#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1s64 s LEU 56 N 0.00 3.35 0.80 4.37 2.96 -1.26 -5.01 118.68 123.89 1s64 s LEU 56 Ca 0.00 0.01 -0.14 0.00 -0.22 0.00 0.00 54.13 53.79 1s64 s LEU 56 Cb 0.00 -2.94 0.07 0.00 0.50 0.00 0.00 46.19 43.82 1s64 s LEU 56 CO 0.00 -1.69 1.18 -0.24 -1.32 0.00 0.00 176.35 174.28 1s64 n SER 57 N 9.22 0.99 0.12 3.68 2.88 -1.26 -4.93 113.62 124.32 1s64 n SER 57 Ca 0.09 0.60 0.12 0.00 -1.33 0.00 0.00 58.87 58.35 1s64 n SER 57 Cb 0.49 -1.50 0.46 0.00 -0.75 0.00 0.00 64.21 62.91 1s64 n SER 57 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 1s64 n LEU 58 N -3.04 0.74 -0.16 2.46 4.77 -1.26 -2.99 117.00 117.52 1s64 n LEU 58 Ca 0.14 0.63 0.03 0.00 -0.03 0.00 0.00 56.01 56.78 1s64 n LEU 58 Cb 0.50 -0.47 0.06 0.00 -2.33 0.00 0.00 43.42 41.19 1s64 n LEU 58 CO 0.48 -0.41 0.54 -0.90 -1.33 0.00 0.00 177.39 175.78 1s64 n ASP 59 N -2.26 2.31 -4.77 -1.43 5.68 -1.26 -4.97 116.55 109.86 1s64 n ASP 59 Ca 0.04 -2.24 -0.39 0.00 -0.50 0.00 0.00 54.79 51.70 1s64 n ASP 59 Cb 0.31 -0.14 -0.02 0.00 -1.14 0.00 0.00 41.12 40.13 1s64 n ASP 59 CO 0.00 0.00 0.00 -0.55 -1.33 0.00 0.00 177.20 175.32 1s64 s SER 60 N -1.37 6.62 0.36 -1.12 0.15 -1.16 -4.89 113.70 112.29 1s64 s SER 60 Ca 0.12 2.45 0.08 0.00 0.70 0.00 0.00 55.95 59.29 1s64 s SER 60 Cb 0.09 -2.63 0.79 0.00 -1.71 0.00 0.00 66.02 62.56 1s64 s SER 60 CO 0.04 -0.62 1.92 -0.65 1.20 0.00 0.00 173.24 175.13 1s64 h PRO 61 N 2.92 0.69 -0.79 5.44 0.11 -1.95 -1.77 132.00 136.65 1s64 h PRO 61 Ca -0.49 -0.04 -0.02 0.00 0.11 0.00 0.00 66.00 65.57 1s64 h PRO 61 Cb 1.23 -0.16 -0.01 0.00 0.11 0.00 0.00 31.00 32.18 1s64 h PRO 61 CO 0.64 0.46 0.02 0.25 -0.21 0.00 0.00 178.00 179.16 1s64 n THR 62 N -4.51 1.52 -2.15 -1.15 -2.24 -1.26 -4.95 114.28 99.53 1s64 n THR 62 Ca 0.14 -0.76 -0.41 0.00 -2.27 0.00 0.00 64.05 60.74 1s64 n THR 62 Cb 0.35 -0.40 -0.03 0.00 -2.10 0.00 0.00 70.33 68.15 1s64 n THR 62 CO 0.00 0.00 0.00 -0.47 -0.57 0.00 0.00 175.07 174.03 1s64 s TYR 63 N -1.93 3.14 -0.05 4.78 6.14 -0.67 -5.02 117.35 123.74 1s64 s TYR 63 Ca 0.29 1.32 0.04 0.00 0.64 0.00 0.00 57.07 59.37 1s64 s TYR 63 Cb 0.22 -3.65 -0.00 0.00 0.42 0.00 0.00 41.96 38.95 1s64 s TYR 63 CO 0.08 -1.89 -0.18 0.08 0.64 0.00 0.00 175.55 174.28 1s64 s VAL 64 N -0.63 1.52 0.69 3.14 1.01 -1.26 -5.04 120.40 119.83 1s64 s VAL 64 Ca 0.52 -0.75 -0.17 0.00 0.00 0.00 0.00 61.98 61.58 1s64 s VAL 64 Cb -0.39 -1.31 0.00 0.00 0.00 0.00 0.00 36.38 34.68 1s64 s VAL 64 CO 0.46 0.44 1.08 0.18 0.00 0.00 0.00 175.10 177.26 1s64 n LEU 65 N 3.25 4.31 0.23 3.92 4.77 -1.26 -4.87 117.00 127.35 1s64 n LEU 65 Ca -0.19 0.72 0.09 0.00 -0.03 0.00 0.00 56.01 56.61 1s64 n LEU 65 Cb 0.53 -1.45 0.56 0.00 -2.33 0.00 0.00 43.42 40.73 1s64 n LEU 65 CO 0.25 -1.70 0.87 1.88 -1.33 0.00 0.00 177.39 177.36 1s64 h TYR 66 N 0.01 0.00 0.00 -1.77 0.05 -1.95 -1.93 116.97 111.38 1s64 h TYR 66 Ca -0.48 0.00 -0.01 0.00 0.05 0.00 0.00 58.73 58.28 1s64 h TYR 66 Cb 1.34 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 39.08 1s64 h TYR 66 CO 0.40 0.21 -0.06 0.07 -1.05 0.00 0.00 178.16 177.74 1s64 h ARG 67 N 0.00 0.00 -0.48 4.88 0.11 -1.91 -2.44 114.38 114.55 1s64 h ARG 67 Ca -0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 1s64 h ARG 67 Cb 0.51 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.59 1s64 h ARG 67 CO 0.03 0.06 0.00 -0.25 0.10 0.00 0.00 179.97 179.91 1s64 n ASP 68 N -3.27 3.67 -4.75 0.08 8.00 -0.73 -4.95 116.55 114.60 1s64 n ASP 68 Ca -0.01 -2.25 -0.36 0.00 0.71 0.00 0.00 54.79 52.89 1s64 n ASP 68 Cb 0.25 -0.40 -0.07 0.00 -0.02 0.00 0.00 41.12 40.88 1s64 n ASP 68 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 1s64 s ARG 69 N -1.45 4.11 0.22 -1.24 0.52 -0.92 -4.93 118.95 115.26 1s64 s ARG 69 Ca 0.37 -0.04 -0.07 0.00 -0.52 0.00 0.00 55.73 55.46 1s64 s ARG 69 Cb 0.22 -3.38 0.17 0.00 0.52 0.00 0.00 34.95 32.48 1s64 s ARG 69 CO 0.20 0.35 1.77 0.00 0.02 0.00 0.00 175.30 177.64 1s64 h ALA 70 N 6.37 1.04 0.00 2.13 0.00 -1.92 -2.43 119.26 124.45 1s64 h ALA 70 Ca -0.43 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.27 1s64 h ALA 70 Cb 1.17 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 18.66 1s64 h ALA 70 CO 0.73 0.66 0.00 0.93 0.00 0.00 0.00 179.25 181.57 1s64 h GLU 71 N 1.13 0.00 -0.21 0.00 3.07 -1.94 -1.31 114.58 115.32 1s64 h GLU 71 Ca 0.25 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.11 1s64 h GLU 71 Cb 0.26 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.17 1s64 h GLU 71 CO -0.02 0.00 0.00 0.91 -1.40 0.00 0.00 179.01 178.50 1s64 n TRP 72 N -2.33 0.55 -0.11 4.33 7.02 -0.92 -4.67 117.44 121.31 1s64 n TRP 72 Ca -0.01 -0.76 -0.06 0.00 -1.02 0.00 0.00 57.50 55.65 1s64 n TRP 72 Cb 0.05 -0.18 0.12 0.00 -2.42 0.00 0.00 31.31 28.88 1s64 n TRP 72 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 1s64 h ALA 73 N 1.36 0.98 0.00 6.99 0.00 -1.18 -2.95 119.26 124.46 1s64 h ALA 73 Ca 0.00 -0.31 -0.04 0.00 0.00 0.00 0.00 54.91 54.56 1s64 h ALA 73 Cb 1.08 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.68 1s64 h ALA 73 CO 0.10 0.61 -0.17 0.38 0.00 0.00 0.00 179.25 180.17 1s64 h ASP 74 N 0.74 0.00 -3.44 0.00 -0.00 -1.83 -3.44 116.42 108.45 1s64 h ASP 74 Ca 0.13 0.00 -0.54 0.00 -0.00 0.00 0.00 57.03 56.62 1s64 h ASP 74 Cb 0.58 0.00 -0.04 0.00 -0.00 0.00 0.00 39.33 39.87 1s64 h ASP 74 CO 0.04 0.17 0.14 -0.63 -0.00 0.00 0.00 179.24 178.95 1s64 s ILE 75 N -4.13 4.59 -0.38 4.15 -1.09 -1.12 -5.05 121.20 118.17 1s64 s ILE 75 Ca -0.02 1.60 -0.14 0.00 -2.23 0.00 0.00 60.65 59.86 1s64 s ILE 75 Cb 0.13 -4.10 0.01 0.00 -1.58 0.00 0.00 42.46 36.92 1s64 s ILE 75 CO 0.61 0.45 0.27 -1.81 -1.23 0.00 0.00 174.94 173.24 1s64 s ASP 76 N -0.62 6.04 0.57 3.58 1.01 -1.26 -5.04 116.67 120.95 1s64 s ASP 76 Ca 0.36 -0.76 -0.20 0.00 0.71 0.00 0.00 52.55 52.65 1s64 s ASP 76 Cb -0.21 -2.14 -0.05 0.00 1.01 0.00 0.00 42.92 41.53 1s64 s ASP 76 CO 0.24 -0.38 1.19 -0.81 0.21 0.00 0.00 175.17 175.62 1s64 n PRO 77 N 5.12 1.30 -3.95 8.23 -0.04 -1.26 -4.76 135.00 139.64 1s64 n PRO 77 Ca -0.12 0.49 -0.35 0.00 -0.04 0.00 0.00 63.50 63.48 1s64 n PRO 77 Cb 0.48 -2.39 -0.14 0.00 -0.04 0.00 0.00 33.50 31.41 1s64 n PRO 77 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1s64 s VAL 78 N -1.38 3.09 0.47 0.52 1.01 0.04 -4.96 120.40 119.19 1s64 s VAL 78 Ca 0.74 -0.63 -0.08 0.00 0.00 0.00 0.00 61.98 62.01 1s64 s VAL 78 Cb -0.42 -2.41 -0.05 0.00 0.00 0.00 0.00 36.38 33.50 1s64 s VAL 78 CO 0.47 0.42 0.81 -2.16 0.00 0.00 0.00 175.10 174.64 1s64 s PRO 79 N 1.43 3.65 0.00 2.72 0.04 -1.26 -4.38 135.00 137.20 1s64 s PRO 79 Ca 0.05 0.38 -0.17 0.00 0.04 0.00 0.00 61.00 61.30 1s64 s PRO 79 Cb -0.14 -2.34 -0.06 0.00 0.04 0.00 0.00 34.50 32.00 1s64 s PRO 79 CO -0.05 -0.18 0.48 -1.14 0.04 0.00 0.00 177.00 176.15 1s64 s GLN 80 N -4.42 4.10 -0.14 4.56 0.74 -1.26 -5.07 119.66 118.17 1s64 s GLN 80 Ca 0.50 0.54 -0.03 0.00 0.05 0.00 0.00 55.36 56.42 1s64 s GLN 80 Cb -0.10 -3.27 0.05 0.00 1.10 0.00 0.00 33.01 30.78 1s64 s GLN 80 CO 0.40 0.56 0.04 0.54 -0.55 0.00 0.00 175.29 176.29 1s64 s ASN 81 N -0.74 2.28 -0.02 6.67 2.20 -1.26 -5.00 114.94 119.07 1s64 s ASN 81 Ca 0.26 -0.50 0.07 0.00 -0.94 0.00 0.00 52.86 51.75 1s64 s ASN 81 Cb -0.17 -0.44 0.23 0.00 -2.00 0.00 0.00 41.25 38.87 1s64 s ASN 81 CO 0.15 -0.28 1.10 0.47 -2.94 0.00 0.00 177.10 175.60 1s64 n ASP 82 N 5.15 1.69 -0.16 3.54 9.92 -1.26 -5.03 116.55 130.39 1s64 n ASP 82 Ca -0.08 -2.09 0.00 0.00 -0.53 0.00 0.00 54.79 52.09 1s64 n ASP 82 Cb 0.49 -0.28 -0.00 0.00 -0.64 0.00 0.00 41.12 40.68 1s64 n ASP 82 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1s64 n GLY 83 N 0.69 -1.95 0.24 0.44 0.00 -1.26 -4.18 105.19 99.18 1s64 n GLY 83 Ca 0.09 -1.37 -0.10 0.00 0.00 0.00 0.00 46.02 44.64 1s64 n GLY 83 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1s64 h PRO 84 N 0.00 -0.26 -3.91 1.61 0.13 -2.06 -3.37 132.00 124.13 1s64 h PRO 84 Ca 0.00 0.02 -0.65 0.00 -0.87 0.00 0.00 66.00 64.50 1s64 h PRO 84 Cb 0.02 0.06 -0.41 0.00 0.13 0.00 0.00 31.00 30.80 1s64 h PRO 84 CO 0.00 -0.18 -0.66 -1.12 -0.23 0.00 0.00 178.00 175.81 1s64 s SER 85 N -4.99 4.51 0.36 1.44 0.01 -1.26 -5.10 113.70 108.66 1s64 s SER 85 Ca -0.15 -2.67 -0.26 0.00 1.31 0.00 0.00 55.95 54.18 1s64 s SER 85 Cb 0.10 -1.64 -0.09 0.00 0.21 0.00 0.00 66.02 64.60 1s64 s SER 85 CO 0.67 -0.29 1.10 -2.16 0.41 0.00 0.00 173.24 172.96 1s64 s PRO 86 N 0.19 4.31 -0.05 12.44 0.04 -1.26 -5.06 135.00 145.61 1s64 s PRO 86 Ca 0.15 1.70 0.04 0.00 0.04 0.00 0.00 61.00 62.92 1s64 s PRO 86 Cb -0.23 -2.80 -0.03 0.00 0.04 0.00 0.00 34.50 31.48 1s64 s PRO 86 CO -0.03 -0.06 -0.14 0.08 0.04 0.00 0.00 177.00 176.89 1s64 s VAL 87 N -1.42 3.10 -1.43 -0.36 1.01 -1.26 -4.63 120.40 115.40 1s64 s VAL 87 Ca 0.53 -0.72 -0.00 0.00 0.00 0.00 0.00 61.98 61.79 1s64 s VAL 87 Cb -0.28 -2.22 0.00 0.00 0.00 0.00 0.00 36.38 33.89 1s64 s VAL 87 CO 0.35 0.59 0.36 0.52 0.00 0.00 0.00 175.10 176.92 1s64 n VAL 88 N 2.29 -2.74 -2.76 2.92 0.31 -1.26 -4.88 118.33 112.20 1s64 n VAL 88 Ca -0.17 -0.49 -0.42 0.00 -0.01 0.00 0.00 64.34 63.24 1s64 n VAL 88 Cb 0.52 -2.40 -0.03 0.00 -0.91 0.00 0.00 33.84 31.02 1s64 n VAL 88 CO 0.00 0.00 0.00 -1.58 -1.32 0.00 0.00 176.83 173.93 1s64 s GLN 89 N -6.68 4.36 -0.16 5.55 0.74 -1.26 -5.04 119.66 117.18 1s64 s GLN 89 Ca 0.01 1.25 -0.13 0.00 0.05 0.00 0.00 55.36 56.54 1s64 s GLN 89 Cb -0.01 -3.56 -0.05 0.00 1.10 0.00 0.00 33.01 30.50 1s64 s GLN 89 CO 0.90 -0.34 0.26 0.42 -0.55 0.00 0.00 175.29 175.99 1s64 s ILE 90 N 2.14 5.32 0.07 -2.34 1.01 -1.26 -5.07 121.20 121.08 1s64 s ILE 90 Ca 0.44 0.48 -0.24 0.00 0.00 0.00 0.00 60.65 61.33 1s64 s ILE 90 Cb -0.17 -3.60 -0.06 0.00 0.01 0.00 0.00 42.46 38.64 1s64 s ILE 90 CO 0.15 0.41 0.74 0.27 0.00 0.00 0.00 174.94 176.51 1s64 s ILE 91 N 0.33 4.65 0.05 2.92 -5.25 -1.26 -5.06 121.20 117.59 1s64 s ILE 91 Ca 0.15 1.58 0.07 0.00 -0.99 0.00 0.00 60.65 61.46 1s64 s ILE 91 Cb -0.13 -4.09 -0.03 0.00 2.95 0.00 0.00 42.46 41.16 1s64 s ILE 91 CO 0.03 0.43 -0.16 -0.31 -1.79 0.00 0.00 174.94 173.14 1s64 s TYR 92 N -0.43 2.62 0.81 1.37 1.51 -1.26 -5.12 117.35 116.85 1s64 s TYR 92 Ca 0.36 -0.22 -0.11 0.00 -1.01 0.00 0.00 57.07 56.09 1s64 s TYR 92 Cb -0.21 -1.46 0.08 0.00 -0.11 0.00 0.00 41.96 40.26 1s64 s TYR 92 CO 0.23 0.31 1.09 -1.54 -1.11 0.00 0.00 175.55 174.53 1s64 s SER 93 N -1.62 4.26 0.18 2.29 1.04 -1.26 -4.76 113.70 113.83 1s64 s SER 93 Ca 0.16 1.47 -0.14 0.00 0.48 0.00 0.00 55.95 57.92 1s64 s SER 93 Cb -0.11 -2.20 0.15 0.00 0.10 0.00 0.00 66.02 63.96 1s64 s SER 93 CO 0.07 -2.14 1.72 -0.08 0.98 0.00 0.00 173.24 173.80 1s64 h GLU 94 N -1.20 0.23 -0.38 4.02 4.57 -2.00 -0.59 114.58 119.22 1s64 h GLU 94 Ca -0.47 -0.01 0.02 0.00 -1.18 0.00 0.00 59.36 57.72 1s64 h GLU 94 Cb 1.26 -0.05 -0.03 0.00 -0.16 0.00 0.00 28.75 29.77 1s64 h GLU 94 CO 0.56 0.15 0.21 -0.22 -1.18 0.00 0.00 179.01 178.53 1s64 h LYS 95 N 0.23 0.41 0.31 1.92 3.64 -1.99 -0.27 116.57 120.82 1s64 h LYS 95 Ca 0.22 -0.02 -0.02 0.00 -1.27 0.00 0.00 60.65 59.56 1s64 h LYS 95 Cb 0.27 -0.09 0.00 0.00 -0.41 0.00 0.00 32.23 32.00 1s64 h LYS 95 CO -0.28 0.27 -0.15 0.35 -2.27 0.00 0.00 179.45 177.37 1s64 h PHE 96 N 0.42 -0.39 -0.40 1.91 3.57 -1.80 -2.33 116.94 117.92 1s64 h PHE 96 Ca 0.16 -0.01 0.01 0.00 3.53 0.00 0.00 57.97 61.66 1s64 h PHE 96 Cb 0.04 0.13 -0.02 0.00 2.79 0.00 0.00 35.95 38.89 1s64 h PHE 96 CO -0.09 -0.13 0.27 -0.09 -2.23 0.00 0.00 178.31 176.04 1s64 h ARG 97 N -0.60 0.49 0.07 1.11 2.43 -1.05 -2.33 114.38 114.50 1s64 h ARG 97 Ca -0.04 -0.03 -0.00 0.00 -0.81 0.00 0.00 59.98 59.09 1s64 h ARG 97 Cb 0.43 -0.11 0.00 0.00 -0.42 0.00 0.00 29.97 29.87 1s64 h ARG 97 CO 0.07 0.32 -0.03 0.22 -1.51 0.00 0.00 179.97 179.04 1s64 h ASP 98 N 0.50 -0.08 -0.31 -3.80 1.82 -0.89 0.41 116.42 114.07 1s64 h ASP 98 Ca 0.15 -0.21 0.03 0.00 -0.39 0.00 0.00 57.03 56.61 1s64 h ASP 98 Cb 0.00 0.02 -0.03 0.00 0.68 0.00 0.00 39.33 40.00 1s64 h ASP 98 CO -0.04 0.17 0.11 0.58 -1.61 0.00 0.00 179.24 178.45 1s64 h VAL 99 N -0.33 0.92 0.00 2.25 2.07 -1.08 -2.70 116.25 117.37 1s64 h VAL 99 Ca -0.01 -0.08 -0.07 0.00 0.82 0.00 0.00 66.70 67.35 1s64 h VAL 99 Cb 0.29 0.65 -0.01 0.00 -1.52 0.00 0.00 31.29 30.70 1s64 h VAL 99 CO 0.02 0.05 -0.35 1.88 0.02 0.00 0.00 177.57 179.18 1s64 h TYR 100 N 0.25 0.00 -0.17 1.57 0.05 -1.40 -0.86 116.97 116.41 1s64 h TYR 100 Ca 0.14 0.00 -0.09 0.00 0.05 0.00 0.00 58.73 58.83 1s64 h TYR 100 Cb 0.11 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 37.84 1s64 h TYR 100 CO -0.14 0.35 -0.28 -0.44 -1.05 0.00 0.00 178.16 176.60 1s64 h ASP 101 N 0.00 0.31 0.82 3.88 3.32 -0.60 -0.88 116.42 123.28 1s64 h ASP 101 Ca -0.00 -0.10 -0.23 0.00 0.02 0.00 0.00 57.03 56.71 1s64 h ASP 101 Cb 0.93 -0.09 -0.04 0.00 0.22 0.00 0.00 39.33 40.35 1s64 h ASP 101 CO 0.05 0.59 -1.26 1.88 -1.72 0.00 0.00 179.24 178.78 1s64 h TYR 102 N 0.28 0.00 -0.49 4.55 -1.99 -1.26 0.18 116.97 118.24 1s64 h TYR 102 Ca 0.04 0.00 -0.02 0.00 2.00 0.00 0.00 58.73 60.75 1s64 h TYR 102 Cb 0.64 0.00 -0.02 0.00 2.00 0.00 0.00 36.73 39.35 1s64 h TYR 102 CO 0.01 0.96 0.22 0.35 -0.00 0.00 0.00 178.16 179.70 1s64 h PHE 103 N 0.00 0.72 -1.00 4.88 3.57 -0.78 -1.07 116.94 123.26 1s64 h PHE 103 Ca -0.12 -0.04 0.01 0.00 3.53 0.00 0.00 57.97 61.35 1s64 h PHE 103 Cb 1.84 -0.22 -0.05 0.00 2.79 0.00 0.00 35.95 40.31 1s64 h PHE 103 CO 0.00 0.58 0.66 0.00 -2.23 0.00 0.00 178.31 177.33 1s64 h ARG 104 N 0.65 1.31 0.18 1.11 3.08 -1.24 -0.21 114.38 119.26 1s64 h ARG 104 Ca 0.17 -0.08 -0.01 0.00 0.07 0.00 0.00 59.98 60.13 1s64 h ARG 104 Cb 0.15 -0.30 0.00 0.00 0.08 0.00 0.00 29.97 29.90 1s64 h ARG 104 CO -0.02 0.87 -0.09 0.00 -1.07 0.00 0.00 179.97 179.66 1s64 h ALA 105 N 1.38 -0.24 -0.90 0.04 0.00 -1.33 0.26 119.26 118.47 1s64 h ALA 105 Ca 0.37 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 55.20 1s64 h ALA 105 Cb -0.13 0.09 -0.04 0.00 0.00 0.00 0.00 17.79 17.71 1s64 h ALA 105 CO -0.09 -0.61 0.53 0.28 0.00 0.00 0.00 179.25 179.37 1s64 h VAL 106 N -0.30 1.25 0.16 0.00 2.07 -0.92 -2.68 116.25 115.84 1s64 h VAL 106 Ca -0.02 -0.56 -0.01 0.00 0.82 0.00 0.00 66.70 66.93 1s64 h VAL 106 Cb 0.23 -0.01 0.00 0.00 -1.52 0.00 0.00 31.29 29.99 1s64 h VAL 106 CO 0.04 0.27 -0.08 -0.07 0.02 0.00 0.00 177.57 177.75 1s64 h LEU 107 N 1.24 -0.18 -1.67 2.57 3.38 -0.86 -1.43 115.31 118.37 1s64 h LEU 107 Ca 0.32 -0.20 0.22 0.00 0.09 0.00 0.00 57.88 58.32 1s64 h LEU 107 Cb -0.04 0.05 -0.06 0.00 0.09 0.00 0.00 40.66 40.70 1s64 h LEU 107 CO -0.06 0.10 0.61 -0.61 0.09 0.00 0.00 178.44 178.57 1s64 h GLN 108 N -0.47 0.26 -0.26 1.13 4.15 -0.84 0.19 115.11 119.27 1s64 h GLN 108 Ca -0.02 -0.02 0.00 0.00 0.77 0.00 0.00 58.65 59.38 1s64 h GLN 108 Cb 0.37 -0.06 0.00 0.00 0.21 0.00 0.00 27.48 28.00 1s64 h GLN 108 CO 0.04 0.17 0.00 0.54 -1.93 0.00 0.00 178.83 177.65 1s64 n ARG 109 N -4.44 2.43 -4.13 1.69 1.74 -1.02 -4.96 116.66 107.97 1s64 n ARG 109 Ca 0.19 -2.16 -0.31 0.00 -0.77 0.00 0.00 57.85 54.80 1s64 n ARG 109 Cb 0.78 -1.49 -0.04 0.00 -1.02 0.00 0.00 32.46 30.69 1s64 n ARG 109 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 1s64 n ASP 110 N 1.44 -1.33 -4.59 0.55 4.64 0.66 -4.85 116.55 113.07 1s64 n ASP 110 Ca 0.17 -1.06 -0.43 0.00 -1.38 0.00 0.00 54.79 52.10 1s64 n ASP 110 Cb 0.60 -2.68 -0.02 0.00 -1.04 0.00 0.00 41.12 37.98 1s64 n ASP 110 CO 0.00 0.00 0.00 -0.70 -0.82 0.00 0.00 177.20 175.68 1s64 s GLU 111 N -6.85 3.46 -1.41 -0.67 2.12 -0.79 -4.92 118.70 109.65 1s64 s GLU 111 Ca 0.32 0.87 -0.07 0.00 0.36 0.00 0.00 54.97 56.44 1s64 s GLU 111 Cb -0.17 -4.07 0.06 0.00 0.26 0.00 0.00 34.13 30.21 1s64 s GLU 111 CO 0.93 -1.71 2.50 0.54 -0.54 0.00 0.00 175.26 176.97 1s64 n ARG 112 N 8.27 4.21 -3.49 4.30 5.12 -1.26 -4.83 116.66 128.99 1s64 n ARG 112 Ca 0.16 -3.10 -0.20 0.00 -1.93 0.00 0.00 57.85 52.79 1s64 n ARG 112 Cb 0.48 -2.72 -0.02 0.00 -1.16 0.00 0.00 32.46 29.03 1s64 n ARG 112 CO 0.00 0.00 0.00 -1.54 -1.93 0.00 0.00 177.63 174.16 1s64 s SER 113 N 1.00 5.20 0.18 0.55 1.04 -1.26 -4.85 113.70 115.56 1s64 s SER 113 Ca 0.57 -0.65 0.00 0.00 0.48 0.00 0.00 55.95 56.35 1s64 s SER 113 Cb 0.17 -0.64 0.07 0.00 0.10 0.00 0.00 66.02 65.72 1s64 s SER 113 CO -0.08 -0.64 1.43 -0.33 0.98 0.00 0.00 173.24 174.61 1s64 h GLU 114 N 0.98 0.32 -0.27 4.02 4.39 -2.00 -2.46 114.58 119.56 1s64 h GLU 114 Ca -0.42 -0.28 -0.10 0.00 0.34 0.00 0.00 59.36 58.91 1s64 h GLU 114 Cb 1.27 0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 29.97 1s64 h GLU 114 CO 0.55 0.94 -0.25 0.07 -1.16 0.00 0.00 179.01 179.16 1s64 h ARG 115 N 0.21 0.53 -0.50 2.33 0.11 -1.97 -2.12 114.38 112.96 1s64 h ARG 115 Ca -0.03 -0.20 -0.09 0.00 0.10 0.00 0.00 59.98 59.76 1s64 h ARG 115 Cb 1.34 -0.03 -0.02 0.00 1.11 0.00 0.00 29.97 32.37 1s64 h ARG 115 CO 0.12 0.73 -0.02 0.00 0.10 0.00 0.00 179.97 180.90 1s64 h ALA 116 N 1.27 0.68 -0.65 0.08 0.00 -1.86 -0.79 119.26 117.99 1s64 h ALA 116 Ca 0.07 -0.30 0.04 0.00 0.00 0.00 0.00 54.91 54.72 1s64 h ALA 116 Cb 0.68 -0.18 -0.05 0.00 0.00 0.00 0.00 17.79 18.24 1s64 h ALA 116 CO 0.05 0.51 0.38 0.35 0.00 0.00 0.00 179.25 180.54 1s64 h PHE 117 N 0.76 0.71 -0.14 0.00 3.57 -1.06 -1.15 116.94 119.62 1s64 h PHE 117 Ca 0.14 0.02 -0.10 0.00 3.53 0.00 0.00 57.97 61.57 1s64 h PHE 117 Cb 0.55 -0.22 -0.01 0.00 2.79 0.00 0.00 35.95 39.06 1s64 h PHE 117 CO 0.04 0.37 -0.34 0.87 -2.23 0.00 0.00 178.31 177.03 1s64 h LYS 118 N 0.73 0.29 -0.48 1.11 1.57 -1.12 -2.74 116.57 115.92 1s64 h LYS 118 Ca 0.28 -0.12 -0.05 0.00 -1.87 0.00 0.00 60.65 58.89 1s64 h LYS 118 Cb 0.10 -0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.38 1s64 h LYS 118 CO -0.14 0.60 0.09 1.25 -0.57 0.00 0.00 179.45 180.68 1s64 h LEU 119 N 0.25 0.69 -1.54 2.94 5.85 0.02 -2.46 115.31 121.07 1s64 h LEU 119 Ca 0.03 -0.12 -0.05 0.00 0.84 0.00 0.00 57.88 58.58 1s64 h LEU 119 Cb 0.72 -0.18 -0.01 0.00 0.37 0.00 0.00 40.66 41.56 1s64 h LEU 119 CO 0.05 0.70 -0.19 0.71 -0.34 0.00 0.00 178.44 179.37 1s64 h THR 120 N 0.71 1.16 -0.74 1.05 1.35 -1.00 -1.55 112.91 113.88 1s64 h THR 120 Ca 0.16 -0.74 -0.03 0.00 -0.55 0.00 0.00 66.41 65.25 1s64 h THR 120 Cb 0.30 1.35 -0.03 0.00 -1.73 0.00 0.00 68.15 68.04 1s64 h THR 120 CO 0.00 0.22 0.36 -0.09 -0.25 0.00 0.00 175.52 175.75 1s64 h ARG 121 N 0.05 1.06 -0.13 4.72 2.43 -1.44 0.62 114.38 121.69 1s64 h ARG 121 Ca 0.01 -0.15 -0.21 0.00 -0.81 0.00 0.00 59.98 58.82 1s64 h ARG 121 Cb 0.37 -0.20 0.01 0.00 -0.42 0.00 0.00 29.97 29.74 1s64 h ARG 121 CO 0.03 0.82 -0.74 -0.44 -1.51 0.00 0.00 179.97 178.12 1s64 h ASP 122 N 1.06 0.88 -0.85 -3.80 3.45 -1.36 -2.21 116.42 113.59 1s64 h ASP 122 Ca 0.26 -0.64 -0.02 0.00 0.43 0.00 0.00 57.03 57.06 1s64 h ASP 122 Cb 0.11 -0.26 -0.04 0.00 -0.56 0.00 0.00 39.33 38.57 1s64 h ASP 122 CO -0.03 1.38 0.46 0.00 -1.57 0.00 0.00 179.24 179.47 1s64 h ALA 123 N 0.52 1.20 -0.37 3.45 0.00 -0.99 -1.42 119.26 121.64 1s64 h ALA 123 Ca -0.06 -0.13 -0.13 0.00 0.00 0.00 0.00 54.91 54.59 1s64 h ALA 123 Cb 1.38 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 18.82 1s64 h ALA 123 CO 0.15 0.64 -0.29 0.82 0.00 0.00 0.00 179.25 180.58 1s64 h ILE 124 N 1.19 1.28 -0.28 0.00 2.04 -0.85 -0.85 117.51 120.04 1s64 h ILE 124 Ca 0.30 -1.43 -0.06 0.00 1.00 0.00 0.00 64.86 64.67 1s64 h ILE 124 Cb 0.04 1.29 -0.02 0.00 -0.74 0.00 0.00 36.82 37.40 1s64 h ILE 124 CO -0.05 0.47 -0.10 -0.08 0.00 0.00 0.00 178.15 178.39 1s64 h GLU 125 N 0.68 0.46 -0.03 2.37 4.81 -0.78 -1.92 114.58 120.16 1s64 h GLU 125 Ca 0.08 -0.12 -0.20 0.00 -0.13 0.00 0.00 59.36 58.99 1s64 h GLU 125 Cb 0.82 -0.05 -0.00 0.00 0.63 0.00 0.00 28.75 30.14 1s64 h GLU 125 CO 0.07 0.57 -0.83 -0.07 -0.73 0.00 0.00 179.01 178.02 1s64 h LEU 126 N 0.43 0.44 -6.02 1.64 3.38 -0.97 -3.43 115.31 110.79 1s64 h LEU 126 Ca 0.08 -0.33 -0.04 0.00 0.09 0.00 0.00 57.88 57.68 1s64 h LEU 126 Cb 0.45 -0.13 -0.20 0.00 0.09 0.00 0.00 40.66 40.86 1s64 h LEU 126 CO 0.02 1.10 -0.44 0.21 0.09 0.00 0.00 178.44 179.42 1s64 s ASN 127 N -7.00 -1.45 0.00 -0.43 2.47 -0.35 -5.01 114.94 103.17 1s64 s ASN 127 Ca -0.05 -0.49 0.20 0.00 0.42 0.00 0.00 52.86 52.95 1s64 s ASN 127 Cb 0.10 1.93 1.11 0.00 -1.45 0.00 0.00 41.25 42.94 1s64 s ASN 127 CO 0.85 -0.22 1.61 0.00 -3.72 0.00 0.00 177.10 175.62 1s64 n ALA 128 N 4.75 2.15 1.28 1.71 0.00 -0.75 -2.88 120.51 126.78 1s64 n ALA 128 Ca 0.09 -0.11 0.13 0.00 0.00 0.00 0.00 53.44 53.55 1s64 n ALA 128 Cb 0.56 -1.33 0.34 0.00 0.00 0.00 0.00 19.45 19.02 1s64 n ALA 128 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1s64 n ALA 129 N -1.15 2.61 -2.63 0.00 0.00 -1.26 -4.72 120.51 113.36 1s64 n ALA 129 Ca 0.12 -0.54 -0.42 0.00 0.00 0.00 0.00 53.44 52.61 1s64 n ALA 129 Cb 0.11 -1.02 -0.03 0.00 0.00 0.00 0.00 19.45 18.51 1s64 n ALA 129 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 1s64 s ASN 130 N -2.05 6.28 0.45 0.00 3.84 -1.14 -4.88 114.94 117.45 1s64 s ASN 130 Ca 0.33 -0.91 0.13 0.00 0.21 0.00 0.00 52.86 52.62 1s64 s ASN 130 Cb 0.20 -2.53 1.05 0.00 -0.55 0.00 0.00 41.25 39.43 1s64 s ASN 130 CO 0.34 -1.63 2.04 0.10 -2.79 0.00 0.00 177.10 175.16 1s64 h TYR 131 N 9.81 0.34 -0.74 0.43 -0.00 -1.92 -1.96 116.97 122.93 1s64 h TYR 131 Ca -0.13 0.01 -0.04 0.00 0.00 0.00 0.00 58.73 58.57 1s64 h TYR 131 Cb 1.04 -0.11 -0.03 0.00 0.00 0.00 0.00 36.73 37.62 1s64 h TYR 131 CO 1.14 0.19 0.31 1.15 -0.00 0.00 0.00 178.16 180.96 1s64 h THR 132 N 0.35 1.25 -0.44 -0.90 2.02 -1.99 -0.99 112.91 112.21 1s64 h THR 132 Ca 0.18 -0.76 0.00 0.00 0.77 0.00 0.00 66.41 66.60 1s64 h THR 132 Cb 0.28 0.36 -0.02 0.00 -1.74 0.00 0.00 68.15 67.03 1s64 h THR 132 CO -0.04 0.31 0.29 0.58 0.37 0.00 0.00 175.52 177.03 1s64 h VAL 133 N 1.06 1.11 -0.43 3.16 2.07 -1.76 -0.60 116.25 120.87 1s64 h VAL 133 Ca 0.25 -0.21 -0.05 0.00 0.82 0.00 0.00 66.70 67.51 1s64 h VAL 133 Cb 0.19 0.48 -0.02 0.00 -1.52 0.00 0.00 31.29 30.41 1s64 h VAL 133 CO -0.02 0.11 0.05 -0.50 0.02 0.00 0.00 