 0.06 -3.64 -0.23 0.00 0.26 0.00 0.00 34.13 30.57 1n6f s GLU 631 CO 0.08 -0.29 0.77 0.28 -0.54 0.00 0.00 175.26 175.55 1n6f h VAL 632 N 5.47 1.02 -1.65 3.70 2.07 -1.12 -3.49 116.25 122.25 1n6f h VAL 632 Ca -0.34 -2.82 0.05 0.00 0.82 0.00 0.00 66.70 64.41 1n6f h VAL 632 Cb 1.17 2.54 -0.24 0.00 -1.52 0.00 0.00 31.29 33.23 1n6f h VAL 632 CO 0.59 0.64 0.43 -0.75 0.02 0.00 0.00 177.57 178.49 1n6f s LYS 633 N -2.62 0.60 0.20 1.57 2.47 -1.16 -4.98 119.74 115.82 1n6f s LYS 633 Ca -0.05 0.50 0.01 0.00 -1.56 0.00 0.00 55.97 54.87 1n6f s LYS 633 Cb 0.08 0.29 -0.00 0.00 -1.46 0.00 0.00 37.83 36.73 1n6f s LYS 633 CO 0.82 -0.11 0.04 0.27 0.16 0.00 0.00 175.35 176.53 1n6f n ASN 634 N 1.80 1.74 -3.26 1.43 0.23 -1.26 -0.53 115.26 115.41 1n6f n ASN 634 Ca -0.12 -1.97 -0.23 0.00 -0.53 0.00 0.00 54.58 51.73 1n6f n ASN 634 Cb 0.56 0.33 0.05 0.00 -2.08 0.00 0.00 39.78 38.64 1n6f n ASN 634 CO 0.00 0.00 0.00 0.59 -0.93 0.00 0.00 177.26 176.92 1n6f n ASN 635 N -1.52 -6.05 -4.89 0.53 5.03 -1.21 -4.95 115.26 102.19 1n6f n ASN 635 Ca -0.05 -0.39 -0.32 0.00 0.87 0.00 0.00 54.58 54.68 1n6f n ASN 635 Cb 0.28 -4.85 -0.05 0.00 -1.02 0.00 0.00 39.78 34.14 1n6f n ASN 635 CO 0.00 0.00 0.00 -0.76 -1.83 0.00 0.00 177.26 174.67 1n6f s LEU 636 N -6.91 4.29 0.00 3.41 1.43 -0.95 -1.35 118.68 118.60 1n6f s LEU 636 Ca 0.41 0.64 0.00 0.00 -1.03 0.00 0.00 54.13 54.16 1n6f s LEU 636 Cb -0.19 -3.20 0.00 0.00 0.03 0.00 0.00 46.19 42.83 1n6f s LEU 636 CO 0.51 0.09 0.26 0.35 0.23 0.00 0.00 176.35 177.79 1n6f n THR 637 N 0.34 0.00 -3.62 5.49 -2.24 0.13 0.20 114.28 114.59 1n6f n THR 637 Ca -0.04 -0.30 -0.05 0.00 -2.27 0.00 0.00 64.05 61.39 1n6f n THR 637 Cb 0.52 1.35 -0.04 0.00 -2.10 0.00 0.00 70.33 70.05 1n6f n THR 637 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1n6f s ASP 638 N -0.08 -0.16 -0.05 3.42 3.68 -1.15 -4.77 116.67 117.55 1n6f s ASP 638 Ca 0.00 0.16 -0.15 0.00 2.13 0.00 0.00 52.55 54.69 1n6f s ASP 638 Cb 0.00 0.14 0.03 0.00 -1.45 0.00 0.00 42.92 41.64 1n6f s ASP 638 CO 0.00 -0.16 0.35 -0.22 0.13 0.00 0.00 175.17 175.27 1n6f s LEU 639 N -1.16 0.66 -0.02 -1.34 0.20 -1.26 -1.10 118.68 114.65 1n6f s LEU 639 Ca 0.05 0.33 -0.02 0.00 0.69 0.00 0.00 54.13 55.18 1n6f s LEU 639 Cb -0.01 1.36 0.01 0.00 -0.43 0.00 0.00 46.19 47.12 1n6f s LEU 639 CO -0.04 -0.36 0.07 -0.13 -0.29 0.00 0.00 176.35 175.59 1n6f s ARG 640 N -0.86 0.10 0.02 1.98 1.81 0.37 -5.00 118.95 117.37 1n6f s ARG 640 Ca -0.09 0.06 0.05 0.00 -1.72 0.00 0.00 55.73 54.03 1n6f s ARG 640 Cb -0.04 0.05 -0.03 0.00 -0.45 0.00 0.00 34.95 34.47 1n6f s ARG 640 CO 0.04 -0.01 -0.12 -1.17 -0.68 0.00 0.00 175.30 173.35 1n6f s LEU 641 N -0.04 2.90 1.27 2.53 2.96 -1.26 -1.71 118.68 125.33 1n6f s LEU 641 Ca -0.01 -0.28 -0.21 0.00 -0.22 0.00 0.00 54.13 53.41 1n6f s LEU 641 Cb -0.01 -1.68 0.31 0.00 0.50 0.00 0.00 46.19 45.32 1n6f s LEU 641 CO 0.00 0.27 1.08 -0.94 -1.32 0.00 0.00 176.35 175.44 1n6f s SER 642 N -1.43 0.32 -0.03 3.68 1.04 -0.53 -4.92 113.70 111.82 1n6f s SER 642 Ca 0.16 0.57 -0.26 0.00 0.48 0.00 0.00 55.95 56.90 1n6f s SER 642 Cb -0.11 -0.76 -0.21 0.00 0.10 0.00 0.00 66.02 65.05 1n6f s SER 642 CO 0.07 -4.48 1.22 0.00 0.98 0.00 0.00 173.24 171.02 1n6f h ALA 643 N -2.83 -0.00 0.00 5.32 0.00 -1.90 -3.12 119.26 116.72 1n6f h ALA 643 Ca -0.43 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.22 1n6f h ALA 643 Cb 1.29 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.09 1n6f h ALA 643 CO 0.29 -0.24 0.00 -0.40 0.00 0.00 0.00 179.25 178.90 1n6f n ASP 644 N -4.84 0.00 -0.66 0.00 3.85 -1.26 -4.83 116.55 108.81 1n6f n ASP 644 Ca -0.09 -1.28 -0.07 0.00 -0.71 0.00 0.00 54.79 52.64 1n6f n ASP 644 Cb 0.27 0.00 -0.03 0.00 -1.35 0.00 0.00 41.12 40.01 1n6f n ASP 644 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.20 176.73 1n6f n ARG 645 N -0.51 -1.69 -0.09 0.11 1.74 -1.18 -4.76 116.66 110.28 1n6f n ARG 645 Ca 0.00 0.59 -0.08 0.00 -0.77 0.00 0.00 57.85 57.59 1n6f n ARG 645 Cb 0.00 -4.66 -0.16 0.00 -1.02 0.00 0.00 32.46 26.62 1n6f n ARG 645 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 1n6f n LYS 646 N -0.53 0.76 -3.91 5.56 5.02 -1.26 -4.76 118.16 119.04 1n6f n LYS 646 Ca -0.07 -0.02 -0.36 0.00 -2.02 0.00 0.00 58.31 55.84 1n6f n LYS 646 Cb 0.41 -1.51 -0.08 0.00 -0.02 0.00 0.00 35.03 33.84 1n6f n LYS 646 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 1n6f s THR 647 N -2.55 5.21 -0.09 -0.18 2.01 -1.26 0.33 115.64 119.11 1n6f s THR 647 Ca -0.10 0.11 0.04 0.00 0.31 0.00 0.00 61.69 62.05 1n6f s THR 647 Cb 0.06 -3.31 -0.00 0.00 0.01 0.00 0.00 72.50 69.26 1n6f s THR 647 CO 0.82 0.53 -0.23 -0.69 -0.69 0.00 0.00 174.62 174.36 1n6f s VAL 648 N -0.31 2.19 -0.14 3.82 1.01 -0.15 -1.46 120.40 125.36 1n6f s VAL 648 Ca 0.10 -0.99 0.02 0.00 0.00 0.00 0.00 61.98 61.12 1n6f s VAL 648 Cb -0.12 -1.83 0.01 0.00 0.00 0.00 0.00 36.38 34.44 1n6f s VAL 648 CO 0.01 0.56 -0.20 -0.32 0.00 0.00 0.00 175.10 175.15 1n6f s MET 649 N 0.18 2.81 0.31 2.72 1.75 -0.69 -0.68 119.30 125.71 1n6f s MET 649 Ca -0.13 -0.78 0.03 0.00 -1.25 0.00 0.00 55.69 53.56 1n6f s MET 649 Cb -0.16 -2.33 -0.05 0.00 2.84 0.00 0.00 34.83 35.12 1n6f s MET 649 CO 0.07 -0.07 0.09 0.14 -0.65 0.00 0.00 175.02 174.60 1n6f s VAL 650 N 0.97 0.79 -0.07 10.11 -7.23 0.60 -0.48 120.40 125.09 1n6f s VAL 650 Ca -0.04 -2.00 0.03 0.00 -1.81 0.00 0.00 61.98 58.15 1n6f s VAL 650 Cb -0.15 -2.65 0.01 0.00 0.56 0.00 0.00 36.38 34.16 1n6f s VAL 650 CO -0.04 0.00 -0.15 -0.60 -0.31 0.00 0.00 175.10 174.00 1n6f s ARG 651 N -3.91 1.92 0.49 4.82 6.06 -0.26 -0.41 118.95 127.66 1n6f s ARG 651 Ca 0.35 -0.50 0.08 0.00 -2.50 0.00 0.00 55.73 53.16 1n6f s ARG 651 Cb 0.07 -1.56 0.03 0.00 0.06 0.00 0.00 34.95 33.55 1n6f s ARG 651 CO 0.15 0.07 0.57 0.15 -2.50 0.00 0.00 175.30 173.74 1n6f s LYS 652 N 0.56 2.50 0.58 5.12 1.02 -0.77 0.21 119.74 128.96 1n6f s LYS 652 Ca -0.14 -1.56 0.29 0.00 0.02 0.00 0.00 55.97 54.57 1n6f s LYS 652 Cb -0.16 -2.53 1.76 0.00 -0.52 0.00 0.00 37.83 36.38 1n6f s LYS 652 CO 0.04 -0.50 2.24 0.38 -0.92 0.00 0.00 175.35 176.59 1n6f h ASP 653 N 0.60 0.00 0.25 2.83 2.03 -1.51 0.79 116.42 121.41 1n6f h ASP 653 Ca -0.36 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 55.94 1n6f h ASP 653 Cb 1.28 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.78 1n6f h ASP 653 CO 0.48 0.01 0.00 -0.90 -1.03 0.00 0.00 179.24 177.81 1n6f n ASP 654 N -3.88 0.00 0.00 4.15 5.68 -1.26 -4.86 116.55 116.38 1n6f n ASP 654 Ca -0.03 -0.27 0.00 0.00 -0.50 0.00 0.00 54.79 53.99 1n6f n ASP 654 Cb 0.10 -0.18 0.00 0.00 -1.14 0.00 0.00 41.12 39.89 1n6f n ASP 654 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1n6f n GLY 655 N 0.48 1.52 3.87 6.12 0.00 0.27 -5.05 105.19 112.40 1n6f n GLY 655 Ca 0.13 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.84 1n6f n GLY 655 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1n6f s LYS 656 N -0.37 3.84 -0.13 1.61 1.02 -1.26 -4.81 119.74 119.65 1n6f s LYS 656 Ca 0.00 0.57 -0.09 0.00 0.02 0.00 0.00 55.97 56.47 1n6f s LYS 656 Cb 0.00 -2.37 -0.04 0.00 -0.52 0.00 0.00 37.83 34.90 1n6f s LYS 656 CO 0.00 -0.03 0.17 0.42 -0.92 0.00 0.00 175.35 174.99 1n6f s ILE 657 N -2.33 5.43 0.21 2.17 1.09 -1.26 -1.84 121.20 124.66 1n6f s ILE 657 Ca 0.53 0.29 0.05 0.00 -1.10 0.00 0.00 60.65 60.42 1n6f s ILE 657 Cb -0.10 -3.46 -0.05 0.00 -1.06 0.00 0.00 42.46 37.79 1n6f s ILE 657 CO 0.29 0.55 -0.07 -0.31 -0.10 0.00 0.00 174.94 175.30 1n6f s TYR 658 N -0.58 1.57 -0.07 3.97 1.51 0.45 -0.96 117.35 123.25 1n6f s TYR 658 Ca 0.14 -0.76 -0.03 0.00 -1.01 0.00 0.00 57.07 55.42 1n6f s TYR 658 Cb -0.12 -0.83 0.04 0.00 -0.11 0.00 0.00 41.96 40.93 1n6f s TYR 658 CO 0.03 0.14 0.14 -0.08 -1.11 0.00 0.00 175.55 174.67 1n6f s THR 659 N -3.22 -0.13 0.00 -0.71 -1.32 -0.43 -0.29 115.64 109.54 1n6f s THR 659 Ca 0.24 0.25 -0.02 0.00 -1.21 0.00 0.00 61.69 60.95 1n6f s THR 659 Cb 0.03 -0.24 -0.01 0.00 -1.51 0.00 0.00 72.50 70.77 1n6f s THR 659 CO 0.06 0.11 0.04 0.72 -2.21 0.00 0.00 174.62 173.34 1n6f s PHE 660 N 1.59 0.09 0.25 9.09 -0.71 0.14 -0.96 117.98 127.48 1n6f s PHE 660 Ca -0.04 -0.20 -0.30 0.00 -1.04 0.00 0.00 56.93 55.35 1n6f s PHE 660 Cb -0.12 -0.08 -0.09 0.00 -1.21 0.00 0.00 43.02 41.52 1n6f s PHE 660 CO -0.06 -0.16 1.28 -2.14 -1.34 0.00 0.00 175.22 172.81 1n6f s PRO 661 N -0.92 4.42 0.44 1.99 0.02 -1.26 -0.98 135.00 138.71 1n6f s PRO 661 Ca -0.10 2.07 0.13 0.00 0.02 0.00 0.00 61.00 63.11 1n6f s PRO 661 Cb -0.06 -3.16 1.02 0.00 0.02 0.00 0.00 34.50 32.32 1n6f s PRO 661 CO -0.00 -0.17 2.01 1.25 -0.33 0.00 0.00 177.00 179.76 1n6f h LEU 662 N 4.57 0.36 -0.20 -5.54 5.85 -0.42 -2.22 115.31 117.71 1n6f h LEU 662 Ca -0.46 0.00 -0.05 0.00 0.84 0.00 0.00 57.88 58.21 1n6f h LEU 662 Cb 1.22 -0.07 -0.01 0.00 0.37 0.00 0.00 40.66 42.17 1n6f h LEU 662 CO 0.72 0.23 -0.07 1.05 -0.34 0.00 0.00 178.44 180.04 1n6f h GLU 663 N 0.41 0.39 -2.45 1.25 4.11 -1.91 -3.37 114.58 113.00 1n6f h GLU 663 Ca 0.23 -0.16 -0.60 0.00 0.07 0.00 0.00 59.36 58.90 1n6f h GLU 663 Cb 0.38 -0.02 -0.41 0.00 0.50 0.00 0.00 28.75 29.20 1n6f h GLU 663 CO -0.06 0.66 -0.70 1.63 0.07 0.00 0.00 179.01 180.61 1n6f n LYS 664 N -4.61 1.81 0.00 1.06 4.76 -0.89 -4.93 118.16 115.36 1n6f n LYS 664 Ca -0.05 -4.25 0.00 0.00 -2.87 0.00 0.00 58.31 51.15 1n6f n LYS 664 Cb 0.29 -2.05 0.00 0.00 -1.84 0.00 0.00 35.03 31.44 1n6f n LYS 664 CO 0.00 0.00 0.00 -0.35 -1.37 0.00 0.00 177.40 175.68 1n6f n PRO 665 N 1.47 0.00 0.17 1.97 -0.04 -0.89 -1.24 135.00 136.44 1n6f n PRO 665 Ca 0.26 0.16 0.05 0.00 -0.04 0.00 0.00 63.50 63.92 1n6f n PRO 665 Cb 0.42 -1.50 0.19 0.00 -0.04 0.00 0.00 33.50 32.56 1n6f n PRO 665 CO 0.00 0.00 0.00 1.49 -0.04 0.00 0.00 175.50 176.95 1n6f h GLU 666 N 0.00 0.00 -2.76 0.54 4.81 -1.91 -3.37 114.58 111.88 1n6f h GLU 666 Ca 0.00 0.00 -0.81 0.00 -0.13 0.00 0.00 59.36 58.42 1n6f h GLU 666 Cb 0.01 0.00 -0.28 0.00 0.63 0.00 0.00 28.75 29.11 1n6f h GLU 666 CO 0.00 0.42 0.82 -0.25 -0.73 0.00 0.00 179.01 179.27 1n6f n ASP 667 N -3.34 6.60 -4.88 1.04 8.00 -0.37 -5.02 116.55 118.57 1n6f n ASP 667 Ca 0.01 -3.48 -0.32 0.00 0.71 0.00 0.00 54.79 51.71 1n6f n ASP 667 Cb 0.62 -1.24 -0.05 0.00 -0.02 0.00 0.00 41.12 40.43 1n6f n ASP 667 CO 0.00 0.00 0.00 -1.83 -0.39 0.00 0.00 177.20 174.98 1n6f s GLU 668 N -3.13 3.72 0.18 -1.24 -1.05 -1.26 -4.38 118.70 111.53 1n6f s GLU 668 Ca 0.33 0.10 0.10 0.00 -0.15 0.00 0.00 54.97 55.34 1n6f s GLU 668 Cb 0.08 -2.82 -0.04 0.00 -0.44 0.00 0.00 34.13 30.91 1n6f s GLU 668 CO 0.06 0.44 -0.20 1.03 0.95 0.00 0.00 175.26 177.54 1n6f s ARG 669 N -2.53 1.36 -0.11 -4.83 0.52 -0.14 -4.94 118.95 108.29 1n6f s ARG 669 Ca 0.41 -1.45 -0.19 0.00 -0.52 0.00 0.00 55.73 53.98 1n6f s ARG 669 Cb -0.12 -1.50 -0.04 0.00 0.52 0.00 0.00 34.95 33.80 1n6f s ARG 669 CO 0.22 0.31 0.51 0.99 0.02 0.00 0.00 175.30 177.35 1n6f s THR 670 N -1.93 5.17 -0.23 0.02 2.01 -1.26 -1.32 115.64 118.09 1n6f s THR 670 Ca 0.18 1.02 -0.27 0.00 0.31 0.00 0.00 61.69 62.93 1n6f s THR 670 Cb -0.06 -3.85 0.00 0.00 0.01 0.00 0.00 72.50 68.60 1n6f s THR 670 CO 0.08 0.31 0.93 -0.69 -0.69 0.00 0.00 174.62 174.57 1n6f s VAL 671 N 0.66 4.76 -0.12 3.82 1.01 -0.14 -4.67 120.40 125.72 1n6f s VAL 671 Ca 0.28 1.80 -0.03 0.00 0.00 0.00 0.00 61.98 64.03 1n6f s VAL 671 Cb -0.15 -4.21 -0.03 0.00 0.00 0.00 0.00 36.38 31.98 1n6f s VAL 671 CO 0.11 -0.12 -0.01 -1.61 0.00 0.00 0.00 175.10 173.47 1n6f s GLU 672 N 3.00 3.28 0.00 2.72 0.41 -0.28 -4.61 118.70 123.22 1n6f s GLU 672 Ca 0.40 -0.44 0.00 0.00 -0.41 0.00 0.00 54.97 54.51 1n6f s GLU 672 Cb -0.15 -2.86 0.00 0.00 -1.78 0.00 0.00 34.13 29.34 1n6f s GLU 672 CO 0.07 0.52 0.00 0.25 -0.49 0.00 0.00 175.26 175.61 1n6f n THR 673 N 2.71 0.00 1.04 3.63 -2.24 -1.26 -3.01 114.28 115.15 1n6f n THR 673 Ca -0.18 -0.17 0.02 0.00 -2.27 0.00 0.00 64.05 61.46 1n6f n THR 673 Cb 0.53 0.91 0.08 0.00 -2.10 0.00 0.00 70.33 69.75 1n6f n THR 673 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1n6f n ASP 674 N -0.40 1.47 -0.01 3.42 8.00 -1.26 -3.90 116.55 123.87 1n6f n ASP 674 Ca 0.00 -2.10 -0.16 0.00 0.71 0.00 0.00 54.79 53.24 1n6f n ASP 674 Cb 0.00 -0.31 -0.10 0.00 -0.02 0.00 0.00 41.12 40.68 1n6f n ASP 674 CO 0.00 0.00 0.00 0.11 -0.39 0.00 0.00 177.20 176.92 1n6f h LYS 675 N 0.97 0.36 -5.10 -1.24 1.79 -1.87 -3.43 116.57 108.07 1n6f h LYS 675 Ca 0.00 -0.35 -0.62 0.00 -2.18 0.00 0.00 60.65 57.50 1n6f h LYS 675 Cb 0.51 0.09 -0.16 0.00 -1.58 0.00 0.00 32.23 31.10 1n6f h LYS 675 CO 0.05 1.01 -0.52 0.50 -1.08 0.00 0.00 179.45 179.41 1n6f s ARG 676 N -3.37 4.02 0.74 3.15 3.52 -1.25 -5.08 118.95 120.67 1n6f s ARG 676 Ca -0.14 -0.30 -0.14 0.00 -0.13 0.00 0.00 55.73 55.02 1n6f s ARG 676 Cb 0.03 -3.48 0.05 0.00 -1.56 0.00 0.00 34.95 29.99 1n6f s ARG 676 CO 0.80 0.06 1.18 -2.14 -0.81 0.00 0.00 175.30 174.39 1n6f s PRO 677 N 1.03 2.12 -0.23 5.12 0.02 -1.26 -4.69 135.00 137.12 1n6f s PRO 677 Ca 0.07 1.65 -0.18 0.00 0.02 0.00 0.00 61.00 62.56 1n6f s PRO 677 Cb -0.14 -1.84 -0.03 0.00 0.02 0.00 0.00 34.50 32.51 1n6f s PRO 677 CO 0.04 -1.82 0.50 -1.17 -0.33 0.00 0.00 177.00 174.22 1n6f s LEU 678 N -5.30 4.10 -0.18 -5.54 2.96 0.92 -4.91 118.68 110.74 1n6f s LEU 678 Ca 0.72 0.58 -0.04 0.00 -0.22 0.00 0.00 54.13 55.17 1n6f s LEU 678 Cb -0.26 -2.66 -0.02 0.00 0.50 0.00 0.00 46.19 43.74 1n6f s LEU 678 CO 0.47 -0.22 -0.02 -0.69 -1.32 0.00 0.00 176.35 174.57 1n6f s VAL 679 N 1.90 3.84 0.27 1.68 1.01 -1.26 -0.17 120.40 127.66 1n6f s VAL 679 Ca 0.22 -0.36 -0.09 0.00 0.00 0.00 0.00 61.98 61.75 1n6f s VAL 679 Cb -0.15 -2.71 -0.01 0.00 0.00 0.00 0.00 36.38 33.51 1n6f s VAL 679 CO 0.09 0.46 0.44 -0.94 0.00 0.00 0.00 175.10 175.15 1n6f s SER 680 N 0.75 0.16 -0.20 3.32 1.04 -0.55 -5.00 113.70 113.23 1n6f s SER 680 Ca -0.01 -1.12 -0.03 0.00 0.48 0.00 0.00 55.95 55.27 1n6f s SER 680 Cb -0.14 0.58 -0.01 0.00 0.10 0.00 0.00 66.02 66.55 1n6f s SER 680 CO 0.02 -1.15 -0.06 -0.55 0.98 0.00 0.00 173.24 172.48 1n6f s SER 681 N -3.09 4.30 0.13 7.02 0.15 -1.26 -0.01 113.70 120.94 1n6f s SER 681 Ca 0.26 -0.35 -0.25 0.00 0.70 0.00 0.00 55.95 56.31 1n6f s SER 681 Cb 0.00 -1.72 -0.02 0.00 -1.71 0.00 0.00 66.02 62.57 1n6f s SER 681 CO 0.12 0.03 1.62 0.40 1.20 0.00 0.00 173.24 176.61 1n6f h ILE 682 N 5.59 0.34 -0.57 6.45 2.04 -1.65 -0.96 117.51 128.75 1n6f h ILE 682 Ca -0.38 0.00 -0.05 0.00 1.00 0.00 0.00 64.86 65.44 1n6f h ILE 682 Cb 1.17 0.34 -0.03 0.00 -0.74 0.00 0.00 36.82 37.57 1n6f h ILE 682 CO 0.60 0.00 0.16 1.12 0.00 0.00 0.00 178.15 180.03 1n6f h HIS 683 N -0.38 0.89 -0.23 1.37 2.07 -1.91 0.16 115.15 117.13 1n6f h HIS 683 Ca 0.09 -0.08 -0.13 0.00 -2.85 0.00 0.00 60.37 57.40 1n6f h HIS 683 Cb 0.51 -0.26 -0.01 0.00 2.57 0.00 0.00 27.41 30.22 1n6f h HIS 683 CO -0.37 0.73 -0.41 1.05 -3.07 0.00 0.00 177.93 175.87 