#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1n63 s THR 6 N 0.00 2.47 -0.26 12.58 -1.32 -1.26 -4.89 115.64 122.95 1n63 s THR 6 Ca 0.00 0.34 0.19 0.00 -1.21 0.00 0.00 61.69 61.01 1n63 s THR 6 Cb 0.00 -3.17 0.12 0.00 -1.51 0.00 0.00 72.50 67.94 1n63 s THR 6 CO 0.00 -0.02 1.35 -0.37 -2.21 0.00 0.00 174.62 173.38 1n63 h VAL 7 N 1.45 0.38 -2.18 5.08 -1.51 -2.08 -3.36 116.25 114.05 1n63 h VAL 7 Ca -0.50 -1.58 -0.59 0.00 -1.23 0.00 0.00 66.70 62.80 1n63 h VAL 7 Cb 1.29 2.08 -0.41 0.00 -2.13 0.00 0.00 31.29 32.11 1n63 h VAL 7 CO 0.58 0.22 -0.70 1.21 -1.23 0.00 0.00 177.57 177.64 1n63 n GLU 8 N -3.05 2.11 -2.27 5.19 4.07 -1.26 -5.11 120.64 120.32 1n63 n GLU 8 Ca 0.01 -4.35 -0.38 0.00 -0.06 0.00 0.00 57.16 52.37 1n63 n GLU 8 Cb 0.65 -2.03 -0.02 0.00 -0.06 0.00 0.00 31.44 29.98 1n63 n GLU 8 CO 0.00 0.00 0.00 -1.25 -0.06 0.00 0.00 177.13 175.82 1n63 s PRO 9 N -2.16 4.01 1.05 5.31 0.04 -1.26 -5.00 135.00 136.99 1n63 s PRO 9 Ca 0.38 1.85 -0.12 0.00 0.04 0.00 0.00 61.00 63.15 1n63 s PRO 9 Cb 0.15 -2.64 0.22 0.00 0.04 0.00 0.00 34.50 32.27 1n63 s PRO 9 CO -0.04 -0.36 1.07 0.95 0.04 0.00 0.00 177.00 178.66 1n63 s THR 10 N -1.42 2.15 0.24 1.26 -4.23 -1.26 -4.73 115.64 107.65 1n63 s THR 10 Ca 0.58 0.05 -0.06 0.00 -1.18 0.00 0.00 61.69 61.08 1n63 s THR 10 Cb -0.31 -2.23 0.22 0.00 1.34 0.00 0.00 72.50 71.51 1n63 s THR 10 CO 0.39 -0.06 1.87 0.28 -0.54 0.00 0.00 174.62 176.55 1n63 h SER 11 N -2.22 0.90 -0.68 3.99 0.02 -1.96 0.03 113.55 113.64 1n63 h SER 11 Ca -0.55 0.00 -0.05 0.00 -0.84 0.00 0.00 61.79 60.35 1n63 h SER 11 Cb 1.31 -0.19 -0.03 0.00 0.14 0.00 0.00 62.40 63.63 1n63 h SER 11 CO 0.51 0.60 0.22 0.00 -1.14 0.00 0.00 176.83 177.02 1n63 h ALA 12 N 1.38 0.88 -0.45 3.77 0.00 -1.99 -1.18 119.26 121.67 1n63 h ALA 12 Ca 0.36 -0.21 0.01 0.00 0.00 0.00 0.00 54.91 55.07 1n63 h ALA 12 Cb 0.08 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.58 1n63 h ALA 12 CO -0.14 0.55 0.29 0.93 0.00 0.00 0.00 179.25 180.88 1n63 h GLU 13 N 0.98 0.57 -0.75 0.00 5.08 -1.75 -0.55 114.58 118.16 1n63 h GLU 13 Ca 0.22 -0.03 -0.05 0.00 -1.00 0.00 0.00 59.36 58.50 1n63 h GLU 13 Cb 0.29 -0.13 -0.03 0.00 0.50 0.00 0.00 28.75 29.37 1n63 h GLU 13 CO -0.01 0.38 0.28 0.00 -1.00 0.00 0.00 179.01 178.66 1n63 h ARG 14 N 0.58 1.14 -0.65 2.33 3.08 -0.73 -2.25 114.38 117.89 1n63 h ARG 14 Ca 0.17 -0.22 -0.06 0.00 0.07 0.00 0.00 59.98 59.94 1n63 h ARG 14 Cb -0.04 -0.18 -0.03 0.00 0.08 0.00 0.00 29.97 29.80 1n63 h ARG 14 CO -0.05 0.94 0.18 0.00 -1.07 0.00 0.00 179.97 179.97 1n63 h ALA 15 N 1.14 0.85 -0.89 0.04 0.00 -0.96 -2.85 119.26 116.60 1n63 h ALA 15 Ca 0.25 -0.22 -0.00 0.00 0.00 0.00 0.00 54.91 54.93 1n63 h ALA 15 Cb 0.24 -0.25 -0.04 0.00 0.00 0.00 0.00 17.79 17.74 1n63 h ALA 15 CO -0.02 0.54 0.54 1.49 0.00 0.00 0.00 179.25 181.81 1n63 h GLU 16 N 0.94 1.20 0.00 0.00 4.81 -0.88 -1.75 114.58 118.91 1n63 h GLU 16 Ca 0.21 -0.10 -0.05 0.00 -0.13 0.00 0.00 59.36 59.28 1n63 h GLU 16 Cb 0.33 -0.26 -0.01 0.00 0.63 0.00 0.00 28.75 29.45 1n63 h GLU 16 CO -0.00 0.84 -0.24 0.87 -0.73 0.00 0.00 179.01 179.75 1n63 h LYS 17 N 1.23 0.00 -0.45 1.92 1.57 -1.19 -2.43 116.57 117.22 1n63 h LYS 17 Ca 0.32 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 59.09 1n63 h LYS 17 Cb -0.06 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.22 1n63 h LYS 17 CO -0.06 0.24 0.22 -0.07 -0.57 0.00 0.00 179.45 179.20 1n63 h LEU 18 N 0.00 0.56 -1.39 2.94 3.38 -1.10 -3.43 115.31 116.27 1n63 h LEU 18 Ca -0.00 -0.05 -0.41 0.00 0.09 0.00 0.00 57.88 57.51 1n63 h LEU 18 Cb 0.50 -0.14 0.07 0.00 0.09 0.00 0.00 40.66 41.18 1n63 h LEU 18 CO 0.03 0.48 -0.77 0.00 0.09 0.00 0.00 178.44 178.26 1n63 n GLN 19 N -4.40 -6.02 0.00 1.13 6.02 -0.92 -1.15 117.38 112.04 1n63 n GLN 19 Ca 0.03 0.71 0.00 0.00 -0.01 0.00 0.00 57.00 57.73 1n63 n GLN 19 Cb 0.12 -5.54 0.00 0.00 1.02 0.00 0.00 30.24 25.84 1n63 n GLN 19 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1n63 n GLY 20 N -1.59 1.54 3.67 1.08 0.00 -1.26 -4.63 105.19 104.00 1n63 n GLY 20 Ca -0.16 -1.70 -0.47 0.00 0.00 0.00 0.00 46.02 43.69 1n63 n GLY 20 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1n63 n MET 21 N 0.00 2.15 0.00 1.61 2.81 -1.19 -1.64 117.12 120.86 1n63 n MET 21 Ca 0.00 0.78 0.00 0.00 -1.81 0.00 0.00 57.70 56.67 1n63 n MET 21 Cb 0.00 -2.58 0.00 0.00 -0.71 0.00 0.00 33.22 29.93 1n63 n MET 21 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1n63 n GLY 22 N 3.78 1.38 3.79 3.03 0.00 0.58 -5.02 105.19 112.73 1n63 n GLY 22 Ca 0.19 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.85 1n63 n GLY 22 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1n63 n LYS 24 N 0.23 3.54 -1.90 0.00 5.02 -1.26 -4.33 118.16 119.45 1n63 n LYS 24 Ca 0.03 -2.22 -0.42 0.00 -2.02 0.00 0.00 58.31 53.69 1n63 n LYS 24 Cb 0.50 -2.63 -0.02 0.00 -0.02 0.00 0.00 35.03 32.87 1n63 n LYS 24 CO 0.00 0.00 0.00 0.50 -0.52 0.00 0.00 177.40 177.38 1n63 s ARG 25 N 1.32 4.20 0.53 1.97 3.52 -1.26 -4.94 118.95 124.29 1n63 s ARG 25 Ca 0.67 2.42 -0.18 0.00 -0.13 0.00 0.00 55.73 58.51 1n63 s ARG 25 Cb 0.21 -3.09 -0.07 0.00 -1.56 0.00 0.00 34.95 30.45 1n63 s ARG 25 CO -0.06 -0.54 1.04 0.15 -0.81 0.00 0.00 175.30 175.08 1n63 s LYS 26 N -0.08 3.62 0.09 5.12 -0.14 -1.26 -4.93 119.74 122.16 1n63 s LYS 26 Ca 0.63 1.28 -0.29 0.00 -1.36 0.00 0.00 55.97 56.23 1n63 s LYS 26 Cb -0.45 -2.07 -0.05 0.00 -1.68 0.00 0.00 37.83 33.58 1n63 s LYS 26 CO 0.42 -0.57 0.94 1.03 -0.76 0.00 0.00 175.35 176.41 1n63 s ARG 27 N -3.61 4.66 0.33 1.68 0.52 -1.26 -4.94 118.95 116.33 1n63 s ARG 27 Ca 0.65 1.40 0.10 0.00 -0.52 0.00 0.00 55.73 57.36 1n63 s ARG 27 Cb -0.16 -3.39 0.58 0.00 0.52 0.00 0.00 34.95 32.50 1n63 s ARG 27 CO 0.27 0.18 1.76 -0.39 0.02 0.00 0.00 175.30 177.15 1n63 h VAL 28 N 4.16 1.30 0.00 3.52 -1.51 -1.93 -3.10 116.25 118.69 1n63 h VAL 28 Ca -0.43 -1.42 -0.02 0.00 -1.23 0.00 0.00 66.70 63.60 1n63 h VAL 28 Cb 1.21 1.69 -0.00 0.00 -2.13 0.00 0.00 31.29 32.06 1n63 h VAL 28 CO 0.72 0.42 -0.11 -0.33 -1.23 0.00 0.00 177.57 177.04 1n63 h GLU 29 N 0.10 0.00 0.00 5.19 3.07 -1.93 -3.10 114.58 117.91 1n63 h GLU 29 Ca 0.01 0.00 -0.11 0.00 -0.50 0.00 0.00 59.36 58.76 1n63 h GLU 29 Cb 0.74 0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 28.64 1n63 h GLU 29 CO 0.06 0.11 -0.51 -0.44 -1.40 0.00 0.00 179.01 176.82 1n63 h ASP 30 N 0.00 0.00 0.11 1.42 5.19 -1.95 -2.43 116.42 118.76 1n63 h ASP 30 Ca -0.00 0.00 0.02 0.00 -0.62 0.00 0.00 57.03 56.42 1n63 h ASP 30 Cb 0.39 0.00 -0.03 0.00 0.18 0.00 0.00 39.33 39.87 1n63 h ASP 30 CO 0.01 0.51 -0.22 0.40 -3.12 0.00 0.00 179.24 176.83 1n63 h ILE 31 N 0.00 0.51 -0.25 0.35 1.08 -1.73 -0.92 117.51 116.54 1n63 h ILE 31 Ca -0.01 0.00 -0.17 0.00 -0.39 0.00 0.00 64.86 64.30 1n63 h ILE 31 Cb 0.94 0.51 -0.00 0.00 -3.07 0.00 0.00 36.82 35.19 1n63 h ILE 31 CO 0.07 0.00 -0.52 0.08 -0.69 0.00 0.00 178.15 177.09 1n63 h ARG 32 N -0.41 0.72 -0.23 2.37 0.11 -1.75 -3.29 114.38 111.89 1n63 h ARG 32 Ca 0.03 -0.44 -0.17 0.00 0.10 0.00 0.00 59.98 59.50 1n63 h ARG 32 Cb 0.43 0.04 -0.00 0.00 1.11 0.00 0.00 29.97 31.55 1n63 h ARG 32 CO -0.12 1.06 -0.55 0.74 0.10 0.00 0.00 179.97 181.20 1n63 h PHE 33 N 0.56 0.88 0.00 4.08 0.04 -1.28 0.28 116.94 121.49 1n63 h PHE 33 Ca 0.02 -0.31 0.00 0.00 2.80 0.00 0.00 57.97 60.48 1n63 h PHE 33 Cb 1.09 -0.16 0.00 0.00 2.20 0.00 0.00 35.95 39.08 1n63 h PHE 33 CO 0.06 1.09 0.00 0.25 -0.60 0.00 0.00 178.31 179.11 1n63 n THR 34 N -3.98 0.85 -0.01 -1.55 -2.24 -0.36 -2.74 114.28 104.25 1n63 n THR 34 Ca -0.04 0.21 0.02 0.00 -2.27 0.00 0.00 64.05 61.98 1n63 n THR 34 Cb 0.62 -0.99 0.05 0.00 -2.10 0.00 0.00 70.33 67.91 1n63 n THR 34 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1n63 n GLN 35 N -1.38 2.11 -2.30 -0.78 6.02 -0.69 -4.98 117.38 115.38 1n63 n GLN 35 Ca 0.05 -1.49 -0.12 0.00 -0.01 0.00 0.00 57.00 55.44 1n63 n GLN 35 Cb 0.13 -1.11 -0.00 0.00 1.02 0.00 0.00 30.24 30.28 1n63 n GLN 35 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1n63 n GLY 36 N 0.01 -0.08 0.44 1.08 0.00 -0.94 -4.91 105.19 100.78 1n63 n GLY 36 Ca 0.04 -0.38 0.07 0.00 0.00 0.00 0.00 46.02 45.74 1n63 n GLY 36 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1n63 n LYS 37 N -2.18 2.47 -0.72 1.61 4.76 0.00 -4.96 118.16 119.15 1n63 n LYS 37 Ca -0.12 -2.35 -0.32 0.00 -2.87 0.00 0.00 58.31 52.65 1n63 n LYS 37 Cb 0.60 -1.47 0.15 0.00 -1.84 0.00 0.00 35.03 32.47 1n63 n LYS 37 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1n63 n GLY 38 N -0.56 -1.98 2.70 0.72 0.00 -1.22 -4.81 105.19 100.05 1n63 n GLY 38 Ca 0.14 -0.80 -0.30 0.00 0.00 0.00 0.00 46.02 45.07 1n63 n GLY 38 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1n63 s ASN 39 N -2.07 3.68 0.31 1.61 2.47 -1.26 -5.05 114.94 114.64 1n63 s ASN 39 Ca 0.59 -2.43 0.06 0.00 0.42 0.00 0.00 52.86 51.50 1n63 s ASN 39 Cb -0.19 -0.97 -0.02 0.00 -1.45 0.00 0.00 41.25 38.62 1n63 s ASN 39 CO 0.66 -0.30 0.45 -0.31 -3.72 0.00 0.00 177.10 173.88 1n63 s TYR 40 N 0.62 3.23 0.22 0.43 1.51 -1.26 -0.64 117.35 121.45 1n63 s TYR 40 Ca 0.16 -0.12 -0.09 0.00 -1.01 0.00 0.00 57.07 56.02 1n63 s TYR 40 Cb -0.23 -1.88 0.32 0.00 -0.11 0.00 0.00 41.96 40.05 1n63 s TYR 40 CO -0.04 0.11 1.71 0.28 -1.11 0.00 0.00 175.55 176.50 1n63 h VAL 41 N 0.94 0.64 0.00 0.71 2.07 -1.95 -0.00 116.25 118.66 1n63 h VAL 41 Ca -0.48 -0.10 0.00 0.00 0.82 0.00 0.00 66.70 66.94 1n63 h VAL 41 Cb 1.25 0.33 0.00 0.00 -1.52 0.00 0.00 31.29 31.35 1n63 h VAL 41 CO 0.56 0.05 0.00 -0.67 0.02 0.00 0.00 177.57 177.53 1n63 n ASP 42 N -5.11 0.00 0.07 0.57 2.03 -1.26 -1.34 116.55 111.51 1n63 n ASP 42 Ca 0.10 -0.30 0.13 0.00 0.52 0.00 0.00 54.79 55.24 1n63 n ASP 42 Cb 0.34 -0.18 0.41 0.00 -0.72 0.00 0.00 41.12 40.97 1n63 n ASP 42 CO 0.00 0.00 0.00 0.47 -1.92 0.00 0.00 177.20 175.75 1n63 n ASP 43 N -1.18 0.61 -4.72 1.67 8.00 -0.02 -4.85 116.55 116.07 1n63 n ASP 43 Ca 0.13 0.45 -0.42 0.00 0.71 0.00 0.00 54.79 55.67 1n63 n ASP 43 Cb 0.14 -0.54 -0.03 0.00 -0.02 0.00 0.00 41.12 40.68 1n63 n ASP 43 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1n63 s VAL 44 N -3.08 4.45 -0.06 2.53 1.01 -0.45 -4.99 120.40 119.81 1n63 s VAL 44 Ca 0.11 1.81 0.01 0.00 0.00 0.00 0.00 61.98 63.90 1n63 s VAL 44 Cb 0.14 -4.16 0.02 0.00 0.00 0.00 0.00 36.38 32.39 1n63 s VAL 44 CO 0.61 0.17 -0.07 -0.54 0.00 0.00 0.00 175.10 175.26 1n63 s LYS 45 N 0.83 1.16 0.16 2.72 1.02 -1.26 -5.09 119.74 119.27 1n63 s LYS 45 Ca 0.54 -0.20 0.10 0.00 0.02 0.00 0.00 55.97 56.43 1n63 s LYS 45 Cb -0.25 -1.11 -0.04 0.00 -0.52 0.00 0.00 37.83 35.91 1n63 s LYS 45 CO 0.29 -0.09 -0.21 -0.51 -0.92 0.00 0.00 175.35 173.91 1n63 s LEU 46 N 1.01 2.41 0.16 3.17 1.43 -1.26 -5.09 118.68 120.51 1n63 s LEU 46 Ca -0.09 -0.83 -0.32 0.00 -1.03 0.00 0.00 54.13 51.86 1n63 s LEU 46 Cb -0.14 -0.98 -0.11 0.00 0.03 0.00 0.00 46.19 44.98 1n63 s LEU 46 CO -0.00 0.05 1.79 -2.65 0.23 0.00 0.00 176.35 175.77 1n63 n PRO 47 N 0.44 2.81 -1.00 1.29 -0.02 -1.26 -2.22 135.00 135.05 1n63 n PRO 47 Ca -0.14 1.02 0.00 0.00 -2.02 0.00 0.00 63.50 62.36 1n63 n PRO 47 Cb 0.56 -2.90 0.00 0.00 -0.02 0.00 0.00 33.50 31.14 1n63 n PRO 47 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1n63 n GLY 48 N 4.13 0.69 3.76 -1.23 0.00 -1.26 -4.58 105.19 106.70 1n63 n GLY 48 Ca 0.17 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.78 1n63 n GLY 48 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1n63 s MET 49 N -0.00 4.31 0.48 1.61 0.00 -0.94 -4.33 119.30 120.42 1n63 s MET 49 Ca 0.00 2.28 0.07 0.00 0.00 0.00 0.00 55.69 58.03 1n63 s MET 49 Cb 0.00 -3.07 0.01 0.00 0.00 0.00 0.00 34.83 31.77 1n63 s MET 49 CO 0.00 -0.29 0.40 -0.51 0.00 0.00 0.00 175.02 174.62 1n63 s LEU 50 N -1.43 3.07 -0.04 4.11 1.43 0.26 -4.89 118.68 121.19 1n63 s LEU 50 Ca 0.52 -0.99 0.04 0.00 -1.03 0.00 0.00 54.13 52.68 1n63 s LEU 50 Cb -0.41 -1.61 -0.00 0.00 0.03 0.00 0.00 46.19 44.19 1n63 s LEU 50 CO 0.51 -0.87 -0.17 0.12 0.23 0.00 0.00 176.35 176.17 1n63 s PHE 51 N -2.62 1.66 0.02 0.29 2.19 0.03 -0.68 117.98 118.87 1n63 s PHE 51 Ca 0.43 -0.45 0.08 0.00 0.33 0.00 0.00 56.93 57.32 1n63 s PHE 51 Cb -0.02 -1.11 -0.03 0.00 -1.31 0.00 0.00 43.02 40.55 1n63 s PHE 51 CO 0.25 -0.14 -0.22 0.20 1.83 0.00 0.00 175.22 177.14 1n63 s GLY 52 N -0.04 1.45 0.16 13.12 0.00 0.36 -0.74 107.32 121.62 1n63 s GLY 52 Ca -0.02 -1.19 -0.15 0.00 0.00 0.00 0.00 44.72 43.37 1n63 s GLY 52 CO 0.02 -1.05 0.41 -0.35 0.00 0.00 0.00 173.10 172.12 1n63 s ASP 53 N -1.14 -0.16 -0.07 1.64 2.15 -0.18 -4.35 116.67 114.56 1n63 s ASP 53 Ca 0.12 -0.53 -0.11 0.00 0.43 0.00 0.00 52.55 52.47 1n63 s ASP 53 Cb -0.10 0.50 -0.05 0.00 -0.30 0.00 0.00 42.92 42.97 1n63 s ASP 53 CO 0.02 -0.94 0.27 -0.36 -0.17 0.00 0.00 175.17 173.99 1n63 s PHE 54 N -3.87 3.66 -0.04 -5.34 0.08 -1.26 -0.45 117.98 110.75 1n63 s PHE 54 Ca 0.09 0.75 -0.30 0.00 0.12 0.00 0.00 56.93 57.59 1n63 s PHE 54 Cb 0.01 -2.11 -0.03 0.00 -0.57 0.00 0.00 43.02 40.32 1n63 s PHE 54 CO -0.05 0.69 1.11 0.08 -0.10 0.00 0.00 175.22 176.94 1n63 s VAL 55 N -1.02 4.46 0.21 -0.44 1.01 0.25 -4.97 120.40 119.90 1n63 s VAL 55 Ca 0.19 1.76 0.11 0.00 0.00 0.00 0.00 61.98 64.04 1n63 s VAL 55 Cb -0.14 -4.13 -0.05 0.00 0.00 0.00 0.00 36.38 32.06 1n63 s VAL 55 CO 0.08 0.05 -0.22 -0.13 0.00 0.00 0.00 175.10 174.88 1n63 s ARG 56 N 1.77 1.58 0.03 2.72 0.52 -1.26 -0.59 118.95 123.71 1n63 s ARG 56 Ca 0.54 -1.57 -0.30 0.00 -0.52 0.00 0.00 55.73 53.88 1n63 s ARG 56 Cb -0.23 -1.84 -0.05 0.00 0.52 0.00 0.00 34.95 33.35 1n63 s ARG 56 CO 0.23 0.39 1.14 0.45 0.02 0.00 0.00 175.30 177.53 1n63 s SER 57 N -2.87 7.15 0.08 0.23 0.15 0.35 -4.84 113.70 113.94 1n63 s SER 57 Ca 0.23 1.89 0.25 0.00 0.70 0.00 0.00 55.95 59.02 1n63 s SER 57 Cb -0.07 -2.57 0.99 0.00 -1.71 0.00 0.00 66.02 62.65 1n63 s SER 57 CO 0.11 -0.44 1.78 -1.54 1.20 0.00 0.00 173.24 174.36 1n63 n SER 58 N 4.14 0.28 -4.60 5.45 3.41 -1.26 -0.58 113.62 120.46 1n63 n SER 58 Ca 0.09 0.54 -0.34 0.00 -0.26 0.00 0.00 58.87 58.89 1n63 n SER 58 Cb 0.47 -0.61 -0.11 0.00 -0.26 0.00 0.00 64.21 63.71 1n63 n SER 58 CO 0.00 0.00 0.00 -1.00 -0.16 0.00 0.00 175.04 173.88 1n63 s HIS 59 N -3.06 3.00 0.22 7.33 3.76 -1.26 -4.90 115.29 120.38 1n63 s HIS 59 Ca 0.11 0.04 0.03 0.00 -0.15 0.00 0.00 55.06 55.09 1n63 s HIS 59 Cb 0.14 -1.74 0.20 0.00 1.11 0.00 0.00 32.58 32.30 1n63 s HIS 59 CO 0.48 0.34 1.53 0.00 -0.85 0.00 0.00 174.74 176.25 1n63 h ALA 60 N 5.31 0.79 -1.69 -1.40 0.00 -1.81 -3.23 119.26 117.23 1n63 h ALA 60 Ca -0.48 -0.55 -0.03 0.00 0.00 0.00 0.00 54.91 53.85 1n63 h ALA 60 Cb 1.18 -0.08 -0.25 0.00 0.00 0.00 0.00 17.79 18.63 1n63 h ALA 60 CO 0.53 0.73 -0.35 -1.58 0.00 0.00 0.00 179.25 178.59 1n63 s HIS 61 N -3.76 -1.15 -0.14 0.00 2.46 -1.26 -2.23 115.29 109.21 1n63 s HIS 61 Ca -0.05 1.42 -0.29 0.00 0.47 0.00 0.00 55.06 56.62 1n63 s HIS 61 Cb 0.12 0.35 0.09 0.00 -0.13 0.00 0.00 32.58 33.00 1n63 s HIS 61 CO 0.81 -0.73 0.80 0.00 -2.47 0.00 0.00 174.74 173.15 1n63 s ALA 62 N 2.71 -1.83 0.37 1.58 0.00 -0.90 -0.86 121.76 122.82 1n63 s ALA 62 Ca 0.11 1.57 -0.26 0.00 0.00 0.00 0.00 51.96 53.38 1n63 s ALA 62 Cb -0.14 -0.53 -0.09 0.00 0.00 0.00 0.00 23.12 22.36 1n63 s ALA 62 CO -0.17 -0.34 1.08 1.03 0.00 0.00 0.00 175.76 177.36 1n63 s ARG 63 N -0.75 4.28 -0.33 0.00 0.52 0.27 -0.73 118.95 122.21 1n63 s ARG 63 Ca -0.05 1.65 -0.19 0.00 -0.52 0.00 0.00 55.73 56.62 1n63 s ARG 63 Cb -0.01 -2.75 -0.01 0.00 0.52 0.00 0.00 34.95 32.70 1n63 s ARG 63 CO 0.05 -0.07 0.57 0.42 0.02 0.00 0.00 175.30 176.28 1n63 s ILE 64 N -1.47 4.98 -0.02 1.52 1.01 0.41 -0.63 121.20 126.99 1n63 s ILE 64 Ca 0.54 0.58 0.09 0.00 0.00 0.00 0.00 60.65 61.87 1n63 s ILE 64 Cb -0.26 -3.98 -0.23 0.00 0.01 0.00 0.00 42.46 38.00 1n63 s ILE 64 CO 0.33 -0.18 0.75 0.11 0.00 0.00 0.00 174.94 175.95 1n63 h LYS 65 N 8.34 0.03 -1.60 2.79 1.79 -1.09 -3.46 116.57 123.38 1n63 h LYS 65 Ca -0.27 -0.06 0.24 0.00 -2.18 0.00 0.00 60.65 58.38 1n63 h LYS 65 Cb 1.12 0.02 -0.17 0.00 -1.58 0.00 0.00 32.23 31.62 1n63 h LYS 65 CO 0.78 0.66 0.76 -1.54 -1.08 0.00 0.00 179.45 179.04 1n63 s SER 66 N -6.31 -0.15 -0.06 0.86 1.04 -1.23 -5.01 113.70 102.85 1n63 s SER 66 Ca -0.05 -0.03 0.01 0.00 0.48 0.00 0.00 55.95 56.36 1n63 s SER 66 Cb 0.08 0.19 0.02 0.00 0.10 0.00 0.00 66.02 66.41 1n63 s SER 66 CO 0.82 -0.31 -0.08 -0.63 0.98 0.00 0.00 173.24 174.02 1n63 s ILE 67 N -2.53 0.80 -0.37 -1.02 1.01 -1.26 -1.62 121.20 116.20 1n63 s ILE 67 Ca 0.10 -0.27 -0.09 0.00 0.00 0.00 0.00 60.65 60.39 1n63 s ILE 67 Cb -0.00 -0.77 0.04 0.00 0.01 0.00 0.00 42.46 41.73 1n63 s ILE 67 CO -0.05 0.28 0.18 -0.62 0.00 0.00 0.00 174.94 174.73 1n63 s ASP 68 N 0.86 5.58 0.00 3.58 2.15 0.10 -4.93 116.67 124.00 1n63 s ASP 68 Ca -0.12 -1.13 0.21 0.00 0.43 0.00 0.00 52.55 51.94 1n63 s ASP 68 Cb -0.15 -1.96 0.26 0.00 -0.30 0.00 0.00 42.92 40.77 1n63 s ASP 68 CO 0.01 -0.39 1.24 0.35 -0.17 0.00 0.00 175.17 176.21 1n63 n THR 69 N 4.92 0.22 -0.19 1.71 -2.24 -1.26 -1.55 114.28 115.89 1n63 n THR 69 Ca -0.12 -0.61 -0.05 0.00 -2.27 0.00 0.00 64.05 61.00 1n63 n THR 69 Cb 0.45 1.23 0.05 0.00 -2.10 0.00 0.00 70.33 69.95 1n63 n THR 69 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 1n63 h SER 70 N 4.05 0.55 0.28 3.42 4.64 -1.91 -0.75 113.55 123.83 1n63 h SER 70 Ca 0.00 0.00 -0.13 0.00 -0.47 0.00 0.00 61.79 61.20 1n63 h SER 70 Cb 0.89 -0.11 -0.01 0.00 -0.31 0.00 0.00 62.40 62.85 1n63 h SER 70 CO 0.00 0.38 -0.51 0.11 -0.87 0.00 0.00 176.83 175.95 1n63 h LYS 71 N 0.67 0.26 -0.23 4.77 1.57 -1.84 -1.95 116.57 119.82 1n63 h LYS 71 Ca 0.23 -0.15 -0.13 0.00 -1.87 0.00 0.00 60.65 58.73 1n63 h LYS 71 Cb 0.02 0.01 -0.00 0.00 0.08 0.00 0.00 32.23 32.34 1n63 h LYS 71 CO -0.10 0.71 -0.35 0.00 -0.57 0.00 0.00 179.45 179.14 1n63 h ALA 72 N 1.27 0.35 -0.53 3.86 0.00 -1.67 -2.97 119.26 119.57 1n63 h ALA 72 Ca 0.01 -0.43 -0.05 0.00 0.00 0.00 0.00 54.91 54.44 1n63 h ALA 72 Cb 0.97 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.67 1n63 h ALA 72 CO 0.08 0.41 0.12 0.87 0.00 0.00 0.00 179.25 180.73 1n63 h LYS 73 N 0.34 0.81 0.00 0.00 1.57 -0.99 -2.38 116.57 115.91 1n63 h LYS 73 Ca 0.02 -0.16 0.00 0.00 -1.87 0.00 0.00 60.65 58.64 1n63 h LYS 73 Cb 0.94 -0.12 0.00 0.00 0.08 0.00 0.00 32.23 33.13 1n63 h LYS 73 CO 0.08 0.73 0.00 0.00 -0.57 0.00 0.00 179.45 179.69 1n63 n ALA 74 N -2.46 2.60 -2.26 3.86 0.00 -0.75 -4.80 120.51 116.71 1n63 n ALA 74 Ca 0.04 -0.18 -0.41 0.00 0.00 0.00 0.00 53.44 52.88 1n63 n ALA 74 Cb 0.23 -1.49 -0.04 0.00 0.00 0.00 0.00 19.45 18.14 1n63 n ALA 74 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 1n63 s LEU 75 N -2.11 4.47 0.24 0.00 2.96 -0.90 -4.95 118.68 118.40 1n63 s LEU 75 Ca 0.43 1.88 -0.31 0.00 -0.22 0.00 0.00 54.13 55.91 1n63 s LEU 75 Cb 0.21 -3.59 -0.13 0.00 0.50 0.00 0.00 46.19 43.18 1n63 s LEU 75 CO 0.37 -0.16 1.54 -2.65 -1.32 0.00 0.00 176.35 174.13 1n63 n PRO 76 N 2.86 2.37 -0.50 0.98 -0.02 -1.26 -2.29 135.00 137.15 1n63 n PRO 76 Ca 0.03 0.85 0.00 0.00 -2.02 0.00 0.00 63.50 62.36 1n63 n PRO 76 Cb 0.48 -2.59 0.00 0.00 -0.02 0.00 0.00 33.50 31.37 1n63 n PRO 76 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1n63 n GLY 77 N 2.55 0.75 3.58 -1.23 0.00 -1.26 -4.97 105.19 104.61 1n63 n GLY 77 Ca 0.12 -0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.79 1n63 n GLY 77 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1n63 s VAL 78 N -2.00 4.59 -0.10 1.61 1.01 -0.97 -0.67 120.40 123.88 1n63 s VAL 78 Ca 0.00 -0.10 0.13 0.00 0.00 0.00 0.00 61.98 62.01 1n63 s VAL 78 Cb 0.00 -3.07 -0.19 0.00 0.00 0.00 0.00 36.38 33.11 1n63 s VAL 78 CO 0.00 0.44 0.14 0.49 0.00 0.00 0.00 175.10 176.17 1n63 n PHE 79 N 3.77 0.00 -3.56 5.22 3.01 0.75 -4.93 117.46 121.72 1n63 n PHE 79 Ca -0.17 0.00 -0.17 0.00 1.01 0.00 0.00 57.45 58.13 1n63 n PHE 79 Cb 0.52 -0.58 -0.06 0.00 -0.01 0.00 0.00 39.48 39.35 1n63 n PHE 79 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1n63 s ALA 80 N -2.56 -1.57 -0.22 4.37 0.00 -1.09 -5.00 121.76 115.70 1n63 s ALA 80 Ca -0.06 1.07 -0.03 0.00 0.00 0.00 0.00 51.96 52.94 1n63 s ALA 80 Cb 0.06 0.07 0.07 0.00 0.00 0.00 0.00 23.12 23.32 1n63 s ALA 80 CO 0.59 -0.38 0.05 0.08 0.00 0.00 0.00 175.76 176.10 1n63 s VAL 81 N -1.39 0.52 -0.03 0.00 1.01 -1.26 -1.04 120.40 118.21 1n63 s VAL 81 Ca -0.11 -0.69 -0.18 0.00 0.00 0.00 0.00 61.98 61.00 1n63 s VAL 81 Cb -0.01 -1.11 -0.05 0.00 0.00 0.00 0.00 36.38 35.20 1n63 s VAL 81 CO 0.07 -0.32 0.51 -0.76 0.00 0.00 0.00 175.10 174.61 1n63 s LEU 82 N 1.85 4.40 0.00 3.92 1.43 0.20 -4.90 118.68 125.59 1n63 s LEU 82 Ca 0.01 1.03 0.01 0.00 -1.03 0.00 0.00 54.13 54.15 1n63 s LEU 82 Cb -0.17 -2.78 -0.00 0.00 0.03 0.00 0.00 46.19 43.27 1n63 s LEU 82 CO -0.13 0.15 0.03 0.35 0.23 0.00 0.00 176.35 176.98 1n63 n THR 83 N 2.67 0.00 -0.04 5.49 -2.24 -1.26 -0.77 114.28 118.13 1n63 n THR 83 Ca -0.09 -2.47 0.14 0.00 -2.27 0.00 0.00 64.05 59.37 1n63 n THR 83 Cb 0.51 0.58 0.57 0.00 -2.10 0.00 0.00 70.33 69.89 1n63 n THR 83 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1n63 h ALA 84 N 1.36 2.16 -0.04 6.98 0.00 -1.78 -1.58 119.26 126.36 1n63 h ALA 84 Ca -0.41 -0.01 0.01 0.00 0.00 0.00 0.00 54.91 54.50 1n63 h ALA 84 Cb 1.30 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 19.05 1n63 h ALA 84 CO 0.68 -0.30 0.03 0.00 0.00 0.00 0.00 179.25 179.66 1n63 h ALA 85 N 1.73 2.03 0.00 0.00 0.00 -1.94 0.47 119.26 121.54 1n63 h ALA 85 Ca 0.26 -0.00 -0.12 0.00 0.00 0.00 0.00 54.91 55.04 1n63 h ALA 85 Cb 0.67 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.44 1n63 h ALA 85 CO -0.05 -0.04 -0.57 -0.44 0.00 0.00 0.00 179.25 178.15 1n63 h ASP 86 N 0.01 0.00 0.20 0.00 3.32 -1.69 -3.33 116.42 114.93 1n63 h ASP 86 Ca 0.02 0.00 -0.35 0.00 0.02 0.00 0.00 57.03 56.72 1n63 h ASP 86 Cb 0.06 0.00 -0.05 0.00 0.22 0.00 0.00 39.33 39.56 1n63 h ASP 86 CO -0.00 0.57 -2.07 0.18 -1.72 0.00 0.00 179.24 176.21 1n63 n LEU 87 N -3.39 1.58 0.25 1.55 4.77 0.23 -4.55 117.00 117.43 1n63 n LEU 87 Ca 0.01 0.17 0.16 0.00 -0.03 0.00 0.00 56.01 56.32 1n63 n LEU 87 Cb 0.70 -0.33 0.85 0.00 -2.33 0.00 0.00 43.42 42.31 1n63 n LEU 87 CO 0.41 0.64 1.13 0.50 -1.33 0.00 0.00 177.39 178.75 1n63 h LYS 88 N 0.02 0.00 0.00 3.23 3.64 -0.30 0.79 116.57 123.95 1n63 h LYS 88 Ca -0.43 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.95 1n63 h LYS 88 Cb 2.05 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.87 1n63 h LYS 88 CO 0.04 0.00 -0.42 -2.30 -2.27 0.00 0.00 179.45 174.50 1n63 n PRO 89 N -3.89 0.04 -0.07 1.90 -0.02 -1.26 -2.44 135.00 129.26 1n63 n PRO 89 Ca -0.01 0.01 0.09 0.00 -2.02 0.00 0.00 63.50 61.57 1n63 n PRO 89 Cb 0.20 -1.53 0.35 0.00 -0.02 0.00 0.00 33.50 32.51 1n63 n PRO 89 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 1n63 n LEU 90 N -1.58 1.24 -3.82 2.45 4.77 0.19 -4.91 117.00 115.34 1n63 n LEU 90 Ca 0.05 -0.54 -0.23 0.00 -0.03 0.00 0.00 56.01 55.26 1n63 n LEU 90 Cb 0.35 -0.10 -0.00 0.00 -2.33 0.00 0.00 43.42 41.34 1n63 n LEU 90 CO 0.34 0.27 -0.12 0.59 -1.33 0.00 0.00 177.39 177.14 1n63 n ASN 91 N 0.07 -1.59 -0.21 -1.43 4.13 -1.02 -4.88 115.26 110.33 1n63 n ASN 91 Ca 0.14 -0.67 0.07 0.00 1.68 0.00 0.00 54.58 55.80 1n63 n ASN 91 Cb 0.25 -0.80 0.11 0.00 -1.54 0.00 0.00 39.78 37.79 1n63 n ASN 91 CO 0.00 0.00 0.00 0.18 0.28 0.00 0.00 177.26 177.72 1n63 n LEU 92 N -3.02 1.75 0.21 3.41 4.77 -0.74 -4.59 117.00 118.80 1n63 n LEU 92 Ca -0.08 -2.57 0.10 0.00 -0.03 0.00 0.00 56.01 53.43 1n63 n LEU 92 Cb 0.30 -0.32 0.31 0.00 -2.33 0.00 0.00 43.42 41.37 1n63 n LEU 92 CO 0.39 0.61 0.75 1.12 -1.33 0.00 0.00 177.39 178.93 1n63 h HIS 93 N 0.04 0.00 -3.59 -1.77 2.07 -1.87 -3.43 115.15 106.61 1n63 h HIS 93 Ca -0.00 0.00 -0.56 0.00 -2.85 0.00 0.00 60.37 56.96 1n63 h HIS 93 Cb 1.11 0.00 -0.20 0.00 2.57 0.00 0.00 27.41 30.89 1n63 h HIS 93 CO 0.05 0.20 -0.81 0.71 -3.07 0.00 0.00 177.93 175.01 1n63 s TYR 94 N -3.36 1.89 0.05 6.12 1.51 -1.26 -0.82 117.35 121.47 1n63 s TYR 94 Ca 0.03 -0.43 0.06 0.00 -1.01 0.00 0.00 57.07 55.72 1n63 s TYR 94 Cb 0.08 -0.98 -0.02 0.00 -0.11 0.00 0.00 41.96 40.92 1n63 s TYR 94 CO 0.66 0.30 -0.18 0.00 -1.11 0.00 0.00 175.55 175.21 1n63 s MET 95 N -2.37 1.17 0.67 -0.62 0.23 -0.09 -4.84 119.30 113.45 1n63 s MET 95 Ca 0.12 -0.90 -0.17 0.00 -1.03 0.00 0.00 55.69 53.72 1n63 s MET 95 Cb -0.08 -1.26 0.01 0.00 -1.53 0.00 0.00 34.83 31.97 1n63 s MET 95 CO 0.06 0.31 1.21 -1.25 -2.03 0.00 0.00 175.02 173.32 1n63 s PRO 96 N -1.26 2.51 0.31 3.16 0.04 -1.26 -0.85 135.00 137.64 1n63 s PRO 96 Ca 0.05 1.78 0.09 0.00 0.04 0.00 0.00 61.00 62.96 1n63 s PRO 96 Cb -0.09 -1.88 -0.05 0.00 0.04 0.00 0.00 34.50 32.53 1n63 s PRO 96 CO 0.02 -1.55 0.02 0.95 0.04 0.00 0.00 177.00 176.47 1n63 s THR 97 N -1.83 2.99 0.31 1.26 -4.23 -0.30 -4.80 115.64 109.04 1n63 s THR 97 Ca 0.75 -1.93 0.37 0.00 -1.18 0.00 0.00 61.69 59.70 1n63 s THR 97 Cb -0.30 -2.81 0.38 0.00 1.34 0.00 0.00 72.50 71.11 1n63 s THR 97 CO 0.40 -0.27 2.11 -0.07 -0.54 0.00 0.00 174.62 176.25 1n63 h LEU 98 N 1.82 0.00 -0.98 4.79 3.38 -1.84 -1.58 115.31 120.90 1n63 h LEU 98 Ca -0.43 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.54 1n63 h LEU 98 Cb 1.25 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.00 1n63 h LEU 98 CO 0.63 0.00 0.00 0.00 0.09 0.00 0.00 178.44 179.16 1n63 n ALA 99 N -2.00 2.55 -0.84 1.53 0.00 -1.22 -4.64 120.51 115.89 1n63 n ALA 99 Ca -0.02 -0.47 0.00 0.00 0.00 0.00 0.00 53.44 52.95 1n63 n ALA 99 Cb 0.11 -1.14 0.00 0.00 0.00 0.00 0.00 19.45 18.42 1n63 n ALA 99 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1n63 n GLY 100 N 1.13 0.59 0.00 0.00 0.00 -0.59 -4.82 105.19 101.50 1n63 n GLY 100 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.19 1n63 n GLY 100 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1n63 n ASP 101 N 0.00 0.00 -4.33 1.61 -0.08 -1.26 -4.53 116.55 107.96 1n63 n ASP 101 Ca 0.00 -0.83 -0.20 0.00 -1.51 0.00 0.00 54.79 52.25 1n63 n ASP 101 Cb 0.00 0.00 -0.11 0.00 2.34 0.00 0.00 41.12 43.35 1n63 n ASP 101 CO 0.00 0.00 0.00 0.68 0.12 0.00 0.00 177.20 178.00 1n63 s VAL 102 N 0.80 1.76 -0.01 5.18 -7.23 -1.26 -1.15 120.40 118.48 1n63 s VAL 102 Ca 0.00 -2.05 0.02 0.00 -1.81 0.00 0.00 61.98 58.14 1n63 s VAL 102 Cb 0.00 -1.92 -0.00 0.00 0.56 0.00 0.00 36.38 35.02 1n63 s VAL 102 CO 0.00 -0.46 -0.08 -1.58 -0.31 0.00 0.00 175.10 172.68 1n63 s GLN 103 N -3.19 0.68 0.20 4.82 0.74 -0.03 -4.55 119.66 118.32 1n63 s GLN 103 Ca 0.19 -0.26 -0.31 0.00 0.05 0.00 0.00 55.36 55.02 1n63 s GLN 103 Cb -0.03 -0.66 -0.11 0.00 1.10 0.00 0.00 33.01 33.31 1n63 s GLN 103 CO 0.07 0.14 1.62 0.00 -0.55 0.00 0.00 175.29 176.56 1n63 s ALA 104 N -0.03 3.82 -0.13 1.58 0.00 -1.26 -0.91 121.76 124.84 1n63 s ALA 104 Ca 0.01 1.47 -0.10 0.00 0.00 0.00 0.00 51.96 53.34 1n63 s ALA 104 Cb -0.05 -3.65 -0.08 0.00 0.00 0.00 0.00 23.12 19.34 1n63 s ALA 104 CO -0.00 -0.86 0.17 0.28 0.00 0.00 0.00 175.76 175.35 1n63 h VAL 105 N 3.82 0.50 -4.41 0.00 2.07 -1.24 -3.46 116.25 113.54 1n63 h VAL 105 Ca -0.44 -1.42 -0.62 0.00 0.82 0.00 0.00 66.70 65.04 1n63 h VAL 105 Cb 1.21 0.99 -0.30 0.00 -1.52 0.00 0.00 31.29 31.67 1n63 h VAL 105 CO 0.91 0.17 -0.86 -0.76 0.02 0.00 0.00 177.57 177.04 1n63 s LEU 106 N -8.36 2.04 0.26 2.57 1.43 -1.24 -4.70 118.68 110.67 1n63 s LEU 106 Ca -0.09 -0.40 -0.30 0.00 -1.03 0.00 0.00 54.13 52.31 1n63 s LEU 106 Cb 0.00 -1.12 -0.10 0.00 0.03 0.00 0.00 46.19 45.00 1n63 s LEU 106 CO 0.25 0.26 1.35 0.00 0.23 0.00 0.00 176.35 178.44 1n63 s ALA 107 N -0.46 3.55 0.00 4.21 0.00 -0.46 -4.56 121.76 124.04 1n63 s ALA 107 Ca 0.07 1.23 0.00 0.00 0.00 0.00 0.00 51.96 53.26 1n63 s ALA 107 Cb -0.09 -3.50 0.00 0.00 0.00 0.00 0.00 23.12 19.53 1n63 s ALA 107 CO -0.00 -0.64 0.00 -3.47 0.00 0.00 0.00 175.76 171.65 1n63 n ASP 108 N 1.92 0.00 -0.03 0.00 2.03 -1.26 -4.43 116.55 114.78 1n63 n ASP 108 Ca 0.04 0.00 -0.10 0.00 0.52 0.00 0.00 54.79 55.26 1n63 n ASP 108 Cb 0.42 -0.16 -0.14 0.00 -0.72 0.00 0.00 41.12 40.51 1n63 n ASP 108 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 1n63 n GLU 109 N -1.81 0.65 -3.86 -0.67 1.02 -1.26 -4.74 120.64 109.97 1n63 n GLU 109 Ca 0.00 0.25 -0.09 0.00 -0.02 0.00 0.00 57.16 57.30 1n63 n GLU 109 Cb 0.00 -1.75 -0.07 0.00 -0.02 0.00 0.00 31.44 29.60 1n63 n GLU 109 CO 0.00 0.00 0.00 -1.59 1.18 0.00 0.00 177.13 176.72 1n63 s LYS 110 N -2.58 0.87 -0.03 3.49 -2.85 -1.26 -0.45 119.74 116.93 1n63 s LYS 110 Ca -0.07 -0.97 -0.02 0.00 -1.00 0.00 0.00 55.97 53.90 1n63 s LYS 110 Cb 0.08 0.35 -0.04 0.00 -2.06 0.00 0.00 37.83 36.15 1n63 s LYS 110 CO 0.82 -0.28 0.10 0.14 0.10 0.00 0.00 175.35 176.23 1n63 s VAL 111 N -3.87 4.92 0.00 1.79 -7.23 0.09 -4.79 120.40 111.32 1n63 s VAL 111 Ca 0.06 -0.25 0.00 0.00 -1.81 0.00 0.00 61.98 59.97 1n63 s VAL 111 Cb 0.05 -3.22 0.00 0.00 0.56 0.00 0.00 36.38 33.77 1n63 s VAL 111 CO -0.10 0.42 0.29 0.18 -0.31 0.00 0.00 175.10 175.57 1n63 n LEU 112 N 1.38 0.58 -3.65 1.32 4.77 -1.25 -2.11 117.00 118.03 1n63 n LEU 112 Ca -0.14 -0.70 -0.15 0.00 -0.03 0.00 0.00 56.01 54.98 1n63 n LEU 112 Cb 0.53 0.00 -0.08 0.00 -2.33 0.00 0.00 43.42 41.54 1n63 n LEU 112 CO 0.37 0.14 0.23 0.72 -1.33 0.00 0.00 177.39 177.53 1n63 s PHE 113 N -0.25 -0.47 0.21 -1.77 -0.12 -0.95 -3.69 117.98 110.95 1n63 s PHE 113 Ca 0.00 0.91 -0.31 0.00 -0.05 0.00 0.00 56.93 57.48 1n63 s PHE 113 Cb 0.00 0.24 -0.10 0.00 -0.63 0.00 0.00 43.02 42.53 1n63 s PHE 113 CO 0.00 -0.44 1.52 -1.14 -0.05 0.00 0.00 175.22 175.11 1n63 s GLN 114 N -0.85 4.22 0.00 1.99 0.74 -1.22 -1.85 119.66 122.70 1n63 s GLN 114 Ca -0.09 2.36 0.00 0.00 0.05 0.00 0.00 55.36 57.68 1n63 s GLN 114 Cb -0.03 -3.12 0.00 0.00 1.10 0.00 0.00 33.01 30.96 1n63 s GLN 114 CO 0.05 -0.54 0.00 0.09 -0.55 0.00 0.00 175.29 174.35 1n63 n ASN 115 N 3.12 -2.55 -4.73 6.67 5.03 0.25 -4.87 115.26 118.19 1n63 n ASN 115 Ca 0.10 0.00 -0.38 0.00 0.87 0.00 0.00 54.58 55.18 1n63 n ASN 115 Cb 0.39 -0.42 0.06 0.00 -1.02 0.00 0.00 39.78 38.78 1n63 n ASN 115 CO 0.00 0.00 0.00 1.67 -1.83 0.00 0.00 177.26 177.10 1n63 n GLN 116 N -2.85 1.31 -2.13 3.52 7.27 -0.77 -4.28 117.38 119.45 1n63 n GLN 116 Ca 0.00 0.50 -0.42 0.00 0.07 0.00 0.00 57.00 57.15 1n63 n GLN 116 Cb 0.00 -2.53 -0.03 0.00 2.41 0.00 0.00 30.24 30.09 1n63 n GLN 116 CO 0.00 0.00 0.00 -1.21 0.07 0.00 0.00 177.06 175.92 1n63 s GLU 117 N -3.16 4.27 -0.04 3.69 8.01 -1.26 -0.50 118.70 129.71 1n63 s GLU 117 Ca 0.78 2.09 0.02 0.00 0.01 0.00 0.00 54.97 57.87 1n63 s GLU 117 Cb -0.40 -3.49 -0.04 0.00 -4.31 0.00 0.00 34.13 25.90 1n63 s GLU 117 CO 0.44 -0.58 -0.01 0.28 0.01 0.00 0.00 175.26 175.39 1n63 n VAL 118 N 4.49 0.24 -3.72 2.63 0.31 0.24 -1.36 118.33 121.17 1n63 n VAL 118 Ca 0.13 -0.12 -0.12 0.00 -0.01 0.00 0.00 64.34 64.22 1n63 n VAL 118 Cb 0.42 -0.79 -0.07 0.00 -0.91 0.00 0.00 33.84 32.50 1n63 n VAL 118 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1n63 s ALA 119 N -2.09 -0.79 -0.25 3.52 0.00 -1.05 -4.34 121.76 116.76 1n63 s ALA 119 Ca -0.04 0.09 0.01 0.00 0.00 0.00 0.00 51.96 52.02 1n63 s ALA 119 Cb 0.01 0.36 0.07 0.00 0.00 0.00 0.00 23.12 23.56 1n63 s ALA 119 CO 0.12 -0.44 -0.05 0.12 0.00 0.00 0.00 175.76 175.51 1n63 s PHE 120 N -2.64 2.65 -0.02 0.00 5.36 0.05 -0.58 117.98 122.79 1n63 s PHE 120 Ca -0.04 -1.97 -0.18 0.00 -0.96 0.00 0.00 56.93 53.77 1n63 s PHE 120 Cb -0.01 -1.77 -0.05 0.00 -0.34 0.00 0.00 43.02 40.85 1n63 s PHE 120 CO -0.04 -0.82 0.50 0.08 -1.46 0.00 0.00 175.22 173.49 1n63 s VAL 121 N 1.31 4.99 -0.13 3.12 1.01 0.40 -0.63 120.40 130.47 1n63 s VAL 121 Ca -0.04 1.04 0.02 0.00 0.00 0.00 0.00 61.98 63.00 1n63 s VAL 121 Cb -0.19 -3.83 0.01 0.00 0.00 0.00 0.00 36.38 32.37 1n63 s VAL 121 CO -0.07 0.47 -0.19 -0.69 0.00 0.00 0.00 175.10 174.62 1n63 s VAL 122 N -0.40 1.81 0.27 2.92 1.01 -0.20 -1.02 120.40 124.79 1n63 s VAL 122 Ca 0.27 -0.83 0.03 0.00 0.00 0.00 0.00 61.98 61.46 1n63 s VAL 122 Cb -0.17 -1.62 -0.04 0.00 0.00 0.00 0.00 36.38 34.55 1n63 s VAL 122 CO 0.14 0.50 0.20 0.00 0.00 0.00 0.00 175.10 175.95 1n63 s ALA 123 N 0.91 1.58 0.26 5.51 0.00 0.08 -0.18 121.76 129.92 1n63 s ALA 123 Ca -0.06 -1.88 -0.02 0.00 0.00 0.00 0.00 51.96 50.00 1n63 s ALA 123 Cb -0.15 1.41 0.49 0.00 0.00 0.00 0.00 23.12 24.87 1n63 s ALA 123 CO -0.02 -0.62 1.78 -0.22 0.00 0.00 0.00 175.76 176.69 1n63 h LYS 124 N 2.35 0.68 0.00 0.00 3.64 -1.17 0.12 116.57 122.18 1n63 h LYS 124 Ca -0.31 -0.04 -0.08 0.00 -1.27 0.00 0.00 60.65 58.95 1n63 h LYS 124 Cb 1.24 -0.15 -0.01 0.00 -0.41 0.00 0.00 32.23 32.90 1n63 h LYS 124 CO 0.45 0.45 0.17 -0.40 -2.27 0.00 0.00 179.45 177.85 1n63 n ASP 125 N -4.81 -1.92 0.20 4.20 5.68 -1.26 -4.45 116.55 114.18 1n63 n ASP 125 Ca 0.16 -2.53 0.07 0.00 -0.50 0.00 0.00 54.79 51.99 1n63 n ASP 125 Cb 0.38 3.25 0.32 0.00 -1.14 0.00 0.00 41.12 43.93 1n63 n ASP 125 CO 0.00 0.00 0.00 0.08 -1.33 0.00 0.00 177.20 175.95 1n63 h ARG 126 N 0.00 0.00 -0.17 0.11 0.11 -1.88 -0.73 114.38 111.82 1n63 h ARG 126 Ca -0.30 0.00 -0.08 0.00 0.10 0.00 0.00 59.98 59.71 1n63 h ARG 126 Cb 1.13 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 32.20 1n63 h ARG 126 CO 0.38 0.32 -0.20 1.88 0.10 0.00 0.00 179.97 182.44 1n63 h TYR 127 N 0.00 0.53 -0.62 4.08 -1.99 -1.99 -2.09 116.97 114.90 1n63 h TYR 127 Ca -0.00 -0.17 -0.07 0.00 2.00 0.00 0.00 58.73 60.50 1n63 h TYR 127 Cb 0.94 -0.11 -0.02 0.00 2.00 0.00 0.00 36.73 39.54 1n63 h TYR 127 CO 0.00 0.83 0.13 0.28 -0.00 0.00 0.00 178.16 179.40 1n63 h VAL 128 N 0.07 1.26 -0.54 -2.88 2.07 -1.93 -1.98 116.25 112.31 1n63 h VAL 128 Ca 0.02 -0.95 0.05 0.00 0.82 0.00 0.00 66.70 66.64 1n63 h VAL 128 Cb 0.76 0.69 -0.05 0.00 -1.52 0.00 0.00 31.29 31.17 1n63 h VAL 128 CO 0.05 0.36 0.27 0.00 0.02 0.00 0.00 177.57 178.26 1n63 h ALA 129 N 1.04 0.70 -0.85 1.67 0.00 -1.15 -1.22 119.26 119.44 1n63 h ALA 129 Ca 0.19 0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.12 1n63 h ALA 129 Cb 0.38 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 18.07 1n63 h ALA 129 CO 0.01 -0.08 0.51 0.00 0.00 0.00 0.00 179.25 179.68 1n63 h ALA 130 N 1.30 1.30 -0.66 0.00 0.00 -1.02 -1.48 119.26 118.70 1n63 h ALA 130 Ca 0.24 -0.10 -0.03 0.00 0.00 0.00 0.00 54.91 55.03 1n63 h ALA 130 Cb 0.16 -0.34 -0.03 0.00 0.00 0.00 0.00 17.79 17.58 1n63 h ALA 130 CO -0.17 0.60 0.30 -0.44 0.00 0.00 0.00 179.25 179.53 1n63 h ASP 131 N 1.17 0.88 0.23 0.00 3.32 -0.83 -3.11 116.42 118.07 1n63 h ASP 131 Ca 0.30 -0.15 -0.18 0.00 0.02 0.00 0.00 57.03 57.02 1n63 h ASP 131 Cb -0.05 -0.23 -0.00 0.00 0.22 0.00 0.00 39.33 39.27 1n63 h ASP 131 CO -0.06 0.78 -0.72 0.00 -1.72 0.00 0.00 179.24 177.52 1n63 h ALA 132 N 1.13 0.59 -0.40 3.45 0.00 -0.74 -2.82 119.26 120.48 1n63 h ALA 132 Ca 0.22 -0.60 0.02 0.00 0.00 0.00 0.00 54.91 54.55 1n63 h ALA 132 Cb 0.15 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 1n63 h ALA 132 CO -0.02 0.76 0.27 0.82 0.00 0.00 0.00 179.25 181.07 1n63 h ILE 133 N 0.29 1.05 0.00 0.00 2.04 -1.22 -1.45 117.51 118.22 1n63 h ILE 133 Ca -0.03 -0.16 -0.01 0.00 1.00 0.00 0.00 64.86 65.66 1n63 h ILE 133 Cb 1.30 0.55 -0.00 0.00 -0.74 0.00 0.00 36.82 37.93 1n63 h ILE 133 CO 0.13 0.08 -0.04 -0.33 0.00 0.00 0.00 178.15 177.99 1n63 h GLU 134 N 0.46 0.00 0.00 2.37 4.39 -1.48 -2.93 114.58 117.39 1n63 h GLU 134 Ca 0.16 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.86 1n63 h GLU 134 Cb 0.06 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.71 1n63 h GLU 134 CO -0.04 0.04 -0.70 -0.07 -1.16 0.00 0.00 179.01 177.08 1n63 h LEU 135 N 0.00 0.00 -9.41 1.33 3.38 -1.31 -3.46 115.31 105.85 1n63 h LEU 135 Ca -0.00 -0.09 -0.54 0.00 0.09 0.00 0.00 57.88 57.33 1n63 h LEU 135 Cb 0.45 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.20 1n63 h LEU 135 CO 0.01 0.05 0.74 -0.69 0.09 0.00 0.00 178.44 178.63 1n63 s VAL 136 N -3.25 3.83 -0.20 1.22 1.01 -1.11 -4.42 120.40 117.47 1n63 s VAL 136 Ca 0.04 1.24 -0.05 0.00 0.00 0.00 0.00 61.98 63.21 1n63 s VAL 136 Cb 0.11 -3.80 -0.02 0.00 0.00 0.00 0.00 36.38 32.67 1n63 s VAL 136 CO 0.74 0.03 -0.00 -1.61 0.00 0.00 0.00 175.10 174.26 1n63 s GLU 137 N 1.92 3.60 -0.13 2.72 2.02 -0.60 -4.97 118.70 123.26 1n63 s GLU 137 Ca 0.61 -0.53 -0.00 0.00 0.02 0.00 0.00 54.97 55.07 1n63 s GLU 137 Cb -0.30 -3.06 -0.02 0.00 0.10 0.00 0.00 34.13 30.84 1n63 s GLU 137 CO 0.27 0.01 -0.11 0.08 0.02 0.00 0.00 175.26 175.52 1n63 s VAL 138 N 1.00 3.23 -0.24 2.63 1.01 -1.26 0.01 120.40 126.78 1n63 s VAL 138 Ca 0.02 -0.60 -0.09 0.00 0.00 0.00 0.00 61.98 61.30 1n63 s VAL 138 Cb -0.14 -2.36 -0.04 0.00 0.00 0.00 0.00 36.38 33.83 1n63 s VAL 138 CO 0.02 0.53 0.12 -0.62 0.00 0.00 0.00 175.10 175.14 1n63 s ASP 139 N 0.23 5.69 0.16 3.32 3.68 -0.64 -5.03 116.67 124.08 1n63 s ASP 139 Ca -0.07 -0.02 0.07 0.00 2.13 0.00 0.00 52.55 54.66 1n63 s ASP 139 Cb -0.15 -2.02 -0.04 0.00 -1.45 0.00 0.00 42.92 39.26 1n63 s ASP 139 CO 0.05 0.04 -0.01 -0.31 0.13 0.00 0.00 175.17 175.07 1n63 s TYR 140 N 1.20 2.84 -0.26 -5.34 1.51 -1.26 -0.49 117.35 115.54 1n63 s TYR 140 Ca 0.06 -0.13 0.02 0.00 -1.01 0.00 0.00 57.07 56.01 1n63 s TYR 140 Cb -0.14 -1.39 0.07 0.00 -0.11 0.00 0.00 41.96 40.38 1n63 s TYR 140 CO 0.05 0.51 -0.04 -2.00 -1.11 0.00 0.00 175.55 172.95 1n63 s GLU 141 N -2.84 1.72 0.46 -0.62 2.12 0.20 -4.90 118.70 114.85 1n63 s GLU 141 Ca 0.27 -1.24 -0.22 0.00 0.36 0.00 0.00 54.97 54.13 1n63 s GLU 141 Cb -0.10 -2.74 -0.08 0.00 0.26 0.00 0.00 34.13 31.48 1n63 s GLU 141 CO 0.18 -0.67 1.11 -2.14 -0.54 0.00 0.00 175.26 173.20 1n63 s PRO 142 N 1.24 3.80 0.26 4.30 0.02 -1.26 -0.57 135.00 142.78 1n63 s PRO 142 Ca -0.03 1.61 0.11 0.00 0.02 0.00 0.00 61.00 62.71 1n63 s PRO 142 Cb -0.19 -2.32 -0.05 0.00 0.02 0.00 0.00 34.50 31.96 1n63 s PRO 142 CO -0.07 -0.48 -0.18 -0.51 -0.33 0.00 0.00 177.00 175.42 1n63 s LEU 143 N -3.14 2.58 0.27 -5.54 1.43 -0.04 -4.84 118.68 109.39 1n63 s LEU 143 Ca 0.64 -1.02 -0.30 0.00 -1.03 0.00 0.00 54.13 52.42 1n63 s LEU 143 Cb -0.24 -0.97 -0.11 0.00 0.03 0.00 0.00 46.19 44.90 1n63 s LEU 143 CO 0.29 -0.02 1.59 -2.84 0.23 0.00 0.00 176.35 175.60 1n63 s PRO 144 N -3.53 4.15 -0.02 1.29 0.02 -1.26 -4.68 135.00 130.98 1n63 s PRO 144 Ca 0.27 2.53 -0.12 0.00 0.02 0.00 0.00 61.00 63.71 1n63 s PRO 144 Cb -0.04 -3.05 -0.05 0.00 0.02 0.00 0.00 34.50 31.38 1n63 s PRO 144 CO 0.12 -0.62 0.33 0.08 -0.33 0.00 0.00 177.00 176.59 1n63 s VAL 145 N 0.19 5.17 -0.24 3.83 1.01 -1.26 -4.82 120.40 124.28 1n63 s VAL 145 Ca 0.64 0.59 -0.01 0.00 0.00 0.00 0.00 61.98 63.20 1n63 s VAL 145 Cb -0.47 -3.62 0.03 0.00 0.00 0.00 0.00 36.38 32.32 1n63 s VAL 145 CO 0.45 0.53 -0.08 -0.22 0.00 0.00 0.00 175.10 175.78 1n63 s LEU 146 N -1.24 3.07 0.00 3.92 2.96 -1.26 -4.94 118.68 121.20 1n63 s LEU 146 Ca 0.23 -0.85 0.00 0.00 -0.22 0.00 0.00 54.13 53.30 1n63 s LEU 146 Cb -0.15 -1.64 0.00 0.00 0.50 0.00 0.00 46.19 44.90 1n63 s LEU 146 CO 0.12 -0.11 0.00 1.33 -1.32 0.00 0.00 176.35 176.37 1n63 n VAL 147 N 4.66 0.00 -3.38 1.68 0.24 -1.26 -0.54 118.33 119.73 1n63 n VAL 147 Ca -0.17 -0.28 -0.44 0.00 -2.04 0.00 0.00 64.34 61.42 1n63 n VAL 147 Cb 0.47 0.87 -0.09 0.00 -1.47 0.00 0.00 33.84 33.63 1n63 n VAL 147 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 1n63 s ASP 148 N -0.81 6.15 0.61 -1.34 -1.08 -1.26 -4.93 116.67 114.01 1n63 s ASP 148 Ca 0.00 -1.03 0.37 0.00 -0.52 0.00 0.00 52.55 51.38 1n63 s ASP 148 Cb 0.00 -2.19 1.96 0.00 -1.46 0.00 0.00 42.92 41.22 1n63 s ASP 148 CO 0.00 -0.59 2.22 1.55 0.52 0.00 0.00 175.17 178.88 1n63 h PRO 149 N 8.73 0.00 0.00 4.34 0.13 -1.94 -0.42 132.00 142.83 1n63 h PRO 149 Ca -0.27 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.86 1n63 h PRO 149 Cb 1.11 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.24 1n63 h PRO 149 CO 0.82 0.02 0.00 0.74 -0.23 0.00 0.00 178.00 179.35 1n63 h PHE 150 N 0.00 0.00 -0.53 1.56 -1.00 -1.99 -2.19 116.94 112.79 1n63 h PHE 150 Ca -0.00 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.78 1n63 h PHE 150 Cb 0.17 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.73 1n63 h PHE 150 CO 0.00 0.00 0.00 1.63 -1.61 0.00 0.00 178.31 178.33 1n63 n LYS 151 N -2.73 2.89 0.13 1.51 5.02 -0.18 -4.65 118.16 120.15 1n63 n LYS 151 Ca 0.02 -2.41 -0.01 0.00 -2.02 0.00 0.00 58.31 53.88 1n63 n LYS 151 Cb 0.29 -1.47 0.14 0.00 -0.02 0.00 0.00 35.03 33.98 1n63 n LYS 151 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1n63 h ALA 152 N 3.13 0.88 -0.54 7.82 0.00 -1.25 -2.79 119.26 126.51 1n63 h ALA 152 Ca 0.00 -0.59 -0.22 0.00 0.00 0.00 0.00 54.91 54.10 1n63 h ALA 152 Cb 0.93 -0.10 -0.13 0.00 0.00 0.00 0.00 17.79 18.48 1n63 h ALA 152 CO 0.03 0.81 0.15 -1.33 0.00 0.00 0.00 179.25 178.91 1n63 n MET 153 N -3.70 2.44 -2.02 0.00 2.81 -1.26 -4.54 117.12 110.86 1n63 n MET 153 Ca -0.01 -3.07 -0.31 0.00 -1.81 0.00 0.00 57.70 52.50 1n63 n MET 153 Cb 0.66 -1.97 -0.00 0.00 -0.71 0.00 0.00 33.22 31.20 1n63 n MET 153 CO 0.00 0.00 0.00 -1.21 1.51 0.00 0.00 175.97 176.27 1n63 s GLU 154 N -3.14 3.68 0.38 0.03 2.02 -1.05 -4.96 118.70 115.66 1n63 s GLU 154 Ca 0.49 0.79 0.08 0.00 0.02 0.00 0.00 54.97 56.34 1n63 s GLU 154 Cb 0.42 -2.10 0.76 0.00 0.10 0.00 0.00 34.13 33.31 1n63 s GLU 154 CO 0.06 -0.49 1.93 -1.35 0.02 0.00 0.00 175.26 175.44 1n63 h PRO 155 N -0.01 0.35 -0.67 0.39 0.11 -1.94 -2.25 132.00 127.99 1n63 h PRO 155 Ca -0.45 -0.07 0.00 0.00 0.11 0.00 0.00 66.00 65.60 1n63 h PRO 155 Cb 1.19 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.24 1n63 h PRO 155 CO 0.62 0.41 0.00 -0.40 -0.21 0.00 0.00 178.00 178.42 1n63 n ASP 156 N -4.32 4.04 -4.78 -2.05 5.75 -1.26 -4.96 116.55 108.98 1n63 n ASP 156 Ca 0.00 -2.19 -0.41 0.00 -0.01 0.00 0.00 54.79 52.18 1n63 n ASP 156 Cb 0.22 -0.51 -0.01 0.00 -1.03 0.00 0.00 41.12 39.80 1n63 n ASP 156 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1n63 s ALA 157 N -1.43 3.57 0.30 2.12 0.00 -0.85 -4.92 121.76 120.55 1n63 s ALA 157 Ca 0.47 1.51 -0.27 0.00 0.00 0.00 0.00 51.96 53.67 1n63 s ALA 157 Cb 0.27 -3.59 -0.14 0.00 0.00 0.00 0.00 23.12 19.66 1n63 s ALA 157 CO 0.27 -0.97 0.89 -2.30 0.00 0.00 0.00 175.76 173.65 1n63 n PRO 158 N 0.61 1.08 -2.72 0.00 -0.02 -1.26 -4.91 135.00 127.79 1n63 n PRO 158 Ca 0.01 0.38 -0.42 0.00 -2.02 0.00 0.00 63.50 61.45 1n63 n PRO 158 Cb 0.40 -1.70 -0.03 0.00 -0.02 0.00 0.00 33.50 32.14 1n63 n PRO 158 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 1n63 s LEU 159 N 0.89 3.82 -0.13 2.45 0.20 -1.26 -4.86 118.68 119.79 1n63 s LEU 159 Ca 0.60 -0.68 -0.07 0.00 0.69 0.00 0.00 54.13 54.67 1n63 s LEU 159 Cb -0.72 -2.53 -0.03 0.00 -0.43 0.00 0.00 46.19 42.48 1n63 s LEU 159 CO 0.59 -1.59 -0.09 -0.07 -0.29 0.00 0.00 176.35 174.90 1n63 h LEU 160 N 12.04 0.00 -7.37 -0.68 4.07 -1.90 -3.41 115.31 118.06 1n63 h LEU 160 Ca -0.28 -0.03 -0.77 0.00 0.08 0.00 0.00 57.88 56.88 1n63 h LEU 160 Cb 1.06 0.00 -0.21 0.00 1.08 0.00 0.00 40.66 42.59 1n63 h LEU 160 CO 1.22 0.69 1.17 0.54 -1.08 0.00 0.00 178.44 180.99 1n63 n ARG 161 N -4.67 3.58 0.26 1.13 5.12 -1.26 -4.73 116.66 116.08 1n63 n ARG 161 Ca -0.05 -4.03 0.11 0.00 -1.93 0.00 0.00 57.85 51.94 1n63 n ARG 161 Cb 0.19 -2.83 0.68 0.00 -1.16 0.00 0.00 32.46 29.34 1n63 n ARG 161 CO 0.00 0.00 0.00 0.93 -1.93 0.00 0.00 177.63 176.63 1n63 h GLU 162 N 6.58 0.00 0.00 5.56 5.08 -1.97 -2.67 114.58 127.15 1n63 h GLU 162 Ca 0.28 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.61 1n63 h GLU 162 Cb 0.80 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.05 1n63 h GLU 162 CO 1.26 0.12 -0.17 0.38 -1.00 0.00 0.00 179.01 179.60 1n63 h ASP 163 N 0.00 0.00 0.00 1.42 2.03 -1.99 -2.81 116.42 115.07 1n63 h ASP 163 Ca -0.00 0.00 -0.03 0.00 -0.73 0.00 0.00 57.03 56.27 1n63 h ASP 163 Cb 0.27 0.00 -0.06 0.00 -0.83 0.00 0.00 39.33 38.71 1n63 h ASP 163 CO 0.02 0.17 -0.48 2.30 -1.03 0.00 0.00 179.24 180.22 1n63 n ILE 164 N -3.32 1.70 -0.31 4.15 -5.35 -1.04 -4.86 119.36 110.33 1n63 n ILE 164 Ca 0.00 -2.54 0.08 0.00 -0.27 0.00 0.00 62.75 60.03 1n63 n ILE 164 Cb 0.41 -0.02 0.30 0.00 -1.74 0.00 0.00 39.64 38.59 1n63 n ILE 164 CO 0.00 0.00 0.00 0.50 -1.76 0.00 0.00 176.55 175.29 1n63 h LYS 165 N 0.74 0.85 -0.00 6.28 3.64 -1.21 -0.89 116.57 125.98 1n63 h LYS 165 Ca -0.03 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.29 1n63 h LYS 165 Cb 1.16 -0.19 0.00 0.00 -0.41 0.00 0.00 32.23 32.78 1n63 h LYS 165 CO 0.02 0.56 -0.29 -0.25 -2.27 0.00 0.00 179.45 177.22 1n63 n ASP 166 N -4.57 0.30 -4.46 4.20 8.00 -1.26 -4.77 116.55 113.98 1n63 n ASP 166 Ca 0.17 0.05 -0.44 0.00 0.71 0.00 0.00 54.79 55.28 1n63 n ASP 166 Cb 0.37 -0.06 -0.01 0.00 -0.02 0.00 0.00 41.12 41.40 1n63 n ASP 166 CO 0.00 0.00 0.00 -0.75 -0.39 0.00 0.00 177.20 176.06 1n63 s LYS 167 N -2.99 3.91 0.24 -1.24 2.20 -0.34 -4.85 119.74 116.67 1n63 s LYS 167 Ca 0.13 -2.26 0.26 0.00 -0.36 0.00 0.00 55.97 53.73 1n63 s LYS 167 Cb 0.18 -5.03 0.77 0.00 -1.51 0.00 0.00 37.83 32.24 1n63 s LYS 167 CO 0.63 -1.79 1.76 0.52 -0.36 0.00 0.00 175.35 176.11 1n63 h MET 168 N 7.79 0.00 -4.97 4.03 2.86 -1.86 -3.40 114.93 119.38 1n63 h MET 168 Ca 0.26 0.00 -0.64 0.00 -2.06 0.00 0.00 59.70 57.26 1n63 h MET 168 Cb 0.93 0.00 -0.21 0.00 0.06 0.00 0.00 31.60 32.38 1n63 h MET 168 CO 1.20 0.00 -0.59 0.99 1.06 0.00 0.00 176.91 179.57 1n63 s THR 169 N -3.12 4.58 0.00 2.22 2.01 -1.26 -0.15 115.64 119.92 1n63 s THR 169 Ca 0.10 -0.08 0.00 0.00 0.31 0.00 0.00 61.69 62.02 1n63 s THR 169 Cb 0.11 -3.15 0.00 0.00 0.01 0.00 0.00 72.50 69.48 1n63 s THR 169 CO 0.60 0.33 0.00 0.61 -0.69 0.00 0.00 174.62 175.47 1n63 n GLY 170 N 4.82 1.32 0.20 4.40 0.00 -0.42 -4.96 105.19 110.55 1n63 n GLY 170 Ca -0.16 -1.61 0.13 0.00 0.00 0.00 0.00 46.02 44.38 1n63 n GLY 170 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1n63 h ALA 171 N -1.58 1.00 -1.08 4.61 0.00 -1.86 -3.31 119.26 117.03 1n63 h ALA 171 Ca 0.00 0.00 -0.46 0.00 0.00 0.00 0.00 54.91 54.45 1n63 h ALA 171 Cb 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 17.79 17.38 1n63 h ALA 171 CO 0.00 0.00 -0.95 0.72 0.00 0.00 0.00 179.25 179.02 1n63 n HIS 172 N -2.93 2.28 -2.58 0.00 8.25 -1.26 -5.03 115.22 113.96 1n63 n HIS 172 Ca 0.04 -2.74 0.00 0.00 -0.26 0.00 0.00 57.72 54.76 1n63 n HIS 172 Cb 0.49 -0.24 0.00 0.00 1.12 0.00 0.00 29.99 31.36 1n63 n HIS 172 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1n63 n GLY 173 N -0.39 -1.83 3.77 -1.41 0.00 -1.25 -4.43 105.19 99.64 1n63 n GLY 173 Ca 0.26 -1.62 -0.38 0.00 0.00 0.00 0.00 46.02 44.28 1n63 n GLY 173 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1n63 s ALA 174 N -1.36 3.09 -0.13 4.61 0.00 -1.26 -1.30 121.76 125.41 1n63 s ALA 174 Ca 0.00 1.10 -0.03 0.00 0.00 0.00 0.00 51.96 53.03 1n63 s ALA 174 Cb 0.00 -3.44 -0.03 0.00 0.00 0.00 0.00 23.12 19.65 1n63 s ALA 174 CO 0.00 -0.79 -0.02 1.03 0.00 0.00 0.00 175.76 175.99 1n63 s ARG 175 N -2.48 3.43 0.00 0.00 0.52 0.79 -4.37 118.95 116.83 1n63 s ARG 175 Ca 0.61 -0.46 0.23 0.00 -0.52 0.00 0.00 55.73 55.58 1n63 s ARG 175 Cb -0.34 -2.89 0.18 0.00 0.52 0.00 0.00 34.95 32.42 1n63 s ARG 175 CO 0.42 0.42 1.22 0.36 0.02 0.00 0.00 175.30 177.74 1n63 n LYS 176 N 3.00 2.13 -3.56 3.54 2.85 -1.26 -4.88 118.16 119.98 1n63 n LYS 176 Ca -0.18 -1.85 -0.12 0.00 -1.05 0.00 0.00 58.31 55.11 1n63 n LYS 176 Cb 0.53 -1.43 -0.05 0.00 -0.65 0.00 0.00 35.03 33.42 1n63 n LYS 176 CO 0.00 0.00 0.00 -1.58 -0.05 0.00 0.00 177.40 175.77 1n63 s HIS 177 N -1.87 -0.45 0.50 5.58 5.04 -1.26 -5.01 115.29 117.81 1n63 s HIS 177 Ca 0.26 0.74 0.24 0.00 -1.54 0.00 0.00 55.06 54.76 1n63 s HIS 177 Cb 0.19 0.45 1.30 0.00 0.04 0.00 0.00 32.58 34.56 1n63 s HIS 177 CO 0.28 -0.43 1.94 1.12 -2.34 0.00 0.00 174.74 175.32 1n63 h HIS 178 N 2.64 0.16 -0.70 3.88 2.07 -1.93 -0.28 115.15 121.00 1n63 h HIS 178 Ca -0.21 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.32 1n63 h HIS 178 Cb 1.16 -0.05 0.00 0.00 2.57 0.00 0.00 27.41 31.09 1n63 h HIS 178 CO 0.31 0.06 0.00 0.09 -3.07 0.00 0.00 177.93 175.32 1n63 n ASN 179 N -4.39 4.27 -4.73 3.10 3.02 -1.26 -4.73 115.26 110.53 1n63 n ASN 179 Ca 0.13 -2.18 -0.39 0.00 -0.03 0.00 0.00 54.58 52.11 1n63 n ASN 179 Cb 0.67 -0.53 -0.05 0.00 -0.61 0.00 0.00 39.78 39.26 1n63 n ASN 179 CO 0.00 0.00 0.00 -2.28 -2.62 0.00 0.00 177.26 172.36 1n63 s HIS 180 N -1.35 3.62 -0.23 3.10 2.46 -0.12 -1.17 115.29 121.60 1n63 s HIS 180 Ca 0.50 1.24 -0.15 0.00 0.47 0.00 0.00 55.06 57.13 1n63 s HIS 180 Cb 0.29 -2.74 -0.17 0.00 -0.13 0.00 0.00 32.58 29.82 1n63 s HIS 180 CO 0.30 0.18 -0.02 -0.89 -2.47 0.00 0.00 174.74 171.84 1n63 n ILE 181 N 3.40 1.56 -3.53 0.89 5.41 0.42 -4.75 119.36 122.76 1n63 n ILE 181 Ca -0.03 -0.28 -0.08 0.00 1.00 0.00 0.00 62.75 63.35 1n63 n ILE 181 Cb 0.51 -1.89 -0.03 0.00 -0.71 0.00 0.00 39.64 37.53 1n63 n ILE 181 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 176.55 177.27 1n63 s PHE 182 N -2.45 -0.32 -0.10 1.39 -0.12 -1.23 -4.68 117.98 110.46 1n63 s PHE 182 Ca -0.32 0.28 0.03 0.00 -0.05 0.00 0.00 56.93 56.87 1n63 s PHE 182 Cb 0.10 0.52 0.01 0.00 -0.63 0.00 0.00 43.02 43.01 1n63 s PHE 182 CO 0.58 -0.45 -0.20 0.50 -0.05 0.00 0.00 175.22 175.60 1n63 s ARG 183 N -2.60 2.64 -0.01 1.99 6.06 -1.26 -1.31 118.95 124.46 1n63 s ARG 183 Ca 0.04 -0.73 0.03 0.00 -2.50 0.00 0.00 55.73 52.58 1n63 s ARG 183 Cb -0.01 -2.09 -0.01 0.00 0.06 0.00 0.00 34.95 32.91 1n63 s ARG 183 CO -0.06 0.06 -0.11 -0.46 -2.50 0.00 0.00 175.30 172.23 1n63 s TRP 184 N 0.63 1.03 0.06 5.12 -0.00 -0.09 -4.92 118.94 120.77 1n63 s TRP 184 Ca -0.13 -0.22 -0.04 0.00 -0.00 0.00 0.00 56.10 55.71 1n63 s TRP 184 Cb -0.16 -0.68 -0.03 0.00 -0.00 0.00 0.00 33.47 32.60 1n63 s TRP 184 CO 0.04 -0.05 0.05 -1.21 -0.00 0.00 0.00 176.95 175.78 1n63 s GLU 185 N -0.13 0.66 -0.01 5.86 2.02 -1.26 -0.60 118.70 125.25 1n63 s GLU 185 Ca 0.02 -1.07 -0.27 0.00 0.02 0.00 0.00 54.97 53.67 1n63 s GLU 185 Cb -0.06 0.25 0.06 0.00 0.10 0.00 0.00 34.13 34.48 1n63 s GLU 185 CO -0.00 -0.16 0.60 -1.50 0.02 0.00 0.00 175.26 174.23 1n63 s ILE 186 N -3.68 0.01 0.00 -1.63 2.07 -0.56 -5.01 121.20 112.40 1n63 s ILE 186 Ca 0.04 -0.09 0.00 0.00 -1.41 0.00 0.00 60.65 59.19 1n63 s ILE 186 Cb 0.06 -0.95 0.00 0.00 0.13 0.00 0.00 42.46 41.69 1n63 s ILE 186 CO -0.09 -0.05 0.00 0.61 -1.91 0.00 0.00 174.94 173.49 1n63 n GLY 187 N 0.74 0.85 3.40 1.50 0.00 -1.26 -1.23 105.19 109.17 1n63 n GLY 187 Ca -0.19 -2.14 -0.44 0.00 0.00 0.00 0.00 46.02 43.24 1n63 n GLY 187 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1n63 s ASP 188 N 0.00 6.23 0.06 1.61 2.15 -0.59 -4.89 116.67 121.25 1n63 s ASP 188 Ca 0.00 -1.41 -0.20 0.00 0.43 0.00 0.00 52.55 51.37 1n63 s ASP 188 Cb 0.00 -2.33 -0.11 0.00 -0.30 0.00 0.00 42.92 40.17 1n63 s ASP 188 CO 0.00 -1.18 1.49 0.50 -0.17 0.00 0.00 175.17 175.81 1n63 h LYS 189 N 9.21 0.32 -0.46 4.34 3.64 -1.90 -1.46 116.57 130.26 1n63 h LYS 189 Ca -0.25 -0.10 -0.13 0.00 -1.27 0.00 0.00 60.65 58.89 1n63 h LYS 189 Cb 1.08 -0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 32.86 1n63 h LYS 189 CO 1.11 0.54 -0.23 0.93 -2.27 0.00 0.00 179.45 179.52 1n63 h GLU 190 N 0.06 0.97 -0.39 1.90 3.07 -1.97 0.01 114.58 118.23 1n63 h GLU 190 Ca 0.05 -0.43 -0.13 0.00 -0.50 0.00 0.00 59.36 58.35 1n63 h GLU 190 Cb 0.40 -0.03 -0.01 0.00 -0.84 0.00 0.00 28.75 28.27 1n63 h GLU 190 CO 0.01 1.10 -0.29 0.78 -1.40 0.00 0.00 179.01 179.21 1n63 h GLY 191 N 0.81 0.92 0.95 -3.84 0.00 -1.97 -0.89 103.07 99.05 1n63 h GLY 191 Ca 0.10 -0.85 -0.09 0.00 0.00 0.00 0.00 47.33 46.50 1n63 h GLY 191 CO 0.07 0.77 -0.12 -0.84 0.00 0.00 0.00 176.54 176.41 1n63 h THR 192 N 0.72 1.28 -0.48 4.70 2.02 -1.07 -1.83 112.91 118.25 1n63 h THR 192 Ca 0.08 -1.22 -0.02 0.00 0.77 0.00 0.00 66.41 66.03 1n63 h THR 192 Cb 0.84 1.34 -0.02 0.00 -1.74 0.00 0.00 68.15 68.57 1n63 h THR 192 CO 0.07 0.40 0.23 0.44 0.37 0.00 0.00 175.52 177.03 1n63 h ASP 193 N 0.48 0.64 -0.42 4.18 3.32 -0.85 -0.99 116.42 122.79 1n63 h ASP 193 Ca 0.08 -0.13 -0.05 0.00 0.02 0.00 0.00 57.03 56.95 1n63 h ASP 193 Cb 0.65 -0.16 -0.02 0.00 0.22 0.00 0.00 39.33 40.01 1n63 h ASP 193 CO 0.04 0.59 0.11 0.00 -1.72 0.00 0.00 179.24 178.27 1n63 h ALA 194 N 1.07 1.28 -0.41 3.45 0.00 -1.07 -0.42 119.26 123.16 1n63 h ALA 194 Ca 0.17 -0.19 -0.12 0.00 0.00 0.00 0.00 54.91 54.77 1n63 h ALA 194 Cb 0.13 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 1n63 h ALA 194 CO -0.02 0.50 -0.21 1.15 0.00 0.00 0.00 179.25 180.67 1n63 h THR 195 N 0.72 1.28 0.00 0.00 2.02 -0.58 -2.81 112.91 113.54 1n63 h THR 195 Ca 0.16 -1.35 -0.07 0.00 0.77 0.00 0.00 66.41 65.92 1n63 h THR 195 Cb 0.27 1.26 -0.01 0.00 -1.74 0.00 0.00 68.15 67.94 1n63 h THR 195 CO -0.00 0.46 -0.31 -0.26 0.37 0.00 0.00 175.52 175.77 1n63 h PHE 196 N 0.69 0.00 -0.12 3.16 -1.00 -0.91 -0.75 116.94 118.01 1n63 h PHE 196 Ca 0.09 0.00 -0.13 0.00 2.81 0.00 0.00 57.97 60.74 1n63 h PHE 196 Cb 0.77 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 40.32 1n63 h PHE 196 CO 0.06 0.31 -0.49 0.00 -1.61 0.00 0.00 178.31 176.58 1n63 h ALA 197 N 1.69 0.93 -0.00 2.45 0.00 -0.86 -3.23 119.26 120.24 1n63 h ALA 197 Ca -0.00 -0.47 0.00 0.00 0.00 0.00 0.00 54.91 54.43 1n63 h ALA 197 Cb 0.91 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.61 1n63 h ALA 197 CO 0.04 0.66 -0.54 1.63 0.00 0.00 0.00 179.25 181.04 1n63 n LYS 198 N -3.97 2.45 -1.65 0.00 5.02 -1.08 -5.07 118.16 113.87 1n63 n LYS 198 Ca -0.02 -0.18 -0.34 0.00 -2.02 0.00 0.00 58.31 55.75 1n63 n LYS 198 Cb 0.55 -1.14 0.06 0.00 -0.02 0.00 0.00 35.03 34.48 1n63 n LYS 198 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1n63 s ALA 199 N -2.11 2.33 0.11 7.82 0.00 -0.31 -4.94 121.76 124.67 1n63 s ALA 199 Ca 0.07 0.72 -0.16 0.00 0.00 0.00 0.00 51.96 52.58 1n63 s ALA 199 Cb 0.10 -3.39 -0.05 0.00 0.00 0.00 0.00 23.12 19.78 1n63 s ALA 199 CO 0.49 -1.51 1.53 0.93 0.00 0.00 0.00 175.76 177.21 1n63 h GLU 200 N -0.02 0.61 -4.82 0.00 5.08 -1.90 -3.42 114.58 110.10 1n63 h GLU 200 Ca -0.47 -0.21 -0.54 0.00 -1.00 0.00 0.00 59.36 57.14 1n63 h GLU 200 Cb 1.27 -0.05 -0.33 0.00 0.50 0.00 0.00 28.75 30.15 1n63 h GLU 200 CO 0.52 0.75 -0.82 0.08 -1.00 0.00 0.00 179.01 178.54 1n63 s VAL 201 N -4.92 1.28 -0.09 3.13 1.01 -0.39 -4.94 120.40 115.48 1n63 s VAL 201 Ca -0.13 -0.58 0.02 0.00 0.00 0.00 0.00 61.98 61.29 1n63 s VAL 201 Cb 0.09 -1.13 0.01 0.00 0.00 0.00 0.00 36.38 35.35 1n63 s VAL 201 CO 0.78 0.38 -0.16 -0.69 0.00 0.00 0.00 175.10 175.41 1n63 s VAL 202 N 0.43 1.48 -0.18 2.92 1.01 -1.26 -1.12 120.40 123.67 1n63 s VAL 202 Ca -0.11 -0.66 0.00 0.00 0.00 0.00 0.00 61.98 61.21 1n63 s VAL 202 Cb -0.14 -1.33 0.04 0.00 0.00 0.00 0.00 36.38 34.95 1n63 s VAL 202 CO 0.04 0.43 -0.07 -0.55 0.00 0.00 0.00 175.10 174.95 1n63 s SER 203 N 0.73 3.11 -0.03 3.32 0.15 -0.01 -5.00 113.70 115.98 1n63 s SER 203 Ca -0.12 -0.78 0.04 0.00 0.70 0.00 0.00 55.95 55.78 1n63 s SER 203 Cb -0.16 -1.05 -0.00 0.00 -1.71 0.00 0.00 66.02 63.10 1n63 s SER 203 CO 0.03 -0.17 -0.13 -0.75 1.20 0.00 0.00 173.24 173.42 1n63 s LYS 204 N 1.53 1.24 0.11 5.44 2.20 -1.26 -1.07 119.74 127.93 1n63 s LYS 204 Ca -0.00 -0.45 -0.13 0.00 -0.36 0.00 0.00 55.97 55.03 1n63 s LYS 204 Cb -0.16 -1.14 