177.57 177.23 1s64 h TRP 134 N 0.59 0.69 -0.11 1.57 4.06 -1.32 -0.36 115.95 121.07 1s64 h TRP 134 Ca 0.16 -0.07 -0.02 0.00 2.06 0.00 0.00 58.89 61.02 1s64 h TRP 134 Cb -0.06 -0.20 -0.00 0.00 -1.00 0.00 0.00 29.16 27.89 1s64 h TRP 134 CO -0.04 0.62 -0.00 1.25 -3.56 0.00 0.00 178.44 176.71 1s64 h HIS 135 N 0.64 0.20 -0.85 0.49 2.76 -0.65 -1.77 115.15 115.97 1s64 h HIS 135 Ca 0.14 -0.04 0.01 0.00 -2.20 0.00 0.00 60.37 58.29 1s64 h HIS 135 Cb 0.32 -0.05 -0.04 0.00 1.55 0.00 0.00 27.41 29.19 1s64 h HIS 135 CO 0.01 0.44 0.56 0.35 -1.30 0.00 0.00 177.93 177.99 1s64 h PHE 136 N -0.09 1.06 -0.84 5.26 3.57 -0.87 -0.46 116.94 124.56 1s64 h PHE 136 Ca 0.03 0.03 0.02 0.00 3.53 0.00 0.00 57.97 61.57 1s64 h PHE 136 Cb 0.36 -0.36 -0.04 0.00 2.79 0.00 0.00 35.95 38.70 1s64 h PHE 136 CO 0.03 0.66 0.56 -0.09 -2.23 0.00 0.00 178.31 177.24 1s64 h ARG 137 N 1.13 1.08 -0.41 1.11 2.43 -0.91 0.04 114.38 118.85 1s64 h ARG 137 Ca 0.32 -0.06 -0.11 0.00 -0.81 0.00 0.00 59.98 59.31 1s64 h ARG 137 Cb -0.11 -0.24 -0.01 0.00 -0.42 0.00 0.00 29.97 29.19 1s64 h ARG 137 CO -0.08 0.71 -0.20 0.00 -1.51 0.00 0.00 179.97 178.90 1s64 h ARG 138 N 1.11 0.81 -0.34 0.20 3.08 -0.29 0.10 114.38 119.05 1s64 h ARG 138 Ca 0.32 -0.32 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1s64 h ARG 138 Cb -0.08 -0.04 -0.02 0.00 0.08 0.00 0.00 29.97 29.91 1s64 h ARG 138 CO -0.08 0.94 0.22 0.28 -1.07 0.00 0.00 179.97 180.26 1s64 h VAL 139 N 0.71 1.10 -0.71 2.04 2.07 -0.01 -2.43 116.25 119.02 1s64 h VAL 139 Ca 0.10 -0.19 -0.07 0.00 0.82 0.00 0.00 66.70 67.36 1s64 h VAL 139 Cb 0.72 0.61 -0.03 0.00 -1.52 0.00 0.00 31.29 31.07 1s64 h VAL 139 CO 0.06 0.09 0.16 -0.07 0.02 0.00 0.00 177.57 177.83 1s64 h LEU 140 N 0.46 1.09 -1.48 2.57 3.38 -0.72 -0.40 115.31 120.20 1s64 h LEU 140 Ca 0.12 -0.24 0.10 0.00 0.09 0.00 0.00 57.88 57.95 1s64 h LEU 140 Cb -0.03 -0.29 -0.05 0.00 0.09 0.00 0.00 40.66 40.38 1s64 h LEU 140 CO -0.03 1.04 0.46 -0.07 0.09 0.00 0.00 178.44 179.94 1s64 h LEU 141 N 1.08 0.53 0.02 1.67 3.38 -0.40 0.34 115.31 121.92 1s64 h LEU 141 Ca 0.22 0.01 -0.00 0.00 0.09 0.00 0.00 57.88 58.20 1s64 h LEU 141 Cb 0.39 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.04 1s64 h LEU 141 CO 0.00 0.32 -0.01 0.03 0.09 0.00 0.00 178.44 178.87 1s64 h ARG 142 N 0.59 -0.02 -0.56 1.13 3.08 -1.00 -1.74 114.38 115.86 1s64 h ARG 142 Ca 0.32 0.00 0.11 0.00 0.07 0.00 0.00 59.98 60.49 1s64 h ARG 142 Cb 0.48 0.00 -0.10 0.00 0.08 0.00 0.00 29.97 30.44 1s64 h ARG 142 CO -0.11 0.42 -0.06 0.77 -1.07 0.00 0.00 179.97 179.93 1s64 h SER 143 N -0.99 -0.36 -0.06 7.04 0.02 -0.85 0.13 113.55 118.48 1s64 h SER 143 Ca -0.00 0.15 0.00 0.00 -0.84 0.00 0.00 61.79 61.10 1s64 h SER 143 Cb 0.45 0.28 0.00 0.00 0.14 0.00 0.00 62.40 63.28 1s64 h SER 143 CO 0.00 -0.13 0.00 0.18 -1.14 0.00 0.00 176.83 175.74 1s64 n LEU 144 N -5.31 1.03 -4.03 5.07 4.77 0.09 -4.94 117.00 113.69 1s64 n LEU 144 Ca 0.07 -0.39 -0.34 0.00 -0.03 0.00 0.00 56.01 55.32 1s64 n LEU 144 Cb 0.31 -0.03 -0.02 0.00 -2.33 0.00 0.00 43.42 41.35 1s64 n LEU 144 CO 0.11 0.20 -0.25 0.00 -1.33 0.00 0.00 177.39 176.12 1s64 n GLN 145 N -0.15 -1.50 -1.68 3.23 6.02 0.03 -4.91 117.38 118.42 1s64 n GLN 145 Ca 0.18 0.25 -0.32 0.00 -0.01 0.00 0.00 57.00 57.10 1s64 n GLN 145 Cb 0.25 -3.68 0.05 0.00 1.02 0.00 0.00 30.24 27.88 1s64 n GLN 145 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 177.06 176.20 1s64 s LYS 146 N -6.89 2.91 -0.25 -1.09 -0.14 -0.69 -4.94 119.74 108.65 1s64 s LYS 146 Ca 0.22 1.13 -0.29 0.00 -1.36 0.00 0.00 55.97 55.67 1s64 s LYS 146 Cb -0.10 -1.98 -0.03 0.00 -1.68 0.00 0.00 37.83 34.04 1s64 s LYS 146 CO 0.93 -1.13 1.80 0.34 -0.76 0.00 0.00 175.35 176.53 1s64 s ASP 147 N -3.25 6.04 0.47 2.83 3.68 -1.26 -4.86 116.67 120.32 1s64 s ASP 147 Ca 0.61 1.58 0.26 0.00 2.13 0.00 0.00 52.55 57.14 1s64 s ASP 147 Cb -0.16 -2.53 1.04 0.00 -1.45 0.00 0.00 42.92 39.82 1s64 s ASP 147 CO 0.48 -1.55 1.87 -0.07 0.13 0.00 0.00 175.17 176.03 1s64 h LEU 148 N 12.98 0.00 -1.02 -1.34 3.38 -1.95 -2.63 115.31 124.74 1s64 h LEU 148 Ca -0.36 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.51 1s64 h LEU 148 Cb 1.18 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.91 1s64 h LEU 148 CO 1.00 0.16 -0.47 -0.61 0.09 0.00 0.00 178.44 178.62 1s64 h GLN 149 N 0.00 0.04 -0.10 1.13 5.75 -2.00 -1.61 115.11 118.32 1s64 h GLN 149 Ca -0.00 -0.02 -0.22 0.00 -0.15 0.00 0.00 58.65 58.26 1s64 h GLN 149 Cb 0.68 0.00 0.01 0.00 1.07 0.00 0.00 27.48 29.23 1s64 h GLN 149 CO 0.02 0.51 -0.80 1.49 -2.65 0.00 0.00 178.83 177.39 1s64 h GLU 150 N 0.03 0.64 0.00 1.69 4.57 -1.87 -2.96 114.58 116.67 1s64 h GLU 150 Ca -0.00 -0.55 -0.06 0.00 -1.18 0.00 0.00 59.36 57.57 1s64 h GLU 150 Cb 0.85 0.12 -0.01 0.00 -0.16 0.00 0.00 28.75 29.55 1s64 h GLU 150 CO 0.06 1.17 -0.29 1.49 -1.18 0.00 0.00 179.01 180.26 1s64 h GLU 151 N 0.42 0.00 -0.60 1.92 4.57 -1.26 -2.07 114.58 117.57 1s64 h GLU 151 Ca -0.06 0.00 -0.08 0.00 -1.18 0.00 0.00 59.36 58.04 1s64 h GLU 151 Cb 1.42 0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 29.99 1s64 h GLU 151 CO 0.15 0.29 0.05 0.52 -1.18 0.00 0.00 179.01 178.85 1s64 h MET 152 N 0.00 0.99 -0.57 1.92 2.86 -1.14 -0.66 114.93 118.33 1s64 h MET 152 Ca -0.00 -0.27 -0.08 0.00 -2.06 0.00 0.00 59.70 57.28 1s64 h MET 152 Cb 0.55 -0.11 -0.02 0.00 0.06 0.00 0.00 31.60 32.07 1s64 h MET 152 CO 0.04 0.94 0.05 -0.91 1.06 0.00 0.00 176.91 178.09 1s64 h ASN 153 N 0.93 0.94 0.68 1.22 2.35 -1.30 -0.57 115.58 119.83 1s64 h ASN 153 Ca 0.18 -0.28 -0.03 0.00 -0.55 0.00 0.00 56.30 55.61 1s64 h ASN 153 Cb 0.46 -0.25 0.00 0.00 0.05 0.00 0.00 38.32 38.58 1s64 h ASN 153 CO 0.02 0.99 -0.37 0.22 -1.65 0.00 0.00 177.43 176.64 1s64 h TYR 154 N 0.86 -0.98 0.00 1.19 3.20 -1.02 -2.43 116.97 117.79 1s64 h TYR 154 Ca 0.17 -0.02 -0.04 0.00 3.14 0.00 0.00 58.73 61.98 1s64 h TYR 154 Cb 0.48 0.34 -0.01 0.00 1.54 0.00 0.00 36.73 39.09 1s64 h TYR 154 CO 0.04 -0.58 -0.19 0.97 -1.64 0.00 0.00 178.16 176.75 1s64 h ILE 155 N -0.98 1.13 -0.67 1.81 6.09 -1.12 -1.80 117.51 121.98 1s64 h ILE 155 Ca -0.09 -0.65 -0.05 0.00 -1.37 0.00 0.00 64.86 62.71 1s64 h ILE 155 Cb 0.77 1.35 -0.03 0.00 0.47 0.00 0.00 36.82 39.38 1s64 h ILE 155 CO 0.11 0.19 0.23 0.40 -3.07 0.00 0.00 178.15 176.01 1s64 h ILE 156 N 0.00 1.24 -0.10 2.19 2.04 -0.84 -1.08 117.51 120.96 1s64 h ILE 156 Ca -0.00 -0.81 -0.14 0.00 1.00 0.00 0.00 64.86 64.91 1s64 h ILE 156 Cb 0.34 0.48 0.01 0.00 -0.74 0.00 0.00 36.82 36.90 1s64 h ILE 156 CO 0.02 0.32 -0.49 0.00 0.00 0.00 0.00 178.15 178.01 1s64 h ALA 157 N 1.27 0.20 -0.40 1.87 0.00 -0.92 -2.98 119.26 118.30 1s64 h ALA 157 Ca 0.22 -0.50 0.04 0.00 0.00 0.00 0.00 54.91 54.67 1s64 h ALA 157 Cb 0.25 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 17.99 1s64 h ALA 157 CO -0.01 0.37 0.16 0.82 0.00 0.00 0.00 179.25 180.59 1s64 h ILE 158 N 0.11 0.92 -0.78 0.00 1.08 -1.16 -2.56 117.51 115.12 1s64 h ILE 158 Ca -0.03 -0.12 -0.03 0.00 -0.39 0.00 0.00 64.86 64.29 1s64 h ILE 158 Cb 1.13 0.55 -0.04 0.00 -3.07 0.00 0.00 36.82 35.39 1s64 h ILE 158 CO 0.10 0.06 0.36 0.40 -0.69 0.00 0.00 178.15 178.38 1s64 h ILE 159 N 0.34 1.25 -0.33 -0.67 2.04 -1.26 -0.81 117.51 118.07 1s64 h ILE 159 Ca 0.18 -0.72 -0.01 0.00 1.00 0.00 0.00 64.86 65.31 1s64 h ILE 159 Cb 0.13 0.26 -0.02 0.00 -0.74 0.00 0.00 36.82 36.46 1s64 h ILE 159 CO -0.16 0.30 0.18 -0.33 0.00 0.00 0.00 178.15 178.14 1s64 h GLU 160 N 1.12 0.45 0.00 2.37 5.08 -1.30 0.11 114.58 122.40 1s64 h GLU 160 Ca 0.27 -0.04 -0.16 0.00 -1.00 0.00 0.00 59.36 58.43 1s64 h GLU 160 Cb 0.14 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.27 1s64 h GLU 160 CO -0.03 0.34 -0.84 0.93 -1.00 0.00 0.00 179.01 178.41 1s64 h GLU 161 N 0.46 0.00 -2.03 2.33 5.08 -1.09 -3.39 114.58 115.94 1s64 h GLU 161 Ca 0.12 0.00 -0.53 0.00 -1.00 0.00 0.00 59.36 57.95 1s64 h GLU 161 Cb 0.02 0.00 -0.40 0.00 0.50 0.00 0.00 28.75 28.88 1s64 h GLU 161 CO -0.02 0.64 -1.09 1.04 -1.00 0.00 0.00 179.01 178.58 1s64 n GLN 162 N -3.22 1.14 0.00 2.33 6.02 -0.37 -4.97 117.38 118.31 1s64 n GLN 162 Ca -0.01 -3.51 0.01 0.00 -0.01 0.00 0.00 57.00 53.48 1s64 n GLN 162 Cb 0.83 -1.59 0.04 0.00 1.02 0.00 0.00 30.24 30.54 1s64 n GLN 162 CO 0.00 0.00 0.00 -0.35 -1.01 0.00 0.00 177.06 175.70 1s64 n PRO 163 N 0.70 0.00 -0.22 -1.09 -0.04 0.30 -2.14 135.00 132.51 1s64 n PRO 163 Ca 0.24 0.47 0.06 0.00 -0.04 0.00 0.00 63.50 64.23 1s64 n PRO 163 Cb 0.58 -1.50 0.18 0.00 -0.04 0.00 0.00 33.50 32.71 1s64 n PRO 163 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 1s64 n LYS 164 N -1.50 2.89 -3.01 0.54 4.76 -1.26 -4.81 118.16 115.77 1s64 n LYS 164 Ca 0.00 -2.17 -0.41 0.00 -2.87 0.00 0.00 58.31 52.87 1s64 n LYS 164 Cb 0.02 -1.35 -0.05 0.00 -1.84 0.00 0.00 35.03 31.81 1s64 n LYS 164 CO 0.00 0.00 0.00 1.21 -1.37 0.00 0.00 177.40 177.24 1s64 s ASN 165 N -1.08 6.77 0.18 4.39 3.84 -0.91 -4.97 114.94 123.16 1s64 s ASN 165 Ca 0.27 0.94 -0.11 0.00 0.21 0.00 0.00 52.86 54.17 1s64 s ASN 165 Cb 0.15 -2.39 0.09 0.00 -0.55 0.00 0.00 41.25 38.55 1s64 s ASN 165 CO 0.16 -0.38 1.75 1.88 -2.79 0.00 0.00 177.10 177.72 1s64 h TYR 166 N 7.57 0.95 -0.88 0.43 0.05 -1.93 -3.16 116.97 120.00 1s64 h TYR 166 Ca -0.28 -0.06 0.03 0.00 0.05 0.00 0.00 58.73 58.46 1s64 h TYR 166 Cb 1.12 -0.29 -0.05 0.00 1.01 0.00 0.00 36.73 38.53 1s64 h TYR 166 CO 0.73 0.74 0.57 1.96 -1.05 0.00 0.00 178.16 181.12 1s64 h GLN 167 N 0.89 1.10 -0.23 4.88 7.50 -1.93 -1.95 115.11 125.36 1s64 h GLN 167 Ca 0.22 -0.07 -0.12 0.00 0.50 0.00 0.00 58.65 59.18 1s64 h GLN 167 Cb 0.18 -0.25 -0.01 0.00 0.05 0.00 0.00 27.48 27.45 1s64 h GLN 167 CO -0.02 0.73 -0.37 -0.39 -1.50 0.00 0.00 178.83 177.28 1s64 h VAL 168 N 1.13 1.29 -0.15 -0.54 -1.51 -1.83 -0.82 116.25 113.83 1s64 h VAL 168 Ca 0.34 -1.51 -0.16 0.00 -1.23 0.00 0.00 66.70 64.15 1s64 h VAL 168 Cb -0.04 1.52 -0.01 0.00 -2.13 0.00 0.00 31.29 30.64 1s64 h VAL 168 CO -0.10 0.47 -0.57 -0.50 -1.23 0.00 0.00 177.57 175.64 1s64 h TRP 169 N 0.44 0.58 -0.45 5.19 4.06 -1.49 -2.14 115.95 122.13 1s64 h TRP 169 Ca 0.04 -0.21 -0.08 0.00 2.06 0.00 0.00 58.89 60.71 1s64 h TRP 169 Cb 0.85 -0.11 -0.02 0.00 -1.00 0.00 0.00 29.16 28.88 1s64 h TRP 169 CO 0.03 0.92 -0.03 1.25 -3.56 0.00 0.00 178.44 177.05 1s64 h HIS 170 N 0.35 0.89 -0.31 0.49 2.76 -1.14 -1.90 115.15 116.28 1s64 h HIS 170 Ca 0.00 -0.16 0.02 0.00 -2.20 0.00 0.00 60.37 58.03 1s64 h HIS 170 Cb 1.10 -0.23 -0.03 0.00 1.55 0.00 0.00 27.41 29.81 1s64 h HIS 170 CO 0.04 0.87 0.16 1.25 -1.30 0.00 0.00 177.93 178.95 1s64 h HIS 171 N 0.66 0.29 -0.79 5.26 6.17 -1.04 -1.29 115.15 124.42 1s64 h HIS 171 Ca 0.12 0.01 -0.02 0.00 0.71 0.00 0.00 60.37 61.20 1s64 h HIS 171 Cb 0.54 -0.09 -0.04 0.00 2.52 0.00 0.00 27.41 30.34 1s64 h HIS 171 CO 0.04 0.16 0.43 -0.09 0.71 0.00 0.00 177.93 179.18 1s64 h ARG 172 N 0.33 1.09 -0.62 5.26 2.43 -1.24 -1.88 114.38 119.76 1s64 h ARG 172 Ca 0.13 -0.12 -0.08 0.00 -0.81 0.00 0.00 59.98 