1n6f h GLU 684 N 0.84 0.54 -0.22 5.12 4.11 -1.90 -0.98 114.58 122.09 1n6f h GLU 684 Ca 0.19 -0.27 -0.07 0.00 0.07 0.00 0.00 59.36 59.28 1n6f h GLU 684 Cb 0.27 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.52 1n6f h GLU 684 CO -0.01 0.85 -0.13 0.93 0.07 0.00 0.00 179.01 180.73 1n6f h GLU 685 N 0.44 0.48 -0.59 1.06 5.08 -0.74 -1.33 114.58 118.98 1n6f h GLU 685 Ca 0.04 -0.22 0.05 0.00 -1.00 0.00 0.00 59.36 58.23 1n6f h GLU 685 Cb 0.90 -0.01 -0.05 0.00 0.50 0.00 0.00 28.75 30.09 1n6f h GLU 685 CO 0.08 0.77 0.31 0.74 -1.00 0.00 0.00 179.01 179.91 1n6f h PHE 686 N 0.19 0.56 -0.70 4.33 -1.00 -0.55 0.65 116.94 120.42 1n6f h PHE 686 Ca 0.05 0.02 -0.06 0.00 2.81 0.00 0.00 57.97 60.79 1n6f h PHE 686 Cb 0.64 -0.16 -0.03 0.00 3.61 0.00 0.00 35.95 40.01 1n6f h PHE 686 CO 0.07 0.26 0.19 -0.07 -1.61 0.00 0.00 178.31 177.14 1n6f h LEU 687 N 0.57 1.05 0.13 1.54 3.38 -1.10 0.74 115.31 121.63 1n6f h LEU 687 Ca 0.26 -0.21 -0.01 0.00 0.09 0.00 0.00 57.88 58.01 1n6f h LEU 687 Cb 0.18 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 40.65 1n6f h LEU 687 CO -0.18 1.00 -0.06 -0.61 0.09 0.00 0.00 178.44 178.67 1n6f h GLN 688 N 1.06 -0.17 -0.92 1.13 -0.00 0.04 -2.11 115.11 114.14 1n6f h GLN 688 Ca 0.22 0.01 0.02 0.00 -0.00 0.00 0.00 58.65 58.90 1n6f h GLN 688 Cb 0.35 0.04 -0.05 0.00 0.00 0.00 0.00 27.48 27.82 1n6f h GLN 688 CO -0.00 0.01 0.61 0.52 0.00 0.00 0.00 178.83 179.97 1n6f h MET 689 N -0.32 1.19 0.75 1.69 2.86 0.48 -2.23 114.93 119.35 1n6f h MET 689 Ca -0.02 -0.07 -0.04 0.00 -2.06 0.00 0.00 59.70 57.51 1n6f h MET 689 Cb 0.26 -0.27 0.01 0.00 0.06 0.00 0.00 31.60 31.66 1n6f h MET 689 CO 0.03 0.79 -0.36 -0.92 1.06 0.00 0.00 176.91 177.51 1n6f h TYR 690 N 1.23 -0.93 -0.98 -0.22 3.20 -0.76 -0.70 116.97 117.80 1n6f h TYR 690 Ca 0.35 -0.02 0.23 0.00 3.14 0.00 0.00 58.73 62.42 1n6f h TYR 690 Cb -0.10 0.31 -0.09 0.00 1.54 0.00 0.00 36.73 38.39 1n6f h TYR 690 CO -0.01 -0.58 0.63 -0.44 -1.64 0.00 0.00 178.16 176.13 1n6f h ASP 691 N -1.02 0.50 -0.03 -2.11 3.45 -1.20 0.94 116.42 116.95 1n6f h ASP 691 Ca -0.10 0.07 -0.03 0.00 0.43 0.00 0.00 57.03 57.40 1n6f h ASP 691 Cb 0.77 -0.02 0.00 0.00 -0.56 0.00 0.00 39.33 39.53 1n6f h ASP 691 CO 0.17 0.15 -0.09 -0.08 -1.57 0.00 0.00 179.24 177.82 1n6f h GLU 692 N 0.48 0.11 -0.56 3.56 4.81 -1.09 0.11 114.58 122.00 1n6f h GLU 692 Ca 0.55 -0.08 0.09 0.00 -0.13 0.00 0.00 59.36 59.79 1n6f h GLU 692 Cb 1.26 0.01 -0.07 0.00 0.63 0.00 0.00 28.75 30.58 1n6f h GLU 692 CO -0.27 0.71 0.15 0.00 -0.73 0.00 0.00 179.01 178.87 1n6f h ALA 693 N 0.40 0.67 -0.60 2.92 0.00 0.02 0.40 119.26 123.07 1n6f h ALA 693 Ca -0.00 0.10 -0.04 0.00 0.00 0.00 0.00 54.91 54.97 1n6f h ALA 693 Cb 0.72 0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.60 1n6f h ALA 693 CO 0.02 -0.27 0.23 2.35 0.00 0.00 0.00 179.25 181.58 1n6f h TRP 694 N 0.30 0.93 -0.29 0.00 7.01 -0.84 -1.39 115.95 121.68 1n6f h TRP 694 Ca 0.28 -0.08 -0.11 0.00 2.11 0.00 0.00 58.89 61.10 1n6f h TRP 694 Cb 0.38 -0.28 -0.01 0.00 -2.10 0.00 0.00 29.16 27.15 1n6f h TRP 694 CO -0.21 0.75 -0.29 -0.22 -2.79 0.00 0.00 178.44 175.68 1n6f h LYS 695 N 0.84 0.58 -0.27 2.65 3.64 0.12 -2.67 116.57 121.47 1n6f h LYS 695 Ca 0.20 -0.25 -0.10 0.00 -1.27 0.00 0.00 60.65 59.23 1n6f h LYS 695 Cb 0.22 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.02 1n6f h LYS 695 CO -0.01 0.81 -0.22 -0.07 -2.27 0.00 0.00 179.45 177.68 1n6f h LEU 696 N 0.51 0.67 -1.31 5.20 3.38 -0.13 -0.29 115.31 123.33 1n6f h LEU 696 Ca 0.07 -0.45 0.09 0.00 0.09 0.00 0.00 57.88 57.68 1n6f h LEU 696 Cb 0.75 -0.19 -0.06 0.00 0.09 0.00 0.00 40.66 41.26 1n6f h LEU 696 CO 0.06 0.98 0.53 0.00 0.09 0.00 0.00 178.44 180.10 1n6f h ALA 697 N 0.71 1.73 0.14 1.53 0.00 -1.14 0.19 119.26 122.42 1n6f h ALA 697 Ca 0.05 -0.01 -0.21 0.00 0.00 0.00 0.00 54.91 54.75 1n6f h ALA 697 Cb 0.77 -0.18 0.02 0.00 0.00 0.00 0.00 17.79 18.40 1n6f h ALA 697 CO 0.06 0.11 -0.93 -0.09 0.00 0.00 0.00 179.25 178.40 1n6f h ARG 698 N 0.77 0.30 0.00 0.00 2.43 -1.34 -2.88 114.38 113.66 1n6f h ARG 698 Ca 0.37 -0.52 0.00 0.00 -0.81 0.00 0.00 59.98 59.03 1n6f h ARG 698 Cb 0.43 0.19 0.00 0.00 -0.42 0.00 0.00 29.97 30.17 1n6f h ARG 698 CO -0.15 1.25 0.00 -0.44 -1.51 0.00 0.00 179.97 179.12 1n6f h ASP 699 N -0.34 0.00 -0.01 -3.80 3.45 -0.68 -3.24 116.42 111.80 1n6f h ASP 699 Ca -0.17 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.29 1n6f h ASP 699 Cb 1.68 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 40.45 1n6f h ASP 699 CO 0.14 0.00 -0.27 0.59 -1.57 0.00 0.00 179.24 178.14 1n6f n ASN 700 N -3.06 1.11 -4.69 6.45 3.02 0.63 -5.01 115.26 113.71 1n6f n ASN 700 Ca 0.01 -1.05 -0.44 0.00 -0.03 0.00 0.00 54.58 53.06 1n6f n ASN 700 Cb 0.31 0.57 -0.02 0.00 -0.61 0.00 0.00 39.78 40.02 1n6f n ASN 700 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1n6f n TYR 701 N -0.42 2.28 -0.28 3.10 9.36 -1.09 -3.72 117.16 126.39 1n6f n TYR 701 Ca 0.04 0.43 0.05 0.00 3.32 0.00 0.00 57.90 61.75 1n6f n TYR 701 Cb 0.21 -2.47 0.20 0.00 -0.63 0.00 0.00 39.34 36.65 1n6f n TYR 701 CO 0.00 0.00 0.00 0.11 0.22 0.00 0.00 176.86 177.19 1n6f h TRP 702 N 3.96 0.72 -3.00 2.98 5.08 -1.10 -3.35 115.95 121.25 1n6f h TRP 702 Ca -0.45 0.03 -0.72 0.00 1.08 0.00 0.00 58.89 58.83 1n6f h TRP 702 Cb 1.27 -0.20 -0.21 0.00 -3.00 0.00 0.00 29.16 27.02 1n6f h TRP 702 CO 0.56 0.19 0.11 1.21 -1.28 0.00 0.00 178.44 179.23 1n6f s ASN 703 N -5.45 6.28 0.25 0.11 3.04 -1.26 -4.93 114.94 112.99 1n6f s ASN 703 Ca -0.12 -1.68 -0.02 0.00 0.04 0.00 0.00 52.86 51.07 1n6f s ASN 703 Cb 0.21 -2.28 0.51 0.00 -1.54 0.00 0.00 41.25 38.14 1n6f s ASN 703 CO 0.78 -1.01 1.74 -0.08 -3.04 0.00 0.00 177.10 175.48 1n6f h GLU 704 N 8.95 0.48 0.29 0.43 4.81 -1.94 -2.53 114.58 125.08 1n6f h GLU 704 Ca -0.22 -0.03 -0.01 0.00 -0.13 0.00 0.00 59.36 58.98 1n6f h GLU 704 Cb 1.08 -0.11 -0.02 0.00 0.63 0.00 0.00 28.75 30.33 1n6f h GLU 704 CO 1.05 0.32 -0.36 0.00 -0.73 0.00 0.00 179.01 179.30 1n6f h ALA 705 N 1.57 -0.99 -0.76 2.92 0.00 -1.95 -2.79 119.26 117.25 1n6f h ALA 705 Ca 0.44 -0.12 0.18 0.00 0.00 0.00 0.00 54.91 55.41 1n6f h ALA 705 Cb 0.68 0.63 -0.05 0.00 0.00 0.00 0.00 17.79 19.05 1n6f h ALA 705 CO -0.40 -1.03 0.52 0.28 0.00 0.00 0.00 179.25 178.62 1n6f h VAL 706 N -0.66 0.72 0.24 0.00 2.07 -1.95 -2.89 116.25 113.78 1n6f h VAL 706 Ca -0.04 -0.09 0.01 0.00 0.82 0.00 0.00 66.70 67.40 1n6f h VAL 706 Cb 0.59 0.42 -0.03 0.00 -1.52 0.00 0.00 31.29 30.75 1n6f h VAL 706 CO -0.08 0.05 -0.33 0.00 0.02 0.00 0.00 177.57 177.23 1n6f h ALA 707 N 1.64 -0.65 -0.87 1.67 0.00 -1.17 0.87 119.26 120.75 1n6f h ALA 707 Ca 0.38 -0.09 0.23 0.00 0.00 0.00 0.00 54.91 55.43 1n6f h ALA 707 Cb 1.07 0.51 -0.13 0.00 0.00 0.00 0.00 17.79 19.23 1n6f h ALA 707 CO -0.09 -0.91 0.27 -0.22 0.00 0.00 0.00 179.25 178.30 1n6f h LYS 708 N -0.63 0.25 0.01 0.00 3.64 -1.49 0.26 116.57 118.61 1n6f h LYS 708 Ca 0.00 -0.02 -0.00 0.00 -1.27 0.00 0.00 60.65 59.37 1n6f h LYS 708 Cb 0.61 -0.06 0.00 0.00 -0.41 0.00 0.00 32.23 32.37 1n6f h LYS 708 CO -0.12 0.17 -0.01 1.49 -2.27 0.00 0.00 179.45 178.71 1n6f h GLU 709 N 0.26 -0.02 -0.08 1.90 4.22 -1.59 -3.14 114.58 116.13 1n6f h GLU 709 Ca 0.54 0.00 0.02 0.00 0.08 0.00 0.00 59.36 60.00 1n6f h GLU 709 Cb 1.07 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.31 1n6f h GLU 709 CO -0.61 0.74 -0.03 0.82 -2.18 0.00 0.00 179.01 177.76 1n6f h ILE 710 N -0.83 0.90 0.62 2.32 1.08 -0.29 -2.24 117.51 119.08 1n6f h ILE 710 Ca -0.00 0.00 -0.02 0.00 -0.39 0.00 0.00 64.86 64.45 1n6f h ILE 710 Cb 0.77 0.90 -0.01 0.00 -3.07 0.00 0.00 36.82 35.41 1n6f h ILE 710 CO 0.00 0.00 -0.50 0.77 -0.69 0.00 0.00 178.15 177.73 1n6f h SER 711 N -0.01 -1.33 -0.06 1.72 4.64 -0.65 -2.34 113.55 115.52 1n6f h SER 711 Ca 0.04 0.09 0.02 0.00 -0.47 0.00 0.00 61.79 61.47 1n6f h SER 711 Cb 0.07 0.42 -0.00 0.00 -0.31 0.00 0.00 62.40 62.58 1n6f h SER 711 CO -0.09 -0.70 0.09 -0.33 -0.87 0.00 0.00 176.83 174.93 1n6f h GLU 712 N -1.09 0.00 0.00 4.77 5.08 -1.55 -1.45 114.58 120.34 1n6f h GLU 712 Ca -0.08 0.00 -0.15 0.00 -1.00 0.00 0.00 59.36 58.13 1n6f h GLU 712 Cb 0.91 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.14 1n6f h GLU 712 CO 0.01 0.00 -0.87 -0.09 -1.00 0.00 0.00 179.01 177.06 1n6f h ARG 713 N 0.00 0.00 0.00 2.33 2.43 -1.08 -3.37 114.38 114.68 1n6f h ARG 713 Ca 0.03 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.20 1n6f h ARG 713 Cb 0.21 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.76 1n6f h ARG 713 CO -0.00 0.55 -1.28 0.44 -1.51 0.00 0.00 179.97 178.17 1n6f n ILE 714 N -3.16 0.00 -0.00 1.20 -5.35 -0.80 -4.71 119.36 106.54 1n6f n ILE 714 Ca -0.02 -0.27 -0.04 0.00 -0.27 0.00 0.00 62.75 62.15 1n6f n ILE 714 Cb 0.81 0.51 -0.03 0.00 -1.74 0.00 0.00 39.64 39.19 1n6f n ILE 714 CO 0.00 0.00 0.00 0.22 -1.76 0.00 0.00 176.55 175.01 1n6f h TYR 715 N 0.00 -0.47 -0.29 4.28 5.03 -1.46 -2.78 116.97 121.28 1n6f h TYR 715 Ca 0.00 0.02 0.06 0.00 2.58 0.00 0.00 58.73 61.38 1n6f h TYR 715 Cb 0.55 0.21 -0.05 0.00 1.55 0.00 0.00 36.73 38.99 1n6f h TYR 715 CO 0.00 -0.16 -0.05 1.49 -1.32 0.00 0.00 178.16 178.12 1n6f h GLU 716 N -0.17 0.03 -0.66 1.82 4.81 -1.85 -0.82 114.58 117.73 1n6f h GLU 716 Ca 0.01 -0.00 0.14 0.00 -0.13 0.00 0.00 59.36 59.38 1n6f h GLU 716 Cb 0.20 -0.01 -0.12 0.00 0.63 0.00 0.00 28.75 29.46 1n6f h GLU 716 CO -0.13 0.02 -0.07 -0.22 -0.73 0.00 0.00 179.01 177.88 1n6f h LYS 717 N 0.03 0.06 0.00 1.92 3.64 -1.82 -1.77 116.57 118.62 1n6f h LYS 717 Ca 0.14 -0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.49 1n6f h LYS 717 Cb 0.20 -0.01 -0.00 0.00 -0.41 0.00 0.00 32.23 32.01 1n6f h LYS 717 CO -0.28 0.04 -0.66 1.88 -2.27 0.00 0.00 179.45 178.17 1n6f h TYR 718 N 0.06 0.00 -0.03 1.91 -1.99 -1.28 -3.30 116.97 112.33 1n6f h TYR 718 Ca 0.34 0.00 -0.10 0.00 2.00 0.00 0.00 58.73 60.96 1n6f h TYR 718 Cb 0.55 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 39.27 1n6f h TYR 718 CO -0.45 0.08 -0.46 -0.09 -0.00 0.00 0.00 178.16 177.24 1n6f h ARG 719 N 0.00 0.08 0.00 4.88 2.43 -0.30 -2.70 114.38 118.77 1n6f h ARG 719 Ca -0.01 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.12 1n6f h ARG 719 Cb 1.07 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.62 1n6f h ARG 719 CO 0.01 0.53 0.00 0.09 -1.51 0.00 0.00 179.97 179.08 1n6f n ASN 720 N -3.99 0.01 0.04 -3.80 3.02 -0.90 -2.22 115.26 107.43 1n6f n ASN 720 Ca -0.02 0.50 0.11 0.00 -0.03 0.00 0.00 54.58 55.15 1n6f n ASN 720 Cb 0.49 -0.51 -0.09 0.00 -0.61 0.00 0.00 39.78 39.07 1n6f n ASN 720 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 1n6f n LEU 721 N -1.51 0.39 -0.15 3.41 4.77 -1.02 -4.44 117.00 118.45 1n6f n LEU 721 Ca 0.03 0.15 -0.05 0.00 -0.03 0.00 0.00 56.01 56.11 1n6f n LEU 721 Cb 0.16 -0.03 0.01 0.00 -2.33 0.00 0.00 43.42 41.23 1n6f n LEU 721 CO 0.13 -0.08 0.68 0.58 -1.33 0.00 0.00 177.39 177.36 1n6f h VAL 722 N 0.00 0.31 0.00 4.08 2.07 -1.49 0.11 116.25 121.32 1n6f h VAL 722 Ca -0.00 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.52 1n6f h VAL 722 Cb 1.01 0.31 0.00 0.00 -1.52 0.00 0.00 31.29 31.08 1n6f h VAL 722 CO 0.00 0.00 0.02 -0.81 0.02 0.00 0.00 177.57 176.80 1n6f n PRO 723 N -5.41 0.09 0.06 1.57 -0.04 -1.26 0.10 135.00 130.10 1n6f n PRO 723 Ca 0.03 0.58 0.12 0.00 -0.04 0.00 0.00 63.50 64.19 1n6f n PRO 723 Cb 0.32 -1.81 0.19 0.00 -0.04 0.00 0.00 33.50 32.17 1n6f n PRO 723 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1n6f n LEU 724 N -1.97 0.68 -4.67 1.53 4.77 0.37 -4.83 117.00 112.87 1n6f n LEU 724 Ca -0.01 0.23 -0.43 0.00 -0.03 0.00 0.00 56.01 55.78 1n6f n LEU 724 Cb 0.04 -0.20 -0.02 0.00 -2.33 0.00 0.00 43.42 40.91 1n6f n LEU 724 CO 0.06 -0.05 0.87 0.00 -1.33 0.00 0.00 177.39 176.95 1n6f n LYS 726 N 5.67 1.30 -4.41 0.00 4.01 -1.26 -4.90 118.16 118.57 1n6f n LYS 726 Ca 0.11 -0.05 -0.26 0.00 -0.51 0.00 0.00 58.31 57.59 1n6f n LYS 726 Cb 0.47 -1.25 -0.09 0.00 -0.51 0.00 0.00 35.03 33.65 1n6f n LYS 726 CO 0.00 0.00 0.00 0.95 -1.11 0.00 0.00 177.40 177.24 1n6f s THR 727 N -2.50 2.19 0.13 -0.18 -4.23 -1.26 -5.00 115.64 104.79 1n6f s THR 727 Ca -0.04 -1.90 -0.17 0.00 -1.18 0.00 0.00 61.69 58.39 1n6f s THR 727 Cb 0.05 -2.95 -0.02 0.00 1.34 0.00 0.00 72.50 70.91 1n6f s THR 727 CO 0.42 -0.04 1.69 -0.09 -0.54 0.00 0.00 174.62 176.07 1n6f h ARG 728 N 1.67 0.51 -0.73 3.99 9.65 -1.87 -2.47 114.38 125.13 1n6f h ARG 728 Ca -0.43 -0.08 0.06 0.00 -1.10 0.00 0.00 59.98 58.42 1n6f h ARG 728 Cb 1.25 -0.09 -0.06 0.00 -1.39 0.00 0.00 29.97 29.68 1n6f h ARG 728 CO 0.75 0.48 0.43 -0.92 2.80 0.00 0.00 179.97 183.50 1n6f h TYR 729 N 0.42 0.80 0.07 2.20 3.20 -1.91 -0.60 116.97 121.15 1n6f h TYR 729 Ca 0.12 0.03 0.02 0.00 3.14 0.00 0.00 58.73 62.04 1n6f h TYR 729 Cb 0.14 -0.25 -0.05 0.00 1.54 0.00 0.00 36.73 38.11 1n6f h TYR 729 CO -0.01 0.40 -0.36 -0.44 -1.64 0.00 0.00 178.16 176.10 1n6f h ASP 730 N 0.80 -1.07 -0.98 -2.11 3.45 -1.85 -0.88 116.42 113.77 1n6f h ASP 730 Ca 0.32 0.13 0.17 0.00 0.43 0.00 0.00 57.03 58.07 1n6f h ASP 730 Cb 0.16 0.41 -0.10 0.00 -0.56 0.00 0.00 39.33 39.24 1n6f h ASP 730 CO -0.17 -0.43 0.59 0.25 -1.57 0.00 0.00 179.24 177.91 1n6f h LEU 731 N -0.56 0.78 -0.22 1.55 6.46 -1.06 0.75 115.31 123.02 1n6f h LEU 731 Ca 0.04 0.08 0.01 0.00 -0.12 0.00 0.00 57.88 57.90 1n6f h LEU 731 Cb 0.62 -0.06 -0.02 0.00 -0.73 0.00 0.00 40.66 40.47 1n6f h LEU 731 CO -0.24 0.32 0.11 -1.28 -0.62 0.00 0.00 178.44 176.72 1n6f h SER 732 N 0.80 0.16 -0.93 1.25 0.87 -0.00 0.63 113.55 116.32 1n6f h SER 732 Ca 0.54 0.01 0.13 0.00 -1.23 0.00 0.00 61.79 61.24 1n6f h SER 732 Cb 0.76 -0.02 -0.09 0.00 -0.44 0.00 0.00 62.40 62.61 1n6f h SER 732 CO -0.35 0.12 0.55 0.78 -0.53 0.00 0.00 176.83 177.40 1n6f h ASN 733 N 0.23 0.77 0.05 6.23 4.21 0.44 0.11 115.58 127.63 1n6f h ASN 733 Ca 0.09 0.06 -0.00 0.00 1.21 0.00 0.00 56.30 57.66 1n6f h ASN 733 Cb 0.02 -0.08 0.00 0.00 -1.12 0.00 0.00 38.32 37.14 1n6f h ASN 733 CO -0.06 0.39 -0.03 0.58 -1.29 0.00 0.00 177.43 177.02 1n6f h VAL 734 N 0.84 1.26 -0.37 2.81 2.07 -0.91 -2.94 116.25 119.02 1n6f h VAL 734 Ca 0.48 -1.16 0.04 0.00 0.82 0.00 0.00 66.70 66.88 1n6f h VAL 734 Cb 0.54 2.01 -0.04 0.00 -1.52 0.00 0.00 31.29 32.29 1n6f h VAL 734 CO -0.30 0.29 0.14 0.40 0.02 0.00 0.00 177.57 178.12 1n6f h ILE 735 N -0.60 0.90 -0.56 4.57 2.04 -0.26 -2.17 117.51 121.44 1n6f h ILE 735 Ca -0.01 -0.10 0.03 0.00 1.00 0.00 0.00 64.86 65.78 1n6f h ILE 735 Cb 0.52 0.58 -0.04 0.00 -0.74 0.00 0.00 36.82 37.15 1n6f h ILE 735 CO 0.01 0.05 0.33 0.58 0.00 0.00 0.00 178.15 179.13 1n6f h VAL 736 N 0.30 1.05 -0.57 1.67 2.07 -0.90 0.15 116.25 120.01 1n6f h VAL 736 Ca 0.17 -0.23 0.02 0.00 0.82 0.00 0.00 66.70 67.48 1n6f h VAL 736 Cb 0.14 0.34 -0.03 0.00 -1.52 0.00 0.00 31.29 30.21 1n6f h VAL 736 CO -0.16 0.12 