0.02 0.00 -1.51 0.00 0.00 37.83 35.04 1n63 s LYS 204 CO -0.08 0.20 0.32 -0.51 -0.36 0.00 0.00 175.35 174.93 1n63 s ASP 205 N -0.00 -0.10 -0.37 1.43 1.01 -0.62 -5.00 116.67 113.02 1n63 s ASP 205 Ca -0.01 -0.43 -0.09 0.00 0.71 0.00 0.00 52.55 52.73 1n63 s ASP 205 Cb -0.08 0.42 0.04 0.00 1.01 0.00 0.00 42.92 44.30 1n63 s ASP 205 CO 0.01 -0.80 0.17 -0.32 0.21 0.00 0.00 175.17 174.44 1n63 s MET 206 N -3.77 2.72 -0.27 8.23 1.75 -1.26 -0.59 119.30 126.10 1n63 s MET 206 Ca 0.03 -1.16 -0.11 0.00 -1.25 0.00 0.00 55.69 53.21 1n63 s MET 206 Cb 0.03 -3.64 -0.05 0.00 2.84 0.00 0.00 34.83 34.01 1n63 s MET 206 CO -0.11 -0.72 0.19 -0.06 -0.65 0.00 0.00 175.02 173.67 1n63 s PHE 207 N 1.48 3.23 -0.24 4.11 0.08 0.17 -4.90 117.98 121.93 1n63 s PHE 207 Ca 0.01 0.13 -0.11 0.00 0.12 0.00 0.00 56.93 57.09 1n63 s PHE 207 Cb -0.20 -2.36 -0.05 0.00 -0.57 0.00 0.00 43.02 39.84 1n63 s PHE 207 CO 0.05 -0.13 0.16 0.99 -0.10 0.00 0.00 175.22 176.19 1n63 s THR 208 N 1.66 5.36 -0.54 0.64 2.01 -1.26 -0.66 115.64 122.84 1n63 s THR 208 Ca 0.07 0.19 -0.17 0.00 0.31 0.00 0.00 61.69 62.09 1n63 s THR 208 Cb -0.16 -3.50 0.11 0.00 0.01 0.00 0.00 72.50 68.96 1n63 s THR 208 CO 0.10 0.35 0.54 -0.47 -0.69 0.00 0.00 174.62 174.45 1n63 s TYR 209 N 1.02 3.18 0.70 4.92 6.14 0.11 -4.46 117.35 128.96 1n63 s TYR 209 Ca 0.08 -1.12 -0.14 0.00 0.64 0.00 0.00 57.07 56.53 1n63 s TYR 209 Cb -0.13 -3.75 0.02 0.00 0.42 0.00 0.00 41.96 38.52 1n63 s TYR 209 CO 0.04 -1.05 1.11 -3.38 0.64 0.00 0.00 175.55 172.91 1n63 s HIS 210 N 1.91 2.58 0.14 4.97 -3.43 -1.26 -0.62 115.29 119.58 1n63 s HIS 210 Ca 0.06 1.56 -0.31 0.00 -0.80 0.00 0.00 55.06 55.56 1n63 s HIS 210 Cb -0.27 -3.14 -0.10 0.00 -1.43 0.00 0.00 32.58 27.63 1n63 s HIS 210 CO 0.05 -1.76 1.69 0.50 -2.00 0.00 0.00 174.74 173.21 1n63 s ARG 211 N -4.34 4.17 0.07 -0.38 3.52 -1.26 -3.73 118.95 117.00 1n63 s ARG 211 Ca 0.65 2.46 0.01 0.00 -0.13 0.00 0.00 55.73 58.73 1n63 s ARG 211 Cb -0.20 -3.36 -0.00 0.00 -1.56 0.00 0.00 34.95 29.82 1n63 s ARG 211 CO 0.46 -0.73 0.04 1.33 -0.81 0.00 0.00 175.30 175.60 1n63 n VAL 212 N 4.36 0.00 -3.75 7.11 0.24 -0.46 -1.59 118.33 124.25 1n63 n VAL 212 Ca 0.16 -0.48 -0.13 0.00 -2.04 0.00 0.00 64.34 61.85 1n63 n VAL 212 Cb 0.38 0.21 -0.10 0.00 -1.47 0.00 0.00 33.84 32.86 1n63 n VAL 212 CO 0.00 0.00 0.00 -2.28 -2.14 0.00 0.00 176.83 172.41 1n63 s HIS 213 N -2.08 -0.32 0.02 6.34 2.46 -1.26 -1.00 115.29 119.46 1n63 s HIS 213 Ca 0.06 0.70 0.32 0.00 0.47 0.00 0.00 55.06 56.61 1n63 s HIS 213 Cb 0.00 0.12 1.21 0.00 -0.13 0.00 0.00 32.58 33.79 1n63 s HIS 213 CO 0.04 -0.27 1.93 -1.00 -2.47 0.00 0.00 174.74 172.97 1n63 h PRO 214 N 4.90 0.00 -7.03 2.88 0.13 -1.87 -3.48 132.00 127.53 1n63 h PRO 214 Ca -0.28 0.00 -0.50 0.00 -0.87 0.00 0.00 66.00 64.35 1n63 h PRO 214 Cb 1.18 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.28 1n63 h PRO 214 CO 0.33 0.01 -0.83 0.45 -0.23 0.00 0.00 178.00 177.72 1n63 n SER 215 N -3.10 -2.90 -4.70 1.44 2.88 -1.26 -4.89 113.62 101.09 1n63 n SER 215 Ca 0.01 -1.08 -0.37 0.00 -1.33 0.00 0.00 58.87 56.10 1n63 n SER 215 Cb 0.34 -1.30 0.07 0.00 -0.75 0.00 0.00 64.21 62.58 1n63 n SER 215 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 1n63 n PRO 216 N -4.32 1.01 0.11 -1.46 -0.04 -1.26 -4.90 135.00 124.14 1n63 n PRO 216 Ca -0.11 0.40 0.01 0.00 -0.04 0.00 0.00 63.50 63.76 1n63 n PRO 216 Cb 0.47 -2.45 0.33 0.00 -0.04 0.00 0.00 33.50 31.81 1n63 n PRO 216 CO 0.00 0.00 0.00 1.25 -0.04 0.00 0.00 175.50 176.71 1n63 h LEU 217 N 0.43 0.24 -9.27 1.53 5.85 -1.87 -3.37 115.31 108.86 1n63 h LEU 217 Ca -0.50 -0.07 -0.59 0.00 0.84 0.00 0.00 57.88 57.56 1n63 h LEU 217 Cb 1.34 -0.06 -0.10 0.00 0.37 0.00 0.00 40.66 42.21 1n63 h LEU 217 CO 0.52 0.47 -0.24 -0.70 -0.34 0.00 0.00 178.44 178.15 1n63 s GLU 218 N -4.54 4.26 0.90 1.25 2.12 -0.96 -5.09 118.70 116.64 1n63 s GLU 218 Ca -0.05 0.22 -0.15 0.00 0.36 0.00 0.00 54.97 55.35 1n63 s GLU 218 Cb 0.15 -3.46 0.22 0.00 0.26 0.00 0.00 34.13 31.30 1n63 s GLU 218 CO 0.75 0.14 0.96 0.25 -0.54 0.00 0.00 175.26 176.82 1n63 n THR 219 N 3.81 0.00 -2.88 -1.70 -2.24 -1.26 -4.86 114.28 105.15 1n63 n THR 219 Ca -0.10 -0.56 -0.37 0.00 -2.27 0.00 0.00 64.05 60.76 1n63 n THR 219 Cb 0.52 -1.37 -0.06 0.00 -2.10 0.00 0.00 70.33 67.31 1n63 n THR 219 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1n63 s GLN 221 N -2.00 0.63 0.20 0.00 -2.07 -1.26 -2.49 119.66 112.68 1n63 s GLN 221 Ca 0.47 -0.24 -0.20 0.00 -1.82 0.00 0.00 55.36 53.57 1n63 s GLN 221 Cb -0.18 0.28 0.04 0.00 -1.09 0.00 0.00 33.01 32.06 1n63 s GLN 221 CO 0.23 -0.28 0.59 0.00 -1.32 0.00 0.00 175.29 174.51 1n63 s VAL 223 N -3.84 1.12 -0.09 0.00 1.01 0.05 -0.88 120.40 117.77 1n63 s VAL 223 Ca 0.07 -0.62 -0.11 0.00 0.00 0.00 0.00 61.98 61.32 1n63 s VAL 223 Cb -0.02 -1.28 -0.05 0.00 0.00 0.00 0.00 36.38 35.03 1n63 s VAL 223 CO -0.04 0.14 0.25 0.00 0.00 0.00 0.00 175.10 175.45 1n63 s ALA 224 N 1.63 3.78 -0.30 5.51 0.00 -0.14 -0.94 121.76 131.30 1n63 s ALA 224 Ca 0.01 -0.48 -0.04 0.00 0.00 0.00 0.00 51.96 51.45 1n63 s ALA 224 Cb -0.15 -2.17 0.10 0.00 0.00 0.00 0.00 23.12 20.90 1n63 s ALA 224 CO -0.08 0.49 0.14 0.45 0.00 0.00 0.00 175.76 176.76 1n63 s SER 225 N -0.79 3.45 -0.23 0.00 0.15 0.12 -0.33 113.70 116.07 1n63 s SER 225 Ca 0.18 -1.37 -0.26 0.00 0.70 0.00 0.00 55.95 55.19 1n63 s SER 225 Cb -0.14 -0.34 -0.00 0.00 -1.71 0.00 0.00 66.02 63.83 1n63 s SER 225 CO 0.07 -0.43 0.92 -0.32 1.20 0.00 0.00 173.24 174.68 1n63 s MET 226 N 2.00 4.23 -0.54 5.44 1.75 -1.26 -0.75 119.30 130.18 1n63 s MET 226 Ca 0.10 1.13 -0.21 0.00 -1.25 0.00 0.00 55.69 55.45 1n63 s MET 226 Cb -0.17 -3.63 0.06 0.00 2.84 0.00 0.00 34.83 33.93 1n63 s MET 226 CO -0.33 -0.54 0.76 0.34 -0.65 0.00 0.00 175.02 174.60 1n63 s ASP 227 N 1.26 6.26 0.43 1.11 -1.08 0.39 -4.46 116.67 120.57 1n63 s ASP 227 Ca 0.39 -0.75 0.24 0.00 -0.52 0.00 0.00 52.55 51.91 1n63 s ASP 227 Cb -0.15 -2.35 0.56 0.00 -1.46 0.00 0.00 42.92 39.51 1n63 s ASP 227 CO 0.08 -1.05 1.68 0.11 0.52 0.00 0.00 175.17 176.50 1n63 h LYS 228 N 9.15 0.00 -0.36 4.34 1.57 -1.85 0.18 116.57 129.60 1n63 h LYS 228 Ca -0.27 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.48 1n63 h LYS 228 Cb 1.09 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.38 1n63 h LYS 228 CO 1.03 0.11 0.12 0.82 -0.57 0.00 0.00 179.45 180.96 1n63 h ILE 229 N 0.00 1.21 0.00 1.86 2.04 -1.96 -3.34 117.51 117.31 1n63 h ILE 229 Ca -0.00 -0.68 0.00 0.00 1.00 0.00 0.00 64.86 65.18 1n63 h ILE 229 Cb 0.94 0.97 0.00 0.00 -0.74 0.00 0.00 36.82 37.99 1n63 h ILE 229 CO 0.01 0.24 -1.26 0.29 0.00 0.00 0.00 178.15 177.43 1n63 n LYS 230 N -4.64 0.43 -2.24 2.37 5.02 -1.09 -4.98 118.16 113.03 1n63 n LYS 230 Ca -0.01 -0.02 -0.07 0.00 -2.02 0.00 0.00 58.31 56.19 1n63 n LYS 230 Cb 0.17 -1.62 0.00 0.00 -0.02 0.00 0.00 35.03 33.56 1n63 n LYS 230 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1n63 n GLY 231 N 1.31 0.17 3.08 0.72 0.00 0.61 -5.03 105.19 106.05 1n63 n GLY 231 Ca 0.00 -0.58 -0.25 0.00 0.00 0.00 0.00 46.02 45.19 1n63 n GLY 231 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1n63 s GLU 232 N -4.50 1.76 -0.20 1.61 2.02 -1.07 -4.93 118.70 113.39 1n63 s GLU 232 Ca 0.03 -0.51 -0.10 0.00 0.02 0.00 0.00 54.97 54.41 1n63 s GLU 232 Cb -0.01 -1.48 -0.05 0.00 0.10 0.00 0.00 34.13 32.69 1n63 s GLU 232 CO 0.04 0.13 0.13 -1.17 0.02 0.00 0.00 175.26 174.40 1n63 s LEU 233 N 0.35 4.18 -0.10 1.80 2.96 -0.24 -0.46 118.68 127.17 1n63 s LEU 233 Ca -0.10 0.21 -0.01 0.00 -0.22 0.00 0.00 54.13 54.01 1n63 s LEU 233 Cb -0.14 -2.08 -0.03 0.00 0.50 0.00 0.00 46.19 44.44 1n63 s LEU 233 CO 0.03 0.17 -0.04 -0.89 -1.32 0.00 0.00 176.35 174.31 1n63 s THR 234 N 0.42 3.96 -0.26 3.68 2.01 0.07 -0.35 115.64 125.16 1n63 s THR 234 Ca 0.08 -0.37 -0.02 0.00 0.31 0.00 0.00 61.69 61.69 1n63 s THR 234 Cb -0.11 -2.67 0.09 0.00 0.01 0.00 0.00 72.50 69.81 1n63 s THR 234 CO -0.01 0.57 0.08 -0.22 -0.69 0.00 0.00 174.62 174.35 1n63 s LEU 235 N -0.46 1.40 0.17 4.42 2.96 -0.24 0.11 118.68 127.04 1n63 s LEU 235 Ca 0.07 -1.24 -0.26 0.00 -0.22 0.00 0.00 54.13 52.48 1n63 s LEU 235 Cb -0.12 -0.63 -0.08 0.00 0.50 0.00 0.00 46.19 45.86 1n63 s LEU 235 CO 0.02 -0.38 0.81 0.26 -1.32 0.00 0.00 176.35 175.74 1n63 s TRP 236 N 1.84 3.91 -0.00 5.38 0.51 -0.11 -0.80 118.94 129.65 1n63 s TRP 236 Ca 0.06 1.68 -0.30 0.00 -2.12 0.00 0.00 56.10 55.42 1n63 s TRP 236 Cb -0.17 -2.82 0.11 0.00 -0.81 0.00 0.00 33.47 29.78 1n63 s TRP 236 CO -0.22 0.48 1.16 0.20 -0.51 0.00 0.00 176.95 178.06 1n63 s GLY 237 N -1.04 -0.35 -1.22 0.98 0.00 -0.67 -0.77 107.32 104.25 1n63 s GLY 237 Ca 0.37 0.74 -0.18 0.00 0.00 0.00 0.00 44.72 45.65 1n63 s GLY 237 CO 0.27 0.18 1.61 -0.51 0.00 0.00 0.00 173.10 174.65 1n63 s THR 238 N -2.69 4.28 -0.19 0.90 -4.23 -0.74 -4.27 115.64 108.70 1n63 s THR 238 Ca 0.12 -1.83 0.01 0.00 -1.18 0.00 0.00 61.69 58.81 1n63 s THR 238 Cb 0.02 -5.10 0.03 0.00 1.34 0.00 0.00 72.50 68.78 1n63 s THR 238 CO -0.03 -1.92 -0.17 -0.36 -0.54 0.00 0.00 174.62 171.60 1n63 s PHE 239 N 3.81 2.74 0.11 3.99 0.08 -1.26 -4.76 117.98 122.70 1n63 s PHE 239 Ca 0.50 -1.68 0.22 0.00 0.12 0.00 0.00 56.93 56.09 1n63 s PHE 239 Cb 0.02 -1.86 0.80 0.00 -0.57 0.00 0.00 43.02 41.41 1n63 s PHE 239 CO 0.03 -0.80 1.78 1.96 -0.10 0.00 0.00 175.22 178.09 1n63 h GLN 240 N 7.94 0.00 -2.38 0.44 4.20 -1.43 -3.36 115.11 120.50 1n63 h GLN 240 Ca -0.40 0.00 -0.59 0.00 0.06 0.00 0.00 58.65 57.72 1n63 h GLN 240 Cb 1.12 0.00 -0.40 0.00 0.30 0.00 0.00 27.48 28.51 1n63 h GLN 240 CO 0.59 0.27 -0.88 0.00 -0.67 0.00 0.00 178.83 178.15 1n63 n ALA 241 N -2.24 3.03 -0.11 3.87 0.00 -1.26 -1.28 120.51 122.52 1n63 n ALA 241 Ca 0.00 -3.71 -0.07 0.00 0.00 0.00 0.00 53.44 49.66 1n63 n ALA 241 Cb 0.47 -0.84 0.10 0.00 0.00 0.00 0.00 19.45 19.17 1n63 n ALA 241 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 1n63 h PRO 242 N 4.93 0.83 -0.53 0.00 0.13 -1.91 -1.60 132.00 133.84 1n63 h PRO 242 Ca 0.18 -0.29 -0.04 0.00 -0.87 0.00 0.00 66.00 64.98 1n63 h PRO 242 Cb 0.83 -0.06 -0.02 0.00 0.13 0.00 0.00 31.00 31.88 1n63 h PRO 242 CO 0.53 0.91 0.18 0.45 -0.23 0.00 0.00 178.00 179.84 1n63 h HIS 243 N 0.75 0.84 -0.60 1.56 3.86 -1.91 -0.64 115.15 119.01 1n63 h HIS 243 Ca 0.12 -0.08 0.07 0.00 -1.16 0.00 0.00 60.37 59.32 1n63 h HIS 243 Cb 0.63 -0.25 -0.06 0.00 1.06 0.00 0.00 27.41 28.80 1n63 h HIS 243 CO 0.03 0.72 0.29 0.28 0.86 0.00 0.00 177.93 180.11 1n63 h VAL 244 N 0.73 0.90 -0.93 2.45 2.07 -1.67 -1.62 116.25 118.17 1n63 h VAL 244 Ca 0.17 -0.18 -0.01 0.00 0.82 0.00 0.00 66.70 67.50 1n63 h VAL 244 Cb 0.26 0.32 -0.04 0.00 -1.52 0.00 0.00 31.29 30.30 1n63 h VAL 244 CO -0.01 0.10 0.55 0.40 0.02 0.00 0.00 177.57 178.63 1n63 h ILE 245 N 0.53 1.26 -0.10 4.57 1.08 -0.99 -0.33 117.51 123.54 1n63 h ILE 245 Ca 0.28 -0.57 0.02 0.00 -0.39 0.00 0.00 64.86 64.20 1n63 h ILE 245 Cb 0.24 -0.05 -0.02 0.00 -3.07 0.00 0.00 36.82 33.92 1n63 h ILE 245 CO -0.21 0.27 -0.02 -0.09 -0.69 0.00 0.00 178.15 177.41 1n63 h ARG 246 N 1.28 0.01 -0.45 2.37 2.43 -0.70 0.17 114.38 119.50 1n63 h ARG 246 Ca 0.33 -0.00 -0.10 0.00 -0.81 0.00 0.00 59.98 59.40 1n63 h ARG 246 Cb -0.05 -0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 29.49 1n63 h ARG 246 CO -0.06 0.00 -0.13 1.15 -1.51 0.00 0.00 179.97 179.42 1n63 h THR 247 N 0.01 1.26 -0.32 0.20 2.02 -0.86 0.11 112.91 115.33 1n63 h THR 247 Ca 0.05 -1.23 -0.02 0.00 0.77 0.00 0.00 66.41 65.98 1n63 h THR 247 Cb 0.07 1.06 -0.01 0.00 -1.74 0.00 0.00 68.15 67.53 1n63 h THR 247 CO -0.10 0.42 0.14 0.58 0.37 0.00 0.00 175.52 176.93 1n63 h VAL 248 N 0.74 1.17 -0.20 3.16 2.07 -0.72 -1.58 116.25 120.91 1n63 h VAL 248 Ca 0.12 -0.52 -0.08 0.00 0.82 0.00 0.00 66.70 67.04 1n63 h VAL 248 Cb 0.64 0.92 -0.01 0.00 -1.52 0.00 0.00 31.29 31.32 1n63 h VAL 248 CO 0.04 0.18 -0.22 0.58 0.02 0.00 0.00 177.57 178.18 1n63 h VAL 249 N 0.37 1.24 -0.36 2.57 2.07 -0.42 -1.75 116.25 119.97 1n63 h VAL 249 Ca 0.11 -1.11 -0.04 0.00 0.82 0.00 0.00 66.70 66.48 1n63 h VAL 249 Cb 0.16 1.33 -0.01 0.00 -1.52 0.00 0.00 31.29 31.25 1n63 h VAL 249 CO -0.01 0.35 0.09 -1.28 0.02 0.00 0.00 177.57 176.74 1n63 h SER 250 N 0.32 0.55 -0.04 0.57 0.87 -0.67 -0.19 113.55 114.97 1n63 h SER 250 Ca 0.05 -0.23 -0.08 0.00 -1.23 0.00 0.00 61.79 60.31 1n63 h SER 250 Cb 0.56 -0.15 -0.01 0.00 -0.44 0.00 0.00 62.40 62.36 1n63 h SER 250 CO 0.04 0.64 -0.19 -0.07 -0.53 0.00 0.00 176.83 176.72 1n63 h LEU 251 N 0.44 0.39 0.00 2.23 3.38 -0.75 -0.75 115.31 120.26 1n63 h LEU 251 Ca 0.11 -0.11 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1n63 h LEU 251 Cb 0.30 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 40.94 1n63 h LEU 251 CO 0.00 0.60 -1.33 2.30 0.09 0.00 0.00 178.44 180.10 1n63 n ILE 252 N -4.18 0.18 -0.02 1.22 -5.35 -0.71 -4.09 119.36 106.41 1n63 n ILE 252 Ca -0.00 -0.36 0.08 0.00 -0.27 0.00 0.00 62.75 62.20 1n63 n ILE 252 Cb 0.35 0.11 -0.16 0.00 -1.74 0.00 0.00 39.64 38.20 1n63 n ILE 252 CO 0.00 0.00 0.00 -1.54 -1.76 0.00 0.00 176.55 173.25 1n63 n SER 253 N -2.15 0.38 0.00 7.28 3.41 -0.09 -4.97 113.62 117.48 1n63 n SER 253 Ca -0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 1n63 n SER 253 Cb 0.49 1.82 0.00 0.00 -0.26 0.00 0.00 64.21 66.26 1n63 n SER 253 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1n63 n GLY 254 N 1.41 0.40 3.78 5.00 0.00 -0.29 -5.02 105.19 110.47 1n63 n GLY 254 Ca -0.07 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.59 1n63 n GLY 254 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1n63 s LEU 255 N 0.00 4.27 0.52 0.99 1.43 -1.25 -5.02 118.68 119.62 1n63 s LEU 255 Ca 0.00 1.85 -0.17 0.00 -1.03 0.00 0.00 54.13 54.79 1n63 s LEU 255 Cb 0.00 -4.09 -0.08 0.00 0.03 0.00 0.00 46.19 42.05 1n63 s LEU 255 CO 0.00 -0.16 0.99 -2.16 0.23 0.00 0.00 176.35 175.26 1n63 s PRO 256 N -2.23 3.89 0.47 1.29 0.04 -1.26 -4.40 135.00 132.80 1n63 s PRO 256 Ca 0.52 0.99 0.14 0.00 0.04 0.00 0.00 61.00 62.70 1n63 s PRO 256 Cb -0.18 -2.13 1.09 0.00 0.04 0.00 0.00 34.50 33.32 1n63 s PRO 256 CO 0.23 -0.32 2.06 0.93 0.04 0.00 0.00 177.00 179.94 1n63 h GLU 257 N 0.91 0.07 0.00 4.56 5.08 -1.92 -0.96 114.58 122.33 1n63 h GLU 257 Ca -0.47 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 57.88 1n63 h GLU 257 Cb 1.19 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.42 1n63 h GLU 257 CO 0.61 0.14 0.00 -2.39 -1.00 0.00 0.00 179.01 176.37 1n63 n HIS 258 N -4.43 0.00 -0.35 4.33 1.44 -1.26 -2.35 115.22 112.60 1n63 n HIS 258 Ca -0.02 0.00 0.06 0.00 -2.01 0.00 0.00 57.72 55.75 1n63 n HIS 258 Cb 0.16 -0.30 0.16 0.00 0.12 0.00 0.00 29.99 30.13 1n63 n HIS 258 CO 0.00 0.00 0.00 1.63 -2.81 0.00 0.00 176.34 175.16 1n63 n LYS 259 N -1.30 2.87 -4.03 -1.40 5.02 -0.37 -4.88 118.16 114.06 1n63 n LYS 259 Ca 0.11 -2.18 -0.31 0.00 -2.02 0.00 0.00 58.31 53.91 1n63 n LYS 259 Cb 0.20 -1.37 -0.15 0.00 -0.02 0.00 0.00 35.03 33.68 1n63 n LYS 259 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 1n63 s ILE 260 N -1.42 1.90 -0.62 -0.18 1.01 -0.99 -1.08 121.20 119.82 1n63 s ILE 260 Ca 0.25 -1.30 -0.09 0.00 0.00 0.00 0.00 60.65 59.52 1n63 s ILE 260 Cb 0.16 -1.98 0.16 0.00 0.01 0.00 0.00 42.46 40.81 1n63 s ILE 260 CO 0.13 0.09 0.50 -1.00 0.00 0.00 0.00 174.94 174.65 1n63 s HIS 261 N 1.26 3.51 0.03 3.97 3.76 0.53 -4.86 115.29 123.50 1n63 s HIS 261 Ca -0.04 -2.16 -0.23 0.00 -0.15 0.00 0.00 55.06 52.48 1n63 s HIS 261 Cb -0.18 -3.51 -0.06 0.00 1.11 0.00 0.00 32.58 29.95 1n63 s HIS 261 CO -0.07 -0.95 0.69 0.08 -0.85 0.00 0.00 174.74 173.65 1n63 s VAL 262 N 0.57 4.79 -0.21 -0.90 1.01 -1.26 -1.08 120.40 123.32 1n63 s VAL 262 Ca 0.13 1.47 -0.01 0.00 0.00 0.00 0.00 61.98 63.57 1n63 s VAL 262 Cb -0.20 -4.04 0.06 0.00 0.00 0.00 0.00 36.38 32.20 1n63 s VAL 262 CO -0.04 0.39 -0.01 -0.63 0.00 0.00 0.00 175.10 174.81 1n63 s ILE 263 N -0.16 1.05 -0.42 2.22 1.01 0.01 -1.37 121.20 123.54 1n63 s ILE 263 Ca 0.35 -0.90 -0.19 0.00 0.00 0.00 0.00 60.65 59.91 1n63 s ILE 263 Cb -0.20 -1.43 0.02 0.00 0.01 0.00 0.00 42.46 40.87 1n63 s ILE 263 CO 0.21 -0.15 0.54 0.00 0.00 0.00 0.00 174.94 175.54 1n63 s ALA 264 N 1.62 3.39 0.07 9.38 0.00 0.10 -1.67 121.76 134.65 1n63 s ALA 264 Ca -0.03 -1.33 0.00 0.00 0.00 0.00 0.00 51.96 50.60 1n63 s ALA 264 Cb -0.18 -3.17 0.00 0.00 0.00 0.00 0.00 23.12 19.78 1n63 s ALA 264 CO -0.07 -1.65 0.00 -0.35 0.00 0.00 0.00 175.76 173.69 1n63 n PRO 265 N 5.92 3.54 -2.44 0.00 -0.04 -1.26 -4.53 135.00 136.19 1n63 n PRO 265 Ca -0.04 0.00 -0.40 0.00 -0.04 0.00 0.00 63.50 63.01 1n63 n PRO 265 Cb 0.48 0.00 -0.04 0.00 -0.04 0.00 0.00 33.50 33.90 1n63 n PRO 265 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1n63 s ASP 266 N -1.00 7.22 -0.12 3.54 1.01 0.18 -5.01 116.67 122.50 1n63 s ASP 266 Ca 0.00 2.29 0.03 0.00 0.71 0.00 0.00 52.55 55.58 1n63 s ASP 266 Cb 0.00 -2.63 0.01 0.00 1.01 0.00 0.00 42.92 41.31 1n63 s ASP 266 CO 0.00 -0.19 -0.22 -0.63 0.21 0.00 0.00 175.17 174.35 1n63 s ILE 267 N -1.06 1.94 -1.27 0.77 1.01 -1.26 -4.13 121.20 117.20 1n63 s ILE 267 Ca 0.45 -0.93 -0.08 0.00 0.00 0.00 0.00 60.65 60.09 1n63 s ILE 267 Cb -0.32 -1.71 -0.06 0.00 0.01 0.00 0.00 42.46 40.38 1n63 s ILE 267 CO 0.41 0.53 2.91 0.61 0.00 0.00 0.00 174.94 179.40 1n63 n GLY 268 N 3.84 4.32 0.00 6.18 0.00 -1.26 -4.41 105.19 113.86 1n63 n GLY 268 Ca -0.20 -1.61 0.00 0.00 0.00 0.00 0.00 46.02 44.21 1n63 n GLY 268 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1n63 n GLY 269 N 2.84 -1.39 1.42 -0.02 0.00 -1.19 -2.27 105.19 104.59 1n63 n GLY 269 Ca 0.69 -1.37 0.00 0.00 0.00 0.00 0.00 46.02 45.34 1n63 n GLY 269 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1n63 n GLY 270 N -0.32 -0.10 3.19 -0.02 0.00 -1.26 -4.73 105.19 101.95 1n63 n GLY 270 Ca 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.80 1n63 n GLY 270 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1n63 n PHE 271 N -3.25 -1.80 0.00 1.61 3.72 -1.26 -1.10 117.46 115.38 1n63 n PHE 271 Ca 0.00 0.44 0.00 0.00 -0.05 0.00 0.00 57.45 57.84 1n63 n PHE 271 Cb 0.11 -3.30 0.00 0.00 -0.94 0.00 0.00 39.48 35.34 1n63 n PHE 271 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1n63 n GLY 272 N -1.22 1.83 0.27 1.37 0.00 -1.26 -0.16 105.19 106.02 1n63 n GLY 272 Ca -0.05 0.00 0.16 0.00 0.00 0.00 0.00 46.02 46.13 1n63 n GLY 272 CO 0.00 0.00 0.00 -0.57 0.00 0.00 0.00 173.32 172.75 1n63 h ASN 273 N 0.00 0.00 -0.07 1.61 -1.24 -1.46 -3.30 115.58 111.13 1n63 h ASN 273 Ca 0.00 0.00 -0.03 0.00 0.71 0.00 0.00 56.30 56.98 1n63 h ASN 273 Cb 0.00 0.00 -0.02 0.00 0.73 0.00 0.00 38.32 39.03 1n63 h ASN 273 CO 0.00 0.07 -0.42 0.29 -1.29 0.00 0.00 177.43 176.08 1n63 n LYS 274 N -3.28 1.63 -0.08 6.67 5.02 -1.26 -4.65 118.16 122.21 1n63 n LYS 274 Ca -0.01 -3.29 -0.16 0.00 -2.02 0.00 0.00 58.31 52.84 1n63 n LYS 274 Cb 0.27 -1.66 -0.11 0.00 -0.02 0.00 0.00 35.03 33.52 1n63 n LYS 274 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 1n63 h VAL 275 N 1.00 1.17 -3.14 -0.18 2.07 -1.87 -0.84 116.25 114.46 1n63 h VAL 275 Ca 0.04 -2.10 -0.46 0.00 0.82 0.00 0.00 66.70 65.01 1n63 h VAL 275 Cb 1.12 2.43 0.13 0.00 -1.52 0.00 0.00 31.29 33.46 1n63 h VAL 275 CO 0.07 0.40 0.29 -0.83 0.02 0.00 0.00 177.57 177.52 1n63 s GLY 276 N -4.46 1.78 0.09 2.17 0.00 -1.26 -4.63 107.32 101.01 1n63 s GLY 276 Ca -0.22 -1.48 -0.10 0.00 0.00 0.00 0.00 44.72 42.92 1n63 s GLY 276 CO 0.57 -0.78 0.42 0.00 0.00 0.00 0.00 173.10 173.31 1n63 s ALA 277 N -3.59 3.71 0.26 3.20 0.00 -1.26 -5.03 121.76 119.05 1n63 s ALA 277 Ca 0.72 -0.36 0.10 0.00 0.00 0.00 0.00 51.96 52.42 1n63 s ALA 277 Cb -0.04 -2.29 -0.05 0.00 0.00 0.00 0.00 23.12 20.74 1n63 s ALA 277 CO 0.50 0.56 -0.10 0.71 0.00 0.00 0.00 175.76 177.42 1n63 s TYR 278 N -1.43 2.52 0.29 0.00 2.02 -1.26 -5.03 117.35 114.45 1n63 s TYR 278 Ca 0.34 -0.27 0.02 0.00 -0.37 0.00 0.00 57.07 56.79 1n63 s TYR 278 Cb -0.14 -1.12 0.70 0.00 -0.40 0.00 0.00 41.96 41.00 1n63 s TYR 278 CO 0.19 0.64 1.66 1.03 -1.57 0.00 0.00 175.55 177.50 1n63 h SER 279 N 2.21 0.08 -0.80 2.29 0.87 -1.90 -1.04 113.55 115.27 1n63 h SER 279 Ca -0.43 0.18 0.14 0.00 -1.23 0.00 0.00 61.79 60.45 1n63 h SER 279 Cb 1.25 0.23 -0.09 0.00 -0.44 0.00 0.00 62.40 63.34 1n63 h SER 279 CO 0.59 -0.11 0.38 1.23 -0.53 0.00 0.00 176.83 178.38 1n63 h GLY 280 N 0.25 1.26 0.88 5.77 0.00 -1.96 0.63 103.07 109.92 1n63 h GLY 280 Ca 0.55 -0.21 -0.03 0.00 0.00 0.00 0.00 47.33 47.63 1n63 h GLY 280 CO -0.62 -0.05 0.05 -0.97 0.00 0.00 0.00 176.54 174.96 1n63 h TYR 281 N 0.55 0.50 -0.34 5.60 0.05 -1.60 -0.88 116.97 120.86 1n63 h TYR 281 Ca 0.43 -0.07 -0.01 0.00 0.05 0.00 0.00 58.73 59.13 1n63 h TYR 281 Cb 0.62 -0.14 -0.02 0.00 1.01 0.00 0.00 36.73 38.20 1n63 h TYR 281 CO -0.12 0.56 0.16 0.28 -1.05 0.00 0.00 178.16 177.99 1n63 h VAL 282 N 0.30 1.17 -0.55 -2.88 2.07 -1.31 -1.44 116.25 113.61 1n63 h VAL 282 Ca 0.09 -0.48 -0.11 0.00 0.82 0.00 0.00 66.70 67.02 1n63 h VAL 282 Cb 0.32 0.86 -0.02 0.00 -1.52 0.00 0.00 31.29 30.93 1n63 h VAL 282 CO 0.00 0.18 -0.09 0.00 0.02 0.00 0.00 177.57 177.68 1n63 h ALA 284 N 0.93 1.24 -0.24 0.00 0.00 -1.04 -0.23 119.26 119.92 1n63 h ALA 284 Ca 0.14 -0.19 -0.05 0.00 0.00 0.00 0.00 54.91 54.81 1n63 h ALA 284 Cb 0.66 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 1n63 h ALA 284 CO 0.05 0.53 -0.05 0.28 0.00 0.00 0.00 179.25 180.06 1n63 h VAL 285 N 0.80 1.28 -0.39 0.00 2.07 -0.88 -0.94 116.25 118.18 1n63 h VAL 285 Ca 0.18 -1.03 -0.01 0.00 0.82 0.00 0.00 66.70 66.66 1n63 h VAL 285 Cb 0.26 1.47 -0.02 0.00 -1.52 0.00 0.00 31.29 31.48 1n63 h VAL 285 CO -0.01 0.32 0.20 0.58 0.02 0.00 0.00 177.57 178.69 1n63 h VAL 286 N 0.20 1.16 -0.96 2.57 2.07 -0.74 -0.33 116.25 120.22 1n63 h VAL 286 Ca 0.06 -0.42 0.03 0.00 0.82 0.00 0.00 66.70 67.19 1n63 h VAL 286 Cb 0.50 0.72 -0.05 0.00 -1.52 0.00 0.00 31.29 30.94 1n63 h VAL 286 CO 0.02 0.16 0.63 0.00 0.02 0.00 0.00 177.57 178.40 1n63 h ALA 287 N 1.06 1.24 -0.31 1.67 0.00 -0.98 -0.02 119.26 121.92 1n63 h ALA 287 Ca 0.14 -0.05 -0.13 0.00 0.00 0.00 0.00 54.91 54.86 1n63 h ALA 287 Cb 0.08 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 17.50 1n63 h ALA 287 CO -0.02 0.54 -0.35 1.03 0.00 0.00 0.00 179.25 180.45 1n63 h SER 288 N 1.24 0.73 -0.67 0.00 0.87 -0.65 0.73 113.55 115.80 1n63 h SER 288 Ca 0.37 -0.31 -0.05 0.00 -1.23 0.00 0.00 61.79 60.57 1n63 h SER 288 Cb -0.06 -0.20 -0.03 0.00 -0.44 0.00 0.00 62.40 61.67 1n63 h SER 288 CO -0.10 1.01 0.22 0.40 -0.53 0.00 0.00 176.83 177.83 1n63 h ILE 289 N 0.58 1.25 -0.24 2.23 2.04 -0.41 0.28 117.51 123.24 1n63 h ILE 289 Ca 0.06 -0.85 -0.18 0.00 1.00 0.00 0.00 64.86 64.89 1n63 h ILE 289 Cb 0.87 0.54 0.00 0.00 -0.74 0.00 0.00 36.82 37.49 1n63 h ILE 289 CO 0.08 0.33 -0.55 0.58 0.00 0.00 0.00 178.15 178.59 1n63 h VAL 290 N 0.97 1.29 0.00 1.67 2.07 -0.70 -3.31 116.25 118.24 1n63 h VAL 290 Ca 0.22 -1.75 -0.11 0.00 0.82 0.00 0.00 66.70 65.88 1n63 h VAL 290 Cb 0.28 1.76 -0.02 0.00 -1.52 0.00 0.00 31.29 31.79 1n63 h VAL 290 CO -0.01 0.56 -1.44 0.18 0.02 0.00 0.00 177.57 176.88 1n63 n LEU 291 N -4.06 0.68 -0.39 2.57 4.77 0.22 -4.97 117.00 115.82 1n63 n LEU 291 Ca -0.05 0.29 -0.05 0.00 -0.03 0.00 0.00 56.01 56.16 1n63 n LEU 291 Cb 0.63 0.06 -0.02 0.00 -2.33 0.00 0.00 43.42 41.75 1n63 n LEU 291 CO 0.50 0.05 -0.05 0.61 -1.33 0.00 0.00 177.39 177.17 1n63 n GLY 292 N 1.34 0.70 3.25 -0.72 0.00 0.96 -5.02 105.19 105.71 1n63 n GLY 292 Ca -0.08 -0.83 -0.14 0.00 0.00 0.00 0.00 46.02 44.97 1n63 n GLY 292 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1n63 s VAL 293 N -2.19 0.63 0.56 1.61 -7.23 -1.24 -4.74 120.40 107.80 1n63 s VAL 293 Ca 0.00 -1.98 -0.18 0.00 -1.81 0.00 0.00 61.98 58.01 1n63 s VAL 293 Cb 0.00 -2.23 -0.05 0.00 0.56 0.00 0.00 36.38 34.66 1n63 s VAL 293 CO 0.00 -0.37 1.07 -2.84 -0.31 0.00 0.00 175.10 172.64 1n63 s PRO 294 N -3.95 3.43 -0.09 4.82 0.02 -1.26 -4.46 135.00 133.52 1n63 s PRO 294 Ca 0.27 1.33 -0.02 0.00 0.02 0.00 0.00 61.00 62.59 1n63 s PRO 294 Cb 0.06 -2.04 0.04 0.00 0.02 0.00 0.00 34.50 32.58 1n63 s PRO 294 CO 0.06 -0.73 0.03 0.08 -0.33 0.00 0.00 177.00 176.11 1n63 s VAL 295 N -2.20 0.19 -0.03 3.83 1.01 0.55 -0.57 120.40 123.18 1n63 s VAL 295 Ca 0.66 0.09 -0.13 0.00 0.00 0.00 0.00 61.98 62.60 1n63 s VAL 295 Cb -0.18 -0.48 -0.05 0.00 0.00 0.00 0.00 36.38 35.67 1n63 s VAL 295 CO 0.31 0.11 0.36 -0.75 0.00 0.00 0.00 175.10 175.13 1n63 s LYS 296 N 2.04 3.86 -0.08 2.72 2.20 0.14 -0.97 119.74 129.65 1n63 s LYS 296 Ca 0.04 0.32 -0.00 0.00 -0.36 0.00 0.00 55.97 55.96 1n63 s LYS 296 Cb -0.13 -3.23 0.02 0.00 -1.51 0.00 0.00 37.83 32.99 1n63 s LYS 296 CO -0.05 0.68 -0.04 -0.46 -0.36 0.00 0.00 175.35 175.12 1n63 s TRP 297 N -1.00 1.05 -0.10 4.03 -0.00 -0.05 -0.49 118.94 122.38 1n63 s TRP 297 Ca 0.22 -0.42 -0.01 0.00 -0.00 0.00 0.00 56.10 55.90 1n63 s TRP 297 Cb -0.16 -0.96 0.03 0.00 -0.00 0.00 0.00 33.47 32.38 1n63 s TRP 297 CO 0.12 -0.37 -0.04 0.08 -0.00 0.00 0.00 176.95 176.73 1n63 s VAL 298 N 1.60 0.75 0.39 5.86 1.01 -1.26 -1.09 120.40 127.65 1n63 s VAL 298 Ca 0.01 -0.12 -0.13 0.00 0.00 0.00 0.00 61.98 61.74 1n63 s VAL 298 Cb -0.13 -0.83 -0.07 0.00 0.00 0.00 0.00 36.38 35.35 1n63 s VAL 298 CO -0.05 0.31 0.79 -1.83 0.00 0.00 0.00 175.10 174.32 1n63 s GLU 299 N 1.82 3.87 0.69 2.72 -1.05 -1.04 -5.03 118.70 120.69 1n63 s GLU 299 Ca 0.05 0.59 -0.10 0.00 -0.15 0.00 0.00 54.97 55.36 1n63 s GLU 299 Cb -0.12 -2.37 0.02 0.00 -0.44 0.00 0.00 34.13 31.22 1n63 s GLU 299 CO -0.07 -0.01 1.06 -0.51 0.95 0.00 0.00 175.26 176.68 1n63 s ASP 300 N -2.87 5.35 0.18 0.83 1.01 -1.26 -4.76 116.67 115.14 1n63 s ASP 300 Ca 0.53 0.96 -0.13 0.00 0.71 0.00 0.00 52.55 54.63 1n63 s ASP 300 Cb -0.10 -1.77 0.15 0.00 1.01 0.00 0.00 42.92 42.22 1n63 s ASP 300 CO 0.27 -1.35 1.78 -0.09 0.21 0.00 0.00 175.17 175.99 1n63 h ARG 301 N -0.58 0.49 -0.67 8.23 9.65 -1.98 -0.28 114.38 129.24 1n63 h ARG 301 Ca -0.45 -0.03 -0.00 0.00 -1.10 0.00 0.00 59.98 58.40 1n63 h ARG 301 Cb 1.27 -0.11 -0.03 0.00 -1.39 0.00 0.00 29.97 29.70 1n63 h ARG 301 CO 0.63 0.32 0.41 0.52 2.80 0.00 0.00 179.97 184.65 1n63 h MET 302 N 0.50 0.90 -0.16 0.20 2.86 -1.95 -0.03 114.93 117.25 1n63 h MET 302 Ca 0.23 -0.07 -0.14 0.00 -2.06 0.00 0.00 59.70 57.66 1n63 h MET 302 Cb 0.16 -0.19 -0.01 0.00 0.06 0.00 0.00 31.60 31.61 1n63 h MET 302 CO -0.17 0.63 -0.50 0.93 1.06 0.00 0.00 176.91 178.86 1n63 h GLU 303 N 0.92 0.44 -0.40 1.72 3.07 -1.76 -2.12 114.58 116.45 1n63 h GLU 303 Ca 0.24 -0.26 -0.06 0.00 -0.50 0.00 0.00 59.36 58.79 1n63 h GLU 303 Cb -0.05 0.02 -0.01 0.00 -0.84 0.00 0.00 28.75 27.87 1n63 h GLU 303 CO -0.05 0.84 0.02 -0.97 -1.40 0.00 0.00 179.01 177.45 1n63 h ASN 304 N 0.35 0.67 0.65 1.42 -1.24 0.08 -0.40 115.58 117.10 1n63 h ASN 304 Ca 0.02 -0.29 -0.15 0.00 0.71 0.00 0.00 56.30 56.58 1n63 h ASN 304 Cb 1.00 -0.18 -0.02 0.00 0.73 0.00 0.00 38.32 39.85 1n63 h ASN 304 CO 0.09 0.80 -0.71 -0.07 -1.29 0.00 0.00 177.43 176.25 1n63 h LEU 305 N 0.52 0.06 0.00 0.34 3.38 -0.92 -2.88 115.31 115.81 1n63 h LEU 305 Ca 0.12 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.04 1n63 h LEU 305 Cb 0.44 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.17 1n63 h LEU 305 CO 0.02 0.75 -1.04 -1.54 0.09 0.00 0.00 178.44 176.71 1n63 n SER 306 N -3.72 0.71 0.00 -0.43 3.41 -0.81 -4.64 113.62 108.15 1n63 n SER 306 Ca -0.01 -0.57 0.00 0.00 -0.26 0.00 0.00 58.87 58.03 1n63 n SER 306 Cb 0.69 0.94 0.00 0.00 -0.26 0.00 0.00 64.21 65.58 1n63 n SER 306 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 