59.10 1s64 h ARG 172 Cb 0.04 -0.22 -0.02 0.00 -0.42 0.00 0.00 29.97 29.35 1s64 h ARG 172 CO -0.09 0.80 0.09 -0.09 -1.51 0.00 0.00 179.97 179.17 1s64 h ARG 173 N 1.10 1.03 -0.66 0.20 2.43 -0.76 -1.06 114.38 116.67 1s64 h ARG 173 Ca 0.28 -0.28 -0.02 0.00 -0.81 0.00 0.00 59.98 59.14 1s64 h ARG 173 Cb 0.03 -0.12 -0.03 0.00 -0.42 0.00 0.00 29.97 29.43 1s64 h ARG 173 CO -0.04 0.97 0.33 0.28 -1.51 0.00 0.00 179.97 180.00 1s64 h VAL 174 N 0.94 1.22 -0.29 0.20 2.07 -0.83 -1.57 116.25 117.99 1s64 h VAL 174 Ca 0.19 -0.59 -0.00 0.00 0.82 0.00 0.00 66.70 67.12 1s64 h VAL 174 Cb 0.45 0.40 -0.01 0.00 -1.52 0.00 0.00 31.29 30.60 1s64 h VAL 174 CO 0.01 0.25 0.18 -0.07 0.02 0.00 0.00 177.57 177.96 1s64 h LEU 175 N 0.90 0.34 -1.39 2.57 3.38 -1.00 -0.39 115.31 119.74 1s64 h LEU 175 Ca 0.23 -0.04 -0.03 0.00 0.09 0.00 0.00 57.88 58.13 1s64 h LEU 175 Cb 0.09 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 40.73 1s64 h LEU 175 CO -0.03 0.28 0.12 0.58 0.09 0.00 0.00 178.44 179.48 1s64 h VAL 176 N 0.38 1.16 -0.29 1.22 2.07 -0.99 -0.39 116.25 119.41 1s64 h VAL 176 Ca 0.10 -0.53 -0.06 0.00 0.82 0.00 0.00 66.70 67.04 1s64 h VAL 176 Cb -0.00 0.75 -0.01 0.00 -1.52 0.00 0.00 31.29 30.51 1s64 h VAL 176 CO -0.02 0.20 -0.04 -0.33 0.02 0.00 0.00 177.57 177.40 1s64 h GLU 177 N 0.53 0.54 -0.23 1.57 5.08 -0.72 0.46 114.58 121.81 1s64 h GLU 177 Ca 0.13 -0.19 0.01 0.00 -1.00 0.00 0.00 59.36 58.30 1s64 h GLU 177 Cb 0.16 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.35 1s64 h GLU 177 CO -0.01 0.71 0.14 -1.49 -1.00 0.00 0.00 179.01 177.37 1s64 h TRP 178 N 0.31 0.27 0.00 4.33 6.55 -0.45 -2.87 115.95 124.09 1s64 h TRP 178 Ca 0.08 0.01 0.00 0.00 0.95 0.00 0.00 58.89 59.93 1s64 h TRP 178 Cb 0.50 -0.09 0.00 0.00 -0.86 0.00 0.00 29.16 28.71 1s64 h TRP 178 CO 0.04 0.16 0.00 -0.07 -1.05 0.00 0.00 178.44 177.53 1s64 h LEU 179 N 0.29 0.00 2.51 -4.49 3.38 -1.05 -3.46 115.31 112.49 1s64 h LEU 179 Ca 0.09 0.00 -0.25 0.00 0.09 0.00 0.00 57.88 57.81 1s64 h LEU 179 Cb -0.02 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.72 1s64 h LEU 179 CO -0.03 0.00 -0.32 0.29 0.09 0.00 0.00 178.44 178.47 1s64 n LYS 180 N -2.69 -2.16 -4.01 1.13 4.76 0.15 -4.92 118.16 110.41 1s64 n LYS 180 Ca 0.04 0.62 -0.31 0.00 -2.87 0.00 0.00 58.31 55.78 1s64 n LYS 180 Cb 0.43 -5.20 -0.15 0.00 -1.84 0.00 0.00 35.03 28.27 1s64 n LYS 180 CO 0.00 0.00 0.00 0.34 -1.37 0.00 0.00 177.40 176.37 1s64 s ASP 181 N -2.03 4.43 0.00 4.39 3.68 -1.22 -4.97 116.67 120.95 1s64 s ASP 181 Ca 0.00 -1.63 0.22 0.00 2.13 0.00 0.00 52.55 53.28 1s64 s ASP 181 Cb 0.00 -1.48 0.43 0.00 -1.45 0.00 0.00 42.92 40.42 1s64 s ASP 181 CO 0.00 -0.27 1.39 -0.81 0.13 0.00 0.00 175.17 175.61 1s64 n PRO 182 N 4.43 2.49 -0.09 4.34 -0.04 -1.26 -4.64 135.00 140.23 1s64 n PRO 182 Ca -0.07 -2.29 0.26 0.00 -0.04 0.00 0.00 63.50 61.35 1s64 n PRO 182 Cb 0.42 -1.50 0.72 0.00 -0.04 0.00 0.00 33.50 33.10 1s64 n PRO 182 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1s64 h SER 183 N 4.29 0.00 0.58 3.54 4.64 -2.01 -2.08 113.55 122.51 1s64 h SER 183 Ca 0.00 0.00 -0.19 0.00 -0.47 0.00 0.00 61.79 61.13 1s64 h SER 183 Cb 0.96 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 63.02 1s64 h SER 183 CO 0.00 0.00 -1.57 0.00 -0.87 0.00 0.00 176.83 174.39 1s64 n GLN 184 N -4.10 0.63 -0.04 4.77 6.02 -1.26 -4.70 117.38 118.69 1s64 n GLN 184 Ca 0.15 0.19 -0.12 0.00 -0.01 0.00 0.00 57.00 57.21 1s64 n GLN 184 Cb 0.86 -1.77 -0.08 0.00 1.02 0.00 0.00 30.24 30.27 1s64 n GLN 184 CO 0.00 0.00 0.00 0.93 -1.01 0.00 0.00 177.06 176.98 1s64 h GLU 185 N 0.00 -0.39 -0.96 -1.09 4.39 -1.70 -2.00 114.58 112.82 1s64 h GLU 185 Ca -0.20 0.03 0.14 0.00 0.34 0.00 0.00 59.36 59.67 1s64 h GLU 185 Cb 1.66 0.09 -0.08 0.00 -0.10 0.00 0.00 28.75 30.32 1s64 h GLU 185 CO 0.05 -0.26 0.61 -0.07 -1.16 0.00 0.00 179.01 178.17 1s64 h LEU 186 N -0.41 0.80 -0.14 1.33 3.38 -1.84 -0.52 115.31 117.91 1s64 h LEU 186 Ca 0.04 0.05 -0.23 0.00 0.09 0.00 0.00 57.88 57.83 1s64 h LEU 186 Cb 0.51 -0.10 0.01 0.00 0.09 0.00 0.00 40.66 41.17 1s64 h LEU 186 CO -0.39 0.39 -0.80 -0.08 0.09 0.00 0.00 178.44 177.65 1s64 h GLU 187 N 0.84 0.79 -0.30 1.13 4.81 -1.84 -1.95 114.58 118.04 1s64 h GLU 187 Ca 0.50 -0.66 -0.01 0.00 -0.13 0.00 0.00 59.36 59.06 1s64 h GLU 187 Cb 0.66 0.14 -0.01 0.00 0.63 0.00 0.00 28.75 30.17 1s64 h GLU 187 CO -0.26 1.26 0.17 0.35 -0.73 0.00 0.00 179.01 179.80 1s64 h PHE 188 N 0.52 0.42 -0.71 0.92 3.57 -0.61 -2.09 116.94 118.96 1s64 h PHE 188 Ca -0.06 -0.01 -0.06 0.00 3.53 0.00 0.00 57.97 61.37 1s64 h PHE 188 Cb 1.43 -0.13 -0.03 0.00 2.79 0.00 0.00 35.95 40.01 1s64 h PHE 188 CO 0.09 0.34 0.21 0.82 -2.23 0.00 0.00 178.31 177.54 1s64 h ILE 189 N 0.37 1.26 -0.21 1.41 2.04 -1.15 -1.97 117.51 119.25 1s64 h ILE 189 Ca 0.11 -0.90 -0.01 0.00 1.00 0.00 0.00 64.86 65.06 1s64 h ILE 189 Cb 0.06 0.48 -0.01 0.00 -0.74 0.00 0.00 36.82 36.61 1s64 h ILE 189 CO -0.02 0.35 0.10 0.00 0.00 0.00 0.00 178.15 178.58 1s64 h ALA 190 N 1.17 1.78 -0.20 1.87 0.00 -1.06 0.19 119.26 123.02 1s64 h ALA 190 Ca 0.23 -0.05 -0.10 0.00 0.00 0.00 0.00 54.91 54.99 1s64 h ALA 190 Cb 0.31 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.01 1s64 h ALA 190 CO -0.01 0.18 -0.26 -0.44 0.00 0.00 0.00 179.25 178.72 1s64 h ASP 191 N 0.29 0.58 -0.38 0.00 3.32 -0.68 -1.92 116.42 117.62 1s64 h ASP 191 Ca 0.07 -0.51 -0.03 0.00 0.02 0.00 0.00 57.03 56.58 1s64 h ASP 191 Cb 0.04 -0.16 -0.02 0.00 0.22 0.00 0.00 39.33 39.41 1s64 h ASP 191 CO -0.01 0.97 0.11 0.40 -1.72 0.00 0.00 179.24 178.98 1s64 h ILE 192 N 0.20 1.22 0.00 0.35 1.08 -0.81 -1.64 117.51 117.91 1s64 h ILE 192 Ca 0.02 -0.74 0.00 0.00 -0.39 0.00 0.00 64.86 63.75 1s64 h ILE 192 Cb 0.83 0.98 0.00 0.00 -3.07 0.00 0.00 36.82 35.56 1s64 h ILE 192 CO 0.06 0.26 0.00 -0.07 -0.69 0.00 0.00 178.15 177.71 1s64 h LEU 193 N 0.47 0.00 -0.05 1.44 3.38 -0.61 -0.60 115.31 119.33 1s64 h LEU 193 Ca 0.12 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 58.01 1s64 h LEU 193 Cb 0.28 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.02 1s64 h LEU 193 CO -0.00 0.00 -0.39 -1.13 0.09 0.00 0.00 178.44 177.01 1s64 h ASN 194 N 0.00 0.00 0.65 -0.43 -0.73 -0.46 -1.84 115.58 112.77 1s64 h ASN 194 Ca 0.00 0.00 0.00 0.00 1.87 0.00 0.00 56.30 58.17 1s64 h ASN 194 Cb 0.16 0.00 0.00 0.00 0.27 0.00 0.00 38.32 38.75 1s64 h ASN 194 CO 0.00 0.39 -1.31 0.00 -0.37 0.00 0.00 177.43 176.14 1s64 n GLN 195 N -3.21 0.59 -3.18 6.67 6.02 -0.29 -4.75 117.38 119.23 1s64 n GLN 195 Ca 0.02 0.01 0.02 0.00 -0.01 0.00 0.00 57.00 57.05 1s64 n GLN 195 Cb 0.68 -1.71 -0.01 0.00 1.02 0.00 0.00 30.24 30.22 1s64 n GLN 195 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 177.06 176.39 1s64 s ASP 196 N -4.98 -1.55 0.00 1.08 -1.08 -0.86 -5.03 116.67 104.25 1s64 s ASP 196 Ca -0.02 -0.43 0.09 0.00 -0.52 0.00 0.00 52.55 51.67 1s64 s ASP 196 Cb 0.11 1.97 0.52 0.00 -1.46 0.00 0.00 42.92 44.06 1s64 s ASP 196 CO 0.83 -0.21 1.02 0.00 0.52 0.00 0.00 175.17 177.33 1s64 n ALA 197 N 4.76 1.78 -0.35 3.66 0.00 -0.70 -2.39 120.51 127.28 1s64 n ALA 197 Ca 0.09 -0.05 0.01 0.00 0.00 0.00 0.00 53.44 53.49 1s64 n ALA 197 Cb 0.56 -1.15 0.02 0.00 0.00 0.00 0.00 19.45 18.88 1s64 n ALA 197 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1s64 n LYS 198 N -1.06 2.22 -1.59 0.00 5.02 -1.26 -4.81 118.16 116.68 1s64 n LYS 198 Ca 0.06 -1.45 -0.44 0.00 -2.02 0.00 0.00 58.31 54.45 1s64 n LYS 198 Cb 0.04 -0.97 -0.04 0.00 -0.02 0.00 0.00 35.03 34.05 1s64 n LYS 198 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 1s64 n ASN 199 N -0.52 3.19 -0.26 4.39 2.85 -1.00 -4.84 115.26 119.06 1s64 n ASN 199 Ca 0.02 0.34 0.01 0.00 -0.11 0.00 0.00 54.58 54.84 1s64 n ASN 199 Cb 0.35 -1.50 0.22 0.00 1.24 0.00 0.00 39.78 40.09 1s64 n ASN 199 CO 0.00 0.00 0.00 0.22 -2.11 0.00 0.00 177.26 175.37 1s64 h TYR 200 N 13.92 1.02 -0.67 1.20 3.20 -1.94 -2.47 116.97 131.23 1s64 h TYR 200 Ca -0.40 0.02 -0.02 0.00 3.14 0.00 0.00 58.73 61.47 1s64 h TYR 200 Cb 1.25 -0.35 -0.03 0.00 1.54 0.00 0.00 36.73 39.15 1s64 h TYR 200 CO 0.94 0.63 0.32 0.45 -1.64 0.00 0.00 178.16 178.87 1s64 h HIS 201 N 1.09 0.97 -0.12 -3.82 3.86 -1.88 -1.47 115.15 113.78 1s64 h HIS 201 Ca 0.31 -0.05 -0.01 0.00 -1.16 0.00 0.00 60.37 59.46 1s64 h HIS 201 Cb -0.08 -0.30 -0.01 0.00 1.06 0.00 0.00 27.41 28.08 1s64 h HIS 201 CO -0.00 0.72 0.04 0.00 0.86 0.00 0.00 177.93 179.55 1s64 h ALA 202 N 1.15 0.16 -0.60 2.45 0.00 -1.77 -1.50 119.26 119.15 1s64 h ALA 202 Ca 0.23 -0.12 -0.03 0.00 0.00 0.00 0.00 54.91 54.99 1s64 h ALA 202 Cb 0.12 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 17.83 1s64 h ALA 202 CO -0.03 -0.23 0.25 -1.49 0.00 0.00 0.00 179.25 177.75 1s64 h TRP 203 N 0.01 0.87 -0.15 0.00 4.06 -1.35 0.43 115.95 119.81 1s64 h TRP 203 Ca 0.04 -0.04 -0.01 0.00 2.06 0.00 0.00 58.89 60.93 1s64 h TRP 203 Cb 0.22 -0.27 -0.01 0.00 -1.00 0.00 0.00 29.16 28.11 1s64 h TRP 203 CO -0.00 0.66 0.04 0.37 -3.56 0.00 0.00 178.44 175.95 1s64 h GLN 204 N 0.85 0.24 -0.82 0.49 4.15 -1.09 -0.86 115.11 118.07 1s64 h GLN 204 Ca 0.20 -0.05 -0.04 0.00 0.77 0.00 0.00 58.65 59.53 1s64 h GLN 204 Cb 0.15 -0.03 -0.04 0.00 0.21 0.00 0.00 27.48 27.78 1s64 h GLN 204 CO -0.02 0.38 0.35 1.25 -1.93 0.00 0.00 178.83 178.86 1s64 h HIS 205 N 0.06 1.22 -0.78 3.99 2.76 -0.99 -1.09 115.15 120.31 1s64 h HIS 205 Ca 0.05 -0.08 -0.04 0.00 -2.20 0.00 0.00 60.37 58.09 1s64 h HIS 205 Cb 0.24 -0.37 -0.03 0.00 1.55 0.00 0.00 27.41 28.80 1s64 h HIS 205 CO 0.00 0.91 0.32 -0.09 -1.30 0.00 0.00 177.93 177.77 1s64 h ARG 206 N 1.18 1.17 -0.29 5.26 2.43 -0.65 -0.99 114.38 122.49 1s64 h ARG 206 Ca 0.28 -0.21 -0.14 0.00 -0.81 0.00 0.00 59.98 59.10 1s64 h ARG 206 Cb 0.18 -0.19 -0.01 0.00 -0.42 0.00 0.00 29.97 29.53 1s64 h ARG 206 CO -0.03 0.94 -0.39 1.96 -1.51 0.00 0.00 179.97 180.94 1s64 h GLN 207 N 1.14 0.68 0.05 0.20 4.20 -0.69 -1.79 115.11 118.90 1s64 h GLN 207 Ca 0.26 -0.35 -0.00 0.00 0.06 0.00 0.00 58.65 58.62 1s64 h GLN 207 Cb 0.21 0.01 0.00 0.00 0.30 0.00 0.00 27.48 27.99 1s64 h GLN 207 CO -0.02 0.95 -0.02 2.35 -0.67 0.00 0.00 178.83 181.42 1s64 h TRP 208 N 0.56 -0.06 -0.04 2.96 7.01 -0.77 -1.58 115.95 124.02 1s64 h TRP 208 Ca 0.05 -0.00 0.01 0.00 2.11 0.00 0.00 58.89 61.06 1s64 h TRP 208 Cb 0.92 0.02 -0.02 0.00 -2.10 0.00 0.00 29.16 27.98 1s64 h TRP 208 CO 0.04 0.08 -0.05 0.28 -2.79 0.00 0.00 178.44 176.01 1s64 h VAL 209 N -0.19 0.86 -0.74 2.65 2.07 -1.16 0.17 116.25 119.91 1s64 h VAL 209 Ca -0.01 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.55 1s64 h VAL 209 Cb 0.17 0.86 -0.05 0.00 -1.52 0.00 0.00 31.29 30.76 1s64 h VAL 209 CO 0.01 0.00 0.46 0.40 0.02 0.00 0.00 177.57 178.46 1s64 h ILE 210 N -0.06 1.07 -0.06 4.57 2.04 -1.27 -1.08 117.51 122.71 1s64 h ILE 210 Ca 0.03 -0.30 -0.03 0.00 1.00 0.00 0.00 64.86 65.57 1s64 h ILE 210 Cb 0.11 0.12 -0.00 0.00 -0.74 0.00 0.00 36.82 36.31 1s64 h ILE 210 CO -0.08 0.16 -0.08 -0.61 0.00 0.00 0.00 