0.38 -0.33 0.02 0.00 0.00 177.57 177.59 1n6f h GLU 737 N 0.66 0.69 0.00 1.57 4.39 -1.28 -0.34 114.58 120.26 1n6f h GLU 737 Ca 0.23 -0.04 -0.12 0.00 0.34 0.00 0.00 59.36 59.76 1n6f h GLU 737 Cb 0.03 -0.16 -0.02 0.00 -0.10 0.00 0.00 28.75 28.51 1n6f h GLU 737 CO -0.10 0.46 -0.58 0.00 -1.16 0.00 0.00 179.01 177.63 1n6f h MET 738 N 0.71 0.00 -0.25 2.33 -0.00 -0.70 -3.04 114.93 113.98 1n6f h MET 738 Ca 0.22 0.00 -0.15 0.00 -0.00 0.00 0.00 59.70 59.77 1n6f h MET 738 Cb 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 31.60 31.60 1n6f h MET 738 CO -0.05 0.58 -0.46 1.96 -0.00 0.00 0.00 176.91 178.93 1n6f h GLN 739 N 0.00 0.66 0.00 -0.10 4.20 0.47 -2.71 115.11 117.63 1n6f h GLN 739 Ca -0.01 -0.37 -0.00 0.00 0.06 0.00 0.00 58.65 58.33 1n6f h GLN 739 Cb 1.32 0.02 -0.00 0.00 0.30 0.00 0.00 27.48 29.12 1n6f h GLN 739 CO 0.07 0.98 -0.00 0.78 -0.67 0.00 0.00 178.83 180.00 1n6f h GLY 740 N 0.97 0.00 2.00 3.46 0.00 -1.01 -1.90 103.07 106.59 1n6f h GLY 740 Ca 0.03 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.36 1n6f h GLY 740 CO 0.09 0.00 -0.00 0.83 0.00 0.00 0.00 176.54 177.46 1n6f h GLU 741 N 0.00 0.00 -0.00 4.80 4.39 -1.48 0.70 114.58 122.99 1n6f h GLU 741 Ca -0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1n6f h GLU 741 Cb 0.00 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.65 1n6f h GLU 741 CO 0.00 0.00 -0.00 0.66 -1.16 0.00 0.00 179.01 178.51 1n6f n TYR 742 N -3.11 0.00 -4.39 4.33 4.02 -0.72 -4.91 117.16 112.38 1n6f n TYR 742 Ca -0.03 0.00 -0.38 0.00 -0.01 0.00 0.00 57.90 57.49 1n6f n TYR 742 Cb 0.09 -0.02 -0.07 0.00 -0.02 0.00 0.00 39.34 39.32 1n6f n TYR 742 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 176.86 176.39 1n6f n ARG 743 N -0.85 -1.44 -4.23 -0.72 1.74 0.21 -4.91 116.66 106.46 1n6f n ARG 743 Ca 0.22 0.19 -0.13 0.00 -0.77 0.00 0.00 57.85 57.37 1n6f n ARG 743 Cb 0.16 -4.52 -0.10 0.00 -1.02 0.00 0.00 32.46 26.97 1n6f n ARG 743 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 1n6f s THR 744 N -3.57 0.53 0.91 0.55 2.01 -1.26 -4.89 115.64 109.92 1n6f s THR 744 Ca 0.57 -1.97 -0.15 0.00 0.31 0.00 0.00 61.69 60.45 1n6f s THR 744 Cb -0.33 -2.14 0.21 0.00 0.01 0.00 0.00 72.50 70.25 1n6f s THR 744 CO 0.99 -0.43 1.13 -1.54 -0.69 0.00 0.00 174.62 174.08 1n6f n SER 745 N -0.22 -0.32 -2.89 3.53 3.41 -1.26 -4.43 113.62 111.44 1n6f n SER 745 Ca -0.06 -1.36 -0.18 0.00 -0.26 0.00 0.00 58.87 57.02 1n6f n SER 745 Cb 0.64 -0.90 -0.00 0.00 -0.26 0.00 0.00 64.21 63.69 1n6f n SER 745 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 1n6f n HIS 746 N -3.81 -1.64 -3.52 7.33 8.25 -1.26 -4.39 115.22 116.18 1n6f n HIS 746 Ca 0.14 0.25 -0.41 0.00 -0.26 0.00 0.00 57.72 57.45 1n6f n HIS 746 Cb 0.51 -2.98 -0.05 0.00 1.12 0.00 0.00 29.99 28.60 1n6f n HIS 746 CO 0.00 0.00 0.00 -1.12 0.64 0.00 0.00 176.34 175.86 1n6f s SER 747 N -2.39 6.31 0.45 0.41 0.01 -1.26 -3.51 113.70 113.72 1n6f s SER 747 Ca 0.20 -3.29 0.08 0.00 1.31 0.00 0.00 55.95 54.25 1n6f s SER 747 Cb -0.10 -2.03 0.00 0.00 0.21 0.00 0.00 66.02 64.10 1n6f s SER 747 CO 0.24 -0.33 0.45 -0.31 0.41 0.00 0.00 173.24 173.71 1n6f s TYR 748 N -0.73 2.48 -0.12 2.43 4.12 -1.24 -4.89 117.35 119.39 1n6f s TYR 748 Ca 0.24 -0.54 -0.04 0.00 0.02 0.00 0.00 57.07 56.75 1n6f s TYR 748 Cb -0.11 -2.18 0.06 0.00 -1.52 0.00 0.00 41.96 38.20 1n6f s TYR 748 CO -0.09 -0.31 0.13 -2.00 0.02 0.00 0.00 175.55 173.30 1n6f s GLU 749 N -4.24 0.05 0.13 -0.62 2.12 -1.26 -1.19 118.70 113.69 1n6f s GLU 749 Ca 0.49 0.28 0.05 0.00 0.36 0.00 0.00 54.97 56.15 1n6f s GLU 749 Cb -0.04 -0.93 -0.04 0.00 0.26 0.00 0.00 34.13 33.38 1n6f s GLU 749 CO 0.29 -0.48 -0.11 -1.64 -0.54 0.00 0.00 175.26 172.78 1n6f s MET 750 N 2.24 1.01 1.06 4.30 -1.94 -0.10 -4.58 119.30 121.29 1n6f s MET 750 Ca 0.04 -1.33 0.00 0.00 -1.71 0.00 0.00 55.69 52.69 1n6f s MET 750 Cb -0.14 -0.70 0.00 0.00 2.01 0.00 0.00 34.83 36.00 1n6f s MET 750 CO -0.07 0.11 0.00 0.41 -0.01 0.00 0.00 175.02 175.45 1n6f n GLY 751 N 0.17 -1.87 0.00 -0.03 0.00 -1.26 0.11 105.19 102.30 1n6f n GLY 751 Ca -0.13 -1.34 0.00 0.00 0.00 0.00 0.00 46.02 44.55 1n6f n GLY 751 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1n6f n GLY 752 N -0.29 0.40 3.28 -0.02 0.00 -1.26 -4.61 105.19 102.69 1n6f n GLY 752 Ca 0.00 -1.78 -0.37 0.00 0.00 0.00 0.00 46.02 43.87 1n6f n GLY 752 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1n6f s THR 753 N -2.58 3.73 -0.11 2.61 2.01 -1.25 -3.81 115.64 116.24 1n6f s THR 753 Ca 0.00 -1.08 0.17 0.00 0.31 0.00 0.00 61.69 61.09 1n6f s THR 753 Cb 0.00 -3.08 -0.24 0.00 0.01 0.00 0.00 72.50 69.19 1n6f s THR 753 CO 0.00 -0.12 0.20 0.49 -0.69 0.00 0.00 174.62 174.49 1n6f n PHE 754 N 4.80 0.00 -3.65 4.92 3.72 0.56 -4.81 117.46 123.01 1n6f n PHE 754 Ca -0.13 0.00 -0.12 0.00 -0.05 0.00 0.00 57.45 57.15 1n6f n PHE 754 Cb 0.45 -0.68 -0.06 0.00 -0.94 0.00 0.00 39.48 38.26 1n6f n PHE 754 CO 0.00 0.00 0.00 -0.08 -0.05 0.00 0.00 176.76 176.63 1n6f s THR 755 N -2.76 0.05 -1.79 4.37 -1.32 -1.24 -4.74 115.64 108.21 1n6f s THR 755 Ca -0.08 -0.45 0.18 0.00 -1.21 0.00 0.00 61.69 60.14 1n6f s THR 755 Cb 0.08 -0.99 0.57 0.00 -1.51 0.00 0.00 72.50 70.65 1n6f s THR 755 CO 0.73 -0.25 1.48 -0.90 -2.21 0.00 0.00 174.62 173.47 1n6f n ASP 756 N 0.36 3.58 -4.76 8.08 5.75 -1.26 -4.18 116.55 124.12 1n6f n ASP 756 Ca -0.18 -2.10 -0.40 0.00 -0.01 0.00 0.00 54.79 52.10 1n6f n ASP 756 Cb 0.61 -0.45 -0.06 0.00 -1.03 0.00 0.00 41.12 40.19 1n6f n ASP 756 CO 0.00 0.00 0.00 -0.54 -0.11 0.00 0.00 177.20 176.55 1n6f s LYS 757 N -1.33 4.73 0.38 0.11 -0.14 -1.26 -5.02 119.74 117.21 1n6f s LYS 757 Ca 0.43 1.35 -0.26 0.00 -1.36 0.00 0.00 55.97 56.13 1n6f s LYS 757 Cb 0.24 -3.29 -0.09 0.00 -1.68 0.00 0.00 37.83 33.01 1n6f s LYS 757 CO 0.27 0.50 1.14 -0.51 -0.76 0.00 0.00 175.35 175.99 1n6f s ASP 758 N -1.01 6.66 0.44 2.83 1.01 -1.26 -1.71 116.67 123.63 1n6f s ASP 758 Ca 0.40 2.30 -0.25 0.00 0.71 0.00 0.00 52.55 55.70 1n6f s ASP 758 Cb -0.25 -2.61 -0.09 0.00 1.01 0.00 0.00 42.92 40.98 1n6f s ASP 758 CO 0.29 -0.58 1.27 -0.81 0.21 0.00 0.00 175.17 175.55 1n6f n PRO 759 N 0.20 1.86 -1.74 8.23 -0.04 -1.26 -3.98 135.00 138.26 1n6f n PRO 759 Ca 0.04 0.66 -0.39 0.00 -0.04 0.00 0.00 63.50 63.77 1n6f n PRO 759 Cb 0.47 -2.40 0.03 0.00 -0.04 0.00 0.00 33.50 31.56 1n6f n PRO 759 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 1n6f n PHE 760 N -0.37 2.39 -4.26 0.54 3.72 -1.26 -4.87 117.46 113.35 1n6f n PHE 760 Ca 0.07 0.44 -0.26 0.00 -0.05 0.00 0.00 57.45 57.65 1n6f n PHE 760 Cb 0.41 -2.39 -0.08 0.00 -0.94 0.00 0.00 39.48 36.47 1n6f n PHE 760 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 176.76 177.74 1n6f s ARG 761 N -2.71 2.24 -0.08 -1.08 1.81 -1.26 -4.83 118.95 113.03 1n6f s ARG 761 Ca 0.68 -1.22 -0.04 0.00 -1.72 0.00 0.00 55.73 53.43 1n6f s ARG 761 Cb -0.43 -2.24 0.04 0.00 -0.45 0.00 0.00 34.95 31.87 1n6f s ARG 761 CO 0.52 0.43 0.19 0.45 -0.68 0.00 0.00 175.30 176.21 1n6f s SER 762 N -3.01 -0.14 -0.23 0.23 0.15 -1.26 -4.51 113.70 104.92 1n6f s SER 762 Ca 0.27 0.40 -0.20 0.00 0.70 0.00 0.00 55.95 57.13 1n6f s SER 762 Cb -0.09 0.30 -0.02 0.00 -1.71 0.00 0.00 66.02 64.50 1n6f s SER 762 CO 0.17 -0.16 0.59 -0.83 1.20 0.00 0.00 173.24 174.21 1n6f s GLY 763 N 1.27 1.93 -0.02 9.45 0.00 -1.24 -4.38 107.32 114.33 1n6f s GLY 763 Ca -0.09 -0.41 0.04 0.00 0.00 0.00 0.00 44.72 44.26 1n6f s GLY 763 CO -0.07 1.31 -0.14 0.50 0.00 0.00 0.00 173.10 174.70 1n6f s ARG 764 N 2.16 1.18 -0.09 2.90 3.00 0.55 -4.55 118.95 124.10 1n6f s ARG 764 Ca 0.26 -0.48 0.18 0.00 0.00 0.00 0.00 55.73 55.68 1n6f s ARG 764 Cb -0.16 -1.12 0.39 0.00 0.00 0.00 0.00 34.95 34.07 1n6f s ARG 764 CO 0.09 0.27 1.18 0.44 0.00 0.00 0.00 175.30 177.28 1n6f n ILE 765 N 2.86 0.99 -3.60 1.52 -0.00 -1.26 -0.13 119.36 119.73 1n6f n ILE 765 Ca -0.15 -1.91 -0.21 0.00 -0.00 0.00 0.00 62.75 60.48 1n6f n ILE 765 Cb 0.55 0.41 0.05 0.00 -0.00 0.00 0.00 39.64 40.64 1n6f n ILE 765 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 1n6f n ALA 766 N -0.28 -2.14 -2.66 -1.28 0.00 -1.26 -4.14 120.51 108.75 1n6f n ALA 766 Ca 0.11 -0.12 -0.09 0.00 0.00 0.00 0.00 53.44 53.34 1n6f n ALA 766 Cb 0.91 -2.76 -0.09 0.00 0.00 0.00 0.00 19.45 17.51 1n6f n ALA 766 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1n6f s ASP 768 N -2.21 4.69 -0.10 0.00 -0.00 0.44 -4.96 116.67 114.53 1n6f s ASP 768 Ca -0.04 -0.21 -0.04 0.00 -0.00 0.00 0.00 52.55 52.26 1n6f s ASP 768 Cb -0.00 -1.78 -0.04 0.00 -0.00 0.00 0.00 42.92 41.10 1n6f s ASP 768 CO -0.05 0.10 0.05 -0.36 -0.00 0.00 0.00 175.17 174.91 1n6f s PHE 769 N 0.78 3.31 -0.10 4.23 0.40 -1.26 0.28 117.98 125.62 1n6f s PHE 769 Ca -0.01 0.30 -0.00 0.00 -0.60 0.00 0.00 56.93 56.62 1n6f s PHE 769 Cb -0.14 -1.86 0.02 0.00 0.51 0.00 0.00 43.02 41.55 1n6f s PHE 769 CO 0.02 0.54 -0.08 0.21 0.70 0.00 0.00 175.22 176.61 1n6f s LYS 770 N -0.85 1.51 -0.59 0.44 2.20 -0.62 -4.83 119.74 116.99 1n6f s LYS 770 Ca 0.13 -0.26 -0.28 0.00 -0.36 0.00 0.00 55.97 55.20 1n6f s LYS 770 Cb -0.12 -1.53 0.01 0.00 -1.51 0.00 0.00 37.83 34.69 1n6f s LYS 770 CO 0.03 -0.22 1.42 -1.17 -0.36 0.00 0.00 175.35 175.04 1n6f s LEU 771 N 1.55 3.36 -0.29 5.43 1.98 -1.26 -0.98 118.68 128.46 1n6f s LEU 771 Ca 0.02 0.16 -0.01 0.00 -2.89 0.00 0.00 54.13 51.41 1n6f s LEU 771 Cb -0.13 -2.94 0.05 0.00 0.66 0.00 0.00 46.19 43.83 1n6f s LEU 771 CO -0.06 -1.77 -0.02 -0.62 -1.89 0.00 0.00 176.35 171.99 1n6f s ASP 772 N 4.52 4.81 1.19 3.68 -1.08 -0.68 -4.97 116.67 124.14 1n6f s ASP 772 Ca 0.50 -1.30 0.00 0.00 -0.52 0.00 0.00 52.55 51.23 1n6f s ASP 772 Cb -0.10 -1.68 0.00 0.00 -1.46 0.00 0.00 42.92 39.67 1n6f s ASP 772 CO 0.23 -0.25 0.00 0.61 0.52 0.00 0.00 175.17 176.28 1n6f n GLY 773 N 4.59 2.63 0.24 2.66 0.00 -1.26 -2.77 105.19 111.27 1n6f n GLY 773 Ca -0.13 -0.34 0.08 0.00 0.00 0.00 0.00 46.02 45.62 1n6f n GLY 773 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1n6f n ASP 774 N 9.03 2.60 -4.01 1.61 5.75 -1.26 -4.66 116.55 125.62 1n6f n ASP 774 Ca 0.00 -2.84 -0.15 0.00 -0.01 0.00 0.00 54.79 51.79 1n6f n ASP 774 Cb 0.00 -0.37 -0.13 0.00 -1.03 0.00 0.00 41.12 39.59 1n6f n ASP 774 CO 0.00 0.00 0.00 -1.00 -0.11 0.00 0.00 177.20 176.09 1n6f s HIS 775 N -2.46 0.62 0.06 2.11 3.76 -1.12 -2.77 115.29 115.49 1n6f s HIS 775 Ca 0.28 -0.27 -0.24 0.00 -0.15 0.00 0.00 55.06 54.68 1n6f s HIS 775 Cb 0.24 -0.38 -0.06 0.00 1.11 0.00 0.00 32.58 33.49 1n6f s HIS 775 CO 0.04 -0.03 0.75 0.71 -0.85 0.00 0.00 174.74 175.36 1n6f s TYR 776 N -0.66 3.76 0.17 1.40 1.51 -1.26 -1.68 117.35 120.60 1n6f s TYR 776 Ca -0.03 1.47 0.09 0.00 -1.01 0.00 0.00 57.07 57.60 1n6f s TYR 776 Cb -0.06 -2.78 -0.04 0.00 -0.11 0.00 0.00 41.96 38.97 1n6f s TYR 776 CO 0.00 0.33 -0.14 0.54 -1.11 0.00 0.00 175.55 175.17 1n6f s VAL 777 N -0.28 2.93 -0.68 0.71 0.11 -0.15 -1.34 120.40 121.69 1n6f s VAL 777 Ca 0.37 -1.72 -0.25 0.00 -2.93 0.00 0.00 61.98 57.45 1n6f s VAL 777 Cb -0.21 -2.43 0.05 0.00 -1.53 0.00 0.00 36.38 32.26 1n6f s VAL 777 CO 0.23 -0.08 1.12 -0.69 -3.33 0.00 0.00 175.10 172.36 1n6f s VAL 778 N -1.61 4.03 0.14 2.04 1.01 0.25 -1.60 120.40 124.66 1n6f s VAL 778 Ca 0.23 0.13 -0.10 0.00 0.00 0.00 0.00 61.98 62.24 1n6f s VAL 778 Cb -0.09 -4.79 -0.09 0.00 0.00 0.00 0.00 36.38 31.41 1n6f s VAL 778 CO 0.13 -1.61 1.41 0.00 0.00 0.00 0.00 175.10 175.03 1n6f h ALA 779 N 9.76 0.49 -2.88 5.51 0.00 -0.50 0.17 119.26 131.81 1n6f h ALA 779 Ca -0.28 -0.53 -0.14 0.00 0.00 0.00 0.00 54.91 53.96 1n6f h ALA 779 Cb 1.06 -0.07 -0.24 0.00 0.00 0.00 0.00 17.79 18.54 1n6f h ALA 779 CO 1.22 0.69 -0.31 0.21 0.00 0.00 0.00 179.25 181.05 1n6f s LYS 780 N -4.04 0.42 -0.32 0.00 2.20 -1.13 -4.75 119.74 112.12 1n6f s LYS 780 Ca -0.10 0.42 0.03 0.00 -0.36 0.00 0.00 55.97 55.96 1n6f s LYS 780 Cb 0.10 0.20 0.09 0.00 -1.51 0.00 0.00 37.83 36.71 1n6f s LYS 780 CO 0.88 -0.06 0.02 0.00 -0.36 0.00 0.00 175.35 175.83 1n6f s ALA 781 N 0.06 2.70 0.38 3.13 0.00 -1.26 -0.42 121.76 126.34 1n6f s ALA 781 Ca -0.01 -2.27 -0.26 0.00 0.00 0.00 0.00 51.96 49.42 1n6f s ALA 781 Cb -0.03 -1.84 -0.09 0.00 0.00 0.00 0.00 23.12 21.16 1n6f s ALA 781 CO 0.01 -1.56 1.22 0.71 0.00 0.00 0.00 175.76 176.13 1n6f s TYR 782 N 1.01 3.03 -0.28 0.00 1.51 -0.96 -4.90 117.35 116.76 1n6f s TYR 782 Ca 0.06 1.51 -0.23 0.00 -1.01 0.00 0.00 57.07 57.40 1n6f s TYR 782 Cb -0.19 -3.49 0.12 0.00 -0.11 0.00 0.00 41.96 38.28 1n6f s TYR 782 CO -0.08 -1.54 0.99 0.00 -1.11 0.00 0.00 175.55 173.81 1n6f s ALA 783 N -1.32 -2.00 0.00 3.71 0.00 -1.26 -1.39 121.76 119.50 1n6f s ALA 783 Ca 0.55 1.96 0.00 0.00 0.00 0.00 0.00 51.96 54.47 1n6f s ALA 783 Cb -0.34 -1.46 0.00 0.00 0.00 0.00 0.00 23.12 21.32 1n6f s ALA 783 CO 0.43 -0.26 0.00 0.41 0.00 0.00 0.00 175.76 176.34 1n6f n GLY 784 N 2.54 0.71 3.43 0.00 0.00 0.06 -4.29 105.19 107.63 1n6f n GLY 784 Ca -0.14 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.44 1n6f n GLY 784 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1n6f s ASP 785 N 0.15 6.21 0.42 1.61 -1.08 -1.26 -4.92 116.67 117.81 1n6f s ASP 785 Ca 0.00 -1.08 0.24 0.00 -0.52 0.00 0.00 52.55 51.19 1n6f s ASP 785 Cb 0.00 -2.32 1.26 0.00 -1.46 0.00 0.00 42.92 40.40 1n6f s ASP 785 CO 0.00 -1.08 1.71 1.88 0.52 0.00 0.00 175.17 178.20 1n6f h TYR 786 N 9.17 0.57 0.00 -5.34 0.05 -1.93 0.20 116.97 119.69 1n6f h TYR 786 Ca -0.28 0.02 0.00 0.00 0.05 0.00 0.00 58.73 58.52 1n6f h TYR 786 Cb 1.09 -0.16 0.00 0.00 1.01 0.00 0.00 36.73 38.67 1n6f h TYR 786 CO 0.83 -0.06 -0.03 0.43 -1.05 0.00 0.00 178.16 178.27 1n6f n SER 787 N -4.64 0.41 -4.36 3.88 7.64 -1.26 -4.83 113.62 110.45 1n6f n SER 787 Ca 0.30 0.50 -0.29 0.00 1.01 0.00 0.00 58.87 60.39 1n6f n SER 787 Cb 1.13 -0.59 0.16 0.00 -1.01 0.00 0.00 64.21 63.89 1n6f n SER 787 CO 0.00 0.00 0.00 0.20 -3.01 0.00 0.00 175.04 172.23 1n6f s ASN 788 N -3.74 3.55 0.05 6.43 0.01 0.69 -5.05 114.94 116.89 1n6f s ASN 788 Ca 0.12 0.37 -0.07 0.00 -0.71 0.00 0.00 52.86 52.57 1n6f s ASN 788 Cb 0.16 -0.55 -0.05 0.00 0.41 0.00 0.00 41.25 41.21 1n6f s ASN 788 CO 0.57 -2.46 0.32 -0.70 -1.51 0.00 0.00 177.10 173.32 1n6f s GLU 789 N -5.77 3.63 -1.47 -0.60 2.12 -1.26 -4.45 118.70 110.91 1n6f s GLU 789 Ca 0.70 -0.02 -0.07 0.00 0.36 0.00 0.00 54.97 55.94 1n6f s GLU 789 Cb -0.06 -3.02 0.05 0.00 0.26 0.00 0.00 34.13 31.36 1n6f s GLU 789 CO 0.51 0.59 0.69 0.41 -0.54 0.00 0.00 175.26 176.93 1n6f n GLY 790 N 0.86 -0.35 1.48 -1.50 0.00 -1.26 -4.89 105.19 99.53 1n6f n GLY 790 Ca -0.09 0.15 0.01 0.00 0.00 0.00 0.00 46.02 46.10 1n6f n GLY 790 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1n6f n GLU 791 N -4.44 1.04 -3.53 1.61 1.02 -1.26 -4.28 120.64 110.80 1n6f n GLU 791 Ca -0.15 -2.80 -0.08 0.00 -0.02 0.00 0.00 57.16 54.11 1n6f n GLU 791 Cb 0.61 -0.91 -0.02 0.00 -0.02 0.00 0.00 31.44 