#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ni1 s LEU 56 N 0.00 3.87 0.26 -2.13 1.43 -1.26 -4.94 118.68 115.90 1ni1 s LEU 56 Ca 0.00 1.97 -0.30 0.00 -1.03 0.00 0.00 54.13 54.76 1ni1 s LEU 56 Cb 0.00 -3.52 -0.11 0.00 0.03 0.00 0.00 46.19 42.59 1ni1 s LEU 56 CO 0.00 -1.46 1.58 -0.44 0.23 0.00 0.00 176.35 176.26 1ni1 s SER 57 N 5.72 6.45 0.29 2.29 0.01 -1.26 -4.87 113.70 122.34 1ni1 s SER 57 Ca 0.86 2.85 0.22 0.00 1.31 0.00 0.00 55.95 61.19 1ni1 s SER 57 Cb -0.32 -2.62 1.09 0.00 0.21 0.00 0.00 66.02 64.37 1ni1 s SER 57 CO 0.35 -0.87 1.67 -0.11 0.41 0.00 0.00 173.24 174.69 1ni1 n LEU 58 N 2.66 0.60 -0.51 2.44 7.94 -1.26 -1.86 117.00 127.01 1ni1 n LEU 58 Ca 0.10 0.72 0.07 0.00 -1.11 0.00 0.00 56.01 55.79 1ni1 n LEU 58 Cb 0.38 -0.73 0.19 0.00 0.53 0.00 0.00 43.42 43.78 1ni1 n LEU 58 CO 0.63 -0.80 0.58 0.47 -1.11 0.00 0.00 177.39 177.16 1ni1 n ASP 59 N -2.24 2.63 -4.82 1.96 10.43 -1.26 -4.97 116.55 118.28 1ni1 n ASP 59 Ca -0.00 -3.31 -0.36 0.00 2.57 0.00 0.00 54.79 53.69 1ni1 n ASP 59 Cb 0.11 -0.50 -0.06 0.00 1.84 0.00 0.00 41.12 42.50 1ni1 n ASP 59 CO 0.00 0.00 0.00 -0.94 -1.07 0.00 0.00 177.20 175.19 1ni1 s SER 60 N -2.67 7.05 0.52 -2.24 1.04 -0.78 -4.95 113.70 111.68 1ni1 s SER 60 Ca 0.37 1.42 0.18 0.00 0.48 0.00 0.00 55.95 58.41 1ni1 s SER 60 Cb 0.33 -2.42 1.32 0.00 0.10 0.00 0.00 66.02 65.34 1ni1 s SER 60 CO 0.02 0.02 2.14 1.55 0.98 0.00 0.00 173.24 177.95 1ni1 h PRO 61 N 3.38 0.00 0.11 4.02 0.13 -1.95 -2.46 132.00 135.24 1ni1 h PRO 61 Ca -0.48 0.00 -0.29 0.00 -0.87 0.00 0.00 66.00 64.36 1ni1 h PRO 61 Cb 1.19 0.00 0.02 0.00 0.13 0.00 0.00 31.00 32.35 1ni1 h PRO 61 CO 0.65 0.03 -1.22 1.79 -0.23 0.00 0.00 178.00 179.02 1ni1 h THR 62 N 0.00 1.31 -0.14 1.56 1.35 -1.93 -3.47 112.91 111.59 1ni1 h THR 62 Ca -0.00 -2.52 -0.10 0.00 -0.55 0.00 0.00 66.41 63.24 1ni1 h THR 62 Cb 0.06 2.69 0.01 0.00 -1.73 0.00 0.00 68.15 69.19 1ni1 h THR 62 CO 0.00 0.76 -0.03 0.00 -0.25 0.00 0.00 175.52 176.00 1ni1 n TYR 63 N -3.76 0.01 -4.57 4.73 9.36 -0.93 -4.94 117.16 117.06 1ni1 n TYR 63 Ca -0.13 0.14 -0.22 0.00 3.32 0.00 0.00 57.90 61.01 1ni1 n TYR 63 Cb 0.98 -0.29 -0.14 0.00 -0.63 0.00 0.00 39.34 39.26 1ni1 n TYR 63 CO 0.00 0.00 0.00 0.14 0.22 0.00 0.00 176.86 177.22 1ni1 s VAL 64 N -0.07 1.24 0.50 2.97 -7.23 -1.26 -5.00 120.40 111.55 1ni1 s VAL 64 Ca 0.11 -0.86 -0.21 0.00 -1.81 0.00 0.00 61.98 59.21 1ni1 s VAL 64 Cb -0.16 -1.07 -0.09 0.00 0.56 0.00 0.00 36.38 35.62 1ni1 s VAL 64 CO 0.08 0.20 0.89 0.18 -0.31 0.00 0.00 175.10 176.14 1ni1 n LEU 65 N 2.28 2.49 -0.01 1.32 4.77 -1.26 -4.85 117.00 121.75 1ni1 n LEU 65 Ca -0.16 0.91 -0.11 0.00 -0.03 0.00 0.00 56.01 56.62 1ni1 n LEU 65 Cb 0.54 -1.32 -0.05 0.00 -2.33 0.00 0.00 43.42 40.26 1ni1 n LEU 65 CO 0.24 -1.93 0.89 1.88 -1.33 0.00 0.00 177.39 177.14 1ni1 h TYR 66 N 0.97 0.14 0.00 -1.77 -1.99 -1.95 -1.80 116.97 110.57 1ni1 h TYR 66 Ca -0.46 -0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.27 1ni1 h TYR 66 Cb 1.36 -0.05 0.00 0.00 2.00 0.00 0.00 36.73 40.04 1ni1 h TYR 66 CO 0.39 0.13 0.08 2.89 -0.00 0.00 0.00 178.16 181.65 1ni1 n ARG 67 N -4.99 0.00 0.00 4.88 1.85 -1.26 0.14 116.66 117.29 1ni1 n ARG 67 Ca -0.05 0.17 0.02 0.00 -1.00 0.00 0.00 57.85 56.99 1ni1 n ARG 67 Cb 0.05 -1.58 0.00 0.00 -1.05 0.00 0.00 32.46 29.89 1ni1 n ARG 67 CO 0.00 0.00 0.00 -0.25 -0.01 0.00 0.00 177.63 177.37 1ni1 n ASP 68 N -1.08 0.91 -4.79 2.89 9.92 -0.69 -5.02 116.55 118.69 1ni1 n ASP 68 Ca 0.00 -0.95 -0.38 0.00 -0.53 0.00 0.00 54.79 52.92 1ni1 n ASP 68 Cb 0.08 0.43 -0.06 0.00 -0.64 0.00 0.00 41.12 40.92 1ni1 n ASP 68 CO 0.00 0.00 0.00 -0.13 0.13 0.00 0.00 177.20 177.20 1ni1 s ARG 69 N -0.86 4.49 0.00 -1.24 0.52 0.38 -5.01 118.95 117.23 1ni1 s ARG 69 Ca 0.04 1.10 0.00 0.00 -0.52 0.00 0.00 55.73 56.35 1ni1 s ARG 69 Cb 0.04 -3.11 0.00 0.00 0.52 0.00 0.00 34.95 32.40 1ni1 s ARG 69 CO 0.12 0.50 0.60 0.00 0.02 0.00 0.00 175.30 176.54 1ni1 n ALA 70 N 1.26 -0.26 -0.35 2.13 0.00 -1.26 -3.16 120.51 118.87 1ni1 n ALA 70 Ca -0.04 0.00 0.26 0.00 0.00 0.00 0.00 53.44 53.66 1ni1 n ALA 70 Cb 0.49 0.00 0.41 0.00 0.00 0.00 0.00 19.45 20.35 1ni1 n ALA 70 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1ni1 n GLU 71 N -1.60 -0.00 -2.88 0.00 4.71 -1.26 0.98 120.64 120.59 1ni1 n GLU 71 Ca 0.00 0.56 -0.36 0.00 -0.01 0.00 0.00 57.16 57.35 1ni1 n GLU 71 Cb 0.00 -1.26 -0.01 0.00 -1.01 0.00 0.00 31.44 29.16 1ni1 n GLU 71 CO 0.00 0.00 0.00 0.91 0.09 0.00 0.00 177.13 178.13 1ni1 n TRP 72 N -3.06 3.14 -0.01 -0.32 7.02 -1.19 -4.53 117.44 118.50 1ni1 n TRP 72 Ca 0.22 -3.15 -0.01 0.00 -1.02 0.00 0.00 57.50 53.55 1ni1 n TRP 72 Cb 1.00 -0.94 -0.02 0.00 -2.42 0.00 0.00 31.31 28.93 1ni1 n TRP 72 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 1ni1 n ALA 73 N 0.23 1.97 0.15 6.99 0.00 0.28 -4.60 120.51 125.52 1ni1 n ALA 73 Ca 0.37 -0.16 0.06 0.00 0.00 0.00 0.00 53.44 53.71 1ni1 n ALA 73 Cb 0.33 0.14 0.05 0.00 0.00 0.00 0.00 19.45 19.97 1ni1 n ALA 73 CO 0.00 0.00 0.00 0.38 0.00 0.00 0.00 177.50 177.88 1ni1 h ASP 74 N 0.00 0.00 -3.32 0.00 3.04 -1.79 -3.45 116.42 110.90 1ni1 h ASP 74 Ca -0.06 0.00 -0.57 0.00 -3.24 0.00 0.00 57.03 53.17 1ni1 h ASP 74 Cb 0.97 0.00 -0.05 0.00 -1.04 0.00 0.00 39.33 39.21 1ni1 h ASP 74 CO 0.00 0.33 0.01 -0.63 -2.04 0.00 0.00 179.24 176.91 1ni1 s ILE 75 N -3.06 4.86 -0.32 4.15 -1.09 -1.26 -5.05 121.20 119.44 1ni1 s ILE 75 Ca 0.04 1.29 -0.10 0.00 -2.23 0.00 0.00 60.65 59.65 1ni1 s ILE 75 Cb 0.07 -3.95 -0.01 0.00 -1.58 0.00 0.00 42.46 36.99 1ni1 s ILE 75 CO 0.73 0.43 0.17 -1.81 -1.23 0.00 0.00 174.94 173.23 1ni1 s ASP 76 N -0.28 5.64 0.26 3.58 -0.00 -1.26 -5.03 116.67 119.58 1ni1 s ASP 76 Ca 0.32 -0.54 -0.30 0.00 -0.00 0.00 0.00 52.55 52.03 1ni1 s ASP 76 Cb -0.19 -2.02 -0.10 0.00 -0.00 0.00 0.00 42.92 40.61 1ni1 s ASP 76 CO 0.18 -0.21 1.33 -2.16 -0.00 0.00 0.00 175.17 174.31 1ni1 s PRO 77 N 1.63 4.36 -0.28 8.23 0.04 -1.26 -4.70 135.00 143.02 1ni1 s PRO 77 Ca 0.05 2.15 -0.11 0.00 0.04 0.00 0.00 61.00 63.13 1ni1 s PRO 77 Cb -0.17 -3.13 -0.05 0.00 0.04 0.00 0.00 34.50 31.18 1ni1 s PRO 77 CO 0.07 -0.25 0.19 0.08 0.04 0.00 0.00 177.00 177.13 1ni1 s VAL 78 N -0.38 5.30 0.87 -0.36 1.01 0.12 -4.88 120.40 122.07 1ni1 s VAL 78 Ca 0.54 0.17 -0.10 0.00 0.00 0.00 0.00 61.98 62.58 1ni1 s VAL 78 Cb -0.39 -3.52 0.12 0.00 0.00 0.00 0.00 36.38 32.59 1ni1 s VAL 78 CO 0.44 0.25 1.12 -2.16 0.00 0.00 0.00 175.10 174.76 1ni1 s PRO 79 N 1.74 1.40 0.47 2.72 0.04 -1.26 -4.44 135.00 135.67 1ni1 s PRO 79 Ca 0.07 1.38 -0.22 0.00 0.04 0.00 0.00 61.00 62.27 1ni1 s PRO 79 Cb -0.16 -1.78 -0.07 0.00 0.04 0.00 0.00 34.50 32.52 1ni1 s PRO 79 CO 0.11 -2.31 1.13 -1.14 0.04 0.00 0.00 177.00 174.83 1ni1 s GLN 80 N -4.74 3.74 -0.94 4.56 0.74 -1.26 -4.98 119.66 116.78 1ni1 s GLN 80 Ca 0.65 1.68 -0.02 0.00 0.05 0.00 0.00 55.36 57.72 1ni1 s GLN 80 Cb -0.21 -2.32 0.27 0.00 1.10 0.00 0.00 33.01 31.84 1ni1 s GLN 80 CO 0.57 -0.55 1.06 -1.71 -0.55 0.00 0.00 175.29 174.12 1ni1 n ASN 81 N -0.62 5.06 0.12 6.67 5.15 -1.26 -4.84 115.26 125.54 1ni1 n ASN 81 Ca 0.08 -3.28 -0.03 0.00 -0.60 0.00 0.00 54.58 50.75 1ni1 n ASN 81 Cb 0.49 -1.09 0.10 0.00 -0.53 0.00 0.00 39.78 38.75 1ni1 n ASN 81 CO 0.00 0.00 0.00 0.44 1.40 0.00 0.00 177.26 179.10 1ni1 h ASP 82 N 5.51 0.02 -5.00 1.20 3.32 -1.99 -3.50 116.42 115.98 1ni1 h ASP 82 Ca 0.19 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.22 1ni1 h ASP 82 Cb 0.72 -0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.26 1ni1 h ASP 82 CO 1.04 0.72 0.00 0.61 -1.72 0.00 0.00 179.24 179.89 1ni1 n GLY 83 N 0.50 1.29 0.36 2.75 0.00 -1.26 -4.62 105.19 104.20 1ni1 n GLY 83 Ca -0.01 -2.16 -0.16 0.00 0.00 0.00 0.00 46.02 43.70 1ni1 n GLY 83 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1ni1 h PRO 84 N 0.00 -0.70 -4.36 1.61 0.13 -2.03 -3.35 132.00 123.29 1ni1 h PRO 84 Ca 0.00 0.05 -0.73 0.00 -0.87 0.00 0.00 66.00 64.45 1ni1 h PRO 84 Cb 0.00 0.16 -0.27 0.00 0.13 0.00 0.00 31.00 31.02 1ni1 h PRO 84 CO 0.00 -0.47 -0.41 -1.12 -0.23 0.00 0.00 178.00 175.78 1ni1 s SER 85 N -4.58 5.80 -0.05 1.44 0.01 -1.26 -5.08 113.70 109.98 1ni1 s SER 85 Ca -0.17 -1.56 -0.23 0.00 1.31 0.00 0.00 55.95 55.30 1ni1 s SER 85 Cb 0.05 -2.05 -0.04 0.00 0.21 0.00 0.00 66.02 64.19 1ni1 s SER 85 CO 0.63 -0.61 0.67 -2.16 0.41 0.00 0.00 173.24 172.18 1ni1 s PRO 86 N 1.47 4.42 0.15 12.44 0.04 -1.26 -5.07 135.00 147.20 1ni1 s PRO 86 Ca 0.04 0.84 0.04 0.00 0.04 0.00 0.00 61.00 61.96 1ni1 s PRO 86 Cb -0.24 -3.43 -0.04 0.00 0.04 0.00 0.00 34.50 30.83 1ni1 s PRO 86 CO 0.03 0.13 0.20 0.14 0.04 0.00 0.00 177.00 177.53 1ni1 s VAL 87 N 0.59 4.84 -1.02 -0.36 -7.23 -1.26 -4.51 120.40 111.46 1ni1 s VAL 87 Ca 0.36 -0.90 -0.13 0.00 -1.81 0.00 0.00 61.98 59.50 1ni1 s VAL 87 Cb -0.18 -3.48 0.13 0.00 0.56 0.00 0.00 36.38 33.41 1ni1 s VAL 87 CO 0.18 -0.09 0.32 1.33 -0.31 0.00 0.00 175.10 176.53 1ni1 n VAL 88 N -0.40 0.00 -2.17 1.32 0.24 -1.26 -4.82 118.33 111.24 1ni1 n VAL 88 Ca -0.08 0.00 -0.41 0.00 -2.04 0.00 0.00 64.34 61.82 1ni1 n VAL 88 Cb 0.54 -0.27 -0.02 0.00 -1.47 0.00 0.00 33.84 32.62 1ni1 n VAL 88 CO 0.00 0.00 0.00 -1.58 -2.14 0.00 0.00 176.83 173.11 1ni1 s GLN 89 N -4.72 4.39 -0.13 7.34 0.74 -1.26 -5.01 119.66 121.02 1ni1 s GLN 89 Ca 0.45 2.15 -0.09 0.00 0.05 0.00 0.00 55.36 57.92 1ni1 s GLN 89 Cb -0.26 -3.10 -0.05 0.00 1.10 0.00 0.00 33.01 30.70 1ni1 s GLN 89 CO 0.55 -0.15 0.19 0.42 -0.55 0.00 0.00 175.29 175.75 1ni1 s ILE 90 N -0.96 5.40 -1.14 -2.34 1.01 -1.26 -5.01 121.20 116.90 1ni1 s ILE 90 Ca 0.50 0.32 -0.16 0.00 0.00 0.00 0.00 60.65 61.31 1ni1 s ILE 90 Cb -0.39 -3.48 0.15 0.00 0.01 0.00 0.00 42.46 38.75 1ni1 s ILE 90 CO 0.49 0.55 1.39 -0.63 0.00 0.00 0.00 174.94 176.74 1ni1 s ILE 91 N -0.54 4.83 0.51 2.92 -1.09 -1.26 -4.99 121.20 121.59 1ni1 s ILE 91 Ca 0.15 -2.24 -0.23 0.00 -2.23 0.00 0.00 60.65 56.09 1ni1 s ILE 91 Cb -0.12 -4.91 -0.06 0.00 -1.58 0.00 0.00 42.46 35.78 1ni1 s ILE 91 CO 0.04 -1.64 1.36 -0.31 -1.23 0.00 0.00 174.94 173.16 1ni1 s TYR 92 N 2.22 2.38 0.93 3.97 1.51 -1.26 -5.00 117.35 122.10 1ni1 s TYR 92 Ca 0.41 1.35 -0.13 0.00 -1.01 0.00 0.00 57.07 57.70 1ni1 s TYR 92 Cb -0.03 -3.81 0.15 0.00 -0.11 0.00 0.00 41.96 38.16 1ni1 s TYR 92 CO -0.02 -2.81 1.14 -1.54 -1.11 0.00 0.00 175.55 171.22 1ni1 s SER 