1n63 n THR 307 N -1.71 0.00 -4.35 6.66 -2.24 -0.18 -4.56 114.28 107.91 1n63 n THR 307 Ca 0.03 -0.16 -0.28 0.00 -2.27 0.00 0.00 64.05 61.37 1n63 n THR 307 Cb 0.39 1.62 -0.07 0.00 -2.10 0.00 0.00 70.33 70.16 1n63 n THR 307 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 1n63 s THR 308 N -0.03 1.78 -0.36 4.28 -4.23 -1.09 -4.77 115.64 111.22 1n63 s THR 308 Ca 0.00 -1.79 -0.39 0.00 -1.18 0.00 0.00 61.69 58.33 1n63 s THR 308 Cb 0.00 -2.57 -0.14 0.00 1.34 0.00 0.00 72.50 71.13 1n63 s THR 308 CO 0.00 0.00 2.02 -1.54 -0.54 0.00 0.00 174.62 174.56 1n63 n SER 309 N -1.31 1.94 -4.76 3.99 3.41 -1.26 -4.81 113.62 110.82 1n63 n SER 309 Ca -0.07 0.70 -0.29 0.00 -0.26 0.00 0.00 58.87 58.95 1n63 n SER 309 Cb 0.66 -1.14 0.15 0.00 -0.26 0.00 0.00 64.21 63.61 1n63 n SER 309 CO 0.00 0.00 0.00 0.72 -0.16 0.00 0.00 175.04 175.60 1n63 s PHE 310 N 5.70 2.42 0.09 7.33 -0.12 -1.12 -4.38 117.98 127.91 1n63 s PHE 310 Ca 1.08 0.88 0.08 0.00 -0.05 0.00 0.00 56.93 58.92 1n63 s PHE 310 Cb -1.07 -3.36 -0.03 0.00 -0.63 0.00 0.00 43.02 37.93 1n63 s PHE 310 CO 0.59 -2.50 -0.21 0.00 -0.05 0.00 0.00 175.22 173.05 1n63 s ALA 311 N -3.21 1.78 0.00 1.99 0.00 -0.17 -0.51 121.76 121.65 1n63 s ALA 311 Ca 0.64 -1.20 0.00 0.00 0.00 0.00 0.00 51.96 51.40 1n63 s ALA 311 Cb -0.16 -0.26 0.00 0.00 0.00 0.00 0.00 23.12 22.70 1n63 s ALA 311 CO 0.54 0.37 0.00 0.54 0.00 0.00 0.00 175.76 177.21 1n63 n ARG 312 N 1.26 0.00 -3.19 0.00 5.12 -0.87 -1.35 116.66 117.63 1n63 n ARG 312 Ca -0.19 0.00 -0.15 0.00 -1.93 0.00 0.00 57.85 55.59 1n63 n ARG 312 Cb 0.53 0.00 0.07 0.00 -1.16 0.00 0.00 32.46 31.91 1n63 n ARG 312 CO 0.00 0.00 0.00 -3.47 -1.93 0.00 0.00 177.63 172.23 1n63 n ASP 313 N 6.91 -2.49 -4.48 0.55 -0.08 0.21 -4.78 116.55 112.39 1n63 n ASP 313 Ca 0.00 -0.49 -0.33 0.00 -1.51 0.00 0.00 54.79 52.45 1n63 n ASP 313 Cb 0.00 -4.24 -0.13 0.00 2.34 0.00 0.00 41.12 39.09 1n63 n ASP 313 CO 0.00 0.00 0.00 -0.31 0.12 0.00 0.00 177.20 177.01 1n63 s TYR 314 N -3.29 2.84 -0.37 -0.67 1.51 -0.86 -1.85 117.35 114.66 1n63 s TYR 314 Ca 0.06 -0.26 -0.03 0.00 -1.01 0.00 0.00 57.07 55.84 1n63 s TYR 314 Cb -0.03 -1.76 0.09 0.00 -0.11 0.00 0.00 41.96 40.15 1n63 s TYR 314 CO 0.59 0.09 0.14 -1.01 -1.11 0.00 0.00 175.55 174.25 1n63 s HIS 315 N -0.30 3.49 -0.37 2.71 3.76 0.06 -0.72 115.29 123.93 1n63 s HIS 315 Ca 0.03 -2.23 -0.03 0.00 -0.15 0.00 0.00 55.06 52.68 1n63 s HIS 315 Cb -0.13 -2.87 0.08 0.00 1.11 0.00 0.00 32.58 30.78 1n63 s HIS 315 CO 0.03 -0.91 0.14 -1.64 -0.85 0.00 0.00 174.74 171.50 1n63 s MET 316 N 1.18 2.22 -0.61 1.40 1.00 0.16 -0.87 119.30 123.77 1n63 s MET 316 Ca 0.04 -1.58 -0.27 0.00 0.00 0.00 0.00 55.69 53.88 1n63 s MET 316 Cb -0.22 -3.46 0.03 0.00 0.00 0.00 0.00 34.83 31.18 1n63 s MET 316 CO -0.03 -0.89 1.18 0.99 0.00 0.00 0.00 175.02 176.27 1n63 s THR 317 N 1.21 4.00 -0.10 2.05 2.01 0.10 -0.66 115.64 124.26 1n63 s THR 317 Ca 0.03 0.72 0.04 0.00 0.31 0.00 0.00 61.69 62.79 1n63 s THR 317 Cb -0.22 -4.75 -0.00 0.00 0.01 0.00 0.00 72.50 67.55 1n63 s THR 317 CO -0.02 -1.43 -0.24 -0.89 -0.69 0.00 0.00 174.62 171.35 1n63 s THR 318 N 5.00 2.05 0.01 -0.82 2.01 0.24 -1.07 115.64 123.05 1n63 s THR 318 Ca 0.40 -1.02 0.03 0.00 0.31 0.00 0.00 61.69 61.41 1n63 s THR 318 Cb -0.08 -1.77 -0.01 0.00 0.01 0.00 0.00 72.50 70.65 1n63 s THR 318 CO 0.22 0.56 -0.10 -1.61 -0.69 0.00 0.00 174.62 173.00 1n63 s GLU 319 N 0.30 0.79 -0.01 4.92 2.02 0.07 -1.59 118.70 125.19 1n63 s GLU 319 Ca -0.17 -0.46 0.08 0.00 0.02 0.00 0.00 54.97 54.43 1n63 s GLU 319 Cb -0.18 -0.75 -0.02 0.00 0.10 0.00 0.00 34.13 33.28 1n63 s GLU 319 CO 0.08 0.20 -0.24 -0.51 0.02 0.00 0.00 175.26 174.81 1n63 s LEU 320 N -0.52 2.06 -0.09 1.80 1.43 -0.24 -1.39 118.68 121.73 1n63 s LEU 320 Ca 0.02 -0.45 -0.01 0.00 -1.03 0.00 0.00 54.13 52.66 1n63 s LEU 320 Cb -0.05 -1.24 -0.03 0.00 0.03 0.00 0.00 46.19 44.90 1n63 s LEU 320 CO 0.00 0.29 -0.05 0.00 0.23 0.00 0.00 176.35 176.81 1n63 s ALA 321 N -0.60 3.01 0.19 4.21 0.00 -0.52 -0.83 121.76 127.23 1n63 s ALA 321 Ca 0.09 -0.86 -0.08 0.00 0.00 0.00 0.00 51.96 51.11 1n63 s ALA 321 Cb -0.09 -1.34 -0.01 0.00 0.00 0.00 0.00 23.12 21.67 1n63 s ALA 321 CO -0.01 0.48 0.31 0.00 0.00 0.00 0.00 175.76 176.54 1n63 s ALA 322 N -0.49 0.17 0.64 0.00 0.00 -0.28 0.03 121.76 121.84 1n63 s ALA 322 Ca 0.08 -1.05 -0.07 0.00 0.00 0.00 0.00 51.96 50.91 1n63 s ALA 322 Cb -0.12 1.02 0.02 0.00 0.00 0.00 0.00 23.12 24.04 1n63 s ALA 322 CO 0.02 -0.69 0.97 0.95 0.00 0.00 0.00 175.76 177.01 1n63 s THR 323 N -4.02 3.31 0.36 0.00 -4.23 -0.39 -1.26 115.64 109.42 1n63 s THR 323 Ca 0.23 0.06 0.23 0.00 -1.18 0.00 0.00 61.69 61.03 1n63 s THR 323 Cb 0.03 -3.36 0.24 0.00 1.34 0.00 0.00 72.50 70.75 1n63 s THR 323 CO 0.05 -0.40 1.98 0.11 -0.54 0.00 0.00 174.62 175.81 1n63 h LYS 324 N -0.39 0.00 -0.01 3.99 1.57 -1.92 -0.31 116.57 119.50 1n63 h LYS 324 Ca -0.45 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.33 1n63 h LYS 324 Cb 1.27 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.58 1n63 h LYS 324 CO 0.61 0.19 0.00 -0.25 -0.57 0.00 0.00 179.45 179.43 1n63 n ASP 325 N -3.72 0.60 0.00 0.86 8.00 -1.26 -4.92 116.55 116.11 1n63 n ASP 325 Ca -0.02 -1.23 0.00 0.00 0.71 0.00 0.00 54.79 54.25 1n63 n ASP 325 Cb 0.30 -0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.40 1n63 n ASP 325 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1n63 n GLY 326 N 1.06 0.84 3.70 0.44 0.00 -0.13 -5.07 105.19 106.03 1n63 n GLY 326 Ca 0.21 -0.61 -0.42 0.00 0.00 0.00 0.00 46.02 45.21 1n63 n GLY 326 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1n63 s LYS 327 N -2.26 4.45 -0.14 1.61 -0.14 -1.26 -4.83 119.74 117.17 1n63 s LYS 327 Ca 0.00 1.24 -0.26 0.00 -1.36 0.00 0.00 55.97 55.59 1n63 s LYS 327 Cb 0.00 -3.50 -0.02 0.00 -1.68 0.00 0.00 37.83 32.63 1n63 s LYS 327 CO 0.00 -0.15 0.86 0.42 -0.76 0.00 0.00 175.35 175.72 1n63 s ILE 328 N 1.44 4.88 -0.16 2.17 1.01 -1.26 -1.26 121.20 128.03 1n63 s ILE 328 Ca 0.46 1.71 0.18 0.00 0.00 0.00 0.00 60.65 63.01 1n63 s ILE 328 Cb -0.19 -4.17 -0.26 0.00 0.01 0.00 0.00 42.46 37.85 1n63 s ILE 328 CO 0.21 0.05 0.21 0.18 0.00 0.00 0.00 174.94 175.59 1n63 n LEU 329 N 4.97 0.08 -3.59 2.97 4.77 0.10 -4.63 117.00 121.67 1n63 n LEU 329 Ca 0.05 0.04 -0.04 0.00 -0.03 0.00 0.00 56.01 56.02 1n63 n LEU 329 Cb 0.49 0.37 -0.02 0.00 -2.33 0.00 0.00 43.42 41.94 1n63 n LEU 329 CO 0.49 0.38 0.90 0.00 -1.33 0.00 0.00 177.39 177.83 1n63 s ALA 330 N -2.71 -1.98 0.02 -1.18 0.00 -1.18 -4.05 121.76 110.68 1n63 s ALA 330 Ca -0.09 1.11 0.05 0.00 0.00 0.00 0.00 51.96 53.03 1n63 s ALA 330 Cb 0.08 0.20 -0.02 0.00 0.00 0.00 0.00 23.12 23.38 1n63 s ALA 330 CO 0.84 -0.75 -0.14 1.41 0.00 0.00 0.00 175.76 177.12 1n63 s MET 331 N -2.71 1.02 -0.06 0.00 1.75 -1.17 -1.44 119.30 116.69 1n63 s MET 331 Ca 0.09 -0.67 -0.00 0.00 -1.25 0.00 0.00 55.69 53.86 1n63 s MET 331 Cb -0.00 -1.02 0.03 0.00 2.84 0.00 0.00 34.83 36.68 1n63 s MET 331 CO -0.05 0.26 -0.02 0.50 -0.65 0.00 0.00 175.02 175.06 1n63 s ARG 332 N -0.84 0.68 -0.03 4.11 3.52 -0.49 -1.58 118.95 124.33 1n63 s ARG 332 Ca 0.03 0.01 0.01 0.00 -0.13 0.00 0.00 55.73 55.65 1n63 s ARG 332 Cb -0.07 -0.87 0.02 0.00 -1.56 0.00 0.00 34.95 32.47 1n63 s ARG 332 CO 0.01 -0.19 -0.02 0.00 -0.81 0.00 0.00 175.30 174.29 1n63 s HIS 334 N 0.75 2.56 -0.14 0.00 5.04 -0.23 -1.21 115.29 122.06 1n63 s HIS 334 Ca -0.08 -0.88 -0.01 0.00 -1.54 0.00 0.00 55.06 52.55 1n63 s HIS 334 Cb -0.11 -1.69 -0.02 0.00 0.04 0.00 0.00 32.58 30.80 1n63 s HIS 334 CO -0.01 -0.32 -0.10 0.08 -2.34 0.00 0.00 174.74 172.06 1n63 s VAL 335 N 0.16 3.28 -0.36 0.89 1.01 0.10 0.01 120.40 125.48 1n63 s VAL 335 Ca -0.13 -0.57 -0.13 0.00 0.00 0.00 0.00 61.98 61.15 1n63 s VAL 335 Cb -0.16 -2.40 -0.00 0.00 0.00 0.00 0.00 36.38 33.81 1n63 s VAL 335 CO 0.07 0.51 0.25 -0.22 0.00 0.00 0.00 175.10 175.71 1n63 s LEU 336 N 0.44 4.68 -0.22 3.92 2.96 -0.05 -0.70 118.68 129.70 1n63 s LEU 336 Ca -0.08 -0.61 -0.07 0.00 -0.22 0.00 0.00 54.13 53.15 1n63 s LEU 336 Cb -0.15 -2.13 -0.03 0.00 0.50 0.00 0.00 46.19 44.38 1n63 s LEU 336 CO 0.04 -0.31 0.06 0.00 -1.32 0.00 0.00 176.35 174.82 1n63 s ALA 337 N 1.69 3.20 -0.45 5.97 0.00 -0.07 -0.76 121.76 131.35 1n63 s ALA 337 Ca 0.05 -1.00 -0.17 0.00 0.00 0.00 0.00 51.96 50.84 1n63 s ALA 337 Cb -0.18 -1.98 0.04 0.00 0.00 0.00 0.00 23.12 21.00 1n63 s ALA 337 CO 0.10 -0.25 0.47 0.34 0.00 0.00 0.00 175.76 176.42 1n63 s ASP 338 N 1.17 6.19 0.00 0.00 -1.08 -0.77 -0.89 116.67 121.29 1n63 s ASP 338 Ca 0.04 -0.83 0.26 0.00 -0.52 0.00 0.00 52.55 51.50 1n63 s ASP 338 Cb -0.14 -2.23 0.65 0.00 -1.46 0.00 0.00 42.92 39.74 1n63 s ASP 338 CO 0.03 -0.65 1.51 1.41 0.52 0.00 0.00 175.17 177.98 1n63 n HIS 339 N 5.65 0.00 -4.61 -5.34 8.25 -0.65 -4.85 115.22 113.66 1n63 n HIS 339 Ca -0.08 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.38 1n63 n HIS 339 Cb 0.46 -0.05 0.00 0.00 1.12 0.00 0.00 29.99 31.53 1n63 n HIS 339 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1n63 n GLY 340 N 1.30 0.23 0.14 -1.41 0.00 -1.26 -4.09 105.19 100.10 1n63 n GLY 340 Ca 0.14 -0.91 0.03 0.00 0.00 0.00 0.00 46.02 45.27 1n63 n GLY 340 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1n63 h ALA 341 N -0.61 0.68 -3.84 4.61 0.00 -0.06 -2.15 119.26 117.88 1n63 h ALA 341 Ca 0.00 -0.48 -0.39 0.00 0.00 0.00 0.00 54.91 54.05 1n63 h ALA 341 Cb 0.00 -0.04 -0.27 0.00 0.00 0.00 0.00 17.79 17.48 1n63 h ALA 341 CO 0.00 0.63 -0.78 -0.06 0.00 0.00 0.00 179.25 179.05 1n63 s PHE 342 N -2.97 0.88 -0.64 0.00 0.08 -1.26 -4.85 117.98 109.22 1n63 s PHE 342 Ca 0.03 -0.25 -0.27 0.00 0.12 0.00 0.00 56.93 56.56 1n63 s PHE 342 Cb 0.08 -0.55 0.03 0.00 -0.57 0.00 0.00 43.02 42.01 1n63 s PHE 342 CO 0.75 -0.01 1.20 0.34 -0.10 0.00 0.00 175.22 177.40 1n63 s ASP 343 N -0.63 6.32 -0.15 1.36 2.15 -1.26 -4.56 116.67 119.91 1n63 s ASP 343 Ca 0.01 -0.17 0.18 0.00 0.43 0.00 0.00 52.55 53.00 1n63 s ASP 343 Cb -0.05 -2.54 0.36 0.00 -0.30 0.00 0.00 42.92 40.39 1n63 s ASP 343 CO 0.00 -1.59 1.23 0.00 -0.17 0.00 0.00 175.17 174.64 1n63 n ALA 344 N 8.69 2.54 -1.97 3.66 0.00 -1.26 -4.15 120.51 128.03 1n63 n ALA 344 Ca 0.06 -2.58 -0.42 0.00 0.00 0.00 0.00 53.44 50.49 1n63 n ALA 344 Cb 0.49 -0.47 -0.03 0.00 0.00 0.00 0.00 19.45 19.43 1n63 n ALA 344 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1n63 s ALA 346 N 2.88 3.36 0.02 0.00 0.00 -1.26 -3.45 121.76 123.31 1n63 s ALA 346 Ca 0.73 0.68 -0.28 0.00 0.00 0.00 0.00 51.96 53.10 1n63 s ALA 346 Cb -0.38 -3.44 0.10 0.00 0.00 0.00 0.00 23.12 19.40 1n63 s ALA 346 CO 0.31 -0.48 0.83 -0.51 0.00 0.00 0.00 175.76 175.92 1n63 s ASP 347 N 1.16 -0.41 0.43 0.00 1.01 -1.26 -4.65 116.67 112.95 1n63 s ASP 347 Ca 0.56 0.02 -0.25 0.00 0.71 0.00 0.00 52.55 53.59 1n63 s ASP 347 Cb -0.25 0.42 -0.10 0.00 1.01 0.00 0.00 42.92 44.00 1n63 s ASP 347 CO 0.26 -0.68 1.18 -2.65 0.21 0.00 0.00 175.17 173.50 1n63 n PRO 348 N -0.24 1.70 0.22 8.23 -0.02 -1.26 -4.82 135.00 138.81 1n63 n PRO 348 Ca -0.10 0.61 0.15 0.00 -2.02 0.00 0.00 63.50 62.14 1n63 n PRO 348 Cb 0.62 -2.27 0.72 0.00 -0.02 0.00 0.00 33.50 32.54 1n63 n PRO 348 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 1n63 h SER 349 N 1.83 0.00 -0.11 2.55 4.64 -1.24 -1.71 113.55 119.51 1n63 h SER 349 Ca -0.47 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.85 1n63 h SER 349 Cb 1.31 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.40 1n63 h SER 349 CO 0.59 0.00 0.00 0.29 -0.87 0.00 0.00 176.83 176.84 1n63 n LYS 350 N -2.65 1.98 -3.69 4.77 5.02 -1.26 -4.68 118.16 117.65 1n63 n LYS 350 Ca -0.00 -1.45 -0.28 0.00 -2.02 0.00 0.00 58.31 54.56 1n63 n LYS 350 Cb 0.18 -1.46 -0.12 0.00 -0.02 0.00 0.00 35.03 33.61 1n63 n LYS 350 CO 0.00 0.00 0.00 -1.58 -0.52 0.00 0.00 177.40 175.30 1n63 s TRP 351 N -1.87 2.33 -0.99 2.13 0.52 -0.64 -4.95 118.94 115.46 1n63 s TRP 351 Ca 0.34 -2.76 0.25 0.00 0.02 0.00 0.00 56.10 53.95 1n63 s TRP 351 Cb 0.20 -1.92 1.05 0.00 -1.15 0.00 0.00 33.47 31.65 1n63 s TRP 351 CO 0.31 -0.71 1.79 -0.35 0.02 0.00 0.00 176.95 178.01 1n63 n PRO 352 N 2.73 0.01 -0.55 4.98 -0.04 -1.26 -1.14 135.00 139.72 1n63 n PRO 352 Ca 0.19 0.08 0.04 0.00 -0.04 0.00 0.00 63.50 63.77 1n63 n PRO 352 Cb 0.39 -1.51 0.20 0.00 -0.04 0.00 0.00 33.50 32.54 1n63 n PRO 352 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1n63 n ALA 353 N -1.51 3.54 -0.93 0.55 0.00 -1.26 -5.06 120.51 115.84 1n63 n ALA 353 Ca 0.06 -3.01 0.00 0.00 0.00 0.00 0.00 53.44 50.49 1n63 n ALA 353 Cb 0.29 -0.53 0.00 0.00 0.00 0.00 0.00 19.45 19.22 1n63 n ALA 353 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1n63 n GLY 354 N -1.11 2.47 2.44 0.00 0.00 -0.29 -2.19 105.19 106.51 1n63 n GLY 354 Ca 0.23 -0.41 -0.34 0.00 0.00 0.00 0.00 46.02 45.50 1n63 n GLY 354 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1n63 n PHE 355 N 10.82 3.12 0.30 1.61 3.72 0.86 -4.61 117.46 133.29 1n63 n PHE 355 Ca 0.00 -2.77 0.18 0.00 -0.05 0.00 0.00 57.45 54.81 1n63 n PHE 355 Cb 0.00 -1.18 0.85 0.00 -0.94 0.00 0.00 39.48 38.21 1n63 n PHE 355 CO 0.00 0.00 0.00 1.98 -0.05 0.00 0.00 176.76 178.69 1n63 h MET 356 N 2.29 0.00 -0.53 -1.08 1.85 -1.56 -1.32 114.93 114.59 1n63 h MET 356 Ca 0.55 0.00 0.00 0.00 -0.61 0.00 0.00 59.70 59.64 1n63 h MET 356 Cb 0.72 0.00 0.00 0.00 0.43 0.00 0.00 31.60 32.75 1n63 h MET 356 CO 1.41 0.00 0.00 0.27 -0.40 0.00 0.00 176.91 178.19 1n63 n ASN 357 N -2.83 0.53 -1.40 1.39 6.94 -1.26 -1.80 115.26 116.82 1n63 n ASN 357 Ca -0.01 -1.75 0.06 0.00 -0.02 0.00 0.00 54.58 52.86 1n63 n ASN 357 Cb 0.16 -0.26 0.29 0.00 -2.36 0.00 0.00 39.78 37.61 1n63 n ASN 357 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1n63 n ILE 358 N -0.16 1.69 1.02 1.53 0.13 -0.50 -4.60 119.36 118.47 1n63 n ILE 358 Ca 0.00 -0.97 0.10 0.00 -1.10 0.00 0.00 62.75 60.78 1n63 n ILE 358 Cb 0.13 -0.12 0.53 0.00 -0.84 0.00 0.00 39.64 39.34 1n63 n ILE 358 CO 0.00 0.00 0.00 0.00 2.80 0.00 0.00 176.55 179.35 1n63 n THR 360 N -1.22 0.15 -4.85 0.00 -2.24 -1.26 -4.37 114.28 100.48 1n63 n THR 360 Ca 0.11 0.04 0.00 0.00 -2.27 0.00 0.00 64.05 61.93 1n63 n THR 360 Cb 0.14 -0.58 0.00 0.00 -2.10 0.00 0.00 70.33 67.79 1n63 n THR 360 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1n63 n GLY 361 N 1.18 2.04 0.65 3.38 0.00 -0.44 -3.36 105.19 108.64 1n63 n GLY 361 Ca 0.09 -0.52 0.04 0.00 0.00 0.00 0.00 46.02 45.63 1n63 n GLY 361 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1n63 n SER 362 N 0.17 1.86 -4.52 1.61 7.64 -1.26 -4.84 113.62 114.27 1n63 n SER 362 Ca 0.00 -2.08 -0.31 0.00 1.01 0.00 0.00 58.87 57.48 1n63 n SER 362 Cb 0.00 -0.28 -0.12 0.00 -1.01 0.00 0.00 64.21 62.80 1n63 n SER 362 CO 0.00 0.00 0.00 -0.31 -3.01 0.00 0.00 175.04 171.72 1n63 s TYR 363 N -1.63 2.71 -0.57 1.43 2.02 -1.21 -1.49 117.35 118.61 1n63 s TYR 363 Ca 0.20 -0.16 -0.23 0.00 -0.37 0.00 0.00 57.07 56.51 1n63 s TYR 363 Cb 0.12 -1.53 0.05 0.00 -0.40 0.00 0.00 41.96 40.20 1n63 s TYR 363 CO 0.12 0.31 0.90 0.34 -1.57 0.00 0.00 175.55 175.64 1n63 s ASP 364 N -1.44 6.27 0.05 2.29 2.15 0.05 -4.73 116.67 121.32 1n63 s ASP 364 Ca 0.16 -0.62 0.04 0.00 0.43 0.00 0.00 52.55 52.56 1n63 s ASP 364 Cb -0.11 -2.41 -0.02 0.00 -0.30 0.00 0.00 42.92 40.08 1n63 s ASP 364 CO 0.06 -1.24 -0.12 0.00 -0.17 0.00 0.00 175.17 173.71 1n63 s MET 365 N 3.78 0.74 0.30 4.34 0.23 -1.26 -4.85 119.30 122.58 1n63 s MET 365 Ca 0.26 -0.79 0.16 0.00 -1.03 0.00 0.00 55.69 54.29 1n63 s MET 365 Cb -0.15 -0.68 0.25 0.00 -1.53 0.00 0.00 34.83 32.73 1n63 s MET 365 CO 0.16 0.15 1.53 -1.00 -2.03 0.00 0.00 175.02 173.83 1n63 h PRO 366 N 4.65 0.00 -2.65 3.16 0.13 -1.82 -3.41 132.00 132.05 1n63 h PRO 366 Ca -0.38 0.00 -0.10 0.00 -0.87 0.00 0.00 66.00 64.66 1n63 h PRO 366 Cb 1.19 0.00 -0.20 0.00 0.13 0.00 0.00 31.00 32.12 1n63 h PRO 366 CO 0.42 0.49 -0.11 0.54 -0.23 0.00 0.00 178.00 179.11 1n63 s VAL 367 N -3.15 0.03 0.27 1.56 0.11 -1.26 -4.88 120.40 113.08 1n63 s VAL 367 Ca 0.03 -0.28 -0.19 0.00 -2.93 0.00 0.00 61.98 58.61 1n63 s VAL 367 Cb 0.09 -0.75 0.02 0.00 -1.53 0.00 0.00 36.38 34.20 1n63 s VAL 367 CO 0.73 -0.15 0.65 0.00 -3.33 0.00 0.00 175.10 173.00 1n63 s ALA 368 N -1.15 -0.98 -0.17 1.54 0.00 -1.26 -3.05 121.76 116.68 1n63 s ALA 368 Ca -0.12 -0.43 -0.15 0.00 0.00 0.00 0.00 51.96 51.27 1n63 s ALA 368 Cb -0.03 0.90 0.05 0.00 0.00 0.00 0.00 23.12 24.04 1n63 s ALA 368 CO 0.06 -0.98 0.46 -1.58 0.00 0.00 0.00 175.76 173.71 1n63 s HIS 369 N -3.94 -0.52 -0.03 0.00 2.46 -0.61 -1.54 115.29 111.11 1n63 s HIS 369 Ca 0.13 1.25 0.04 0.00 0.47 0.00 0.00 55.06 56.96 1n63 s HIS 369 Cb -0.04 0.19 -0.01 0.00 -0.13 0.00 0.00 32.58 32.59 1n63 s HIS 369 CO 0.07 -0.26 -0.15 -1.17 -2.47 0.00 0.00 174.74 170.76 1n63 s LEU 370 N 0.39 1.94 0.00 8.88 2.96 -0.37 -1.36 118.68 131.13 1n63 s LEU 370 Ca -0.01 -0.29 0.02 0.00 -0.22 0.00 0.00 54.13 53.63 1n63 s LEU 370 Cb -0.04 -0.83 -0.01 0.00 0.50 0.00 0.00 46.19 45.82 1n63 s LEU 370 CO -0.01 0.16 -0.08 0.00 -1.32 0.00 0.00 176.35 175.10 1n63 s ALA 371 N -0.11 0.64 -0.03 5.97 0.00 -0.35 -1.50 121.76 126.39 1n63 s ALA 371 Ca 0.01 -0.39 0.01 0.00 0.00 0.00 0.00 51.96 51.59 1n63 s ALA 371 Cb -0.09 -0.14 0.01 0.00 0.00 0.00 0.00 23.12 22.91 1n63 s ALA 371 CO 0.01 0.14 -0.05 0.08 0.00 0.00 0.00 175.76 175.93 1n63 s VAL 372 N -0.33 0.52 -0.14 0.00 1.01 0.23 -0.72 120.40 120.98 1n63 s VAL 372 Ca 0.02 -0.18 0.00 0.00 0.00 0.00 0.00 61.98 61.82 1n63 s VAL 372 Cb -0.04 -0.51 -0.01 0.00 0.00 0.00 0.00 36.38 35.82 1n63 s VAL 372 CO -0.00 0.20 -0.15 -1.81 0.00 0.00 0.00 175.10 173.34 1n63 s ASP 373 N 0.53 3.82 -0.06 3.32 1.01 0.12 -0.92 116.67 124.50 1n63 s ASP 373 Ca -0.07 -0.39 -0.12 0.00 0.71 0.00 0.00 52.55 52.67 1n63 s ASP 373 Cb -0.10 -1.58 -0.05 0.00 1.01 0.00 0.00 42.92 42.20 1n63 s ASP 373 CO 0.00 0.14 0.31 -0.83 0.21 0.00 0.00 175.17 175.00 1n63 s GLY 374 N 0.51 2.34 0.10 0.21 0.00 -0.43 -0.89 107.32 109.16 1n63 s GLY 374 Ca -0.10 -0.38 0.07 0.00 0.00 0.00 0.00 44.72 44.31 1n63 s GLY 374 CO 0.04 0.05 -0.17 -1.34 0.00 0.00 0.00 173.10 171.68 1n63 s VAL 375 N -0.78 1.41 0.17 1.40 -7.23 -0.07 -0.44 120.40 114.86 1n63 s VAL 375 Ca 0.20 -1.52 -0.19 0.00 -1.81 0.00 0.00 61.98 58.66 1n63 s VAL 375 Cb -0.15 -1.39 -0.08 0.00 0.56 0.00 0.00 36.38 35.33 1n63 s VAL 375 CO 0.09 -0.22 0.66 -0.31 -0.31 0.00 0.00 175.10 175.01 1n63 s TYR 376 N -1.47 3.70 0.20 2.82 2.02 -0.31 -1.64 117.35 122.66 1n63 s TYR 376 Ca 0.04 1.32 -0.05 0.00 -0.37 0.00 0.00 57.07 58.01 1n63 s TYR 376 Cb -0.09 -2.56 -0.03 0.00 -0.40 0.00 0.00 41.96 38.89 1n63 s TYR 376 CO 0.03 0.43 0.23 0.95 -1.57 0.00 0.00 175.55 175.62 1n63 s THR 377 N -1.39 0.02 -1.54 -0.71 -4.23 -0.81 -4.92 115.64 102.06 1n63 s THR 377 Ca 0.38 -1.78 -0.12 0.00 -1.18 0.00 0.00 61.69 59.00 1n63 s THR 377 Cb -0.18 -2.31 -0.02 0.00 1.34 0.00 0.00 72.50 71.33 1n63 s THR 377 CO 0.21 -0.08 2.60 0.59 -0.54 0.00 0.00 174.62 177.41 1n63 n ASN 378 N -0.28 6.47 -4.07 3.99 5.03 0.30 -1.56 115.26 125.15 1n63 n ASN 378 Ca -0.01 -2.71 -0.10 0.00 0.87 0.00 0.00 54.58 52.63 1n63 n ASN 378 Cb 0.64 -1.60 -0.08 0.00 -1.02 0.00 0.00 39.78 37.72 1n63 n ASN 378 CO 0.00 0.00 0.00 -0.54 -1.83 0.00 0.00 177.26 174.89 1n63 s LYS 379 N 2.56 1.11 0.80 3.52 1.02 -1.24 -4.58 119.74 122.91 1n63 s LYS 379 Ca 0.59 -1.35 -0.13 0.00 0.02 0.00 0.00 55.97 55.10 1n63 s LYS 379 Cb 0.16 0.32 0.08 0.00 -0.52 0.00 0.00 37.83 37.87 1n63 s LYS 379 CO -0.07 -0.37 1.20 0.00 -0.92 0.00 0.00 175.35 175.18 1n63 s ALA 380 N -4.03 1.88 0.66 5.17 0.00 -1.26 -1.10 121.76 123.08 1n63 s ALA 380 Ca 0.23 0.82 -0.02 0.00 0.00 0.00 0.00 51.96 52.99 1n63 s ALA 380 Cb 0.05 -3.48 0.07 0.00 0.00 0.00 0.00 23.12 19.76 1n63 s ALA 380 CO 0.03 -2.22 0.93 -1.54 0.00 0.00 0.00 175.76 172.95 1n63 s SER 381 N -2.20 4.81 0.00 0.00 1.04 -1.26 -4.11 113.70 111.98 1n63 s SER 381 Ca 0.73 0.06 0.00 0.00 0.48 0.00 0.00 55.95 57.22 1n63 s SER 381 Cb -0.28 -0.71 0.00 0.00 0.10 0.00 0.00 66.02 65.13 1n63 s SER 381 CO 0.50 -1.53 0.00 0.61 0.98 0.00 0.00 173.24 173.80 1n63 n GLY 382 N -2.70 0.49 0.00 7.32 0.00 -1.26 -2.78 105.19 106.26 1n63 n GLY 382 Ca 0.10 -1.68 0.00 0.00 0.00 0.00 0.00 46.02 44.44 1n63 n GLY 382 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1n63 n GLY 383 N 0.00 3.00 3.55 -0.02 0.00 0.34 -3.96 105.19 108.10 1n63 n GLY 383 Ca 0.00 -0.59 -0.43 0.00 0.00 0.00 0.00 46.02 45.00 1n63 n GLY 383 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1n63 s VAL 384 N 0.00 4.66 0.00 1.61 1.01 -1.26 -2.05 120.40 124.37 1n63 s VAL 384 Ca 0.00 0.50 0.00 0.00 0.00 0.00 0.00 61.98 62.48 1n63 s VAL 384 Cb 0.00 -4.30 0.00 0.00 0.00 0.00 0.00 36.38 32.08 1n63 s VAL 384 CO 0.00 -0.67 0.00 0.00 0.00 0.00 0.00 175.10 174.43 1n63 n ALA 385 N 6.67 0.00 -3.14 5.51 0.00 -1.26 -4.54 120.51 123.74 1n63 n ALA 385 Ca 0.02 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.32 1n63 n ALA 385 Cb 0.48 0.00 0.07 0.00 0.00 0.00 0.00 19.45 20.00 1n63 n ALA 385 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.50 178.48 1n63 n TYR 386 N -0.06 -1.90 -3.53 0.00 9.36 0.78 -3.45 117.16 118.37 1n63 n TYR 386 Ca 0.00 0.77 -0.23 0.00 3.32 0.00 0.00 57.90 61.76 1n63 n TYR 386 Cb 0.00 -4.42 0.07 0.00 -0.63 0.00 0.00 39.34 34.37 1n63 n TYR 386 CO 0.00 0.00 0.00 0.54 0.22 0.00 0.00 176.86 177.62 1n63 n ARG 387 N -3.46 -7.54 0.15 2.98 1.74 -1.25 -4.93 116.66 104.36 1n63 n ARG 387 Ca -0.20 0.80 0.08 0.00 -0.77 0.00 0.00 57.85 57.76 1n63 n ARG 387 Cb 0.63 -5.74 0.07 0.00 -1.02 0.00 0.00 32.46 26.40 1n63 n ARG 387 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1n63 n SER 389 N -3.04 -5.16 -2.44 0.00 7.64 -1.26 -0.14 113.62 109.21 1n63 n SER 389 Ca 0.01 -0.02 -0.01 0.00 1.01 0.00 0.00 58.87 59.86 1n63 n SER 389 Cb 0.63 -4.29 0.00 0.00 -1.01 0.00 0.00 64.21 59.55 1n63 n SER 389 CO 0.00 0.00 0.00 0.49 -3.01 0.00 0.00 175.04 172.52 1n63 n PHE 390 N -3.89 -1.75 -1.12 1.43 3.72 -1.26 -4.27 117.46 110.32 1n63 n PHE 390 Ca -0.18 0.66 -0.04 0.00 -0.05 0.00 0.00 57.45 57.85 1n63 n PHE 390 Cb 0.64 -3.11 -0.02 0.00 -0.94 0.00 0.00 39.48 36.06 1n63 n PHE 390 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 176.76 177.25 1n63 n ARG 391 N -1.57 -1.05 0.10 -1.08 5.12 -1.04 -0.10 116.66 117.03 1n63 n ARG 391 Ca -0.00 0.50 -0.06 0.00 -1.93 0.00 0.00 57.85 56.36 1n63 n ARG 391 Cb 0.51 -4.42 0.05 0.00 -1.16 0.00 0.00 32.46 27.44 1n63 n ARG 391 CO 0.00 0.00 0.00 0.28 -1.93 0.00 0.00 177.63 175.98 1n63 h VAL 392 N 0.00 1.50 -0.59 1.55 2.07 -0.71 -2.00 116.25 118.07 1n63 h VAL 392 Ca -0.08 -2.49 0.12 0.00 0.82 0.00 0.00 66.70 65.06 1n63 h VAL 392 Cb 0.65 2.35 -0.11 0.00 -1.52 0.00 0.00 31.29 32.66 1n63 h VAL 392 CO 0.12 0.72 -0.16 0.71 0.02 0.00 0.00 177.57 178.98 1n63 h THR 393 N 0.07 0.39 -0.31 2.57 1.35 -1.71 0.02 112.91 115.29 1n63 h THR 393 Ca -0.02 0.00 -0.05 0.00 -0.55 0.00 0.00 66.41 65.79 1n63 h THR 393 Cb 1.36 0.39 -0.01 0.00 -1.73 0.00 0.00 68.15 68.15 1n63 h THR 393 CO 0.11 0.00 0.02 -0.33 -0.25 0.00 0.00 175.52 175.07 1n63 h GLU 394 N -0.02 0.54 -0.36 4.72 3.07 -1.81 -1.27 114.58 119.44 1n63 h GLU 394 Ca 0.28 -0.16 0.05 0.00 -0.50 0.00 0.00 59.36 59.03 1n63 h GLU 394 Cb 0.45 -0.05 -0.05 0.00 -0.84 0.00 0.00 28.75 28.26 1n63 h GLU 394 CO -0.61 0.66 0.08 0.00 -1.40 0.00 0.00 179.01 177.74 1n63 h ALA 395 N 0.85 0.38 -0.33 3.43 0.00 -0.93 -0.26 119.26 122.40 1n63 h ALA 395 Ca 0.09 0.07 -0.14 0.00 0.00 0.00 0.00 54.91 54.93 1n63 h ALA 395 Cb 0.41 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 1n63 h ALA 395 CO 0.01 -0.33 -0.33 0.28 0.00 0.00 0.00 179.25 178.89 1n63 h VAL 396 N 0.20 1.29 -0.67 0.00 2.07 -0.97 -2.26 116.25 115.91 1n63 h VAL 396 Ca 0.17 -1.50 -0.01 0.00 0.82 0.00 0.00 66.70 66.18 1n63 h VAL 396 Cb 0.19 1.49 -0.03 0.00 -1.52 0.00 0.00 31.29 31.42 1n63 h VAL 396 CO -0.22 0.49 0.37 0.22 0.02 0.00 0.00 177.57 178.46 1n63 h TYR 397 N 0.58 0.91 0.09 1.57 5.03 -1.04 0.11 116.97 124.24 1n63 h TYR 397 Ca 0.05 -0.02 0.02 0.00 2.58 0.00 0.00 58.73 61.36 1n63 h TYR 397 Cb 0.91 -0.29 -0.04 0.00 1.55 0.00 0.00 36.73 38.86 1n63 h TYR 397 CO 0.07 0.65 -0.27 0.00 -1.32 0.00 0.00 178.16 177.28 1n63 h ALA 398 N 1.18 -0.44 -0.18 1.82 0.00 -0.89 -1.06 119.26 119.70 1n63 h ALA 398 Ca 0.24 -0.03 -0.20 0.00 0.00 0.00 0.00 54.91 54.91 1n63 h ALA 398 Cb 0.03 0.45 0.01 0.00 0.00 0.00 0.00 17.79 18.27 1n63 h ALA 398 CO -0.04 -0.80 -0.66 0.97 0.00 0.00 0.00 179.25 178.72 1n63 h ILE 399 N -0.47 1.29 -0.03 0.00 6.09 -1.28 -1.08 117.51 122.03 1n63 h ILE 399 Ca 0.04 -1.87 -0.13 0.00 -1.37 0.00 0.00 64.86 61.52 1n63 h ILE 399 Cb 0.51 1.92 -0.02 0.00 0.47 0.00 0.00 36.82 39.70 1n63 h ILE 399 CO -0.17 0.59 -0.60 -0.33 -3.07 0.00 0.00 178.15 174.57 1n63 h GLU 400 N 0.50 0.11 -0.34 2.19 4.39 -0.95 0.10 114.58 120.59 1n63 h GLU 400 Ca -0.03 -0.08 -0.09 0.00 0.34 0.00 0.00 59.36 59.51 1n63 h GLU 400 Cb 1.29 0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 29.94 1n63 h GLU 400 CO 0.14 0.68 -0.13 0.00 -1.16 0.00 0.00 179.01 178.54 1n63 h ARG 401 N 0.08 0.68 -0.41 2.33 2.47 -1.24 -3.09 114.38 115.20 1n63 h ARG 401 Ca -0.01 -0.28 -0.05 0.00 -1.26 0.00 0.00 59.98 58.39 1n63 h ARG 401 Cb 1.08 -0.03 -0.02 0.00 -1.65 0.00 0.00 29.97 29.35 1n63 h ARG 401 CO 0.09 0.87 0.05 0.00 0.56 0.00 0.00 179.97 181.53 1n63 h ALA 402 N 0.79 1.32 -0.76 0.04 0.00 -0.78 -0.73 119.26 119.15 1n63 h ALA 402 Ca 0.08 -0.20 0.03 0.00 0.00 0.00 0.00 54.91 54.82 1n63 h ALA 402 Cb 0.64 -0.17 -0.05 0.00 0.00 0.00 0.00 17.79 18.22 1n63 h ALA 402 CO 0.04 0.47 0.48 0.82 0.00 0.00 0.00 179.25 181.06 1n63 h ILE 403 N 0.61 1.12 -0.24 0.00 1.08 -0.84 0.41 117.51 119.65 1n63 h ILE 403 Ca 0.13 -0.33 -0.07 0.00 -0.39 0.00 0.00 64.86 64.21 1n63 h ILE 403 Cb 0.31 0.09 -0.01 0.00 -3.07 0.00 0.00 36.82 34.14 1n63 h ILE 403 CO 0.01 0.17 -0.12 -0.33 -0.69 0.00 0.00 178.15 177.18 1n63 h GLU 404 N 0.95 0.50 -0.09 2.37 4.39 -1.17 -0.35 114.58 121.18 1n63 h GLU 404 Ca 0.30 -0.22 -0.10 0.00 0.34 0.00 0.00 59.36 59.68 1n63 h GLU 404 Cb -0.00 -0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 28.62 1n63 h GLU 404 CO -0.10 0.78 -0.39 1.79 -1.16 0.00 0.00 179.01 179.93 1n63 h THR 405 N 0.22 1.30 -0.28 1.13 1.35 -0.98 -1.64 112.91 114.01 1n63 h THR 405 Ca 0.05 -1.44 -0.06 0.00 -0.55 0.00 0.00 66.41 64.41 1n63 h THR 405 Cb 0.63 1.66 -0.01 0.00 -1.73 0.00 0.00 68.15 68.70 1n63 h THR 405 CO 0.04 0.43 -0.04 0.25 -0.25 0.00 0.00 175.52 175.94 1n63 h LEU 406 N 0.17 0.52 -0.65 3.87 5.85 -0.81 -2.21 115.31 122.05 1n63 h LEU 406 Ca 0.02 -0.35 0.05 0.00 0.84 0.00 0.00 57.88 58.44 1n63 h LEU 406 Cb 0.76 -0.14 -0.05 0.00 0.37 0.00 0.00 40.66 41.60 1n63 h LEU 406 CO 0.06 0.74 0.38 0.00 -0.34 0.00 0.00 178.44 179.28 1n63 h ALA 407 N 0.79 0.86 0.13 1.25 0.00 -0.85 0.99 119.26 122.44 1n63 h ALA 407 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.99 1n63 h ALA 407 Cb 0.50 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 1n63 h ALA 407 CO 0.02 0.09 -0.10 1.96 0.00 0.00 0.00 179.25 181.22 1n63 h GLN 408 N 0.72 -0.23 -0.37 0.00 4.20 -1.17 -0.01 115.11 118.25 1n63 h GLN 408 Ca 0.28 0.02 0.02 0.00 0.06 0.00 0.00 58.65 59.02 1n63 h GLN 408 Cb 0.11 0.05 -0.02 0.00 0.30 0.00 0.00 27.48 27.93 1n63 h GLN 408 CO -0.15 -0.16 0.24 0.00 -0.67 0.00 0.00 178.83 178.10 1n63 h ARG 409 N -0.24 0.42 0.00 1.46 3.08 -0.72 -2.28 114.38 116.09 1n63 h ARG 409 Ca -0.00 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.02 1n63 h ARG 409 Cb 0.22 -0.09 0.00 0.00 0.08 0.00 