178.15 177.54 1s64 h GLN 211 N 0.87 0.15 -0.43 2.37 5.75 -1.05 -0.70 115.11 122.08 1s64 h GLN 211 Ca 0.31 -0.09 -0.04 0.00 -0.15 0.00 0.00 58.65 58.68 1s64 h GLN 211 Cb 0.07 0.01 -0.02 0.00 1.07 0.00 0.00 27.48 28.61 1s64 h GLN 211 CO -0.13 0.63 0.11 1.49 -2.65 0.00 0.00 178.83 178.28 1s64 h GLU 212 N -0.31 0.63 -0.15 1.69 4.57 -0.49 -3.11 114.58 117.40 1s64 h GLU 212 Ca 0.01 -0.11 0.00 0.00 -1.18 0.00 0.00 59.36 58.08 1s64 h GLU 212 Cb 0.62 -0.11 0.00 0.00 -0.16 0.00 0.00 28.75 29.10 1s64 h GLU 212 CO 0.02 0.57 0.00 1.19 -1.18 0.00 0.00 179.01 179.61 1s64 n PHE 213 N -4.32 0.44 -3.88 0.92 3.01 -0.43 -5.01 117.46 108.19 1s64 n PHE 213 Ca 0.03 -0.82 -0.39 0.00 1.01 0.00 0.00 57.45 57.27 1s64 n PHE 213 Cb 0.19 -0.19 0.03 0.00 -0.01 0.00 0.00 39.48 39.51 1s64 n PHE 213 CO 0.00 0.00 0.00 2.89 1.01 0.00 0.00 176.76 180.66 1s64 n ARG 214 N -0.69 -0.72 -2.40 -1.08 0.00 -0.40 -4.90 116.66 106.47 1s64 n ARG 214 Ca 0.16 0.27 -0.35 0.00 -0.00 0.00 0.00 57.85 57.93 1s64 n ARG 214 Cb 0.66 -3.26 0.01 0.00 -0.00 0.00 0.00 32.46 29.88 1s64 n ARG 214 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.63 178.91 1s64 n LEU 215 N -4.58 6.34 0.09 2.89 4.77 -0.43 -4.75 117.00 121.34 1s64 n LEU 215 Ca -0.11 -5.21 -0.03 0.00 -0.03 0.00 0.00 56.01 50.64 1s64 n LEU 215 Cb 0.58 -0.87 -0.06 0.00 -2.33 0.00 0.00 43.42 40.74 1s64 n LEU 215 CO 0.71 2.04 0.25 -0.50 -1.33 0.00 0.00 177.39 178.57 1s64 h TRP 216 N 3.21 0.00 -0.62 -1.77 4.06 -1.91 -3.41 115.95 115.51 1s64 h TRP 216 Ca 0.43 0.00 0.16 0.00 2.06 0.00 0.00 58.89 61.54 1s64 h TRP 216 Cb 0.38 0.00 -0.12 0.00 -1.00 0.00 0.00 29.16 28.43 1s64 h TRP 216 CO 1.08 0.77 -0.02 -0.25 -3.56 0.00 0.00 178.44 176.47 1s64 n ASP 217 N -3.28 -0.10 -0.33 -3.49 8.00 -1.26 -2.11 116.55 113.99 1s64 n ASP 217 Ca 0.00 1.06 0.04 0.00 0.71 0.00 0.00 54.79 56.59 1s64 n ASP 217 Cb 0.85 -0.37 0.05 0.00 -0.02 0.00 0.00 41.12 41.63 1s64 n ASP 217 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 1s64 n ASN 218 N -4.84 1.92 -0.24 -2.24 5.03 -1.26 -4.73 115.26 108.90 1s64 n ASN 218 Ca 0.14 -1.53 -0.08 0.00 0.87 0.00 0.00 54.58 53.98 1s64 n ASN 218 Cb 0.45 -0.05 0.04 0.00 -1.02 0.00 0.00 39.78 39.19 1s64 n ASN 218 CO 0.00 0.00 0.00 -0.08 -1.83 0.00 0.00 177.26 175.35 1s64 h GLU 219 N 1.37 1.11 0.00 3.52 4.57 -1.67 -2.21 114.58 121.27 1s64 h GLU 219 Ca 0.00 -0.30 -0.01 0.00 -1.18 0.00 0.00 59.36 57.87 1s64 h GLU 219 Cb 0.41 -0.13 -0.00 0.00 -0.16 0.00 0.00 28.75 28.87 1s64 h GLU 219 CO 0.00 1.02 -0.04 1.25 -1.18 0.00 0.00 179.01 180.06 1s64 h LEU 220 N 1.03 0.00 -0.01 1.64 5.85 -1.85 0.17 115.31 122.13 1s64 h LEU 220 Ca 0.20 0.00 -0.26 0.00 0.84 0.00 0.00 57.88 58.66 1s64 h LEU 220 Cb 0.46 0.00 0.02 0.00 0.37 0.00 0.00 40.66 41.50 1s64 h LEU 220 CO 0.02 0.04 -1.09 -0.61 -0.34 0.00 0.00 178.44 176.45 1s64 h GLN 221 N 0.00 0.53 -0.67 1.25 4.15 -1.81 -2.07 115.11 116.50 1s64 h GLN 221 Ca -0.00 -0.64 -0.07 0.00 0.77 0.00 0.00 58.65 58.71 1s64 h GLN 221 Cb 0.07 0.20 -0.03 0.00 0.21 0.00 0.00 27.48 27.93 1s64 h GLN 221 CO 0.00 1.25 0.14 -0.92 -1.93 0.00 0.00 178.83 177.38 1s64 h TYR 222 N 0.27 1.15 -0.32 3.99 3.20 -0.55 -1.54 116.97 123.17 1s64 h TYR 222 Ca -0.13 -0.15 -0.01 0.00 3.14 0.00 0.00 58.73 61.58 1s64 h TYR 222 Cb 1.75 -0.32 -0.01 0.00 1.54 0.00 0.00 36.73 39.69 1s64 h TYR 222 CO 0.09 0.95 0.15 0.28 -1.64 0.00 0.00 178.16 177.98 1s64 h VAL 223 N 1.02 1.17 -0.84 1.81 2.07 -0.71 -1.72 116.25 119.04 1s64 h VAL 223 Ca 0.21 -0.49 0.02 0.00 0.82 0.00 0.00 66.70 67.26 1s64 h VAL 223 Cb 0.39 0.90 -0.04 0.00 -1.52 0.00 0.00 31.29 31.02 1s64 h VAL 223 CO 0.01 0.17 0.56 0.44 0.02 0.00 0.00 177.57 178.77 1s64 h ASP 224 N 0.38 0.94 -0.38 0.57 3.32 -1.07 -0.71 116.42 119.47 1s64 h ASP 224 Ca 0.11 -0.02 -0.04 0.00 0.02 0.00 0.00 57.03 57.10 1s64 h ASP 224 Cb 0.14 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 39.45 1s64 h ASP 224 CO -0.01 0.67 0.08 -0.61 -1.72 0.00 0.00 179.24 177.65 1s64 h GLN 225 N 1.10 0.61 0.00 3.56 4.15 -0.94 -2.84 115.11 120.75 1s64 h GLN 225 Ca 0.32 -0.15 -0.12 0.00 0.77 0.00 0.00 58.65 59.47 1s64 h GLN 225 Cb -0.07 -0.08 -0.02 0.00 0.21 0.00 0.00 27.48 27.53 1s64 h GLN 225 CO -0.08 0.65 -0.57 -0.07 -1.93 0.00 0.00 178.83 176.83 1s64 h LEU 226 N 0.46 0.00 -1.15 -2.39 3.38 -0.85 -2.72 115.31 112.05 1s64 h LEU 226 Ca 0.12 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.08 1s64 h LEU 226 Cb 0.32 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.07 1s64 h LEU 226 CO 0.00 0.57 -0.02 -0.07 0.09 0.00 0.00 178.44 179.01 1s64 h LEU 227 N 0.00 0.00 0.08 1.67 3.38 -1.05 -1.77 115.31 117.62 1s64 h LEU 227 Ca -0.01 0.00 -0.27 0.00 0.09 0.00 0.00 57.88 57.69 1s64 h LEU 227 Cb 1.03 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.79 1s64 h LEU 227 CO 0.07 0.02 -1.21 0.11 0.09 0.00 0.00 178.44 177.53 1s64 h LYS 228 N 0.00 0.31 -0.15 1.13 1.57 -1.24 -2.27 116.57 115.92 1s64 h LYS 228 Ca -0.00 -0.49 -0.12 0.00 -1.87 0.00 0.00 60.65 58.17 1s64 h LYS 228 Cb 0.63 0.18 -0.01 0.00 0.08 0.00 0.00 32.23 33.10 1s64 h LYS 228 CO 0.00 1.22 -0.44 0.93 -0.57 0.00 0.00 179.45 180.59 1s64 h GLU 229 N 0.10 0.35 -0.84 3.15 5.08 -1.21 -3.41 114.58 117.79 1s64 h GLU 229 Ca -0.13 -0.18 -0.00 0.00 -1.00 0.00 0.00 59.36 58.05 1s64 h GLU 229 Cb 1.92 0.00 -0.19 0.00 0.50 0.00 0.00 28.75 30.98 1s64 h GLU 229 CO 0.20 0.72 -0.37 0.34 -1.00 0.00 0.00 179.01 178.91 1s64 s ASP 230 N -6.87 -1.32 0.00 1.42 2.15 -0.71 -5.01 116.67 106.33 1s64 s ASP 230 Ca -0.05 -0.48 0.06 0.00 0.43 0.00 0.00 52.55 52.51 1s64 s ASP 230 Cb 0.13 1.71 0.28 0.00 -0.30 0.00 0.00 42.92 44.74 1s64 s ASP 230 CO 0.79 -0.17 1.13 0.55 -0.17 0.00 0.00 175.17 177.31 1s64 n VAL 231 N 4.51 1.29 1.18 1.11 3.14 -0.85 -1.72 118.33 126.99 1s64 n VAL 231 Ca 0.09 0.32 0.12 0.00 -2.96 0.00 0.00 64.34 61.92 1s64 n VAL 231 Cb 0.57 -1.22 0.25 0.00 -1.06 0.00 0.00 33.84 32.38 1s64 n VAL 231 CO 0.00 0.00 0.00 0.54 -6.46 0.00 0.00 176.83 170.91 1s64 n ARG 232 N -1.41 1.34 -2.02 1.45 1.74 -1.26 -4.76 116.66 111.73 1s64 n ARG 232 Ca 0.02 -0.96 -0.40 0.00 -0.77 0.00 0.00 57.85 55.74 1s64 n ARG 232 Cb 0.06 -1.48 -0.03 0.00 -1.02 0.00 0.00 32.46 29.99 1s64 n ARG 232 CO 0.00 0.00 0.00 1.21 -1.52 0.00 0.00 177.63 177.32 1s64 s ASN 233 N -2.32 5.51 0.48 0.55 3.84 -0.70 -4.83 114.94 117.46 1s64 s ASN 233 Ca 0.26 0.74 0.13 0.00 0.21 0.00 0.00 52.86 54.19 1s64 s ASN 233 Cb 0.19 -2.53 1.11 0.00 -0.55 0.00 0.00 41.25 39.47 1s64 s ASN 233 CO 0.47 -2.11 2.11 -1.13 -2.79 0.00 0.00 177.10 173.64 1s64 h ASN 234 N 14.19 0.17 -0.79 -4.21 -1.24 -1.90 -2.33 115.58 119.47 1s64 h ASN 234 Ca -0.29 -0.01 -0.04 0.00 0.71 0.00 0.00 56.30 56.68 1s64 h ASN 234 Cb 1.17 -0.04 -0.04 0.00 0.73 0.00 0.00 38.32 40.14 1s64 h ASN 234 CO 1.14 0.14 0.35 0.28 -1.29 0.00 0.00 177.43 178.04 1s64 h SER 235 N 0.20 1.07 -0.37 1.15 0.02 -1.89 -2.10 113.55 111.64 1s64 h SER 235 Ca 0.05 -0.15 -0.16 0.00 -0.84 0.00 0.00 61.79 60.69 1s64 h SER 235 Cb -0.01 -0.27 -0.00 0.00 0.14 0.00 0.00 62.40 62.25 1s64 h SER 235 CO -0.01 0.92 -0.41 0.58 -1.14 0.00 0.00 176.83 176.77 1s64 h VAL 236 N 1.14 1.27 -0.37 2.27 2.07 -1.74 -1.58 116.25 119.32 1s64 h VAL 236 Ca 0.27 -1.59 -0.04 0.00 0.82 0.00 0.00 66.70 66.16 1s64 h VAL 236 Cb 0.17 1.43 -0.02 0.00 -1.52 0.00 0.00 31.29 31.35 1s64 h VAL 236 CO -0.03 0.53 0.06 -0.50 0.02 0.00 0.00 177.57 177.66 1s64 h TRP 237 N 0.75 0.57 -0.52 1.57 4.06 -1.39 -0.31 115.95 120.67 1s64 h TRP 237 Ca 0.05 -0.04 -0.10 0.00 2.06 0.00 0.00 58.89 60.86 1s64 h TRP 237 Cb 1.01 -0.17 -0.02 0.00 -1.00 0.00 0.00 29.16 28.99 1s64 h TRP 237 CO 0.07 0.51 -0.07 -0.97 -3.56 0.00 0.00 178.44 174.42 1s64 h ASN 238 N 0.54 0.97 -0.65 -3.49 -1.24 -1.10 -2.64 115.58 107.97 1s64 h ASN 238 Ca 0.12 -0.34 -0.04 0.00 0.71 0.00 0.00 56.30 56.75 1s64 h ASN 238 Cb 0.25 -0.26 -0.03 0.00 0.73 0.00 0.00 38.32 39.01 1s64 h ASN 238 CO 0.00 1.08 0.25 -0.61 -1.29 0.00 0.00 177.43 176.85 1s64 h GLN 239 N 0.84 1.01 -0.31 6.67 5.75 -0.43 -1.20 115.11 127.44 1s64 h GLN 239 Ca 0.14 -0.18 0.02 0.00 -0.15 0.00 0.00 58.65 58.48 1s64 h GLN 239 Cb 0.62 -0.16 -0.03 0.00 1.07 0.00 0.00 27.48 28.98 1s64 h GLN 239 CO 0.04 0.84 0.14 -0.09 -2.65 0.00 0.00 178.83 177.11 1s64 h ARG 240 N 0.98 0.29 -0.24 1.69 2.43 -0.80 0.26 114.38 119.00 1s64 h ARG 240 Ca 0.23 -0.02 -0.07 0.00 -0.81 0.00 0.00 59.98 59.30 1s64 h ARG 240 Cb 0.23 -0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 29.70 1s64 h ARG 240 CO -0.02 0.19 -0.17 1.25 -1.51 0.00 0.00 179.97 179.72 1s64 h HIS 241 N 0.30 0.45 -0.14 2.20 2.76 -1.14 -1.86 115.15 117.73 1s64 h HIS 241 Ca 0.13 -0.07 -0.00 0.00 -2.20 0.00 0.00 60.37 58.22 1s64 h HIS 241 Cb 0.06 -0.12 -0.01 0.00 1.55 0.00 0.00 27.41 28.89 1s64 h HIS 241 CO -0.10 0.57 0.07 0.35 -1.30 0.00 0.00 177.93 177.52 1s64 h PHE 242 N 0.38 0.20 0.45 5.26 3.57 -0.32 -0.97 116.94 125.52 1s64 h PHE 242 Ca 0.07 -0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.54 1s64 h PHE 242 Cb 0.52 -0.06 0.00 0.00 2.79 0.00 0.00 35.95 39.20 1s64 h PHE 242 CO 0.01 0.23 -0.22 0.28 -2.23 0.00 0.00 178.31 176.39 1s64 h VAL 243 N 0.11 0.53 -0.01 1.41 2.07 -0.77 -2.87 116.25 116.72 1s64 h VAL 243 Ca 0.05 -0.28 0.00 0.00 0.82 0.00 0.00 66.70 67.29 1s64 h VAL 243 Cb 0.10 0.65 -0.00 0.00 -1.52 0.00 0.00 31.29 30.53 1s64 h VAL 243 CO -0.01 0.05 0.00 0.40 0.02 0.00 0.00 177.57 178.04 1s64 h ILE 244 N -0.78 1.00 0.00 4.57 2.04 -1.36 -2.08 117.51 120.89 1s64 h ILE 244 Ca -0.06 -0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.79 1s64 h ILE 244 Cb 0.55 0.98 0.00 0.00 -0.74 0.00 0.00 36.82 37.61 1s64 h ILE 244 CO 0.10 0.00 0.00 0.77 0.00 0.00 0.00 178.15 179.02 1s64 h SER 245 N 0.01 0.00 -0.03 1.72 4.64 -1.26 0.15 113.55 118.79 1s64 h SER 245 Ca 0.01 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.33 1s64 h SER 245 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 1s64 h SER 245 CO -0.01 0.00 -0.10 0.59 -0.87 0.00 0.00 176.83 176.44 1s64 n ASN 246 N -2.36 2.71 0.00 4.97 3.02 -0.96 -4.40 115.26 118.25 1s64 n ASN 246 Ca 0.01 -1.85 0.00 0.00 -0.03 0.00 0.00 54.58 52.71 1s64 n ASN 246 Cb 0.18 0.11 0.00 0.00 -0.61 0.00 0.00 39.78 39.45 1s64 n ASN 246 CO 0.00 0.00 0.00 0.35 -2.62 0.00 0.00 177.26 174.99 1s64 n THR 247 N 1.00 0.00 0.06 3.41 -2.24 -0.79 -4.94 114.28 110.79 1s64 n THR 247 Ca 0.12 0.00 -0.08 0.00 -2.27 0.00 0.00 64.05 61.82 1s64 n THR 247 Cb 0.55 -0.02 0.06 0.00 -2.10 0.00 0.00 70.33 68.82 1s64 n THR 247 CO 0.00 0.00 0.00 0.71 -0.57 0.00 0.00 175.07 175.21 1s64 h THR 248 N 0.00 1.39 0.00 4.28 1.35 -1.77 -3.50 112.91 114.66 1s64 h THR 248 Ca 0.00 -2.13 0.00 0.00 -0.55 0.00 0.00 66.41 63.73 1s64 h THR 248 Cb 0.00 2.10 0.00 0.00 -1.73 0.00 0.00 68.15 68.52 1s64 h THR 248 CO 0.00 0.63 0.00 0.61 -0.25 0.00 0.00 175.52 176.51 1s64 n GLY 249 N 0.48 -2.98 0.44 5.82 0.00 0.45 -4.69 105.19 104.72 1s64 n GLY 249 Ca -0.03 -1.73 0.05 0.00 0.00 0.00 0.00 46.02 