93 N -0.84 3.37 0.06 2.29 1.04 -1.26 -4.80 113.70 113.56 1ni1 s SER 93 Ca 0.68 0.93 -0.29 0.00 0.48 0.00 0.00 55.95 57.74 1ni1 s SER 93 Cb -0.41 -1.47 -0.18 0.00 0.10 0.00 0.00 66.02 64.06 1ni1 s SER 93 CO 0.49 -2.63 1.56 -0.08 0.98 0.00 0.00 173.24 173.56 1ni1 h GLU 94 N -1.55 -0.62 -0.08 4.02 4.57 -1.98 -1.68 114.58 117.25 1ni1 h GLU 94 Ca -0.50 0.04 0.02 0.00 -1.18 0.00 0.00 59.36 57.74 1ni1 h GLU 94 Cb 1.33 0.14 -0.05 0.00 -0.16 0.00 0.00 28.75 30.00 1ni1 h GLU 94 CO 0.60 -0.38 -0.48 -0.22 -1.18 0.00 0.00 179.01 177.35 1ni1 h LYS 95 N -0.72 -0.53 -0.31 1.92 3.64 -1.99 -0.14 116.57 118.43 1ni1 h LYS 95 Ca -0.07 0.04 0.07 0.00 -1.27 0.00 0.00 60.65 59.42 1ni1 h LYS 95 Cb 0.53 0.12 -0.08 0.00 -0.41 0.00 0.00 32.23 32.39 1ni1 h LYS 95 CO 0.11 -0.35 -0.32 0.35 -2.27 0.00 0.00 179.45 176.96 1ni1 h PHE 96 N -0.55 -0.89 0.00 1.91 3.57 -1.93 -0.65 116.94 118.40 1ni1 h PHE 96 Ca 0.02 0.05 -0.00 0.00 3.53 0.00 0.00 57.97 61.57 1ni1 h PHE 96 Cb 0.62 0.44 -0.00 0.00 2.79 0.00 0.00 35.95 39.80 1ni1 h PHE 96 CO -0.55 -0.38 -0.00 -0.09 -2.23 0.00 0.00 178.31 175.06 1ni1 h ARG 97 N -0.29 0.00 0.00 1.11 2.43 -0.90 -2.62 114.38 114.11 1ni1 h ARG 97 Ca 0.15 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.32 1ni1 h ARG 97 Cb 0.54 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.09 1ni1 h ARG 97 CO -0.48 0.00 0.00 -3.47 -1.51 0.00 0.00 179.97 174.52 1ni1 n ASP 98 N -3.12 0.00 -0.42 -3.80 2.03 -0.10 -2.66 116.55 108.48 1ni1 n ASP 98 Ca -0.02 0.42 0.39 0.00 0.52 0.00 0.00 54.79 56.10 1ni1 n ASP 98 Cb 0.11 -0.28 0.64 0.00 -0.72 0.00 0.00 41.12 40.87 1ni1 n ASP 98 CO 0.00 0.00 0.00 0.58 -1.92 0.00 0.00 177.20 175.86 1ni1 h VAL 99 N 0.00 0.05 0.06 5.18 2.07 -1.34 -1.66 116.25 120.61 1ni1 h VAL 99 Ca 0.00 0.00 -0.38 0.00 0.82 0.00 0.00 66.70 67.14 1ni1 h VAL 99 Cb 0.00 0.07 -0.04 0.00 -1.52 0.00 0.00 31.29 29.79 1ni1 h VAL 99 CO 0.00 0.00 -2.22 -1.22 0.02 0.00 0.00 177.57 174.15 1ni1 n TYR 100 N -3.63 0.60 0.23 1.57 4.02 -0.99 -2.61 117.16 116.34 1ni1 n TYR 100 Ca 0.32 0.14 0.10 0.00 -0.01 0.00 0.00 57.90 58.44 1ni1 n TYR 100 Cb 1.68 -1.08 0.67 0.00 -0.02 0.00 0.00 39.34 40.59 1ni1 n TYR 100 CO 0.00 0.00 0.00 -0.44 -1.01 0.00 0.00 176.86 175.41 1ni1 h ASP 101 N -0.05 0.00 0.05 7.72 5.19 -1.09 0.26 116.42 128.50 1ni1 h ASP 101 Ca -0.51 0.00 -0.00 0.00 -0.62 0.00 0.00 57.03 55.90 1ni1 h ASP 101 Cb 1.92 0.00 0.00 0.00 0.18 0.00 0.00 39.33 41.43 1ni1 h ASP 101 CO -0.03 0.00 -0.03 1.88 -3.12 0.00 0.00 179.24 177.94 1ni1 h TYR 102 N 0.00 -0.07 -1.03 4.55 0.05 -1.59 0.34 116.97 119.22 1ni1 h TYR 102 Ca 0.03 -0.00 0.28 0.00 0.05 0.00 0.00 58.73 59.08 1ni1 h TYR 102 Cb 0.13 0.02 -0.07 0.00 1.01 0.00 0.00 36.73 37.82 1ni1 h TYR 102 CO 0.00 0.53 0.70 0.35 -1.05 0.00 0.00 178.16 178.68 1ni1 h PHE 103 N -0.91 0.39 -0.21 4.88 3.57 -1.09 0.92 116.94 124.49 1ni1 h PHE 103 Ca -0.01 0.01 0.04 0.00 3.53 0.00 0.00 57.97 61.54 1ni1 h PHE 103 Cb 0.62 -0.11 -0.04 0.00 2.79 0.00 0.00 35.95 39.21 1ni1 h PHE 103 CO 0.15 0.05 -0.02 -0.09 -2.23 0.00 0.00 178.31 176.17 1ni1 h ARG 104 N 0.24 0.04 0.58 1.11 2.43 -0.50 0.18 114.38 118.46 1ni1 h ARG 104 Ca 0.55 -0.00 -0.02 0.00 -0.81 0.00 0.00 59.98 59.69 1ni1 h ARG 104 Cb 1.67 -0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 31.19 1ni1 h ARG 104 CO -0.17 0.03 -0.49 0.00 -1.51 0.00 0.00 179.97 177.83 1ni1 h ALA 105 N 1.19 -1.15 -0.71 2.80 0.00 0.91 0.60 119.26 122.91 1ni1 h ALA 105 Ca 0.10 -0.20 0.15 0.00 0.00 0.00 0.00 54.91 54.96 1ni1 h ALA 105 Cb 0.14 0.68 -0.11 0.00 0.00 0.00 0.00 17.79 18.50 1ni1 h ALA 105 CO -0.19 -1.18 0.15 0.28 0.00 0.00 0.00 179.25 178.31 1ni1 h VAL 106 N -1.05 0.53 0.03 0.00 2.07 -1.15 0.23 116.25 116.90 1ni1 h VAL 106 Ca -0.07 -0.09 -0.00 0.00 0.82 0.00 0.00 66.70 67.36 1ni1 h VAL 106 Cb 0.89 0.25 0.00 0.00 -1.52 0.00 0.00 31.29 30.91 1ni1 h VAL 106 CO -0.01 0.05 -0.01 0.25 0.02 0.00 0.00 177.57 177.86 1ni1 h LEU 107 N 0.25 -0.03 -0.59 2.57 6.46 -0.25 -0.58 115.31 123.15 1ni1 h LEU 107 Ca 0.39 -0.05 0.11 0.00 -0.12 0.00 0.00 57.88 58.21 1ni1 h LEU 107 Cb 0.65 0.01 -0.09 0.00 -0.73 0.00 0.00 40.66 40.51 1ni1 h LEU 107 CO -0.50 0.03 0.11 -0.61 -0.62 0.00 0.00 178.44 176.85 1ni1 h GLN 108 N -0.09 0.24 -0.95 1.25 4.15 0.30 0.04 115.11 120.05 1ni1 h GLN 108 Ca -0.00 -0.01 -0.48 0.00 0.77 0.00 0.00 58.65 58.92 1ni1 h GLN 108 Cb 0.08 -0.05 -0.29 0.00 0.21 0.00 0.00 27.48 27.43 1ni1 h GLN 108 CO 0.01 0.16 0.60 2.89 -1.93 0.00 0.00 178.83 180.55 1ni1 n ARG 109 N -5.14 2.37 -2.97 1.69 1.85 0.53 -4.92 116.66 110.06 1ni1 n ARG 109 Ca 0.09 -3.03 -0.04 0.00 -1.00 0.00 0.00 57.85 53.86 1ni1 n ARG 109 Cb 0.32 -2.17 -0.01 0.00 -1.05 0.00 0.00 32.46 29.55 1ni1 n ARG 109 CO 0.00 0.00 0.00 -3.47 -0.01 0.00 0.00 177.63 174.15 1ni1 n ASP 110 N -1.06 -0.03 -4.56 2.89 -0.08 -0.00 -4.67 116.55 109.04 1ni1 n ASP 110 Ca 0.57 -0.16 -0.38 0.00 -1.51 0.00 0.00 54.79 53.31 1ni1 n ASP 110 Cb 1.63 -0.20 -0.03 0.00 2.34 0.00 0.00 41.12 44.85 1ni1 n ASP 110 CO 0.00 0.00 0.00 -0.70 0.12 0.00 0.00 177.20 176.62 1ni1 s GLU 111 N -3.97 3.08 0.00 -0.67 2.12 -0.35 -4.84 118.70 114.06 1ni1 s GLU 111 Ca 0.01 -0.38 -0.03 0.00 0.36 0.00 0.00 54.97 54.94 1ni1 s GLU 111 Cb -0.01 -4.78 -0.13 0.00 0.26 0.00 0.00 34.13 29.47 1ni1 s GLU 111 CO 0.13 -2.53 2.14 0.54 -0.54 0.00 0.00 175.26 174.99 1ni1 n ARG 112 N 9.08 1.07 -2.22 4.30 3.00 -1.26 -4.84 116.66 125.79 1ni1 n ARG 112 Ca 0.24 -0.49 -0.27 0.00 -0.01 0.00 0.00 57.85 57.31 1ni1 n ARG 112 Cb 0.50 -1.70 0.17 0.00 0.00 0.00 0.00 32.46 31.43 1ni1 n ARG 112 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.63 176.09 1ni1 s SER 113 N 2.35 3.37 -0.09 0.55 1.04 -1.26 -4.83 113.70 114.82 1ni1 s SER 113 Ca 0.33 -0.11 0.12 0.00 0.48 0.00 0.00 55.95 56.76 1ni1 s SER 113 Cb 0.16 0.04 -0.24 0.00 0.10 0.00 0.00 66.02 66.08 1ni1 s SER 113 CO 0.00 -2.54 0.47 1.21 0.98 0.00 0.00 173.24 173.36 1ni1 n GLU 114 N -3.47 0.66 0.26 4.02 4.07 -1.26 -2.89 120.64 122.01 1ni1 n GLU 114 Ca 0.17 0.22 0.13 0.00 -0.06 0.00 0.00 57.16 57.62 1ni1 n GLU 114 Cb 0.60 -1.72 0.67 0.00 -0.06 0.00 0.00 31.44 30.94 1ni1 n GLU 114 CO 0.00 0.00 0.00 0.07 -0.06 0.00 0.00 177.13 177.14 1ni1 h ARG 115 N 0.01 0.00 0.10 5.31 0.11 -1.96 -2.17 114.38 115.78 1ni1 h ARG 115 Ca -0.37 0.00 -0.15 0.00 0.10 0.00 0.00 59.98 59.56 1ni1 h ARG 115 Cb 2.07 0.00 0.01 0.00 1.11 0.00 0.00 29.97 33.16 1ni1 h ARG 115 CO 0.06 0.13 -0.68 0.00 0.10 0.00 0.00 179.97 179.58 1ni1 h ALA 116 N 1.87 -0.04 -0.79 0.08 0.00 -1.89 -1.56 119.26 116.93 1ni1 h ALA 116 Ca -0.00 -0.69 0.16 0.00 0.00 0.00 0.00 54.91 54.37 1ni1 h ALA 116 Cb 0.46 0.12 -0.05 0.00 0.00 0.00 0.00 17.79 18.31 1ni1 h ALA 116 CO 0.02 0.33 0.53 0.35 0.00 0.00 0.00 179.25 180.47 1ni1 h PHE 117 N -0.53 0.53 -0.09 0.00 3.57 -1.33 0.81 116.94 119.90 1ni1 h PHE 117 Ca -0.13 0.02 -0.22 0.00 3.53 0.00 0.00 57.97 61.17 1ni1 h PHE 117 Cb 1.49 -0.17 0.01 0.00 2.79 0.00 0.00 35.95 40.08 1ni1 h PHE 117 CO 0.21 0.19 -0.81 0.87 -2.23 0.00 0.00 178.31 176.54 1ni1 h LYS 118 N 0.45 0.71 -0.58 1.11 1.57 -1.42 -3.13 116.57 115.28 1ni1 h LYS 118 Ca 0.39 -0.64 0.17 0.00 -1.87 0.00 0.00 60.65 58.70 1ni1 h LYS 118 Cb 0.87 0.15 -0.02 0.00 0.08 0.00 0.00 32.23 33.31 1ni1 h LYS 118 CO -0.14 1.25 0.45 1.25 -0.57 0.00 0.00 179.45 181.69 1ni1 h LEU 119 N 0.41 0.00 0.00 2.94 5.85 0.16 -0.46 115.31 124.21 1ni1 h LEU 119 Ca -0.08 0.00 -0.10 0.00 0.84 0.00 0.00 57.88 58.55 1ni1 h LEU 119 Cb 1.46 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.47 1ni1 h LEU 119 CO 0.16 0.00 -0.50 0.71 -0.34 0.00 0.00 178.44 178.47 1ni1 h THR 120 N 0.00 0.77 -0.37 1.05 1.35 -1.04 -1.64 112.91 113.03 1ni1 h THR 120 Ca 0.28 -2.10 -0.07 0.00 -0.55 0.00 0.00 66.41 63.96 1ni1 h THR 120 Cb 1.18 2.37 -0.02 0.00 -1.73 0.00 0.00 68.15 69.95 1ni1 h THR 120 CO -0.00 0.44 -0.07 -0.09 -0.25 0.00 0.00 175.52 175.54 1ni1 h ARG 121 N 0.00 0.62 0.07 4.72 2.43 -1.13 -0.98 114.38 120.12 1ni1 h ARG 121 Ca -0.01 -0.18 -0.00 0.00 -0.81 0.00 0.00 59.98 58.98 1ni1 h ARG 121 Cb 1.36 -0.07 0.00 0.00 -0.42 0.00 0.00 29.97 30.84 1ni1 h ARG 121 CO 0.06 0.70 -0.03 -0.44 -1.51 0.00 0.00 179.97 178.74 1ni1 h ASP 122 N 0.58 -0.08 0.00 -3.80 3.32 -1.51 -2.28 116.42 112.65 1ni1 h ASP 122 Ca 0.11 -0.14 0.00 0.00 0.02 0.00 0.00 57.03 57.02 1ni1 h ASP 122 Cb 0.48 0.02 0.00 0.00 0.22 0.00 0.00 39.33 40.05 1ni1 h ASP 122 CO 0.03 0.47 0.24 0.00 -1.72 0.00 0.00 179.24 178.26 1ni1 h ALA 123 N -0.86 1.17 0.10 3.45 0.00 -1.33 0.40 119.26 122.19 1ni1 h ALA 123 Ca -0.01 0.00 -0.35 0.00 0.00 0.00 0.00 54.91 54.55 1ni1 h ALA 123 Cb 0.22 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 1ni1 h ALA 123 CO 0.02 -0.17 -1.95 -0.89 0.00 0.00 0.00 179.25 176.26 1ni1 n ILE 124 N -2.16 1.74 0.20 0.00 5.41 -0.37 -3.66 119.36 120.52 1ni1 n ILE 124 Ca -0.01 -0.69 0.04 0.00 1.00 0.00 0.00 62.75 63.09 1ni1 n ILE 124 Cb 0.27 -1.58 0.41 0.00 -0.71 0.00 0.00 39.64 38.02 1ni1 n ILE 124 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 176.55 176.47 1ni1 h GLU 125 N 0.06 0.00 0.00 0.38 4.22 0.32 0.75 114.58 120.30 1ni1 h GLU 125 Ca -0.40 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.04 1ni1 h GLU 125 Cb 2.03 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.28 1ni1 h GLU 125 CO 0.08 0.32 0.00 1.28 -2.18 0.00 0.00 179.01 178.52 1ni1 n LEU 126 N -4.09 0.00 0.00 1.64 4.77 -0.11 -4.50 117.00 114.71 1ni1 n LEU 126 Ca -0.02 0.19 0.00 0.00 -0.03 0.00 0.00 56.01 56.15 1ni1 n LEU 126 Cb 0.37 -0.19 0.00 0.00 -2.33 0.00 0.00 43.42 41.27 1ni1 n LEU 126 CO 0.38 -0.00 0.00 -3.20 -1.33 0.00 0.00 177.39 173.24 1ni1 n ASN 127 N -1.19 0.00 0.00 -1.43 5.15 -0.59 -5.01 115.26 112.19 1ni1 n ASN 127 Ca 0.17 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 54.15 1ni1 n ASN 127 Cb 0.20 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.45 1ni1 n ASN 127 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1ni1 n ALA 128 N 0.00 1.22 -0.64 5.20 0.00 0.25 -0.79 120.51 125.74 1ni1 n ALA 128 Ca 0.00 0.00 0.08 0.00 0.00 0.00 0.00 53.44 53.52 1ni1 n ALA 128 Cb 0.00 -0.81 0.28 0.00 0.00 0.00 0.00 19.45 18.92 1ni1 n ALA 128 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1ni1 n ALA 129 N -0.88 2.87 -3.14 0.00 0.00 -1.26 -4.47 120.51 113.63 1ni1 