0.00 29.97 30.18 1n63 h ARG 409 CO -0.01 0.28 0.00 1.28 -1.07 0.00 0.00 179.97 180.45 1n63 n LEU 410 N -4.48 0.79 -3.40 3.04 4.77 0.27 -4.93 117.00 113.05 1n63 n LEU 410 Ca 0.03 0.58 -0.18 0.00 -0.03 0.00 0.00 56.01 56.41 1n63 n LEU 410 Cb 0.12 -0.34 0.09 0.00 -2.33 0.00 0.00 43.42 40.95 1n63 n LEU 410 CO 0.35 -0.20 0.13 -0.62 -1.33 0.00 0.00 177.39 175.72 1n63 n GLU 411 N -2.25 -6.69 -4.29 3.23 1.02 -0.15 -5.00 120.64 106.51 1n63 n GLU 411 Ca 0.05 0.83 -0.24 0.00 -0.02 0.00 0.00 57.16 57.78 1n63 n GLU 411 Cb 0.42 -5.81 -0.12 0.00 -0.02 0.00 0.00 31.44 25.90 1n63 n GLU 411 CO 0.00 0.00 0.00 1.41 1.18 0.00 0.00 177.13 179.72 1n63 s MET 412 N -5.47 1.14 0.18 3.49 1.75 -0.41 -5.05 119.30 114.93 1n63 s MET 412 Ca 0.08 -1.17 -0.31 0.00 -1.25 0.00 0.00 55.69 53.04 1n63 s MET 412 Cb -0.04 -1.41 -0.09 0.00 2.84 0.00 0.00 34.83 36.13 1n63 s MET 412 CO 0.72 0.33 1.46 0.34 -0.65 0.00 0.00 175.02 177.21 1n63 s ASP 413 N -1.93 6.70 0.42 1.11 -1.08 -1.26 -4.46 116.67 116.17 1n63 s ASP 413 Ca 0.07 2.53 0.23 0.00 -0.52 0.00 0.00 52.55 54.86 1n63 s ASP 413 Cb -0.10 -2.60 0.73 0.00 -1.46 0.00 0.00 42.92 39.49 1n63 s ASP 413 CO 0.04 -0.71 1.74 0.77 0.52 0.00 0.00 175.17 177.53 1n63 h SER 414 N 6.13 0.00 -0.20 -0.34 4.64 -1.92 -1.41 113.55 120.45 1n63 h SER 414 Ca -0.44 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 60.88 1n63 h SER 414 Cb 1.21 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.29 1n63 h SER 414 CO 0.85 0.24 0.09 0.00 -0.87 0.00 0.00 176.83 177.14 1n63 h ALA 415 N 1.76 0.26 -0.57 5.18 0.00 -1.98 -1.86 119.26 122.04 1n63 h ALA 415 Ca -0.00 -0.09 -0.06 0.00 0.00 0.00 0.00 54.91 54.76 1n63 h ALA 415 Cb 0.88 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.57 1n63 h ALA 415 CO 0.03 -0.18 0.12 -0.44 0.00 0.00 0.00 179.25 178.79 1n63 h ASP 416 N 0.19 0.84 -0.65 0.00 3.32 -1.81 -0.68 116.42 117.63 1n63 h ASP 416 Ca 0.07 -0.16 -0.07 0.00 0.02 0.00 0.00 57.03 56.89 1n63 h ASP 416 Cb 0.13 -0.22 -0.03 0.00 0.22 0.00 0.00 39.33 39.43 1n63 h ASP 416 CO -0.01 0.83 0.15 0.25 -1.72 0.00 0.00 179.24 178.75 1n63 h LEU 417 N 0.86 1.00 -0.04 1.55 5.85 -1.18 -1.46 115.31 121.89 1n63 h LEU 417 Ca 0.18 -0.21 -0.00 0.00 0.84 0.00 0.00 57.88 58.69 1n63 h LEU 417 Cb 0.33 -0.26 -0.00 0.00 0.37 0.00 0.00 40.66 41.10 1n63 h LEU 417 CO 0.00 0.97 0.01 0.03 -0.34 0.00 0.00 178.44 179.11 1n63 h ARG 418 N 1.00 0.06 -0.90 1.25 3.08 -0.95 -2.91 114.38 115.01 1n63 h ARG 418 Ca 0.21 -0.01 0.08 0.00 0.07 0.00 0.00 59.98 60.33 1n63 h ARG 418 Cb 0.36 -0.01 -0.06 0.00 0.08 0.00 0.00 29.97 30.34 1n63 h ARG 418 CO 0.00 0.22 0.58 0.82 -1.07 0.00 0.00 179.97 180.53 1n63 h ILE 419 N -0.11 1.02 0.00 2.04 2.04 -0.90 -0.10 117.51 121.50 1n63 h ILE 419 Ca 0.01 -0.33 -0.02 0.00 1.00 0.00 0.00 64.86 65.52 1n63 h ILE 419 Cb 0.18 -0.03 -0.00 0.00 -0.74 0.00 0.00 36.82 36.23 1n63 h ILE 419 CO -0.00 0.18 -0.12 0.50 0.00 0.00 0.00 178.15 178.71 1n63 h LYS 420 N 0.96 0.00 -0.00 2.37 3.64 -1.09 -3.26 116.57 119.19 1n63 h LYS 420 Ca 0.40 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.78 1n63 h LYS 420 Cb 0.30 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.12 1n63 h LYS 420 CO -0.16 0.12 -0.00 0.09 -2.27 0.00 0.00 179.45 177.22 1n63 n ASN 421 N -3.46 1.23 -4.76 4.20 3.02 -0.21 -4.97 115.26 110.31 1n63 n ASN 421 Ca -0.01 -1.12 -0.39 0.00 -0.03 0.00 0.00 54.58 53.03 1n63 n ASN 421 Cb 0.27 0.04 0.03 0.00 -0.61 0.00 0.00 39.78 39.51 1n63 n ASN 421 CO 0.00 0.00 0.00 0.49 -2.62 0.00 0.00 177.26 175.13 1n63 n PHE 422 N 0.14 2.61 -1.81 3.10 3.72 -0.28 -0.77 117.46 124.17 1n63 n PHE 422 Ca 0.02 0.43 -0.42 0.00 -0.05 0.00 0.00 57.45 57.44 1n63 n PHE 422 Cb 0.08 -2.44 -0.02 0.00 -0.94 0.00 0.00 39.48 36.17 1n63 n PHE 422 CO 0.00 0.00 0.00 0.42 -0.05 0.00 0.00 176.76 177.13 1n63 s ILE 423 N -1.22 2.17 0.30 4.37 1.01 -0.55 -4.56 121.20 122.72 1n63 s ILE 423 Ca 0.64 0.14 0.00 0.00 0.00 0.00 0.00 60.65 61.44 1n63 s ILE 423 Cb -0.44 -3.09 -0.04 0.00 0.01 0.00 0.00 42.46 38.91 1n63 s ILE 423 CO 0.55 0.02 0.49 -1.10 0.00 0.00 0.00 174.94 174.90 1n63 s GLN 424 N -0.32 3.50 0.41 2.79 -1.52 -1.26 -4.59 119.66 118.67 1n63 s GLN 424 Ca 0.64 -0.35 0.08 0.00 -1.95 0.00 0.00 55.36 53.78 1n63 s GLN 424 Cb -0.47 -2.72 0.87 0.00 -0.22 0.00 0.00 33.01 30.47 1n63 s GLN 424 CO 0.46 0.24 2.04 -1.35 -0.25 0.00 0.00 175.29 176.43 1n63 h PRO 425 N 1.17 0.54 0.00 2.91 0.11 -1.95 -0.02 132.00 134.76 1n63 h PRO 425 Ca -0.49 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.58 1n63 h PRO 425 Cb 1.21 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 32.20 1n63 h PRO 425 CO 0.63 0.36 0.00 -0.85 -0.21 0.00 0.00 178.00 177.93 1n63 n GLU 426 N -4.47 0.22 0.00 1.05 0.00 -1.26 -2.88 120.64 113.29 1n63 n GLU 426 Ca 0.05 0.34 0.15 0.00 0.00 0.00 0.00 57.16 57.70 1n63 n GLU 426 Cb 0.12 -1.84 0.78 0.00 0.00 0.00 0.00 31.44 30.50 1n63 n GLU 426 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.13 178.17 1n63 n GLN 427 N -2.24 0.75 -2.87 3.44 6.02 -0.02 -4.88 117.38 117.58 1n63 n GLN 427 Ca 0.04 -0.10 -0.30 0.00 -0.01 0.00 0.00 57.00 56.62 1n63 n GLN 427 Cb 0.31 -1.50 -0.03 0.00 1.02 0.00 0.00 30.24 30.05 1n63 n GLN 427 CO 0.00 0.00 0.00 -0.06 -1.01 0.00 0.00 177.06 175.99 1n63 s PHE 428 N -2.32 3.48 0.26 1.08 0.40 -1.14 -3.26 117.98 116.49 1n63 s PHE 428 Ca 0.36 0.97 -0.31 0.00 -0.60 0.00 0.00 56.93 57.36 1n63 s PHE 428 Cb 0.21 -2.39 -0.13 0.00 0.51 0.00 0.00 43.02 41.22 1n63 s PHE 428 CO 0.43 -0.10 1.49 -2.30 0.70 0.00 0.00 175.22 175.43 1n63 n PRO 429 N -1.40 2.32 -4.09 0.24 -0.02 -1.26 -5.00 135.00 125.79 1n63 n PRO 429 Ca 0.02 0.83 -0.34 0.00 -2.02 0.00 0.00 63.50 61.98 1n63 n PRO 429 Cb 0.54 -2.54 -0.15 0.00 -0.02 0.00 0.00 33.50 31.34 1n63 n PRO 429 CO 0.00 0.00 0.00 -0.47 1.98 0.00 0.00 175.50 177.01 1n63 s TYR 430 N -0.04 2.88 -0.47 6.00 5.04 -0.71 -4.90 117.35 125.15 1n63 s TYR 430 Ca 0.66 -1.14 -0.29 0.00 -2.44 0.00 0.00 57.07 53.87 1n63 s TYR 430 Cb -0.58 -2.01 0.03 0.00 0.35 0.00 0.00 41.96 39.75 1n63 s TYR 430 CO 0.49 -0.59 1.13 1.41 -1.34 0.00 0.00 175.55 176.65 1n63 s MET 431 N 1.28 3.72 0.62 4.97 -2.45 -1.26 -0.41 119.30 125.76 1n63 s MET 431 Ca 0.03 0.56 -0.11 0.00 -1.25 0.00 0.00 55.69 54.92 1n63 s MET 431 Cb -0.14 -3.91 -0.04 0.00 1.25 0.00 0.00 34.83 31.99 1n63 s MET 431 CO -0.05 -1.37 1.03 0.00 1.05 0.00 0.00 175.02 175.68 1n63 s ALA 432 N 4.42 3.07 -1.99 4.11 0.00 0.07 -4.96 121.76 126.49 1n63 s ALA 432 Ca 0.48 -0.06 0.27 0.00 0.00 0.00 0.00 51.96 52.65 1n63 s ALA 432 Cb -0.07 -3.09 1.58 0.00 0.00 0.00 0.00 23.12 21.54 1n63 s ALA 432 CO 0.31 -0.69 1.94 -0.35 0.00 0.00 0.00 175.76 176.97 1n63 n PRO 433 N -2.68 0.82 -0.25 0.00 -0.04 -1.26 -1.97 135.00 129.61 1n63 n PRO 433 Ca 0.06 0.00 0.09 0.00 -0.04 0.00 0.00 63.50 63.62 1n63 n PRO 433 Cb 0.54 -1.50 0.20 0.00 -0.04 0.00 0.00 33.50 32.70 1n63 n PRO 433 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1n63 n LEU 434 N -1.01 3.07 0.00 1.53 4.77 -1.26 -4.42 117.00 119.67 1n63 n LEU 434 Ca 0.20 -3.07 0.00 0.00 -0.03 0.00 0.00 56.01 53.11 1n63 n LEU 434 Cb 0.09 -0.48 0.00 0.00 -2.33 0.00 0.00 43.42 40.70 1n63 n LEU 434 CO 0.15 0.70 0.00 0.61 -1.33 0.00 0.00 177.39 177.52 1n63 n GLY 435 N -1.01 1.63 3.81 -0.72 0.00 -0.83 -4.81 105.19 103.25 1n63 n GLY 435 Ca 0.19 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.82 1n63 n GLY 435 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1n63 s TRP 436 N -2.24 3.80 -0.50 1.61 0.52 -1.26 -4.85 118.94 116.03 1n63 s TRP 436 Ca 0.00 1.36 -0.14 0.00 0.02 0.00 0.00 56.10 57.34 1n63 s TRP 436 Cb 0.00 -2.57 0.11 0.00 -1.15 0.00 0.00 33.47 29.86 1n63 s TRP 436 CO 0.00 0.53 0.43 -2.00 0.02 0.00 0.00 176.95 175.92 1n63 s GLU 437 N -1.29 2.88 0.26 4.98 2.12 -1.26 -0.75 118.70 125.63 1n63 s GLU 437 Ca 0.33 -1.59 -0.30 0.00 0.36 0.00 0.00 54.97 53.77 1n63 s GLU 437 Cb -0.20 -4.15 -0.10 0.00 0.26 0.00 0.00 34.13 29.95 1n63 s GLU 437 CO 0.21 -1.19 1.31 0.71 -0.54 0.00 0.00 175.26 175.76 1n63 s TYR 438 N 1.56 3.17 -0.02 5.30 1.51 0.45 -4.79 117.35 124.53 1n63 s TYR 438 Ca 0.04 1.30 -0.19 0.00 -1.01 0.00 0.00 57.07 57.20 1n63 s TYR 438 Cb -0.27 -3.64 -0.33 0.00 -0.11 0.00 0.00 41.96 37.61 1n63 s TYR 438 CO 0.03 -1.89 0.91 0.38 -1.11 0.00 0.00 175.55 173.88 1n63 h ASP 439 N 4.48 0.60 -4.58 2.29 2.03 -1.88 -1.88 116.42 117.49 1n63 h ASP 439 Ca -0.47 -0.94 0.06 0.00 -0.73 0.00 0.00 57.03 54.95 1n63 h ASP 439 Cb 1.22 -0.20 -0.18 0.00 -0.83 0.00 0.00 39.33 39.34 1n63 h ASP 439 CO 0.72 1.53 0.43 -0.94 -1.03 0.00 0.00 179.24 179.95 1n63 s SER 440 N -7.20 -0.44 -0.28 4.15 1.04 -1.26 -4.07 113.70 105.63 1n63 s SER 440 Ca -0.12 0.26 -0.26 0.00 0.48 0.00 0.00 55.95 56.31 1n63 s SER 440 Cb 0.02 0.41 0.16 0.00 0.10 0.00 0.00 66.02 66.72 1n63 s SER 440 CO 0.87 -0.57 1.28 -0.83 0.98 0.00 0.00 173.24 174.97 1n63 s GLY 441 N -1.83 0.13 -0.56 7.32 0.00 -1.26 -4.86 107.32 106.27 1n63 s GLY 441 Ca -0.01 3.11 0.04 0.00 0.00 0.00 0.00 44.72 47.86 1n63 s GLY 441 CO -0.03 1.79 0.40 0.21 0.00 0.00 0.00 173.10 175.47 1n63 s ASN 442 N -0.06 3.38 0.13 1.64 3.04 -1.26 -4.10 114.94 117.70 1n63 s ASN 442 Ca 0.06 -3.39 -0.08 0.00 0.04 0.00 0.00 52.86 49.48 1n63 s ASN 442 Cb -0.04 -1.10 -0.08 0.00 -1.54 0.00 0.00 41.25 38.48 1n63 s ASN 442 CO -0.11 -0.14 1.34 1.88 -3.04 0.00 0.00 177.10 177.03 1n63 h TYR 443 N 5.67 0.87 -0.52 0.43 0.05 -1.95 -3.09 116.97 118.43 1n63 h TYR 443 Ca 0.17 -0.40 -0.09 0.00 0.05 0.00 0.00 58.73 58.47 1n63 h TYR 443 Cb 0.84 -0.13 -0.02 0.00 1.01 0.00 0.00 36.73 38.42 1n63 h TYR 443 CO 0.50 1.20 -0.02 -1.35 -1.05 0.00 0.00 178.16 177.44 1n63 h PRO 444 N 0.43 0.90 0.14 4.88 0.11 -1.93 -0.18 132.00 136.35 1n63 h PRO 444 Ca -0.05 -0.27 -0.01 0.00 0.11 0.00 0.00 66.00 65.78 1n63 h PRO 444 Cb 1.40 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.42 1n63 h PRO 444 CO 0.15 0.91 -0.07 1.25 -0.21 0.00 0.00 178.00 180.03 1n63 h LEU 445 N 0.83 -0.16 -0.61 2.35 5.85 -2.00 -1.39 115.31 120.19 1n63 h LEU 445 Ca 0.15 0.00 -0.04 0.00 0.84 0.00 0.00 57.88 58.83 1n63 h LEU 445 Cb 0.52 0.04 -0.03 0.00 0.37 0.00 0.00 40.66 41.56 1n63 h LEU 445 CO 0.03 -0.11 0.21 0.00 -0.34 0.00 0.00 178.44 178.22 1n63 h ALA 446 N 0.67 0.79 -0.64 1.25 0.00 -1.38 -1.28 119.26 118.68 1n63 h ALA 446 Ca -0.02 -0.19 0.02 0.00 0.00 0.00 0.00 54.91 54.72 1n63 h ALA 446 Cb 0.15 -0.24 -0.04 0.00 0.00 0.00 0.00 17.79 17.66 1n63 h ALA 446 CO 0.03 0.45 0.40 1.98 0.00 0.00 0.00 179.25 182.11 1n63 h MET 447 N 0.86 0.78 -0.82 0.00 1.85 -0.98 -1.06 114.93 115.57 1n63 h MET 447 Ca 0.20 -0.05 -0.03 0.00 -0.61 0.00 0.00 59.70 59.21 1n63 h MET 447 Cb 0.26 -0.18 -0.04 0.00 0.43 0.00 0.00 31.60 32.08 1n63 h MET 447 CO -0.01 0.52 0.38 -0.22 -0.40 0.00 0.00 176.91 177.17 1n63 h LYS 448 N 0.80 1.19 -0.46 0.39 1.63 -1.12 -0.99 116.57 118.02 1n63 h LYS 448 Ca 0.25 -0.19 -0.08 0.00 -0.85 0.00 0.00 60.65 59.79 1n63 h LYS 448 Cb -0.01 -0.21 -0.02 0.00 -0.60 0.00 0.00 32.23 31.39 1n63 h LYS 448 CO -0.09 0.93 -0.02 -0.22 -3.45 0.00 0.00 179.45 176.60 1n63 h LYS 449 N 1.17 0.82 0.07 1.90 3.64 -0.72 0.99 116.57 124.44 1n63 h LYS 449 Ca 0.28 -0.27 -0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1n63 h LYS 449 Cb 0.15 -0.07 0.00 0.00 -0.41 0.00 0.00 32.23 31.90 1n63 h LYS 449 CO -0.03 0.89 -0.03 0.00 -2.27 0.00 0.00 179.45 178.00 1n63 h ALA 450 N 0.90 -0.09 -0.98 5.00 0.00 -1.03 -0.19 119.26 122.86 1n63 h ALA 450 Ca 0.13 -0.07 0.04 0.00 0.00 0.00 0.00 54.91 55.00 1n63 h ALA 450 Cb 0.53 0.04 -0.06 0.00 0.00 0.00 0.00 17.79 18.30 1n63 h ALA 450 CO 0.03 -0.50 0.64 0.52 0.00 0.00 0.00 179.25 179.94 1n63 h MET 451 N -0.20 1.20 -0.42 0.00 2.86 -0.93 -1.80 114.93 115.64 1n63 h MET 451 Ca -0.01 -0.07 -0.05 0.00 -2.06 0.00 0.00 59.70 57.51 1n63 h MET 451 Cb 0.17 -0.27 -0.02 0.00 0.06 0.00 0.00 31.60 31.54 1n63 h MET 451 CO 0.02 0.80 0.08 -0.44 1.06 0.00 0.00 176.91 178.42 1n63 h ASP 452 N 1.24 0.66 -0.60 1.22 3.32 -0.70 -0.80 116.42 120.76 1n63 h ASP 452 Ca 0.39 -0.25 -0.04 0.00 0.02 0.00 0.00 57.03 57.16 1n63 h ASP 452 Cb 0.01 -0.17 -0.03 0.00 0.22 0.00 0.00 39.33 39.36 1n63 h ASP 452 CO -0.12 0.73 0.23 0.74 -1.72 0.00 0.00 179.24 179.11 1n63 h THR 453 N 0.55 1.23 -0.00 0.35 2.02 -0.53 -2.88 112.91 113.64 1n63 h THR 453 Ca 0.13 -0.73 0.00 0.00 0.77 0.00 0.00 66.41 66.58 1n63 h THR 453 Cb 0.35 0.58 0.00 0.00 -1.74 0.00 0.00 68.15 67.34 1n63 h THR 453 CO 0.01 0.28 -0.38 1.33 0.37 0.00 0.00 175.52 177.13 1n63 n VAL 454 N -4.45 0.00 -2.92 3.16 0.24 -0.72 -4.95 118.33 108.69 1n63 n VAL 454 Ca 0.04 -0.05 -0.11 0.00 -2.04 0.00 0.00 64.34 62.17 1n63 n VAL 454 Cb 0.17 0.28 0.06 0.00 -1.47 0.00 0.00 33.84 32.88 1n63 n VAL 454 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1n63 n GLY 455 N 1.43 -0.22 0.24 7.63 0.00 -0.48 -4.75 105.19 109.04 1n63 n GLY 455 Ca 0.08 0.03 0.01 0.00 0.00 0.00 0.00 46.02 46.14 1n63 n GLY 455 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 1n63 h TYR 456 N -1.17 0.28 -0.76 1.61 3.20 -1.50 -0.41 116.97 118.22 1n63 h TYR 456 Ca -0.41 0.04 -0.05 0.00 3.14 0.00 0.00 58.73 61.44 1n63 h TYR 456 Cb 1.23 -0.03 -0.03 0.00 1.54 0.00 0.00 36.73 39.44 1n63 h TYR 456 CO 0.28 -0.00 0.26 1.25 -1.64 0.00 0.00 178.16 178.31 1n63 h HIS 457 N 0.31 1.20 -0.45 -3.82 2.76 -1.92 -1.26 115.15 111.97 1n63 h HIS 457 Ca 0.33 -0.11 -0.10 0.00 -2.20 0.00 0.00 60.37 58.30 1n63 h HIS 457 Cb 0.49 -0.35 -0.01 0.00 1.55 0.00 0.00 27.41 29.08 1n63 h HIS 457 CO -0.22 0.93 -0.09 1.96 -1.30 0.00 0.00 177.93 179.20 1n63 h GLN 458 N 1.13 0.87 -0.79 5.26 7.50 -1.78 -2.60 115.11 124.69 1n63 h GLN 458 Ca 0.25 -0.32 0.04 0.00 0.50 0.00 0.00 58.65 59.12 1n63 h GLN 458 Cb 0.27 -0.05 -0.05 0.00 0.05 0.00 0.00 27.48 27.70 1n63 h GLN 458 CO -0.01 0.96 0.49 -0.07 -1.50 0.00 0.00 178.83 178.70 1n63 h LEU 459 N 0.70 0.79 -1.22 1.46 3.38 -0.36 0.50 115.31 120.57 1n63 h LEU 459 Ca 0.12 0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.09 1n63 h LEU 459 Cb 0.63 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 41.19 1n63 h LEU 459 CO 0.04 0.53 0.41 0.03 0.09 0.00 0.00 178.44 179.54 1n63 h ARG 460 N 0.93 0.95 -0.28 1.13 2.47 -1.01 0.16 114.38 118.74 1n63 h ARG 460 Ca 0.33 -0.08 -0.19 0.00 -1.26 0.00 0.00 59.98 58.78 1n63 h ARG 460 Cb 0.08 -0.20 0.00 0.00 -1.65 0.00 0.00 29.97 28.21 1n63 h ARG 460 CO -0.14 0.67 -0.55 0.00 0.56 0.00 0.00 179.97 180.51 1n63 h ALA 461 N 1.49 0.44 -0.20 0.04 0.00 -1.05 -0.92 119.26 119.06 1n63 h ALA 461 Ca 0.25 -0.52 0.02 0.00 0.00 0.00 0.00 54.91 54.66 1n63 h ALA 461 Cb -0.03 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.67 1n63 h ALA 461 CO -0.05 0.66 0.08 1.49 0.00 0.00 0.00 179.25 181.43 1n63 h GLU 462 N 0.64 0.17 -0.56 0.00 4.81 -0.61 -1.54 114.58 117.50 1n63 h GLU 462 Ca 0.01 -0.01 0.05 0.00 -0.13 0.00 0.00 59.36 59.28 1n63 h GLU 462 Cb 1.16 -0.04 -0.05 0.00 0.63 0.00 0.00 28.75 30.46 1n63 h GLU 462 CO 0.12 0.12 0.29 0.37 -0.73 0.00 0.00 179.01 179.18 1n63 h GLN 463 N 0.18 0.54 -0.89 1.92 4.15 -0.80 -0.62 115.11 119.59 1n63 h GLN 463 Ca 0.09 -0.03 -0.01 0.00 0.77 0.00 0.00 58.65 59.47 1n63 h GLN 463 Cb 0.05 -0.12 -0.04 0.00 0.21 0.00 0.00 27.48 27.57 1n63 h GLN 463 CO -0.08 0.36 0.52 -0.22 -1.93 0.00 0.00 178.83 177.48 1n63 h LYS 464 N 0.55 1.21 -0.48 1.69 3.64 -0.91 -0.60 116.57 121.67 1n63 h LYS 464 Ca 0.25 -0.11 -0.10 0.00 -1.27 0.00 0.00 60.65 59.41 1n63 h LYS 464 Cb 0.15 -0.25 -0.02 0.00 -0.41 0.00 0.00 32.23 31.70 1n63 h LYS 464 CO -0.17 0.85 -0.11 0.00 -2.27 0.00 0.00 179.45 177.76 1n63 h ALA 465 N 1.35 0.89 -0.18 5.00 0.00 -0.82 -1.02 119.26 124.49 1n63 h ALA 465 Ca 0.32 -0.33 -0.10 0.00 0.00 0.00 0.00 54.91 54.79 1n63 h ALA 465 Cb -0.04 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.56 1n63 h ALA 465 CO -0.06 0.64 -0.32 -0.22 0.00 0.00 0.00 179.25 179.29 1n63 h LYS 466 N 0.80 0.36 -0.37 0.00 3.64 -0.45 -0.86 116.57 119.68 1n63 h LYS 466 Ca 0.13 -0.15 -0.14 0.00 -1.27 0.00 0.00 60.65 59.22 1n63 h LYS 466 Cb 0.63 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.43 1n63 h LYS 466 CO 0.04 0.64 -0.31 1.96 -2.27 0.00 0.00 179.45 179.52 1n63 h GLN 467 N 0.31 0.86 -0.73 1.90 4.20 -0.72 -0.65 115.11 120.28 1n63 h GLN 467 Ca 0.04 -0.43 0.01 0.00 0.06 0.00 0.00 58.65 58.33 1n63 h GLN 467 Cb 0.72 0.00 -0.04 0.00 0.30 0.00 0.00 27.48 28.47 1n63 h GLN 467 CO 0.05 1.08 0.48 0.93 -0.67 0.00 0.00 178.83 180.70 1n63 h GLU 468 N 0.67 0.94 -0.47 1.46 5.08 -0.89 -1.29 114.58 120.08 1n63 h GLU 468 Ca 0.07 -0.06 -0.04 0.00 -1.00 0.00 0.00 59.36 58.33 1n63 h GLU 468 Cb 0.89 -0.21 -0.02 0.00 0.50 0.00 0.00 28.75 29.91 1n63 h GLU 468 CO 0.08 0.62 0.12 0.00 -1.00 0.00 0.00 179.01 178.83 1n63 h ALA 469 N 1.28 1.34 -0.40 3.43 0.00 -0.80 -0.54 119.26 123.57 1n63 h ALA 469 Ca 0.28 -0.17 -0.07 0.00 0.00 0.00 0.00 54.91 54.95 1n63 h ALA 469 Cb -0.08 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.51 1n63 h ALA 469 CO -0.07 0.47 -0.01 0.35 0.00 0.00 0.00 179.25 179.99 1n63 h PHE 470 N 0.68 0.78 0.00 0.00 3.57 -0.36 -0.77 116.94 120.83 1n63 h PHE 470 Ca 0.15 -0.14 -0.02 0.00 3.53 0.00 0.00 57.97 61.49 1n63 h PHE 470 Cb 0.24 -0.20 -0.00 0.00 2.79 0.00 0.00 35.95 38.77 1n63 h PHE 470 CO 0.01 0.80 -0.11 0.87 -2.23 0.00 0.00 178.31 177.65 1n63 h LYS 471 N 0.54 0.00 -0.00 1.11 1.79 -0.78 -1.22 116.57 118.02 1n63 h LYS 471 Ca 0.11 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.58 1n63 h LYS 471 Cb 0.49 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.14 1n63 h LYS 471 CO 0.02 0.11 -0.13 0.54 -1.08 0.00 0.00 179.45 178.91 1n63 n ARG 472 N -3.25 0.38 -1.36 3.15 1.74 -0.25 -4.91 116.66 112.15 1n63 n ARG 472 Ca 0.00 -0.11 0.00 0.00 -0.77 0.00 0.00 57.85 56.97 1n63 n ARG 472 Cb 0.37 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 30.31 1n63 n ARG 472 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1n63 n GLY 473 N 1.37 0.53 0.00 -0.13 0.00 -0.46 -4.95 105.19 101.55 1n63 n GLY 473 Ca 0.11 -0.86 0.10 0.00 0.00 0.00 0.00 46.02 45.38 1n63 n GLY 473 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1n63 n GLU 474 N -1.81 0.14 -3.78 1.61 1.02 -0.38 -4.96 120.64 112.48 1n63 n GLU 474 Ca 0.00 -0.04 -0.11 0.00 -0.02 0.00 0.00 57.16 57.00 1n63 n GLU 474 Cb 0.25 -1.51 -0.07 0.00 -0.02 0.00 0.00 31.44 30.08 1n63 n GLU 474 CO 0.00 0.00 0.00 -0.08 1.18 0.00 0.00 177.13 178.23 1n63 s THR 475 N -3.11 0.10 -0.18 2.62 -1.32 -1.25 -4.99 115.64 107.51 1n63 s THR 475 Ca 0.05 -0.81 0.12 0.00 -1.21 0.00 0.00 61.69 59.84 1n63 s THR 475 Cb 0.16 -1.06 0.24 0.00 -1.51 0.00 0.00 72.50 70.33 1n63 s THR 475 CO 0.86 -0.45 1.16 0.54 -2.21 0.00 0.00 174.62 174.52 1n63 n ARG 476 N 0.34 2.20 -4.05 7.08 5.12 -1.26 -4.51 116.66 121.58 1n63 n ARG 476 Ca -0.17 -2.25 -0.36 0.00 -1.93 0.00 0.00 57.85 53.14 1n63 n ARG 476 Cb 0.61 -1.38 -0.07 0.00 -1.16 0.00 0.00 32.46 30.45 1n63 n ARG 476 CO 0.00 0.00 0.00 -2.00 -1.93 0.00 0.00 177.63 173.70 1n63 s GLU 477 N -2.13 3.36 0.16 5.56 2.12 -1.26 -1.61 118.70 124.89 1n63 s GLU 477 Ca 0.23 -0.24 0.11 0.00 0.36 0.00 0.00 54.97 55.43 1n63 s GLU 477 Cb 0.19 -3.07 -0.04 0.00 0.26 0.00 0.00 34.13 31.47 1n63 s GLU 477 CO 0.04 0.70 -0.25 0.96 -0.54 0.00 0.00 175.26 176.17 1n63 s ILE 478 N -0.83 2.26 -0.14 -3.70 -4.36 0.07 -4.88 121.20 109.62 1n63 s ILE 478 Ca 0.13 -1.89 -0.00 0.00 -0.26 0.00 0.00 60.65 58.64 1n63 s ILE 478 Cb -0.12 -2.03 -0.01 0.00 1.25 0.00 0.00 42.46 41.55 1n63 s ILE 478 CO 0.03 -0.03 -0.14 -0.32 0.24 0.00 0.00 174.94 174.72 1n63 s MET 479 N -2.37 3.31 0.16 0.37 -2.45 -1.26 -0.61 119.30 116.43 1n63 s MET 479 Ca 0.17 -0.71 0.10 0.00 -1.25 0.00 0.00 55.69 54.00 1n63 s MET 479 Cb -0.09 -2.64 -0.04 0.00 1.25 0.00 0.00 34.83 33.31 1n63 s MET 479 CO 0.08 0.11 -0.21 0.20 1.05 0.00 0.00 175.02 176.24 1n63 s GLY 480 N 0.61 1.68 -0.26 2.11 0.00 0.49 -4.26 107.32 107.68 1n63 s GLY 480 Ca -0.08 -1.50 0.03 0.00 0.00 0.00 0.00 44.72 43.16 1n63 s GLY 480 CO 0.03 -1.51 -0.11 -0.42 0.00 0.00 0.00 173.10 171.10 1n63 s ILE 481 N -1.39 2.22 -0.08 0.90 1.01 -1.26 -1.04 121.20 121.56 1n63 s ILE 481 Ca 0.19 -1.60 -0.18 0.00 0.00 0.00 0.00 60.65 59.05 1n63 s ILE 481 Cb -0.09 -2.30 -0.05 0.00 0.01 0.00 0.00 42.46 40.03 1n63 s ILE 481 CO 0.10 -0.02 0.49 -0.83 0.00 0.00 0.00 174.94 174.68 1n63 s GLY 482 N 1.12 2.45 -0.04 6.18 0.00 0.51 -4.43 107.32 113.11 1n63 s GLY 482 Ca -0.08 -0.15 0.05 0.00 0.00 0.00 0.00 44.72 44.54 1n63 s GLY 482 CO -0.05 0.67 -0.20 -0.42 0.00 0.00 0.00 173.10 173.10 1n63 s ILE 483 N 0.19 1.68 -0.11 0.90 1.01 -1.26 -0.77 121.20 122.84 1n63 s ILE 483 Ca 0.27 -0.87 -0.03 0.00 0.00 0.00 0.00 60.65 60.02 1n63 s ILE 483 Cb -0.16 -1.42 0.05 0.00 0.01 0.00 0.00 42.46 40.93 1n63 s ILE 483 CO 0.12 0.47 0.07 -0.55 0.00 0.00 0.00 174.94 175.06 1n63 s SER 484 N -0.13 1.80 -0.21 3.58 0.15 -0.20 -4.56 113.70 114.12 1n63 s SER 484 Ca -0.01 -0.29 -0.02 0.00 0.70 0.00 0.00 55.95 56.32 1n63 s SER 484 Cb -0.12 -0.21 0.01 0.00 -1.71 0.00 0.00 66.02 63.99 1n63 s SER 484 CO 0.02 -0.30 -0.09 0.12 1.20 0.00 0.00 173.24 174.19 1n63 s PHE 485 N 2.14 2.92 0.09 3.44 2.19 -1.26 -0.57 117.98 126.92 1n63 s PHE 485 Ca 0.03 -1.24 0.04 0.00 0.33 0.00 0.00 56.93 56.09 1n63 s PHE 485 Cb -0.14 -2.04 -0.03 0.00 -1.31 0.00 0.00 43.02 39.49 1n63 s PHE 485 CO -0.06 -0.66 -0.11 -0.59 1.83 0.00 0.00 175.22 175.63 1n63 s PHE 486 N 1.40 1.09 -0.21 10.12 -0.71 -0.36 -4.71 117.98 124.61 1n63 s PHE 486 Ca 0.05 -0.58 -0.01 0.00 -1.04 0.00 0.00 56.93 55.35 1n63 s PHE 486 Cb -0.14 -0.60 0.02 0.00 -1.21 0.00 0.00 43.02 41.08 1n63 s PHE 486 CO -0.07 0.02 -0.12 0.99 -1.34 0.00 0.00 175.22 174.70 1n63 s THR 487 N -2.04 2.59 0.58 -4.49 2.01 -1.26 -1.75 115.64 111.28 1n63 s THR 487 Ca 0.03 -0.88 -0.03 0.00 0.31 0.00 0.00 61.69 61.12 1n63 s THR 487 Cb -0.05 -2.19 0.03 0.00 0.01 0.00 0.00 72.50 70.29 1n63 s THR 487 CO 0.01 0.40 0.85 -1.61 -0.69 0.00 0.00 174.62 173.59 1n63 s GLU 488 N 1.34 2.66 -0.23 4.92 0.41 0.12 -4.92 118.70 122.99 1n63 s GLU 488 Ca 0.03 -0.37 -0.04 0.00 -0.41 0.00 0.00 54.97 54.18 1n63 s GLU 488 Cb -0.14 -2.36 0.08 0.00 -1.78 0.00 0.00 34.13 29.93 1n63 s GLU 488 CO -0.08 -0.76 0.11 -1.50 -0.49 0.00 0.00 175.26 172.54 1n63 s ILE 489 N -2.91 -0.09 0.03 -1.63 2.07 -1.26 -3.96 121.20 113.45 1n63 s ILE 489 Ca 0.55 -0.45 0.01 0.00 -1.41 0.00 0.00 60.65 59.36 1n63 s ILE 489 Cb -0.10 -0.77 -0.02 0.00 0.13 0.00 0.00 42.46 41.69 1n63 s ILE 489 CO 0.42 -0.50 -0.05 0.68 -1.91 0.00 0.00 174.94 173.58 1n63 s VAL 490 N 2.13 0.32 0.00 4.00 -7.23 -0.10 -4.94 120.40 114.57 1n63 s VAL 490 Ca 0.06 -0.90 0.00 0.00 -1.81 0.00 0.00 61.98 59.33 1n63 s VAL 490 Cb -0.16 -0.41 0.00 0.00 0.56 0.00 0.00 36.38 36.37 1n63 s VAL 490 CO -0.23 -0.39 0.00 0.61 -0.31 0.00 0.00 175.10 174.79 1n63 n GLY 491 N 1.69 1.85 3.68 2.32 0.00 -1.17 -0.55 105.19 113.01 1n63 n GLY 491 Ca -0.22 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.34 1n63 n GLY 491 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1n63 n ALA 492 N -0.21 1.31 0.00 4.61 0.00 -1.26 -4.66 120.51 120.30 1n63 n ALA 492 Ca 0.00 0.35 0.00 0.00 0.00 0.00 0.00 53.44 53.79 1n63 n ALA 492 Cb 0.00 -2.46 0.00 0.00 0.00 0.00 0.00 19.45 16.99 1n63 n ALA 492 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1n63 n GLY 493 N 3.98 -0.83 3.76 0.00 0.00 -0.37 -4.76 105.19 106.98 1n63 n GLY 493 Ca 0.19 -1.03 -0.39 0.00 0.00 0.00 0.00 46.02 44.80 1n63 n GLY 493 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1n63 s PRO 494 N -2.00 3.55 0.58 1.61 0.02 -1.24 -4.06 135.00 133.45 1n63 s PRO 494 Ca 0.00 2.23 0.33 0.00 0.02 0.00 0.00 61.00 63.58 1n63 s PRO 494 Cb 0.00 -2.50 1.81 0.00 0.02 0.00 0.00 34.50 33.83 1n63 s PRO 494 CO 0.00 -0.86 2.19 0.66 -0.33 0.00 0.00 177.00 178.66 1n63 h SER 495 N 2.04 0.00 -0.76 2.53 4.64 -1.80 -1.09 113.55 119.11 1n63 h SER 495 Ca -0.50 0.00 0.11 0.00 -0.47 0.00 0.00 61.79 60.93 1n63 h SER 495 Cb 1.27 0.00 -0.08 0.00 -0.31 0.00 0.00 62.40 63.28 1n63 h SER 495 CO 0.60 0.04 0.38 0.50 -0.87 0.00 0.00 176.83 177.49 1n63 h LYS 496 N 0.00 0.60 0.00 4.77 3.64 -1.94 -3.37 116.57 120.26 1n63 h LYS 496 Ca -0.00 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.34 1n63 h LYS 496 Cb 0.18 -0.13 0.00 0.00 -0.41 0.00 0.00 32.23 31.86 1n63 h LYS 496 CO 0.01 0.40 0.00 0.27 -2.27 0.00 0.00 179.45 177.85 1n63 n ASN 497 N -4.86 0.00 -4.12 4.20 0.23 -1.01 -5.04 115.26 104.66 1n63 n ASN 497 Ca 0.13 -1.00 -0.33 0.00 -0.53 0.00 0.00 54.58 52.85 1n63 n ASN 497 Cb 0.32 0.00 -0.15 0.00 -2.08 0.00 0.00 39.78 37.87 1n63 n ASN 497 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1n63 s ASP 499 N 1.25 -0.19 -0.36 0.00 -4.77 -1.26 -1.53 116.67 109.81 1n63 s ASP 499 Ca 0.01 -0.08 -0.04 0.00 -3.30 0.00 0.00 52.55 49.14 1n63 s ASP 499 Cb -0.15 0.37 0.07 0.00 -1.09 0.00 0.00 42.92 42.12 1n63 s ASP 499 CO -0.10 -0.61 0.11 -0.63 0.70 0.00 0.00 175.17 174.65 1n63 s ILE 500 N -2.34 3.36 -1.56 2.11 -1.09 0.01 -0.77 121.20 120.92 1n63 s ILE 500 Ca -0.06 -1.57 -0.13 0.00 -2.23 0.00 0.00 60.65 56.66 1n63 s ILE 500 Cb -0.01 -3.06 0.10 0.00 -1.58 0.00 0.00 42.46 37.90 1n63 s ILE 500 CO -0.02 -0.36 0.83 0.18 -1.23 0.00 0.00 174.94 174.34 1n63 n LEU 501 N 4.68 -2.26 0.00 2.97 4.77 -1.26 -1.10 117.00 124.79 1n63 n LEU 501 Ca -0.09 -0.89 0.00 0.00 -0.03 0.00 0.00 56.01 55.00 1n63 n LEU 501 Cb 0.43 -2.36 0.00 0.00 -2.33 0.00 0.00 43.42 39.16 1n63 n LEU 501 CO 0.31 0.40 0.00 0.61 -1.33 0.00 0.00 177.39 177.38 1n63 n GLY 502 N -1.62 0.95 3.59 -0.72 0.00 -1.26 -5.03 105.19 101.11 1n63 n GLY 502 Ca -0.01 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.62 1n63 n GLY 502 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1n63 s VAL 503 N -2.85 5.24 0.60 1.61 1.01 -0.26 -5.03 120.40 120.72 1n63 s VAL 503 Ca 0.00 0.33 -0.19 0.00 0.00 0.00 0.00 61.98 62.13 1n63 s VAL 503 Cb 0.00 -3.63 -0.05 0.00 0.00 0.00 0.00 36.38 32.70 1n63 s VAL 503 CO 0.00 0.17 0.99 -1.20 0.00 0.00 0.00 175.10 175.07 1n63 n SER 504 N 5.21 0.90 -2.76 3.32 7.64 -1.26 -0.81 113.62 125.87 1n63 n SER 504 Ca -0.11 0.82 -0.29 0.00 1.01 0.00 0.00 58.87 60.29 1n63 n SER 504 Cb 0.51 -1.40 -0.05 0.00 -1.01 0.00 0.00 64.21 62.25 1n63 n SER 504 CO 0.00 0.00 0.00 0.23 -3.01 0.00 0.00 175.04 172.26 1n63 n MET 505 N -1.02 3.05 -1.95 1.43 0.00 -0.58 -4.82 117.12 113.23 1n63 n MET 505 Ca 0.14 -2.50 -0.30 0.00 0.00 0.00 0.00 57.70 55.04 1n63 n MET 505 Cb 0.47 -2.30 0.18 0.00 0.00 0.00 0.00 33.22 31.57 1n63 n MET 505 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 175.97 175.38 1n63 s PHE 506 N -1.03 1.69 0.25 2.03 -0.12 -1.26 -1.24 117.98 118.30 1n63 s PHE 506 Ca 0.59 0.33 0.03 0.00 -0.05 0.00 0.00 56.93 57.82 1n63 s PHE 506 Cb 0.31 -4.05 -0.01 0.00 -0.63 0.00 0.00 43.02 38.64 1n63 s PHE 506 CO -0.15 -2.56 0.27 -3.47 -0.05 0.00 0.00 175.22 169.26 1n63 n ASP 507 N -3.71 -0.73 -3.80 1.98 -0.08 -1.01 -3.92 116.55 105.28 1n63 n ASP 507 Ca 0.15 -2.51 -0.09 0.00 -1.51 0.00 0.00 54.79 50.83 1n63 n ASP 507 Cb 0.60 1.50 -0.06 0.00 2.34 0.00 0.00 41.12 45.49 1n63 n ASP 507 CO 0.00 0.00 0.00 -0.94 0.12 0.00 0.00 177.20 176.38 1n63 s SER 508 N -2.65 -0.03 -0.08 1.67 1.04 -1.26 -0.19 113.70 112.19 1n63 s SER 508 Ca 0.26 -0.58 -0.12 0.00 0.48 0.00 0.00 55.95 55.98 1n63 s SER 508 Cb 0.00 0.42 0.03 0.00 0.10 0.00 0.00 66.02 66.57 1n63 s SER 508 CO 0.18 -0.82 0.32 0.00 0.98 0.00 0.00 173.24 173.90 1n63 s ALA 509 N -3.86 -0.78 -0.06 5.32 0.00 -0.67 -2.18 121.76 119.53 