31.09 1n6f n GLU 791 CO 0.00 0.00 0.00 -1.59 1.18 0.00 0.00 177.13 176.72 1n6f s LYS 792 N -1.83 0.68 0.20 3.49 -2.85 -1.26 -0.76 119.74 117.41 1n6f s LYS 792 Ca 0.36 -0.20 -0.32 0.00 -1.00 0.00 0.00 55.97 54.80 1n6f s LYS 792 Cb 0.38 0.32 -0.13 0.00 -2.06 0.00 0.00 37.83 36.34 1n6f s LYS 792 CO -0.10 -0.29 1.68 0.45 0.10 0.00 0.00 175.35 177.19 1n6f n SER 793 N -0.08 3.74 0.24 0.03 2.88 -0.49 -4.80 113.62 115.14 1n6f n SER 793 Ca -0.07 1.07 0.10 0.00 -1.33 0.00 0.00 58.87 58.64 1n6f n SER 793 Cb 0.61 -1.53 0.54 0.00 -0.75 0.00 0.00 64.21 63.07 1n6f n SER 793 CO 0.00 0.00 0.00 1.55 -1.23 0.00 0.00 175.04 175.36 1n6f h PRO 794 N 6.47 0.00 -0.62 -1.46 0.13 -1.88 0.03 132.00 134.68 1n6f h PRO 794 Ca -0.44 0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 64.60 1n6f h PRO 794 Cb 1.22 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.32 1n6f h PRO 794 CO 0.93 0.00 0.04 0.82 -0.23 0.00 0.00 178.00 179.56 1n6f h ILE 795 N 0.00 1.26 -1.27 -3.56 2.04 -1.87 -3.10 117.51 111.02 1n6f h ILE 795 Ca 0.00 -1.10 0.37 0.00 1.00 0.00 0.00 64.86 65.13 1n6f h ILE 795 Cb 0.66 0.74 -0.08 0.00 -0.74 0.00 0.00 36.82 37.41 1n6f h ILE 795 CO 0.00 0.40 0.87 -0.26 0.00 0.00 0.00 178.15 179.17 1n6f h PHE 796 N 0.97 0.26 0.00 1.37 -1.00 -1.13 -0.50 116.94 116.91 1n6f h PHE 796 Ca 0.18 0.01 0.00 0.00 2.81 0.00 0.00 57.97 60.97 1n6f h PHE 796 Cb 0.51 -0.07 0.00 0.00 3.61 0.00 0.00 35.95 40.00 1n6f h PHE 796 CO 0.04 -0.02 0.10 0.93 -1.61 0.00 0.00 178.31 177.75 1n6f h GLU 797 N 0.12 0.00 -0.61 1.51 5.08 -1.74 0.94 114.58 119.88 1n6f h GLU 797 Ca 0.66 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 59.02 1n6f h GLU 797 Cb 2.30 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.55 1n6f h GLU 797 CO -0.15 0.00 0.00 0.66 -1.00 0.00 0.00 179.01 178.52 1n6f n TYR 798 N -2.36 1.05 -2.92 4.33 4.02 -0.20 -4.95 117.16 116.14 1n6f n TYR 798 Ca -0.02 -0.44 -0.11 0.00 -0.01 0.00 0.00 57.90 57.32 1n6f n TYR 798 Cb 0.14 -0.14 0.05 0.00 -0.02 0.00 0.00 39.34 39.36 1n6f n TYR 798 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1n6f n GLY 799 N 1.11 0.07 3.58 2.72 0.00 0.32 -5.05 105.19 107.94 1n6f n GLY 799 Ca 0.20 -0.17 -0.15 0.00 0.00 0.00 0.00 46.02 45.90 1n6f n GLY 799 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1n6f s ILE 800 N -3.19 0.00 -0.41 -0.61 -4.36 -1.25 -5.11 121.20 106.27 1n6f s ILE 800 Ca 0.14 0.00 -0.19 0.00 -0.26 0.00 0.00 60.65 60.35 1n6f s ILE 800 Cb -0.06 -1.00 0.02 0.00 1.25 0.00 0.00 42.46 42.66 1n6f s ILE 800 CO 0.39 0.00 0.53 -0.62 0.24 0.00 0.00 174.94 175.48 1n6f s ASP 801 N -0.36 6.26 0.50 4.36 3.68 -1.26 -4.10 116.67 125.75 1n6f s ASP 801 Ca -0.04 -0.42 0.31 0.00 2.13 0.00 0.00 52.55 54.53 1n6f s ASP 801 Cb -0.03 -2.27 1.68 0.00 -1.45 0.00 0.00 42.92 40.86 1n6f s ASP 801 CO 0.04 -0.63 1.94 1.55 0.13 0.00 0.00 175.17 178.20 1n6f h PRO 802 N 8.73 0.00 -6.21 4.34 0.13 -1.97 -3.45 132.00 133.57 1n6f h PRO 802 Ca -0.26 0.00 -0.64 0.00 -0.87 0.00 0.00 66.00 64.22 1n6f h PRO 802 Cb 1.11 0.00 0.11 0.00 0.13 0.00 0.00 31.00 32.35 1n6f h PRO 802 CO 0.82 0.00 -0.23 2.41 -0.23 0.00 0.00 178.00 180.77 1n6f n THR 803 N -2.63 1.97 0.00 1.56 -1.04 -1.26 -0.77 114.28 112.11 1n6f n THR 803 Ca -0.02 -0.49 0.00 0.00 -2.04 0.00 0.00 64.05 61.50 1n6f n THR 803 Cb 0.11 -0.44 0.00 0.00 -1.82 0.00 0.00 70.33 68.18 1n6f n THR 803 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1n6f n GLY 804 N 1.66 2.13 3.75 3.41 0.00 0.59 -4.96 105.19 111.77 1n6f n GLY 804 Ca 0.14 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.85 1n6f n GLY 804 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1n6f s TYR 805 N -1.03 2.41 -0.06 1.61 2.02 0.05 -4.61 117.35 117.75 1n6f s TYR 805 Ca 0.00 1.59 -0.02 0.00 -0.37 0.00 0.00 57.07 58.28 1n6f s TYR 805 Cb 0.00 -3.15 -0.04 0.00 -0.40 0.00 0.00 41.96 38.38 1n6f s TYR 805 CO 0.00 -1.98 0.04 -0.51 -1.57 0.00 0.00 175.55 171.53 1n6f s LEU 806 N -5.74 3.75 -0.41 -1.29 1.43 0.69 -0.59 118.68 116.52 1n6f s LEU 806 Ca 0.64 0.16 -0.15 0.00 -1.03 0.00 0.00 54.13 53.76 1n6f s LEU 806 Cb -0.19 -1.98 0.02 0.00 0.03 0.00 0.00 46.19 44.07 1n6f s LEU 806 CO 0.52 0.34 0.29 -0.63 0.23 0.00 0.00 176.35 177.11 1n6f s ILE 807 N -1.00 5.18 0.00 -0.59 1.01 -0.45 -1.06 121.20 124.29 1n6f s ILE 807 Ca 0.17 -0.69 0.00 0.00 0.00 0.00 0.00 60.65 60.13 1n6f s ILE 807 Cb -0.12 -3.89 0.00 0.00 0.01 0.00 0.00 42.46 38.46 1n6f s ILE 807 CO 0.06 -0.30 0.30 -0.62 0.00 0.00 0.00 174.94 174.37 1n6f n GLU 808 N 5.14 0.00 -4.13 2.79 -0.58 -0.60 -4.26 120.64 119.01 1n6f n GLU 808 Ca -0.11 0.34 -0.09 0.00 -0.42 0.00 0.00 57.16 56.88 1n6f n GLU 808 Cb 0.47 -1.02 -0.10 0.00 -0.57 0.00 0.00 31.44 30.22 1n6f n GLU 808 CO 0.00 0.00 0.00 0.16 -0.48 0.00 0.00 177.13 176.81 1n6f s ASP 809 N -2.23 0.40 -0.08 1.62 -4.77 -1.24 -2.27 116.67 108.09 1n6f s ASP 809 Ca 0.00 -1.13 0.01 0.00 -3.30 0.00 0.00 52.55 48.12 1n6f s ASP 809 Cb 0.00 0.26 0.02 0.00 -1.09 0.00 0.00 42.92 42.11 1n6f s ASP 809 CO 0.00 -0.68 -0.10 -0.63 0.70 0.00 0.00 175.17 174.47 1n6f s ILE 810 N -3.99 1.04 -1.44 2.11 1.01 0.15 -1.47 121.20 118.61 1n6f s ILE 810 Ca 0.18 -0.36 -0.09 0.00 0.00 0.00 0.00 60.65 60.37 1n6f s ILE 810 Cb 0.08 -1.00 0.05 0.00 0.01 0.00 0.00 42.46 41.60 1n6f s ILE 810 CO -0.02 0.35 0.98 -0.67 0.00 0.00 0.00 174.94 175.57 1n6f n ASP 811 N 4.32 -4.32 0.00 3.58 4.64 0.27 -1.34 116.55 123.71 1n6f n ASP 811 Ca -0.19 -0.73 0.00 0.00 -1.38 0.00 0.00 54.79 52.50 1n6f n ASP 811 Cb 0.51 -4.24 0.00 0.00 -1.04 0.00 0.00 41.12 36.35 1n6f n ASP 811 CO 0.00 0.00 0.00 0.61 -0.82 0.00 0.00 177.20 176.99 1n6f n GLY 812 N -1.71 2.48 3.75 0.27 0.00 -1.26 -4.97 105.19 103.74 1n6f n GLY 812 Ca -0.05 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.59 1n6f n GLY 812 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1n6f s GLU 813 N 0.00 4.28 0.27 1.61 2.12 -0.45 -5.02 118.70 121.51 1n6f s GLU 813 Ca 0.00 0.52 -0.29 0.00 0.36 0.00 0.00 54.97 55.55 1n6f s GLU 813 Cb 0.00 -3.39 -0.09 0.00 0.26 0.00 0.00 34.13 30.91 1n6f s GLU 813 CO 0.00 0.28 1.10 0.99 -0.54 0.00 0.00 175.26 177.08 1n6f s THR 814 N 0.21 3.52 0.05 -1.70 2.01 -1.26 0.31 115.64 118.77 1n6f s THR 814 Ca 0.27 1.51 0.07 0.00 0.31 0.00 0.00 61.69 63.85 1n6f s THR 814 Cb -0.16 -3.96 -0.03 0.00 0.01 0.00 0.00 72.50 68.36 1n6f s THR 814 CO 0.12 0.35 -0.19 0.68 -0.69 0.00 0.00 174.62 174.90 1n6f s VAL 815 N -1.08 1.54 -3.30 3.82 -7.23 -0.96 -4.58 120.40 108.60 1n6f s VAL 815 Ca 0.45 -1.18 0.00 0.00 -1.81 0.00 0.00 61.98 59.43 1n6f s VAL 815 Cb -0.32 -1.36 0.00 0.00 0.56 0.00 0.00 36.38 35.27 1n6f s VAL 815 CO 0.40 0.13 0.00 0.61 -0.31 0.00 0.00 175.10 175.94 1n6f n GLY 816 N 1.79 -0.52 0.36 2.32 0.00 -0.88 -4.56 105.19 103.69 1n6f n GLY 816 Ca -0.18 -0.64 0.12 0.00 0.00 0.00 0.00 46.02 45.33 1n6f n GLY 816 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1n6f h ALA 817 N 0.00 1.81 0.00 4.61 0.00 -1.78 -2.48 119.26 121.41 1n6f h ALA 817 Ca 0.00 -0.01 -0.21 0.00 0.00 0.00 0.00 54.91 54.69 1n6f h ALA 817 Cb 0.00 0.01 -0.04 0.00 0.00 0.00 0.00 17.79 17.76 1n6f h ALA 817 CO 0.00 -0.72 -1.80 0.41 0.00 0.00 0.00 179.25 177.14 1n6f n GLY 818 N -1.39 -0.20 3.56 0.00 0.00 -1.26 -4.97 105.19 100.93 1n6f n GLY 818 Ca 0.02 -0.09 -0.40 0.00 0.00 0.00 0.00 46.02 45.56 1n6f n GLY 818 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1n6f s SER 819 N -5.43 6.14 -0.29 1.61 0.15 -0.94 -5.03 113.70 109.93 1n6f s SER 819 Ca -0.19 -0.10 -0.28 0.00 0.70 0.00 0.00 55.95 56.08 1n6f s SER 819 Cb 0.05 -2.17 -0.04 0.00 -1.71 0.00 0.00 66.02 62.15 1n6f s SER 819 CO 0.32 -0.23 2.10 0.21 1.20 0.00 0.00 173.24 176.84 1n6f s ASN 820 N 1.72 5.49 0.40 5.45 3.84 -1.26 -2.08 114.94 128.50 1n6f s ASN 820 Ca 0.11 1.60 0.07 0.00 0.21 0.00 0.00 52.86 54.85 1n6f s ASN 820 Cb -0.16 -2.51 0.83 0.00 -0.55 0.00 0.00 41.25 38.85 1n6f s ASN 820 CO 0.11 -1.98 2.04 -0.29 -2.79 0.00 0.00 177.10 174.19 1n6f h ILE 821 N 7.09 1.12 0.47 -5.21 2.10 -1.87 -2.25 117.51 118.95 1n6f h ILE 821 Ca -0.37 -0.26 -0.02 0.00 1.08 0.00 0.00 64.86 65.29 1n6f h ILE 821 Cb 1.22 0.54 0.00 0.00 -1.09 0.00 0.00 36.82 37.49 1n6f h ILE 821 CO 1.00 0.12 -0.22 1.88 -1.08 0.00 0.00 178.15 179.85 1n6f h TYR 822 N 0.56 -0.58 -0.47 2.19 0.05 -1.90 0.95 116.97 117.77 1n6f h TYR 822 Ca 0.15 -0.01 0.07 0.00 0.05 0.00 0.00 58.73 58.99 1n6f h TYR 822 Cb -0.03 0.19 -0.06 0.00 1.01 0.00 0.00 36.73 37.85 1n6f h TYR 822 CO 0.00 -0.31 0.14 -0.09 -1.05 0.00 0.00 178.16 176.84 1n6f h ARG 823 N -0.72 0.28 0.28 4.88 2.43 -1.85 0.58 114.38 120.26 1n6f h ARG 823 Ca -0.06 -0.02 0.01 0.00 -0.81 0.00 0.00 59.98 59.09 1n6f h ARG 823 Cb 0.53 -0.06 -0.03 0.00 -0.42 0.00 0.00 29.97 29.98 1n6f h ARG 823 CO 0.11 0.19 -0.40 0.28 -1.51 0.00 0.00 179.97 178.63 1n6f h VAL 824 N 0.29 0.19 -0.83 0.20 2.07 -1.25 0.32 116.25 117.24 1n6f h VAL 824 Ca 0.23 0.00 0.12 0.00 0.82 0.00 0.00 66.70 67.87 1n6f h VAL 824 Cb 0.27 0.19 -0.08 0.00 -1.52 0.00 0.00 31.29 30.14 1n6f h VAL 824 CO -0.27 0.00 0.45 -0.07 0.02 0.00 0.00 177.57 177.71 1n6f h LEU 825 N -0.74 0.61 -1.40 2.57 3.38 -0.00 0.18 115.31 119.90 1n6f h LEU 825 Ca -0.01 0.07 0.08 0.00 0.09 0.00 0.00 57.88 58.11 1n6f h LEU 825 Cb 0.70 -0.04 -0.05 0.00 0.09 0.00 0.00 40.66 41.36 1n6f h LEU 825 CO -0.14 0.31 0.48 -1.28 0.09 0.00 0.00 178.44 177.91 1n6f h SER 826 N 0.72 0.62 0.44 -0.43 0.87 0.12 -0.73 113.55 115.15 1n6f h SER 826 Ca 0.42 0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.99 1n6f h SER 826 Cb 0.48 -0.12 0.00 0.00 -0.44 0.00 0.00 62.40 62.32 1n6f h SER 826 CO -0.29 0.39 0.00 -0.62 -0.53 0.00 0.00 176.83 175.77 1n6f n GLU 827 N -4.49 0.45 0.00 2.24 1.02 0.60 -2.95 120.64 117.51 1n6f n GLU 827 Ca 0.12 0.03 0.01 0.00 -0.02 0.00 0.00 57.16 57.30 1n6f n GLU 827 Cb 0.29 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.21 1n6f n GLU 827 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1n6f n LYS 828 N -1.25 1.64 -1.61 3.49 4.76 -0.36 -5.04 118.16 119.80 1n6f n LYS 828 Ca 0.14 -0.44 -0.54 0.00 -2.87 0.00 0.00 58.31 54.59 1n6f n LYS 828 Cb 0.20 -0.91 -0.07 0.00 -1.84 0.00 0.00 35.03 32.42 1n6f n LYS 828 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1n6f n ALA 829 N -0.25 -1.05 -0.29 7.82 0.00 -0.73 -1.45 120.51 124.56 1n6f n ALA 829 Ca 0.01 0.50 0.00 0.00 0.00 0.00 0.00 53.44 53.95 1n6f n ALA 829 Cb 0.06 -2.08 0.00 0.00 0.00 0.00 0.00 19.45 17.43 1n6f n ALA 829 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1n6f n GLY 830 N 2.84 0.78 3.38 0.00 0.00 0.25 -4.96 105.19 107.48 1n6f n GLY 830 Ca 0.21 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 46.07 1n6f n GLY 830 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1n6f s THR 831 N -2.20 0.00 -0.17 2.61 -4.23 -0.53 -4.98 115.64 106.14 1n6f s THR 831 Ca 0.00 -1.78 -0.06 0.00 -1.18 0.00 0.00 61.69 58.67 1n6f s THR 831 Cb 0.00 -2.54 -0.04 0.00 1.34 0.00 0.00 72.50 71.27 1n6f s THR 831 CO 0.00 0.00 0.03 -0.44 -0.54 0.00 0.00 174.62 173.67 1n6f s SER 832 N -3.25 5.35 0.14 3.99 0.01 -1.26 -0.34 113.70 118.34 1n6f s SER 832 Ca 0.35 0.01 0.10 0.00 1.31 0.00 0.00 55.95 57.72 1n6f s SER 832 Cb 0.02 -1.90 -0.04 0.00 0.21 0.00 0.00 66.02 64.30 1n6f s SER 832 CO 0.21 0.17 -0.24 0.00 0.41 0.00 0.00 173.24 173.78 1n6f s ALA 833 N 0.38 2.25 0.05 1.44 0.00 -0.33 -4.89 121.76 120.67 1n6f s ALA 833 Ca 0.01 -1.46 -0.31 0.00 0.00 0.00 0.00 51.96 50.20 1n6f s ALA 833 Cb -0.13 -0.32 -0.06 0.00 0.00 0.00 0.00 23.12 22.61 1n6f s ALA 833 CO 0.01 0.45 1.24 0.50 0.00 0.00 0.00 175.76 177.96 1n6f s ARG 834 N -2.23 4.40 -0.15 0.00 3.52 -1.26 -1.66 118.95 121.57 1n6f s ARG 834 Ca 0.14 1.81 0.00 0.00 -0.13 0.00 0.00 55.73 57.55 1n6f s ARG 834 Cb -0.09 -3.38 0.03 0.00 -1.56 0.00 0.00 34.95 29.95 1n6f s ARG 834 CO 0.07 -0.33 -0.11 0.42 -0.81 0.00 0.00 175.30 174.54 1n6f s ILE 835 N 1.31 1.40 -0.24 4.11 1.01 0.46 0.97 121.20 130.22 1n6f s ILE 835 Ca 0.59 -0.60 -0.23 0.00 0.00 0.00 0.00 60.65 60.41 1n6f s ILE 835 Cb -0.30 -1.39 -0.01 0.00 0.01 0.00 0.00 42.46 40.77 1n6f s ILE 835 CO 0.28 0.36 0.76 -0.60 0.00 0.00 0.00 174.94 175.75 1n6f s ARG 836 N 1.54 4.17 0.18 2.79 6.06 -0.54 -2.43 118.95 130.72 1n6f s ARG 836 Ca 0.04 0.82 0.09 0.00 -2.50 0.00 0.00 55.73 54.18 1n6f s ARG 836 Cb -0.13 -3.64 -0.04 0.00 0.06 0.00 0.00 34.95 31.20 1n6f s ARG 836 CO -0.09 -0.46 -0.14 -0.51 -2.50 0.00 0.00 175.30 171.60 1n6f s LEU 837 N 2.65 2.82 -0.12 -0.88 1.43 0.77 -1.55 118.68 123.79 1n6f s LEU 837 Ca 0.32 -0.65 -0.03 0.00 -1.03 0.00 0.00 54.13 52.74 1n6f s LEU 837 Cb -0.15 -1.53 0.05 0.00 0.03 0.00 0.00 46.19 44.58 1n6f s LEU 837 CO 0.08 0.11 0.05 -0.44 0.23 0.00 0.00 176.35 176.38 1n6f s SER 838 N -2.75 2.04 0.00 2.29 0.01 -0.23 -0.71 113.70 114.35 1n6f s SER 838 Ca 0.23 -0.38 0.00 0.00 1.31 0.00 0.00 55.95 57.11 1n6f s SER 838 Cb -0.09 -0.36 0.00 0.00 0.21 0.00 0.00 66.02 65.78 1n6f s SER 838 CO 0.13 -0.28 0.00 0.61 0.41 0.00 0.00 173.24 174.12 1n6f n GLY 839 N 5.19 1.83 3.77 3.44 0.00 0.10 -0.22 105.19 119.30 1n6f n GLY 839 Ca -0.07 -2.02 -0.41 0.00 0.00 0.00 0.00 46.02 43.53 1n6f n GLY 839 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1n6f s LYS 840 N 2.94 4.33 5.56 1.61 2.47 -1.26 -4.35 119.74 131.05 1n6f s LYS 840 Ca 0.00 2.24 0.00 0.00 -1.56 0.00 0.00 55.97 56.65 1n6f s LYS 840 Cb 0.00 -3.07 0.00 0.00 -1.46 0.00 0.00 37.83 33.30 1n6f s LYS 840 CO 0.00 -0.23 0.00 0.41 0.16 0.00 0.00 175.35 175.69 1n6f n GLY 841 N 0.99 0.69 1.51 5.54 0.00 -1.26 -3.13 105.19 109.53 1n6f n GLY 841 Ca 0.01 -0.71 -0.06 0.00 0.00 0.00 0.00 46.02 45.26 1n6f n GLY 841 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1n6f n GLY 842 N 0.00 4.36 3.55 -0.02 0.00 -1.26 -4.94 105.19 106.88 1n6f n GLY 842 Ca 0.00 -1.11 -0.32 0.00 0.00 0.00 0.00 46.02 44.59 1n6f n GLY 842 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1n6f s ASP 843 N -1.83 5.03 -0.17 1.61 3.68 -1.19 -4.94 116.67 118.87 1n6f s ASP 843 Ca 0.49 0.02 -0.06 0.00 2.13 0.00 0.00 52.55 55.14 1n6f s ASP 843 Cb 0.42 -2.54 -0.03 0.00 -1.45 0.00 0.00 42.92 39.31 1n6f s ASP 843 CO 0.07 -2.68 0.01 -0.54 0.13 0.00 0.00 175.17 172.16 1n6f s LYS 844 N 7.30 3.82 0.04 4.34 -0.14 -1.26 0.01 119.74 133.85 1n6f s LYS 844 Ca 0.73 -0.43 0.07 0.00 -1.36 0.00 0.00 55.97 54.98 1n6f s LYS 844 Cb -0.11 -3.06 -0.02 0.00 -1.68 0.00 0.00 37.83 32.95 1n6f s LYS 844 CO 0.12 0.27 -0.19 1.03 -0.76 0.00 0.00 175.35 175.82 1n6f s ARG 845 N 0.33 1.28 -0.30 1.68 1.81 0.11 -4.98 118.95 118.88 1n6f s ARG 845 Ca -0.00 -0.91 -0.03 0.00 -1.72 0.00 0.00 55.73 53.07 1n6f s ARG 845 Cb -0.13 -1.38 0.11 0.00 -0.45 0.00 0.00 34.95 33.09 1n6f s ARG 845 CO 0.01 0.35 0.14 0.34 -0.68 0.00 0.00 175.30 175.46 1n6f s ASP 846 N -1.20 3.57 0.19 0.23 3.68 -1.26 -0.16 