n ALA 129 Ca 0.00 -1.72 -0.45 0.00 0.00 0.00 0.00 53.44 51.27 1ni1 n ALA 129 Cb 0.00 -0.78 -0.03 0.00 0.00 0.00 0.00 19.45 18.64 1ni1 n ALA 129 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 1ni1 s ASN 130 N -1.24 6.44 0.11 0.00 3.84 0.03 -4.94 114.94 119.18 1ni1 s ASN 130 Ca 0.42 -1.93 -0.21 0.00 0.21 0.00 0.00 52.86 51.34 1ni1 s ASN 130 Cb 0.29 -2.29 -0.08 0.00 -0.55 0.00 0.00 41.25 38.62 1ni1 s ASN 130 CO 0.17 -0.94 1.72 0.10 -2.79 0.00 0.00 177.10 175.36 1ni1 h TYR 131 N 8.71 -0.06 -1.23 0.43 -0.00 -1.89 -2.43 116.97 120.51 1ni1 h TYR 131 Ca -0.09 0.01 0.40 0.00 0.00 0.00 0.00 58.73 59.06 1ni1 h TYR 131 Cb 1.06 0.04 -0.13 0.00 0.00 0.00 0.00 36.73 37.71 1ni1 h TYR 131 CO 0.96 -0.05 0.78 1.15 -0.00 0.00 0.00 178.16 181.00 1ni1 h THR 132 N 0.01 0.18 0.12 -0.90 2.02 -2.01 0.25 112.91 112.58 1ni1 h THR 132 Ca 0.06 -0.05 -0.28 0.00 0.77 0.00 0.00 66.41 66.91 1ni1 h THR 132 Cb 0.08 0.03 0.00 0.00 -1.74 0.00 0.00 68.15 66.52 1ni1 h THR 132 CO -0.12 0.03 -1.31 0.58 0.37 0.00 0.00 175.52 175.07 1ni1 h VAL 133 N 0.14 1.42 -0.22 3.16 2.07 -1.87 -3.04 116.25 117.91 1ni1 h VAL 133 Ca 0.79 -3.01 -0.05 0.00 0.82 0.00 0.00 66.70 65.25 1ni1 h VAL 133 Cb 2.33 2.90 -0.01 0.00 -1.52 0.00 0.00 31.29 34.99 1ni1 h VAL 133 CO -0.44 0.87 -0.07 -0.50 0.02 0.00 0.00 177.57 177.45 1ni1 h TRP 134 N 0.07 0.35 0.41 1.57 4.06 -0.21 -2.38 115.95 119.82 1ni1 h TRP 134 Ca -0.16 -0.03 -0.02 0.00 2.06 0.00 0.00 58.89 60.74 1ni1 h TRP 134 Cb 1.98 -0.10 0.00 0.00 -1.00 0.00 0.00 29.16 30.04 1ni1 h TRP 134 CO 0.06 0.41 -0.20 1.25 -3.56 0.00 0.00 178.44 176.41 1ni1 h HIS 135 N 0.33 -0.51 -1.08 0.49 2.76 -1.34 -1.82 115.15 113.98 1ni1 h HIS 135 Ca 0.07 -0.01 0.29 0.00 -2.20 0.00 0.00 60.37 58.52 1ni1 h HIS 135 Cb 0.33 0.17 -0.07 0.00 1.55 0.00 0.00 27.41 29.39 1ni1 h HIS 135 CO 0.01 -0.19 0.73 0.35 -1.30 0.00 0.00 177.93 177.53 1ni1 h PHE 136 N -0.98 0.37 -0.26 5.26 3.57 -1.44 0.89 116.94 124.35 1ni1 h PHE 136 Ca -0.06 0.01 -0.04 0.00 3.53 0.00 0.00 57.97 61.42 1ni1 h PHE 136 Cb 0.55 -0.11 -0.01 0.00 2.79 0.00 0.00 35.95 39.17 1ni1 h PHE 136 CO 0.02 0.03 0.02 -0.09 -2.23 0.00 0.00 178.31 176.06 1ni1 h ARG 137 N 0.22 0.45 -0.57 1.11 2.43 -1.20 0.46 114.38 117.28 1ni1 h ARG 137 Ca 0.57 -0.13 0.06 0.00 -0.81 0.00 0.00 59.98 59.67 1ni1 h ARG 137 Cb 1.80 -0.05 -0.05 0.00 -0.42 0.00 0.00 29.97 31.25 1ni1 h ARG 137 CO -0.17 0.59 0.27 -0.09 -1.51 0.00 0.00 179.97 179.06 1ni1 h ARG 138 N 0.24 0.49 -0.57 0.20 9.65 0.15 0.24 114.38 124.79 1ni1 h ARG 138 Ca 0.08 -0.03 0.01 0.00 -1.10 0.00 0.00 59.98 58.93 1ni1 h ARG 138 Cb 0.38 -0.11 -0.03 0.00 -1.39 0.00 0.00 29.97 28.82 1ni1 h ARG 138 CO 0.01 0.33 0.37 0.28 2.80 0.00 0.00 179.97 183.76 1ni1 h VAL 139 N 0.51 1.15 0.00 0.20 2.07 -0.33 -1.87 116.25 117.98 1ni1 h VAL 139 Ca 0.26 -0.27 -0.17 0.00 0.82 0.00 0.00 66.70 67.34 1ni1 h VAL 139 Cb 0.21 0.31 -0.02 0.00 -1.52 0.00 0.00 31.29 30.27 1ni1 h VAL 139 CO -0.20 0.14 -0.83 -0.07 0.02 0.00 0.00 177.57 176.63 1ni1 h LEU 140 N 0.77 0.00 -0.94 2.57 3.38 0.13 -1.81 115.31 119.40 1ni1 h LEU 140 Ca 0.21 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 58.10 1ni1 h LEU 140 Cb -0.09 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.64 1ni1 h LEU 140 CO -0.04 0.83 -0.09 -0.07 0.09 0.00 0.00 178.44 179.15 1ni1 h LEU 141 N 0.00 0.65 0.03 1.67 4.07 0.17 -0.43 115.31 121.47 1ni1 h LEU 141 Ca -0.01 -0.18 -0.00 0.00 0.08 0.00 0.00 57.88 57.77 1ni1 h LEU 141 Cb 1.50 -0.18 0.00 0.00 1.08 0.00 0.00 40.66 43.07 1ni1 h LEU 141 CO 0.11 0.78 -0.01 0.03 -1.08 0.00 0.00 178.44 178.27 1ni1 h ARG 142 N 0.62 -0.03 -0.81 1.13 3.08 -1.40 0.13 114.38 117.09 1ni1 h ARG 142 Ca 0.11 0.00 0.17 0.00 0.07 0.00 0.00 59.98 60.33 1ni1 h ARG 142 Cb 0.52 0.01 -0.11 0.00 0.08 0.00 0.00 29.97 30.47 1ni1 h ARG 142 CO 0.03 -0.02 0.33 1.03 -1.07 0.00 0.00 179.97 180.27 1ni1 h SER 143 N -0.45 0.29 0.17 7.04 0.87 -1.43 0.58 113.55 120.62 1ni1 h SER 143 Ca -0.00 0.13 0.00 0.00 -1.23 0.00 0.00 61.79 60.68 1ni1 h SER 143 Cb 0.03 0.11 0.00 0.00 -0.44 0.00 0.00 62.40 62.09 1ni1 h SER 143 CO 0.01 0.07 0.00 0.18 -0.53 0.00 0.00 176.83 176.56 1ni1 n LEU 144 N -5.02 0.00 -3.49 2.23 4.32 -0.17 -4.93 117.00 109.95 1ni1 n LEU 144 Ca 0.17 0.09 -0.19 0.00 -0.02 0.00 0.00 56.01 56.07 1ni1 n LEU 144 Cb 0.49 -0.09 0.01 0.00 -1.62 0.00 0.00 43.42 42.21 1ni1 n LEU 144 CO 0.16 -0.01 -0.07 0.00 -1.22 0.00 0.00 177.39 176.25 1ni1 n GLN 145 N -1.09 -1.60 -4.00 3.23 1.13 0.20 -4.95 117.38 110.30 1ni1 n GLN 145 Ca 0.18 1.15 -0.28 0.00 -1.94 0.00 0.00 57.00 56.12 1ni1 n GLN 145 Cb 0.14 -3.44 -0.04 0.00 0.11 0.00 0.00 30.24 27.00 1ni1 n GLN 145 CO 0.00 0.00 0.00 0.15 -1.44 0.00 0.00 177.06 175.77 1ni1 s LYS 146 N -3.91 3.19 -0.43 -1.09 -0.14 0.41 -5.02 119.74 112.74 1ni1 s LYS 146 Ca 0.07 -0.67 -0.29 0.00 -1.36 0.00 0.00 55.97 53.73 1ni1 s LYS 146 Cb -0.01 -2.84 0.01 0.00 -1.68 0.00 0.00 37.83 33.30 1ni1 s LYS 146 CO 0.85 0.53 1.46 0.34 -0.76 0.00 0.00 175.35 177.77 1ni1 s ASP 147 N -2.95 6.23 0.22 2.83 2.15 -1.26 -4.88 116.67 119.01 1ni1 s ASP 147 Ca 0.33 0.77 0.16 0.00 0.43 0.00 0.00 52.55 54.24 1ni1 s ASP 147 Cb -0.11 -2.54 0.84 0.00 -0.30 0.00 0.00 42.92 40.81 1ni1 s ASP 147 CO 0.26 -1.53 1.49 0.18 -0.17 0.00 0.00 175.17 175.40 1ni1 n LEU 148 N 9.19 0.41 0.10 -1.34 4.77 -1.26 -0.78 117.00 128.09 1ni1 n LEU 148 Ca 0.17 0.68 -0.20 0.00 -0.03 0.00 0.00 56.01 56.62 1ni1 n LEU 148 Cb 0.48 -0.72 -0.15 0.00 -2.33 0.00 0.00 43.42 40.70 1ni1 n LEU 148 CO 0.70 -0.79 -0.28 -0.61 -1.33 0.00 0.00 177.39 175.08 1ni1 h GLN 149 N 0.00 0.37 0.02 3.23 5.75 -1.98 -1.46 115.11 121.03 1ni1 h GLN 149 Ca 0.00 -0.64 -0.00 0.00 -0.15 0.00 0.00 58.65 57.86 1ni1 h GLN 149 Cb 0.04 0.24 0.00 0.00 1.07 0.00 0.00 27.48 28.83 1ni1 h GLN 149 CO 0.00 1.28 -0.01 1.49 -2.65 0.00 0.00 178.83 178.94 1ni1 h GLU 150 N 0.10 -0.02 -0.02 1.69 4.81 -1.36 -0.40 114.58 119.38 1ni1 h GLU 150 Ca -0.24 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.99 1ni1 h GLU 150 Cb 2.07 0.01 -0.00 0.00 0.63 0.00 0.00 28.75 31.46 1ni1 h GLU 150 CO 0.21 0.00 0.02 1.49 -0.73 0.00 0.00 179.01 180.01 1ni1 h GLU 151 N -0.04 0.00 -0.09 1.92 4.57 -1.33 -0.72 114.58 118.87 1ni1 h GLU 151 Ca -0.00 0.00 -0.04 0.00 -1.18 0.00 0.00 59.36 58.14 1ni1 h GLU 151 Cb 0.04 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 28.63 1ni1 h GLU 151 CO 0.00 0.00 -0.08 0.52 -1.18 0.00 0.00 179.01 178.27 1ni1 h MET 152 N 0.00 0.22 -0.37 1.92 2.86 0.01 -1.66 114.93 117.91 1ni1 h MET 152 Ca 0.01 -0.11 0.03 0.00 -2.06 0.00 0.00 59.70 57.56 1ni1 h MET 152 Cb 0.05 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 31.69 1ni1 h MET 152 CO -0.00 0.63 0.18 -0.91 1.06 0.00 0.00 176.91 177.88 1ni1 h ASN 153 N -0.18 0.27 0.53 1.22 2.35 -0.05 0.48 115.58 120.20 1ni1 h ASN 153 Ca 0.02 0.02 -0.02 0.00 -0.55 0.00 0.00 56.30 55.77 1ni1 h ASN 153 Cb 0.59 -0.03 -0.02 0.00 0.05 0.00 0.00 38.32 38.90 1ni1 h ASN 153 CO 0.02 0.20 -0.50 0.22 -1.65 0.00 0.00 177.43 175.72 1ni1 h TYR 154 N 0.38 -1.37 -0.74 1.19 3.20 -1.11 -2.04 116.97 116.47 1ni1 h TYR 154 Ca 0.16 0.01 0.07 0.00 3.14 0.00 0.00 58.73 62.11 1ni1 h TYR 154 Cb 0.06 0.53 -0.06 0.00 1.54 0.00 0.00 36.73 38.80 1ni1 h TYR 154 CO -0.10 -0.67 0.42 0.97 -1.64 0.00 0.00 178.16 177.13 1ni1 h ILE 155 N -1.02 0.94 -0.17 1.81 6.09 -1.16 -1.48 117.51 122.53 1ni1 h ILE 155 Ca -0.07 -0.25 0.05 0.00 -1.37 0.00 0.00 64.86 63.22 1ni1 h ILE 155 Cb 0.88 0.14 -0.07 0.00 0.47 0.00 0.00 36.82 38.24 1ni1 h ILE 155 CO -0.04 0.14 -0.38 0.74 -3.07 0.00 0.00 178.15 175.53 1ni1 h THR 156 N 0.74 0.20 0.14 2.19 2.02 -0.66 -1.14 112.91 116.40 1ni1 h THR 156 Ca 0.34 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.52 1ni1 h THR 156 Cb 0.26 0.20 -0.00 0.00 -1.74 0.00 0.00 68.15 66.86 1ni1 h THR 156 CO -0.21 0.00 -0.12 0.00 0.37 0.00 0.00 175.52 175.56 1ni1 h ALA 157 N 0.29 -0.89 -0.04 6.16 0.00 -0.84 -2.76 119.26 121.17 1ni1 h ALA 157 Ca 0.09 -0.05 0.01 0.00 0.00 0.00 0.00 54.91 54.97 1ni1 h ALA 157 Cb 0.59 0.31 -0.00 0.00 0.00 0.00 0.00 17.79 18.69 1ni1 h ALA 157 CO -0.40 -0.89 0.59 0.97 0.00 0.00 0.00 179.25 179.51 1ni1 h ILE 158 N -0.25 0.02 0.00 0.00 2.10 -1.20 1.03 117.51 119.22 1ni1 h ILE 158 Ca -0.02 0.00 -0.23 0.00 1.08 0.00 0.00 64.86 65.69 1ni1 h ILE 158 Cb 0.21 0.42 -0.04 0.00 -1.09 0.00 0.00 36.82 36.32 1ni1 h ILE 158 CO -0.00 0.00 -1.26 0.40 -1.08 0.00 0.00 178.15 176.21 1ni1 h ILE 159 N 0.00 1.22 -0.01 2.19 2.04 -1.01 -2.98 117.51 118.97 1ni1 h ILE 159 Ca 0.02 -2.94 -0.05 0.00 1.00 0.00 0.00 64.86 62.89 1ni1 h ILE 159 Cb 1.20 2.59 -0.01 0.00 -0.74 0.00 0.00 36.82 39.86 1ni1 h ILE 159 CO -0.00 0.70 -0.23 -0.33 0.00 0.00 0.00 178.15 178.29 1ni1 h GLU 160 N 0.00 0.01 0.00 2.37 4.39 0.14 -0.09 114.58 121.40 1ni1 h GLU 160 Ca -0.13 -0.00 -0.18 0.00 0.34 0.00 0.00 59.36 59.39 1ni1 h GLU 160 Cb 1.82 -0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 30.44 1ni1 h GLU 160 CO 0.10 0.24 -0.84 0.93 -1.16 0.00 0.00 179.01 178.28 1ni1 h GLU 161 N 0.01 0.02 -1.39 2.33 5.08 -1.42 -3.41 114.58 115.80 1ni1 h GLU 161 Ca 0.00 -0.02 -0.32 0.00 -1.00 0.00 0.00 59.36 58.02 1ni1 h GLU 161 Cb 0.41 0.01 -0.24 0.00 0.50 0.00 0.00 28.75 29.43 1ni1 h GLU 161 CO 0.03 0.84 -0.68 0.00 -1.00 0.00 0.00 179.01 178.21 1ni1 n GLN 162 N -3.56 0.46 0.00 2.33 10.64 -0.84 -4.98 117.38 121.42 1ni1 n GLN 162 Ca -0.01 -2.43 0.00 0.00 -1.83 0.00 0.00 57.00 52.73 1ni1 n GLN 162 Cb 0.80 -1.52 0.00 0.00 -0.86 0.00 0.00 30.24 28.66 1ni1 n GLN 162 CO 0.00 0.00 0.00 -0.35 -1.83 0.00 0.00 177.06 174.88 1ni1 n PRO 163 N 2.72 0.98 -1.89 2.61 -0.04 -0.11 -3.37 135.00 135.90 1ni1 n PRO 163 Ca 0.21 0.00 -0.24 0.00 -0.04 0.00 0.00 63.50 63.43 1ni1 n PRO 163 Cb 0.54 -1.09 0.03 0.00 -0.04 0.00 0.00 33.50 32.95 1ni1 n PRO 163 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 1ni1 n LYS 164 N -0.41 3.43 -4.88 0.54 5.02 -1.26 -4.72 118.16 115.88 1ni1 n LYS 164 Ca 0.00 -4.04 -0.26 0.00 -2.02 0.00 0.00 58.31 51.99 1ni1 n LYS 164 Cb 0.04 -2.25 -0.16 0.00 -0.02 0.00 0.00 35.03 32.65 1ni1 n LYS 164 CO 0.00 0.00 0.00 1.21 -0.52 0.00 0.00 177.40 178.09 1ni1 s ASN 165 N -3.40 2.17 0.14 4.39 2.47 -1.22 -5.06 114.94 114.43 1ni1 s ASN 165 Ca 0.52 -0.34 -0.11 0.00 0.42 0.00 0.00 52.86 53.35 