1n63 s ALA 509 Ca 0.07 0.69 0.02 0.00 0.00 0.00 0.00 51.96 52.74 1n63 s ALA 509 Cb 0.03 -0.32 0.02 0.00 0.00 0.00 0.00 23.12 22.85 1n63 s ALA 509 CO -0.09 -0.19 -0.09 -2.00 0.00 0.00 0.00 175.76 173.39 1n63 s GLU 510 N -0.37 1.37 -0.07 0.00 2.12 0.18 -1.08 118.70 120.85 1n63 s GLU 510 Ca -0.05 -0.30 0.02 0.00 0.36 0.00 0.00 54.97 55.00 1n63 s GLU 510 Cb -0.03 -1.18 0.01 0.00 0.26 0.00 0.00 34.13 33.19 1n63 s GLU 510 CO 0.02 -0.01 -0.13 0.42 -0.54 0.00 0.00 175.26 175.02 1n63 s ILE 511 N 0.73 1.19 -0.10 -3.70 1.01 0.22 -0.92 121.20 119.64 1n63 s ILE 511 Ca -0.13 -0.51 0.00 0.00 0.00 0.00 0.00 60.65 60.01 1n63 s ILE 511 Cb -0.15 -1.09 0.02 0.00 0.01 0.00 0.00 42.46 41.25 1n63 s ILE 511 CO 0.02 0.37 -0.09 -0.60 0.00 0.00 0.00 174.94 174.65 1n63 s ARG 512 N 0.69 1.54 -0.15 2.79 3.52 -0.17 -0.95 118.95 126.22 1n63 s ARG 512 Ca -0.14 -0.29 -0.13 0.00 -0.13 0.00 0.00 55.73 55.04 1n63 s ARG 512 Cb -0.16 -1.50 -0.05 0.00 -1.56 0.00 0.00 34.95 31.69 1n63 s ARG 512 CO 0.03 -0.18 0.28 0.42 -0.81 0.00 0.00 175.30 175.05 1n63 s ILE 513 N 1.38 5.31 0.66 4.11 1.01 -0.37 -1.63 121.20 131.66 1n63 s ILE 513 Ca -0.01 0.53 -0.08 0.00 0.00 0.00 0.00 60.65 61.08 1n63 s ILE 513 Cb -0.14 -3.62 0.02 0.00 0.01 0.00 0.00 42.46 38.74 1n63 s ILE 513 CO -0.04 0.41 1.00 -1.00 0.00 0.00 0.00 174.94 175.31 1n63 s HIS 514 N 0.31 3.23 0.40 3.97 3.76 0.24 -4.50 115.29 122.70 1n63 s HIS 514 Ca 0.16 0.79 0.10 0.00 -0.15 0.00 0.00 55.06 55.96 1n63 s HIS 514 Cb -0.13 -2.95 0.90 0.00 1.11 0.00 0.00 32.58 31.51 1n63 s HIS 514 CO 0.04 -1.07 1.98 -1.35 -0.85 0.00 0.00 174.74 173.49 1n63 h PRO 515 N -0.45 0.54 -0.24 8.40 0.11 -1.87 -0.69 132.00 137.80 1n63 h PRO 515 Ca -0.45 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.63 1n63 h PRO 515 Cb 1.26 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 32.25 1n63 h PRO 515 CO 0.62 0.36 0.00 0.25 -0.21 0.00 0.00 178.00 179.02 1n63 n THR 516 N -4.48 0.30 0.00 -1.15 -2.24 -1.26 -3.20 114.28 102.25 1n63 n THR 516 Ca 0.09 -0.46 0.00 0.00 -2.27 0.00 0.00 64.05 61.41 1n63 n THR 516 Cb 0.27 0.52 0.00 0.00 -2.10 0.00 0.00 70.33 69.02 1n63 n THR 516 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1n63 n GLY 517 N 1.22 0.40 3.94 3.38 0.00 -0.26 -5.02 105.19 108.86 1n63 n GLY 517 Ca 0.17 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.93 1n63 n GLY 517 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1n63 s SER 518 N -2.50 4.58 0.00 1.61 1.04 -1.26 -4.80 113.70 112.38 1n63 s SER 518 Ca 0.00 0.29 -0.00 0.00 0.48 0.00 0.00 55.95 56.72 1n63 s SER 518 Cb 0.00 -0.85 -0.00 0.00 0.10 0.00 0.00 66.02 65.27 1n63 s SER 518 CO 0.00 -1.74 0.00 -0.69 0.98 0.00 0.00 173.24 171.80 1n63 s VAL 519 N -3.28 0.02 -0.16 5.02 1.01 -0.11 -0.59 120.40 122.32 1n63 s VAL 519 Ca 0.62 -0.16 -0.00 0.00 0.00 0.00 0.00 61.98 62.44 1n63 s VAL 519 Cb -0.09 -0.06 -0.01 0.00 0.00 0.00 0.00 36.38 36.22 1n63 s VAL 519 CO 0.45 -0.09 -0.13 -0.51 0.00 0.00 0.00 175.10 174.82 1n63 s ILE 520 N -0.26 2.90 0.00 2.22 1.10 -0.65 -0.58 121.20 125.94 1n63 s ILE 520 Ca -0.03 -0.69 0.02 0.00 -0.51 0.00 0.00 60.65 59.44 1n63 s ILE 520 Cb -0.02 -2.24 -0.01 0.00 0.15 0.00 0.00 42.46 40.35 1n63 s ILE 520 CO -0.00 0.51 -0.07 0.00 -2.11 0.00 0.00 174.94 173.27 1n63 s ALA 521 N 0.75 0.55 0.08 1.50 0.00 -0.10 -1.00 121.76 123.54 1n63 s ALA 521 Ca -0.05 -0.36 0.04 0.00 0.00 0.00 0.00 51.96 51.58 1n63 s ALA 521 Cb -0.15 -0.11 -0.03 0.00 0.00 0.00 0.00 23.12 22.83 1n63 s ALA 521 CO 0.01 0.11 -0.10 1.03 0.00 0.00 0.00 175.76 176.81 1n63 s ARG 522 N -0.40 0.77 0.14 0.00 0.52 -0.10 -1.13 118.95 118.76 1n63 s ARG 522 Ca 0.01 -1.05 0.01 0.00 -0.52 0.00 0.00 55.73 54.18 1n63 s ARG 522 Cb -0.04 -0.51 -0.04 0.00 0.52 0.00 0.00 34.95 34.87 1n63 s ARG 522 CO -0.00 0.09 -0.01 -1.64 0.02 0.00 0.00 175.30 173.75 1n63 s MET 523 N -2.42 1.00 0.00 3.54 -1.94 -1.08 -0.64 119.30 117.75 1n63 s MET 523 Ca 0.01 -1.46 0.17 0.00 -1.71 0.00 0.00 55.69 52.71 1n63 s MET 523 Cb -0.05 -0.18 0.52 0.00 2.01 0.00 0.00 34.83 37.13 1n63 s MET 523 CO 0.00 -0.11 1.42 0.41 -0.01 0.00 0.00 175.02 176.73 1n63 n GLY 524 N -0.16 0.88 3.39 -0.03 0.00 -0.93 -4.53 105.19 103.82 1n63 n GLY 524 Ca -0.08 -0.49 -0.22 0.00 0.00 0.00 0.00 46.02 45.23 1n63 n GLY 524 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1n63 n THR 525 N 0.72 0.00 -3.30 2.61 -2.24 -1.26 -2.48 114.28 108.33 1n63 n THR 525 Ca 0.16 -1.25 -0.07 0.00 -2.27 0.00 0.00 64.05 60.62 1n63 n THR 525 Cb 0.39 -1.11 -0.06 0.00 -2.10 0.00 0.00 70.33 67.45 1n63 n THR 525 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 1n63 s LYS 526 N -4.97 0.41 0.50 -0.78 2.47 -1.26 -4.21 119.74 111.90 1n63 s LYS 526 Ca 0.60 0.44 -0.22 0.00 -1.56 0.00 0.00 55.97 55.22 1n63 s LYS 526 Cb -0.03 -0.26 -0.07 0.00 -1.46 0.00 0.00 37.83 36.01 1n63 s LYS 526 CO 0.40 -0.81 1.19 0.45 0.16 0.00 0.00 175.35 176.75 1n63 n SER 527 N 5.37 2.02 -1.74 1.43 2.88 -1.26 -4.40 113.62 117.92 1n63 n SER 527 Ca -0.01 0.99 -0.07 0.00 -1.33 0.00 0.00 58.87 58.44 1n63 n SER 527 Cb 0.50 -1.48 0.08 0.00 -0.75 0.00 0.00 64.21 62.56 1n63 n SER 527 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1n63 n GLN 528 N -0.52 2.21 0.00 -1.46 3.00 -1.26 -4.59 117.38 114.76 1n63 n GLN 528 Ca 0.10 -3.52 0.00 0.00 -0.01 0.00 0.00 57.00 53.57 1n63 n GLN 528 Cb 0.43 -1.66 0.00 0.00 0.00 0.00 0.00 30.24 29.01 1n63 n GLN 528 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1n63 n GLY 529 N -0.63 0.96 0.00 1.08 0.00 -1.26 -3.16 105.19 102.17 1n63 n GLY 529 Ca 0.25 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.40 1n63 n GLY 529 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1n63 n GLN 530 N 0.00 0.97 -0.69 1.61 3.00 -1.26 -4.90 117.38 116.11 1n63 n GLN 530 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.99 1n63 n GLN 530 Cb 0.00 -1.42 0.00 0.00 0.00 0.00 0.00 30.24 28.82 1n63 n GLN 530 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1n63 n GLY 531 N 0.86 0.63 0.37 1.08 0.00 -1.26 -4.96 105.19 101.92 1n63 n GLY 531 Ca 0.19 -0.69 0.01 0.00 0.00 0.00 0.00 46.02 45.53 1n63 n GLY 531 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 173.32 173.77 1n63 h HIS 532 N 0.00 1.23 0.00 1.61 3.86 -1.98 -0.42 115.15 119.45 1n63 h HIS 532 Ca 0.00 0.03 -0.00 0.00 -1.16 0.00 0.00 60.37 59.24 1n63 h HIS 532 Cb 0.05 -0.41 -0.00 0.00 1.06 0.00 0.00 27.41 28.11 1n63 h HIS 532 CO 0.00 0.69 -0.02 0.93 0.86 0.00 0.00 177.93 180.40 1n63 h GLU 533 N 1.25 0.00 0.00 2.45 5.08 -1.93 -0.99 114.58 120.45 1n63 h GLU 533 Ca 0.41 0.00 -0.15 0.00 -1.00 0.00 0.00 59.36 58.62 1n63 h GLU 533 Cb 0.03 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.26 1n63 h GLU 533 CO -0.13 0.02 -0.99 1.15 -1.00 0.00 0.00 179.01 178.06 1n63 h THR 534 N 0.00 0.61 -0.01 1.13 2.02 -1.53 -3.41 112.91 111.73 1n63 h THR 534 Ca -0.00 -1.78 -0.25 0.00 0.77 0.00 0.00 66.41 65.15 1n63 h THR 534 Cb 0.16 1.47 0.02 0.00 -1.74 0.00 0.00 68.15 68.06 1n63 h THR 534 CO 0.00 0.21 -1.00 0.71 0.37 0.00 0.00 175.52 175.80 1n63 h THR 535 N -1.00 1.31 -0.64 3.16 1.35 -1.03 -2.99 112.91 113.07 1n63 h THR 535 Ca -0.23 -2.28 0.05 0.00 -0.55 0.00 0.00 66.41 63.40 1n63 h THR 535 Cb 1.02 2.37 -0.04 0.00 -1.73 0.00 0.00 68.15 69.77 1n63 h THR 535 CO -0.14 0.70 0.42 1.88 -0.25 0.00 0.00 175.52 178.14 1n63 h TYR 536 N 0.36 0.68 -0.35 4.73 0.05 -1.44 -1.34 116.97 119.66 1n63 h TYR 536 Ca -0.11 0.02 -0.04 0.00 0.05 0.00 0.00 58.73 58.64 1n63 h TYR 536 Cb 1.65 -0.23 -0.02 0.00 1.01 0.00 0.00 36.73 39.15 1n63 h TYR 536 CO 0.09 0.38 0.04 0.00 -1.05 0.00 0.00 178.16 177.61 1n63 h ALA 537 N 1.64 1.41 -0.88 3.88 0.00 -1.73 -2.37 119.26 121.21 1n63 h ALA 537 Ca 0.27 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 1n63 h ALA 537 Cb 0.19 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 17.79 1n63 h ALA 537 CO -0.08 0.42 0.49 1.96 0.00 0.00 0.00 179.25 182.04 1n63 h GLN 538 N 0.52 1.21 -0.05 0.00 4.20 -1.11 0.59 115.11 120.47 1n63 h GLN 538 Ca 0.12 -0.13 -0.00 0.00 0.06 0.00 0.00 58.65 58.69 1n63 h GLN 538 Cb 0.28 -0.24 -0.00 0.00 0.30 0.00 0.00 27.48 27.82 1n63 h GLN 538 CO 0.00 0.88 0.02 0.82 -0.67 0.00 0.00 178.83 179.88 1n63 h ILE 539 N 1.22 1.13 -0.53 2.54 2.04 -1.14 -2.53 117.51 120.23 1n63 h ILE 539 Ca 0.31 -0.39 -0.04 0.00 1.00 0.00 0.00 64.86 65.73 1n63 h ILE 539 Cb 0.01 1.30 -0.02 0.00 -0.74 0.00 0.00 36.82 37.37 1n63 h ILE 539 CO -0.05 0.11 0.16 0.40 0.00 0.00 0.00 178.15 178.77 1n63 h ILE 540 N -0.07 1.24 -0.76 -0.67 2.04 -1.31 -2.28 117.51 115.70 1n63 h ILE 540 Ca 0.02 -0.80 0.09 0.00 1.00 0.00 0.00 64.86 65.16 1n63 h ILE 540 Cb 0.16 0.75 -0.07 0.00 -0.74 0.00 0.00 36.82 36.91 1n63 h ILE 540 CO -0.00 0.30 0.42 0.00 0.00 0.00 0.00 178.15 178.87 1n63 h ALA 541 N 1.03 1.07 -0.23 1.87 0.00 -0.74 -0.69 119.26 121.56 1n63 h ALA 541 Ca 0.17 0.03 -0.15 0.00 0.00 0.00 0.00 54.91 54.97 1n63 h ALA 541 Cb 0.29 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.97 1n63 h ALA 541 CO -0.00 0.06 -0.44 1.15 0.00 0.00 0.00 179.25 180.01 1n63 h THR 542 N 0.73 1.31 -0.82 0.00 2.02 -1.31 0.12 112.91 114.96 1n63 h THR 542 Ca 0.36 -1.65 -0.02 0.00 0.77 0.00 0.00 66.41 65.88 1n63 h THR 542 Cb 0.32 1.78 -0.04 0.00 -1.74 0.00 0.00 68.15 68.47 1n63 h THR 542 CO -0.24 0.52 0.45 -0.33 0.37 0.00 0.00 175.52 176.29 1n63 h GLU 543 N 0.42 1.14 -0.00 6.66 4.39 -0.90 -3.31 114.58 122.97 1n63 h GLU 543 Ca 0.01 -0.13 0.00 0.00 0.34 0.00 0.00 59.36 59.58 1n63 h GLU 543 Cb 1.04 -0.22 0.00 0.00 -0.10 0.00 0.00 28.75 29.46 1n63 h GLU 543 CO 0.10 0.84 -0.42 1.28 -1.16 0.00 0.00 179.01 179.64 1n63 n LEU 544 N -4.34 0.82 -2.87 1.33 4.77 -0.31 -4.92 117.00 111.46 1n63 n LEU 544 Ca 0.09 -0.60 -0.21 0.00 -0.03 0.00 0.00 56.01 55.26 1n63 n LEU 544 Cb 0.10 0.00 0.04 0.00 -2.33 0.00 0.00 43.42 41.23 1n63 n LEU 544 CO 0.38 0.18 0.01 0.61 -1.33 0.00 0.00 177.39 177.24 1n63 n GLY 545 N 1.15 -0.45 3.40 -0.72 0.00 0.41 -4.76 105.19 104.23 1n63 n GLY 545 Ca 0.03 0.08 -0.34 0.00 0.00 0.00 0.00 46.02 45.79 1n63 n GLY 545 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1n63 s ILE 546 N -3.15 3.56 0.46 -0.61 1.01 -1.17 -4.73 121.20 116.57 1n63 s ILE 546 Ca 0.29 -0.46 -0.23 0.00 0.00 0.00 0.00 60.65 60.25 1n63 s ILE 546 Cb -0.13 -2.57 -0.09 0.00 0.01 0.00 0.00 42.46 39.67 1n63 s ILE 546 CO 0.36 0.47 1.05 -2.65 0.00 0.00 0.00 174.94 174.17 1n63 n PRO 547 N 4.05 1.37 -0.19 2.79 -0.02 -1.26 -4.15 135.00 137.59 1n63 n PRO 547 Ca -0.18 0.50 0.07 0.00 -2.02 0.00 0.00 63.50 61.87 1n63 n PRO 547 Cb 0.52 -2.13 0.36 0.00 -0.02 0.00 0.00 33.50 32.22 1n63 n PRO 547 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1n63 h ALA 548 N 1.43 1.72 0.00 3.55 0.00 -1.39 0.11 119.26 124.67 1n63 h ALA 548 Ca -0.46 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.43 1n63 h ALA 548 Cb 1.33 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.94 1n63 h ALA 548 CO 0.56 0.16 0.00 -0.44 0.00 0.00 0.00 179.25 179.53 1n63 h ASP 549 N 0.75 0.00 -0.41 0.00 3.32 -1.89 -2.04 116.42 116.14 1n63 h ASP 549 Ca 0.32 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.37 1n63 h ASP 549 Cb 0.30 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.85 1n63 h ASP 549 CO -0.11 0.00 0.00 0.47 -1.72 0.00 0.00 179.24 177.88 1n63 n ASP 550 N -2.75 2.45 -4.17 6.45 8.00 0.37 -4.85 116.55 122.05 1n63 n ASP 550 Ca -0.00 -2.07 -0.30 0.00 0.71 0.00 0.00 54.79 53.13 1n63 n ASP 550 Cb 0.17 -0.32 -0.17 0.00 -0.02 0.00 0.00 41.12 40.78 1n63 n ASP 550 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1n63 s ILE 551 N -1.51 1.80 -0.20 0.53 1.01 -0.77 -0.93 121.20 121.14 1n63 s ILE 551 Ca 0.29 -0.87 -0.06 0.00 0.00 0.00 0.00 60.65 60.01 1n63 s ILE 551 Cb 0.16 -1.57 -0.03 0.00 0.01 0.00 0.00 42.46 41.03 1n63 s ILE 551 CO 0.18 0.50 0.02 -0.32 0.00 0.00 0.00 174.94 175.33 1n63 s MET 552 N 0.42 3.74 -0.10 2.79 -2.45 0.26 -4.97 119.30 118.98 1n63 s MET 552 Ca -0.17 -0.46 -0.03 0.00 -1.25 0.00 0.00 55.69 53.78 1n63 s MET 552 Cb -0.17 -3.13 -0.03 0.00 1.25 0.00 0.00 34.83 32.74 1n63 s MET 552 CO 0.07 0.10 0.02 0.42 1.05 0.00 0.00 175.02 176.68 1n63 s ILE 553 N 0.81 4.50 0.06 10.11 -1.09 -1.26 -0.93 121.20 133.40 1n63 s ILE 553 Ca 0.02 -0.17 0.02 0.00 -2.23 0.00 0.00 60.65 58.29 1n63 s ILE 553 Cb -0.14 -2.92 -0.03 0.00 -1.58 0.00 0.00 42.46 37.79 1n63 s ILE 553 CO 0.02 0.59 -0.08 -1.61 -1.23 0.00 0.00 174.94 172.64 1n63 s GLU 554 N -0.74 0.62 0.04 2.79 2.02 -0.28 -4.88 118.70 118.27 1n63 s GLU 554 Ca 0.12 -0.92 -0.10 0.00 0.02 0.00 0.00 54.97 54.08 1n63 s GLU 554 Cb -0.12 -0.28 0.01 0.00 0.10 0.00 0.00 34.13 33.84 1n63 s GLU 554 CO 0.02 0.04 0.22 -1.21 0.02 0.00 0.00 175.26 174.35 1n63 s GLU 555 N -2.20 0.72 0.00 1.61 2.02 -1.26 -2.63 118.70 116.95 1n63 s GLU 555 Ca -0.04 -0.61 0.00 0.00 0.02 0.00 0.00 54.97 54.34 1n63 s GLU 555 Cb -0.06 0.30 0.00 0.00 0.10 0.00 0.00 34.13 34.47 1n63 s GLU 555 CO -0.01 -0.21 0.00 0.41 0.02 0.00 0.00 175.26 175.47 1n63 n GLY 556 N 0.66 0.47 3.33 -1.39 0.00 -1.26 -4.89 105.19 102.10 1n63 n GLY 556 Ca -0.19 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.45 1n63 n GLY 556 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1n63 s ASN 557 N -2.69 5.43 0.23 1.61 3.84 -1.26 -0.72 114.94 121.38 1n63 s ASN 557 Ca 0.00 -0.97 0.23 0.00 0.21 0.00 0.00 52.86 52.33 1n63 s ASN 557 Cb 0.00 -1.93 0.94 0.00 -0.55 0.00 0.00 41.25 39.71 1n63 s ASN 557 CO 0.00 -0.31 1.70 0.35 -2.79 0.00 0.00 177.10 176.05 1n63 n THR 558 N 4.90 0.80 0.15 -5.21 -2.24 -0.47 -0.99 114.28 111.22 1n63 n THR 558 Ca -0.13 0.17 0.02 0.00 -2.27 0.00 0.00 64.05 61.84 1n63 n THR 558 Cb 0.46 -1.07 0.19 0.00 -2.10 0.00 0.00 70.33 67.80 1n63 n THR 558 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 1n63 h ASP 559 N 0.00 0.00 0.00 3.42 3.32 -1.89 -3.39 116.42 117.88 1n63 h ASP 559 Ca 0.00 0.00 -0.12 0.00 0.02 0.00 0.00 57.03 56.93 1n63 h ASP 559 Cb 0.40 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.93 1n63 h ASP 559 CO 0.00 0.52 -1.46 0.35 -1.72 0.00 0.00 179.24 176.93 1n63 n THR 560 N -3.50 0.46 -2.41 0.35 -2.24 -0.54 -5.01 114.28 101.39 1n63 n THR 560 Ca 0.00 -0.17 -0.37 0.00 -2.27 0.00 0.00 64.05 61.24 1n63 n THR 560 Cb 0.63 -0.86 -0.03 0.00 -2.10 0.00 0.00 70.33 67.97 1n63 n THR 560 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1n63 s ALA 561 N -2.16 3.09 0.70 6.98 0.00 -0.16 -5.01 121.76 125.20 1n63 s ALA 561 Ca -0.11 0.83 -0.15 0.00 0.00 0.00 0.00 51.96 52.53 1n63 s ALA 561 Cb 0.03 -3.33 0.02 0.00 0.00 0.00 0.00 23.12 19.85 1n63 s ALA 561 CO 0.18 -0.40 1.19 -1.25 0.00 0.00 0.00 175.76 175.49 1n63 s PRO 562 N -2.46 2.33 0.24 0.00 0.04 -1.26 -4.83 135.00 129.07 1n63 s PRO 562 Ca 0.58 1.72 -0.30 0.00 0.04 0.00 0.00 61.00 63.04 1n63 s PRO 562 Cb -0.26 -1.86 -0.11 0.00 0.04 0.00 0.00 34.50 32.31 1n63 s PRO 562 CO 0.32 -1.68 1.52 -0.47 0.04 0.00 0.00 177.00 176.74 1n63 s TYR 563 N -1.99 2.95 0.34 0.56 6.14 -1.26 -3.89 117.35 120.19 1n63 s TYR 563 Ca 0.74 0.84 -0.02 0.00 0.64 0.00 0.00 57.07 59.27 1n63 s TYR 563 Cb -0.28 -3.93 -0.00 0.00 0.42 0.00 0.00 41.96 38.17 1n63 s TYR 563 CO 0.43 -3.16 0.46 0.20 0.64 0.00 0.00 175.55 174.12 1n63 s GLY 564 N 0.60 1.55 0.00 8.97 0.00 -1.25 -4.39 107.32 112.80 1n63 s GLY 564 Ca 0.63 -1.56 0.24 0.00 0.00 0.00 0.00 44.72 44.03 1n63 s GLY 564 CO 0.42 -1.04 1.22 1.04 0.00 0.00 0.00 173.10 174.74 1n63 n LEU 565 N -0.57 2.57 0.00 0.66 7.99 -1.23 -4.39 117.00 122.03 1n63 n LEU 565 Ca 0.01 -0.88 0.00 0.00 -0.01 0.00 0.00 56.01 55.13 1n63 n LEU 565 Cb 0.62 -0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.92 1n63 n LEU 565 CO 0.30 0.44 0.00 0.61 -1.51 0.00 0.00 177.39 177.23 1n63 n GLY 566 N 1.37 -3.44 3.26 -0.72 0.00 -1.03 -4.74 105.19 99.88 1n63 n GLY 566 Ca 0.12 -2.09 -0.36 0.00 0.00 0.00 0.00 46.02 43.69 1n63 n GLY 566 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1n63 s THR 567 N -0.65 3.48 0.12 2.61 2.01 -0.40 -4.63 115.64 118.17 1n63 s THR 567 Ca 0.00 -1.02 -0.25 0.00 0.31 0.00 0.00 61.69 60.72 1n63 s THR 567 Cb 0.00 -2.88 0.08 0.00 0.01 0.00 0.00 72.50 69.71 1n63 s THR 567 CO 0.00 -0.00 1.07 -0.72 -0.69 0.00 0.00 174.62 174.28 1n63 s TYR 568 N 1.39 -0.05 -1.71 4.92 -0.85 -1.26 -4.80 117.35 114.99 1n63 s TYR 568 Ca -0.01 -0.23 0.00 0.00 -0.52 0.00 0.00 57.07 56.31 1n63 s TYR 568 Cb -0.18 0.63 0.00 0.00 0.38 0.00 0.00 41.96 42.79 1n63 s TYR 568 CO 0.00 -0.71 0.00 0.41 -1.52 0.00 0.00 175.55 173.73 1n63 n GLY 569 N -0.56 1.55 3.70 5.49 0.00 -1.26 -1.74 105.19 112.38 1n63 n GLY 569 Ca -0.05 -0.04 -0.28 0.00 0.00 0.00 0.00 46.02 45.65 1n63 n GLY 569 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1n63 n SER 570 N -1.19 -4.16 -0.01 1.61 7.64 -1.26 -3.04 113.62 113.20 1n63 n SER 570 Ca -0.16 -0.64 0.12 0.00 1.01 0.00 0.00 58.87 59.20 1n63 n SER 570 Cb 0.62 -3.38 0.22 0.00 -1.01 0.00 0.00 64.21 60.66 1n63 n SER 570 CO 0.00 0.00 0.00 -2.11 -3.01 0.00 0.00 175.04 169.92 1n63 n ARG 571 N -4.20 0.04 -0.09 1.43 1.85 -0.71 -4.21 116.66 110.77 1n63 n ARG 571 Ca 0.02 -0.02 -0.10 0.00 -1.00 0.00 0.00 57.85 56.75 1n63 n ARG 571 Cb 0.53 -1.50 -0.03 0.00 -1.05 0.00 0.00 32.46 30.41 1n63 n ARG 571 CO 0.00 0.00 0.00 0.77 -0.01 0.00 0.00 177.63 178.39 1n63 h SER 572 N 0.05 0.41 -0.29 2.89 0.02 -1.87 -0.12 113.55 114.65 1n63 h SER 572 Ca 0.00 -0.20 -0.06 0.00 -0.84 0.00 0.00 61.79 60.70 1n63 h SER 572 Cb 0.50 -0.11 -0.01 0.00 0.14 0.00 0.00 62.40 62.92 1n63 h SER 572 CO 0.00 0.50 -0.04 0.74 -1.14 0.00 0.00 176.83 176.89 1n63 h THR 573 N 0.31 1.27 -0.47 -2.27 2.02 -1.93 0.51 112.91 112.35 1n63 h THR 573 Ca 0.09 -1.03 -0.02 0.00 0.77 0.00 0.00 66.41 66.23 1n63 h THR 573 Cb 0.23 1.36 -0.02 0.00 -1.74 0.00 0.00 68.15 67.98 1n63 h THR 573 CO -0.00 0.33 0.22 -0.65 0.37 0.00 0.00 175.52 175.78 1n63 h PRO 574 N 0.31 0.66 0.00 6.66 0.11 -1.74 -2.85 132.00 135.15 1n63 h PRO 574 Ca 0.08 -0.08 0.00 0.00 0.11 0.00 0.00 66.00 66.11 1n63 h PRO 574 Cb 0.50 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 31.48 1n63 h PRO 574 CO 0.02 0.52 0.00 0.25 -0.21 0.00 0.00 178.00 178.59 1n63 n THR 575 N -4.38 0.00 0.22 -1.15 -2.24 -0.07 -4.03 114.28 102.62 1n63 n THR 575 Ca 0.04 0.30 0.07 0.00 -2.27 0.00 0.00 64.05 62.18 1n63 n THR 575 Cb 0.13 -1.27 0.49 0.00 -2.10 0.00 0.00 70.33 67.58 1n63 n THR 575 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1n63 h ALA 576 N -1.52 1.29 -0.60 6.98 0.00 -1.51 -0.30 119.26 123.60 1n63 h ALA 576 Ca 0.00 -0.25 -0.10 0.00 0.00 0.00 0.00 54.91 54.56 1n63 h ALA 576 Cb 0.00 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 1n63 h ALA 576 CO 0.00 0.34 -0.03 0.78 0.00 0.00 0.00 179.25 180.34 1n63 h GLY 577 N 1.21 1.16 0.92 0.00 0.00 -0.71 0.14 103.07 105.80 1n63 h GLY 577 Ca -0.00 -0.88 -0.01 0.00 0.00 0.00 0.00 47.33 46.44 1n63 h GLY 577 CO 0.04 0.81 -0.12 0.00 0.00 0.00 0.00 176.54 177.26 1n63 h ALA 578 N 0.97 -0.34 -0.92 3.60 0.00 -1.26 -2.47 119.26 118.83 1n63 h ALA 578 Ca 0.17 -0.11 0.10 0.00 0.00 0.00 0.00 54.91 55.07 1n63 h ALA 578 Cb 0.60 0.13 -0.07 0.00 0.00 0.00 0.00 17.79 18.45 1n63 h ALA 578 CO 0.04 -0.65 0.59 0.00 0.00 0.00 0.00 179.25 179.23 1n63 h ALA 579 N 0.30 1.59 -0.31 0.00 0.00 -0.78 -0.23 119.26 119.83 1n63 h ALA 579 Ca -0.04 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1n63 h ALA 579 Cb 0.32 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 1n63 h ALA 579 CO 0.06 0.22 0.20 1.15 0.00 0.00 0.00 179.25 180.88 1n63 h THR 580 N 0.94 1.07 -0.43 0.00 2.02 -0.58 0.38 112.91 116.32 1n63 h THR 580 Ca 0.43 -0.14 -0.05 0.00 0.77 0.00 0.00 66.41 67.41 1n63 h THR 580 Cb 0.39 0.63 -0.02 0.00 -1.74 0.00 0.00 68.15 67.41 1n63 h THR 580 CO -0.19 0.07 0.06 0.00 0.37 0.00 0.00 175.52 175.83 1n63 h ALA 581 N 1.12 0.57 -0.49 6.16 0.00 -0.94 -1.03 119.26 124.65 1n63 h ALA 581 Ca 0.11 -0.23 -0.09 0.00 0.00 0.00 0.00 54.91 54.70 1n63 h ALA 581 Cb -0.04 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.57 1n63 h ALA 581 CO -0.03 0.31 -0.05 0.28 0.00 0.00 0.00 179.25 179.76 1n63 h VAL 582 N 0.58 1.27 -0.55 0.00 2.07 -0.84 0.27 116.25 119.05 1n63 h VAL 582 Ca 0.13 -1.16 -0.07 0.00 0.82 0.00 0.00 66.70 66.42 1n63 h VAL 582 Cb 0.40 1.03 -0.02 0.00 -1.52 0.00 0.00 31.29 31.18 1n63 h VAL 582 CO 0.01 0.40 0.06 0.00 0.02 0.00 0.00 177.57 178.06 1n63 h ALA 583 N 0.91 1.08 -0.31 1.67 0.00 -0.88 -1.39 119.26 120.34 1n63 h ALA 583 Ca 0.13 -0.25 -0.13 0.00 0.00 0.00 0.00 54.91 54.66 1n63 h ALA 583 Cb 0.58 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 1n63 h ALA 583 CO 0.04 0.59 -0.33 0.00 0.00 0.00 0.00 179.25 179.55 1n63 h ALA 584 N 1.22 0.85 0.00 0.00 0.00 -0.96 -1.96 119.26 118.41 1n63 h ALA 584 Ca 0.17 -0.41 -0.07 0.00 0.00 0.00 0.00 54.91 54.60 1n63 h ALA 584 Cb 0.41 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 1n63 h ALA 584 CO 0.01 0.64 -0.33 0.00 0.00 0.00 0.00 179.25 179.57 1n63 h ARG 585 N 0.57 0.00 -0.57 0.00 3.08 -0.56 0.16 114.38 117.06 1n63 h ARG 585 Ca 0.06 0.00 -0.04 0.00 0.07 0.00 0.00 59.98 60.07 1n63 h ARG 585 Cb 0.84 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.86 1n63 h ARG 585 CO 0.07 0.33 0.20 0.87 -1.07 0.00 0.00 179.97 180.37 1n63 h LYS 586 N 0.00 0.87 -0.76 0.04 1.57 -0.54 -1.04 116.57 116.70 1n63 h LYS 586 Ca -0.00 -0.17 -0.06 0.00 -1.87 0.00 0.00 60.65 58.55 1n63 h LYS 586 Cb 0.65 -0.13 -0.03 0.00 0.08 0.00 0.00 32.23 32.79 1n63 h LYS 586 CO 0.04 0.77 0.26 0.82 -0.57 0.00 0.00 179.45 180.77 1n63 h ILE 587 N 0.79 1.26 -0.81 1.86 2.04 -0.82 -2.33 117.51 119.49 1n63 h ILE 587 Ca 0.19 -0.89 -0.02 0.00 1.00 0.00 0.00 64.86 65.13 1n63 h ILE 587 Cb 0.25 0.40 -0.04 0.00 -0.74 0.00 0.00 36.82 36.69 1n63 h ILE 587 CO -0.01 0.36 0.42 0.50 0.00 0.00 0.00 178.15 179.41 1n63 h LYS 588 N 1.13 1.15 -0.71 2.37 3.64 -0.79 0.15 116.57 123.52 1n63 h LYS 588 Ca 0.25 -0.15 -0.07 0.00 -1.27 0.00 0.00 60.65 59.41 1n63 h LYS 588 Cb 0.29 -0.22 -0.03 0.00 -0.41 0.00 0.00 32.23 31.86 1n63 h LYS 588 CO -0.01 0.87 0.17 0.00 -2.27 0.00 0.00 179.45 178.21 1n63 h ALA 589 N 1.22 0.96 -0.48 5.00 0.00 -0.91 0.24 119.26 125.28 1n63 h ALA 589 Ca 0.28 -0.25 -0.13 0.00 0.00 0.00 0.00 54.91 54.81 1n63 h ALA 589 Cb 0.08 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.58 1n63 h ALA 589 CO -0.04 0.67 -0.22 -0.22 0.00 0.00 0.00 179.25 179.43 1n63 h LYS 590 N 1.08 1.00 -0.88 0.00 3.64 -0.90 -2.52 116.57 118.00 1n63 h LYS 590 Ca 0.22 -0.43 0.00 0.00 -1.27 0.00 0.00 60.65 59.17 1n63 h LYS 590 Cb 0.38 -0.03 -0.04 0.00 -0.41 0.00 0.00 32.23 32.12 1n63 h LYS 590 CO 0.00 1.11 0.55 0.00 -2.27 0.00 0.00 179.45 178.85 1n63 h ALA 591 N 0.86 1.31 -0.88 5.00 0.00 -0.65 -0.72 119.26 124.19 1n63 h ALA 591 Ca 0.11 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 1n63 h ALA 591 Cb 0.81 -0.36 -0.04 0.00 0.00 0.00 0.00 17.79 18.20 1n63 h ALA 591 CO 0.07 0.61 0.50 0.37 0.00 0.00 0.00 179.25 180.80 1n63 h GLN 592 N 1.21 1.22 -0.67 0.00 4.15 -0.70 0.47 115.11 120.79 1n63 h GLN 592 Ca 0.32 -0.13 -0.06 0.00 0.77 0.00 0.00 58.65 59.55 1n63 h GLN 592 Cb -0.09 -0.25 -0.03 0.00 0.21 0.00 0.00 27.48 27.33 1n63 h GLN 592 CO -0.06 0.88 0.20 0.52 -1.93 0.00 0.00 178.83 178.44 1n63 h MET 593 N 1.23 1.05 -0.56 1.69 2.86 -0.88 -1.00 114.93 119.32 1n63 h MET 593 Ca 0.31 -0.23 -0.09 0.00 -2.06 0.00 0.00 59.70 57.64 1n63 h MET 593 Cb -0.00 -0.15 -0.02 0.00 0.06 0.00 0.00 31.60 31.49 1n63 h MET 593 CO -0.05 0.92 0.01 0.82 1.06 0.00 0.00 176.91 179.67 1n63 h ILE 594 N 0.98 1.26 -0.50 -1.22 2.04 -0.80 -2.22 117.51 117.07 1n63 h ILE 594 Ca 0.22 -1.10 -0.01 0.00 1.00 0.00 0.00 64.86 64.97 1n63 h ILE 594 Cb 0.31 0.87 -0.02 0.00 -0.74 0.00 0.00 36.82 37.24 1n63 h ILE 594 CO -0.01 0.39 0.27 0.00 0.00 0.00 0.00 178.15 178.81 1n63 h ALA 595 N 0.97 0.63 -0.64 1.87 0.00 -0.69 -0.62 119.26 120.78 1n63 h ALA 595 Ca 0.16 -0.09 -0.04 0.00 0.00 0.00 0.00 54.91 54.94 1n63 h ALA 595 Cb 0.52 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 18.09 1n63 h ALA 595 CO 0.03 0.15 0.25 0.00 0.00 0.00 0.00 179.25 179.68 1n63 h ALA 596 N 1.11 0.84 -0.53 0.00 0.00 -0.97 0.27 119.26 119.98 1n63 h ALA 596 Ca 0.17 -0.18 0.02 0.00 0.00 0.00 0.00 54.91 54.93 1n63 h ALA 596 Cb 0.05 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 17.55 1n63 h ALA 596 CO -0.03 0.46 0.32 1.25 0.00 0.00 0.00 179.25 181.25 1n63 h HIS 597 N 0.91 0.60 -0.27 0.00 6.17 -0.99 -1.30 115.15 120.27 1n63 h HIS 597 Ca 0.21 0.02 -0.16 0.00 0.71 0.00 0.00 60.37 61.16 1n63 h HIS 597 Cb 0.21 -0.20 -0.01 0.00 2.52 0.00 0.00 27.41 29.94 1n63 h HIS 597 CO 0.01 0.35 -0.47 0.52 0.71 0.00 0.00 177.93 179.06 1n63 h MET 598 N 0.64 0.70 -0.01 5.26 2.86 -0.75 -3.01 114.93 120.62 1n63 h MET 598 Ca 0.21 -0.40 0.00 0.00 -2.06 0.00 0.00 59.70 57.45 1n63 h MET 598 Cb 0.01 0.03 0.00 0.00 0.06 0.00 0.00 31.60 31.69 1n63 h MET 598 CO -0.09 1.02 -0.19 1.28 1.06 0.00 0.00 176.91 179.99 1n63 n LEU 599 N -4.01 1.07 -3.70 1.22 4.77 0.05 -4.95 117.00 111.45 1n63 n LEU 599 Ca -0.03 -0.29 -0.22 0.00 -0.03 0.00 0.00 56.01 55.45 1n63 n LEU 599 Cb 0.57 -0.10 0.03 0.00 -2.33 0.00 0.00 43.42 41.59 1n63 n LEU 599 CO 0.47 0.19 -0.05 -0.62 -1.33 0.00 0.00 177.39 176.06 1n63 n GLU 600 N -0.51 -5.04 -4.51 3.23 1.02 -0.55 -5.02 120.64 109.26 1n63 n GLU 600 Ca 0.14 0.63 -0.25 0.00 -0.02 0.00 0.00 57.16 57.66 1n63 n GLU 600 Cb 0.34 -5.23 -0.09 0.00 -0.02 0.00 0.00 31.44 26.45 1n63 n GLU 600 CO 0.00 0.00 0.00 0.14 1.18 0.00 0.00 177.13 178.45 1n63 s VAL 601 N -3.63 0.78 0.48 2.62 -7.23 -0.82 -5.06 120.40 107.55 1n63 s VAL 601 Ca 0.05 -2.00 -0.19 0.00 -1.81 0.00 0.00 61.98 58.03 1n63 s VAL 601 Cb -0.02 -2.46 -0.09 0.00 0.56 0.00 0.00 36.38 34.37 1n63 s VAL 601 CO 0.81 0.00 1.00 -1.00 -0.31 0.00 0.00 175.10 175.60 1n63 s HIS 602 N -3.23 3.21 0.39 2.82 3.76 -1.26 -4.48 115.29 116.50 1n63 s HIS 602 Ca 0.26 1.56 0.07 0.00 -0.15 0.00 0.00 55.06 56.80 1n63 s HIS 602 Cb 0.04 -2.92 0.80 0.00 1.11 0.00 0.00 32.58 31.61 1n63 s HIS 602 CO 0.14 -0.50 2.01 0.93 -0.85 0.00 0.00 174.74 176.47 1n63 h GLU 603 N 1.43 0.64 0.00 1.40 5.08 -1.92 -1.17 114.58 120.04 1n63 h GLU 603 Ca -0.48 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 57.84 1n63 h GLU 603 Cb 1.20 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 30.30 1n63 h GLU 603 CO 0.60 0.42 0.00 0.41 -1.00 0.00 0.00 179.01 179.44 1n63 n GLY 604 N -1.47 -0.97 0.19 -3.84 0.00 -1.26 -1.93 105.19 95.92 1n63 n GLY 604 Ca 0.07 0.05 0.13 0.00 0.00 0.00 0.00 46.02 46.27 1n63 n GLY 604 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1n63 n ASP 605 N -1.89 0.90 -4.89 1.61 8.00 -0.44 -4.91 116.55 114.92 1n63 n ASP 605 Ca 0.01 -0.75 -0.32 0.00 0.71 0.00 0.00 54.79 54.44 1n63 n ASP 605 Cb 0.13 0.15 -0.05 0.00 -0.02 0.00 0.00 41.12 41.33 1n63 n ASP 605 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1n63 s LEU 606 N -2.59 4.28 0.03 0.64 1.43 -0.81 -0.35 118.68 121.30 1n63 s LEU 606 Ca 0.22 0.62 0.03 0.00 -1.03 0.00 0.00 54.13 53.97 1n63 s LEU 606 Cb 0.19 -3.26 -0.02 0.00 0.03 0.00 0.00 46.19 43.13 1n63 s LEU 606 CO 0.55 0.07 -0.09 -1.83 0.23 0.00 0.00 176.35 175.28 1n63 s GLU 607 N -2.55 0.62 -0.08 1.70 -1.05 -0.03 -4.86 118.70 112.44 1n63 s GLU 607 Ca 0.40 -0.66 -0.16 0.00 -0.15 0.00 0.00 54.97 54.41 1n63 s GLU 607 Cb -0.12 -0.50 -0.05 0.00 -0.44 0.00 0.00 34.13 33.02 1n63 s GLU 607 CO 0.23 0.11 0.40 -0.46 0.95 0.00 0.00 175.26 176.49 1n63 s TRP 608 N -1.00 3.58 -0.51 4.83 -0.11 -1.26 -0.71 118.94 123.76 1n63 s TRP 608 