116.67 121.72 1n6f s ASP 846 Ca 0.06 -1.50 0.10 0.00 2.13 0.00 0.00 52.55 53.34 1n6f s ASP 846 Cb -0.09 -0.48 -0.04 0.00 -1.45 0.00 0.00 42.92 40.86 1n6f s ASP 846 CO 0.02 -0.42 -0.20 -0.76 0.13 0.00 0.00 175.17 173.95 1n6f s LEU 847 N 1.84 2.46 -0.80 -1.34 1.43 -1.02 -4.93 118.68 116.32 1n6f s LEU 847 Ca 0.10 -0.89 -0.15 0.00 -1.03 0.00 0.00 54.13 52.16 1n6f s LEU 847 Cb -0.17 -0.93 0.19 0.00 0.03 0.00 0.00 46.19 45.31 1n6f s LEU 847 CO -0.29 0.00 0.79 -0.04 0.23 0.00 0.00 176.35 177.04 1n6f s MET 848 N -2.90 3.50 0.22 1.70 -1.94 -1.26 -0.40 119.30 118.21 1n6f s MET 848 Ca 0.19 -2.21 -0.17 0.00 -1.71 0.00 0.00 55.69 51.79 1n6f s MET 848 Cb -0.06 -4.48 -0.08 0.00 2.01 0.00 0.00 34.83 32.23 1n6f s MET 848 CO 0.08 -1.38 0.67 0.42 -0.01 0.00 0.00 175.02 174.80 1n6f s ILE 849 N 0.84 4.68 -0.23 2.53 -1.09 -0.67 -4.82 121.20 122.45 1n6f s ILE 849 Ca 0.18 1.08 -0.26 0.00 -2.23 0.00 0.00 60.65 59.43 1n6f s ILE 849 Cb -0.12 -3.78 -0.00 0.00 -1.58 0.00 0.00 42.46 36.97 1n6f s ILE 849 CO -0.07 0.15 0.88 -1.81 -1.23 0.00 0.00 174.94 172.86 1n6f s ASP 850 N -1.78 6.92 -0.55 3.58 -0.00 -1.26 -1.18 116.67 122.39 1n6f s ASP 850 Ca 0.43 1.14 -0.23 0.00 -0.00 0.00 0.00 52.55 53.89 1n6f s ASP 850 Cb -0.15 -2.46 0.05 0.00 -0.00 0.00 0.00 42.92 40.35 1n6f s ASP 850 CO 0.20 -0.53 0.86 -0.63 -0.00 0.00 0.00 175.17 175.07 1n6f s ILE 851 N 2.80 4.51 0.58 0.77 -1.09 0.54 -4.79 121.20 124.52 1n6f s ILE 851 Ca 0.38 0.05 -0.17 0.00 -2.23 0.00 0.00 60.65 58.67 1n6f s ILE 851 Cb -0.15 -4.49 -0.04 0.00 -1.58 0.00 0.00 42.46 36.20 1n6f s ILE 851 CO 0.08 -1.06 1.08 -0.76 -1.23 0.00 0.00 174.94 173.05 1n6f s LEU 852 N 3.62 3.58 0.40 2.97 1.43 0.81 -0.58 118.68 130.90 1n6f s LEU 852 Ca 0.26 1.93 0.22 0.00 -1.03 0.00 0.00 54.13 55.51 1n6f s LEU 852 Cb -0.14 -4.55 0.28 0.00 0.03 0.00 0.00 46.19 41.80 1n6f s LEU 852 CO 0.17 -1.20 1.52 0.44 0.23 0.00 0.00 176.35 177.51 1n6f h ASP 853 N 0.67 0.00 -4.78 2.29 5.19 -1.82 0.16 116.42 118.12 1n6f h ASP 853 Ca -0.48 0.00 -0.07 0.00 -0.62 0.00 0.00 57.03 55.87 1n6f h ASP 853 Cb 1.23 0.00 -0.20 0.00 0.18 0.00 0.00 39.33 40.55 1n6f h ASP 853 CO 0.57 0.03 0.10 -0.62 -3.12 0.00 0.00 179.24 176.20 1n6f s ASP 854 N -6.10 -0.61 0.00 6.45 2.15 -1.26 -4.50 116.67 112.80 1n6f s ASP 854 Ca 0.06 0.77 0.24 0.00 0.43 0.00 0.00 52.55 54.05 1n6f s ASP 854 Cb 0.06 0.68 0.40 0.00 -0.30 0.00 0.00 42.92 43.76 1n6f s ASP 854 CO 0.69 -0.51 1.16 -0.90 -0.17 0.00 0.00 175.17 175.44 1n6f n ASP 855 N 1.34 0.91 -0.05 -0.34 3.85 -1.26 -4.89 116.55 116.11 1n6f n ASP 855 Ca -0.18 -2.00 -0.11 0.00 -0.71 0.00 0.00 54.79 51.79 1n6f n ASP 855 Cb 0.57 -0.29 -0.05 0.00 -1.35 0.00 0.00 41.12 39.99 1n6f n ASP 855 CO 0.00 0.00 0.00 -0.09 -1.01 0.00 0.00 177.20 176.10 1n6f h ARG 856 N 0.92 0.28 -0.71 0.11 9.65 -1.91 -1.75 114.38 120.96 1n6f h ARG 856 Ca -0.22 -0.07 -0.01 0.00 -1.10 0.00 0.00 59.98 58.58 1n6f h ARG 856 Cb 1.86 -0.03 -0.03 0.00 -1.39 0.00 0.00 29.97 30.37 1n6f h ARG 856 CO 0.09 0.44 0.41 0.35 2.80 0.00 0.00 179.97 184.06 1n6f h PHE 857 N 0.08 0.96 -0.17 2.20 3.57 -1.91 0.18 116.94 121.84 1n6f h PHE 857 Ca 0.05 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.54 1n6f h PHE 857 Cb 0.29 -0.31 -0.01 0.00 2.79 0.00 0.00 35.95 38.71 1n6f h PHE 857 CO 0.01 0.66 0.11 0.82 -2.23 0.00 0.00 178.31 177.69 1n6f h ILE 858 N 0.98 1.04 -0.44 1.41 2.04 -1.72 0.70 117.51 121.53 1n6f h ILE 858 Ca 0.25 -0.08 0.07 0.00 1.00 0.00 0.00 64.86 66.10 1n6f h ILE 858 Cb -0.00 0.80 -0.06 0.00 -0.74 0.00 0.00 36.82 36.81 1n6f h ILE 858 CO -0.04 0.04 0.10 0.03 0.00 0.00 0.00 178.15 178.27 1n6f h ARG 859 N 0.23 0.23 0.37 2.37 3.08 -0.62 -0.89 114.38 119.15 1n6f h ARG 859 Ca 0.06 -0.01 -0.00 0.00 0.07 0.00 0.00 59.98 60.10 1n6f h ARG 859 Cb -0.03 -0.05 -0.02 0.00 0.08 0.00 0.00 29.97 29.95 1n6f h ARG 859 CO -0.01 0.15 -0.39 -0.92 -1.07 0.00 0.00 179.97 177.72 1n6f h TYR 860 N 0.23 -1.07 -0.79 3.04 3.20 0.01 -0.95 116.97 120.64 1n6f h TYR 860 Ca 0.21 0.01 0.05 0.00 3.14 0.00 0.00 58.73 62.14 1n6f h TYR 860 Cb 0.26 0.42 -0.05 0.00 1.54 0.00 0.00 36.73 38.90 1n6f h TYR 860 CO -0.20 -0.54 0.52 0.00 -1.64 0.00 0.00 178.16 176.30 1n6f h ARG 861 N -0.79 0.87 -0.27 1.82 2.47 -0.65 -0.49 114.38 117.34 1n6f h ARG 861 Ca -0.03 -0.05 0.01 0.00 -1.26 0.00 0.00 59.98 58.65 1n6f h ARG 861 Cb 0.72 -0.20 -0.02 0.00 -1.65 0.00 0.00 29.97 28.82 1n6f h ARG 861 CO -0.08 0.58 0.17 1.03 0.56 0.00 0.00 179.97 182.23 1n6f h SER 862 N 0.90 0.28 -0.57 7.04 0.87 -0.82 0.11 113.55 121.35 1n6f h SER 862 Ca 0.33 -0.00 0.02 0.00 -1.23 0.00 0.00 61.79 60.92 1n6f h SER 862 Cb 0.17 -0.06 -0.04 0.00 -0.44 0.00 0.00 62.40 62.03 1n6f h SER 862 CO -0.11 0.20 0.35 -0.25 -0.53 0.00 0.00 176.83 176.49 1n6f h TRP 863 N 0.34 0.66 0.16 2.24 7.01 0.20 0.80 115.95 127.36 1n6f h TRP 863 Ca 0.10 0.02 -0.01 0.00 2.11 0.00 0.00 58.89 61.11 1n6f h TRP 863 Cb -0.02 -0.21 0.00 0.00 -2.10 0.00 0.00 29.16 26.83 1n6f h TRP 863 CO -0.07 0.38 -0.08 0.28 -2.79 0.00 0.00 178.44 176.16 1n6f h VAL 864 N 0.70 0.95 -0.06 2.65 2.07 -0.79 -1.12 116.25 120.64 1n6f h VAL 864 Ca 0.23 -0.51 0.02 0.00 0.82 0.00 0.00 66.70 67.26 1n6f h VAL 864 Cb 0.01 1.27 -0.00 0.00 -1.52 0.00 0.00 31.29 31.05 1n6f h VAL 864 CO -0.10 0.12 0.05 -0.33 0.02 0.00 0.00 177.57 177.34 1n6f h GLU 865 N -0.46 0.00 0.29 1.57 4.39 -0.73 0.89 114.58 120.53 1n6f h GLU 865 Ca -0.02 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.66 1n6f h GLU 865 Cb 0.36 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.01 1n6f h GLU 865 CO 0.04 0.00 -0.14 0.00 -1.16 0.00 0.00 179.01 177.75 1n6f h ALA 866 N 1.96 -0.39 -0.69 3.43 0.00 -0.44 -1.40 119.26 121.73 1n6f h ALA 866 Ca 0.03 -0.19 0.06 0.00 0.00 0.00 0.00 54.91 54.81 1n6f h ALA 866 Cb 0.13 0.15 -0.04 0.00 0.00 0.00 0.00 17.79 18.03 1n6f h ALA 866 CO -0.00 -0.52 0.45 -0.91 0.00 0.00 0.00 179.25 178.27 1n6f h ASN 867 N -0.77 0.64 0.25 0.00 -0.26 -0.35 -0.21 115.58 114.88 1n6f h ASN 867 Ca -0.04 0.00 -0.01 0.00 -0.56 0.00 0.00 56.30 55.69 1n6f h ASN 867 Cb 0.50 -0.14 0.00 0.00 -1.06 0.00 0.00 38.32 37.63 1n6f h ASN 867 CO 0.06 0.42 -0.12 -0.09 -1.06 0.00 0.00 177.43 176.64 1n6f h ARG 868 N 0.74 -0.33 -0.29 0.81 2.43 -0.75 0.55 114.38 117.54 1n6f h ARG 868 Ca 0.29 0.02 0.02 0.00 -0.81 0.00 0.00 59.98 59.51 1n6f h ARG 868 Cb 0.22 0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 29.82 1n6f h ARG 868 CO -0.09 -0.22 0.14 0.00 -1.51 0.00 0.00 179.97 178.29 1n6f h ARG 869 N -0.34 0.29 -0.01 0.20 3.08 -0.27 -1.34 114.38 115.99 1n6f h ARG 869 Ca -0.03 -0.02 0.03 0.00 0.07 0.00 0.00 59.98 60.03 1n6f h ARG 869 Cb 0.26 -0.07 -0.05 0.00 0.08 0.00 0.00 29.97 30.20 1n6f h ARG 869 CO 0.05 0.19 -0.33 -0.92 -1.07 0.00 0.00 179.97 177.90 1n6f h TYR 870 N 0.30 -0.90 -0.86 3.04 3.20 -0.79 -0.70 116.97 120.26 1n6f h TYR 870 Ca 0.12 0.03 0.07 0.00 3.14 0.00 0.00 58.73 62.09 1n6f h TYR 870 Cb 0.04 0.40 -0.06 0.00 1.54 0.00 0.00 36.73 38.65 1n6f h TYR 870 CO -0.10 -0.42 0.53 0.28 -1.64 0.00 0.00 178.16 176.82 1n6f h VAL 871 N -0.47 1.03 0.24 1.81 2.07 -0.67 0.71 116.25 120.97 1n6f h VAL 871 Ca 0.06 -0.33 -0.01 0.00 0.82 0.00 0.00 66.70 67.24 1n6f h VAL 871 Cb 0.56 -0.02 0.00 0.00 -1.52 0.00 0.00 31.29 30.32 1n6f h VAL 871 CO -0.27 0.18 -0.12 0.45 0.02 0.00 0.00 177.57 177.83 1n6f h HIS 872 N 0.97 -0.30 0.04 1.57 3.86 -0.66 -1.99 115.15 118.63 1n6f h HIS 872 Ca 0.38 -0.01 -0.00 0.00 -1.16 0.00 0.00 60.37 59.58 1n6f h HIS 872 Cb 0.19 0.10 -0.00 0.00 1.06 0.00 0.00 27.41 28.76 1n6f h HIS 872 CO -0.03 -0.14 -0.03 0.93 0.86 0.00 0.00 177.93 179.52 1n6f h GLU 873 N -0.39 -0.07 -0.26 2.45 5.08 -0.64 0.41 114.58 121.16 1n6f h GLU 873 Ca -0.03 0.00 -0.07 0.00 -1.00 0.00 0.00 59.36 58.26 1n6f h GLU 873 Cb 0.30 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.55 1n6f h GLU 873 CO 0.05 -0.04 -0.16 -0.09 -1.00 0.00 0.00 179.01 177.77 1n6f h ARG 874 N -0.07 0.45 -0.44 2.33 2.43 -0.89 -1.91 114.38 116.28 1n6f h ARG 874 Ca -0.00 -0.14 0.00 0.00 -0.81 0.00 0.00 59.98 59.03 1n6f h ARG 874 Cb 0.06 -0.04 0.00 0.00 -0.42 0.00 0.00 29.97 29.57 1n6f h ARG 874 CO -0.00 0.60 0.00 -1.13 -1.51 0.00 0.00 179.97 177.93 1n6f n SER 875 N -4.19 1.85 -3.26 -3.80 3.41 -0.75 -4.88 113.62 102.00 1n6f n SER 875 Ca 0.00 -2.10 -0.23 0.00 -0.26 0.00 0.00 58.87 56.28 1n6f n SER 875 Cb 0.34 -0.29 0.02 0.00 -0.26 0.00 0.00 64.21 64.02 1n6f n SER 875 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1n6f n LYS 876 N 0.30 -4.56 -2.10 4.33 4.76 -0.72 -1.48 118.16 118.68 1n6f n LYS 876 Ca 0.10 0.71 -0.09 0.00 -2.87 0.00 0.00 58.31 56.16 1n6f n LYS 876 Cb 0.34 -5.53 -0.01 0.00 -1.84 0.00 0.00 35.03 27.99 1n6f n LYS 876 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1n6f n GLY 877 N -1.43 0.09 0.18 0.72 0.00 0.14 -4.93 105.19 99.96 1n6f n GLY 877 Ca -0.06 -0.51 0.02 0.00 0.00 0.00 0.00 46.02 45.47 1n6f n GLY 877 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1n6f n THR 878 N -3.90 0.06 -4.35 2.61 -2.24 -0.55 -4.88 114.28 101.03 1n6f n THR 878 Ca -0.11 -0.53 -0.20 0.00 -2.27 0.00 0.00 64.05 60.94 1n6f n THR 878 Cb 0.56 1.05 -0.15 0.00 -2.10 0.00 0.00 70.33 69.69 1n6f n THR 878 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 1n6f s ILE 879 N -0.41 0.72 0.45 2.28 1.01 -1.26 -1.05 121.20 122.94 1n6f s ILE 879 Ca 0.05 -0.33 0.05 0.00 0.00 0.00 0.00 60.65 60.42 1n6f s ILE 879 Cb 0.04 -0.64 0.01 0.00 0.01 0.00 0.00 42.46 41.88 1n6f s ILE 879 CO 0.06 0.23 0.63 -0.83 0.00 0.00 0.00 174.94 175.02 1n6f s GLY 880 N 0.16 1.83 -0.05 6.18 0.00 0.67 -4.25 107.32 111.86 1n6f s GLY 880 Ca -0.02 -1.47 -0.04 0.00 0.00 0.00 0.00 44.72 43.18 1n6f s GLY 880 CO 0.00 -1.27 0.12 -0.47 0.00 0.00 0.00 173.10 171.48 1n6f s TYR 881 N -2.48 -0.13 0.00 1.90 5.04 -1.26 -1.43 117.35 118.99 1n6f s TYR 881 Ca 0.54 0.33 -0.07 0.00 -2.44 0.00 0.00 57.07 55.43 1n6f s TYR 881 Cb -0.10 0.03 0.00 0.00 0.35 0.00 0.00 41.96 42.24 1n6f s TYR 881 CO 0.35 -0.07 0.13 0.42 -1.34 0.00 0.00 175.55 175.03 1n6f s ILE 882 N 0.17 0.08 -0.03 3.14 1.01 -0.61 -4.87 121.20 120.09 1n6f s ILE 882 Ca -0.01 -0.67 0.01 0.00 0.00 0.00 0.00 60.65 59.98 1n6f s ILE 882 Cb -0.02 -0.41 0.02 0.00 0.01 0.00 0.00 42.46 42.06 1n6f s ILE 882 CO -0.00 -0.37 -0.02 -2.28 0.00 0.00 0.00 174.94 172.27 1n6f s HIS 883 N -1.31 0.47 -0.45 3.97 2.46 -1.26 -1.09 115.29 118.08 1n6f s HIS 883 Ca -0.14 -0.08 -0.09 0.00 0.47 0.00 0.00 55.06 55.22 1n6f s HIS 883 Cb -0.07 -0.47 0.11 0.00 -0.13 0.00 0.00 32.58 32.01 1n6f s HIS 883 CO 0.01 -0.13 0.31 0.42 -2.47 0.00 0.00 174.74 172.88 1n6f s ILE 884 N 0.82 4.14 0.37 0.89 1.01 -0.68 -4.38 121.20 123.37 1n6f s ILE 884 Ca -0.09 -1.69 0.04 0.00 0.00 0.00 0.00 60.65 58.91 1n6f s ILE 884 Cb -0.12 -3.67 0.27 0.00 0.01 0.00 0.00 42.46 38.94 1n6f s ILE 884 CO -0.01 -0.68 2.02 1.55 0.00 0.00 0.00 174.94 177.82 1n6f h PRO 885 N 8.41 0.73 0.00 2.79 0.13 -1.89 -3.40 132.00 138.77 1n6f h PRO 885 Ca -0.21 -0.04 0.00 0.00 -0.87 0.00 0.00 66.00 64.88 1n6f h PRO 885 Cb 1.07 -0.17 0.00 0.00 0.13 0.00 0.00 31.00 32.04 1n6f h PRO 885 CO 0.82 0.48 0.12 -0.40 -0.23 0.00 0.00 178.00 178.79 1n6f n ASP 886 N -4.45 -0.78 -1.97 1.44 3.85 -1.26 -2.27 116.55 111.11 1n6f n ASP 886 Ca 0.06 -1.52 -0.24 0.00 -0.71 0.00 0.00 54.79 52.38 1n6f n ASP 886 Cb 0.07 1.29 0.07 0.00 -1.35 0.00 0.00 41.12 41.21 1n6f n ASP 886 CO 0.00 0.00 0.00 0.23 -1.01 0.00 0.00 177.20 176.42 1n6f n MET 887 N -0.20 3.00 0.00 0.11 2.81 0.75 -3.84 117.12 119.75 1n6f n MET 887 Ca -0.03 -3.71 0.00 0.00 -1.81 0.00 0.00 57.70 52.15 1n6f n MET 887 Cb 0.21 -2.20 0.00 0.00 -0.71 0.00 0.00 33.22 30.52 1n6f n MET 887 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1n6f n GLY 888 N -0.85 5.00 0.31 3.03 0.00 -1.20 0.11 105.19 111.58 1n6f n GLY 888 Ca 0.48 -1.79 -0.07 0.00 0.00 0.00 0.00 46.02 44.64 1n6f n GLY 888 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 1n6f h MET 889 N 0.00 1.00 -0.82 1.61 2.86 -1.94 -2.37 114.93 115.27 1n6f h MET 889 Ca 0.00 -0.27 -0.04 0.00 -2.06 0.00 0.00 59.70 57.33 1n6f h MET 889 Cb 0.00 -0.12 -0.04 0.00 0.06 0.00 0.00 31.60 31.51 1n6f h MET 889 CO 0.00 0.95 0.36 1.98 1.06 0.00 0.00 176.91 181.26 1n6f h MET 890 N 0.94 1.21 -0.93 1.72 -1.53 -1.95 -1.51 114.93 112.88 1n6f h MET 890 Ca 0.18 -0.20 -0.00 0.00 -3.44 0.00 0.00 59.70 56.24 1n6f h MET 890 Cb 0.46 -0.21 -0.05 0.00 -0.55 0.00 0.00 31.60 31.25 1n6f h MET 890 CO 0.02 0.95 0.58 0.78 0.14 0.00 0.00 176.91 179.38 1n6f h GLY 891 N 1.19 1.33 0.99 1.39 0.00 -1.59 0.13 103.07 106.53 1n6f h GLY 891 Ca 0.28 -0.54 0.00 0.00 0.00 0.00 0.00 47.33 47.07 1n6f h GLY 891 CO -0.03 0.52 0.28 1.41 0.00 0.00 0.00 176.54 178.72 1n6f h LEU 892 N 1.27 0.52 0.44 3.11 4.07 -1.00 0.12 115.31 123.83 1n6f h LEU 892 Ca 0.34 -0.04 -0.02 0.00 0.08 0.00 0.00 57.88 58.24 1n6f h LEU 892 Cb -0.09 -0.13 0.00 0.00 1.08 0.00 0.00 40.66 41.53 1n6f h LEU 892 CO -0.07 0.40 -0.21 0.78 -1.08 0.00 0.00 178.44 178.26 1n6f h ASN 893 N 0.59 -0.50 -0.57 -0.43 2.35 -0.28 -2.35 115.58 114.39 1n6f h ASN 893 Ca 0.16 -0.02 -0.05 0.00 -0.55 0.00 0.00 56.30 55.83 1n6f h ASN 893 Cb -0.03 0.13 -0.03 0.00 0.05 0.00 0.00 38.32 38.44 1n6f h ASN 893 CO -0.03 -0.30 0.17 -0.33 -1.65 0.00 0.00 177.43 175.29 1n6f h GLU 894 N -0.66 0.94 0.49 0.81 4.39 -0.72 0.18 114.58 120.00 1n6f h GLU 894 Ca -0.06 -0.19 -0.02 0.00 0.34 0.00 0.00 59.36 59.42 1n6f h GLU 894 Cb 0.49 -0.14 0.00 0.00 -0.10 0.00 0.00 28.75 29.00 1n6f h GLU 894 CO 0.10 0.82 -0.24 0.35 -1.16 0.00 0.00 179.01 178.88 1n6f h PHE 895 N 0.90 -0.61 0.00 4.33 3.04 -0.74 -3.01 116.94 120.85 1n6f h PHE 895 Ca 0.20 -0.01 -0.08 0.00 3.98 0.00 0.00 57.97 62.06 1n6f h PHE 895 Cb 0.29 0.20 -0.01 0.00 2.56 0.00 0.00 35.95 38.99 1n6f h PHE 895 CO 0.02 -0.30 -0.38 1.88 -2.02 0.00 0.00 178.31 177.51 1n6f h TYR 896 N -0.85 0.00 -0.97 0.41 -1.99 -1.36 0.17 116.97 112.37 1n6f h TYR 896 Ca -0.07 0.00 0.22 0.00 2.00 0.00 0.00 58.73 60.88 1n6f h TYR 896 Cb 0.58 0.00 -0.09 0.00 2.00 0.00 0.00 36.73 39.23 1n6f h TYR 896 CO -0.00 0.38 0.62 -0.09 -0.00 0.00 0.00 178.16 179.06 1n6f h ARG 897 N 0.00 0.51 0.00 4.88 2.43 -0.51 -2.93 114.38 118.75 1n6f h ARG 897 Ca -0.00 -0.03 -0.27 0.00 -0.81 0.00 0.00 59.98 58.86 1n6f h ARG 897 Cb 0.71 -0.12 -0.05 0.00 -0.42 0.00 0.00 29.97 30.09 1n6f h ARG 897 CO 0.05 0.34 -2.03 1.28 -1.51 0.00 0.00 179.97 178.10 1n6f n LEU 898 N -4.62 1.47 -0.35 3.80 4.32 -1.07 -4.56 117.00 115.99 1n6f n LEU 898 Ca 0.22 -0.05 0.25 0.00 -0.02 0.00 0.00 56.01 56.41 1n6f n LEU 898 Cb 0.70 -0.14 0.52 0.00 -1.62 0.00 0.00 43.42 42.88 1n6f n LEU 898 CO 0.26 0.58 1.20 0.15 -1.22 0.00 0.00 177.39 178.37 1n6f h PHE 899 N 0.00 0.72 0.00 -1.77 3.57 -0.50 0.82 116.94 119.78 1n6f h PHE 899 Ca -0.41 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.12 