1ni1 s ASN 165 Cb 0.42 -0.33 -0.06 0.00 -1.45 0.00 0.00 41.25 39.83 1ni1 s ASN 165 CO 0.03 0.21 1.45 1.88 -3.72 0.00 0.00 177.10 176.95 1ni1 h TYR 166 N 5.81 1.13 -0.13 0.43 -1.99 -1.92 -3.31 116.97 116.98 1ni1 h TYR 166 Ca -0.36 -0.36 -0.09 0.00 2.00 0.00 0.00 58.73 59.91 1ni1 h TYR 166 Cb 1.15 -0.23 0.00 0.00 2.00 0.00 0.00 36.73 39.66 1ni1 h TYR 166 CO 0.41 1.20 -0.29 1.96 -0.00 0.00 0.00 178.16 181.43 1ni1 h GLN 167 N 0.73 0.43 -0.95 4.88 1.08 -1.95 -2.29 115.11 117.05 1ni1 h GLN 167 Ca 0.04 -0.28 0.18 0.00 -1.45 0.00 0.00 58.65 57.14 1ni1 h GLN 167 Cb 1.05 0.04 -0.08 0.00 -0.05 0.00 0.00 27.48 28.44 1ni1 h GLN 167 CO 0.11 0.89 0.60 -0.39 -0.95 0.00 0.00 178.83 179.09 1ni1 h VAL 168 N 0.03 0.75 0.16 -0.54 -1.51 -1.78 0.11 116.25 113.46 1ni1 h VAL 168 Ca 0.00 -0.23 -0.29 0.00 -1.23 0.00 0.00 66.70 64.95 1ni1 h VAL 168 Cb 0.89 0.03 0.01 0.00 -2.13 0.00 0.00 31.29 30.09 1ni1 h VAL 168 CO 0.06 0.12 -1.31 -0.50 -1.23 0.00 0.00 177.57 174.71 1ni1 h TRP 169 N 0.66 0.63 -0.19 5.19 4.06 -1.64 -2.99 115.95 121.66 1ni1 h TRP 169 Ca 0.51 -0.46 -0.09 0.00 2.06 0.00 0.00 58.89 60.91 1ni1 h TRP 169 Cb 0.91 -0.03 -0.01 0.00 -1.00 0.00 0.00 29.16 29.03 1ni1 h TRP 169 CO -0.00 1.36 -0.27 1.25 -3.56 0.00 0.00 178.44 177.21 1ni1 h HIS 170 N 0.09 0.40 -0.44 0.49 2.76 -0.69 -2.42 115.15 115.34 1ni1 h HIS 170 Ca -0.17 -0.08 -0.02 0.00 -2.20 0.00 0.00 60.37 57.90 1ni1 h HIS 170 Cb 2.03 -0.10 -0.02 0.00 1.55 0.00 0.00 27.41 30.87 1ni1 h HIS 170 CO 0.08 0.60 0.20 1.25 -1.30 0.00 0.00 177.93 178.76 1ni1 h HIS 171 N 0.32 0.65 -0.06 5.26 6.17 -0.85 -2.49 115.15 124.15 1ni1 h HIS 171 Ca 0.05 -0.04 0.03 0.00 0.71 0.00 0.00 60.37 61.12 1ni1 h HIS 171 Cb 0.65 -0.20 -0.04 0.00 2.52 0.00 0.00 27.41 30.34 1ni1 h HIS 171 CO 0.02 0.54 -0.18 0.00 0.71 0.00 0.00 177.93 179.01 1ni1 h ARG 172 N 0.57 -0.26 -0.16 5.26 2.47 -1.31 -2.16 114.38 118.80 1ni1 h ARG 172 Ca 0.15 0.02 0.05 0.00 -1.26 0.00 0.00 59.98 58.94 1ni1 h ARG 172 Cb 0.14 0.06 -0.07 0.00 -1.65 0.00 0.00 29.97 28.46 1ni1 h ARG 172 CO -0.02 -0.17 -0.32 -0.09 0.56 0.00 0.00 179.97 179.93 1ni1 h ARG 173 N -0.27 -0.36 -0.14 0.04 2.43 -1.28 -1.91 114.38 112.89 1ni1 h ARG 173 Ca 0.07 0.02 0.04 0.00 -0.81 0.00 0.00 59.98 59.31 1ni1 h ARG 173 Cb 0.37 0.08 -0.07 0.00 -0.42 0.00 0.00 29.97 29.93 1ni1 h ARG 173 CO -0.21 -0.24 -0.43 0.28 -1.51 0.00 0.00 179.97 177.85 1ni1 h VAL 174 N -0.38 0.13 -1.00 0.20 2.07 -1.15 0.12 116.25 116.24 1ni1 h VAL 174 Ca 0.10 0.00 0.18 0.00 0.82 0.00 0.00 66.70 67.80 1ni1 h VAL 174 Cb 0.54 0.13 -0.10 0.00 -1.52 0.00 0.00 31.29 30.34 1ni1 h VAL 174 CO -0.37 0.00 0.62 -0.07 0.02 0.00 0.00 177.57 177.76 1ni1 h LEU 175 N -0.49 0.81 -1.18 2.57 3.38 -1.12 0.67 115.31 119.94 1ni1 h LEU 175 Ca 0.07 0.09 -0.07 0.00 0.09 0.00 0.00 57.88 58.06 1ni1 h LEU 175 Cb 0.63 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 41.31 1ni1 h LEU 175 CO -0.41 0.32 -0.33 0.58 0.09 0.00 0.00 178.44 178.69 1ni1 h VAL 176 N 0.81 0.92 0.00 1.22 2.07 -0.38 0.32 116.25 121.21 1ni1 h VAL 176 Ca 0.56 -1.30 -0.16 0.00 0.82 0.00 0.00 66.70 66.63 1ni1 h VAL 176 Cb 0.82 1.77 -0.02 0.00 -1.52 0.00 0.00 31.29 32.34 1ni1 h VAL 176 CO -0.36 0.33 -0.88 -0.33 0.02 0.00 0.00 177.57 176.35 1ni1 h GLU 177 N 0.00 0.00 0.01 1.57 5.08 0.24 -1.29 114.58 120.19 1ni1 h GLU 177 Ca -0.00 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.34 1ni1 h GLU 177 Cb 0.75 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.00 1ni1 h GLU 177 CO 0.04 0.59 -0.08 -1.49 -1.00 0.00 0.00 179.01 177.07 1ni1 h TRP 178 N 0.00 0.06 -0.03 4.33 6.55 0.72 -3.27 115.95 124.31 1ni1 h TRP 178 Ca -0.05 -0.04 0.00 0.00 0.95 0.00 0.00 58.89 59.74 1ni1 h TRP 178 Cb 1.56 -0.00 0.00 0.00 -0.86 0.00 0.00 29.16 29.86 1ni1 h TRP 178 CO 0.00 0.98 0.00 1.28 -1.05 0.00 0.00 178.44 179.65 1ni1 n LEU 179 N -4.58 0.33 -3.70 -4.49 4.77 0.11 -4.90 117.00 104.53 1ni1 n LEU 179 Ca -0.10 -0.14 -0.20 0.00 -0.03 0.00 0.00 56.01 55.54 1ni1 n LEU 179 Cb 0.49 -0.02 -0.01 0.00 -2.33 0.00 0.00 43.42 41.55 1ni1 n LEU 179 CO 0.36 0.07 -0.15 0.29 -1.33 0.00 0.00 177.39 176.63 1ni1 n LYS 180 N -0.58 -0.77 -3.32 3.23 5.02 -0.51 -4.86 118.16 116.37 1ni1 n LYS 180 Ca 0.15 -0.12 -0.03 0.00 -2.02 0.00 0.00 58.31 56.28 1ni1 n LYS 180 Cb 0.12 -1.16 -0.05 0.00 -0.02 0.00 0.00 35.03 33.92 1ni1 n LYS 180 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 1ni1 s ASP 181 N -4.03 -0.58 -0.03 4.39 2.15 -1.08 -5.01 116.67 112.47 1ni1 s ASP 181 Ca 0.15 0.67 0.21 0.00 0.43 0.00 0.00 52.55 54.01 1ni1 s ASP 181 Cb -0.08 1.66 0.67 0.00 -0.30 0.00 0.00 42.92 44.87 1ni1 s ASP 181 CO 0.49 -0.27 1.57 -0.81 -0.17 0.00 0.00 175.17 175.98 1ni1 n PRO 182 N 5.40 3.03 -0.61 4.34 -0.04 -1.26 -4.67 135.00 141.19 1ni1 n PRO 182 Ca -0.04 -2.74 0.47 0.00 -0.04 0.00 0.00 63.50 61.15 1ni1 n PRO 182 Cb 0.50 -1.67 0.72 0.00 -0.04 0.00 0.00 33.50 33.02 1ni1 n PRO 182 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 1ni1 n SER 183 N 1.51 0.03 -0.49 3.54 3.41 -1.26 -0.23 113.62 120.12 1ni1 n SER 183 Ca 0.25 0.94 0.07 0.00 -0.26 0.00 0.00 58.87 59.87 1ni1 n SER 183 Cb 0.70 -0.47 0.19 0.00 -0.26 0.00 0.00 64.21 64.37 1ni1 n SER 183 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1ni1 n GLN 184 N -3.83 1.55 0.00 4.33 10.64 -1.26 -4.88 117.38 123.92 1ni1 n GLN 184 Ca 0.40 -3.07 0.00 0.00 -1.83 0.00 0.00 57.00 52.50 1ni1 n GLN 184 Cb 1.77 -1.60 0.00 0.00 -0.86 0.00 0.00 30.24 29.54 1ni1 n GLN 184 CO 0.00 0.00 0.00 0.39 -1.83 0.00 0.00 177.06 175.62 1ni1 n GLU 185 N -1.20 0.00 0.00 2.61 -0.58 0.68 -3.51 120.64 118.63 1ni1 n GLU 185 Ca 0.19 0.14 0.00 0.00 -0.42 0.00 0.00 57.16 57.07 1ni1 n GLU 185 Cb 0.71 -0.63 0.00 0.00 -0.57 0.00 0.00 31.44 30.95 1ni1 n GLU 185 CO 0.00 0.00 0.00 1.28 -0.48 0.00 0.00 177.13 177.93 1ni1 n LEU 186 N -0.97 0.00 -0.03 -4.62 4.77 -1.26 -0.55 117.00 114.34 1ni1 n LEU 186 Ca 0.00 0.02 -0.03 0.00 -0.03 0.00 0.00 56.01 55.97 1ni1 n LEU 186 Cb 0.00 -0.02 -0.05 0.00 -2.33 0.00 0.00 43.42 41.02 1ni1 n LEU 186 CO 0.00 -0.02 -0.71 1.21 -1.33 0.00 0.00 177.39 176.54 1ni1 n GLU 187 N -0.74 2.56 0.10 3.23 2.13 -1.26 -3.89 120.64 122.77 1ni1 n GLU 187 Ca 0.00 0.00 -0.03 0.00 0.66 0.00 0.00 57.16 57.79 1ni1 n GLU 187 Cb 0.17 -1.16 0.00 0.00 0.27 0.00 0.00 31.44 30.72 1ni1 n GLU 187 CO 0.00 0.00 0.00 0.35 -0.41 0.00 0.00 177.13 177.07 1ni1 h PHE 188 N 0.00 0.00 -0.01 4.31 3.57 -0.86 -1.99 116.94 121.95 1ni1 h PHE 188 Ca -0.17 0.00 -0.13 0.00 3.53 0.00 0.00 57.97 61.20 1ni1 h PHE 188 Cb 1.37 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 40.10 1ni1 h PHE 188 CO 0.00 0.79 -0.58 0.82 -2.23 0.00 0.00 178.31 177.11 1ni1 h ILE 189 N 0.00 1.41 0.00 1.41 2.04 -1.64 -1.86 117.51 118.87 1ni1 h ILE 189 Ca -0.01 -1.98 -0.09 0.00 1.00 0.00 0.00 64.86 63.78 1ni1 h ILE 189 Cb 1.50 2.05 -0.01 0.00 -0.74 0.00 0.00 36.82 39.62 1ni1 h ILE 189 CO 0.10 0.57 -0.42 0.00 0.00 0.00 0.00 178.15 178.40 1ni1 h ALA 190 N 1.38 0.76 -0.30 1.87 0.00 -1.62 -0.91 119.26 120.44 1ni1 h ALA 190 Ca -0.01 -0.39 -0.04 0.00 0.00 0.00 0.00 54.91 54.48 1ni1 h ALA 190 Cb 1.04 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.75 1ni1 h ALA 190 CO 0.08 0.53 0.04 0.22 0.00 0.00 0.00 179.25 180.12 1ni1 h ASP 191 N 0.00 0.48 -0.04 0.00 3.58 -0.59 -1.33 116.42 118.52 1ni1 h ASP 191 Ca -0.00 -0.27 -0.01 0.00 0.42 0.00 0.00 57.03 57.17 1ni1 h ASP 191 Cb 1.24 -0.13 -0.00 0.00 1.72 0.00 0.00 39.33 42.17 1ni1 h ASP 191 CO 0.06 0.62 -0.01 0.40 -2.88 0.00 0.00 179.24 177.43 1ni1 h ILE 192 N 0.32 1.28 0.00 2.25 1.08 -1.32 -2.45 117.51 118.66 1ni1 h ILE 192 Ca 0.09 -0.84 0.00 0.00 -0.39 0.00 0.00 64.86 63.72 1ni1 h ILE 192 Cb 0.35 1.76 0.00 0.00 -3.07 0.00 0.00 36.82 35.87 1ni1 h ILE 192 CO 0.01 0.23 0.00 0.18 -0.69 0.00 0.00 178.15 177.87 1ni1 n LEU 193 N -4.87 0.00 0.03 1.44 4.77 -0.35 0.68 117.00 118.70 1ni1 n LEU 193 Ca -0.07 0.17 0.11 0.00 -0.03 0.00 0.00 56.01 56.19 1ni1 n LEU 193 Cb 0.20 -0.17 -0.05 0.00 -2.33 0.00 0.00 43.42 41.07 1ni1 n LEU 193 CO 0.34 -0.13 -0.24 -3.20 -1.33 0.00 0.00 177.39 172.83 1ni1 n ASN 194 N -1.17 0.50 -0.00 -1.43 5.15 -0.51 -2.64 115.26 115.16 1ni1 n ASN 194 Ca 0.04 -0.06 0.11 0.00 -0.60 0.00 0.00 54.58 54.07 1ni1 n ASN 194 Cb 0.04 1.10 -0.14 0.00 -0.53 0.00 0.00 39.78 40.25 1ni1 n ASN 194 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1ni1 n GLN 195 N -2.20 0.50 -3.09 1.20 6.02 0.21 -4.82 117.38 115.20 1ni1 n GLN 195 Ca -0.00 -0.13 0.04 0.00 -0.01 0.00 0.00 57.00 56.89 1ni1 n GLN 195 Cb 0.50 -1.53 -0.00 0.00 1.02 0.00 0.00 30.24 30.23 1ni1 n GLN 195 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 177.06 176.39 1ni1 s ASP 196 N -4.20 -0.84 0.00 1.08 -1.08 0.12 -5.03 116.67 106.72 1ni1 s ASP 196 Ca -0.04 -0.05 0.06 0.00 -0.52 0.00 0.00 52.55 52.00 1ni1 s ASP 196 Cb 0.14 1.39 0.26 0.00 -1.46 0.00 0.00 42.92 43.25 1ni1 s ASP 196 CO 0.89 -0.14 1.16 0.00 0.52 0.00 0.00 175.17 177.60 1ni1 n ALA 197 N 4.85 1.31 -0.73 3.66 0.00 -1.08 -2.69 120.51 125.83 1ni1 n ALA 197 Ca 0.08 -0.02 0.07 0.00 0.00 0.00 0.00 53.44 53.57 1ni1 n ALA 197 Cb 0.58 -1.09 0.16 0.00 0.00 0.00 0.00 19.45 19.09 1ni1 n ALA 197 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1ni1 n LYS 198 N -1.46 2.34 -1.58 0.00 5.02 -1.26 -4.80 118.16 116.42 1ni1 n LYS 198 Ca 0.02 -2.40 -0.43 0.00 -2.02 0.00 0.00 58.31 53.48 1ni1 n LYS 198 Cb 0.06 -1.49 -0.03 0.00 -0.02 0.00 0.00 35.03 33.55 1ni1 n LYS 198 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 1ni1 n ASN 199 N -0.70 3.02 -0.33 4.39 2.85 -1.10 -4.84 115.26 118.56 1ni1 n ASN 199 Ca 0.14 0.11 0.11 0.00 -0.11 0.00 0.00 54.58 54.83 1ni1 n ASN 199 Cb 0.62 -1.54 0.32 0.00 1.24 0.00 0.00 39.78 40.42 1ni1 n ASN 199 CO 0.00 0.00 0.00 0.22 -2.11 0.00 0.00 177.26 175.37 1ni1 h TYR 200 N 15.58 0.99 -0.27 1.20 3.20 -1.93 -1.74 116.97 134.01 1ni1 h TYR 200 Ca -0.37 0.03 -0.18 0.00 3.14 0.00 0.00 58.73 61.35 1ni1 h TYR 200 Cb 1.25 -0.31 0.00 0.00 1.54 0.00 0.00 36.73 39.21 1ni1 h TYR 200 CO 0.95 0.33 -0.54 0.45 -1.64 0.00 0.00 178.16 177.71 1ni1 h HIS 201 N 0.81 1.06 -0.72 -3.82 3.86 -1.88 -2.52 115.15 111.94 1ni1 h HIS 201 Ca 0.50 -0.39 0.01 0.00 -1.16 0.00 0.00 60.37 59.34 1ni1 h HIS 201 Cb 0.71 -0.20 -0.04 0.00 1.06 0.00 0.00 27.41 28.95 1ni1 h HIS 