Ca -0.04 0.85 0.04 0.00 1.22 0.00 0.00 56.10 58.16 1n63 s TRP 608 Cb -0.08 -2.39 0.16 0.00 -1.50 0.00 0.00 33.47 29.67 1n63 s TRP 608 CO 0.01 0.38 0.38 0.34 -4.62 0.00 0.00 176.95 173.43 1n63 s ASP 609 N -0.08 2.90 0.00 5.86 2.15 0.12 -4.97 116.67 122.64 1n63 s ASP 609 Ca 0.22 -3.26 0.00 0.00 0.43 0.00 0.00 52.55 49.94 1n63 s ASP 609 Cb -0.15 -0.91 0.00 0.00 -0.30 0.00 0.00 42.92 41.56 1n63 s ASP 609 CO 0.10 -0.16 0.00 0.52 -0.17 0.00 0.00 175.17 175.46 1n63 n VAL 610 N 2.66 0.00 -1.92 1.11 0.31 -1.26 -3.16 118.33 116.06 1n63 n VAL 610 Ca 0.23 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.56 1n63 n VAL 610 Cb 0.42 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.35 1n63 n VAL 610 CO 0.00 0.00 0.00 -0.90 -1.32 0.00 0.00 176.83 174.61 1n63 n ASP 611 N 1.34 0.00 -3.49 4.52 5.75 -1.26 -3.73 116.55 119.67 1n63 n ASP 611 Ca 0.00 -1.49 -0.14 0.00 -0.01 0.00 0.00 54.79 53.16 1n63 n ASP 611 Cb 0.00 -0.10 -0.04 0.00 -1.03 0.00 0.00 41.12 39.95 1n63 n ASP 611 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1n63 s ARG 612 N 0.00 1.03 -0.23 0.11 1.70 -1.19 -1.09 118.95 119.28 1n63 s ARG 612 Ca 0.00 -0.07 -0.10 0.00 -0.47 0.00 0.00 55.73 55.10 1n63 s ARG 612 Cb 0.00 0.48 -0.05 0.00 -0.57 0.00 0.00 34.95 34.81 1n63 s ARG 612 CO 0.00 -0.39 0.13 -0.06 -1.08 0.00 0.00 175.30 173.90 1n63 s PHE 613 N -2.27 3.28 0.19 5.89 0.08 -0.15 -0.70 117.98 124.29 1n63 s PHE 613 Ca -0.04 0.12 0.06 0.00 0.12 0.00 0.00 56.93 57.20 1n63 s PHE 613 Cb -0.01 -2.23 -0.04 0.00 -0.57 0.00 0.00 43.02 40.18 1n63 s PHE 613 CO -0.01 0.04 0.10 1.03 -0.10 0.00 0.00 175.22 176.27 1n63 s ARG 614 N 0.98 2.72 -0.05 0.44 0.52 0.12 -0.92 118.95 122.76 1n63 s ARG 614 Ca 0.06 -1.00 -0.29 0.00 -0.52 0.00 0.00 55.73 53.99 1n63 s ARG 614 Cb -0.13 -2.52 -0.02 0.00 0.52 0.00 0.00 34.95 32.79 1n63 s ARG 614 CO 0.04 0.46 0.95 0.08 0.02 0.00 0.00 175.30 176.84 1n63 s VAL 615 N -1.83 4.86 0.06 3.52 1.01 -0.31 -0.85 120.40 126.86 1n63 s VAL 615 Ca 0.30 1.96 -0.36 0.00 0.00 0.00 0.00 61.98 63.89 1n63 s VAL 615 Cb -0.09 -4.28 -0.15 0.00 0.00 0.00 0.00 36.38 31.86 1n63 s VAL 615 CO 0.22 0.11 1.53 0.29 0.00 0.00 0.00 175.10 177.25 1n63 n LYS 616 N 4.35 1.66 0.00 2.72 5.02 0.53 -1.22 118.16 131.21 1n63 n LYS 616 Ca 0.06 0.60 0.00 0.00 -2.02 0.00 0.00 58.31 56.95 1n63 n LYS 616 Cb 0.50 -2.32 0.00 0.00 -0.02 0.00 0.00 35.03 33.19 1n63 n LYS 616 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1n63 n GLY 617 N 3.23 2.59 2.21 0.72 0.00 -1.26 -4.88 105.19 107.80 1n63 n GLY 617 Ca 0.19 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.97 1n63 n GLY 617 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1n63 n LEU 618 N 0.00 0.50 0.18 0.99 4.77 -0.36 -4.99 117.00 118.09 1n63 n LEU 618 Ca 0.00 -4.78 0.13 0.00 -0.03 0.00 0.00 56.01 51.34 1n63 n LEU 618 Cb 0.00 0.55 0.61 0.00 -2.33 0.00 0.00 43.42 42.25 1n63 n LEU 618 CO 0.00 2.09 0.90 1.55 -1.33 0.00 0.00 177.39 180.60 1n63 h PRO 619 N 3.92 0.00 0.00 3.23 0.13 -1.90 -0.94 132.00 136.43 1n63 h PRO 619 Ca 0.08 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.21 1n63 h PRO 619 Cb 0.87 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.00 1n63 h PRO 619 CO 0.49 0.00 0.00 -0.85 -0.23 0.00 0.00 178.00 177.41 1n63 n GLU 620 N -2.44 0.01 -3.48 0.86 0.00 -1.26 -4.42 120.64 109.91 1n63 n GLU 620 Ca 0.00 0.18 -0.43 0.00 0.00 0.00 0.00 57.16 56.92 1n63 n GLU 620 Cb 0.17 -1.51 -0.09 0.00 0.00 0.00 0.00 31.44 30.01 1n63 n GLU 620 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.13 177.28 1n63 s LYS 621 N -3.01 2.84 0.15 3.44 -0.14 -0.36 -5.05 119.74 117.62 1n63 s LYS 621 Ca 0.09 -1.36 -0.17 0.00 -1.36 0.00 0.00 55.97 53.17 1n63 s LYS 621 Cb 0.12 -3.98 0.03 0.00 -1.68 0.00 0.00 37.83 32.33 1n63 s LYS 621 CO 0.35 -0.97 0.45 -0.59 -0.76 0.00 0.00 175.35 173.82 1n63 s PHE 622 N 1.56 -0.19 -0.04 3.18 -0.12 -1.26 -1.17 117.98 119.95 1n63 s PHE 622 Ca 0.04 -0.13 0.01 0.00 -0.05 0.00 0.00 56.93 56.80 1n63 s PHE 622 Cb -0.23 0.31 0.02 0.00 -0.63 0.00 0.00 43.02 42.49 1n63 s PHE 622 CO 0.05 -0.77 -0.05 0.15 -0.05 0.00 0.00 175.22 174.55 1n63 s LYS 623 N -3.82 0.87 0.69 1.99 -0.14 -0.09 -4.99 119.74 114.24 1n63 s LYS 623 Ca 0.05 -0.13 -0.11 0.00 -1.36 0.00 0.00 55.97 54.41 1n63 s LYS 623 Cb 0.01 -0.85 0.00 0.00 -1.68 0.00 0.00 37.83 35.31 1n63 s LYS 623 CO -0.09 -0.06 1.07 0.95 -0.76 0.00 0.00 175.35 176.46 1n63 s THR 624 N 0.83 3.85 0.29 2.17 -4.23 -1.26 -0.98 115.64 116.30 1n63 s THR 624 Ca -0.11 0.60 -0.03 0.00 -1.18 0.00 0.00 61.69 60.97 1n63 s THR 624 Cb -0.14 -3.54 0.25 0.00 1.34 0.00 0.00 72.50 70.41 1n63 s THR 624 CO 0.01 -0.78 1.95 -0.03 -0.54 0.00 0.00 174.62 175.22 1n63 h MET 625 N -0.62 1.11 -0.65 3.99 4.05 -1.41 0.25 114.93 121.67 1n63 h MET 625 Ca -0.45 -0.08 -0.00 0.00 -0.28 0.00 0.00 59.70 58.89 1n63 h MET 625 Cb 1.23 -0.24 -0.03 0.00 -0.80 0.00 0.00 31.60 31.76 1n63 h MET 625 CO 0.62 0.76 0.40 -0.22 0.23 0.00 0.00 176.91 178.70 1n63 h LYS 626 N 1.14 0.87 -0.77 0.39 3.64 -1.90 0.10 116.57 120.04 1n63 h LYS 626 Ca 0.30 -0.07 -0.03 0.00 -1.27 0.00 0.00 60.65 59.58 1n63 h LYS 626 Cb -0.10 -0.19 -0.04 0.00 -0.41 0.00 0.00 32.23 31.50 1n63 h LYS 626 CO -0.06 0.61 0.37 0.93 -2.27 0.00 0.00 179.45 179.03 1n63 h GLU 627 N 0.88 1.11 -0.21 1.90 5.08 -1.65 -2.34 114.58 119.35 1n63 h GLU 627 Ca 0.23 -0.17 -0.13 0.00 -1.00 0.00 0.00 59.36 58.30 1n63 h GLU 627 Cb -0.05 -0.20 -0.01 0.00 0.50 0.00 0.00 28.75 28.99 1n63 h GLU 627 CO -0.05 0.87 -0.43 -0.07 -1.00 0.00 0.00 179.01 178.33 1n63 h LEU 628 N 1.09 0.53 -0.61 1.33 3.38 -0.36 -0.75 115.31 119.92 1n63 h LEU 628 Ca 0.26 -0.24 -0.01 0.00 0.09 0.00 0.00 57.88 57.98 1n63 h LEU 628 Cb 0.12 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 40.69 1n63 h LEU 628 CO -0.03 0.90 0.34 0.00 0.09 0.00 0.00 178.44 179.74 1n63 h ALA 629 N 1.13 0.78 -0.35 1.53 0.00 -0.84 -0.29 119.26 121.22 1n63 h ALA 629 Ca 0.03 -0.10 -0.04 0.00 0.00 0.00 0.00 54.91 54.81 1n63 h ALA 629 Cb 0.92 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.45 1n63 h ALA 629 CO 0.08 0.29 0.07 2.35 0.00 0.00 0.00 179.25 182.04 1n63 h TRP 630 N 0.83 0.61 -0.60 0.00 2.91 -1.19 -2.78 115.95 115.73 1n63 h TRP 630 Ca 0.22 -0.08 0.03 0.00 1.13 0.00 0.00 58.89 60.19 1n63 h TRP 630 Cb 0.03 -0.17 -0.03 0.00 -0.51 0.00 0.00 29.16 28.47 1n63 h TRP 630 CO -0.01 0.62 0.40 0.00 -1.03 0.00 0.00 178.44 178.41 1n63 h ALA 631 N 0.92 1.68 0.00 2.65 0.00 -0.80 0.71 119.26 124.42 1n63 h ALA 631 Ca 0.11 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.97 1n63 h ALA 631 Cb 0.33 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 17.92 1n63 h ALA 631 CO 0.00 0.26 -0.08 0.66 0.00 0.00 0.00 179.25 180.09 1n63 h SER 632 N 0.71 0.00 0.13 0.00 4.64 -0.76 0.17 113.55 118.43 1n63 h SER 632 Ca 0.24 0.00 -0.36 0.00 -0.47 0.00 0.00 61.79 61.20 1n63 h SER 632 Cb 0.08 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.14 1n63 h SER 632 CO -0.06 0.08 -2.10 -1.22 -0.87 0.00 0.00 176.83 172.66 1n63 n TYR 633 N -3.77 0.91 -0.02 4.77 4.02 -0.57 -1.15 117.16 121.34 1n63 n TYR 633 Ca -0.02 0.21 -0.13 0.00 -0.01 0.00 0.00 57.90 57.95 1n63 n TYR 633 Cb 0.18 -1.12 -0.14 0.00 -0.02 0.00 0.00 39.34 38.23 1n63 n TYR 633 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 176.86 174.14 1n63 n ASN 634 N -3.37 1.19 -3.02 7.72 2.85 0.14 -4.67 115.26 116.11 1n63 n ASN 634 Ca -0.34 0.31 -0.15 0.00 -0.11 0.00 0.00 54.58 54.29 1n63 n ASN 634 Cb 1.04 -0.22 0.01 0.00 1.24 0.00 0.00 39.78 41.84 1n63 n ASN 634 CO 0.00 0.00 0.00 -0.24 -2.11 0.00 0.00 177.26 174.91 1n63 n SER 635 N -3.15 -0.50 -4.71 1.20 2.88 0.56 -5.04 113.62 104.86 1n63 n SER 635 Ca -0.23 -3.20 -0.42 0.00 -1.33 0.00 0.00 58.87 53.69 1n63 n SER 635 Cb 1.06 0.33 -0.03 0.00 -0.75 0.00 0.00 64.21 64.82 1n63 n SER 635 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 1n63 n PRO 636 N 0.57 2.79 -1.76 -1.46 -0.04 -1.15 -4.72 135.00 129.23 1n63 n PRO 636 Ca 0.18 1.01 -0.41 0.00 -0.04 0.00 0.00 63.50 64.23 1n63 n PRO 636 Cb 0.65 -2.87 0.01 0.00 -0.04 0.00 0.00 33.50 31.25 1n63 n PRO 636 CO 0.00 0.00 0.00 -2.30 -0.04 0.00 0.00 175.50 173.16 1n63 n PRO 637 N 4.54 2.40 0.30 0.54 -0.02 -1.26 -4.87 135.00 136.63 1n63 n PRO 637 Ca 0.17 0.85 0.16 0.00 -2.02 0.00 0.00 63.50 62.66 1n63 n PRO 637 Cb 0.36 -2.59 0.93 0.00 -0.02 0.00 0.00 33.50 32.17 1n63 n PRO 637 CO 0.00 0.00 0.00 -1.00 1.98 0.00 0.00 175.50 176.48 1n63 h PRO 638 N 2.60 0.00 -0.01 0.52 0.13 -2.01 -1.73 132.00 131.50 1n63 h PRO 638 Ca -0.50 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.63 1n63 h PRO 638 Cb 1.26 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.39 1n63 h PRO 638 CO 0.62 0.03 -0.17 0.09 -0.23 0.00 0.00 178.00 178.35 1n63 n ASN 639 N -3.56 0.97 -4.72 1.44 5.03 -1.26 -4.92 115.26 108.24 1n63 n ASN 639 Ca -0.02 -0.95 -0.26 0.00 0.87 0.00 0.00 54.58 54.22 1n63 n ASN 639 Cb 0.13 0.06 -0.07 0.00 -1.02 0.00 0.00 39.78 38.88 1n63 n ASN 639 CO 0.00 0.00 0.00 -0.76 -1.83 0.00 0.00 177.26 174.67 1n63 s LEU 640 N -2.38 3.49 0.57 3.41 1.43 -0.65 -5.12 118.68 119.43 1n63 s LEU 640 Ca 0.29 -0.33 -0.17 0.00 -1.03 0.00 0.00 54.13 52.89 1n63 s LEU 640 Cb 0.20 -2.10 -0.05 0.00 0.03 0.00 0.00 46.19 44.27 1n63 s LEU 640 CO 0.47 0.06 1.06 -1.61 0.23 0.00 0.00 176.35 176.56 1n63 s GLU 641 N -3.16 3.41 0.89 1.70 2.02 -1.26 -4.70 118.70 117.60 1n63 s GLU 641 Ca 0.29 1.25 -0.10 0.00 0.02 0.00 0.00 54.97 56.43 1n63 s GLU 641 Cb -0.09 -2.04 0.13 0.00 0.10 0.00 0.00 34.13 32.23 1n63 s GLU 641 CO 0.21 -0.74 1.12 -2.14 0.02 0.00 0.00 175.26 173.73 1n63 s PRO 642 N -3.87 1.24 0.00 0.39 0.02 -1.26 -4.89 135.00 126.63 1n63 s PRO 642 Ca 0.65 1.39 0.00 0.00 0.02 0.00 0.00 61.00 63.06 1n63 s PRO 642 Cb -0.16 -1.76 0.00 0.00 0.02 0.00 0.00 34.50 32.59 1n63 s PRO 642 CO 0.33 -2.43 0.00 0.41 -0.33 0.00 0.00 177.00 174.99 1n63 n GLY 643 N -0.17 -0.67 2.96 0.52 0.00 -0.30 -4.96 105.19 102.57 1n63 n GLY 643 Ca 0.11 -1.74 -0.08 0.00 0.00 0.00 0.00 46.02 44.31 1n63 n GLY 643 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1n63 s LEU 644 N -1.77 -0.81 0.21 0.99 2.96 -1.26 -4.82 118.68 114.18 1n63 s LEU 644 Ca 0.00 -0.91 -0.16 0.00 -0.22 0.00 0.00 54.13 52.85 1n63 s LEU 644 Cb 0.00 1.23 0.01 0.00 0.50 0.00 0.00 46.19 47.94 1n63 s LEU 644 CO 0.00 -0.26 0.50 -1.83 -1.32 0.00 0.00 176.35 173.44 1n63 s GLU 645 N 1.94 1.44 0.04 1.98 -1.05 -1.26 -1.24 118.70 120.56 1n63 s GLU 645 Ca 0.14 -1.02 -0.27 0.00 -0.15 0.00 0.00 54.97 53.67 1n63 s GLU 645 Cb -0.11 0.50 0.09 0.00 -0.44 0.00 0.00 34.13 34.17 1n63 s GLU 645 CO -0.13 -0.61 0.75 0.00 0.95 0.00 0.00 175.26 176.23 1n63 s ALA 646 N -3.93 -1.73 0.06 -0.84 0.00 -0.12 -4.77 121.76 110.42 1n63 s ALA 646 Ca 0.14 0.89 0.07 0.00 0.00 0.00 0.00 51.96 53.05 1n63 s ALA 646 Cb -0.01 0.46 -0.03 0.00 0.00 0.00 0.00 23.12 23.54 1n63 s ALA 646 CO 0.02 -0.65 -0.18 0.08 0.00 0.00 0.00 175.76 175.03 1n63 s VAL 647 N -2.95 1.45 -0.02 0.00 1.01 -1.26 -0.61 120.40 118.02 1n63 s VAL 647 Ca 0.01 -1.23 0.01 0.00 0.00 0.00 0.00 61.98 60.76 1n63 s VAL 647 Cb -0.01 -1.30 0.02 0.00 0.00 0.00 0.00 36.38 35.09 1n63 s VAL 647 CO -0.07 0.03 -0.02 0.21 0.00 0.00 0.00 175.10 175.25 1n63 s ASN 648 N -1.40 0.46 -0.23 3.32 3.84 -0.24 -4.78 114.94 115.90 1n63 s ASN 648 Ca 0.04 -0.05 -0.06 0.00 0.21 0.00 0.00 52.86 53.00 1n63 s ASN 648 Cb -0.09 -0.18 -0.02 0.00 -0.55 0.00 0.00 41.25 40.41 1n63 s ASN 648 CO 0.02 -0.04 0.03 -0.31 -2.79 0.00 0.00 177.10 174.01 1n63 s TYR 649 N 0.59 3.05 -0.34 0.43 1.51 -1.26 -1.67 117.35 119.66 1n63 s TYR 649 Ca -0.06 -0.55 -0.09 0.00 -1.01 0.00 0.00 57.07 55.36 1n63 s TYR 649 Cb -0.09 -2.18 0.02 0.00 -0.11 0.00 0.00 41.96 39.60 1n63 s TYR 649 CO -0.01 -0.38 0.15 -0.47 -1.11 0.00 0.00 175.55 173.72 1n63 s TYR 650 N 1.48 3.21 -0.45 2.71 5.04 0.73 -4.95 117.35 125.12 1n63 s TYR 650 Ca 0.06 -1.01 -0.18 0.00 -2.44 0.00 0.00 57.07 53.50 1n63 s TYR 650 Cb -0.15 -2.35 0.04 0.00 0.35 0.00 0.00 41.96 39.86 1n63 s TYR 650 CO 0.02 -0.62 0.49 0.34 -1.34 0.00 0.00 175.55 174.43 1n63 s ASP 651 N 1.52 6.20 0.45 4.32 2.15 -1.26 -2.42 116.67 127.63 1n63 s ASP 651 Ca 0.02 -0.83 -0.23 0.00 0.43 0.00 0.00 52.55 51.93 1n63 s ASP 651 Cb -0.18 -2.24 -0.07 0.00 -0.30 0.00 0.00 42.92 40.12 1n63 s ASP 651 CO 0.05 -0.68 1.20 -2.16 -0.17 0.00 0.00 175.17 173.40 1n63 s PRO 652 N 2.21 3.76 0.34 4.34 0.04 -1.26 -4.93 135.00 139.50 1n63 s PRO 652 Ca 0.12 1.87 0.25 0.00 0.04 0.00 0.00 61.00 63.29 1n63 s PRO 652 Cb -0.19 -2.47 0.70 0.00 0.04 0.00 0.00 34.50 32.59 1n63 s PRO 652 CO 0.12 -0.58 1.73 -1.00 0.04 0.00 0.00 177.00 177.31 1n63 h PRO 653 N 2.14 0.00 -2.44 0.56 0.13 -1.95 -3.30 132.00 127.15 1n63 h PRO 653 Ca -0.49 0.00 0.15 0.00 -0.87 0.00 0.00 66.00 64.78 1n63 h PRO 653 Cb 1.25 0.00 -0.09 0.00 0.13 0.00 0.00 31.00 32.29 1n63 h PRO 653 CO 0.60 0.00 0.44 1.21 -0.23 0.00 0.00 178.00 180.03 1n63 s ASN 654 N -5.26 -0.23 0.99 1.44 2.47 -1.26 -4.87 114.94 108.21 1n63 s ASN 654 Ca 0.08 -0.35 -0.12 0.00 0.42 0.00 0.00 52.86 52.89 1n63 s ASN 654 Cb 0.09 0.50 0.18 0.00 -1.45 0.00 0.00 41.25 40.58 1n63 s ASN 654 CO 0.60 -0.91 1.10 -0.04 -3.72 0.00 0.00 177.10 174.12 1n63 s MET 655 N -3.35 0.51 0.07 0.43 -1.94 -1.26 -4.80 119.30 108.95 1n63 s MET 655 Ca 0.10 0.50 0.02 0.00 -1.71 0.00 0.00 55.69 54.60 1n63 s MET 655 Cb -0.02 -1.75 -0.04 0.00 2.01 0.00 0.00 34.83 35.03 1n63 s MET 655 CO 0.00 -2.67 0.09 0.95 -0.01 0.00 0.00 175.02 173.38 1n63 s THR 656 N -3.00 4.61 -0.57 2.05 -4.23 0.29 -4.76 115.64 110.02 1n63 s THR 656 Ca 0.65 -0.69 0.06 0.00 -1.18 0.00 0.00 61.69 60.52 1n63 s THR 656 Cb -0.18 -3.21 0.21 0.00 1.34 0.00 0.00 72.50 70.67 1n63 s THR 656 CO 0.57 0.16 0.56 -1.22 -0.54 0.00 0.00 174.62 174.15 1n63 n TYR 657 N 0.55 1.98 -1.12 3.99 4.02 -1.26 -0.93 117.16 124.39 1n63 n TYR 657 Ca -0.09 -3.94 -0.30 0.00 -0.01 0.00 0.00 57.90 53.56 1n63 n TYR 657 Cb 0.52 -0.40 0.13 0.00 -0.02 0.00 0.00 39.34 39.57 1n63 n TYR 657 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 176.86 174.60 1n63 s PRO 658 N -1.52 1.40 0.20 -0.72 0.04 -1.25 -4.74 135.00 128.41 1n63 s PRO 658 Ca 0.34 1.01 -0.07 0.00 0.04 0.00 0.00 61.00 62.32 1n63 s PRO 658 Cb 0.08 -1.81 -0.02 0.00 0.04 0.00 0.00 34.50 32.79 1n63 s PRO 658 CO -0.11 -2.19 0.29 -0.59 0.04 0.00 0.00 177.00 174.43 1n63 s PHE 659 N -2.86 0.67 0.23 0.56 -0.71 -0.87 -0.70 117.98 114.30 1n63 s PHE 659 Ca 0.63 -0.99 -0.21 0.00 -1.04 0.00 0.00 56.93 55.33 1n63 s PHE 659 Cb -0.19 -0.17 0.03 0.00 -1.21 0.00 0.00 43.02 41.49 1n63 s PHE 659 CO 0.57 -0.78 0.64 0.20 -1.34 0.00 0.00 175.22 174.52 1n63 s GLY 660 N -3.06 -0.22 -0.22 1.99 0.00 -0.72 -0.81 107.32 104.28 1n63 s GLY 660 Ca 0.27 -0.08 -0.02 0.00 0.00 0.00 0.00 44.72 44.89 1n63 s GLY 660 CO 0.07 -0.07 0.03 0.00 0.00 0.00 0.00 173.10 173.13 1n63 s ALA 661 N -3.87 1.27 -0.08 3.20 0.00 -0.24 -1.22 121.76 120.82 1n63 s ALA 661 Ca 0.08 -0.99 0.03 0.00 0.00 0.00 0.00 51.96 51.07 1n63 s ALA 661 Cb -0.03 -1.31 -0.02 0.00 0.00 0.00 0.00 23.12 21.76 1n63 s ALA 661 CO -0.01 -1.27 -0.15 0.71 0.00 0.00 0.00 175.76 175.04 1n63 s TYR 662 N 1.73 2.70 -0.03 0.00 1.51 0.26 -1.54 117.35 121.99 1n63 s TYR 662 Ca 0.00 -0.44 0.03 0.00 -1.01 0.00 0.00 57.07 55.65 1n63 s TYR 662 Cb -0.17 -1.71 0.00 0.00 -0.11 0.00 0.00 41.96 39.97 1n63 s TYR 662 CO -0.11 -0.03 -0.12 -0.06 -1.11 0.00 0.00 175.55 174.11 1n63 s PHE 663 N -0.21 1.25 -0.02 2.71 0.40 -0.39 -1.04 117.98 120.67 1n63 s PHE 663 Ca 0.00 -0.34 0.06 0.00 -0.60 0.00 0.00 56.93 56.05 1n63 s PHE 663 Cb -0.13 -0.87 -0.01 0.00 0.51 0.00 0.00 43.02 42.51 1n63 s PHE 663 CO 0.03 -0.13 -0.21 0.00 0.70 0.00 0.00 175.22 175.61 1n63 s ILE 665 N -0.39 2.79 -0.04 0.00 1.09 -0.14 -0.36 121.20 124.15 1n63 s ILE 665 Ca 0.05 -0.73 0.04 0.00 -1.10 0.00 0.00 60.65 58.91 1n63 s ILE 665 Cb -0.09 -2.18 -0.00 0.00 -1.06 0.00 0.00 42.46 39.13 1n63 s ILE 665 CO 0.00 0.51 -0.16 -0.32 -0.10 0.00 0.00 174.94 174.87 1n63 s MET 666 N 0.68 1.65 -0.11 2.79 1.75 -0.21 -0.11 119.30 125.74 1n63 s MET 666 Ca -0.07 -0.58 0.01 0.00 -1.25 0.00 0.00 55.69 53.79 1n63 s MET 666 Cb -0.16 -1.46 -0.02 0.00 2.84 0.00 0.00 34.83 36.03 1n63 s MET 666 CO 0.02 0.25 -0.13 -0.51 -0.65 0.00 0.00 175.02 174.00 1n63 s ASP 667 N -0.01 4.08 -0.06 1.11 1.01 -0.63 -0.38 116.67 121.80 1n63 s ASP 667 Ca -0.02 -0.27 0.03 0.00 0.71 0.00 0.00 52.55 52.99 1n63 s ASP 667 Cb -0.11 -1.42 0.01 0.00 1.01 0.00 0.00 42.92 42.41 1n63 s ASP 667 CO 0.02 0.22 -0.13 -0.63 0.21 0.00 0.00 175.17 174.85 1n63 s ILE 668 N 0.05 1.17 -0.44 0.77 1.01 0.21 -0.02 121.20 123.95 1n63 s ILE 668 Ca -0.04 -0.51 -0.24 0.00 0.00 0.00 0.00 60.65 59.85 1n63 s ILE 668 Cb -0.14 -1.06 0.02 0.00 0.01 0.00 0.00 42.46 41.29 1n63 s ILE 668 CO 0.04 0.36 0.87 -0.62 0.00 0.00 0.00 174.94 175.59 1n63 s ASP 669 N 0.54 6.49 0.53 3.58 -1.08 -0.49 -0.75 116.67 125.50 1n63 s ASP 669 Ca -0.13 0.11 0.32 0.00 -0.52 0.00 0.00 52.55 52.34 1n63 s ASP 669 Cb -0.15 -2.43 1.35 0.00 -1.46 0.00 0.00 42.92 40.24 1n63 s ASP 669 CO 0.03 -0.96 1.99 -0.37 0.52 0.00 0.00 175.17 176.38 1n63 h VAL 670 N 5.99 0.17 0.00 1.11 -1.51 -1.63 0.16 116.25 120.55 1n63 h VAL 670 Ca -0.24 -0.61 -0.09 0.00 -1.23 0.00 0.00 66.70 64.53 1n63 h VAL 670 Cb 1.08 1.52 -0.01 0.00 -2.13 0.00 0.00 31.29 31.74 1n63 h VAL 670 CO 0.99 0.06 -0.75 0.44 -1.23 0.00 0.00 177.57 177.08 1n63 h ASP 671 N 0.00 0.00 0.00 4.19 3.32 -1.92 -3.36 116.42 118.65 1n63 h ASP 671 Ca -0.00 0.00 -0.03 0.00 0.02 0.00 0.00 57.03 57.02 1n63 h ASP 671 Cb 0.51 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.06 1n63 h ASP 671 CO 0.01 0.38 -1.50 0.35 -1.72 0.00 0.00 179.24 176.75 1n63 n THR 672 N -3.04 0.12 -0.86 0.35 -2.24 -1.15 -4.98 114.28 102.47 1n63 n THR 672 Ca -0.01 -0.26 0.00 0.00 -2.27 0.00 0.00 64.05 61.50 1n63 n THR 672 Cb 0.71 0.08 0.00 0.00 -2.10 0.00 0.00 70.33 69.02 1n63 n THR 672 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1n63 n GLY 673 N 2.01 0.64 3.65 3.38 0.00 0.56 -4.52 105.19 110.91 1n63 n GLY 673 Ca -0.04 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.55 1n63 n GLY 673 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1n63 s VAL 674 N -2.33 4.64 -0.08 1.61 1.01 -1.20 -4.11 120.40 119.94 1n63 s VAL 674 Ca 0.00 1.89 -0.05 0.00 0.00 0.00 0.00 61.98 63.82 1n63 s VAL 674 Cb 0.00 -4.33 -0.04 0.00 0.00 0.00 0.00 36.38 32.02 1n63 s VAL 674 CO 0.00 -0.26 0.14 0.00 0.00 0.00 0.00 175.10 174.98 1n63 s ALA 675 N 3.30 3.86 -0.06 5.51 0.00 -1.26 -1.40 121.76 131.71 1n63 s ALA 675 Ca 0.44 -0.70 -0.00 0.00 0.00 0.00 0.00 51.96 51.70 1n63 s ALA 675 Cb -0.14 -1.90 0.03 0.00 0.00 0.00 0.00 23.12 21.10 1n63 s ALA 675 CO 0.09 0.66 -0.02 0.21 0.00 0.00 0.00 175.76 176.70 1n63 s LYS 676 N -1.32 0.73 0.04 0.00 2.47 0.97 -4.99 119.74 117.64 1n63 s LYS 676 Ca 0.19 -0.00 -0.30 0.00 -1.56 0.00 0.00 55.97 54.29 1n63 s LYS 676 Cb -0.12 -0.92 -0.07 0.00 -1.46 0.00 0.00 37.83 35.25 1n63 s LYS 676 CO 0.09 -0.20 1.61 0.99 0.16 0.00 0.00 175.35 178.00 1n63 s THR 677 N 1.46 3.22 -0.07 3.43 2.01 -1.26 -1.60 115.64 122.82 1n63 s THR 677 Ca -0.03 0.62 0.01 0.00 0.31 0.00 0.00 61.69 62.60 1n63 s THR 677 Cb -0.13 -3.40 -0.25 0.00 0.01 0.00 0.00 72.50 68.73 1n63 s THR 677 CO -0.03 -0.01 0.57 -0.09 -0.69 0.00 0.00 174.62 174.37 1n63 h ARG 678 N 8.39 0.16 -2.01 4.92 2.43 -0.88 -3.48 114.38 123.91 1n63 h ARG 678 Ca -0.41 -0.28 -0.05 0.00 -0.81 0.00 0.00 59.98 58.43 1n63 h ARG 678 Cb 1.19 0.10 -0.20 0.00 -0.42 0.00 0.00 29.97 30.65 1n63 h ARG 678 CO 0.93 0.93 0.15 0.50 -1.51 0.00 0.00 179.97 180.97 1n63 s ARG 679 N -2.58 0.95 -0.06 0.20 3.52 -1.16 -4.98 118.95 114.83 1n63 s ARG 679 Ca -0.13 0.61 -0.03 0.00 -0.13 0.00 0.00 55.73 56.05 1n63 s ARG 679 Cb 0.07 0.45 0.04 0.00 -1.56 0.00 0.00 34.95 33.95 1n63 s ARG 679 CO 0.81 -0.22 0.12 0.12 -0.81 0.00 0.00 175.30 175.32 1n63 s PHE 680 N -0.43 -0.08 -0.12 5.12 2.19 -1.26 -0.97 117.98 122.43 1n63 s PHE 680 Ca -0.06 0.46 0.01 0.00 0.33 0.00 0.00 56.93 57.67 1n63 s PHE 680 Cb -0.02 -0.34 -0.01 0.00 -1.31 0.00 0.00 43.02 41.33 1n63 s PHE 680 CO 0.06 -0.23 -0.16 -0.47 1.83 0.00 0.00 175.22 176.24 1n63 s TYR 681 N 2.19 2.74 -0.24 10.12 5.04 -0.18 -1.54 117.35 135.48 1n63 s TYR 681 Ca 0.03 -0.80 -0.01 0.00 -2.44 0.00 0.00 57.07 53.86 1n63 s TYR 681 Cb -0.12 -1.81 0.07 0.00 0.35 0.00 0.00 41.96 40.45 1n63 s TYR 681 CO -0.05 -0.30 0.01 0.00 -1.34 0.00 0.00 175.55 173.88 1n63 s ALA 682 N 0.40 1.58 -0.26 3.97 0.00 -0.03 -1.27 121.76 126.15 1n63 s ALA 682 Ca -0.13 -1.23 -0.14 0.00 0.00 0.00 0.00 51.96 50.46 1n63 s ALA 682 Cb -0.16 -1.40 -0.04 0.00 0.00 0.00 0.00 23.12 21.51 1n63 s ALA 682 CO 0.06 -1.30 0.33 -1.17 0.00 0.00 0.00 175.76 173.68 1n63 s LEU 683 N 1.58 4.06 -0.05 0.00 0.20 -0.59 -1.18 118.68 122.70 1n63 s LEU 683 Ca -0.00 0.26 0.06 0.00 0.69 0.00 0.00 54.13 55.14 1n63 s LEU 683 Cb -0.18 -2.36 -0.01 0.00 -0.43 0.00 0.00 46.19 43.20 1n63 s LEU 683 CO -0.11 -0.12 -0.23 -1.81 -0.29 0.00 0.00 176.35 173.79 1n63 s ASP 684 N 1.51 3.24 -0.33 3.68 1.01 -0.65 -1.08 116.67 124.04 1n63 s ASP 684 Ca 0.14 -0.45 0.03 0.00 0.71 0.00 0.00 52.55 52.97 1n63 s ASP 684 Cb -0.15 -0.77 0.10 0.00 1.01 0.00 0.00 42.92 43.10 1n63 s ASP 684 CO 0.09 0.27 0.05 -0.62 0.21 0.00 0.00 175.17 175.17 1n63 s ASP 685 N -0.30 4.56 -0.34 0.27 -1.08 0.01 -3.53 116.67 116.25 1n63 s ASP 685 Ca 0.01 -1.98 0.07 0.00 -0.52 0.00 0.00 52.55 50.13 1n63 s ASP 685 Cb -0.13 -1.44 0.56 0.00 -1.46 0.00 0.00 42.92 40.46 1n63 s ASP 685 CO 0.02 -0.38 1.61 0.00 0.52 0.00 0.00 175.17 176.95 1n63 n GLY 687 N -1.10 0.57 3.77 0.00 0.00 -1.24 -1.09 105.19 106.10 1n63 n GLY 687 Ca 0.41 -0.83 -0.41 0.00 0.00 0.00 0.00 46.02 45.19 1n63 n GLY 687 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1n63 s THR 688 N 0.00 2.32 -0.29 2.61 -4.23 -0.87 -4.57 115.64 110.61 1n63 s THR 688 Ca 0.00 0.32 -0.10 0.00 -1.18 0.00 0.00 61.69 60.73 1n63 s THR 688 Cb 0.00 -3.20 -0.02 0.00 1.34 0.00 0.00 72.50 70.62 1n63 s THR 688 CO 0.00 0.07 0.15 -0.13 -0.54 0.00 0.00 174.62 174.18 1n63 s ARG 689 N -1.74 3.56 -0.02 3.99 0.52 -1.26 -4.46 118.95 119.54 1n63 s ARG 689 Ca 0.53 -0.57 -0.25 0.00 -0.52 0.00 0.00 55.73 54.92 1n63 s ARG 689 Cb -0.44 -3.56 -0.19 0.00 0.52 0.00 0.00 34.95 31.28 1n63 s ARG 689 CO 0.57 -0.32 1.21 0.82 0.02 0.00 0.00 175.30 177.60 1n63 h ILE 690 N 5.55 1.17 -2.38 1.52 2.04 -1.93 -3.17 117.51 120.31 1n63 h ILE 690 Ca -0.34 -1.02 -0.42 0.00 1.00 0.00 0.00 64.86 64.08 1n63 h ILE 690 Cb 1.16 1.81 -0.36 0.00 -0.74 0.00 0.00 36.82 38.70 1n63 h ILE 690 CO 0.60 0.25 -0.71 0.21 0.00 0.00 0.00 178.15 178.49 1n63 s ASN 691 N -5.53 2.35 0.45 1.72 3.84 -1.26 -0.31 114.94 116.20 1n63 s ASN 691 Ca -0.15 -1.13 0.13 0.00 0.21 0.00 0.00 52.86 51.92 1n63 s ASN 691 Cb 0.02 0.15 1.04 0.00 -0.55 0.00 0.00 41.25 41.91 1n63 s ASN 691 CO 0.62 -0.39 2.02 -0.65 -2.79 0.00 0.00 177.10 175.91 1n63 h PRO 692 N 8.10 0.36 -0.36 0.43 0.11 -1.80 -1.61 132.00 137.23 1n63 h PRO 692 Ca -0.12 -0.02 -0.03 0.00 0.11 0.00 0.00 66.00 65.94 1n63 h PRO 692 Cb 1.04 -0.08 -0.02 0.00 0.11 0.00 0.00 31.00 32.06 1n63 h PRO 692 CO 0.35 0.24 0.13 1.98 -0.21 0.00 0.00 178.00 180.48 1n63 h MET 693 N 0.37 0.55 -0.64 1.05 4.05 -1.92 -1.68 114.93 116.71 1n63 h MET 693 Ca 0.21 -0.11 -0.07 0.00 -0.28 0.00 0.00 59.70 59.45 1n63 h MET 693 Cb 0.35 -0.08 -0.03 0.00 -0.80 0.00 0.00 31.60 31.04 1n63 h MET 693 CO -0.05 0.56 0.14 0.82 0.23 0.00 0.00 176.91 178.61 1n63 h ILE 694 N 0.43 1.26 -0.39 1.77 2.04 -1.77 -2.07 117.51 118.78 1n63 h ILE 694 Ca 0.12 -0.97 0.00 0.00 1.00 0.00 0.00 64.86 65.02 1n63 h ILE 694 Cb 0.22 0.64 -0.02 0.00 -0.74 0.00 0.00 36.82 36.93 1n63 h ILE 694 CO -0.01 0.36 0.26 0.40 0.00 0.00 0.00 178.15 179.16 1n63 h ILE 695 N 0.96 1.10 -0.54 -0.67 2.04 -1.23 -0.91 117.51 118.26 1n63 h ILE 695 Ca 0.20 -0.19 0.03 0.00 1.00 0.00 0.00 64.86 65.90 1n63 h ILE 695 Cb 0.39 0.54 -0.04 0.00 -0.74 0.00 0.00 36.82 36.96 1n63 h ILE 695 CO 0.01 0.10 0.31 -0.08 0.00 0.00 0.00 178.15 178.49 1n63 h GLU 696 N 0.52 0.60 -0.59 2.37 4.81 -1.11 -1.20 114.58 119.98 1n63 h GLU 696 Ca 0.14 -0.04 -0.03 0.00 -0.13 0.00 0.00 59.36 59.30 1n63 h GLU 696 Cb -0.06 -0.14 -0.03 0.00 0.63 0.00 0.00 28.75 29.16 1n63 h GLU 696 CO -0.03 0.40 0.24 0.78 -0.73 0.00 0.00 179.01 179.67 1n63 h GLY 697 N 0.62 0.92 1.18 1.92 0.00 -0.92 -0.32 103.07 106.47 1n63 h GLY 697 Ca 0.22 -0.46 -0.06 0.00 0.00 0.00 0.00 47.33 47.03 1n63 h GLY 697 CO -0.11 0.44 0.18 1.46 0.00 0.00 0.00 176.54 178.51 1n63 h GLN 698 N 0.85 1.03 -0.09 4.80 1.08 -0.24 -1.61 115.11 120.92 1n63 h GLN 698 Ca 0.20 -0.22 -0.02 0.00 -1.45 0.00 0.00 58.65 57.16 1n63 h GLN 698 Cb 0.16 -0.15 -0.00 0.00 -0.05 0.00 0.00 27.48 27.44 1n63 h GLN 698 CO -0.02 0.89 -0.02 0.28 -0.95 0.00 0.00 178.83 179.01 1n63 h VAL 699 N 0.98 1.29 -0.83 -0.54 2.07 -0.86 -0.87 116.25 117.49 1n63 h VAL 699 Ca 0.21 -0.94 0.04 0.00 0.82 0.00 0.00 66.70 66.83 1n63 h VAL 699 Cb 0.31 1.73 -0.05 0.00 -1.52 0.00 0.00 31.29 31.76 1n63 h VAL 699 CO -0.00 0.27 0.52 0.45 0.02 0.00 0.00 177.57 178.83 1n63 h HIS 700 N -0.14 0.98 -0.08 1.57 3.86 -0.89 -0.08 115.15 120.36 1n63 h HIS 700 Ca 0.02 0.03 -0.00 0.00 -1.16 0.00 0.00 60.37 59.26 1n63 h HIS 700 Cb 0.43 -0.32 -0.00 0.00 1.06 0.00 0.00 27.41 28.58 1n63 h HIS 700 CO 0.05 0.53 0.03 0.78 0.86 0.00 0.00 177.93 180.19 1n63 h GLY 701 N 0.99 0.13 1.01 2.45 0.00 -1.19 -2.54 103.07 103.92 1n63 h GLY 701 Ca 0.34 -0.07 -0.01 0.00 0.00 0.00 0.00 47.33 47.59 1n63 h GLY 701 CO -0.14 0.07 0.42 -1.33 0.00 0.00 0.00 176.54 175.56 1n63 h GLY 702 N -0.03 1.11 1.26 4.60 0.00 -0.72 -2.19 103.07 107.10 1n63 h GLY 702 Ca 0.03 -0.49 -0.03 0.00 0.00 0.00 0.00 47.33 46.83 1n63 h GLY 702 CO -0.00 0.47 0.28 1.41 0.00 0.00 0.00 176.54 178.70 1n63 h LEU 703 N 1.03 0.87 -0.59 3.11 3.38 -1.00 -0.81 115.31 121.29 1n63 h LEU 703 Ca 0.26 -0.11 -0.08 0.00 0.09 0.00 0.00 57.88 58.05 1n63 h LEU 703 Cb 0.02 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.52 1n63 h LEU 703 CO -0.04 0.76 0.06 0.74 0.09 0.00 0.00 178.44 180.05 1n63 h THR 704 N 0.94 1.26 -0.51 0.22 2.02 -1.13 -0.06 112.91 115.65 1n63 h THR 704 Ca 0.22 -1.05 -0.02 0.00 0.77 0.00 0.00 66.41 66.34 1n63 h THR 704 Cb 0.15 0.79 -0.02 0.00 -1.74 0.00 0.00 68.15 67.33 1n63 h THR 704 CO -0.02 0.38 0.25 -0.33 0.37 0.00 0.00 175.52 176.16 1n63 h GLU 705 N 0.89 0.74 -0.56 6.66 5.08 -1.15 -1.03 114.58 125.21 1n63 h GLU 705 Ca 0.17 -0.11 0.00 0.00 -1.00 0.00 0.00 59.36 58.43 1n63 h GLU 705 Cb 0.47 -0.13 -0.03 0.00 0.50 0.00 0.00 28.75 29.56 1n63 h GLU 705 CO 0.02 0.61 0.36 0.00 -1.00 0.00 0.00 179.01 179.00 1n63 h ALA 706 N 1.09 0.70 -0.35 3.43 0.00 -0.76 0.44 119.26 123.81 1n63 h ALA 706 Ca 0.18 -0.05 0.05 0.00 0.00 0.00 0.00 54.91 55.09 1n63 h ALA 706 Cb 0.12 -0.22 -0.05 0.00 0.00 0.00 0.00 17.79 17.64 1n63 h ALA 706 CO -0.02 0.16 0.06 0.35 0.00 0.00 0.00 179.25 179.79 1n63 h PHE 707 N 0.75 0.09 -0.07 0.00 3.57 -0.86 -0.26 116.94 120.16 1n63 h PHE 707 Ca 0.20 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.73 1n63 h PHE 707 Cb -0.07 0.01 -0.01 0.00 2.79 0.00 0.00 35.95 38.68 1n63 h PHE 707 CO -0.03 0.00 0.03 0.00 -2.23 0.00 0.00 178.31 176.08 1n63 h ALA 708 N 1.27 0.08 -0.10 2.41 0.00 -0.41 -1.10 119.26 121.42 1n63 h ALA 708 Ca 0.17 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 55.08 1n63 h ALA 708 Cb 0.20 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 17.98 1n63 h