44.30 1s64 n GLY 249 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1s64 n TYR 250 N -0.66 0.09 0.32 1.61 4.02 -1.26 -4.54 117.16 116.75 1s64 n TYR 250 Ca 0.00 -0.11 0.15 0.00 -0.01 0.00 0.00 57.90 57.94 1s64 n TYR 250 Cb 0.00 -0.01 0.61 0.00 -0.02 0.00 0.00 39.34 39.92 1s64 n TYR 250 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 176.86 176.51 1s64 h SER 251 N 1.96 0.00 -3.26 7.72 4.64 -2.00 -3.39 113.55 119.22 1s64 h SER 251 Ca 0.00 0.00 -0.55 0.00 -0.47 0.00 0.00 61.79 60.77 1s64 h SER 251 Cb 0.49 0.00 -0.07 0.00 -0.31 0.00 0.00 62.40 62.50 1s64 h SER 251 CO 0.00 0.00 0.98 -0.62 -0.87 0.00 0.00 176.83 176.32 1s64 s ASP 252 N -5.22 6.46 0.57 4.97 3.68 -1.26 -4.89 116.67 120.98 1s64 s ASP 252 Ca 0.02 0.17 0.33 0.00 2.13 0.00 0.00 52.55 55.21 1s64 s ASP 252 Cb 0.09 -2.55 1.45 0.00 -1.45 0.00 0.00 42.92 40.46 1s64 s ASP 252 CO 0.50 -1.46 1.77 0.03 0.13 0.00 0.00 175.17 176.14 1s64 h ARG 253 N 9.57 0.00 -0.14 4.34 3.08 -1.98 0.46 114.38 129.71 1s64 h ARG 253 Ca -0.25 0.00 -0.17 0.00 0.07 0.00 0.00 59.98 59.63 1s64 h ARG 253 Cb 1.06 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 31.10 1s64 h ARG 253 CO 1.18 0.00 -0.63 0.00 -1.07 0.00 0.00 179.97 179.45 1s64 h ALA 254 N 1.32 0.64 -0.03 0.04 0.00 -1.93 -1.67 119.26 117.62 1s64 h ALA 254 Ca 0.44 -0.55 -0.02 0.00 0.00 0.00 0.00 54.91 54.78 1s64 h ALA 254 Cb 2.00 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.72 1s64 h ALA 254 CO -0.00 0.72 -0.06 0.28 0.00 0.00 0.00 179.25 180.18 1s64 h VAL 255 N 0.37 1.45 -0.47 0.00 2.07 -0.48 -2.01 116.25 117.18 1s64 h VAL 255 Ca -0.01 -1.43 0.08 0.00 0.82 0.00 0.00 66.70 66.16 1s64 h VAL 255 Cb 1.19 2.34 -0.07 0.00 -1.52 0.00 0.00 31.29 33.23 1s64 h VAL 255 CO 0.12 0.38 0.07 0.25 0.02 0.00 0.00 177.57 178.41 1s64 h LEU 256 N -0.46 -0.05 -0.45 2.57 5.85 -1.26 0.17 115.31 121.69 1s64 h LEU 256 Ca -0.00 0.09 -0.01 0.00 0.84 0.00 0.00 57.88 58.80 1s64 h LEU 256 Cb 0.66 0.14 -0.02 0.00 0.37 0.00 0.00 40.66 41.80 1s64 h LEU 256 CO 0.01 0.00 0.25 -0.08 -0.34 0.00 0.00 178.44 178.29 1s64 h GLU 257 N 0.19 0.62 -0.71 1.25 4.81 -1.33 0.45 114.58 119.86 1s64 h GLU 257 Ca 0.23 -0.07 0.03 0.00 -0.13 0.00 0.00 59.36 59.43 1s64 h GLU 257 Cb 0.32 -0.12 -0.05 0.00 0.63 0.00 0.00 28.75 29.53 1s64 h GLU 257 CO -0.33 0.49 0.44 -0.09 -0.73 0.00 0.00 179.01 178.79 1s64 h ARG 258 N 0.58 0.83 -0.17 1.92 2.43 -0.56 -0.57 114.38 118.85 1s64 h ARG 258 Ca 0.16 -0.05 -0.06 0.00 -0.81 0.00 0.00 59.98 59.22 1s64 h ARG 258 Cb 0.04 -0.19 -0.00 0.00 -0.42 0.00 0.00 29.97 29.40 1s64 h ARG 258 CO -0.03 0.55 -0.12 0.93 -1.51 0.00 0.00 179.97 179.79 1s64 h GLU 259 N 0.85 0.37 -0.91 0.20 4.39 -0.58 -0.33 114.58 118.58 1s64 h GLU 259 Ca 0.29 -0.18 -0.01 0.00 0.34 0.00 0.00 59.36 59.80 1s64 h GLU 259 Cb 0.04 -0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 28.65 1s64 h GLU 259 CO -0.12 0.72 0.54 0.28 -1.16 0.00 0.00 179.01 179.27 1s64 h VAL 260 N 0.03 1.25 -0.23 3.13 2.07 -0.77 -0.65 116.25 121.09 1s64 h VAL 260 Ca 0.03 -0.56 -0.04 0.00 0.82 0.00 0.00 66.70 66.96 1s64 h VAL 260 Cb 0.63 -0.03 -0.01 0.00 -1.52 0.00 0.00 31.29 30.36 1s64 h VAL 260 CO 0.03 0.27 0.00 -0.61 0.02 0.00 0.00 177.57 177.28 1s64 h GLN 261 N 1.26 0.41 -0.62 1.57 5.75 -1.03 -1.88 115.11 120.57 1s64 h GLN 261 Ca 0.33 -0.13 0.04 0.00 -0.15 0.00 0.00 58.65 58.74 1s64 h GLN 261 Cb -0.05 -0.04 -0.05 0.00 1.07 0.00 0.00 27.48 28.42 1s64 h GLN 261 CO -0.06 0.59 0.36 -0.92 -2.65 0.00 0.00 178.83 176.15 1s64 h TYR 262 N 0.18 0.66 -0.22 3.99 3.20 -0.63 -1.82 116.97 122.35 1s64 h TYR 262 Ca 0.07 0.02 -0.03 0.00 3.14 0.00 0.00 58.73 61.93 1s64 h TYR 262 Cb 0.40 -0.21 -0.01 0.00 1.54 0.00 0.00 36.73 38.46 1s64 h TYR 262 CO 0.03 0.35 0.01 1.15 -1.64 0.00 0.00 178.16 178.06 1s64 h THR 263 N 0.68 1.25 -0.67 1.81 2.02 -1.05 -2.05 112.91 114.91 1s64 h THR 263 Ca 0.26 -0.84 0.07 0.00 0.77 0.00 0.00 66.41 66.67 1s64 h THR 263 Cb 0.10 1.38 -0.04 0.00 -1.74 0.00 0.00 68.15 67.84 1s64 h THR 263 CO -0.14 0.26 0.44 -0.07 0.37 0.00 0.00 175.52 176.38 1s64 h LEU 264 N 0.15 0.56 -0.46 2.58 3.38 -1.10 0.28 115.31 120.70 1s64 h LEU 264 Ca 0.06 0.01 -0.06 0.00 0.09 0.00 0.00 57.88 57.98 1s64 h LEU 264 Cb 0.38 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 40.99 1s64 h LEU 264 CO 0.01 0.36 0.05 -0.33 0.09 0.00 0.00 178.44 178.62 1s64 h GLU 265 N 0.64 0.78 -0.52 1.13 4.39 -1.01 -0.64 114.58 119.35 1s64 h GLU 265 Ca 0.29 -0.22 -0.10 0.00 0.34 0.00 0.00 59.36 59.67 1s64 h GLU 265 Cb 0.33 -0.08 -0.02 0.00 -0.10 0.00 0.00 28.75 28.88 1s64 h GLU 265 CO -0.09 0.81 -0.08 0.52 -1.16 0.00 0.00 179.01 179.01 1s64 h MET 266 N 0.64 0.95 -0.69 2.33 2.86 -0.39 -2.52 114.93 118.11 1s64 h MET 266 Ca 0.14 -0.32 -0.05 0.00 -2.06 0.00 0.00 59.70 57.40 1s64 h MET 266 Cb 0.42 -0.08 -0.03 0.00 0.06 0.00 0.00 31.60 31.98 1s64 h MET 266 CO 0.01 0.99 0.24 0.82 1.06 0.00 0.00 176.91 180.03 1s64 h ILE 267 N 0.86 1.25 -0.40 -1.22 2.04 -0.32 -1.86 117.51 117.86 1s64 h ILE 267 Ca 0.14 -0.83 -0.01 0.00 1.00 0.00 0.00 64.86 65.16 1s64 h ILE 267 Cb 0.61 0.49 -0.02 0.00 -0.74 0.00 0.00 36.82 37.16 1s64 h ILE 267 CO 0.04 0.33 0.19 0.50 0.00 0.00 0.00 178.15 179.21 1s64 h LYS 268 N 1.00 0.56 -0.20 2.37 1.63 -0.87 0.21 116.57 121.27 1s64 h LYS 268 Ca 0.23 -0.06 -0.19 0.00 -0.85 0.00 0.00 60.65 59.77 1s64 h LYS 268 Cb 0.26 -0.11 0.00 0.00 -0.60 0.00 0.00 32.23 31.78 1s64 h LYS 268 CO -0.01 0.44 -0.65 -0.07 -3.45 0.00 0.00 179.45 175.71 1s64 h LEU 269 N 0.56 0.83 -6.22 5.20 4.07 -1.00 -3.39 115.31 115.36 1s64 h LEU 269 Ca 0.14 -0.49 -0.49 0.00 0.08 0.00 0.00 57.88 57.13 1s64 h LEU 269 Cb 0.07 -0.24 -0.34 0.00 1.08 0.00 0.00 40.66 41.23 1s64 h LEU 269 CO -0.02 1.26 -0.83 -0.69 -1.08 0.00 0.00 178.44 177.08 1s64 s VAL 270 N -3.91 -0.01 0.52 1.22 1.01 -0.75 -5.02 120.40 113.46 1s64 s VAL 270 Ca -0.09 -1.93 0.22 0.00 0.00 0.00 0.00 61.98 60.18 1s64 s VAL 270 Cb 0.10 -0.94 0.36 0.00 0.00 0.00 0.00 36.38 35.90 1s64 s VAL 270 CO 0.88 -0.90 2.03 1.55 0.00 0.00 0.00 175.10 178.66 1s64 h PRO 271 N 6.08 0.02 -3.81 2.72 0.13 -0.80 -3.30 132.00 133.04 1s64 h PRO 271 Ca 0.16 -0.00 -0.78 0.00 -0.87 0.00 0.00 66.00 64.51 1s64 h PRO 271 Cb 0.98 -0.00 -0.23 0.00 0.13 0.00 0.00 31.00 31.87 1s64 h PRO 271 CO 0.27 0.01 0.96 1.58 -0.23 0.00 0.00 178.00 180.59 1s64 n HIS 272 N -4.42 4.44 -3.43 1.56 -0.00 -1.26 -4.86 115.22 107.25 1s64 n HIS 272 Ca 0.07 -3.40 -0.20 0.00 0.46 0.00 0.00 57.72 54.64 1s64 n HIS 272 Cb 0.47 -1.81 -0.11 0.00 -0.12 0.00 0.00 29.99 28.43 1s64 n HIS 272 CO 0.00 0.00 0.00 1.21 0.46 0.00 0.00 176.34 178.01 1s64 s ASN 273 N 1.20 2.06 0.27 0.26 2.47 -1.24 -5.03 114.94 114.93 1s64 s ASN 273 Ca 0.36 -0.93 -0.01 0.00 0.42 0.00 0.00 52.86 52.70 1s64 s ASN 273 Cb -0.03 0.32 0.49 0.00 -1.45 0.00 0.00 41.25 40.57 1s64 s ASN 273 CO -0.01 -0.39 1.83 -0.08 -3.72 0.00 0.00 177.10 174.72 1s64 h GLU 274 N 8.22 0.92 -0.46 0.43 4.81 -1.94 -2.64 114.58 123.93 1s64 h GLU 274 Ca -0.13 -0.06 0.06 0.00 -0.13 0.00 0.00 59.36 59.10 1s64 h GLU 274 Cb 1.06 -0.21 -0.05 0.00 0.63 0.00 0.00 28.75 30.18 1s64 h GLU 274 CO 0.35 0.61 0.17 0.77 -0.73 0.00 0.00 179.01 180.18 1s64 h SER 275 N 0.95 0.19 -0.26 1.04 0.02 -1.92 0.24 113.55 113.81 1s64 h SER 275 Ca 0.46 0.05 -0.02 0.00 -0.84 0.00 0.00 61.79 61.44 1s64 h SER 275 Cb 0.41 0.03 -0.01 0.00 0.14 0.00 0.00 62.40 62.97 1s64 h SER 275 CO -0.25 0.14 0.10 0.00 -1.14 0.00 0.00 176.83 175.68 1s64 h ALA 276 N 1.29 0.34 -0.55 3.77 0.00 -1.77 -1.78 119.26 120.55 1s64 h ALA 276 Ca 0.21 -0.12 -0.06 0.00 0.00 0.00 0.00 54.91 54.95 1s64 h ALA 276 Cb 0.20 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 1s64 h ALA 276 CO -0.21 -0.06 0.11 -1.49 0.00 0.00 0.00 179.25 177.60 1s64 h TRP 277 N 0.27 0.90 -0.39 0.00 4.06 -1.24 -1.77 115.95 117.78 1s64 h TRP 277 Ca 0.09 -0.09 -0.07 0.00 2.06 0.00 0.00 58.89 60.87 1s64 h TRP 277 Cb 0.18 -0.26 -0.02 0.00 -1.00 0.00 0.00 29.16 28.07 1s64 h TRP 277 CO -0.01 0.76 -0.04 -0.91 -3.56 0.00 0.00 178.44 174.68 1s64 h ASN 278 N 0.83 0.62 0.07 -3.49 2.35 -0.28 -1.24 115.58 114.45 1s64 h ASN 278 Ca 0.18 -0.15 -0.00 0.00 -0.55 0.00 0.00 56.30 55.77 1s64 h ASN 278 Cb 0.34 -0.17 0.00 0.00 0.05 0.00 0.00 38.32 38.54 1s64 h ASN 278 CO 0.00 0.72 -0.03 0.22 -1.65 0.00 0.00 177.43 176.69 1s64 h TYR 279 N 0.61 -0.09 -0.26 1.19 3.20 -0.96 0.29 116.97 120.95 1s64 h TYR 279 Ca 0.12 -0.00 0.06 0.00 3.14 0.00 0.00 58.73 62.04 1s64 h TYR 279 Cb 0.45 0.03 -0.06 0.00 1.54 0.00 0.00 36.73 38.69 1s64 h TYR 279 CO 0.02 0.22 -0.12 1.25 -1.64 0.00 0.00 178.16 177.90 1s64 h LEU 280 N -0.41 -0.39 -0.81 2.82 5.85 -1.13 -0.82 115.31 120.42 1s64 h LEU 280 Ca -0.01 0.10 -0.10 0.00 0.84 0.00 0.00 57.88 58.70 1s64 h LEU 280 Cb 0.35 0.22 -0.01 0.00 0.37 0.00 0.00 40.66 41.59 1s64 h LEU 280 CO 0.02 -0.15 -0.23 0.50 -0.34 0.00 0.00 178.44 178.24 1s64 h LYS 281 N -0.08 0.64 -0.58 1.25 3.64 -1.20 -3.13 116.57 117.11 1s64 h LYS 281 Ca 0.14 -0.25 0.01 0.00 -1.27 0.00 0.00 60.65 59.28 1s64 h LYS 281 Cb 0.28 -0.04 -0.03 0.00 -0.41 0.00 0.00 32.23 32.04 1s64 h LYS 281 CO -0.31 0.81 0.38 0.78 -2.27 0.00 0.00 179.45 178.84 1s64 h GLY 282 N 0.99 0.82 1.52 5.01 0.00 0.71 0.17 103.07 112.29 1s64 h GLY 282 Ca 0.08 -0.29 0.00 0.00 0.00 0.00 0.00 47.33 47.12 1s64 h GLY 282 CO 0.05 0.27 -0.01 0.29 0.00 0.00 0.00 176.54 177.14 1s64 n ILE 283 N -4.70 0.00 -0.01 2.60 -5.35 -0.42 -3.97 119.36 107.50 1s64 n ILE 283 Ca 0.04 -0.00 -0.00 0.00 -0.27 0.00 0.00 62.75 62.52 1s64 n ILE 283 Cb 0.04 -0.46 -0.02 0.00 -1.74 0.00 0.00 39.64 37.45 1s64 n ILE 283 CO 0.00 0.00 0.00 0.18 -1.76 0.00 0.00 176.55 174.97 1s64 n LEU 284 N -1.26 0.00 -0.26 7.28 4.77 -0.97 -4.77 117.00 121.79 1s64 n LEU 284 Ca 0.14 0.00 0.14 0.00 -0.03 0.00 0.00 56.01 56.26 1s64 n LEU 284 Cb 0.25 0.04 0.41 0.00 -2.33 0.00 0.00 43.42 41.78 1s64 n LEU 284 CO 0.23 0.04 1.22 0.06 -1.33 0.00 0.00 177.39 177.61 1s64 h GLN 285 N 0.00 0.60 0.00 3.23 3.07 -0.81 -1.29 115.11 119.92 1s64 h GLN 285 Ca -0.04 -0.04 -0.02 0.00 0.09 0.00 0.00 58.65 58.64 1s64 h GLN 285 Cb 0.71 -0.14 -0.00 0.00 0.08 0.00 0.00 27.48 28.13 1s64 h GLN 285 CO 0.00 0.40 -0.24 -0.44 0.09 0.00 0.00 178.83 178.64 1s64 h ASP 286 N 0.62 0.00 1.37 0.06 3.45 -1.84 -3.09 116.42 116.99 1s64 h ASP 286 Ca 0.45 0.00 -0.13 0.00 0.43 0.00 0.00 57.03 57.78 1s64 h ASP 286 Cb 0.83 0.00 -0.02 0.00 -0.56 0.00 0.00 39.33 39.58 1s64 h ASP 286 CO -0.20 0.09 -0.63 0.03 -1.57 0.00 0.00 179.24 176.95 1s64 h ARG 287 N 0.00 0.00 0.00 3.56 2.47 -1.58 -3.49 114.38 115.35 1s64 h ARG 287 Ca -0.00 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.72 1s64 h ARG 287 Cb 1.07 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.39 1s64 h ARG 287 CO 0.01 0.62 0.00 0.41 0.56 0.00 0.00 179.97 181.57 1s64 n GLY 288 N 1.26 1.53 0.37 0.04 0.00 -0.64 -4.86 105.19 102.89 1s64 n GLY 288 Ca 0.01 -0.81 0.16 0.00 0.00 0.00 0.00 46.02 45.38 1s64 n GLY 288 