201 CO -0.00 1.21 0.47 0.00 0.86 0.00 0.00 177.93 180.47 1ni1 h ALA 202 N 0.66 0.93 0.00 2.45 0.00 -1.62 0.14 119.26 121.82 1ni1 h ALA 202 Ca 0.01 -0.04 -0.08 0.00 0.00 0.00 0.00 54.91 54.80 1ni1 h ALA 202 Cb 1.15 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.65 1ni1 h ALA 202 CO 0.12 0.31 -0.38 -1.49 0.00 0.00 0.00 179.25 177.81 1ni1 h TRP 203 N 0.95 0.00 -0.04 0.00 4.06 -1.43 -1.70 115.95 117.79 1ni1 h TRP 203 Ca 0.27 0.00 -0.09 0.00 2.06 0.00 0.00 58.89 61.13 1ni1 h TRP 203 Cb -0.07 0.00 0.01 0.00 -1.00 0.00 0.00 29.16 28.09 1ni1 h TRP 203 CO -0.03 0.38 -0.34 0.37 -3.56 0.00 0.00 178.44 175.26 1ni1 h GLN 204 N 0.00 0.30 -0.83 0.49 4.15 -0.84 -2.13 115.11 116.25 1ni1 h GLN 204 Ca -0.00 -0.27 -0.02 0.00 0.77 0.00 0.00 58.65 59.13 1ni1 h GLN 204 Cb 0.94 0.07 -0.04 0.00 0.21 0.00 0.00 27.48 28.66 1ni1 h GLN 204 CO 0.05 0.94 0.46 1.25 -1.93 0.00 0.00 178.83 179.60 1ni1 h HIS 205 N -0.24 1.14 -0.59 3.99 2.76 -0.72 -2.14 115.15 119.35 1ni1 h HIS 205 Ca -0.03 -0.03 -0.04 0.00 -2.20 0.00 0.00 60.37 58.07 1ni1 h HIS 205 Cb 1.03 -0.36 -0.03 0.00 1.55 0.00 0.00 27.41 29.60 1ni1 h HIS 205 CO 0.15 0.79 0.22 -0.09 -1.30 0.00 0.00 177.93 177.70 1ni1 h ARG 206 N 1.16 0.86 0.24 5.26 2.43 -1.30 0.47 114.38 123.50 1ni1 h ARG 206 Ca 0.29 -0.14 -0.01 0.00 -0.81 0.00 0.00 59.98 59.31 1ni1 h ARG 206 Cb 0.03 -0.15 0.00 0.00 -0.42 0.00 0.00 29.97 29.43 1ni1 h ARG 206 CO -0.05 0.72 -0.11 1.96 -1.51 0.00 0.00 179.97 180.98 1ni1 h GLN 207 N 0.85 -0.31 0.11 0.20 4.20 -0.93 -2.03 115.11 117.19 1ni1 h GLN 207 Ca 0.20 0.02 0.01 0.00 0.06 0.00 0.00 58.65 58.94 1ni1 h GLN 207 Cb 0.19 0.07 -0.03 0.00 0.30 0.00 0.00 27.48 28.01 1ni1 h GLN 207 CO -0.02 -0.00 -0.40 2.35 -0.67 0.00 0.00 178.83 180.10 1ni1 h TRP 208 N -0.63 -1.15 -0.97 2.96 7.01 -1.16 0.13 115.95 122.14 1ni1 h TRP 208 Ca -0.03 0.03 0.23 0.00 2.11 0.00 0.00 58.89 61.23 1ni1 h TRP 208 Cb 0.45 0.49 -0.18 0.00 -2.10 0.00 0.00 29.16 27.81 1ni1 h TRP 208 CO 0.02 -0.45 -0.09 0.28 -2.79 0.00 0.00 178.44 175.41 1ni1 h VAL 209 N -0.58 0.04 -0.44 2.65 2.07 -0.94 0.12 116.25 119.16 1ni1 h VAL 209 Ca -0.01 -0.00 -0.11 0.00 0.82 0.00 0.00 66.70 67.40 1ni1 h VAL 209 Cb 0.58 0.03 -0.01 0.00 -1.52 0.00 0.00 31.29 30.36 1ni1 h VAL 209 CO -0.20 0.00 -0.14 0.40 0.02 0.00 0.00 177.57 177.65 1ni1 h ILE 210 N 0.01 1.27 0.34 4.57 2.04 -0.55 -3.05 117.51 122.15 1ni1 h ILE 210 Ca 0.54 -1.26 -0.02 0.00 1.00 0.00 0.00 64.86 65.12 1ni1 h ILE 210 Cb 0.99 1.17 0.00 0.00 -0.74 0.00 0.00 36.82 38.24 1ni1 h ILE 210 CO -0.95 0.43 -0.16 1.56 0.00 0.00 0.00 178.15 179.03 1ni1 h GLN 211 N 0.71 -0.44 -0.81 2.37 4.20 0.17 0.29 115.11 121.60 1ni1 h GLN 211 Ca 0.11 0.03 0.10 0.00 0.06 0.00 0.00 58.65 58.94 1ni1 h GLN 211 Cb 0.69 0.10 -0.12 0.00 0.30 0.00 0.00 27.48 28.45 1ni1 h GLN 211 CO 0.05 -0.29 -0.51 0.93 -0.67 0.00 0.00 178.83 178.34 1ni1 h GLU 212 N -0.69 -0.11 -0.57 1.46 4.39 -1.27 -1.01 114.58 116.78 1ni1 h GLU 212 Ca -0.05 0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.66 1ni1 h GLU 212 Cb 0.35 0.03 0.00 0.00 -0.10 0.00 0.00 28.75 29.02 1ni1 h GLU 212 CO 0.08 -0.07 0.00 1.19 -1.16 0.00 0.00 179.01 179.04 1ni1 n PHE 213 N -5.35 0.88 -2.88 4.33 3.01 -1.15 -4.94 117.46 111.36 1ni1 n PHE 213 Ca 0.03 -0.39 -0.19 0.00 1.01 0.00 0.00 57.45 57.90 1ni1 n PHE 213 Cb 0.32 -0.08 0.01 0.00 -0.01 0.00 0.00 39.48 39.71 1ni1 n PHE 213 CO 0.00 0.00 0.00 0.54 1.01 0.00 0.00 176.76 178.31 1ni1 n ARG 214 N 0.95 -3.25 -0.79 -1.08 3.00 -0.39 -4.85 116.66 110.25 1ni1 n ARG 214 Ca 0.18 0.70 -0.10 0.00 -0.01 0.00 0.00 57.85 58.62 1ni1 n ARG 214 Cb 0.55 -5.41 -0.13 0.00 0.00 0.00 0.00 32.46 27.47 1ni1 n ARG 214 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.63 178.91 1ni1 n LEU 215 N -3.45 4.21 0.00 0.55 4.77 -0.02 -4.77 117.00 118.30 1ni1 n LEU 215 Ca -0.11 -2.64 0.00 0.00 -0.03 0.00 0.00 56.01 53.23 1ni1 n LEU 215 Cb 0.60 -1.12 0.00 0.00 -2.33 0.00 0.00 43.42 40.57 1ni1 n LEU 215 CO 0.37 1.23 0.00 0.79 -1.33 0.00 0.00 177.39 178.45 1ni1 n TRP 216 N 2.66 0.00 0.00 -1.77 7.02 -1.26 -4.76 117.44 119.32 1ni1 n TRP 216 Ca 0.35 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.83 1ni1 n TRP 216 Cb 0.70 0.00 0.00 0.00 -2.42 0.00 0.00 31.31 29.59 1ni1 n TRP 216 CO 0.00 0.00 0.00 -0.25 -2.02 0.00 0.00 177.69 175.42 1ni1 n ASP 217 N 0.00 0.00 -0.07 -0.99 8.00 -1.26 -3.58 116.55 118.64 1ni1 n ASP 217 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.50 1ni1 n ASP 217 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.10 1ni1 n ASP 217 CO 0.00 0.00 0.00 -0.46 -0.39 0.00 0.00 177.20 176.35 1ni1 n ASN 218 N 5.51 0.00 -0.02 -2.24 2.04 -1.26 -3.50 115.26 115.79 1ni1 n ASN 218 Ca 0.00 0.00 -0.16 0.00 -0.44 0.00 0.00 54.58 53.98 1ni1 n ASN 218 Cb 0.00 0.00 -0.09 0.00 -2.53 0.00 0.00 39.78 37.16 1ni1 n ASN 218 CO 0.00 0.00 0.00 -0.08 -0.44 0.00 0.00 177.26 176.74 1ni1 h GLU 219 N 0.00 0.45 -0.19 -3.83 4.57 -1.86 -2.69 114.58 111.04 1ni1 h GLU 219 Ca 0.00 -0.40 -0.00 0.00 -1.18 0.00 0.00 59.36 57.78 1ni1 h GLU 219 Cb 0.00 0.09 -0.01 0.00 -0.16 0.00 0.00 28.75 28.67 1ni1 h GLU 219 CO 0.00 1.04 0.11 -0.07 -1.18 0.00 0.00 179.01 178.91 1ni1 h LEU 220 N -0.00 0.22 0.00 1.64 3.38 -1.92 1.57 115.31 120.20 1ni1 h LEU 220 Ca -0.04 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.92 1ni1 h LEU 220 Cb 1.16 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.85 1ni1 h LEU 220 CO 0.10 0.17 0.00 0.00 0.09 0.00 0.00 178.44 178.80 1ni1 n GLN 221 N -4.50 0.32 -0.11 1.13 6.02 -1.12 0.09 117.38 119.22 1ni1 n GLN 221 Ca -0.00 0.09 -0.21 0.00 -0.01 0.00 0.00 57.00 56.86 1ni1 n GLN 221 Cb 0.09 -1.50 -0.07 0.00 1.02 0.00 0.00 30.24 29.78 1ni1 n GLN 221 CO 0.00 0.00 0.00 0.98 -1.01 0.00 0.00 177.06 177.03 1ni1 n TYR 222 N -1.26 0.00 0.21 1.08 9.36 0.48 -3.89 117.16 123.14 1ni1 n TYR 222 Ca 0.10 0.00 0.07 0.00 3.32 0.00 0.00 57.90 61.39 1ni1 n TYR 222 Cb 0.15 -0.76 0.58 0.00 -0.63 0.00 0.00 39.34 38.68 1ni1 n TYR 222 CO 0.00 0.00 0.00 -0.39 0.22 0.00 0.00 176.86 176.69 1ni1 h VAL 223 N -0.91 1.04 -0.18 2.97 -1.51 0.38 -0.24 116.25 117.81 1ni1 h VAL 223 Ca -0.43 -0.14 -0.12 0.00 -1.23 0.00 0.00 66.70 64.78 1ni1 h VAL 223 Cb 1.35 0.97 -0.01 0.00 -2.13 0.00 0.00 31.29 31.47 1ni1 h VAL 223 CO -0.26 0.05 -0.39 0.44 -1.23 0.00 0.00 177.57 176.18 1ni1 h ASP 224 N 0.10 0.41 0.05 4.19 3.45 -0.55 -1.08 116.42 123.00 1ni1 h ASP 224 Ca 0.03 -0.17 -0.00 0.00 0.43 0.00 0.00 57.03 57.31 1ni1 h ASP 224 Cb 0.05 -0.12 0.00 0.00 -0.56 0.00 0.00 39.33 38.70 1ni1 h ASP 224 CO -0.00 0.77 -0.02 -0.61 -1.57 0.00 0.00 179.24 177.80 1ni1 h GLN 225 N 0.33 -0.07 -0.89 3.56 4.15 -1.18 -2.87 115.11 118.14 1ni1 h GLN 225 Ca 0.03 0.00 0.19 0.00 0.77 0.00 0.00 58.65 59.65 1ni1 h GLN 225 Cb 0.84 0.02 -0.07 0.00 0.21 0.00 0.00 27.48 28.48 1ni1 h GLN 225 CO 0.07 -0.04 0.58 -0.07 -1.93 0.00 0.00 178.83 177.44 1ni1 h LEU 226 N -0.08 0.45 -0.74 -2.39 3.38 -1.43 0.52 115.31 115.01 1ni1 h LEU 226 Ca -0.01 0.04 -0.00 0.00 0.09 0.00 0.00 57.88 58.00 1ni1 h LEU 226 Cb 0.05 -0.04 -0.04 0.00 0.09 0.00 0.00 40.66 40.73 1ni1 h LEU 226 CO 0.01 0.19 0.46 -0.07 0.09 0.00 0.00 178.44 179.12 1ni1 h LEU 227 N 0.45 0.87 -0.98 1.67 3.38 -1.22 0.30 115.31 119.79 1ni1 h LEU 227 Ca 0.46 -0.05 -0.11 0.00 0.09 0.00 0.00 57.88 58.28 1ni1 h LEU 227 Cb 1.07 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 41.59 1ni1 h LEU 227 CO -0.18 0.66 -0.50 0.07 0.09 0.00 0.00 178.44 178.58 1ni1 h LYS 228 N 1.00 0.00 -0.26 1.13 2.10 -0.78 0.14 116.57 119.89 1ni1 h LYS 228 Ca 0.27 0.00 -0.02 0.00 -2.00 0.00 0.00 60.65 58.90 1ni1 h LYS 228 Cb -0.06 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.25 1ni1 h LYS 228 CO -0.05 0.50 0.08 0.93 -2.00 0.00 0.00 179.45 178.91 1ni1 h GLU 229 N 0.00 0.37 0.00 0.07 5.08 0.15 -3.41 114.58 116.83 1ni1 h GLU 229 Ca -0.01 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.31 1ni1 h GLU 229 Cb 0.91 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 30.08 1ni1 h GLU 229 CO 0.07 0.33 0.00 -3.47 -1.00 0.00 0.00 179.01 174.94 1ni1 n ASP 230 N -4.40 0.00 0.00 1.42 -0.08 0.50 -5.03 116.55 108.96 1ni1 n ASP 230 Ca 0.01 0.00 0.03 0.00 -1.51 0.00 0.00 54.79 53.32 1ni1 n ASP 230 Cb 0.15 0.00 0.15 0.00 2.34 0.00 0.00 41.12 43.75 1ni1 n ASP 230 CO 0.00 0.00 0.00 0.52 0.12 0.00 0.00 177.20 177.84 1ni1 n VAL 231 N 0.00 1.19 1.27 5.18 0.31 0.44 -1.53 118.33 125.18 1ni1 n VAL 231 Ca 0.00 0.30 0.14 0.00 -0.01 0.00 0.00 64.34 64.76 1ni1 n VAL 231 Cb 0.00 -1.19 0.54 0.00 -0.91 0.00 0.00 33.84 32.28 1ni1 n VAL 231 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 1ni1 n ARG 232 N -1.38 0.47 -2.22 5.55 1.74 -1.26 -4.71 116.66 114.85 1ni1 n ARG 232 Ca 0.02 -0.17 -0.42 0.00 -0.77 0.00 0.00 57.85 56.51 1ni1 n ARG 232 Cb 0.06 -1.50 -0.03 0.00 -1.02 0.00 0.00 32.46 29.98 1ni1 n ARG 232 CO 0.00 0.00 0.00 1.21 -1.52 0.00 0.00 177.63 177.32 1ni1 s ASN 233 N -2.65 6.84 0.10 0.55 3.84 -0.58 -4.89 114.94 118.15 1ni1 s ASN 233 Ca 0.23 2.08 0.24 0.00 0.21 0.00 0.00 52.86 55.62 1ni1 s ASN 233 Cb 0.19 -2.55 0.21 0.00 -0.55 0.00 0.00 41.25 38.55 1ni1 s ASN 233 CO 0.52 -0.75 1.19 -3.20 -2.79 0.00 0.00 177.10 172.07 1ni1 n ASN 234 N 5.72 0.67 -0.04 -4.21 5.15 -1.26 -3.82 115.26 117.48 1ni1 n ASN 234 Ca 0.14 0.03 -0.13 0.00 -0.60 0.00 0.00 54.58 54.01 1ni1 n ASN 234 Cb 0.44 0.41 -0.08 0.00 -0.53 0.00 0.00 39.78 40.02 1ni1 n ASN 234 CO 0.00 0.00 0.00 0.28 1.40 0.00 0.00 177.26 178.94 1ni1 h SER 235 N 0.00 0.30 0.28 1.20 0.02 -1.90 -2.49 113.55 110.95 1ni1 h SER 235 Ca 0.00 -0.50 -0.08 0.00 -0.84 0.00 0.00 61.79 60.37 1ni1 h SER 235 Cb 0.76 -0.08 -0.01 0.00 0.14 0.00 0.00 62.40 63.21 1ni1 h SER 235 CO 0.00 0.74 -0.33 0.58 -1.14 0.00 0.00 176.83 176.68 1ni1 h VAL 236 N -0.14 1.25 0.00 2.27 2.07 -1.87 0.18 116.25 120.01 1ni1 h VAL 236 Ca 0.01 -1.20 -0.09 0.00 0.82 0.00 0.00 66.70 66.25 1ni1 h VAL 236 Cb 0.66 1.59 -0.01 0.00 -1.52 0.00 0.00 31.29 32.01 1ni1 h VAL 236 CO 0.03 0.35 -0.42 -0.50 0.02 0.00 0.00 177.57 177.06 1ni1 h TRP 237 N 0.08 0.00 0.21 1.57 4.06 -1.65 0.65 115.95 120.87 1ni1 h TRP 237 Ca 0.01 0.00 -0.28 0.00 2.06 0.00 0.00 58.89 60.68 1ni1 h TRP 237 Cb 0.62 0.00 0.03 0.00 -1.00 0.00 0.00 29.16 28.81 1ni1 h TRP 237 CO 0.00 0.42 -1.25 -0.97 -3.56 0.00 