1n6f h PHE 899 Cb 1.77 -0.20 0.00 0.00 2.79 0.00 0.00 35.95 40.31 1n6f h PHE 899 CO 0.01 -0.03 0.00 0.44 -2.23 0.00 0.00 178.31 176.50 1n6f n ILE 900 N -4.74 1.13 0.00 1.41 -5.35 -1.14 -2.45 119.36 108.24 1n6f n ILE 900 Ca 0.29 0.29 0.00 0.00 -0.27 0.00 0.00 62.75 63.06 1n6f n ILE 900 Cb 0.99 -1.08 0.00 0.00 -1.74 0.00 0.00 39.64 37.81 1n6f n ILE 900 CO 0.00 0.00 0.00 0.59 -1.76 0.00 0.00 176.55 175.38 1n6f n ASN 901 N -1.52 0.63 -0.00 7.28 3.02 0.27 -4.78 115.26 120.16 1n6f n ASN 901 Ca 0.03 -0.33 0.03 0.00 -0.03 0.00 0.00 54.58 54.28 1n6f n ASN 901 Cb 0.15 0.79 -0.04 0.00 -0.61 0.00 0.00 39.78 40.07 1n6f n ASN 901 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1n6f n GLU 902 N -0.85 4.68 0.27 3.52 -0.58 -0.34 -4.66 120.64 122.68 1n6f n GLU 902 Ca 0.00 -0.00 0.15 0.00 -0.42 0.00 0.00 57.16 56.89 1n6f n GLU 902 Cb 0.00 -0.82 0.76 0.00 -0.57 0.00 0.00 31.44 30.80 1n6f n GLU 902 CO 0.00 0.00 0.00 0.66 -0.48 0.00 0.00 177.13 177.31 1n6f h SER 903 N 0.00 0.00 -0.91 1.62 4.64 -1.69 -3.24 113.55 113.96 1n6f h SER 903 Ca 0.00 0.00 -0.44 0.00 -0.47 0.00 0.00 61.79 60.88 1n6f h SER 903 Cb 0.16 0.00 -0.26 0.00 -0.31 0.00 0.00 62.40 61.99 1n6f h SER 903 CO 0.00 0.08 0.54 -1.20 -0.87 0.00 0.00 176.83 175.39 1n6f n SER 904 N -3.36 3.90 -4.97 4.97 7.64 -1.26 -1.38 113.62 119.15 1n6f n SER 904 Ca -0.01 -3.54 -0.21 0.00 1.01 0.00 0.00 58.87 56.12 1n6f n SER 904 Cb 0.26 -0.81 0.02 0.00 -1.01 0.00 0.00 64.21 62.67 1n6f n SER 904 CO 0.00 0.00 0.00 -0.31 -3.01 0.00 0.00 175.04 171.72 1n6f s TYR 905 N -3.24 3.01 0.30 1.43 1.51 -1.22 -4.90 117.35 114.24 1n6f s TYR 905 Ca 0.56 -0.00 0.02 0.00 -1.01 0.00 0.00 57.07 56.64 1n6f s TYR 905 Cb 0.47 -2.46 0.57 0.00 -0.11 0.00 0.00 41.96 40.43 1n6f s TYR 905 CO 0.11 -0.53 1.88 1.96 -1.11 0.00 0.00 175.55 177.86 1n6f h GLN 906 N 0.36 0.95 -5.06 -0.62 4.20 -1.79 -3.26 115.11 109.90 1n6f h GLN 906 Ca -0.44 -0.06 -0.36 0.00 0.06 0.00 0.00 58.65 57.86 1n6f h GLN 906 Cb 1.27 -0.21 -0.14 0.00 0.30 0.00 0.00 27.48 28.70 1n6f h GLN 906 CO 0.53 0.63 -0.67 0.20 -0.67 0.00 0.00 178.83 178.85 1n6f s GLY 907 N -3.46 1.40 -0.05 3.46 0.00 -0.21 -2.25 107.32 106.21 1n6f s GLY 907 Ca -0.11 -1.68 -0.03 0.00 0.00 0.00 0.00 44.72 42.90 1n6f s GLY 907 CO 0.80 -1.63 0.11 -2.27 0.00 0.00 0.00 173.10 170.11 1n6f s LEU 908 N -3.26 1.22 -0.25 0.66 2.96 0.72 -0.24 118.68 120.48 1n6f s LEU 908 Ca 0.25 0.22 -0.06 0.00 -0.22 0.00 0.00 54.13 54.32 1n6f s LEU 908 Cb 0.05 0.30 -0.01 0.00 0.50 0.00 0.00 46.19 47.03 1n6f s LEU 908 CO 0.06 -0.09 0.03 -0.63 -1.32 0.00 0.00 176.35 174.41 1n6f s ILE 909 N 0.59 3.89 -0.50 6.68 1.01 -0.51 -0.93 121.20 131.44 1n6f s ILE 909 Ca -0.04 -0.42 -0.13 0.00 0.00 0.00 0.00 60.65 60.06 1n6f s ILE 909 Cb -0.06 -2.86 0.11 0.00 0.01 0.00 0.00 42.46 39.67 1n6f s ILE 909 CO -0.03 0.30 0.41 -0.69 0.00 0.00 0.00 174.94 174.93 1n6f s VAL 910 N 1.54 4.74 -0.33 2.92 1.01 0.39 -1.58 120.40 129.09 1n6f s VAL 910 Ca 0.05 -1.55 -0.22 0.00 0.00 0.00 0.00 61.98 60.26 1n6f s VAL 910 Cb -0.15 -4.03 0.00 0.00 0.00 0.00 0.00 36.38 32.20 1n6f s VAL 910 CO 0.01 -0.77 0.74 -0.62 0.00 0.00 0.00 175.10 174.46 1n6f s ASP 911 N 3.00 6.56 -0.18 3.32 3.68 -0.25 -1.92 116.67 130.88 1n6f s ASP 911 Ca 0.04 0.44 0.15 0.00 2.13 0.00 0.00 52.55 55.31 1n6f s ASP 911 Cb -0.27 -2.38 0.40 0.00 -1.45 0.00 0.00 42.92 39.22 1n6f s ASP 911 CO 0.02 -0.63 1.27 1.33 0.13 0.00 0.00 175.17 177.30 1n6f n VAL 912 N 5.61 2.15 -1.91 1.11 0.24 0.79 -1.69 118.33 124.62 1n6f n VAL 912 Ca 0.02 -2.45 -0.41 0.00 -2.04 0.00 0.00 64.34 59.46 1n6f n VAL 912 Cb 0.48 -0.26 -0.01 0.00 -1.47 0.00 0.00 33.84 32.59 1n6f n VAL 912 CO 0.00 0.00 0.00 -0.13 -2.14 0.00 0.00 176.83 174.56 1n6f s ARG 913 N -3.00 4.19 -0.59 7.34 0.52 -1.22 -1.84 118.95 124.36 1n6f s ARG 913 Ca 0.37 2.45 0.00 0.00 -0.52 0.00 0.00 55.73 58.03 1n6f s ARG 913 Cb 0.33 -3.02 0.00 0.00 0.52 0.00 0.00 34.95 32.78 1n6f s ARG 913 CO 0.02 -0.44 0.00 1.19 0.02 0.00 0.00 175.30 176.09 1n6f n PHE 914 N 0.96 0.00 -2.05 -0.53 3.01 -1.25 -4.86 117.46 112.75 1n6f n PHE 914 Ca 0.02 0.00 -0.42 0.00 1.01 0.00 0.00 57.45 58.06 1n6f n PHE 914 Cb 0.40 -1.51 -0.03 0.00 -0.01 0.00 0.00 39.48 38.34 1n6f n PHE 914 CO 0.00 0.00 0.00 1.21 1.01 0.00 0.00 176.76 178.98 1n6f s ASN 915 N -2.49 5.82 0.00 4.37 3.84 -0.76 -4.75 114.94 120.96 1n6f s ASN 915 Ca 0.00 1.05 0.09 0.00 0.21 0.00 0.00 52.86 54.21 1n6f s ASN 915 Cb 0.00 -2.53 0.51 0.00 -0.55 0.00 0.00 41.25 38.68 1n6f s ASN 915 CO 0.00 -1.81 0.94 0.61 -2.79 0.00 0.00 177.10 174.04 1n6f n GLY 916 N 5.43 -0.43 5.36 1.21 0.00 -0.96 -1.70 105.19 114.09 1n6f n GLY 916 Ca 0.22 -0.05 0.00 0.00 0.00 0.00 0.00 46.02 46.18 1n6f n GLY 916 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1n6f n GLY 917 N -0.11 -1.77 0.00 -0.02 0.00 -1.18 -4.78 105.19 97.33 1n6f n GLY 917 Ca 0.06 -1.52 0.00 0.00 0.00 0.00 0.00 46.02 44.57 1n6f n GLY 917 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1n6f n GLY 918 N 0.00 0.37 0.00 -0.02 0.00 -1.25 0.27 105.19 104.55 1n6f n GLY 918 Ca 0.00 -0.35 0.00 0.00 0.00 0.00 0.00 46.02 45.67 1n6f n GLY 918 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 173.32 175.29 1n6f n PHE 919 N 0.00 0.00 -0.45 1.61 -1.74 0.12 -4.54 117.46 112.46 1n6f n PHE 919 Ca 0.00 0.00 0.10 0.00 -0.56 0.00 0.00 57.45 56.99 1n6f n PHE 919 Cb 0.00 0.11 0.32 0.00 1.52 0.00 0.00 39.48 41.43 1n6f n PHE 919 CO 0.00 0.00 0.00 1.33 -0.56 0.00 0.00 176.76 177.53 1n6f n VAL 920 N 0.00 1.31 -0.27 1.97 0.24 -0.68 -4.52 118.33 116.39 1n6f n VAL 920 Ca 0.00 -1.09 0.04 0.00 -2.04 0.00 0.00 64.34 61.25 1n6f n VAL 920 Cb 0.31 0.36 0.18 0.00 -1.47 0.00 0.00 33.84 33.22 1n6f n VAL 920 CO 0.00 0.00 0.00 0.77 -2.14 0.00 0.00 176.83 175.46 1n6f h SER 921 N 3.95 0.48 -0.49 -1.34 4.64 -1.87 0.16 113.55 119.07 1n6f h SER 921 Ca 0.00 0.08 0.01 0.00 -0.47 0.00 0.00 61.79 61.41 1n6f h SER 921 Cb 1.13 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 63.20 1n6f h SER 921 CO 0.08 0.24 0.32 0.06 -0.87 0.00 0.00 176.83 176.67 1n6f h GLN 922 N 0.60 0.60 -0.19 4.77 3.07 -1.95 0.22 115.11 122.23 1n6f h GLN 922 Ca 0.40 -0.04 -0.12 0.00 0.09 0.00 0.00 58.65 58.98 1n6f h GLN 922 Cb 0.51 -0.14 -0.01 0.00 0.08 0.00 0.00 27.48 27.92 1n6f h GLN 922 CO -0.32 0.40 -0.41 -0.07 0.09 0.00 0.00 178.83 178.52 1n6f h LEU 923 N 0.62 0.47 -0.14 0.06 3.38 -1.04 -1.97 115.31 116.70 1n6f h LEU 923 Ca 0.19 -0.20 -0.09 0.00 0.09 0.00 0.00 57.88 57.86 1n6f h LEU 923 Cb -0.01 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 40.61 1n6f h LEU 923 CO -0.04 0.83 -0.27 0.40 0.09 0.00 0.00 178.44 179.44 1n6f h ILE 924 N 0.37 1.37 -0.55 1.22 1.08 -0.25 -3.10 117.51 117.64 1n6f h ILE 924 Ca 0.03 -1.54 0.04 0.00 -0.39 0.00 0.00 64.86 63.01 1n6f h ILE 924 Cb 0.87 2.01 -0.04 0.00 -3.07 0.00 0.00 36.82 36.59 1n6f h ILE 924 CO 0.07 0.46 0.31 0.40 -0.69 0.00 0.00 178.15 178.70 1n6f h ILE 925 N 0.04 1.00 -0.78 -0.67 1.08 -0.60 -2.00 117.51 115.57 1n6f h ILE 925 Ca 0.01 -0.20 0.18 0.00 -0.39 0.00 0.00 64.86 64.45 1n6f h ILE 925 Cb 0.87 0.35 -0.12 0.00 -3.07 0.00 0.00 36.82 34.85 1n6f h ILE 925 CO 0.06 0.11 0.21 -0.08 -0.69 0.00 0.00 178.15 177.76 1n6f h GLU 926 N 0.59 0.27 -0.05 2.37 4.81 -1.34 0.57 114.58 121.80 1n6f h GLU 926 Ca 0.24 -0.02 -0.02 0.00 -0.13 0.00 0.00 59.36 59.44 1n6f h GLU 926 Cb 0.10 -0.06 -0.00 0.00 0.63 0.00 0.00 28.75 29.42 1n6f h GLU 926 CO -0.14 0.18 -0.03 0.87 -0.73 0.00 0.00 179.01 179.16 1n6f h LYS 927 N 0.28 0.11 0.00 1.92 6.56 -1.34 -3.01 116.57 121.09 1n6f h LYS 927 Ca 0.45 -0.05 -0.02 0.00 -1.06 0.00 0.00 60.65 59.97 1n6f h LYS 927 Cb 0.80 -0.00 -0.00 0.00 -0.57 0.00 0.00 32.23 32.46 1n6f h LYS 927 CO -0.54 0.51 -0.09 -0.07 -2.06 0.00 0.00 179.45 177.21 1n6f h LEU 928 N -0.29 0.00 -0.94 2.94 3.38 -0.55 -2.33 115.31 117.52 1n6f h LEU 928 Ca 0.01 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.88 1n6f h LEU 928 Cb 0.48 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.22 1n6f h LEU 928 CO 0.01 0.09 -0.39 0.24 0.09 0.00 0.00 178.44 178.48 1n6f h MET 929 N 0.00 0.28 -6.37 1.13 2.86 0.22 -3.45 114.93 109.61 1n6f h MET 929 Ca -0.00 -0.13 -0.64 0.00 -2.06 0.00 0.00 59.70 56.87 1n6f h MET 929 Cb 0.24 -0.01 0.05 0.00 0.06 0.00 0.00 31.60 31.95 1n6f h MET 929 CO 0.01 0.63 0.62 0.09 1.06 0.00 0.00 176.91 179.32 1n6f n ASN 930 N -4.04 2.30 -4.51 1.22 5.03 -0.88 -4.97 115.26 109.40 1n6f n ASN 930 Ca -0.01 1.10 -0.35 0.00 0.87 0.00 0.00 54.58 56.18 1n6f n ASN 930 Cb 0.47 -1.29 -0.12 0.00 -1.02 0.00 0.00 39.78 37.82 1n6f n ASN 930 CO 0.00 0.00 0.00 -0.75 -1.83 0.00 0.00 177.26 174.68 1n6f s LYS 931 N 0.79 3.74 -0.24 3.52 2.20 -1.26 -4.12 119.74 124.37 1n6f s LYS 931 Ca 0.83 -0.45 -0.29 0.00 -0.36 0.00 0.00 55.97 55.69 1n6f s LYS 931 Cb -0.84 -3.19 -0.02 0.00 -1.51 0.00 0.00 37.83 32.28 1n6f s LYS 931 CO 0.44 0.05 1.52 0.50 -0.36 0.00 0.00 175.35 177.49 1n6f s ARG 932 N 0.95 3.84 0.00 4.03 3.52 -1.26 -4.37 118.95 125.66 1n6f s ARG 932 Ca 0.03 1.54 0.00 0.00 -0.13 0.00 0.00 55.73 57.17 1n6f s ARG 932 Cb -0.14 -3.98 0.00 0.00 -1.56 0.00 0.00 34.95 29.26 1n6f s ARG 932 CO 0.02 -1.23 0.62 0.44 -0.81 0.00 0.00 175.30 174.34 1n6f n ILE 933 N 6.33 0.35 -3.83 4.11 -5.35 -0.56 -4.97 119.36 115.42 1n6f n ILE 933 Ca 0.17 -0.57 -0.06 0.00 -0.27 0.00 0.00 62.75 62.02 1n6f n ILE 933 Cb 0.46 0.94 0.02 0.00 -1.74 0.00 0.00 39.64 39.31 1n6f n ILE 933 CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 1n6f s GLY 934 N -0.35 0.19 0.11 3.28 0.00 -1.07 -5.04 107.32 104.44 1n6f s GLY 934 Ca 0.00 -0.49 -0.09 0.00 0.00 0.00 0.00 44.72 44.14 1n6f s GLY 934 CO 0.00 0.76 0.22 -0.19 0.00 0.00 0.00 173.10 173.88 1n6f s TYR 935 N -2.46 0.23 -0.15 1.90 1.51 -1.26 -1.49 117.35 115.63 1n6f s TYR 935 Ca 0.17 -0.64 -0.02 0.00 -1.01 0.00 0.00 57.07 55.58 1n6f s TYR 935 Cb -0.04 -0.06 -0.02 0.00 -0.11 0.00 0.00 41.96 41.73 1n6f s TYR 935 CO 0.08 -0.59 -0.09 0.34 -1.11 0.00 0.00 175.55 174.17 1n6f s ASP 936 N -2.89 4.23 -0.42 2.29 3.68 0.13 -4.93 116.67 118.76 1n6f s ASP 936 Ca 0.09 -0.30 -0.10 0.00 2.13 0.00 0.00 52.55 54.37 1n6f s ASP 936 Cb 0.04 -1.67 0.07 0.00 -1.45 0.00 0.00 42.92 39.91 1n6f s ASP 936 CO -0.08 0.13 0.26 0.20 0.13 0.00 0.00 175.17 175.81 1n6f s ASN 937 N 0.60 5.68 0.23 -0.34 -0.87 -1.26 -2.39 114.94 116.59 1n6f s ASN 937 Ca -0.06 -1.43 -0.12 0.00 -1.57 0.00 0.00 52.86 49.68 1n6f s ASN 937 Cb -0.15 -2.00 -0.08 0.00 -0.02 0.00 0.00 41.25 39.00 1n6f s ASN 937 CO 0.03 -0.52 0.60 -2.16 -2.57 0.00 0.00 177.10 172.47 1n6f s PRO 938 N 1.46 3.91 0.17 -0.60 0.04 -1.26 -4.96 135.00 133.75 1n6f s PRO 938 Ca 0.03 0.45 -0.15 0.00 0.04 0.00 0.00 61.00 61.36 1n6f s PRO 938 Cb -0.23 -2.69 0.12 0.00 0.04 0.00 0.00 34.50 31.75 1n6f s PRO 938 CO 0.03 0.33 1.71 -0.09 0.04 0.00 0.00 177.00 179.02 1n6f h ARG 939 N 2.79 0.15 -4.59 4.56 9.65 -1.98 -3.39 114.38 121.55 1n6f h ARG 939 Ca -0.48 -0.01 -0.54 0.00 -1.10 0.00 0.00 59.98 57.86 1n6f h ARG 939 Cb 1.18 -0.03 -0.34 0.00 -1.39 0.00 0.00 29.97 29.38 1n6f h ARG 939 CO 0.67 0.10 -0.82 -0.98 2.80 0.00 0.00 179.97 181.74 1n6f s ARG 940 N -6.17 1.85 0.00 0.20 1.70 -1.26 -5.07 118.95 110.20 1n6f s ARG 940 Ca -0.13 -0.45 0.00 0.00 -0.47 0.00 0.00 55.73 54.68 1n6f s ARG 940 Cb 0.14 -1.55 0.00 0.00 -0.57 0.00 0.00 34.95 32.97 1n6f s ARG 940 CO 0.71 -0.01 0.00 0.41 -1.08 0.00 0.00 175.30 175.34 1n6f n GLY 941 N 3.97 0.59 3.88 3.88 0.00 -1.26 -5.10 105.19 111.14 1n6f n GLY 941 Ca -0.21 -2.16 -0.21 0.00 0.00 0.00 0.00 46.02 43.44 1n6f n GLY 941 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1n6f s THR 942 N -0.80 2.92 0.61 2.61 -4.23 -1.26 -4.80 115.64 110.69 1n6f s THR 942 Ca 0.00 -1.34 -0.19 0.00 -1.18 0.00 0.00 61.69 58.98 1n6f s THR 942 Cb 0.00 -3.05 -0.03 0.00 1.34 0.00 0.00 72.50 70.76 1n6f s THR 942 CO 0.00 -0.05 1.19 0.18 -0.54 0.00 0.00 174.62 175.40 1n6f n LEU 943 N -1.51 5.08 -3.99 4.79 4.77 -1.26 -4.65 117.00 120.23 1n6f n LEU 943 Ca 0.02 0.85 -0.30 0.00 -0.03 0.00 0.00 56.01 56.55 1n6f n LEU 943 Cb 0.61 -1.50 -0.16 0.00 -2.33 0.00 0.00 43.42 40.04 1n6f n LEU 943 CO 0.42 -1.23 -0.46 -0.55 -1.33 0.00 0.00 177.39 174.24 1n6f s SER 944 N -1.24 3.29 0.55 -1.43 0.15 -1.00 -4.93 113.70 109.09 1n6f s SER 944 Ca 0.78 -0.83 -0.20 0.00 0.70 0.00 0.00 55.95 56.40 1n6f s SER 944 Cb -0.40 -1.22 -0.05 0.00 -1.71 0.00 0.00 66.02 62.64 1n6f s SER 944 CO 0.44 -0.14 1.16 -2.16 1.20 0.00 0.00 173.24 173.75 1n6f s PRO 945 N 1.41 3.26 -0.16 5.44 0.04 -1.26 -0.70 135.00 143.04 1n6f s PRO 945 Ca -0.00 1.71 -0.00 0.00 0.04 0.00 0.00 61.00 62.74 1n6f s PRO 945 Cb -0.16 -2.02 0.04 0.00 0.04 0.00 0.00 34.50 32.40 1n6f s PRO 945 CO -0.08 -0.94 -0.06 -0.47 0.04 0.00 0.00 177.00 175.48 1n6f s TYR 946 N -1.68 1.72 0.93 0.56 5.04 -0.56 -3.02 117.35 120.34 1n6f s TYR 946 Ca 0.74 -1.07 -0.12 0.00 -2.44 0.00 0.00 57.07 54.17 1n6f s TYR 946 Cb -0.27 -1.33 0.15 0.00 0.35 0.00 0.00 41.96 40.86 1n6f s TYR 946 CO 0.30 -0.61 1.11 -2.14 -1.34 0.00 0.00 175.55 172.86 1n6f s PRO 947 N 1.63 1.02 0.07 4.97 0.02 -1.26 -1.50 135.00 139.95 1n6f s PRO 947 Ca 0.01 0.52 -0.18 0.00 0.02 0.00 0.00 61.00 61.37 1n6f s PRO 947 Cb -0.15 -1.81 -0.11 0.00 0.02 0.00 0.00 34.50 32.46 1n6f s PRO 947 CO -0.08 -2.33 1.40 1.15 -0.33 0.00 0.00 177.00 176.82 1n6f h THR 948 N -1.60 1.32 -0.89 0.99 2.02 -1.94 -3.19 112.91 109.62 1n6f h THR 948 Ca -0.51 -1.30 -0.50 0.00 0.77 0.00 0.00 66.41 64.87 1n6f h THR 948 Cb 1.31 1.67 -0.15 0.00 -1.74 0.00 0.00 68.15 69.25 1n6f h THR 948 CO 0.59 0.40 0.71 0.59 0.37 0.00 0.00 175.52 178.18 1n6f n ASN 949 N -4.45 6.61 -4.39 4.18 4.13 -1.26 -4.90 115.26 115.17 1n6f n ASN 949 Ca -0.05 -3.07 -0.32 0.00 1.68 0.00 0.00 54.58 52.83 1n6f n ASN 949 Cb 0.38 -1.29 -0.14 0.00 -1.54 0.00 0.00 39.78 37.19 1n6f n ASN 949 CO 0.00 0.00 0.00 -0.94 0.28 0.00 0.00 177.26 176.60 1n6f s SER 950 N 0.67 3.69 0.21 6.41 1.04 -1.21 -4.72 113.70 119.79 1n6f s SER 950 Ca 0.60 -0.32 -0.30 0.00 0.48 0.00 0.00 55.95 56.41 1n6f s SER 950 Cb 0.34 -0.89 -0.08 0.00 0.10 0.00 0.00 66.02 65.48 1n6f s SER 950 CO -0.16 0.29 1.13 -0.69 0.98 0.00 0.00 173.24 174.79 1n6f s VAL 951 N -0.43 3.66 0.08 5.02 1.01 -1.26 -4.76 120.40 123.72 1n6f s VAL 951 Ca 0.05 1.48 -0.17 0.00 0.00 0.00 0.00 61.98 63.34 1n6f s VAL 951 Cb -0.12 -3.94 -0.11 0.00 0.00 0.00 0.00 36.38 32.20 1n6f s VAL 951 CO 0.02 0.28 1.38 -0.09 0.00 0.00 0.00 175.10 176.68 1n6f h ARG 952 N 4.80 0.58 0.00 2.72 2.43 -1.45 -3.40 114.38 120.06 1n6f h ARG 952 Ca -0.45 -0.32 0.00 0.00 -0.81 0.00 0.00 59.98 58.40 1n6f h ARG 952 Cb 1.21 0.02 0.00 0.00 -0.42 0.00 0.00 29.97 30.78 1n6f h ARG 952 CO 0.72 0.91 0.00 0.41 -1.51 0.00 0.00 179.97 180.50 1n6f n GLY 953 N 0.22 4.48 3.75 2.80 0.00 -1.23 -4.96 105.19 