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1s64 h LEU 289 N 0.00 0.22 0.00 0.99 3.38 -1.76 -1.36 115.31 116.78 1s64 h LEU 289 Ca 0.00 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.98 1s64 h LEU 289 Cb 0.00 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 40.71 1s64 h LEU 289 CO 0.00 0.12 0.00 -1.54 0.09 0.00 0.00 178.44 177.11 1s64 n SER 290 N -4.44 0.00 -0.31 -0.43 3.41 -1.26 -3.11 113.62 107.48 1s64 n SER 290 Ca 0.11 0.39 0.08 0.00 -0.26 0.00 0.00 58.87 59.19 1s64 n SER 290 Cb 0.50 -0.45 0.36 0.00 -0.26 0.00 0.00 64.21 64.36 1s64 n SER 290 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1s64 n ARG 291 N -1.45 1.41 -3.62 4.33 1.74 -0.51 -4.45 116.66 114.09 1s64 n ARG 291 Ca 0.06 -0.62 -0.27 0.00 -0.77 0.00 0.00 57.85 56.25 1s64 n ARG 291 Cb 0.21 -1.29 -0.10 0.00 -1.02 0.00 0.00 32.46 30.26 1s64 n ARG 291 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77 1s64 n TYR 292 N -0.13 3.24 -0.33 -1.55 4.01 -1.18 -4.97 117.16 116.26 1s64 n TYR 292 Ca 0.13 -4.19 0.18 0.00 -0.16 0.00 0.00 57.90 53.86 1s64 n TYR 292 Cb 0.19 -0.56 0.42 0.00 -0.31 0.00 0.00 39.34 39.08 1s64 n TYR 292 CO 0.00 0.00 0.00 -1.00 -0.46 0.00 0.00 176.86 175.40 1s64 h PRO 293 N 4.74 0.54 0.00 -0.72 0.13 -1.87 -1.17 132.00 133.64 1s64 h PRO 293 Ca 0.18 -0.03 -0.12 0.00 -0.87 0.00 0.00 66.00 65.16 1s64 h PRO 293 Cb 0.71 -0.12 -0.02 0.00 0.13 0.00 0.00 31.00 31.70 1s64 h PRO 293 CO 0.76 0.36 -0.56 -0.91 -0.23 0.00 0.00 178.00 177.42 1s64 h ASN 294 N 0.56 0.00 -0.38 1.44 2.35 -1.98 -2.95 115.58 114.62 1s64 h ASN 294 Ca 0.59 0.00 -0.05 0.00 -0.55 0.00 0.00 56.30 56.29 1s64 h ASN 294 Cb 1.21 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 39.57 1s64 h ASN 294 CO -0.36 0.56 0.03 0.25 -1.65 0.00 0.00 177.43 176.26 1s64 h LEU 295 N 0.00 0.64 -0.06 1.61 5.85 -1.62 -0.10 115.31 121.62 1s64 h LEU 295 Ca -0.01 -0.29 0.03 0.00 0.84 0.00 0.00 57.88 58.45 1s64 h LEU 295 Cb 1.00 -0.17 -0.03 0.00 0.37 0.00 0.00 40.66 41.83 1s64 h LEU 295 CO 0.07 0.77 -0.11 0.25 -0.34 0.00 0.00 178.44 179.08 1s64 h LEU 296 N 0.48 -0.33 -0.48 2.25 5.85 -1.41 -0.87 115.31 120.80 1s64 h LEU 296 Ca 0.11 0.06 0.00 0.00 0.84 0.00 0.00 57.88 58.89 1s64 h LEU 296 Cb 0.43 0.15 -0.02 0.00 0.37 0.00 0.00 40.66 41.59 1s64 h LEU 296 CO 0.01 -0.15 0.31 0.78 -0.34 0.00 0.00 178.44 179.05 1s64 h ASN 297 N -0.16 0.56 -0.07 1.25 2.35 -1.38 -1.08 115.58 117.05 1s64 h ASN 297 Ca 0.06 -0.03 -0.04 0.00 -0.55 0.00 0.00 56.30 55.75 1s64 h ASN 297 Cb 0.25 -0.14 -0.01 0.00 0.05 0.00 0.00 38.32 38.46 1s64 h ASN 297 CO -0.15 0.42 -0.04 -0.61 -1.65 0.00 0.00 177.43 175.40 1s64 h GLN 298 N 0.65 0.28 0.04 0.81 4.15 -0.67 -1.65 115.11 118.72 1s64 h GLN 298 Ca 0.18 -0.05 -0.21 0.00 0.77 0.00 0.00 58.65 59.33 1s64 h GLN 298 Cb -0.06 -0.05 0.02 0.00 0.21 0.00 0.00 27.48 27.61 1s64 h GLN 298 CO -0.04 0.34 -0.86 -0.07 -1.93 0.00 0.00 178.83 176.28 1s64 h LEU 299 N 0.27 0.69 -2.31 -2.39 3.38 -0.81 -3.04 115.31 111.10 1s64 h LEU 299 Ca 0.06 -0.79 0.01 0.00 0.09 0.00 0.00 57.88 57.26 1s64 h LEU 299 Cb 0.26 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 40.79 1s64 h LEU 299 CO 0.01 1.39 0.04 -0.07 0.09 0.00 0.00 178.44 179.91 1s64 h LEU 300 N 0.07 0.00 0.00 1.67 3.38 -0.91 0.64 115.31 120.16 1s64 h LEU 300 Ca -0.12 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.85 1s64 h LEU 300 Cb 1.56 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.31 1s64 h LEU 300 CO 0.17 0.00 -0.16 0.47 0.09 0.00 0.00 178.44 179.01 1s64 n ASP 301 N -4.01 0.31 0.02 -0.43 9.92 -0.65 -3.28 116.55 118.43 1s64 n ASP 301 Ca -0.02 0.33 0.02 0.00 -0.53 0.00 0.00 54.79 54.59 1s64 n ASP 301 Cb 0.14 -0.34 -0.09 0.00 -0.64 0.00 0.00 41.12 40.18 1s64 n ASP 301 CO 0.00 0.00 0.00 0.18 0.13 0.00 0.00 177.20 177.51 1s64 n LEU 302 N -1.69 0.64 -0.30 0.64 4.77 0.17 -4.36 117.00 116.87 1s64 n LEU 302 Ca 0.06 0.27 0.14 0.00 -0.03 0.00 0.00 56.01 56.45 1s64 n LEU 302 Cb 0.36 0.09 0.30 0.00 -2.33 0.00 0.00 43.42 41.85 1s64 n LEU 302 CO 0.30 0.11 0.96 -0.61 -1.33 0.00 0.00 177.39 176.82 1s64 h GLN 303 N 0.00 0.22 -0.01 3.23 4.15 -1.43 -0.85 115.11 120.43 1s64 h GLN 303 Ca -0.16 -0.01 0.03 0.00 0.77 0.00 0.00 58.65 59.28 1s64 h GLN 303 Cb 1.49 -0.05 -0.06 0.00 0.21 0.00 0.00 27.48 29.07 1s64 h GLN 303 CO 0.03 0.15 -0.42 -1.35 -1.93 0.00 0.00 178.83 175.31 1s64 h PRO 304 N 0.23 -0.55 0.00 -2.39 0.11 -1.78 -3.29 132.00 124.33 1s64 h PRO 304 Ca 0.56 0.04 0.00 0.00 0.11 0.00 0.00 66.00 66.71 1s64 h PRO 304 Cb 1.14 0.13 0.00 0.00 0.11 0.00 0.00 31.00 32.38 1s64 h PRO 304 CO -0.64 -0.37 -0.58 -1.13 -0.21 0.00 0.00 178.00 175.07 1s64 n SER 305 N -5.45 1.18 -1.55 -2.05 3.41 -0.96 -4.67 113.62 103.54 1s64 n SER 305 Ca -0.06 0.20 0.00 0.00 -0.26 0.00 0.00 58.87 58.75 1s64 n SER 305 Cb 0.37 -0.62 0.00 0.00 -0.26 0.00 0.00 64.21 63.70 1s64 n SER 305 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 1s64 n HIS 306 N -3.69 0.00 -1.92 7.33 8.25 -0.36 -4.92 115.22 119.92 1s64 n HIS 306 Ca -0.08 -0.70 -0.32 0.00 -0.26 0.00 0.00 57.72 56.36 1s64 n HIS 306 Cb 0.30 -0.41 0.02 0.00 1.12 0.00 0.00 29.99 31.02 1s64 n HIS 306 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 1s64 s SER 307 N 1.87 5.80 -0.09 0.41 0.15 -1.21 -4.73 113.70 115.91 1s64 s SER 307 Ca 0.00 1.68 -0.32 0.00 0.70 0.00 0.00 55.95 58.01 1s64 s SER 307 Cb 0.00 -2.51 0.12 0.00 -1.71 0.00 0.00 66.02 61.92 1s64 s SER 307 CO 0.00 -1.15 1.04 -0.94 1.20 0.00 0.00 173.24 173.38 1s64 s SER 308 N -3.30 -0.26 0.47 5.45 1.04 -1.26 -4.88 113.70 110.96 1s64 s SER 308 Ca 0.60 -0.00 0.13 0.00 0.48 0.00 0.00 55.95 57.16 1s64 s SER 308 Cb -0.14 0.27 1.10 0.00 0.10 0.00 0.00 66.02 67.35 1s64 s SER 308 CO 0.44 -0.44 2.10 1.55 0.98 0.00 0.00 173.24 177.86 1s64 h PRO 309 N 2.00 0.18 -0.81 4.02 0.13 -1.94 -1.73 132.00 133.85 1s64 h PRO 309 Ca -0.16 -0.01 -0.03 0.00 -0.87 0.00 0.00 66.00 64.93 1s64 h PRO 309 Cb 1.21 -0.04 -0.04 0.00 0.13 0.00 0.00 31.00 32.26 1s64 h PRO 309 CO 0.27 0.15 0.40 1.88 -0.23 0.00 0.00 178.00 180.46 1s64 h TYR 310 N 0.18 1.15 -0.17 1.56 0.99 -1.95 0.03 116.97 118.75 1s64 h TYR 310 Ca 0.05 -0.05 -0.02 0.00 2.00 0.00 0.00 58.73 60.70 1s64 h TYR 310 Cb 0.03 -0.36 -0.01 0.00 1.00 0.00 0.00 36.73 37.39 1s64 h TYR 310 CO 0.00 0.83 0.01 1.25 -0.00 0.00 0.00 178.16 180.26 1s64 h LEU 311 N 1.14 0.29 -0.72 3.88 6.46 -1.68 -1.54 115.31 123.14 1s64 h LEU 311 Ca 0.28 -0.29 0.03 0.00 -0.12 0.00 0.00 57.88 57.78 1s64 h LEU 311 Cb 0.11 -0.08 -0.04 0.00 -0.73 0.00 0.00 40.66 39.91 1s64 h LEU 311 CO -0.04 0.51 0.45 0.40 -0.62 0.00 0.00 178.44 179.14 1s64 h ILE 312 N 0.07 1.11 -0.85 4.05 1.08 -1.14 -1.01 117.51 120.81 1s64 h ILE 312 Ca 0.05 -0.31 -0.03 0.00 -0.39 0.00 0.00 64.86 64.19 1s64 h ILE 312 Cb 0.35 0.14 -0.04 0.00 -3.07 0.00 0.00 36.82 34.20 1s64 h ILE 312 CO 0.01 0.16 0.43 0.00 -0.69 0.00 0.00 178.15 178.06 1s64 h ALA 313 N 1.30 1.09 -0.49 1.87 0.00 -0.87 -1.32 119.26 120.84 1s64 h ALA 313 Ca 0.28 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 55.03 1s64 h ALA 313 Cb -0.00 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 17.43 1s64 h ALA 313 CO -0.10 0.63 0.26 0.35 0.00 0.00 0.00 179.25 180.39 1s64 h PHE 314 N 1.20 0.67 -0.54 0.00 3.57 -0.49 -1.04 116.94 120.32 1s64 h PHE 314 Ca 0.29 -0.02 0.03 0.00 3.53 0.00 0.00 57.97 61.80 1s64 h PHE 314 Cb 0.09 -0.21 -0.04 0.00 2.79 0.00 0.00 35.95 38.57 1s64 h PHE 314 CO 0.01 0.51 0.31 -0.07 -2.23 0.00 0.00 178.31 176.84 1s64 h LEU 315 N 0.64 0.49 -0.62 0.59 3.38 -0.71 -0.14 115.31 118.94 1s64 h LEU 315 Ca 0.17 0.01 0.04 0.00 0.09 0.00 0.00 57.88 58.19 1s64 h LEU 315 Cb 0.06 -0.09 -0.04 0.00 0.09 0.00 0.00 40.66 40.68 1s64 h LEU 315 CO -0.03 0.34 0.36 0.58 0.09 0.00 0.00 178.44 179.79 1s64 h VAL 316 N 0.61 1.04 -0.55 1.22 2.07 -0.78 -0.72 116.25 119.14 1s64 h VAL 316 Ca 0.22 -0.24 -0.05 0.00 0.82 0.00 0.00 66.70 67.45 1s64 h VAL 316 Cb 0.05 0.27 -0.03 0.00 -1.52 0.00 0.00 31.29 30.07 1s64 h VAL 316 CO -0.11 0.13 0.15 0.44 0.02 0.00 0.00 177.57 178.20 1s64 h ASP 317 N 0.70 0.78 -0.03 0.57 3.45 -0.48 0.94 116.42 122.35 1s64 h ASP 317 Ca 0.26 -0.13 -0.00 0.00 0.43 0.00 0.00 57.03 57.58 1s64 h ASP 317 Cb 0.07 -0.20 -0.00 0.00 -0.56 0.00 0.00 39.33 38.64 1s64 h ASP 317 CO -0.13 0.75 0.01 0.40 -1.57 0.00 0.00 179.24 178.70 1s64 h ILE 318 N 0.81 1.16 -0.89 0.35 2.04 -0.28 -0.83 117.51 119.86 1s64 h ILE 318 Ca 0.18 -0.48 0.04 0.00 1.00 0.00 0.00 64.86 65.60 1s64 h ILE 318 Cb 0.27 1.42 -0.05 0.00 -0.74 0.00 0.00 36.82 37.72 1s64 h ILE 318 CO -0.00 0.13 0.57 1.88 0.00 0.00 0.00 178.15 180.73 1s64 h TYR 319 N -0.14 1.08 -0.69 1.37 0.99 -0.74 -1.29 116.97 117.54 1s64 h TYR 319 Ca 0.01 0.03 -0.07 0.00 2.00 0.00 0.00 58.73 60.70 1s64 h TYR 319 Cb 0.20 -0.36 -0.03 0.00 1.00 0.00 0.00 36.73 37.54 1s64 h TYR 319 CO -0.01 0.61 0.16 1.49 -0.00 0.00 0.00 178.16 180.41 1s64 h GLU 320 N 1.11 1.11 -0.51 4.88 4.81 -0.58 -1.13 114.58 124.27 1s64 h GLU 320 Ca 0.36 -0.27 -0.03 0.00 -0.13 0.00 0.00 59.36 59.29 1s64 h GLU 320 Cb 0.03 -0.15 -0.02 0.00 0.63 0.00 0.00 28.75 29.24 1s64 h GLU 320 CO -0.13 0.98 0.20 0.22 -0.73 0.00 0.00 179.01 179.56 1s64 h ASP 321 N 1.05 0.67 0.15 1.04 -0.00 -0.31 -0.65 116.42 118.38 1s64 h ASP 321 Ca 0.22 -0.08 -0.01 0.00 -0.00 0.00 0.00 57.03 57.16 1s64 h ASP 321 Cb 0.38 -0.17 0.00 0.00 -0.00 0.00 0.00 39.33 39.54 1s64 h ASP 321 CO 0.00 0.62 -0.07 0.24 -0.00 0.00 0.00 179.24 180.03 1s64 h MET 322 N 0.73 -0.20 -0.39 0.28 2.86 -0.47 -2.35 114.93 115.40 1s64 h MET 322 Ca 0.18 0.01 0.08 0.00 -2.06 0.00 0.00 59.70 57.91 1s64 h MET 322 Cb 0.16 0.05 -0.02 0.00 0.06 0.00 0.00 31.60 31.84 1s64 h MET 322 CO -0.02 -0.04 0.27 -0.07 1.06 0.00 0.00 176.91 178.12 1s64 h LEU 323 N -0.32 0.13 -1.15 1.22 3.38 -0.77 0.07 115.31 117.87 1s64 h LEU 323 Ca -0.02 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.88 1s64 h LEU 323 Cb 0.25 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 40.97 1s64 h LEU 323 CO 0.03 0.08 -0.35 -0.08 0.09 0.00 0.00 178.44 178.22 1s64 h GLU 324 N 0.15 0.00 -1.80 1.13 4.57 -0.63 -3.25 114.58 114.75 1s64 h GLU 324 Ca 0.18 0.00 -0.67 0.00 -1.18 0.00 0.00 59.36 57.69 1s64 h GLU 324 Cb 0.52 0.00 -0.36 0.00 -0.16 0.00 0.00 28.75 28.76 1s64 h GLU 324 CO -0.02 0.35 0.01 0.09 -1.18 0.00 0.00 179.01 178.25 1s64 n ASN 325 N -3.69 5.83 -2.84 1.04 3.02 0.01 -4.98 115.26 113.64 1s64 n ASN 325 Ca -0.01 -3.76 -0.07 0.00 -0.03 0.00 0.00 54.58 50.72 1s64 n ASN 325 Cb 0.45 -0.72 0.00 0.00 -0.61 0.00 0.00 39.78 38.90 1s64 n ASN 325 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1s64 n GLN 326 N -0.46 -0.40 -2.03 3.52 10.64 -1.23 -4.91 117.38 122.52 1s64 n GLN 326 Ca 0.44 0.19 -0.29 0.00 -1.83 0.00 0.00 57.00 55.51 1s64 n GLN 326 Cb 0.46 -0.57 0.18 0.00 -0.86 0.00 0.00 30.24 29.45 1s64 n GLN 326 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 1s64 s ASP 328 N -4.88 7.05 -0.53 0.00 1.11 -1.26 -3.99 116.67 114.17 1s64 s ASP 