0.00 178.44 173.08 1ni1 h ASN 238 N 0.00 0.69 0.42 -3.49 -1.24 -0.76 -2.79 115.58 108.42 1ni1 h ASN 238 Ca -0.00 -0.93 -0.01 0.00 0.71 0.00 0.00 56.30 56.06 1ni1 h ASN 238 Cb 0.87 -0.23 -0.00 0.00 0.73 0.00 0.00 38.32 39.70 1ni1 h ASN 238 CO 0.05 1.60 -0.06 -0.61 -1.29 0.00 0.00 177.43 177.12 1ni1 h GLN 239 N -0.06 0.00 -0.04 6.67 5.75 -0.42 -0.34 115.11 126.67 1ni1 h GLN 239 Ca -0.22 0.00 -0.04 0.00 -0.15 0.00 0.00 58.65 58.23 1ni1 h GLN 239 Cb 1.97 0.00 0.00 0.00 1.07 0.00 0.00 27.48 30.52 1ni1 h GLN 239 CO 0.22 0.06 -0.15 -0.09 -2.65 0.00 0.00 178.83 176.22 1ni1 h ARG 240 N 0.00 0.17 0.00 1.69 2.43 -0.81 -1.91 114.38 115.95 1ni1 h ARG 240 Ca -0.00 -0.13 -0.03 0.00 -0.81 0.00 0.00 59.98 59.01 1ni1 h ARG 240 Cb 0.29 0.03 -0.00 0.00 -0.42 0.00 0.00 29.97 29.86 1ni1 h ARG 240 CO 0.01 0.78 -0.16 1.25 -1.51 0.00 0.00 179.97 180.34 1ni1 h HIS 241 N -0.41 0.00 0.29 2.20 2.76 -1.14 -2.89 115.15 115.96 1ni1 h HIS 241 Ca -0.01 0.00 -0.01 0.00 -2.20 0.00 0.00 60.37 58.15 1ni1 h HIS 241 Cb 0.80 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.76 1ni1 h HIS 241 CO 0.14 0.16 -0.14 0.35 -1.30 0.00 0.00 177.93 177.14 1ni1 h PHE 242 N 0.00 -0.36 0.00 5.26 3.57 -0.87 -2.26 116.94 122.27 1ni1 h PHE 242 Ca -0.00 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.49 1ni1 h PHE 242 Cb 0.41 0.12 0.00 0.00 2.79 0.00 0.00 35.95 39.27 1ni1 h PHE 242 CO 0.00 -0.02 0.00 0.28 -2.23 0.00 0.00 178.31 176.34 1ni1 n VAL 243 N -5.10 0.00 0.00 1.41 0.31 -0.74 -1.87 118.33 112.34 1ni1 n VAL 243 Ca -0.09 1.31 0.00 0.00 -0.01 0.00 0.00 64.34 65.55 1ni1 n VAL 243 Cb 0.26 -2.19 0.00 0.00 -0.91 0.00 0.00 33.84 31.00 1ni1 n VAL 243 CO 0.00 0.00 0.00 -0.38 -1.32 0.00 0.00 176.83 175.13 1ni1 n ILE 244 N -1.60 0.00 -0.48 2.52 5.41 -1.11 -0.11 119.36 123.99 1ni1 n ILE 244 Ca 0.00 1.26 0.40 0.00 1.00 0.00 0.00 62.75 65.41 1ni1 n ILE 244 Cb 0.00 -1.73 0.68 0.00 -0.71 0.00 0.00 39.64 37.88 1ni1 n ILE 244 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 176.55 177.32 1ni1 h SER 245 N 0.00 0.20 1.07 4.38 4.64 -1.49 0.49 113.55 122.83 1ni1 h SER 245 Ca 0.00 0.14 0.00 0.00 -0.47 0.00 0.00 61.79 61.46 1ni1 h SER 245 Cb 0.00 0.14 0.00 0.00 -0.31 0.00 0.00 62.40 62.23 1ni1 h SER 245 CO 0.00 -0.21 -0.89 0.78 -0.87 0.00 0.00 176.83 175.64 1ni1 h ASN 246 N 0.04 0.00 0.00 4.97 4.21 0.05 -3.35 115.58 121.49 1ni1 h ASN 246 Ca 0.86 -0.02 0.00 0.00 1.21 0.00 0.00 56.30 58.35 1ni1 h ASN 246 Cb 2.80 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 40.00 1ni1 h ASN 246 CO -0.42 0.01 0.00 0.35 -1.29 0.00 0.00 177.43 176.09 1ni1 n THR 247 N -2.66 0.00 0.46 2.81 -2.24 0.13 -4.83 114.28 107.95 1ni1 n THR 247 Ca 0.01 0.00 0.12 0.00 -2.27 0.00 0.00 64.05 61.91 1ni1 n THR 247 Cb 0.54 -0.31 0.47 0.00 -2.10 0.00 0.00 70.33 68.93 1ni1 n THR 247 CO 0.00 0.00 0.00 1.07 -0.57 0.00 0.00 175.07 175.57 1ni1 n THR 248 N 0.00 0.77 -1.35 4.28 5.66 -1.03 -5.02 114.28 117.59 1ni1 n THR 248 Ca 0.00 0.11 0.11 0.00 -3.05 0.00 0.00 64.05 61.23 1ni1 n THR 248 Cb 0.00 -1.01 -0.03 0.00 -1.55 0.00 0.00 70.33 67.74 1ni1 n THR 248 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1ni1 n GLY 249 N 0.31 -1.96 0.00 1.09 0.00 0.10 -4.59 105.19 100.15 1ni1 n GLY 249 Ca 0.03 -1.28 0.04 0.00 0.00 0.00 0.00 46.02 44.81 1ni1 n GLY 249 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1ni1 n TYR 250 N -2.90 0.00 -0.16 1.61 4.02 -1.26 -4.55 117.16 113.91 1ni1 n TYR 250 Ca 0.01 0.00 0.15 0.00 -0.01 0.00 0.00 57.90 58.04 1ni1 n TYR 250 Cb 0.38 -0.11 0.49 0.00 -0.02 0.00 0.00 39.34 40.08 1ni1 n TYR 250 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 176.86 176.51 1ni1 h SER 251 N 0.00 0.41 -2.07 7.72 4.64 -2.00 -3.39 113.55 118.86 1ni1 h SER 251 Ca 0.00 0.02 -0.58 0.00 -0.47 0.00 0.00 61.79 60.77 1ni1 h SER 251 Cb 0.27 -0.06 0.01 0.00 -0.31 0.00 0.00 62.40 62.31 1ni1 h SER 251 CO 0.00 0.22 1.43 -0.67 -0.87 0.00 0.00 176.83 176.94 1ni1 n ASP 252 N -4.48 3.50 -0.16 4.97 -0.08 -1.26 -4.84 116.55 114.18 1ni1 n ASP 252 Ca 0.14 0.38 -0.02 0.00 -1.51 0.00 0.00 54.79 53.78 1ni1 n ASP 252 Cb 0.50 -1.55 0.06 0.00 2.34 0.00 0.00 41.12 42.47 1ni1 n ASP 252 CO 0.00 0.00 0.00 0.03 0.12 0.00 0.00 177.20 177.35 1ni1 h ARG 253 N 13.93 0.08 -0.01 -0.67 3.08 -1.98 -2.64 114.38 126.17 1ni1 h ARG 253 Ca -0.43 -0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.61 1ni1 h ARG 253 Cb 1.24 -0.02 -0.00 0.00 0.08 0.00 0.00 29.97 31.27 1ni1 h ARG 253 CO 0.96 0.05 -0.05 0.00 -1.07 0.00 0.00 179.97 179.86 1ni1 h ALA 254 N 1.48 -0.50 -0.50 0.04 0.00 -1.92 0.39 119.26 118.25 1ni1 h ALA 254 Ca 0.26 -0.01 0.08 0.00 0.00 0.00 0.00 54.91 55.24 1ni1 h ALA 254 Cb 0.40 0.57 -0.10 0.00 0.00 0.00 0.00 17.79 18.66 1ni1 h ALA 254 CO -0.46 -0.52 -0.40 0.28 0.00 0.00 0.00 179.25 178.15 1ni1 h VAL 255 N -0.05 0.13 0.00 0.00 2.07 -1.91 0.57 116.25 117.05 1ni1 h VAL 255 Ca 0.00 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.52 1ni1 h VAL 255 Cb 0.06 0.13 0.00 0.00 -1.52 0.00 0.00 31.29 29.95 1ni1 h VAL 255 CO -0.03 0.00 0.00 -0.11 0.02 0.00 0.00 177.57 177.45 1ni1 n LEU 256 N -5.42 0.00 -0.24 2.57 7.94 -1.00 0.13 117.00 120.99 1ni1 n LEU 256 Ca 0.01 0.89 0.22 0.00 -1.11 0.00 0.00 56.01 56.02 1ni1 n LEU 256 Cb 0.35 -0.39 0.38 0.00 0.53 0.00 0.00 43.42 44.29 1ni1 n LEU 256 CO 0.02 -0.39 0.69 1.21 -1.11 0.00 0.00 177.39 177.80 1ni1 n GLU 257 N -2.18 -0.03 0.11 1.96 0.00 0.14 0.13 120.64 120.76 1ni1 n GLU 257 Ca 0.00 0.80 -0.10 0.00 0.00 0.00 0.00 57.16 57.86 1ni1 n GLU 257 Cb 0.00 -1.50 -0.06 0.00 0.00 0.00 0.00 31.44 29.88 1ni1 n GLU 257 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.13 177.04 1ni1 h ARG 258 N 0.00 -0.33 -0.53 5.31 1.12 0.56 -2.89 114.38 117.61 1ni1 h ARG 258 Ca 0.52 0.02 0.06 0.00 -1.11 0.00 0.00 59.98 59.48 1ni1 h ARG 258 Cb 1.53 0.08 -0.06 0.00 -0.01 0.00 0.00 29.97 31.51 1ni1 h ARG 258 CO -0.38 -0.01 0.22 0.93 -3.11 0.00 0.00 179.97 177.63 1ni1 h GLU 259 N -0.96 0.42 -0.52 0.20 4.39 0.94 -1.93 114.58 117.12 1ni1 h GLU 259 Ca -0.04 -0.03 0.10 0.00 0.34 0.00 0.00 59.36 59.74 1ni1 h GLU 259 Cb 0.48 -0.09 -0.11 0.00 -0.10 0.00 0.00 28.75 28.93 1ni1 h GLU 259 CO 0.06 0.28 -0.32 0.28 -1.16 0.00 0.00 179.01 178.14 1ni1 h VAL 260 N 0.43 0.20 0.00 3.13 2.07 -0.71 0.31 116.25 121.68 1ni1 h VAL 260 Ca 0.25 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.77 1ni1 h VAL 260 Cb 0.23 0.20 0.00 0.00 -1.52 0.00 0.00 31.29 30.20 1ni1 h VAL 260 CO -0.22 0.00 0.00 0.00 0.02 0.00 0.00 177.57 177.37 1ni1 n GLN 261 N -5.43 0.00 -0.20 1.57 1.13 -0.79 -1.17 117.38 112.50 1ni1 n GLN 261 Ca 0.03 0.44 0.02 0.00 -1.94 0.00 0.00 57.00 55.56 1ni1 n GLN 261 Cb 0.35 -1.33 0.06 0.00 0.11 0.00 0.00 30.24 29.42 1ni1 n GLN 261 CO 0.00 0.00 0.00 0.98 -1.44 0.00 0.00 177.06 176.60 1ni1 n TYR 262 N -1.68 0.15 0.36 1.08 9.36 -0.83 0.77 117.16 126.37 1ni1 n TYR 262 Ca 0.00 0.67 -0.15 0.00 3.32 0.00 0.00 57.90 61.74 1ni1 n TYR 262 Cb 0.00 -0.79 -0.07 0.00 -0.63 0.00 0.00 39.34 37.85 1ni1 n TYR 262 CO 0.00 0.00 0.00 1.15 0.22 0.00 0.00 176.86 178.23 1ni1 h THR 263 N 0.00 0.00 -0.98 2.97 2.02 -0.24 -2.83 112.91 113.85 1ni1 h THR 263 Ca 0.24 0.00 0.32 0.00 0.77 0.00 0.00 66.41 67.74 1ni1 h THR 263 Cb 0.38 0.00 -0.18 0.00 -1.74 0.00 0.00 68.15 66.61 1ni1 h THR 263 CO -0.56 0.00 0.23 -0.07 0.37 0.00 0.00 175.52 175.50 1ni1 h LEU 264 N -0.96 -0.14 0.22 2.58 3.38 0.19 0.87 115.31 121.44 1ni1 h LEU 264 Ca -0.09 0.26 0.01 0.00 0.09 0.00 0.00 57.88 58.15 1ni1 h LEU 264 Cb 0.76 0.38 -0.03 0.00 0.09 0.00 0.00 40.66 41.86 1ni1 h LEU 264 CO 0.12 -0.36 -0.29 -0.33 0.09 0.00 0.00 178.44 177.68 1ni1 h GLU 265 N 0.04 -0.54 0.02 1.13 4.39 -0.92 0.55 114.58 119.25 1ni1 h GLU 265 Ca 0.68 0.04 0.03 0.00 0.34 0.00 0.00 59.36 60.45 1ni1 h GLU 265 Cb 1.57 0.12 -0.05 0.00 -0.10 0.00 0.00 28.75 30.29 1ni1 h GLU 265 CO -0.84 -0.36 -0.32 0.52 -1.16 0.00 0.00 179.01 176.85 1ni1 h MET 266 N -0.56 -0.47 0.00 2.33 2.86 0.75 1.66 114.93 121.50 1ni1 h MET 266 Ca 0.01 0.03 0.00 0.00 -2.06 0.00 0.00 59.70 57.68 1ni1 h MET 266 Cb 0.54 0.11 0.00 0.00 0.06 0.00 0.00 31.60 32.31 1ni1 h MET 266 CO -0.10 -0.31 0.14 -0.89 1.06 0.00 0.00 176.91 176.80 1ni1 n ILE 267 N -5.41 1.07 -1.45 -1.22 5.41 0.12 0.24 119.36 118.13 1ni1 n ILE 267 Ca -0.05 0.41 0.03 0.00 1.00 0.00 0.00 62.75 64.13 1ni1 n ILE 267 Cb 0.33 -1.41 0.04 0.00 -0.71 0.00 0.00 39.64 37.89 1ni1 n ILE 267 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 176.55 176.84 1ni1 n LYS 268 N -1.24 0.58 0.00 0.38 5.02 0.25 -3.97 118.16 119.18 1ni1 n LYS 268 Ca 0.00 -1.39 0.00 0.00 -2.02 0.00 0.00 58.31 54.90 1ni1 n LYS 268 Cb 0.14 -0.81 0.00 0.00 -0.02 0.00 0.00 35.03 34.34 1ni1 n LYS 268 CO 0.00 0.00 0.00 -0.11 -0.52 0.00 0.00 177.40 176.77 1ni1 n LEU 269 N -0.43 0.00 -2.90 -0.35 -0.00 0.68 -4.76 117.00 109.24 1ni1 n LEU 269 Ca 0.04 0.00 -0.13 0.00 -0.00 0.00 0.00 56.01 55.92 1ni1 n LEU 269 Cb 0.62 0.00 0.02 0.00 -0.00 0.00 0.00 43.42 44.06 1ni1 n LEU 269 CO 0.00 0.00 0.05 0.52 -0.00 0.00 0.00 177.39 177.96 1ni1 n VAL 270 N -1.55 -0.20 0.00 1.96 0.31 0.21 -5.01 118.33 114.05 1ni1 n VAL 270 Ca 0.00 -2.42 0.00 0.00 -0.01 0.00 0.00 64.34 61.91 1ni1 n VAL 270 Cb 0.15 0.42 0.01 0.00 -0.91 0.00 0.00 33.84 33.51 1ni1 n VAL 270 CO 0.00 0.00 0.00 -0.81 -1.32 0.00 0.00 176.83 174.70 1ni1 n PRO 271 N 1.30 0.00 -0.33 5.55 -0.04 -1.25 -0.48 135.00 139.75 1ni1 n PRO 271 Ca 0.13 0.26 0.07 0.00 -0.04 0.00 0.00 63.50 63.92 1ni1 n PRO 271 Cb 0.61 -1.76 0.21 0.00 -0.04 0.00 0.00 33.50 32.53 1ni1 n PRO 271 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 1ni1 n HIS 272 N -1.27 0.75 -3.05 0.54 8.25 -1.26 -4.73 115.22 114.44 1ni1 n HIS 272 Ca -0.00 -0.69 -0.43 0.00 -0.26 0.00 0.00 57.72 56.34 1ni1 n HIS 272 Cb 0.25 -0.18 -0.06 0.00 1.12 0.00 0.00 29.99 31.12 1ni1 n HIS 272 CO 0.00 0.00 0.00 1.21 0.64 0.00 0.00 176.34 178.19 1ni1 s ASN 273 N -1.45 6.34 0.02 0.41 3.84 0.37 -4.89 114.94 119.57 1ni1 s ASN 273 Ca 0.34 -0.34 0.14 0.00 0.21 0.00 0.00 52.86 53.21 1ni1 s ASN 273 Cb 0.24 -2.35 0.62 0.00 -0.55 0.00 0.00 41.25 39.21 1ni1 s ASN 273 CO 0.13 -0.87 1.46 1.21 -2.79 0.00 0.00 177.10 176.23 1ni1 n GLU 274 N 6.50 0.01 0.19 0.43 2.13 -1.26 -3.27 120.64 125.37 1ni1 n GLU 274 Ca -0.01 0.27 -0.09 0.00 0.66 