ALA 708 CO -0.23 -0.44 0.05 0.28 0.00 0.00 0.00 179.25 178.91 1n63 h VAL 709 N 0.07 1.10 -0.16 0.00 2.07 -0.74 0.15 116.25 118.74 1n63 h VAL 709 Ca 0.03 -0.30 -0.12 0.00 0.82 0.00 0.00 66.70 67.12 1n63 h VAL 709 Cb 0.01 1.12 -0.01 0.00 -1.52 0.00 0.00 31.29 30.89 1n63 h VAL 709 CO -0.02 0.09 -0.43 0.00 0.02 0.00 0.00 177.57 177.23 1n63 h ALA 710 N 0.94 0.96 -0.01 1.67 0.00 -0.96 -3.35 119.26 118.50 1n63 h ALA 710 Ca 0.04 -0.44 0.00 0.00 0.00 0.00 0.00 54.91 54.50 1n63 h ALA 710 Cb 0.10 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.80 1n63 h ALA 710 CO -0.00 0.63 -0.26 -1.33 0.00 0.00 0.00 179.25 178.29 1n63 n MET 711 N -4.01 1.73 0.00 0.00 2.00 -0.42 -0.38 117.12 116.04 1n63 n MET 711 Ca -0.02 -0.81 0.00 0.00 0.00 0.00 0.00 57.70 56.87 1n63 n MET 711 Cb 0.51 -1.22 0.00 0.00 0.00 0.00 0.00 33.22 32.51 1n63 n MET 711 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 1n63 n GLY 712 N 1.04 0.12 3.77 3.03 0.00 -0.57 -2.57 105.19 110.00 1n63 n GLY 712 Ca 0.06 -0.06 -0.38 0.00 0.00 0.00 0.00 46.02 45.64 1n63 n GLY 712 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1n63 s GLN 713 N -0.85 4.25 -0.09 1.61 -0.21 0.42 -4.54 119.66 120.26 1n63 s GLN 713 Ca 0.00 1.71 -0.30 0.00 0.02 0.00 0.00 55.36 56.79 1n63 s GLN 713 Cb 0.00 -2.76 0.10 0.00 1.00 0.00 0.00 33.01 31.35 1n63 s GLN 713 CO 0.00 -0.11 0.84 -1.83 -2.12 0.00 0.00 175.29 172.07 1n63 s GLU 714 N -2.15 0.83 -0.14 2.91 -1.05 -1.26 -4.73 118.70 113.11 1n63 s GLU 714 Ca 0.54 0.11 0.02 0.00 -0.15 0.00 0.00 54.97 55.49 1n63 s GLU 714 Cb -0.28 0.39 0.01 0.00 -0.44 0.00 0.00 34.13 33.81 1n63 s GLU 714 CO 0.35 -0.28 -0.22 0.42 0.95 0.00 0.00 175.26 176.49 1n63 s ILE 715 N -1.49 2.08 0.31 1.83 -1.09 -0.62 -4.81 121.20 117.41 1n63 s ILE 715 Ca -0.04 -0.97 0.11 0.00 -2.23 0.00 0.00 60.65 57.51 1n63 s ILE 715 Cb -0.00 -1.83 -0.05 0.00 -1.58 0.00 0.00 42.46 38.99 1n63 s ILE 715 CO 0.03 0.55 -0.12 -0.13 -1.23 0.00 0.00 174.94 174.04 1n63 s ARG 716 N 0.86 1.85 -0.03 2.79 0.52 -0.90 -4.60 118.95 119.43 1n63 s ARG 716 Ca -0.06 -1.77 0.03 0.00 -0.52 0.00 0.00 55.73 53.41 1n63 s ARG 716 Cb -0.15 -1.82 0.00 0.00 0.52 0.00 0.00 34.95 33.50 1n63 s ARG 716 CO -0.03 0.25 -0.11 0.71 0.02 0.00 0.00 175.30 176.14 1n63 s TYR 717 N -2.52 1.20 0.80 -0.53 1.51 -1.26 -0.18 117.35 116.38 1n63 s TYR 717 Ca 0.32 -0.33 -0.06 0.00 -1.01 0.00 0.00 57.07 55.98 1n63 s TYR 717 Cb -0.02 -0.85 0.15 0.00 -0.11 0.00 0.00 41.96 41.13 1n63 s TYR 717 CO 0.17 -0.14 1.11 0.16 -1.11 0.00 0.00 175.55 175.74 1n63 s ASP 718 N 0.21 3.93 0.50 2.29 1.47 -0.61 -4.91 116.67 119.56 1n63 s ASP 718 Ca -0.04 -0.11 0.18 0.00 1.18 0.00 0.00 52.55 53.75 1n63 s ASP 718 Cb -0.10 -0.16 1.25 0.00 -0.34 0.00 0.00 42.92 43.57 1n63 s ASP 718 CO 0.01 -2.16 2.10 -0.33 0.68 0.00 0.00 175.17 175.48 1n63 h GLU 719 N -0.92 0.00 -0.00 2.11 5.08 -1.99 -0.64 114.58 118.22 1n63 h GLU 719 Ca -0.39 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.97 1n63 h GLU 719 Cb 1.26 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.51 1n63 h GLU 719 CO 0.40 0.07 -0.05 1.04 -1.00 0.00 0.00 179.01 179.48 1n63 n GLN 720 N -4.34 0.63 -0.59 2.33 3.00 -1.26 -4.79 117.38 112.36 1n63 n GLN 720 Ca -0.03 -0.11 0.00 0.00 -0.01 0.00 0.00 57.00 56.85 1n63 n GLN 720 Cb 0.15 -1.50 0.00 0.00 0.00 0.00 0.00 30.24 28.89 1n63 n GLN 720 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1n63 n GLY 721 N 1.24 0.74 3.77 1.08 0.00 -0.25 -4.54 105.19 107.24 1n63 n GLY 721 Ca 0.16 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.77 1n63 n GLY 721 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1n63 s ASN 722 N -2.41 6.57 -0.04 1.61 0.01 -1.26 -4.50 114.94 114.92 1n63 s ASN 722 Ca 0.00 2.84 -0.25 0.00 -0.71 0.00 0.00 52.86 54.74 1n63 s ASN 722 Cb 0.00 -2.65 -0.04 0.00 0.41 0.00 0.00 41.25 38.97 1n63 s ASN 722 CO 0.00 -0.70 0.77 0.54 -1.51 0.00 0.00 177.10 176.20 1n63 s VAL 723 N -0.93 4.99 -0.04 1.60 0.11 -1.26 -1.58 120.40 123.28 1n63 s VAL 723 Ca 0.52 1.60 0.06 0.00 -2.93 0.00 0.00 61.98 61.24 1n63 s VAL 723 Cb -0.43 -4.11 -0.02 0.00 -1.53 0.00 0.00 36.38 30.29 1n63 s VAL 723 CO 0.55 0.24 -0.24 -0.76 -3.33 0.00 0.00 175.10 171.56 1n63 s LEU 724 N 0.80 2.15 -0.34 2.54 1.43 0.75 -4.68 118.68 121.34 1n63 s LEU 724 Ca 0.41 -0.46 0.00 0.00 -1.03 0.00 0.00 54.13 53.05 1n63 s LEU 724 Cb -0.19 -1.39 0.00 0.00 0.03 0.00 0.00 46.19 44.65 1n63 s LEU 724 CO 0.21 0.28 0.00 0.61 0.23 0.00 0.00 176.35 177.68 1n63 n GLY 725 N 2.71 0.55 2.61 -3.19 0.00 -1.26 -2.13 105.19 104.47 1n63 n GLY 725 Ca -0.17 -0.89 -0.40 0.00 0.00 0.00 0.00 46.02 44.56 1n63 n GLY 725 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1n63 n ALA 726 N 0.56 6.32 -3.68 4.61 0.00 -1.26 -3.29 120.51 123.77 1n63 n ALA 726 Ca -0.03 -4.40 -0.09 0.00 0.00 0.00 0.00 53.44 48.92 1n63 n ALA 726 Cb 0.20 -2.34 -0.02 0.00 0.00 0.00 0.00 19.45 17.30 1n63 n ALA 726 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1n63 s SER 727 N -0.81 -0.37 0.00 0.00 1.04 -1.26 -4.51 113.70 107.78 1n63 s SER 727 Ca 0.44 -0.35 0.21 0.00 0.48 0.00 0.00 55.95 56.74 1n63 s SER 727 Cb 0.21 0.65 1.26 0.00 0.10 0.00 0.00 66.02 68.24 1n63 s SER 727 CO -0.14 -1.15 1.64 0.49 0.98 0.00 0.00 173.24 175.06 1n63 n PHE 728 N -0.42 0.00 0.22 5.02 3.72 -1.26 -0.80 117.46 123.94 1n63 n PHE 728 Ca -0.09 0.00 0.07 0.00 -0.05 0.00 0.00 57.45 57.38 1n63 n PHE 728 Cb 0.61 0.00 0.52 0.00 -0.94 0.00 0.00 39.48 39.67 1n63 n PHE 728 CO 0.00 0.00 0.00 0.52 -0.05 0.00 0.00 176.76 177.23 1n63 h MET 729 N 0.00 0.00 0.00 -1.08 2.86 -1.95 -3.39 114.93 111.37 1n63 h MET 729 Ca 0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 1n63 h MET 729 Cb 0.00 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.66 1n63 h MET 729 CO 0.00 0.23 -0.45 -0.25 1.06 0.00 0.00 176.91 177.50 1n63 n ASP 730 N -3.98 2.25 -4.64 1.22 8.00 -0.73 -5.04 116.55 113.64 1n63 n ASP 730 Ca -0.02 0.00 -0.43 0.00 0.71 0.00 0.00 54.79 55.05 1n63 n ASP 730 Cb 0.31 0.22 -0.03 0.00 -0.02 0.00 0.00 41.12 41.60 1n63 n ASP 730 CO 0.00 0.00 0.00 0.12 -0.39 0.00 0.00 177.20 176.93 1n63 s PHE 731 N -1.45 2.12 -0.65 1.24 5.36 0.02 -4.90 117.98 119.73 1n63 s PHE 731 Ca 0.00 0.49 -0.27 0.00 -0.96 0.00 0.00 56.93 56.19 1n63 s PHE 731 Cb 0.00 -3.92 -0.00 0.00 -0.34 0.00 0.00 43.02 38.76 1n63 s PHE 731 CO 0.00 -3.09 1.62 0.12 -1.46 0.00 0.00 175.22 172.40 1n63 s PHE 732 N 4.79 1.93 -0.28 10.12 5.36 -1.26 -4.74 117.98 133.90 1n63 s PHE 732 Ca 0.71 0.46 -0.04 0.00 -0.96 0.00 0.00 56.93 57.10 1n63 s PHE 732 Cb -0.27 -4.31 0.02 0.00 -0.34 0.00 0.00 43.02 38.13 1n63 s PHE 732 CO 0.28 -2.21 0.02 -0.51 -1.46 0.00 0.00 175.22 171.34 1n63 s LEU 733 N 7.61 3.65 0.46 6.12 1.43 -1.26 -4.54 118.68 132.15 1n63 s LEU 733 Ca 0.55 -0.86 -0.24 0.00 -1.03 0.00 0.00 54.13 52.55 1n63 s LEU 733 Cb -0.11 -1.78 -0.07 0.00 0.03 0.00 0.00 46.19 44.25 1n63 s LEU 733 CO 0.19 -0.19 1.23 -2.16 0.23 0.00 0.00 176.35 175.66 1n63 s PRO 734 N 1.40 3.72 0.78 1.29 0.04 -1.26 -5.04 135.00 135.94 1n63 s PRO 734 Ca 0.01 1.95 -0.04 0.00 0.04 0.00 0.00 61.00 62.96 1n63 s PRO 734 Cb -0.17 -2.49 0.15 0.00 0.04 0.00 0.00 34.50 32.03 1n63 s PRO 734 CO -0.00 -0.63 1.07 0.95 0.04 0.00 0.00 177.00 178.43 1n63 s THR 735 N -1.42 2.07 0.58 1.26 -4.23 -1.26 -4.92 115.64 107.72 1n63 s THR 735 Ca 0.63 -0.48 0.28 0.00 -1.18 0.00 0.00 61.69 60.93 1n63 s THR 735 Cb -0.33 -2.58 0.35 0.00 1.34 0.00 0.00 72.50 71.28 1n63 s THR 735 CO 0.41 0.00 2.14 0.00 -0.54 0.00 0.00 174.62 176.63 1n63 h ALA 736 N -0.79 1.79 -0.17 3.99 0.00 -1.96 -2.23 119.26 119.89 1n63 h ALA 736 Ca -0.37 -0.00 -0.13 0.00 0.00 0.00 0.00 54.91 54.40 1n63 h ALA 736 Cb 1.26 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.06 1n63 h ALA 736 CO 0.38 -0.21 -0.42 0.28 0.00 0.00 0.00 179.25 179.28 1n63 h VAL 737 N 0.00 1.34 0.00 0.00 2.07 -2.02 -3.27 116.25 114.37 1n63 h VAL 737 Ca 0.07 -1.67 -0.14 0.00 0.82 0.00 0.00 66.70 65.78 1n63 h VAL 737 Cb 0.35 1.95 -0.02 0.00 -1.52 0.00 0.00 31.29 32.04 1n63 h VAL 737 CO -0.00 0.51 -0.67 -0.33 0.02 0.00 0.00 177.57 177.10 1n63 h GLU 738 N 0.25 0.00 -6.34 1.57 3.07 -1.85 -3.46 114.58 107.82 1n63 h GLU 738 Ca -0.00 0.00 -0.55 0.00 -0.50 0.00 0.00 59.36 58.31 1n63 h GLU 738 Cb 1.03 0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 28.92 1n63 h GLU 738 CO 0.09 0.67 0.68 0.99 -1.40 0.00 0.00 179.01 180.04 1n63 s THR 739 N -3.21 4.22 0.81 1.13 2.01 -0.87 -4.98 115.64 114.75 1n63 s THR 739 Ca 0.01 1.56 -0.13 0.00 0.31 0.00 0.00 61.69 63.43 1n63 s THR 739 Cb 0.11 -4.00 0.08 0.00 0.01 0.00 0.00 72.50 68.70 1n63 s THR 739 CO 0.76 0.02 1.20 -2.65 -0.69 0.00 0.00 174.62 173.26 1n63 n PRO 740 N 5.03 0.17 -2.40 4.92 -0.02 -1.26 -4.97 135.00 136.47 1n63 n PRO 740 Ca 0.11 0.14 -0.41 0.00 -2.02 0.00 0.00 63.50 61.32 1n63 n PRO 740 Cb 0.46 -2.44 -0.04 0.00 -0.02 0.00 0.00 33.50 31.46 1n63 n PRO 740 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 1n63 s LYS 741 N -4.12 4.56 -0.08 -0.52 1.02 -1.26 -5.04 119.74 114.29 1n63 s LYS 741 Ca 0.73 1.88 -0.00 0.00 0.02 0.00 0.00 55.97 58.60 1n63 s LYS 741 Cb -0.29 -3.19 -0.03 0.00 -0.52 0.00 0.00 37.83 33.80 1n63 s LYS 741 CO 0.51 0.07 -0.04 -1.58 -0.92 0.00 0.00 175.35 173.39 1n63 s TRP 742 N -0.81 3.04 -0.14 3.18 0.52 -1.26 -4.37 118.94 119.10 1n63 s TRP 742 Ca 0.48 0.10 -0.01 0.00 0.02 0.00 0.00 56.10 56.69 1n63 s TRP 742 Cb -0.33 -1.75 -0.02 0.00 -1.15 0.00 0.00 33.47 30.22 1n63 s TRP 742 CO 0.41 0.40 -0.10 -1.21 0.02 0.00 0.00 176.95 176.47 1n63 s GLU 743 N -0.84 3.48 0.19 4.98 2.02 -0.59 -5.05 118.70 122.88 1n63 s GLU 743 Ca 0.13 -0.63 0.09 0.00 0.02 0.00 0.00 54.97 54.58 1n63 s GLU 743 Cb -0.11 -2.73 -0.04 0.00 0.10 0.00 0.00 34.13 31.35 1n63 s GLU 743 CO 0.02 0.22 -0.19 0.95 0.02 0.00 0.00 175.26 176.28 1n63 s THR 744 N 0.37 1.98 0.35 3.63 -4.23 -1.26 -0.85 115.64 115.62 1n63 s THR 744 Ca -0.09 -2.04 -0.11 0.00 -1.18 0.00 0.00 61.69 58.27 1n63 s THR 744 Cb -0.15 -1.98 0.03 0.00 1.34 0.00 0.00 72.50 71.74 1n63 s THR 744 CO 0.05 -0.33 0.65 -0.62 -0.54 0.00 0.00 174.62 173.82 1n63 s ASP 745 N -2.87 0.28 0.16 3.99 -1.08 -0.33 -4.91 116.67 111.92 1n63 s ASP 745 Ca 0.19 -1.19 -0.23 0.00 -0.52 0.00 0.00 52.55 50.80 1n63 s ASP 745 Cb -0.05 0.75 0.07 0.00 -1.46 0.00 0.00 42.92 42.23 1n63 s ASP 745 CO 0.08 -1.47 0.59 -0.72 0.52 0.00 0.00 175.17 174.17 1n63 s TYR 746 N -2.88 -0.52 0.32 -5.34 1.13 -1.26 -1.64 117.35 107.16 1n63 s TYR 746 Ca 0.21 0.31 0.05 0.00 -1.41 0.00 0.00 57.07 56.23 1n63 s TYR 746 Cb -0.03 0.54 -0.06 0.00 -1.10 0.00 0.00 41.96 41.30 1n63 s TYR 746 CO 0.14 -0.84 0.03 0.95 -2.51 0.00 0.00 175.55 173.32 1n63 s THR 747 N -3.72 1.35 -0.21 -3.49 -4.23 -1.23 -4.95 115.64 99.16 1n63 s THR 747 Ca 0.01 -2.02 0.01 0.00 -1.18 0.00 0.00 61.69 58.51 1n63 s THR 747 Cb -0.01 -2.74 0.05 0.00 1.34 0.00 0.00 72.50 71.14 1n63 s THR 747 CO -0.13 -0.06 -0.09 -0.69 -0.54 0.00 0.00 174.62 173.11 1n63 s VAL 748 N -3.19 1.68 -0.37 2.29 1.01 -1.26 -4.36 120.40 116.20 1n63 s VAL 748 Ca 0.35 -1.12 0.01 0.00 0.00 0.00 0.00 61.98 61.22 1n63 s VAL 748 Cb 0.08 -1.80 0.12 0.00 0.00 0.00 0.00 36.38 34.78 1n63 s VAL 748 CO 0.15 0.09 0.16 -0.89 0.00 0.00 0.00 175.10 174.61 1n63 s THR 749 N 1.36 1.21 0.64 3.92 2.01 -1.26 -4.96 115.64 118.55 1n63 s THR 749 Ca -0.03 -1.98 -0.16 0.00 0.31 0.00 0.00 61.69 59.83 1n63 s THR 749 Cb -0.17 -1.88 -0.01 0.00 0.01 0.00 0.00 72.50 70.45 1n63 s THR 749 CO -0.07 -0.77 1.12 -2.84 -0.69 0.00 0.00 174.62 171.37 1n63 s PRO 750 N 1.00 2.88 -0.03 4.92 0.02 -1.26 -3.68 135.00 138.86 1n63 s PRO 750 Ca 0.13 1.47 -0.30 0.00 0.02 0.00 0.00 61.00 62.33 1n63 s PRO 750 Cb -0.21 -1.95 -0.05 0.00 0.02 0.00 0.00 34.50 32.31 1n63 s PRO 750 CO -0.12 -1.20 1.39 0.45 -0.33 0.00 0.00 177.00 177.19 1n63 s SER 751 N -2.34 6.86 0.39 2.53 0.15 -0.57 -4.75 113.70 115.97 1n63 s SER 751 Ca 0.69 2.05 0.16 0.00 0.70 0.00 0.00 55.95 59.55 1n63 s SER 751 Cb -0.22 -2.56 0.82 0.00 -1.71 0.00 0.00 66.02 62.35 1n63 s SER 751 CO 0.38 -0.73 1.84 -0.65 1.20 0.00 0.00 173.24 175.28 1n63 h PRO 752 N 7.99 0.00 -0.00 5.44 0.11 -1.90 -3.04 132.00 140.60 1n63 h PRO 752 Ca -0.36 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.75 1n63 h PRO 752 Cb 1.17 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.28 1n63 h PRO 752 CO 0.91 0.34 -0.66 -2.39 -0.21 0.00 0.00 178.00 175.99 1n63 n HIS 753 N -3.91 0.00 -3.00 0.65 1.44 -1.26 -4.95 115.22 104.19 1n63 n HIS 753 Ca -0.02 0.00 -0.35 0.00 -2.01 0.00 0.00 57.72 55.35 1n63 n HIS 753 Cb 0.41 -0.16 -0.06 0.00 0.12 0.00 0.00 29.99 30.29 1n63 n HIS 753 CO 0.00 0.00 0.00 -1.58 -2.81 0.00 0.00 176.34 171.95 1n63 s HIS 754 N -2.99 3.53 0.43 -1.40 5.04 -1.15 -4.95 115.29 113.81 1n63 s HIS 754 Ca 0.10 1.46 0.11 0.00 -1.54 0.00 0.00 55.06 55.18 1n63 s HIS 754 Cb 0.17 -2.69 0.94 0.00 0.04 0.00 0.00 32.58 31.04 1n63 s HIS 754 CO 0.75 0.18 2.02 -1.35 -2.34 0.00 0.00 174.74 174.00 1n63 h PRO 755 N 2.83 0.27 -0.08 2.88 0.11 -1.89 -1.61 132.00 134.50 1n63 h PRO 755 Ca -0.48 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.60 1n63 h PRO 755 Cb 1.19 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.25 1n63 h PRO 755 CO 0.65 0.27 0.00 0.44 -0.21 0.00 0.00 178.00 179.14 1n63 n ILE 756 N -4.41 1.53 -1.14 4.15 -5.35 -1.26 -5.00 119.36 107.88 1n63 n ILE 756 Ca -0.00 -1.62 -0.05 0.00 -0.27 0.00 0.00 62.75 60.81 1n63 n ILE 756 Cb 0.16 0.10 -0.02 0.00 -1.74 0.00 0.00 39.64 38.14 1n63 n ILE 756 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1n63 n GLY 757 N -0.75 0.71 3.87 3.28 0.00 -0.61 -4.65 105.19 107.05 1n63 n GLY 757 Ca 0.11 -0.33 -0.35 0.00 0.00 0.00 0.00 46.02 45.44 1n63 n GLY 757 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1n63 s ALA 758 N -1.98 3.73 0.24 4.61 0.00 -1.26 -1.51 121.76 125.60 1n63 s ALA 758 Ca 0.00 -0.39 0.09 0.00 0.00 0.00 0.00 51.96 51.66 1n63 s ALA 758 Cb 0.00 -2.26 -0.04 0.00 0.00 0.00 0.00 23.12 20.82 1n63 s ALA 758 CO 0.00 0.57 0.01 0.15 0.00 0.00 0.00 175.76 176.49 1n63 s LYS 759 N -1.90 2.36 0.99 0.00 1.02 -0.25 -4.67 119.74 117.29 1n63 s LYS 759 Ca 0.33 -1.32 -0.12 0.00 0.02 0.00 0.00 55.97 54.88 1n63 s LYS 759 Cb -0.14 -2.23 0.18 0.00 -0.52 0.00 0.00 37.83 35.12 1n63 s LYS 759 CO 0.18 0.39 1.08 0.20 -0.92 0.00 0.00 175.35 176.28 1n63 s GLY 760 N -3.50 1.60 0.00 -3.33 0.00 -1.26 -4.81 107.32 96.02 1n63 s GLY 760 Ca 0.30 -0.02 0.00 0.00 0.00 0.00 0.00 44.72 45.00 1n63 s GLY 760 CO 0.20 0.54 0.00 1.55 0.00 0.00 0.00 173.10 175.39 1n63 n VAL 761 N -4.27 0.00 0.22 1.40 3.14 -1.26 -4.65 118.33 112.90 1n63 n VAL 761 Ca 0.06 0.00 0.11 0.00 -2.96 0.00 0.00 64.34 61.55 1n63 n VAL 761 Cb 0.55 0.05 0.67 0.00 -1.06 0.00 0.00 33.84 34.05 1n63 n VAL 761 CO 0.00 0.00 0.00 1.23 -6.46 0.00 0.00 176.83 171.60 1n63 h GLY 762 N 0.00 0.00 0.71 7.55 0.00 -1.94 -1.86 103.07 107.52 1n63 h GLY 762 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1n63 h GLY 762 CO 0.00 0.00 -1.17 1.18 0.00 0.00 0.00 176.54 176.55 1n63 n GLU 763 N -4.46 0.50 -0.37 4.80 1.02 -1.26 -4.45 120.64 116.43 1n63 n GLU 763 Ca -0.01 0.02 -0.04 0.00 -0.02 0.00 0.00 57.16 57.12 1n63 n GLU 763 Cb 0.18 -1.69 0.00 0.00 -0.02 0.00 0.00 31.44 29.91 1n63 n GLU 763 CO 0.00 0.00 0.00 0.77 1.18 0.00 0.00 177.13 179.08 1n63 h SER 764 N 0.00 -1.59 -0.91 1.62 0.02 -1.66 -1.07 113.55 109.95 1n63 h SER 764 Ca 0.00 0.31 0.10 0.00 -0.84 0.00 0.00 61.79 61.35 1n63 h SER 764 Cb 0.91 0.79 -0.07 0.00 0.14 0.00 0.00 62.40 64.17 1n63 h SER 764 CO 0.00 -0.28 0.59 1.55 -1.14 0.00 0.00 176.83 177.55 1n63 h PRO 765 N -0.03 0.89 -0.05 3.45 0.13 -1.78 0.01 132.00 134.62 1n63 h PRO 765 Ca 0.29 -0.05 -0.12 0.00 -0.87 0.00 0.00 66.00 65.24 1n63 h PRO 765 Cb 0.55 -0.20 0.01 0.00 0.13 0.00 0.00 31.00 31.49 1n63 h PRO 765 CO -0.94 0.59 -0.43 1.25 -0.23 0.00 0.00 178.00 178.24 1n63 h HIS 766 N 0.92 0.53 -0.21 1.56 2.76 -1.32 0.19 115.15 119.59 1n63 h HIS 766 Ca 0.42 -0.25 0.04 0.00 -2.20 0.00 0.00 60.37 58.38 1n63 h HIS 766 Cb 0.40 -0.07 -0.04 0.00 1.55 0.00 0.00 27.41 29.24 1n63 h HIS 766 CO -0.00 1.03 -0.05 0.28 -1.30 0.00 0.00 177.93 177.89 1n63 h VAL 767 N -0.12 0.80 0.04 5.26 2.07 -1.04 -2.45 116.25 120.81 1n63 h VAL 767 Ca -0.04 -0.00 -0.22 0.00 0.82 0.00 0.00 66.70 67.25 1n63 h VAL 767 Cb 1.11 0.79 -0.02 0.00 -1.52 0.00 0.00 31.29 31.66 1n63 h VAL 767 CO 0.09 0.00 -1.04 1.23 0.02 0.00 0.00 177.57 177.87 1n63 h GLY 768 N 0.00 0.14 1.09 2.17 0.00 -1.10 -3.38 103.07 101.99 1n63 h GLY 768 Ca 0.10 -0.32 -0.11 0.00 0.00 0.00 0.00 47.33 47.00 1n63 h GLY 768 CO -0.21 0.28 -0.09 -1.33 0.00 0.00 0.00 176.54 175.19 1n63 h GLY 769 N 2.32 1.11 1.00 4.60 0.00 -0.50 -2.95 103.07 108.64 1n63 h GLY 769 Ca -0.05 -0.89 -0.01 0.00 0.00 0.00 0.00 47.33 46.38 1n63 h GLY 769 CO 0.15 0.81 -0.07 -2.08 0.00 0.00 0.00 176.54 175.35 1n63 h VAL 770 N 0.91 0.85 0.00 4.60 2.07 -1.62 -1.47 116.25 121.58 1n63 h VAL 770 Ca 0.14 -0.02 -0.06 0.00 0.82 0.00 0.00 66.70 67.59 1n63 h VAL 770 Cb 0.66 0.86 -0.01 0.00 -1.52 0.00 0.00 31.29 31.28 1n63 h VAL 770 CO 0.05 0.00 -0.29 -0.65 0.02 0.00 0.00 177.57 176.70 1n63 h PRO 771 N -0.21 0.00 -0.19 1.57 0.11 -1.77 -0.06 132.00 131.45 1n63 h PRO 771 Ca -0.02 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 66.09 1n63 h PRO 771 Cb 0.16 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.27 1n63 h PRO 771 CO 0.03 0.29 0.11 0.00 -0.21 0.00 0.00 178.00 178.22 1n63 h PHE 773 N 0.22 0.47 -0.41 0.00 0.04 -0.98 -0.86 116.94 115.42 1n63 h PHE 773 Ca 0.07 -0.07 -0.12 0.00 2.80 0.00 0.00 57.97 60.64 1n63 h PHE 773 Cb 0.04 -0.13 -0.01 0.00 2.20 0.00 0.00 35.95 38.05 1n63 h PHE 773 CO -0.05 0.56 -0.24 1.03 -0.60 0.00 0.00 178.31 179.02 1n63 h SER 774 N 0.24 0.86 -0.83 2.17 0.87 -0.93 -1.77 113.55 114.17 1n63 h SER 774 Ca 0.08 -0.32 -0.01 0.00 -1.23 0.00 0.00 61.79 60.31 1n63 h SER 774 Cb 0.36 -0.24 -0.04 0.00 -0.44 0.00 0.00 62.40 62.04 1n63 h SER 774 CO 0.01 1.06 0.48 0.78 -0.53 0.00 0.00 176.83 178.63 1n63 h ASN 775 N 0.73 1.02 -0.73 6.23 2.35 -0.39 -0.61 115.58 124.16 1n63 h ASN 775 Ca 0.09 -0.07 -0.03 0.00 -0.55 0.00 0.00 56.30 55.75 1n63 h ASN 775 Cb 0.77 -0.26 -0.03 0.00 0.05 0.00 0.00 38.32 38.85 1n63 h ASN 775 CO 0.06 0.80 0.35 0.00 -1.65 0.00 0.00 177.43 176.99 1n63 h ALA 776 N 1.37 0.94 -0.33 -0.83 0.00 -0.39 0.21 119.26 120.24 1n63 h ALA 776 Ca 0.30 -0.15 -0.10 0.00 0.00 0.00 0.00 54.91 54.97 1n63 h ALA 776 Cb -0.02 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.48 1n63 h ALA 776 CO -0.05 0.50 -0.17 0.28 0.00 0.00 0.00 179.25 179.81 1n63 h VAL 777 N 1.02 1.29 -0.58 0.00 2.07 -1.14 -1.29 116.25 117.61 1n63 h VAL 777 Ca 0.25 -1.28 -0.08 0.00 0.82 0.00 0.00 66.70 66.41 1n63 h VAL 777 Cb 0.11 1.42 -0.02 0.00 -1.52 0.00 0.00 31.29 31.28 1n63 h VAL 777 CO -0.03 0.42 0.06 0.78 0.02 0.00 0.00 177.57 178.82 1n63 h ASN 778 N 0.46 0.93 -0.74 0.57 2.35 -1.03 -2.33 115.58 115.79 1n63 h ASN 778 Ca 0.07 -0.22 -0.05 0.00 -0.55 0.00 0.00 56.30 55.55 1n63 h ASN 778 Cb 0.70 -0.25 -0.03 0.00 0.05 0.00 0.00 38.32 38.80 1n63 h ASN 778 CO 0.05 0.95 0.26 -0.78 -1.65 0.00 0.00 177.43 176.25 1n63 h ASP 779 N 0.90 1.07 -0.97 5.81 3.58 -0.39 -2.29 116.42 124.13 1n63 h ASP 779 Ca 0.18 -0.19 0.02 0.00 0.42 0.00 0.00 57.03 57.46 1n63 h ASP 779 Cb 0.44 -0.28 -0.05 0.00 1.72 0.00 0.00 39.33 41.16 1n63 h ASP 779 CO 0.02 0.97 0.64 0.00 -2.88 0.00 0.00 179.24 177.99 1n63 h ALA 780 N 1.17 1.33 -0.01 -0.78 0.00 -0.68 -2.39 119.26 117.91 1n63 h ALA 780 Ca 0.24 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.10 1n63 h ALA 780 Cb 0.27 -0.38 0.00 0.00 0.00 0.00 0.00 17.79 17.69 1n63 h ALA 780 CO -0.01 0.60 -0.22 0.66 0.00 0.00 0.00 179.25 180.27 1n63 n TYR 781 N -4.41 0.00 -0.06 0.00 4.01 -1.12 -4.36 117.16 111.22 1n63 n TYR 781 Ca 0.12 0.00 0.03 0.00 -0.16 0.00 0.00 57.90 57.89 1n63 n TYR 781 Cb 0.04 -0.17 0.37 0.00 -0.31 0.00 0.00 39.34 39.28 1n63 n TYR 781 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1n63 h ALA 782 N 3.57 1.62 0.00 -0.72 0.00 -0.87 -0.92 119.26 121.94 1n63 h ALA 782 Ca 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.86 1n63 h ALA 782 Cb 0.46 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.05 1n63 h ALA 782 CO 0.00 0.34 0.00 1.97 0.00 0.00 0.00 179.25 181.56 1n63 n PHE 783 N -4.45 0.53 0.53 0.00 -1.74 -1.26 -1.24 117.46 109.83 1n63 n PHE 783 Ca 0.04 0.21 0.10 0.00 -0.56 0.00 0.00 57.45 57.25 1n63 n PHE 783 Cb 0.06 -0.84 0.14 0.00 1.52 0.00 0.00 39.48 40.36 1n63 n PHE 783 CO 0.00 0.00 0.00 1.28 -0.56 0.00 0.00 176.76 177.48 1n63 n LEU 784 N -1.99 2.99 -2.75 5.98 4.77 -0.37 -4.99 117.00 120.64 1n63 n LEU 784 Ca 0.02 -1.28 -0.16 0.00 -0.03 0.00 0.00 56.01 54.57 1n63 n LEU 784 Cb 0.20 -0.12 0.06 0.00 -2.33 0.00 0.00 43.42 41.23 1n63 n LEU 784 CO 0.17 0.59 0.15 0.59 -1.33 0.00 0.00 177.39 177.56 1n63 n ASN 785 N 1.22 -4.11 0.21 -1.43 3.02 -0.38 -4.91 115.26 108.89 1n63 n ASN 785 Ca 0.15 -0.41 0.09 0.00 -0.03 0.00 0.00 54.58 54.37 1n63 n ASN 785 Cb 0.53 -3.82 0.36 0.00 -0.61 0.00 0.00 39.78 36.25 1n63 n ASN 785 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1n63 h ALA 786 N 0.71 0.95 -0.11 5.41 0.00 -1.77 -3.50 119.26 120.96 1n63 h ALA 786 Ca -0.42 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.25 1n63 h ALA 786 Cb 1.26 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 19.01 1n63 h ALA 786 CO 0.39 0.33 -0.00 0.41 0.00 0.00 0.00 179.25 180.38 1n63 n GLY 787 N 0.41 -2.07 3.69 0.00 0.00 -1.26 -4.69 105.19 101.26 1n63 n GLY 787 Ca 0.01 -1.42 -0.42 0.00 0.00 0.00 0.00 46.02 44.18 1n63 n GLY 787 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1n63 s HIS 788 N -0.12 2.43 -0.29 1.61 2.46 -1.26 -4.97 115.29 115.15 1n63 s HIS 788 Ca 0.00 0.38 -0.11 0.00 0.47 0.00 0.00 55.06 55.80 1n63 s HIS 788 Cb 0.00 -3.91 -0.04 0.00 -0.13 0.00 0.00 32.58 28.50 1n63 s HIS 788 CO 0.00 -3.64 0.18 0.42 -2.47 0.00 0.00 174.74 169.23 1n63 s ILE 789 N 2.79 5.14 0.20 0.89 1.01 -1.26 -5.07 121.20 124.89 1n63 s ILE 789 Ca 0.72 0.01 -0.30 0.00 0.00 0.00 0.00 60.65 61.09 1n63 s ILE 789 Cb -0.38 -3.49 -0.08 0.00 0.01 0.00 0.00 42.46 38.52 1n63 s ILE 789 CO 0.31 0.20 1.16 -1.10 0.00 0.00 0.00 174.94 175.51 1n63 s GLN 790 N 1.73 4.53 0.94 2.79 -1.52 -1.26 -4.95 119.66 121.92 1n63 s GLN 790 Ca 0.07 1.83 -0.11 0.00 -1.95 0.00 0.00 55.36 55.20 1n63 s GLN 790 Cb -0.16 -3.24 0.15 0.00 -0.22 0.00 0.00 33.01 29.54 1n63 s GLN 790 CO 0.10 -0.01 1.10 -1.64 -0.25 0.00 0.00 175.29 174.59 1n63 s MET 791 N -0.48 0.90 0.64 2.91 -1.94 -1.26 -4.59 119.30 115.48 1n63 s MET 791 Ca 0.51 1.17 -0.12 0.00 -1.71 0.00 0.00 55.69 55.54 1n63 s MET 791 Cb -0.32 -1.74 -0.03 0.00 2.01 0.00 0.00 34.83 34.76 1n63 s MET 791 CO 0.37 -2.59 1.04 -1.25 -0.01 0.00 0.00 175.02 172.58 1n63 s PRO 792 N -4.72 3.36 -0.94 2.03 0.04 -1.26 -4.77 135.00 128.74 1n63 s PRO 792 Ca 0.65 0.89 -0.02 0.00 0.04 0.00 0.00 61.00 62.57 1n63 s PRO 792 Cb -0.21 -2.05 0.32 0.00 0.04 0.00 0.00 34.50 32.61 1n63 s PRO 792 CO 0.59 -0.76 1.95 0.72 0.04 0.00 0.00 177.00 179.54 1n63 n HIS 793 N -2.71 2.84 -2.21 0.56 8.25 0.49 -4.84 115.22 117.61 1n63 n HIS 793 Ca 0.07 -2.44 -0.27 0.00 -0.26 0.00 0.00 57.72 54.82 1n63 n HIS 793 Cb 0.54 -1.21 0.15 0.00 1.12 0.00 0.00 29.99 30.58 1n63 n HIS 793 CO 0.00 0.00 0.00 0.16 0.64 0.00 0.00 176.34 177.14 1n63 s ASP 794 N -1.15 3.71 0.11 0.41 -4.77 -1.06 -4.76 116.67 109.16 1n63 s ASP 794 Ca 0.46 0.03 -0.14 0.00 -3.30 0.00 0.00 52.55 49.60 1n63 s ASP 794 Cb 0.31 -0.25 -0.06 0.00 -1.09 0.00 0.00 42.92 41.83 1n63 s ASP 794 CO -0.27 -2.32 1.46 0.00 0.70 0.00 0.00 175.17 174.75 1n63 h ALA 795 N -1.14 0.48 -0.41 2.11 0.00 -1.86 -1.58 119.26 116.86 1n63 h ALA 795 Ca -0.41 -0.38 -0.07 0.00 0.00 0.00 0.00 54.91 54.05 1n63 h ALA 795 Cb 1.25 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.91 1n63 h ALA 795 CO 0.40 0.45 -0.06 0.11 0.00 0.00 0.00 179.25 180.16 1n63 h TRP 796 N 0.52 0.73 -0.33 0.00 5.08 -1.87 0.84 115.95 120.92 1n63 h TRP 796 Ca 0.07 -0.11 -0.16 0.00 1.08 0.00 0.00 58.89 59.77 1n63 h TRP 796 Cb 0.78 -0.20 -0.01 0.00 -3.00 0.00 0.00 29.16 26.74 1n63 h TRP 796 CO 0.06 0.72 -0.42 0.00 -1.28 0.00 0.00 178.44 177.53 1n63 h ARG 797 N 0.63 0.83 0.00 0.12 3.08 -1.82 -0.65 114.38 116.57 1n63 h ARG 797 Ca 0.12 -0.45 -0.15 0.00 0.07 0.00 0.00 59.98 59.57 1n63 h ARG 797 Cb 0.48 0.02 -0.02 0.00 0.08 0.00 0.00 29.97 30.53 1n63 h ARG 797 CO 0.03 1.08 -0.72 -0.07 -1.07 0.00 0.00 179.97 179.21 1n63 h LEU 798 N 0.67 0.00 -0.59 3.04 3.38 -0.96 -1.86 115.31 118.99 1n63 h LEU 798 Ca 0.05 0.00 0.01 0.00 0.09 0.00 0.00 57.88 58.03 1n63 h LEU 798 Cb 0.99 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.71 1n63 h LEU 798 CO 0.09 0.72 0.38 -0.25 0.09 0.00 0.00 178.44 179.48 1n63 h TRP 799 N 0.00 0.72 -0.75 1.13 7.01 -0.62 -2.34 115.95 121.10 1n63 h TRP 799 Ca -0.01 0.02 -0.05 0.00 2.11 0.00 0.00 58.89 60.96 1n63 h TRP 799 Cb 1.34 -0.24 -0.03 0.00 -2.10 0.00 0.00 29.16 28.12 1n63 h TRP 799 CO 0.00 0.44 0.29 -0.22 -2.79 0.00 0.00 178.44 176.16 1n63 h LYS 800 N 0.77 1.13 -0.15 2.65 3.64 -0.70 0.92 116.57 124.83 1n63 h LYS 800 Ca 0.22 -0.21 0.04 0.00 -1.27 0.00 0.00 60.65 59.43 1n63 h LYS 800 Cb -0.05 -0.18 -0.04 0.00 -0.41 0.00 0.00 32.23 31.55 1n63 h LYS 800 CO -0.06 0.93 -0.07 0.28 -2.27 0.00 0.00 179.45 178.25 1n63 h VAL 801 N 1.09 0.76 -0.12 2.00 2.07 -1.02 -1.30 116.25 119.73 1n63 h VAL 801 Ca 0.25 0.00 -0.08 0.00 0.82 0.00 0.00 66.70 67.69 1n63 h VAL 801 Cb 0.23 0.76 -0.01 0.00 -1.52 0.00 0.00 31.29 30.75 1n63 h VAL 801 CO -0.02 0.00 -0.29 1.23 0.02 0.00 0.00 177.57 178.51 1n63 h GLY 802 N -0.06 0.24 0.97 2.17 0.00 -0.90 -2.29 103.07 103.20 1n63 h GLY 802 Ca 0.08 -0.19 -0.02 0.00 0.00 0.00 0.00 47.33 47.21 1n63 h GLY 802 CO -0.19 0.17 0.22 -2.09 0.00 0.00 0.00 176.54 174.65 1n63 h GLU 803 N 0.20 0.68 -0.04 4.80 4.57 -0.38 -1.13 114.58 123.28 1n63 h GLU 803 Ca 0.03 -0.10 -0.12 0.00 -1.18 0.00 0.00 59.36 57.99 1n63 h GLU 803 Cb 0.62 -0.12 -0.01 0.00 -0.16 0.00 0.00 28.75 29.08 1n63 h GLU 803 CO 0.05 0.58 -0.52 1.96 -1.18 0.00 0.00 179.01 179.90 1n63 h GLN 804 N 0.61 0.10 0.00 1.92 4.20 -1.08 -2.29 115.11 118.57 1n63 h GLN 804 Ca 0.16 -0.06 0.00 0.00 0.06 0.00 0.00 58.65 58.81 1n63 h GLN 804 Cb 0.13 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.92 1n63 h GLN 804 CO -0.02 0.60 0.00 1.28 -0.67 0.00 0.00 178.83 180.02 1n63 n LEU 805 N -3.93 0.00 0.00 1.46 4.77 -0.88 -4.91 117.00 113.51 1n63 n LEU 805 Ca -0.02 0.46 0.00 0.00 -0.03 0.00 0.00 56.01 56.42 1n63 n LEU 805 Cb 0.54 -0.46 0.00 0.00 -2.33 0.00 0.00 43.42 41.17 1n63 n LEU 805 CO 0.42 -0.08 0.00 0.61 -1.33 0.00 0.00 177.39 177.00 1n63 n GLY 806 N 0.93 0.63 0.24 -0.72 0.00 -0.86 -4.95 105.19 100.46 1n63 n GLY 806 Ca 0.07 -0.56 0.16 0.00 0.00 0.00 0.00 46.02 45.68 1n63 n GLY 806 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1n63 h LEU 807 N 0.00 0.00 -2.60 0.99 3.38 -1.43 -3.13 115.31 112.53 1n63 h LEU 807 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1n63 h LEU 807 Cb 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 1n63 h LEU 807 CO 0.00 0.00 0.00 1.41 0.09 0.00 0.00 178.44 179.94 1n63 n HIS 808 N -2.93 0.74 0.00 1.13 8.25 -1.26 -5.01 115.22 116.14 1n63 n HIS 808 Ca 0.02 -0.40 0.00 0.00 -0.26 0.00 0.00 57.72 57.07 1n63 n HIS 808 Cb 0.33 -0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.44 1n63 n HIS 808 CO 0.00 0.00 0.00 1.55 0.64 0.00 0.00 176.34 178.53