328 Ca 0.73 1.26 -0.02 0.00 0.18 0.00 0.00 52.55 54.70 1s64 s ASP 328 Cb -0.04 -2.36 0.00 0.00 1.07 0.00 0.00 42.92 41.60 1s64 s ASP 328 CO 0.52 0.25 0.30 0.59 1.18 0.00 0.00 175.17 178.02 1s64 n ASN 329 N 1.61 -3.35 -0.31 0.27 3.02 -1.26 -4.84 115.26 110.40 1s64 n ASN 329 Ca -0.10 -0.14 0.09 0.00 -0.03 0.00 0.00 54.58 54.40 1s64 n ASN 329 Cb 0.51 -2.12 0.21 0.00 -0.61 0.00 0.00 39.78 37.77 1s64 n ASN 329 CO 0.00 0.00 0.00 0.50 -2.62 0.00 0.00 177.26 175.14 1s64 h LYS 330 N -0.70 0.04 -0.08 3.52 3.64 -1.99 0.44 116.57 121.45 1s64 h LYS 330 Ca -0.20 -0.00 -0.10 0.00 -1.27 0.00 0.00 60.65 59.08 1s64 h LYS 330 Cb 1.13 -0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.93 1s64 h LYS 330 CO 0.20 0.03 -0.40 1.49 -2.27 0.00 0.00 179.45 178.51 1s64 h GLU 331 N 0.05 0.18 -0.24 1.90 4.57 -1.91 -1.61 114.58 117.51 1s64 h GLU 331 Ca 0.50 -0.08 -0.18 0.00 -1.18 0.00 0.00 59.36 58.41 1s64 h GLU 331 Cb 0.92 -0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 29.51 1s64 h GLU 331 CO -0.83 0.55 -0.58 0.22 -1.18 0.00 0.00 179.01 177.19 1s64 h ASP 332 N 0.15 0.85 -0.10 1.04 3.58 -0.59 -2.77 116.42 118.59 1s64 h ASP 332 Ca 0.01 -0.47 -0.02 0.00 0.42 0.00 0.00 57.03 56.97 1s64 h ASP 332 Cb 0.77 -0.25 -0.00 0.00 1.72 0.00 0.00 39.33 41.57 1s64 h ASP 332 CO 0.06 1.25 -0.03 0.40 -2.88 0.00 0.00 179.24 178.04 1s64 h ILE 333 N 0.58 1.29 -0.96 2.25 1.08 -0.85 -2.86 117.51 118.04 1s64 h ILE 333 Ca 0.00 -0.96 0.17 0.00 -0.39 0.00 0.00 64.86 63.69 1s64 h ILE 333 Cb 1.17 1.72 -0.10 0.00 -3.07 0.00 0.00 36.82 36.54 1s64 h ILE 333 CO 0.12 0.27 0.57 0.25 -0.69 0.00 0.00 178.15 178.67 1s64 h LEU 334 N -0.13 0.73 -1.03 1.44 5.85 -1.30 0.52 115.31 121.40 1s64 h LEU 334 Ca 0.03 0.09 -0.08 0.00 0.84 0.00 0.00 57.88 58.76 1s64 h LEU 334 Cb 0.44 -0.04 -0.01 0.00 0.37 0.00 0.00 40.66 41.42 1s64 h LEU 334 CO 0.01 0.28 -0.37 0.78 -0.34 0.00 0.00 178.44 178.80 1s64 h ASN 335 N 0.75 0.00 0.10 1.25 2.35 -1.39 -1.37 115.58 117.27 1s64 h ASN 335 Ca 0.54 0.00 -0.16 0.00 -0.55 0.00 0.00 56.30 56.14 1s64 h ASN 335 Cb 0.79 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 39.16 1s64 h ASN 335 CO -0.37 0.37 -0.55 0.11 -1.65 0.00 0.00 177.43 175.34 1s64 h LYS 336 N 0.00 0.48 -0.02 0.81 1.57 -0.70 -1.39 116.57 117.33 1s64 h LYS 336 Ca -0.00 -0.31 -0.01 0.00 -1.87 0.00 0.00 60.65 58.46 1s64 h LYS 336 Cb 0.85 0.04 -0.00 0.00 0.08 0.00 0.00 32.23 33.19 1s64 h LYS 336 CO 0.05 0.91 -0.02 0.00 -0.57 0.00 0.00 179.45 179.82 1s64 h ALA 337 N 1.03 0.03 -0.80 3.86 0.00 -1.01 -2.59 119.26 119.78 1s64 h ALA 337 Ca 0.01 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.68 1s64 h ALA 337 Cb 1.08 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.83 1s64 h ALA 337 CO 0.10 -0.22 0.51 -0.07 0.00 0.00 0.00 179.25 179.57 1s64 h LEU 338 N -0.40 0.93 -0.92 0.00 3.38 -1.25 0.13 115.31 117.18 1s64 h LEU 338 Ca 0.00 -0.04 -0.02 0.00 0.09 0.00 0.00 57.88 57.91 1s64 h LEU 338 Cb 0.49 -0.23 -0.04 0.00 0.09 0.00 0.00 40.66 40.97 1s64 h LEU 338 CO 0.00 0.69 0.43 -0.33 0.09 0.00 0.00 178.44 179.33 1s64 h GLU 339 N 1.09 1.20 -0.17 1.13 5.08 -1.23 -1.38 114.58 120.30 1s64 h GLU 339 Ca 0.29 -0.16 -0.22 0.00 -1.00 0.00 0.00 59.36 58.27 1s64 h GLU 339 Cb -0.09 -0.23 0.01 0.00 0.50 0.00 0.00 28.75 28.94 1s64 h GLU 339 CO -0.06 0.91 -0.75 -0.07 -1.00 0.00 0.00 179.01 178.04 1s64 h LEU 340 N 1.20 0.94 -0.52 1.33 3.38 -0.84 -2.26 115.31 118.54 1s64 h LEU 340 Ca 0.30 -0.60 0.03 0.00 0.09 0.00 0.00 57.88 57.69 1s64 h LEU 340 Cb 0.08 -0.28 -0.04 0.00 0.09 0.00 0.00 40.66 40.51 1s64 h LEU 340 CO -0.04 1.40 0.31 0.00 0.09 0.00 0.00 178.44 180.20 1s64 h GLU 342 N 0.61 0.61 -0.53 0.00 4.57 -1.25 -0.72 114.58 117.87 1s64 h GLU 342 Ca 0.21 -0.16 -0.08 0.00 -1.18 0.00 0.00 59.36 58.16 1s64 h GLU 342 Cb 0.04 -0.07 -0.02 0.00 -0.16 0.00 0.00 28.75 28.53 1s64 h GLU 342 CO -0.10 0.66 0.01 0.82 -1.18 0.00 0.00 179.01 179.22 1s64 h ILE 343 N 0.57 1.25 0.00 2.32 2.04 -0.75 0.19 117.51 123.14 1s64 h ILE 343 Ca 0.11 -1.05 -0.00 0.00 1.00 0.00 0.00 64.86 64.93 1s64 h ILE 343 Cb 0.43 0.83 0.00 0.00 -0.74 0.00 0.00 36.82 37.33 1s64 h ILE 343 CO 0.02 0.38 -0.00 -0.07 0.00 0.00 0.00 178.15 178.47 1s64 h LEU 344 N 0.83 -0.00 -0.04 1.44 3.38 -0.58 -1.01 115.31 119.33 1s64 h LEU 344 Ca 0.16 -0.27 -0.00 0.00 0.09 0.00 0.00 57.88 57.85 1s64 h LEU 344 Cb 0.48 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.23 1s64 h LEU 344 CO 0.02 0.27 0.02 0.00 0.09 0.00 0.00 178.44 178.84 1s64 h ALA 345 N 0.71 0.05 -0.05 1.53 0.00 -0.97 0.47 119.26 121.00 1s64 h ALA 345 Ca -0.00 -0.06 -0.19 0.00 0.00 0.00 0.00 54.91 54.66 1s64 h ALA 345 Cb 0.28 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 1s64 h ALA 345 CO 0.00 -0.39 -0.77 -0.22 0.00 0.00 0.00 179.25 177.87 1s64 h LYS 346 N -0.06 0.34 0.00 0.00 3.11 -0.68 -3.36 116.57 115.92 1s64 h LYS 346 Ca 0.01 -0.30 0.00 0.00 -2.81 0.00 0.00 60.65 57.55 1s64 h LYS 346 Cb 0.12 0.07 0.00 0.00 -1.00 0.00 0.00 32.23 31.42 1s64 h LYS 346 CO -0.00 0.96 0.00 -0.85 -2.81 0.00 0.00 179.45 176.75 1s64 n GLU 347 N -3.79 0.28 0.00 1.90 0.28 -0.49 -4.87 120.64 113.94 1s64 n GLU 347 Ca -0.04 0.00 -0.09 0.00 -0.16 0.00 0.00 57.16 56.87 1s64 n GLU 347 Cb 0.73 -0.42 -0.13 0.00 1.43 0.00 0.00 31.44 33.05 1s64 n GLU 347 CO 0.00 0.00 0.00 0.87 -0.16 0.00 0.00 177.13 177.84 1s64 h LYS 348 N 0.00 0.01 -1.32 3.44 1.79 -1.17 -3.41 116.57 115.92 1s64 h LYS 348 Ca 0.00 -0.02 -0.40 0.00 -2.18 0.00 0.00 60.65 58.05 1s64 h LYS 348 Cb 0.00 0.01 -0.35 0.00 -1.58 0.00 0.00 32.23 30.31 1s64 h LYS 348 CO 0.00 0.67 -1.05 -3.47 -1.08 0.00 0.00 179.45 174.52 1s64 n ASP 349 N -3.15 0.45 -0.07 0.86 4.64 0.16 -4.61 116.55 114.83 1s64 n ASP 349 Ca -0.12 -2.96 0.16 0.00 -1.38 0.00 0.00 54.79 50.49 1s64 n ASP 349 Cb 1.02 -0.18 0.58 0.00 -1.04 0.00 0.00 41.12 41.50 1s64 n ASP 349 CO 0.00 0.00 0.00 0.71 -0.82 0.00 0.00 177.20 177.09 1s64 h THR 350 N 1.92 0.80 -0.01 5.18 1.35 -1.69 -1.64 112.91 118.82 1s64 h THR 350 Ca -0.01 -0.08 0.00 0.00 -0.55 0.00 0.00 66.41 65.77 1s64 h THR 350 Cb 1.07 0.53 -0.00 0.00 -1.73 0.00 0.00 68.15 68.03 1s64 h THR 350 CO 0.42 0.04 0.02 -0.29 -0.25 0.00 0.00 175.52 175.46 1s64 h ILE 351 N 0.25 0.25 -0.31 6.82 2.10 -1.90 0.01 117.51 124.73 1s64 h ILE 351 Ca 0.29 0.00 -0.04 0.00 1.08 0.00 0.00 64.86 66.20 1s64 h ILE 351 Cb 0.82 0.98 -0.02 0.00 -1.09 0.00 0.00 36.82 37.51 1s64 h ILE 351 CO -0.06 0.00 0.01 0.54 -1.08 0.00 0.00 178.15 177.56 1s64 n ARG 352 N -3.44 2.85 -0.24 2.19 1.74 -0.62 -4.75 116.66 114.39 1s64 n ARG 352 Ca -0.03 -2.91 0.04 0.00 -0.77 0.00 0.00 57.85 54.19 1s64 n ARG 352 Cb 0.10 -1.87 0.16 0.00 -1.02 0.00 0.00 32.46 29.82 1s64 n ARG 352 CO 0.00 0.00 0.00 1.57 -1.52 0.00 0.00 177.63 177.68 1s64 h LYS 353 N 1.78 0.19 -0.12 5.56 2.10 -1.01 0.21 116.57 125.28 1s64 h LYS 353 Ca 0.05 -0.01 -0.07 0.00 -2.00 0.00 0.00 60.65 58.61 1s64 h LYS 353 Cb 1.54 -0.04 -0.01 0.00 -0.90 0.00 0.00 32.23 32.81 1s64 h LYS 353 CO 0.28 0.13 -0.26 0.93 -2.00 0.00 0.00 179.45 178.53 1s64 h GLU 354 N 0.19 0.22 -0.01 0.07 5.08 -1.85 -1.75 114.58 116.53 1s64 h GLU 354 Ca 0.39 -0.07 -0.00 0.00 -1.00 0.00 0.00 59.36 58.68 1s64 h GLU 354 Cb 0.67 -0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.90 1s64 h GLU 354 CO -0.55 0.47 -0.01 -0.92 -1.00 0.00 0.00 179.01 177.00 1s64 h TYR 355 N 0.20 0.03 -0.85 4.33 3.20 -1.06 -2.03 116.97 120.79 1s64 h TYR 355 Ca 0.03 -0.01 -0.00 0.00 3.14 0.00 0.00 58.73 61.89 1s64 h TYR 355 Cb 0.57 -0.01 -0.04 0.00 1.54 0.00 0.00 36.73 38.79 1s64 h TYR 355 CO 0.01 0.48 0.52 -1.49 -1.64 0.00 0.00 178.16 176.04 1s64 h TRP 356 N -0.42 1.11 -0.34 -3.82 -0.00 -0.78 0.11 115.95 111.81 1s64 h TRP 356 Ca 0.00 0.00 -0.08 0.00 -0.00 0.00 0.00 58.89 58.82 1s64 h TRP 356 Cb 0.47 -0.37 -0.02 0.00 -0.00 0.00 0.00 29.16 29.25 1s64 h TRP 356 CO 0.08 0.73 -0.13 0.00 -0.00 0.00 0.00 178.44 179.13 1s64 h ARG 357 N 1.17 0.59 -0.65 0.49 3.08 -1.33 -0.08 114.38 117.65 1s64 h ARG 357 Ca 0.31 -0.18 -0.08 0.00 0.07 0.00 0.00 59.98 60.09 1s64 h ARG 357 Cb -0.06 -0.06 -0.02 0.00 0.08 0.00 0.00 29.97 29.90 1s64 h ARG 357 CO -0.06 0.70 0.07 -0.92 -1.07 0.00 0.00 179.97 178.70 1s64 h TYR 358 N 0.54 1.17 -0.47 3.04 3.20 -0.45 -1.17 116.97 122.83 1s64 h TYR 358 Ca 0.10 -0.17 -0.05 0.00 3.14 0.00 0.00 58.73 61.74 1s64 h TYR 358 Cb 0.54 -0.32 -0.02 0.00 1.54 0.00 0.00 36.73 38.47 1s64 h TYR 358 CO 0.02 0.99 0.11 0.82 -1.64 0.00 0.00 178.16 178.46 1s64 h ILE 359 N 1.00 1.24 0.22 1.81 1.08 -0.27 -1.87 117.51 120.72 1s64 h ILE 359 Ca 0.19 -0.85 0.01 0.00 -0.39 0.00 0.00 64.86 63.82 1s64 h ILE 359 Cb 0.48 0.88 -0.03 0.00 -3.07 0.00 0.00 36.82 35.09 1s64 h ILE 359 CO 0.02 0.30 -0.28 1.23 -0.69 0.00 0.00 178.15 178.73 1s64 h GLY 360 N 0.64 -0.58 0.46 5.37 0.00 -0.68 -1.24 103.07 107.04 1s64 h GLY 360 Ca 0.15 0.32 0.14 0.00 0.00 0.00 0.00 47.33 47.93 1s64 h GLY 360 CO 0.00 -0.24 0.61 3.21 0.00 0.00 0.00 176.54 180.12 1s64 h ARG 361 N -0.55 0.82 -0.42 4.80 3.08 -1.13 -0.37 114.38 120.61 1s64 h ARG 361 Ca 0.01 -0.05 -0.07 0.00 0.07 0.00 0.00 59.98 59.94 1s64 h ARG 361 Cb 0.53 -0.19 -0.02 0.00 0.08 0.00 0.00 29.97 30.37 1s64 h ARG 361 CO -0.10 0.54 -0.02 0.77 -1.07 0.00 0.00 179.97 180.10 1s64 h SER 362 N 0.85 0.66 -0.31 7.04 0.02 -0.67 -1.88 113.55 119.25 1s64 h SER 362 Ca 0.48 -0.15 -0.14 0.00 -0.84 0.00 0.00 61.79 61.14 1s64 h SER 362 Cb 0.62 -0.17 -0.00 0.00 0.14 0.00 0.00 62.40 62.99 1s64 h SER 362 CO -0.25 0.74 -0.37 -0.07 -1.14 0.00 0.00 176.83 175.74 1s64 h LEU 363 N 0.65 0.87 0.48 5.07 3.38 0.04 -2.94 115.31 122.85 1s64 h LEU 363 Ca 0.13 -0.49 -0.01 0.00 0.09 0.00 0.00 57.88 57.60 1s64 h LEU 363 Cb 0.43 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.91 1s64 h LEU 363 CO 0.02 1.18 -0.47 1.56 0.09 0.00 0.00 178.44 180.82 1s64 h GLN 364 N 0.57 -0.91 0.00 1.13 1.08 -0.91 -1.48 115.11 114.59 1s64 h GLN 364 Ca 0.04 0.06 0.00 0.00 -1.45 0.00 0.00 58.65 57.30 1s64 h GLN 364 Cb 0.96 0.21 0.00 0.00 -0.05 0.00 0.00 27.48 28.59 1s64 h GLN 364 CO 0.09 -0.61 0.00 -1.13 -0.95 0.00 0.00 178.83 176.23 1s64 n SER 365 N -5.29 0.00 -0.00 1.46 3.41 -0.73 -2.59 113.62 109.88 1s64 n SER 365 Ca -0.11 -0.12 0.04 0.00 -0.26 0.00 0.00 58.87 58.41 1s64 n SER 365 Cb 0.43 -0.12 -0.06 0.00 -0.26 0.00 0.00 64.21 64.20 1s64 n SER 365 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 175.04 176.05 1s64 n LYS 366 N -1.12 0.61 -3.37 4.33 4.81 -0.97 -4.84 118.16 117.61 1s64 n LYS 366 Ca 0.06 -0.06 -0.26 0.00 -0.87 0.00 0.00 58.31 57.18 1s64 n LYS 366 Cb 0.05 -1.15 -0.09 0.00 0.02 0.00 0.00 35.03 33.86 1s64 n LYS 366 CO 0.00 0.00 0.00 0.72 1.17 0.00 0.00 177.40 179.29 1s64 n HIS 367 N -1.72 0.45 -1.69 5.64 8.25 -0.60 -5.09 115.22 120.47 1s64 n HIS 367 Ca -0.01 -3.65 0.00 0.00 -0.26 0.00 0.00 57.72 53.80 1s64 n HIS 367 Cb 0.19 -0.21 0.00 0.00 1.12 0.00 0.00 29.99 31.09 1s64 n HIS 367 CO 0.00 0.00 0.00 0.43 0.64 0.00 0.00 176.34 177.41