110.26 1n6f n GLY 953 Ca -0.05 -0.84 -0.40 0.00 0.00 0.00 0.00 46.02 44.73 1n6f n GLY 953 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1n6f s LYS 954 N 4.54 4.76 -0.02 1.61 -0.14 -0.95 -4.88 119.74 124.65 1n6f s LYS 954 Ca 0.00 1.59 0.08 0.00 -1.36 0.00 0.00 55.97 56.28 1n6f s LYS 954 Cb 0.00 -3.22 -0.02 0.00 -1.68 0.00 0.00 37.83 32.91 1n6f s LYS 954 CO 0.00 0.39 -0.26 0.42 -0.76 0.00 0.00 175.35 175.14 1n6f s ILE 955 N -1.20 2.04 -0.03 2.17 1.01 -1.26 -0.20 121.20 123.73 1n6f s ILE 955 Ca 0.43 -1.10 0.03 0.00 0.00 0.00 0.00 60.65 60.01 1n6f s ILE 955 Cb -0.28 -1.69 0.00 0.00 0.01 0.00 0.00 42.46 40.50 1n6f s ILE 955 CO 0.35 0.57 -0.10 -0.51 0.00 0.00 0.00 174.94 175.25 1n6f s ILE 956 N -0.56 0.85 -0.13 2.92 2.07 -0.11 -3.86 121.20 122.38 1n6f s ILE 956 Ca 0.09 -0.40 -0.03 0.00 -1.41 0.00 0.00 60.65 58.90 1n6f s ILE 956 Cb -0.10 -0.75 -0.03 0.00 0.13 0.00 0.00 42.46 41.71 1n6f s ILE 956 CO -0.01 0.26 -0.02 0.00 -1.91 0.00 0.00 174.94 173.26 1n6f s ALA 957 N 0.16 3.10 -0.11 1.50 0.00 -0.39 -0.46 121.76 125.55 1n6f s ALA 957 Ca -0.03 -0.82 -0.01 0.00 0.00 0.00 0.00 51.96 51.10 1n6f s ALA 957 Cb -0.09 -1.52 -0.03 0.00 0.00 0.00 0.00 23.12 21.49 1n6f s ALA 957 CO 0.01 0.35 -0.07 0.42 0.00 0.00 0.00 175.76 176.47 1n6f s ILE 958 N -0.09 3.68 0.00 0.00 1.01 -0.81 0.29 121.20 125.28 1n6f s ILE 958 Ca 0.03 -0.46 -0.17 0.00 0.00 0.00 0.00 60.65 60.04 1n6f s ILE 958 Cb -0.13 -2.55 0.03 0.00 0.01 0.00 0.00 42.46 39.82 1n6f s ILE 958 CO 0.02 0.55 0.38 0.28 0.00 0.00 0.00 174.94 176.17 1n6f s THR 959 N -0.24 0.05 0.13 2.92 -1.32 0.77 -0.15 115.64 117.80 1n6f s THR 959 Ca 0.03 -0.44 0.01 0.00 -1.21 0.00 0.00 61.69 60.09 1n6f s THR 959 Cb -0.13 -0.78 -0.01 0.00 -1.51 0.00 0.00 72.50 70.08 1n6f s THR 959 CO 0.03 -0.24 0.05 -0.46 -2.21 0.00 0.00 174.62 171.79 1n6f n ASN 960 N 0.98 0.86 0.00 8.08 0.23 -1.26 -1.45 115.26 122.70 1n6f n ASN 960 Ca -0.20 -1.72 0.07 0.00 -0.53 0.00 0.00 54.58 52.20 1n6f n ASN 960 Cb 0.57 0.37 0.41 0.00 -2.08 0.00 0.00 39.78 39.05 1n6f n ASN 960 CO 0.00 0.00 0.00 -1.84 -0.93 0.00 0.00 177.26 174.49 1n6f n GLU 961 N -0.29 0.52 -0.29 -3.83 0.00 -1.19 -2.79 120.64 112.77 1n6f n GLU 961 Ca -0.01 0.00 0.09 0.00 0.00 0.00 0.00 57.16 57.24 1n6f n GLU 961 Cb 0.20 -1.41 0.25 0.00 0.00 0.00 0.00 31.44 30.48 1n6f n GLU 961 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.13 177.79 1n6f n TYR 962 N -0.91 0.77 -4.02 -1.84 0.53 -1.26 -3.52 117.16 106.90 1n6f n TYR 962 Ca 0.10 -0.50 -0.35 0.00 -1.02 0.00 0.00 57.90 56.13 1n6f n TYR 962 Cb 0.05 -0.02 -0.12 0.00 -1.03 0.00 0.00 39.34 38.22 1n6f n TYR 962 CO 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 176.86 175.84 1n6f s ALA 963 N -1.03 3.19 0.31 -0.72 0.00 -1.12 -3.28 121.76 119.11 1n6f s ALA 963 Ca 0.38 -0.92 -0.04 0.00 0.00 0.00 0.00 51.96 51.38 1n6f s ALA 963 Cb 0.20 -1.87 -0.00 0.00 0.00 0.00 0.00 23.12 21.44 1n6f s ALA 963 CO 0.25 -0.07 0.43 0.20 0.00 0.00 0.00 175.76 176.57 1n6f s GLY 964 N 0.86 1.29 0.00 0.00 0.00 -0.69 -1.52 107.32 107.26 1n6f s GLY 964 Ca 0.02 -1.41 0.00 0.00 0.00 0.00 0.00 44.72 43.33 1n6f s GLY 964 CO 0.02 -0.97 0.00 -1.14 0.00 0.00 0.00 173.10 171.01 1n6f n SER 965 N -1.06 0.00 0.12 1.64 3.41 -0.97 0.93 113.62 117.69 1n6f n SER 965 Ca 0.01 0.00 0.10 0.00 -0.26 0.00 0.00 58.87 58.72 1n6f n SER 965 Cb 0.62 0.00 0.47 0.00 -0.26 0.00 0.00 64.21 65.04 1n6f n SER 965 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 1n6f n ASP 966 N 8.82 0.50 -0.06 4.04 2.03 -1.26 -0.19 116.55 130.43 1n6f n ASP 966 Ca 0.00 0.68 -0.14 0.00 0.52 0.00 0.00 54.79 55.85 1n6f n ASP 966 Cb 0.00 -0.76 -0.07 0.00 -0.72 0.00 0.00 41.12 39.57 1n6f n ASP 966 CO 0.00 0.00 0.00 1.23 -1.92 0.00 0.00 177.20 176.51 1n6f h GLY 967 N 1.08 0.57 0.80 0.27 0.00 0.33 0.21 103.07 106.32 1n6f h GLY 967 Ca 0.00 -0.64 -0.01 0.00 0.00 0.00 0.00 47.33 46.69 1n6f h GLY 967 CO 0.00 0.57 -0.05 -0.55 0.00 0.00 0.00 176.54 176.51 1n6f h ASP 968 N 0.17 -0.12 -0.37 0.19 3.32 -0.60 -2.30 116.42 116.71 1n6f h ASP 968 Ca 0.02 -0.17 0.08 0.00 0.02 0.00 0.00 57.03 56.97 1n6f h ASP 968 Cb 0.87 0.03 -0.09 0.00 0.22 0.00 0.00 39.33 40.36 1n6f h ASP 968 CO 0.07 0.11 -0.27 0.40 -1.72 0.00 0.00 179.24 177.82 1n6f h ILE 969 N -0.34 0.32 -0.06 0.35 1.08 -0.84 -1.08 117.51 116.93 1n6f h ILE 969 Ca -0.01 0.00 0.03 0.00 -0.39 0.00 0.00 64.86 64.49 1n6f h ILE 969 Cb 0.28 0.32 -0.04 0.00 -3.07 0.00 0.00 36.82 34.31 1n6f h ILE 969 CO 0.02 0.00 -0.15 0.15 -0.69 0.00 0.00 178.15 177.49 1n6f h PHE 970 N -0.21 -0.38 -0.27 1.37 3.57 -0.89 0.62 116.94 120.75 1n6f h PHE 970 Ca 0.18 0.02 0.05 0.00 3.53 0.00 0.00 57.97 61.74 1n6f h PHE 970 Cb 0.49 0.18 -0.05 0.00 2.79 0.00 0.00 35.95 39.37 1n6f h PHE 970 CO -0.48 -0.22 -0.04 0.77 -2.23 0.00 0.00 178.31 176.12 1n6f h SER 971 N -0.22 -0.18 -0.54 0.41 0.02 -0.99 0.23 113.55 112.28 1n6f h SER 971 Ca 0.07 0.07 -0.01 0.00 -0.84 0.00 0.00 61.79 61.08 1n6f h SER 971 Cb 0.31 0.14 -0.03 0.00 0.14 0.00 0.00 62.40 62.97 1n6f h SER 971 CO -0.19 -0.06 0.29 0.15 -1.14 0.00 0.00 176.83 175.88 1n6f h PHE 972 N 0.03 0.74 -0.59 3.45 3.57 -0.95 -2.68 116.94 120.52 1n6f h PHE 972 Ca 0.13 -0.02 -0.07 0.00 3.53 0.00 0.00 57.97 61.54 1n6f h PHE 972 Cb 0.18 -0.24 -0.02 0.00 2.79 0.00 0.00 35.95 38.66 1n6f h PHE 972 CO -0.24 0.55 0.10 0.77 -2.23 0.00 0.00 178.31 177.26 1n6f h SER 973 N 0.72 0.94 -0.92 0.41 0.02 -0.37 -0.63 113.55 113.71 1n6f h SER 973 Ca 0.19 -0.26 0.08 0.00 -0.84 0.00 0.00 61.79 60.96 1n6f h SER 973 Cb 0.06 -0.25 -0.07 0.00 0.14 0.00 0.00 62.40 62.28 1n6f h SER 973 CO -0.03 0.96 0.57 0.15 -1.14 0.00 0.00 176.83 177.34 1n6f h PHE 974 N 0.88 1.05 0.49 3.45 3.57 -0.37 -0.83 116.94 125.17 1n6f h PHE 974 Ca 0.18 0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.69 1n6f h PHE 974 Cb 0.42 -0.34 0.00 0.00 2.79 0.00 0.00 35.95 38.83 1n6f h PHE 974 CO 0.03 0.49 -0.23 0.87 -2.23 0.00 0.00 178.31 177.23 1n6f h LYS 975 N 0.99 -0.63 -0.81 1.11 1.57 -1.14 -2.40 116.57 115.25 1n6f h LYS 975 Ca 0.42 0.04 0.18 0.00 -1.87 0.00 0.00 60.65 59.43 1n6f h LYS 975 Cb 0.29 0.14 -0.15 0.00 0.08 0.00 0.00 32.23 32.59 1n6f h LYS 975 CO -0.21 -0.39 -0.10 -0.22 -0.57 0.00 0.00 179.45 177.95 1n6f h LYS 976 N -1.15 0.04 -0.00 3.15 1.63 -0.90 0.79 116.57 120.13 1n6f h LYS 976 Ca -0.07 -0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.73 1n6f h LYS 976 Cb 0.53 -0.01 0.00 0.00 -0.60 0.00 0.00 32.23 32.15 1n6f h LYS 976 CO 0.11 0.02 0.00 1.28 -3.45 0.00 0.00 179.45 177.41 1n6f n LEU 977 N -5.46 0.05 -3.99 5.20 4.77 -0.34 -4.92 117.00 112.32 1n6f n LEU 977 Ca 0.14 -0.02 -0.28 0.00 -0.03 0.00 0.00 56.01 55.81 1n6f n LEU 977 Cb 0.48 -0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.55 1n6f n LEU 977 CO -0.01 0.01 -0.12 0.61 -1.33 0.00 0.00 177.39 176.55 1n6f n GLY 978 N 0.92 -0.32 0.25 -0.72 0.00 0.28 -4.85 105.19 100.75 1n6f n GLY 978 Ca 0.20 0.15 0.15 0.00 0.00 0.00 0.00 46.02 46.52 1n6f n GLY 978 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1n6f h LEU 979 N -1.80 0.00 0.00 0.99 4.07 -1.66 -3.48 115.31 113.44 1n6f h LEU 979 Ca -0.61 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.35 1n6f h LEU 979 Cb 1.38 0.00 0.00 0.00 1.08 0.00 0.00 40.66 43.12 1n6f h LEU 979 CO 0.66 0.01 0.00 0.61 -1.08 0.00 0.00 178.44 178.65 1n6f n GLY 980 N 0.42 -1.32 3.81 0.83 0.00 -1.26 -4.37 105.19 103.29 1n6f n GLY 980 Ca 0.02 -1.02 -0.36 0.00 0.00 0.00 0.00 46.02 44.65 1n6f n GLY 980 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1n6f s LYS 981 N -1.05 4.25 -0.26 1.61 -0.14 -1.25 -4.74 119.74 118.16 1n6f s LYS 981 Ca 0.00 0.86 -0.09 0.00 -1.36 0.00 0.00 55.97 55.38 1n6f s LYS 981 Cb 0.00 -2.92 -0.04 0.00 -1.68 0.00 0.00 37.83 33.19 1n6f s LYS 981 CO 0.00 0.42 0.13 -1.17 -0.76 0.00 0.00 175.35 173.97 1n6f s LEU 982 N -1.89 3.78 0.07 3.17 2.96 -1.26 -1.26 118.68 124.25 1n6f s LEU 982 Ca 0.42 -0.08 0.08 0.00 -0.22 0.00 0.00 54.13 54.33 1n6f s LEU 982 Cb -0.17 -2.03 -0.03 0.00 0.50 0.00 0.00 46.19 44.45 1n6f s LEU 982 CO 0.21 -0.02 -0.19 -0.63 -1.32 0.00 0.00 176.35 174.40 1n6f s ILE 983 N 1.57 2.73 0.00 6.68 1.09 0.14 -0.13 121.20 133.28 1n6f s ILE 983 Ca 0.07 -1.33 0.00 0.00 -1.10 0.00 0.00 60.65 58.29 1n6f s ILE 983 Cb -0.15 -2.18 0.00 0.00 -1.06 0.00 0.00 42.46 39.07 1n6f s ILE 983 CO 0.07 0.25 0.00 0.61 -0.10 0.00 0.00 174.94 175.77 1n6f n GLY 984 N 1.31 0.45 3.03 6.18 0.00 -1.06 -0.16 105.19 114.94 1n6f n GLY 984 Ca -0.16 -1.19 -0.11 0.00 0.00 0.00 0.00 46.02 44.56 1n6f n GLY 984 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1n6f s THR 985 N -0.94 0.35 0.16 2.61 -4.23 -0.53 0.26 115.64 113.32 1n6f s THR 985 Ca 0.00 -1.05 -0.32 0.00 -1.18 0.00 0.00 61.69 59.14 1n6f s THR 985 Cb 0.00 -0.51 -0.17 0.00 1.34 0.00 0.00 72.50 73.16 1n6f s THR 985 CO 0.00 -0.46 0.89 -1.14 -0.54 0.00 0.00 174.62 173.36 1n6f n ARG 986 N 1.44 0.51 -1.93 3.99 0.63 -1.26 -3.88 116.66 116.17 1n6f n ARG 986 Ca -0.23 0.18 -0.29 0.00 -0.92 0.00 0.00 57.85 56.59 1n6f n ARG 986 Cb 0.55 -1.48 0.14 0.00 0.45 0.00 0.00 32.46 32.12 1n6f n ARG 986 CO 0.00 0.00 0.00 0.95 -2.51 0.00 0.00 177.63 176.07 1n6f s THR 987 N -0.56 2.01 0.19 5.15 -4.23 -0.86 -3.19 115.64 114.15 1n6f s THR 987 Ca 0.72 -0.01 -0.24 0.00 -1.18 0.00 0.00 61.69 60.97 1n6f s THR 987 Cb -0.95 -2.99 0.08 0.00 1.34 0.00 0.00 72.50 69.97 1n6f s THR 987 CO 0.56 0.00 1.55 -0.25 -0.54 0.00 0.00 174.62 175.94 1n6f h TRP 988 N -1.34 -1.41 -0.13 3.99 7.01 -1.31 -1.81 115.95 120.95 1n6f h TRP 988 Ca -0.45 0.11 0.00 0.00 2.11 0.00 0.00 58.89 60.65 1n6f h TRP 988 Cb 1.28 0.73 0.00 0.00 -2.10 0.00 0.00 29.16 29.07 1n6f h TRP 988 CO -0.45 -0.40 0.00 0.41 -2.79 0.00 0.00 178.44 175.21 1n6f n GLY 989 N -1.38 1.29 2.86 2.65 0.00 -1.26 -2.71 105.19 106.63 1n6f n GLY 989 Ca 0.05 -0.25 -0.30 0.00 0.00 0.00 0.00 46.02 45.52 1n6f n GLY 989 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1n6f s GLY 990 N -2.31 1.18 -0.37 -0.02 0.00 -1.26 0.12 107.32 104.67 1n6f s GLY 990 Ca 0.00 -1.40 0.13 0.00 0.00 0.00 0.00 44.72 43.45 1n6f s GLY 990 CO 0.00 1.18 1.02 3.33 0.00 0.00 0.00 173.10 178.63 1n6f n VAL 991 N 4.75 1.56 -3.94 1.40 0.24 -1.26 -2.29 118.33 118.79 1n6f n VAL 991 Ca -0.08 -3.84 -0.30 0.00 -2.04 0.00 0.00 64.34 58.08 1n6f n VAL 991 Cb 0.44 -0.14 -0.14 0.00 -1.47 0.00 0.00 33.84 32.53 1n6f n VAL 991 CO 0.00 0.00 0.00 -0.69 -2.14 0.00 0.00 176.83 174.00 1n6f s VAL 992 N -4.13 2.24 0.73 3.34 1.01 -1.26 -2.28 120.40 120.05 1n6f s VAL 992 Ca 0.36 -2.71 -0.16 0.00 0.00 0.00 0.00 61.98 59.46 1n6f s VAL 992 Cb 0.43 -2.60 -0.07 0.00 0.00 0.00 0.00 36.38 34.14 1n6f s VAL 992 CO -0.06 -0.72 0.24 0.61 0.00 0.00 0.00 175.10 175.18 1n6f n GLY 993 N 3.75 -2.24 2.93 4.51 0.00 0.45 -4.43 105.19 110.16 1n6f n GLY 993 Ca 0.04 -0.42 -0.16 0.00 0.00 0.00 0.00 46.02 45.49 1n6f n GLY 993 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1n6f s ILE 994 N -1.96 0.35 -0.37 -0.61 -5.25 -1.26 -0.26 121.20 111.83 1n6f s ILE 994 Ca 0.60 -0.16 0.02 0.00 -0.99 0.00 0.00 60.65 60.12 1n6f s ILE 994 Cb -0.35 -0.32 0.15 0.00 2.95 0.00 0.00 42.46 44.90 1n6f s ILE 994 CO 0.63 0.11 0.29 -0.89 -1.79 0.00 0.00 174.94 173.29 1n6f s THR 995 N 0.05 0.01 0.55 8.37 2.01 -1.26 -5.04 115.64 120.33 1n6f s THR 995 Ca -0.00 -1.67 -0.21 0.00 0.31 0.00 0.00 61.69 60.12 1n6f s THR 995 Cb -0.04 -0.98 -0.05 0.00 0.01 0.00 0.00 72.50 71.44 1n6f s THR 995 CO -0.00 -0.90 1.32 -2.16 -0.69 0.00 0.00 174.62 172.19 1n6f s PRO 996 N 0.97 3.15 0.00 4.92 0.04 -1.26 -4.94 135.00 137.88 1n6f s PRO 996 Ca 0.21 2.14 0.00 0.00 0.04 0.00 0.00 61.00 63.39 1n6f s PRO 996 Cb -0.15 -2.21 0.00 0.00 0.04 0.00 0.00 34.50 32.17 1n6f s PRO 996 CO -0.04 -1.15 0.39 0.36 0.04 0.00 0.00 177.00 176.60 1n6f n LYS 997 N -1.08 0.00 -3.81 4.56 2.85 -1.26 -5.08 118.16 114.34 1n6f n LYS 997 Ca 0.11 -0.39 -0.12 0.00 -1.05 0.00 0.00 58.31 56.85 1n6f n LYS 997 Cb 0.46 -0.45 -0.11 0.00 -0.65 0.00 0.00 35.03 34.28 1n6f n LYS 997 CO 0.00 0.00 0.00 0.50 -0.05 0.00 0.00 177.40 177.85 1n6f s ARG 998 N 0.00 0.31 0.40 -1.58 3.52 -1.26 -5.15 118.95 115.19 1n6f s ARG 998 Ca 0.00 0.18 0.08 0.00 -0.13 0.00 0.00 55.73 55.86 1n6f s ARG 998 Cb 0.00 0.14 -0.05 0.00 -1.56 0.00 0.00 34.95 33.49 1n6f s ARG 998 CO 0.00 -0.05 0.21 1.03 -0.81 0.00 0.00 175.30 175.68 1n6f s ARG 999 N -0.17 2.30 0.26 5.12 0.52 -1.26 -4.47 118.95 121.25 1n6f s ARG 999 Ca -0.03 -1.75 -0.05 0.00 -0.52 0.00 0.00 55.73 53.38 1n6f s ARG 999 Cb -0.03 -2.08 -0.05 0.00 0.52 0.00 0.00 34.95 33.31 1n6f s ARG 999 CO 0.01 -0.10 0.52 -0.51 0.02 0.00 0.00 175.30 175.24 1n6f s LEU 1000N -3.94 4.11 0.65 2.53 1.43 0.97 -4.93 118.68 119.50 1n6f s LEU 1000Ca 0.42 0.70 0.18 0.00 -1.03 0.00 0.00 54.13 54.41 1n6f s LEU 1000Cb 0.02 -3.50 0.97 0.00 0.03 0.00 0.00 46.19 43.71 1n6f s LEU 1000CO 0.24 -0.14 1.54 0.16 0.23 0.00 0.00 176.35 178.37 1n6f h ILE 1001N 1.53 0.03 -0.73 -0.59 3.07 -1.92 1.26 117.51 120.15 1n6f h ILE 1001Ca -0.47 0.00 0.00 0.00 1.55 0.00 0.00 64.86 65.94 1n6f h ILE 1001Cb 1.18 0.37 0.00 0.00 -0.27 0.00 0.00 36.82 38.11 1n6f h ILE 1001CO 0.67 0.00 0.00 -0.90 -1.05 0.00 0.00 178.15 176.87 1n6f n ASP 1002N -2.83 3.97 0.00 2.16 5.75 -1.26 -3.90 116.55 120.44 1n6f n ASP 1002Ca 0.01 -2.00 0.00 0.00 -0.01 0.00 0.00 54.79 52.79 1n6f n ASP 1002Cb 0.70 -0.49 0.00 0.00 -1.03 0.00 0.00 41.12 40.31 1n6f n ASP 1002CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1n6f n GLY 1003N 1.66 1.56 3.65 6.12 0.00 0.43 -3.86 105.19 114.75 1n6f n GLY 1003Ca 0.25 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.84 1n6f n GLY 1003CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1n6f n THR 1004N -2.00 2.21 -3.93 2.61 -1.04 -1.24 -4.04 114.28 106.86 1n6f n THR 1004Ca 0.00 -0.50 -0.34 0.00 -2.04 0.00 0.00 64.05 61.17 1n6f n THR 1004Cb 0.00 -1.31 -0.14 0.00 -1.82 0.00 0.00 70.33 67.07 1n6f n THR 1004CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 1n6f s VAL 1005N -1.16 2.83 0.22 12.58 1.01 0.30 -0.02 120.40 136.16 1n6f s VAL 1005Ca 0.59 -1.60 -0.05 0.00 0.00 0.00 0.00 61.98 60.92 1n6f s VAL 1005Cb -0.59 -2.71 -0.06 0.00 0.00 0.00 0.00 36.38 33.03 1n6f s VAL 1005CO 0.59 -0.21 0.48 -0.76 0.00 0.00 0.00 175.10 175.21 1n6f s LEU 1006N 1.18 4.16 0.13 3.92 1.43 -1.26 -0.92 118.68 127.32 1n6f s LEU 1006Ca -0.03 0.69 0.10 0.00 -1.03 0.00 0.00 54.13 53.86 1n6f s LEU 1006Cb -0.20 -3.46 -0.04 0.00 0.03 0.00 0.00 46.19 42.52 1n6f s LEU 1006CO -0.03 -0.08 -0.25 0.42 0.23 0.00 0.00 176.35 176.64 1n6f s THR 1007N -1.88 2.15 -0.04 5.49 -4.23 -0.33 -4.78 115.64 112.02 1n6f s THR 1007Ca 0.43 -1.74 0.01 0.00 -1.18 0.00 0.00 61.69 59.21 1n6f s THR 1007Cb -0.11 -1.92 0.02 0.00 1.34 0.00 0.00 72.50 71.83 1n6f s THR 1007CO 0.26 0.04 -0.05 -1.10 -0.54 0.00 0.00 174.62 173.24 1n6f s GLN 1008N -2.08 0.86 -0.61 3.99 1.11 -1.25 -3.59 119.66 118.08 1n6f s GLN 1008Ca 0.13 -0.11 -0.26 0.00 0.01 0.00 0.00 55.36 55.13 1n6f s GLN 1008Cb -0.10 -0.86 -0.08 0.00 -1.01 0.00 0.00 33.01 30.97 1n6f s GLN 1008CO 0.06 -0.08 2.30 -1.25 0.01 0.00 0.00 175.29 176.33 1n6f s PRO 1009N 0.91 2.08 -0.02 2.91 0.04 -1.23 -4.60 135.00 135.10 1n6f s PRO 1009Ca -0.11 0.95 0.15 0.00 0.04 0.00 0.00 61.00 62.02 1n6f s PRO 1009Cb -0.14 -4.64 -0.23 0.00 0.04 0.00 0.00 34.50 29.53 1n6f s PRO 1009CO 0.00 -3.49 0.33 -1.91 0.04 0.00 0.00 177.00 171.97 1n6f n GLU 1010N 8.98 0.49 -3.97 4.56 2.13 -0.37 -0.70 120.64 131.77 1n6f n GLU 1010Ca 0.37 -0.13 -0.30 0.00 0.66 0.00 0.00 57.16 57.75 1n6f n GLU 1010Cb 0.51 -1.35 -0.14 0.00 0.27 0.00 0.00 31.44 30.73 1n6f n GLU 1010CO 0.00 0.00 0.00 -0.06 -0.41 0.00 0.00 177.13 176.66 1n6f s PHE 1011N -3.00 3.36 -0.22 4.31 0.40 0.64 -4.27 117.98 119.19 1n6f s PHE 1011Ca -0.05 -3.04 -0.29 0.00 -0.60 0.00 0.00 56.93 52.95 1n6f s PHE 1011Cb 0.09 -2.81 -0.01 0.00 0.51 0.00 0.00 43.02 40.81 1n6f s PHE 1011CO 0.61 -0.84 1.29 0.00 0.70 0.00 0.00 175.22 176.98 1n6f s ALA 1012N 0.31 3.54 -0.19 5.36 0.00 -1.26 0.17 121.76 129.68 1n6f s ALA 1012Ca 0.14 0.32 -0.28 0.00 0.00 0.00 0.00 51.96 52.15 1n6f s ALA 1012Cb -0.23 -3.69 -0.00 0.00 0.00 0.00 0.00 23.12 19.20 1n6f s ALA 1012CO -0.04 -1.42 0.95 0.12 0.00 0.00 0.00 175.76 175.37 1n6f s PHE 1013N 3.89 3.39 -0.26 0.00 5.36 -0.97 -4.97 117.98 124.42 1n6f s PHE 1013Ca 0.56 1.40 -0.05 0.00 -0.96 0.00 0.00 56.93 57.87 1n6f s PHE 1013Cb -0.20 -3.16 0.00 0.00 -0.34 0.00 0.00 43.02 39.32 1n6f s PHE 1013CO 0.18 -0.36 0.03 -0.46 -1.46 0.00 0.00 175.22 173.15 1n6f s TRP 1014N 2.65 3.08 0.12 10.12 -0.00 -1.26 -4.45 118.94 129.19 1n6f s TRP 1014Ca 0.42 -0.97 -0.07 0.00 -0.00 0.00 0.00 56.10 55.48 1n6f s TRP 1014Cb -0.16 -2.19 -0.06 0.00 -0.00 0.00 0.00 33.47 31.07 1n6f s TRP 1014CO 0.10 -0.56 0.39 -0.06 -0.00 0.00 0.00 176.95 176.83 1n6f s PHE 1015N 1.49 3.52 0.18 5.86 2.99 0.21 -4.94 117.98 127.30 1n6f s PHE 1015Ca 0.04 0.68 -0.30 0.00 0.00 0.00 0.00 56.93 57.34 1n6f s PHE 1015Cb -0.16 -2.09 -0.08 0.00 0.00 0.00 0.00 43.02 40.70 1n6f s PHE 1015CO 0.00 0.46 1.13 0.50 -0.00 0.00 0.00 175.22 177.32 1n6f s ARG 1016N -2.32 4.56 -1.32 0.44 3.52 -1.26 -0.79 118.95 121.77 1n6f s ARG 1016Ca 0.38 1.77 0.00 0.00 -0.13 0.00 0.00 55.73 57.75 1n6f s ARG 1016Cb -0.13 -3.26 0.00 0.00 -1.56 0.00 0.00 34.95 30.00 1n6f s ARG 1016CO 0.21 0.02 0.00 -0.25 -0.81 0.00 0.00 175.30 174.48 1n6f n ASP 1017N 2.38 -4.45 0.00 -2.12 10.43 -1.26 -4.68 116.55 116.85 1n6f n ASP 1017Ca 0.03 0.20 0.00 0.00 2.57 0.00 0.00 54.79 57.60 1n6f n ASP 1017Cb 0.46 -3.31 0.00 0.00 1.84 0.00 0.00 41.12 40.10 1n6f n ASP 1017CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 1n6f n ALA 1018N 0.18 0.00 -0.51 2.24 0.00 -1.18 -5.12 120.51 116.12 1n6f n ALA 1018Ca -0.14 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.30 1n6f n ALA 1018Cb 0.51 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.96 1n6f n ALA 1018CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1n6f n GLY 1019N 0.00 3.03 1.14 0.00 0.00 0.03 -0.50 105.19 108.88 1n6f n GLY 1019Ca 0.00 -0.06 0.11 0.00 0.00 0.00 0.00 46.02 46.07 1n6f n GLY 1019CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1n6f n PHE 1020N 14.00 0.69 -0.49 1.61 3.01 -1.26 -0.61 117.46 134.40 1n6f n PHE 1020Ca 0.00 -0.34 0.41 0.00 1.01 0.00 0.00 57.45 58.52 1n6f n PHE 1020Cb 0.00 0.00 0.67 0.00 -0.01 0.00 0.00 39.48 40.14 1n6f n PHE 1020CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1n6f n GLY 1021N 1.50 -0.83 0.26 1.37 0.00 0.34 0.02 105.19 107.84 1n6f n GLY 1021Ca 0.21 0.73 0.03 0.00 0.00 0.00 0.00 46.02 46.98 1n6f n GLY 1021CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1n6f h VAL 1022N 0.00 1.15 -3.02 1.61 2.07 -1.81 -3.40 116.25 112.84 1n6f h VAL 1022Ca 0.86 -0.60 -0.53 0.00 0.82 0.00 0.00 66.70 67.26 1n6f h VAL 1022Cb 2.87 1.02 0.06 0.00 -1.52 0.00 0.00 31.29 33.72 1n6f h VAL 1022CO -0.40 0.20 0.90 -0.70 0.02 0.00 0.00 177.57 177.58 1n6f s GLU 1023N -4.93 4.17 -1.33 1.57 2.56 0.10 -0.91 118.70 119.93 1n6f s GLU 1023Ca -0.06 2.48 -0.02 0.00 0.00 0.00 0.00 54.97 57.37 1n6f s GLU 1023Cb 0.16 -3.09 0.00 0.00 2.00 0.00 0.00 34.13 33.20 1n6f s GLU 1023CO 0.73 -0.62 0.20 -1.71 -0.56 0.00 0.00 175.26 173.30 1n6f n ASN 1024N 3.19 -5.00 0.02 -1.70 4.05 0.33 -4.77 115.26 111.37 1n6f n ASN 1024Ca 0.12 -0.10 0.00 0.00 0.45 0.00 0.00 54.58 55.04 1n6f n ASN 1024Cb 0.38 -4.00 0.00 0.00 1.23 0.00 0.00 39.78 37.38 1n6f n ASN 1024CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 1n6f n TYR 1025N -4.12 -1.86 -0.48 1.20 9.36 -0.77 -3.91 117.16 116.58 1n6f n TYR 1025Ca -0.15 0.12 0.00 0.00 3.32 0.00 0.00 57.90 61.19 1n6f n TYR 1025Cb 0.63 0.74 0.00 0.00 -0.63 0.00 0.00 39.34 40.08 1n6f n TYR 1025CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 1n6f n GLY 1026N -0.44 -1.85 3.22 2.98 0.00 -0.09 -3.35 105.19 105.66 1n6f n GLY 1026Ca 0.00 -1.93 -0.30 0.00 0.00 0.00 0.00 46.02 43.79 1n6f n GLY 1026CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1n6f s VAL 1027N 0.00 1.89 -0.09 1.61 1.01 -1.26 -4.71 120.40 118.84 1n6f s VAL 1027Ca 0.00 -0.96 -0.19 0.00 0.00 0.00 0.00 61.98 60.82 1n6f s VAL 1027Cb 0.00 -1.61 -0.04 0.00 0.00 0.00 0.00 36.38 34.72 1n6f s VAL 1027CO 0.00 0.53 0.54 -1.81 0.00 0.00 0.00 175.10 174.35 1n6f s ASP 1028N 0.02 6.78 0.34 3.32 -0.00 -1.26 -2.03 116.67 123.84 1n6f s ASP 1028Ca -0.07 0.93 -0.26 0.00 -0.00 0.00 0.00 52.55 53.16 1n6f s ASP 1028Cb -0.14 -2.32 -0.10 0.00 -0.00 0.00 0.00 42.92 40.36 1n6f s ASP 1028CO 0.05 -0.01 0.98 -2.16 -0.00 0.00 0.00 175.17 174.02 1n6f s PRO 1029N 0.55 4.47 0.30 8.23 0.04 -1.26 -4.95 135.00 142.38 1n6f s PRO 1029Ca 0.29 1.38 0.05 0.00 0.04 0.00 0.00 61.00 62.76 1n6f s PRO 1029Cb -0.16 -2.73 0.73 0.00 0.04 0.00 0.00 34.50 32.38 1n6f s PRO 1029CO 0.13 0.17 1.75 -0.44 0.04 0.00 0.00 177.00 178.65 1n6f h ASP 1030N 2.99 0.66 -3.23 6.66 3.32 -0.91 -3.36 116.42 122.54 1n6f h ASP 1030Ca -0.47 0.11 -0.58 0.00 0.02 0.00 0.00 57.03 56.11 1n6f h ASP 1030Cb 1.20 0.01 -0.37 0.00 0.22 0.00 0.00 39.33 40.39 1n6f h ASP 1030CO 0.64 0.19 -0.81 -0.69 -1.72 0.00 0.00 179.24 176.85 1n6f s VAL 1031N -5.86 1.37 0.10 -1.35 1.01 -0.91 -5.02 120.40 109.74 1n6f s VAL 1031Ca -0.11 -0.63 -0.29 0.00 0.00 0.00 0.00 61.98 60.95 1n6f s VAL 1031Cb 0.25 -1.39 -0.06 0.00 0.00 0.00 0.00 36.38 35.18 1n6f s VAL 1031CO 0.79 0.32 0.91 -0.70 0.00 0.00 0.00 175.10 176.43 1n6f s GLU 1032N 1.55 4.65 -0.24 2.72 2.12 -1.26 -2.55 118.70 125.70 1n6f s GLU 1032Ca 0.03 1.36 -0.04 0.00 0.36 0.00 0.00 54.97 56.68 1n6f s GLU 1032Cb -0.14 -3.37 0.08 0.00 0.26 0.00 0.00 34.13 30.97 1n6f s GLU 1032CO -0.09 0.24 0.13 0.42 -0.54 0.00 0.00 175.26 175.42 1n6f s ILE 1033N -0.06 -0.11 1.01 -3.70 1.09 0.14 -4.87 121.20 114.69 1n6f s ILE 1033Ca 0.45 -0.46 -0.12 0.00 -1.10 0.00 0.00 60.65 59.41 1n6f s ILE 1033Cb -0.23 -0.79 0.19 0.00 -1.06 0.00 0.00 42.46 40.57 1n6f s ILE 1033CO 0.28 -0.50 1.10 -1.61 -0.10 0.00 0.00 174.94 174.11 1n6f s GLU 1034N 2.14 0.37 -0.46 2.79 0.41 -1.26 -4.37 118.70 118.31 1n6f s GLU 1034Ca 0.06 0.48 0.06 0.00 -0.41 0.00 0.00 54.97 55.16 1n6f s GLU 1034Cb -0.16 -1.73 0.21 0.00 -1.78 0.00 0.00 34.13 30.67 1n6f s GLU 1034CO -0.24 -2.76 0.48 0.98 -0.49 0.00 0.00 175.26 173.23 1n6f n TYR 1035N -4.19 0.32 -0.85 1.61 4.19 -1.26 -4.71 117.16 112.27 1n6f n TYR 1035Ca 0.05 -3.62 -0.30 0.00 3.31 0.00 0.00 57.90 57.34 1n6f n TYR 1035Cb 0.57 -0.18 0.17 0.00 0.49 0.00 0.00 39.34 40.39 1n6f n TYR 1035CO 0.00 0.00 0.00 0.00 0.91 0.00 0.00 176.86 177.77 1n6f s ALA 1036N -0.92 1.15 0.49 2.98 0.00 -1.26 -4.87 121.76 119.32 1n6f s ALA 1036Ca 0.34 0.24 0.19 0.00 0.00 0.00 0.00 51.96 52.73 1n6f s ALA 1036Cb 0.10 -3.32 1.23 0.00 0.00 0.00 0.00 23.12 21.13 1n6f s ALA 1036CO -0.14 -2.79 2.03 -1.35 0.00 0.00 0.00 175.76 173.51 1n6f h PRO 1037N -1.88 0.14 0.00 0.00 0.11 -1.93 -0.75 132.00 127.70 1n6f h PRO 1037Ca -0.49 -0.01 -0.01 0.00 0.11 0.00 0.00 66.00 65.61 1n6f h PRO 1037Cb 1.28 -0.03 -0.00 0.00 0.11 0.00 0.00 31.00 32.36 1n6f h PRO 1037CO 0.48 0.10 -0.03 1.12 -0.21 0.00 0.00 178.00 179.45 1n6f h HIS 1038N 0.15 0.00 -0.13 0.65 2.07 -1.87 -2.49 115.15 113.54 1n6f h HIS 1038Ca 0.20 0.00 -0.14 0.00 -2.85 0.00 0.00 60.37 57.58 1n6f h HIS 1038Cb 0.61 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 30.58 1n6f h HIS 1038CO -0.00 0.03 -0.52 -0.44 -3.07 0.00 0.00 177.93 173.93 1n6f h ASP 1039N 0.00 0.39 0.44 3.10 3.45 -1.47 -1.51 116.42 120.82 1n6f h ASP 1039Ca -0.00 -0.20 -0.20 0.00 0.43 0.00 0.00 57.03 57.06 1n6f h ASP 1039Cb 0.84 -0.11 -0.01 0.00 -0.56 0.00 0.00 39.33 39.49 1n6f h ASP 1039CO 0.00 0.84 -0.85 1.88 -1.57 0.00 0.00 179.24 179.55 1n6f h TYR 1040N 0.28 0.42 -0.43 4.55 -1.99 -1.38 -2.20 116.97 116.22 1n6f h TYR 1040Ca 0.01 -0.22 -0.07 0.00 2.00 0.00 0.00 58.73 60.45 1n6f h TYR 1040Cb 1.01 -0.05 -0.02 0.00 2.00 0.00 0.00 36.73 39.67 1n6f h TYR 1040CO 0.03 1.01 -0.01 -0.07 -0.00 0.00 0.00 178.16 179.12 1n6f h LEU 1041N 0.17 0.67 -0.27 3.88 3.38 -1.13 -1.82 115.31 120.19 1n6f h LEU 1041Ca -0.05 -0.16 0.00 0.00 0.09 0.00 0.00 57.88 57.77 1n6f h LEU 1041Cb 1.46 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 42.03 1n6f h LEU 1041CO 0.14 0.75 0.00 0.77 0.09 0.00 0.00 178.44 180.19 1n6f h SER 1042N 0.66 0.00 -0.28 -0.43 4.64 -1.25 -3.47 113.55 113.42 1n6f h SER 1042Ca 0.13 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.41 1n6f h SER 1042Cb 0.43 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.52 1n6f h SER 1042CO 0.02 0.00 -0.05 0.61 -0.87 0.00 0.00 176.83 176.54 1n6f n GLY 1043N 0.91 0.32 3.48 -0.77 0.00 -0.69 -5.05 105.19 103.39 1n6f n GLY 1043Ca 0.04 -0.82 -0.31 0.00 0.00 0.00 0.00 46.02 44.92 1n6f n GLY 1043CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1n6f s LYS 1044N -3.85 2.15 -0.58 1.61 2.20 -0.87 -5.05 119.74 115.36 1n6f s LYS 1044Ca 0.00 -0.94 -0.13 0.00 -0.36 0.00 0.00 55.97 54.54 1n6f s LYS 1044Cb 0.00 -2.24 0.14 0.00 -1.51 0.00 0.00 37.83 34.23 1n6f s LYS 1044CO 0.00 0.55 0.50 0.34 -0.36 0.00 0.00 175.35 176.38 1n6f s ASP 1045N -1.43 6.10 0.47 1.43 -1.08 -1.26 -4.52 116.67 116.39 1n6f s ASP 1045Ca 0.15 -2.04 0.17 0.00 -0.52 0.00 0.00 52.55 50.31 1n6f s ASP 1045Cb -0.11 -2.13 1.14 0.00 -1.46 0.00 0.00 42.92 40.36 1n6f s ASP 1045CO 0.06 -0.74 2.03 1.55 0.52 0.00 0.00 175.17 178.59 1n6f h PRO 1046N 8.47 0.00 -0.01 4.34 0.13 -1.92 -1.15 132.00 141.86 1n6f h PRO 1046Ca -0.19 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.92 1n6f h PRO 1046Cb 1.07 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.21 1n6f h PRO 1046CO 0.92 0.14 -0.08 1.96 -0.23 0.00 0.00 178.00 180.71 1n6f h GLN 1047N 0.00 0.08 -0.30 0.86 4.20 -1.88 -1.27 115.11 116.80 1n6f h GLN 1047Ca -0.00 -0.07 -0.10 0.00 0.06 0.00 0.00 58.65 58.54 1n6f h GLN 1047Cb 0.27 0.01 -0.01 0.00 0.30 0.00 0.00 27.48 28.05 1n6f h GLN 1047CO 0.02 0.75 -0.24 0.97 -0.67 0.00 0.00 178.83 179.66 1n6f h ILE 1048N -0.58 1.27 -0.42 2.54 2.10 -1.97 -1.93 117.51 118.52 1n6f h ILE 1048Ca -0.01 -1.29 -0.03 0.00 1.08 0.00 0.00 64.86 64.61 1n6f h ILE 1048Cb 0.77 1.30 -0.02 0.00 -1.09 0.00 0.00 36.82 37.79 1n6f h ILE 1048CO 0.02 0.41 0.13 0.44 -1.08 0.00 0.00 178.15 178.08 1n6f h ASP 1049N 0.50 0.62 -0.37 2.19 3.45 -1.23 -1.18 116.42 120.39 1n6f h ASP 1049Ca 0.07 -0.20 0.00 0.00 0.43 0.00 0.00 57.03 57.33 1n6f h ASP 1049Cb 0.68 -0.16 -0.02 0.00 -0.56 0.00 0.00 39.33 39.27 1n6f h ASP 1049CO 0.05 0.66 0.24 0.22 -1.57 0.00 0.00 179.24 178.84 1n6f h TYR 1050N 0.54 0.48 -0.28 4.55 3.20 -1.05 -1.12 116.97 123.30 1n6f h TYR 1050Ca 0.14 0.01 0.06 0.00 3.14 0.00 0.00 58.73 62.08 1n6f h TYR 1050Cb 0.26 -0.16 -0.07 0.00 1.54 0.00 0.00 36.73 38.30 1n6f h TYR 1050CO 0.01 0.32 -0.17 0.00 -1.64 0.00 0.00 178.16 176.68 1n6f h ALA 1051N 1.12 0.02 0.75 1.82 0.00 -1.03 0.39 119.26 122.33 1n6f h ALA 1051Ca 0.14 0.10 -0.03 0.00 0.00 0.00 0.00 54.91 55.11 1n6f h ALA 1051Cb -0.03 0.39 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 1n6f h ALA 1051CO -0.03 -0.58 -0.50 0.82 0.00 0.00 0.00 179.25 178.97 1n6f h ILE 1052N -0.15 0.01 -0.46 0.00 1.08 -0.98 -1.68 117.51 115.34 1n6f h ILE 1052Ca 0.15 0.00 0.07 0.00 -0.39 0.00 0.00 64.86 64.69 1n6f h ILE 1052Cb 0.37 0.01 -0.06 0.00 -3.07 0.00 0.00 36.82 34.08 1n6f h ILE 1052CO -0.37 0.00 0.10 0.44 -0.69 0.00 0.00 178.15 177.64 1n6f h ASP 1053N -1.18 0.03 -0.83 1.72 3.45 -1.00 0.27 116.42 118.88 1n6f h ASP 1053Ca -0.10 0.08 0.06 0.00 0.43 0.00 0.00 57.03 57.50 1n6f h ASP 1053Cb 0.96 0.10 -0.06 0.00 -0.56 0.00 0.00 39.33 39.76 1n6f h ASP 1053CO 0.08 0.05 0.51 0.00 -1.57 0.00 0.00 179.24 178.31 1n6f h ALA 1054N 1.35 1.14 -0.26 3.45 0.00 -0.18 -1.23 119.26 123.52 1n6f h ALA 1054Ca 0.23 -0.01 -0.15 0.00 0.00 0.00 0.00 54.91 54.97 1n6f h ALA 1054Cb 0.28 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 1n6f h ALA 1054CO -0.29 0.26 -0.46 -0.07 0.00 0.00 0.00 179.25 178.69 1n6f h LEU 1055N 0.94 0.74 -0.66 0.00 3.38 -0.56 -2.31 115.31 116.84 1n6f h LEU 1055Ca 0.36 -0.36 -0.00 0.00 0.09 0.00 0.00 57.88 57.97 1n6f h LEU 1055Cb 0.16 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 40.67 1n6f h LEU 1055CO -0.17 1.09 0.39 0.40 0.09 0.00 0.00 178.44 180.24 1n6f h ILE 1056N 0.54 1.19 -0.86 1.22 2.04 -0.29 -0.51 117.51 120.84 1n6f h ILE 1056Ca 0.03 -0.43 -0.02 0.00 1.00 0.00 0.00 64.86 65.44 1n6f h ILE 1056Cb 1.01 0.29 -0.04 0.00 -0.74 0.00 0.00 36.82 37.34 1n6f h ILE 1056CO 0.10 0.20 0.46 -0.08 0.00 0.00 0.00 178.15 178.82 1n6f h GLU 1057N 0.89 1.21 0.00 2.37 4.57 -1.09 -1.86 114.58 120.67 1n6f h GLU 1057Ca 0.24 -0.15 0.00 0.00 -1.18 0.00 0.00 59.36 58.26 1n6f h GLU 1057Cb -0.02 -0.23 0.00 0.00 -0.16 0.00 0.00 28.75 28.33 1n6f h GLU 1057CO -0.04 0.90 0.00 0.93 -1.18 0.00 0.00 179.01 179.62 1n6f h GLU 1058N 1.21 0.00 -1.04 1.92 5.08 -0.79 -3.12 114.58 117.84 1n6f h GLU 1058Ca 0.30 0.00 -0.62 0.00 -1.00 0.00 0.00 59.36 58.04 1n6f h GLU 1058Cb 0.05 0.00 -0.28 0.00 0.50 0.00 0.00 28.75 29.03 1n6f h GLU 1058CO -0.05 0.00 0.80 1.28 -1.00 0.00 0.00 179.01 180.05 1n6f n LEU 1059N -2.60 7.43 -0.07 1.33 4.32 -0.27 -4.12 117.00 123.02 1n6f n LEU 1059Ca 0.02 -4.08 -0.07 0.00 -0.02 0.00 0.00 56.01 51.86 1n6f n LEU 1059Cb 0.28 -0.96 -0.10 0.00 -1.62 0.00 0.00 43.42 41.02 1n6f n LEU 1059CO 0.24 1.37 -0.93 0.54 -1.22 0.00 0.00 177.39 177.39 1n6f n ARG 1060N -0.85 1.82 0.00 3.23 5.12 -1.18 -5.00 116.66 119.79 1n6f n ARG 1060Ca 0.59 -0.00 0.00 0.00 -1.93 0.00 0.00 57.85 56.51 1n6f n ARG 1060Cb 0.82 -1.34 0.00 0.00 -1.16 0.00 0.00 32.46 30.79 1n6f n ARG 1060CO 0.00 0.00 0.00 0.09 -1.93 0.00 0.00 177.63 175.79