0.00 0.00 57.16 58.00 1ni1 n GLU 274 Cb 0.48 -1.53 -0.04 0.00 0.27 0.00 0.00 31.44 30.62 1ni1 n GLU 274 CO 0.00 0.00 0.00 1.03 -0.41 0.00 0.00 177.13 177.75 1ni1 h SER 275 N 0.00 -0.47 -0.27 4.31 0.87 -1.90 -0.13 113.55 115.96 1ni1 h SER 275 Ca 0.00 -0.00 0.08 0.00 -1.23 0.00 0.00 61.79 60.64 1ni1 h SER 275 Cb 0.25 0.12 -0.01 0.00 -0.44 0.00 0.00 62.40 62.32 1ni1 h SER 275 CO 0.00 -0.04 0.23 0.00 -0.53 0.00 0.00 176.83 176.49 1ni1 h ALA 276 N -1.11 2.10 0.14 6.23 0.00 -1.84 0.35 119.26 125.13 1ni1 h ALA 276 Ca -0.06 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.84 1ni1 h ALA 276 Cb 0.44 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.25 1ni1 h ALA 276 CO 0.09 -0.37 -0.07 -1.49 0.00 0.00 0.00 179.25 177.42 1ni1 h TRP 277 N 0.00 -0.17 -0.00 0.00 4.06 -1.53 -0.98 115.95 117.32 1ni1 h TRP 277 Ca 0.13 -0.00 -0.01 0.00 2.06 0.00 0.00 58.89 61.07 1ni1 h TRP 277 Cb 0.58 0.06 -0.00 0.00 -1.00 0.00 0.00 29.16 28.80 1ni1 h TRP 277 CO 0.00 0.28 -0.04 -0.91 -3.56 0.00 0.00 178.44 174.22 1ni1 h ASN 278 N -0.88 0.00 -0.01 -3.49 2.35 -0.48 -2.34 115.58 110.73 1ni1 h ASN 278 Ca -0.02 -0.00 -0.16 0.00 -0.55 0.00 0.00 56.30 55.57 1ni1 h ASN 278 Cb 0.53 -0.00 0.01 0.00 0.05 0.00 0.00 38.32 38.91 1ni1 h ASN 278 CO 0.03 0.04 -0.64 0.22 -1.65 0.00 0.00 177.43 175.43 1ni1 h TYR 279 N 0.00 0.66 -0.83 1.19 3.20 -0.97 0.13 116.97 120.34 1ni1 h TYR 279 Ca 0.00 -0.35 0.00 0.00 3.14 0.00 0.00 58.73 61.52 1ni1 h TYR 279 Cb 0.07 -0.08 -0.04 0.00 1.54 0.00 0.00 36.73 38.22 1ni1 h TYR 279 CO 0.00 1.17 0.53 1.25 -1.64 0.00 0.00 178.16 179.47 1ni1 h LEU 280 N -0.04 0.97 -0.11 2.82 5.85 -0.85 0.57 115.31 124.53 1ni1 h LEU 280 Ca -0.08 -0.04 -0.04 0.00 0.84 0.00 0.00 57.88 58.56 1ni1 h LEU 280 Cb 1.34 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 42.12 1ni1 h LEU 280 CO 0.13 0.72 -0.21 0.50 -0.34 0.00 0.00 178.44 179.24 1ni1 h LYS 281 N 1.14 0.00 -0.72 1.25 3.64 -1.48 -3.15 116.57 117.25 1ni1 h LYS 281 Ca 0.30 0.00 0.13 0.00 -1.27 0.00 0.00 60.65 59.82 1ni1 h LYS 281 Cb -0.10 0.00 -0.09 0.00 -0.41 0.00 0.00 32.23 31.63 1ni1 h LYS 281 CO -0.06 0.21 0.27 0.78 -2.27 0.00 0.00 179.45 178.37 1ni1 h GLY 282 N 3.64 1.07 0.09 5.01 0.00 0.30 -0.92 103.07 112.25 1ni1 h GLY 282 Ca -0.00 -0.13 -0.37 0.00 0.00 0.00 0.00 47.33 46.83 1ni1 h GLY 282 CO 0.03 -0.10 -2.07 1.39 0.00 0.00 0.00 176.54 175.79 1ni1 n ILE 283 N -5.02 1.56 0.29 2.60 -0.00 -0.96 -4.27 119.36 113.56 1ni1 n ILE 283 Ca 0.13 -0.35 0.16 0.00 -0.00 0.00 0.00 62.75 62.69 1ni1 n ILE 283 Cb 0.39 -1.83 0.91 0.00 -0.00 0.00 0.00 39.64 39.11 1ni1 n ILE 283 CO 0.00 0.00 0.00 -0.07 -0.00 0.00 0.00 176.55 176.48 1ni1 h LEU 284 N -0.68 0.00 -1.17 1.39 3.38 -1.62 -2.68 115.31 113.92 1ni1 h LEU 284 Ca -0.54 0.00 0.08 0.00 0.09 0.00 0.00 57.88 57.51 1ni1 h LEU 284 Cb 1.63 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 42.32 1ni1 h LEU 284 CO -0.23 0.04 0.58 -0.61 0.09 0.00 0.00 178.44 178.31 1ni1 h GLN 285 N 0.00 0.92 -5.26 1.13 4.15 -1.34 -3.28 115.11 111.43 1ni1 h GLN 285 Ca -0.00 -0.06 -0.66 0.00 0.77 0.00 0.00 58.65 58.70 1ni1 h GLN 285 Cb 0.13 -0.21 -0.16 0.00 0.21 0.00 0.00 27.48 27.45 1ni1 h GLN 285 CO 0.01 0.61 0.09 0.34 -1.93 0.00 0.00 178.83 177.94 1ni1 s ASP 286 N -5.96 6.28 0.00 -0.69 3.68 -1.01 -3.08 116.67 115.89 1ni1 s ASP 286 Ca -0.11 -0.51 0.00 0.00 2.13 0.00 0.00 52.55 54.06 1ni1 s ASP 286 Cb 0.20 -2.31 0.00 0.00 -1.45 0.00 0.00 42.92 39.37 1ni1 s ASP 286 CO 0.80 -0.80 0.00 -1.14 0.13 0.00 0.00 175.17 174.16 1ni1 n ARG 287 N 6.21 0.00 0.00 4.34 0.63 -1.26 -5.01 116.66 121.57 1ni1 n ARG 287 Ca -0.03 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.90 1ni1 n ARG 287 Cb 0.47 0.00 0.00 0.00 0.45 0.00 0.00 32.46 33.38 1ni1 n ARG 287 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1ni1 n GLY 288 N 0.00 3.63 0.18 5.14 0.00 -1.18 -4.75 105.19 108.21 1ni1 n GLY 288 Ca 0.00 -1.02 0.13 0.00 0.00 0.00 0.00 46.02 45.13 1ni1 n GLY 288 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1ni1 h LEU 289 N 0.00 0.00 -1.63 0.99 7.12 -1.74 -1.69 115.31 118.36 1ni1 h LEU 289 Ca 0.00 0.00 0.00 0.00 0.13 0.00 0.00 57.88 58.01 1ni1 h LEU 289 Cb 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 40.13 1ni1 h LEU 289 CO 0.00 0.00 0.00 -1.54 -0.13 0.00 0.00 178.44 176.77 1ni1 n SER 290 N -2.36 2.39 0.03 1.25 3.41 -1.26 -3.90 113.62 113.17 1ni1 n SER 290 Ca -0.01 -1.96 -0.05 0.00 -0.26 0.00 0.00 58.87 56.60 1ni1 n SER 290 Cb 0.10 -0.27 -0.10 0.00 -0.26 0.00 0.00 64.21 63.68 1ni1 n SER 290 CO 0.00 0.00 0.00 -0.09 -0.16 0.00 0.00 175.04 174.79 1ni1 h ARG 291 N 2.70 0.00 -4.19 4.33 9.65 -1.60 -3.42 114.38 121.85 1ni1 h ARG 291 Ca 0.00 0.00 -0.76 0.00 -1.10 0.00 0.00 59.98 58.12 1ni1 h ARG 291 Cb 0.61 0.00 -0.23 0.00 -1.39 0.00 0.00 29.97 28.96 1ni1 h ARG 291 CO 0.00 0.55 0.30 0.71 2.80 0.00 0.00 179.97 184.33 1ni1 s TYR 292 N -2.75 3.56 0.00 2.20 1.51 -1.25 -4.96 117.35 115.66 1ni1 s TYR 292 Ca -0.02 -1.80 0.00 0.00 -1.01 0.00 0.00 57.07 54.24 1ni1 s TYR 292 Cb 0.09 -3.95 0.00 0.00 -0.11 0.00 0.00 41.96 37.98 1ni1 s TYR 292 CO 0.81 -1.14 0.72 -0.35 -1.11 0.00 0.00 175.55 174.49 1ni1 n PRO 293 N 4.75 0.00 0.00 -1.71 -0.04 -1.26 -3.88 135.00 132.86 1ni1 n PRO 293 Ca 0.16 0.34 0.00 0.00 -0.04 0.00 0.00 63.50 63.96 1ni1 n PRO 293 Cb 0.47 -1.22 0.00 0.00 -0.04 0.00 0.00 33.50 32.71 1ni1 n PRO 293 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1ni1 n ASN 294 N -1.34 0.00 0.00 3.54 4.13 -1.26 -1.87 115.26 118.46 1ni1 n ASN 294 Ca 0.00 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.26 1ni1 n ASN 294 Cb 0.00 0.00 0.00 0.00 -1.54 0.00 0.00 39.78 38.24 1ni1 n ASN 294 CO 0.00 0.00 0.00 -0.11 0.28 0.00 0.00 177.26 177.43 1ni1 n LEU 295 N -0.32 0.00 0.00 3.41 7.94 -1.25 -1.64 117.00 125.13 1ni1 n LEU 295 Ca 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.90 1ni1 n LEU 295 Cb 0.00 0.00 0.00 0.00 0.53 0.00 0.00 43.42 43.95 1ni1 n LEU 295 CO 0.00 0.00 0.15 -0.11 -1.11 0.00 0.00 177.39 176.32 1ni1 n LEU 296 N -1.20 0.00 -0.25 -1.96 7.94 -0.78 0.67 117.00 121.41 1ni1 n LEU 296 Ca 0.00 0.31 0.04 0.00 -1.11 0.00 0.00 56.01 55.24 1ni1 n LEU 296 Cb 0.00 0.00 0.13 0.00 0.53 0.00 0.00 43.42 44.08 1ni1 n LEU 296 CO 0.00 0.00 0.80 0.78 -1.11 0.00 0.00 177.39 177.86 1ni1 h ASN 297 N 0.00 -0.42 -0.53 1.96 4.21 -1.52 2.78 115.58 122.05 1ni1 h ASN 297 Ca 0.00 0.20 0.15 0.00 1.21 0.00 0.00 56.30 57.86 1ni1 h ASN 297 Cb 0.00 0.36 -0.02 0.00 -1.12 0.00 0.00 38.32 37.54 1ni1 h ASN 297 CO 0.00 -0.19 0.76 -0.61 -1.29 0.00 0.00 177.43 176.10 1ni1 h GLN 298 N 0.08 0.00 0.00 0.81 5.75 0.14 2.52 115.11 124.40 1ni1 h GLN 298 Ca 0.39 0.00 -0.23 0.00 -0.15 0.00 0.00 58.65 58.66 1ni1 h GLN 298 Cb 0.66 0.00 -0.03 0.00 1.07 0.00 0.00 27.48 29.18 1ni1 h GLN 298 CO -0.67 0.00 -1.58 1.28 -2.65 0.00 0.00 178.83 175.21 1ni1 n LEU 299 N -3.30 1.91 -0.51 -2.39 4.32 0.86 -4.01 117.00 113.88 1ni1 n LEU 299 Ca 0.11 0.40 0.42 0.00 -0.02 0.00 0.00 56.01 56.92 1ni1 n LEU 299 Cb 0.95 -0.84 0.72 0.00 -1.62 0.00 0.00 43.42 42.63 1ni1 n LEU 299 CO 0.21 0.15 1.34 -0.07 -1.22 0.00 0.00 177.39 177.79 1ni1 h LEU 300 N -1.00 0.13 -1.29 2.23 4.07 0.48 2.19 115.31 122.12 1ni1 h LEU 300 Ca -0.35 0.07 0.00 0.00 0.08 0.00 0.00 57.88 57.68 1ni1 h LEU 300 Cb 1.23 0.06 0.00 0.00 1.08 0.00 0.00 40.66 43.03 1ni1 h LEU 300 CO -0.21 -0.08 0.00 0.47 -1.08 0.00 0.00 178.44 177.54 1ni1 n ASP 301 N -4.35 0.73 0.00 -0.43 9.92 0.81 -1.05 116.55 122.18 1ni1 n ASP 301 Ca 0.37 -0.92 0.00 0.00 -0.53 0.00 0.00 54.79 53.71 1ni1 n ASP 301 Cb 1.57 -0.23 0.00 0.00 -0.64 0.00 0.00 41.12 41.82 1ni1 n ASP 301 CO 0.00 0.00 0.00 -0.11 0.13 0.00 0.00 177.20 177.22 1ni1 n LEU 302 N 0.42 0.00 0.00 0.64 7.94 0.74 -4.81 117.00 121.93 1ni1 n LEU 302 Ca 0.00 -0.02 0.00 0.00 -1.11 0.00 0.00 56.01 54.88 1ni1 n LEU 302 Cb 0.15 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.10 1ni1 n LEU 302 CO 0.00 0.00 0.19 0.00 -1.11 0.00 0.00 177.39 176.47 1ni1 n GLN 303 N -0.20 0.00 0.02 1.96 1.13 -0.21 0.11 117.38 120.19 1ni1 n GLN 303 Ca 0.00 0.38 -0.01 0.00 -1.94 0.00 0.00 57.00 55.43 1ni1 n GLN 303 Cb 0.00 -0.61 -0.00 0.00 0.11 0.00 0.00 30.24 29.74 1ni1 n GLN 303 CO 0.00 0.00 0.00 -1.00 -1.44 0.00 0.00 177.06 174.62 1ni1 h PRO 304 N 0.00 -0.04 0.00 -1.09 0.13 -1.91 -3.22 132.00 125.86 1ni1 h PRO 304 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 1ni1 h PRO 304 Cb 0.00 0.01 0.00 0.00 0.13 0.00 0.00 31.00 31.14 1ni1 h PRO 304 CO 0.00 -0.03 0.00 0.43 -0.23 0.00 0.00 178.00 178.17 1ni1 n SER 305 N -2.14 0.00 -4.02 1.44 7.64 -0.52 -3.84 113.62 112.17 1ni1 n SER 305 Ca -0.01 0.25 -0.31 0.00 1.01 0.00 0.00 58.87 59.82 1ni1 n SER 305 Cb 0.02 -0.01 -0.15 0.00 -1.01 0.00 0.00 64.21 63.06 1ni1 n SER 305 CO 0.00 0.00 0.00 -1.00 -3.01 0.00 0.00 175.04 171.03 1ni1 s HIS 306 N -1.09 3.76 0.29 1.43 3.76 0.31 -5.06 115.29 118.69 1ni1 s HIS 306 Ca 0.00 -2.98 0.10 0.00 -0.15 0.00 0.00 55.06 52.02 1ni1 s HIS 306 Cb 0.00 -2.94 -0.05 0.00 1.11 0.00 0.00 32.58 30.70 1ni1 s HIS 306 CO 0.00 -0.95 -0.02 0.45 -0.85 0.00 0.00 174.74 173.38 1ni1 s SER 307 N 0.94 4.33 0.00 1.40 0.15 -1.22 -4.26 113.70 115.04 1ni1 s SER 307 Ca 0.11 -0.79 0.00 0.00 0.70 0.00 0.00 55.95 55.97 1ni1 s SER 307 Cb -0.19 -0.68 0.00 0.00 -1.71 0.00 0.00 66.02 63.44 1ni1 s SER 307 CO -0.08 -0.08 0.00 -1.54 1.20 0.00 0.00 173.24 172.75 1ni1 n SER 308 N -0.89 0.00 0.32 5.45 3.41 -1.26 -4.86 113.62 115.79 1ni1 n SER 308 Ca -0.05 0.00 0.21 0.00 -0.26 0.00 0.00 58.87 58.77 1ni1 n SER 308 Cb 0.60 0.00 1.11 0.00 -0.26 0.00 0.00 64.21 65.66 1ni1 n SER 308 CO 0.00 0.00 0.00 -0.65 -0.16 0.00 0.00 175.04 174.23 1ni1 h PRO 309 N 0.00 0.00 0.21 4.33 0.11 -1.93 -2.04 132.00 132.68 1ni1 h PRO 309 Ca 0.00 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.10 1ni1 h PRO 309 Cb 0.00 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.11 1ni1 h PRO 309 CO 0.00 0.00 -0.10 1.88 -0.21 0.00 0.00 178.00 179.57 1ni1 h TYR 310 N 0.00 -0.26 0.59 0.65 0.99 -1.93 0.12 116.97 117.13 1ni1 h TYR 310 Ca -0.00 -0.01 -0.02 0.00 2.00 0.00 0.00 58.73 60.70 1ni1 h TYR 310 Cb 0.09 0.09 -0.01 0.00 1.00 0.00 0.00 36.73 37.90 1ni1 h TYR 310 CO 0.00 -0.03 -0.43 1.25 -0.00 0.00 0.00 178.16 178.95 1ni1 h LEU 311 N -0.46 -1.13 -0.91 3.88 5.85 -1.71 0.18 115.31 121.01 1ni1 h LEU 311 Ca -0.03 0.07 0.16 0.00 0.84 0.00 0.00 57.88 58.92 1ni1 h LEU 311 Cb 0.35 0.35 -0.10 0.00 0.37 0.00 0.00 40.66 41.63 1ni1 h LEU 311 CO 0.05 -0.63 0.51 0.16 -0.34 0.00 0.00 178.44 178.19 1ni1 h ILE 312 N -0.98 0.73 -0.22 4.05 3.07 -1.54 0.15 117.51 122.77 1ni1 h ILE 312 Ca -0.08 -0.24 -0.07 0.00 1.55 0.00 0.00 64.86 66.02 1ni1 h ILE 312 Cb 0.81 -0.02 -0.01 0.00 -0.27 0.00 0.00 36.82 37.32 1ni1 h ILE 312 CO 0.04 0.13 -0.18 0.00 -1.05 0.00 0.00 178.15 177.09 1ni1 h ALA 313 N 1.59 1.30 0.26 0.16 0.00 -0.43 -0.83 119.26 121.30 1ni1 h ALA 313 Ca 0.51 -0.28 -0.01 0.00 0.00 0.00 0.00 54.91 55.13 1ni1 h ALA 313 Cb 0.73 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.41 1ni1 h ALA 313 CO -0.37 0.47 -0.12 0.35 0.00 0.00 0.00 179.25 179.58 1ni1 h PHE 314 N 0.35 -0.32 -0.98 0.00 3.57 0.20 0.10 116.94 119.86 1ni1 h PHE 314 Ca 0.06 -0.01 0.15 0.00 3.53 0.00 0.00 57.97 61.71 1ni1 h PHE 314 Cb 0.51 0.11 -0.09 0.00 2.79 0.00 0.00 35.95 39.27 1ni1 h PHE 314 CO 0.01 -0.10 0.62 -0.07 -2.23 0.00 0.00 178.31 176.54 1ni1 h LEU 315 N -0.48 0.81 -0.65 0.59 3.38 -0.64 0.38 115.31 118.69 1ni1 h LEU 315 Ca -0.04 0.06 -0.13 0.00 0.09 0.00 0.00 57.88 57.87 1ni1 h LEU 315 Cb 0.36 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.01 1ni1 h LEU 315 CO 0.06 0.37 -0.38 0.58 0.09 0.00 0.00 178.44 179.16 1ni1 h VAL 316 N 0.83 1.29 -0.86 1.22 2.07 -0.81 -1.89 116.25 118.11 1ni1 h VAL 316 Ca 0.52 -1.54 -0.02 0.00 0.82 0.00 0.00 66.70 66.48 1ni1 h VAL 316 Cb 0.72 1.50 -0.04 0.00 -1.52 0.00 0.00 31.29 31.95 1ni1 h VAL 316 CO -0.29 0.49 0.47 0.44 0.02 0.00 0.00 177.57 178.69 1ni1 h ASP 317 N 0.52 1.07 -0.21 0.57 3.32 0.23 -2.69 116.42 119.23 1ni1 h ASP 317 Ca 0.05 -0.10 -0.07 0.00 0.02 0.00 0.00 57.03 56.92 1ni1 h ASP 317 Cb 0.89 -0.27 -0.00 0.00 0.22 0.00 0.00 39.33 40.16 1ni1 h ASP 317 CO 0.08 0.87 -0.16 0.40 -1.72 0.00 0.00 179.24 178.71 1ni1 h ILE 318 N 1.20 1.32 0.00 0.35 2.04 -0.67 -2.85 117.51 118.89 1ni1 h ILE 318 Ca 0.30 -1.28 0.00 0.00 1.00 0.00 0.00 64.86 64.88 1ni1 h ILE 318 Cb 0.03 1.69 0.00 0.00 -0.74 0.00 0.00 36.82 37.80 1ni1 h ILE 318 CO -0.05 0.39 0.00 1.88 0.00 0.00 0.00 178.15 180.37 1ni1 h TYR 319 N 0.17 0.00 0.00 1.37 0.99 -1.18 0.37 116.97 118.70 1ni1 h TYR 319 Ca 0.04 0.00 -0.02 0.00 2.00 0.00 0.00 58.73 60.75 1ni1 h TYR 319 Cb 0.68 0.00 -0.00 0.00 1.00 0.00 0.00 36.73 38.41 1ni1 h TYR 319 CO 0.07 0.00 -0.26 0.93 -0.00 0.00 0.00 178.16 178.91 1ni1 h GLU 320 N 0.00 0.00 0.00 4.88 5.08 -1.23 -3.16 114.58 120.15 1ni1 h GLU 320 Ca 0.00 0.00 -0.35 0.00 -1.00 0.00 0.00 59.36 58.01 1ni1 h GLU 320 Cb 0.03 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 29.22 1ni1 h GLU 320 CO 0.00 0.07 -2.34 -3.47 -1.00 0.00 0.00 179.01 172.26 1ni1 n ASP 321 N -3.04 1.93 0.00 1.42 2.03 0.07 -3.31 116.55 115.65 1ni1 n ASP 321 Ca 0.03 -0.11 0.00 0.00 0.52 0.00 0.00 54.79 55.23 1ni1 n ASP 321 Cb 0.56 -0.20 0.02 0.00 -0.72 0.00 0.00 41.12 40.78 1ni1 n ASP 321 CO 0.00 0.00 0.00 0.23 -1.92 0.00 0.00 177.20 175.51 1ni1 n MET 322 N -3.13 0.10 0.00 -0.67 2.81 0.11 -0.54 117.12 115.80 1ni1 n MET 322 Ca -0.41 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.48 1ni1 n MET 322 Cb 0.97 -1.13 0.00 0.00 -0.71 0.00 0.00 33.22 32.35 1ni1 n MET 322 CO 0.00 0.00 0.00 -0.11 1.51 0.00 0.00 175.97 177.37 1ni1 n LEU 323 N -0.63 0.00 0.19 4.03 7.94 -1.19 -4.24 117.00 123.09 1ni1 n LEU 323 Ca 0.01 0.00 -0.12 0.00 -1.11 0.00 0.00 56.01 54.78 1ni1 n LEU 323 Cb 0.00 0.00 -0.07 0.00 0.53 0.00 0.00 43.42 43.88 1ni1 n LEU 323 CO 0.00 0.00 0.43 -0.33 -1.11 0.00 0.00 177.39 176.38 1ni1 h GLU 324 N 0.00 -0.50 -5.95 1.96 5.08 -0.81 -3.32 114.58 111.05 1ni1 h GLU 324 Ca 0.00 0.03 -0.58 0.00 -1.00 0.00 0.00 59.36 57.82 1ni1 h GLU 324 Cb 0.22 0.11 -0.08 0.00 0.50 0.00 0.00 28.75 29.50 1ni1 h GLU 324 CO 0.00 -0.19 1.62 0.54 -1.00 0.00 0.00 179.01 179.98 1ni1 s ASN 325 N -4.99 6.37 0.00 1.42 2.20 -0.94 -4.82 114.94 114.19 1ni1 s ASN 325 Ca -0.13 -1.71 0.00 0.00 -0.94 0.00 0.00 52.86 50.09 1ni1 s ASN 325 Cb 0.01 -2.57 0.00 0.00 -2.00 0.00 0.00 41.25 36.69 1ni1 s ASN 325 CO 0.45 -1.64 0.00 0.00 -2.94 0.00 0.00 177.10 172.98 1ni1 n GLN 326 N 8.69 0.00 -0.25 3.55 3.00 -1.25 -4.88 117.38 126.24 1ni1 n GLN 326 Ca 0.40 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.39 1ni1 n GLN 326 Cb 0.49 0.00 0.00 0.00 0.00 0.00 0.00 30.24 30.73 1ni1 n GLN 326 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1ni1 s ASP 328 N -1.00 2.71 0.00 0.00 -1.08 -1.26 -4.64 116.67 111.39 1ni1 s ASP 328 Ca 0.00 -0.50 0.00 0.00 -0.52 0.00 0.00 52.55 51.53 1ni1 s ASP 328 Cb 0.00 -1.19 0.00 0.00 -1.46 0.00 0.00 42.92 40.27 1ni1 s ASP 328 CO 0.00 -0.06 0.00 0.59 0.52 0.00 0.00 175.17 176.22 1ni1 n ASN 329 N 4.77 0.00 -0.17 -0.34 3.02 -1.26 -5.03 115.26 116.25 1ni1 n ASN 329 Ca -0.17 0.00 -0.04 0.00 -0.03 0.00 0.00 54.58 54.34 1ni1 n ASN 329 Cb 0.50 0.00 -0.04 0.00 -0.61 0.00 0.00 39.78 39.63 1ni1 n ASN 329 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1ni1 n LYS 330 N -0.10 -0.18 -2.43 3.52 5.02 -1.26 -1.42 118.16 121.31 1ni1 n LYS 330 Ca 0.00 0.70 -0.38 0.00 -2.02 0.00 0.00 58.31 56.61 1ni1 n LYS 330 Cb 0.00 -1.03 -0.03 0.00 -0.02 0.00 0.00 35.03 33.95 1ni1 n LYS 330 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 1ni1 s GLU 331 N -4.81 3.26 0.00 1.97 0.41 -1.26 0.24 118.70 118.51 1ni1 s GLU 331 Ca -0.05 -0.69 0.00 0.00 -0.41 0.00 0.00 54.97 53.82 1ni1 s GLU 331 Cb 0.04 -5.02 0.00 0.00 -1.78 0.00 0.00 34.13 27.37 1ni1 s GLU 331 CO 0.25 -2.45 0.00 -0.25 -0.49 0.00 0.00 175.26 172.32 1ni1 n ASP 332 N 10.18 0.00 -0.08 -0.19 9.92 -0.51 -4.87 116.55 130.99 1ni1 n ASP 332 Ca 0.28 0.00 -0.08 0.00 -0.53 0.00 0.00 54.79 54.45 1ni1 n ASP 332 Cb 0.50 0.00 -0.03 0.00 -0.64 0.00 0.00 41.12 40.95 1ni1 n ASP 332 CO 0.00 0.00 0.00 -0.38 0.13 0.00 0.00 177.20 176.95 1ni1 n ILE 333 N 0.00 1.42 0.10 0.53 -0.00 0.27 -1.89 119.36 119.78 1ni1 n ILE 333 Ca 0.00 0.16 0.00 0.00 -0.00 0.00 0.00 62.75 62.91 1ni1 n ILE 333 Cb 0.00 -2.30 0.00 0.00 -0.00 0.00 0.00 39.64 37.34 1ni1 n ILE 333 CO 0.00 0.00 0.00 -0.11 -0.00 0.00 0.00 176.55 176.44 1ni1 n LEU 334 N -4.35 2.30 0.15 1.39 7.94 0.65 0.86 117.00 125.94 1ni1 n LEU 334 Ca -0.13 -1.07 0.00 0.00 -1.11 0.00 0.00 56.01 53.70 1ni1 n LEU 334 Cb 0.49 -0.45 0.00 0.00 0.53 0.00 0.00 43.42 43.98 1ni1 n LEU 334 CO 0.20 0.42 0.00 0.59 -1.11 0.00 0.00 177.39 177.48 1ni1 n ASN 335 N 1.28 -1.48 0.13 1.96 5.03 -1.26 -4.75 115.26 116.17 1ni1 n ASN 335 Ca 0.00 0.53 0.13 0.00 0.87 0.00 0.00 54.58 56.11 1ni1 n ASN 335 Cb 0.27 1.53 0.46 0.00 -1.02 0.00 0.00 39.78 41.02 1ni1 n ASN 335 CO 0.00 0.00 0.00 0.50 -1.83 0.00 0.00 177.26 175.93 1ni1 h LYS 336 N 0.00 0.00 0.15 3.52 1.63 -0.80 -0.63 116.57 120.44 1ni1 h LYS 336 Ca 0.00 0.00 -0.36 0.00 -0.85 0.00 0.00 60.65 59.44 1ni1 h LYS 336 Cb 0.00 0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 31.62 1ni1 h LYS 336 CO 0.00 0.00 -1.89 0.00 -3.45 0.00 0.00 179.45 174.11 1ni1 h ALA 337 N 2.34 0.32 -0.01 5.00 0.00 0.26 -3.14 119.26 124.04 1ni1 h ALA 337 Ca 0.00 -1.29 -0.12 0.00 0.00 0.00 0.00 54.91 53.50 1ni1 h ALA 337 Cb 0.54 0.60 -0.02 0.00 0.00 0.00 0.00 17.79 18.91 1ni1 h ALA 337 CO 0.00 1.20 -0.57 -0.07 0.00 0.00 0.00 179.25 179.81 1ni1 h LEU 338 N 0.09 0.03 0.30 0.00 3.38 -1.65 -2.78 115.31 114.67 1ni1 h LEU 338 Ca -0.39 -0.01 -0.00 0.00 0.09 0.00 0.00 57.88 57.56 1ni1 h LEU 338 Cb 2.06 -0.01 -0.03 0.00 0.09 0.00 0.00 40.66 42.78 1ni1 h LEU 338 CO 0.13 0.59 -0.42 -0.08 0.09 0.00 0.00 178.44 178.74 1ni1 h GLU 339 N 0.02 -0.72 -0.46 1.13 4.81 -1.19 -3.02 114.58 115.14 1ni1 h GLU 339 Ca -0.01 0.05 0.09 0.00 -0.13 0.00 0.00 59.36 59.36 1ni1 h GLU 339 Cb 1.01 0.16 -0.08 0.00 0.63 0.00 0.00 28.75 30.48 1ni1 h GLU 339 CO 0.08 -0.48 -0.01 -0.07 -0.73 0.00 0.00 179.01 177.79 1ni1 h LEU 340 N -0.75 -0.22 -1.74 1.64 3.38 -1.47 0.81 115.31 116.94 1ni1 h LEU 340 Ca -0.03 0.11 0.07 0.00 0.09 0.00 0.00 57.88 58.11 1ni1 h LEU 340 Cb 0.68 0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.63 1ni1 h LEU 340 CO -0.12 -0.07 0.50 0.00 0.09 0.00 0.00 178.44 178.83 1ni1 h GLU 342 N 0.00 0.23 0.00 0.00 4.39 -0.73 0.44 114.58 118.90 1ni1 h GLU 342 Ca 0.11 -0.39 -0.02 0.00 0.34 0.00 0.00 59.36 59.40 1ni1 h GLU 342 Cb 1.10 0.15 -0.00 0.00 -0.10 0.00 0.00 28.75 29.90 1ni1 h GLU 342 CO -0.00 1.19 -0.07 0.82 -1.16 0.00 0.00 179.01 179.78 1ni1 h ILE 343 N -0.32 0.26 0.00 3.13 5.03 -0.09 0.58 117.51 126.10 1ni1 h ILE 343 Ca -0.31 -0.53 -0.07 0.00 -0.12 0.00 0.00 64.86 63.82 1ni1 h ILE 343 Cb 1.75 1.41 -0.01 0.00 -3.03 0.00 0.00 36.82 36.95 1ni1 h ILE 343 CO 0.05 0.07 -0.52 -0.07 -0.68 0.00 0.00 178.15 177.00 1ni1 h LEU 344 N 0.00 0.00 -0.74 1.44 3.38 -0.39 1.94 115.31 120.94 1ni1 h LEU 344 Ca -0.00 -0.39 0.00 0.00 0.09 0.00 0.00 57.88 57.58 1ni1 h LEU 344 Cb 0.41 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.16 1ni1 h LEU 344 CO 0.01 0.99 0.00 0.00 0.09 0.00 0.00 178.44 179.53 1ni1 h ALA 345 N -0.61 1.00 0.00 1.53 0.00 -0.01 1.21 119.26 122.38 1ni1 h ALA 345 Ca -0.11 0.00 -0.21 0.00 0.00 0.00 0.00 54.91 54.59 1ni1 h ALA 345 Cb 0.77 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.52 1ni1 h ALA 345 CO -0.07 0.00 -1.99 1.63 0.00 0.00 0.00 179.25 178.83 1ni1 n LYS 346 N -2.61 1.19 0.00 0.00 5.02 0.20 -4.55 118.16 117.41 1ni1 n LYS 346 Ca 0.02 -0.05 0.00 0.00 -2.02 0.00 0.00 58.31 56.27 1ni1 n LYS 346 Cb 0.32 -1.40 0.00 0.00 -0.02 0.00 0.00 35.03 33.93 1ni1 n LYS 346 CO 0.00 0.00 0.00 -0.85 -0.52 0.00 0.00 177.40 176.03 1ni1 n GLU 347 N -2.44 0.00 -0.03 1.97 0.28 -1.01 -4.89 120.64 114.52 1ni1 n GLU 347 Ca -0.19 0.00 -0.14 0.00 -0.16 0.00 0.00 57.16 56.67 1ni1 n GLU 347 Cb 0.85 -0.22 -0.09 0.00 1.43 0.00 0.00 31.44 33.41 1ni1 n GLU 347 CO 0.00 0.00 0.00 0.87 -0.16 0.00 0.00 177.13 177.84 1ni1 h LYS 348 N 0.00 0.19 -1.17 3.44 1.79 0.31 -3.38 116.57 117.75 1ni1 h LYS 348 Ca 0.00 -0.12 -0.44 0.00 -2.18 0.00 0.00 60.65 57.91 1ni1 h LYS 348 Cb 0.00 0.02 -0.41 0.00 -1.58 0.00 0.00 32.23 30.26 1ni1 h LYS 348 CO 0.00 0.72 -1.04 -3.47 -1.08 0.00 0.00 179.45 174.57 1ni1 n ASP 349 N -4.64 2.52 0.31 0.86 2.03 0.40 -4.86 116.55 113.18 1ni1 n ASP 349 Ca -0.08 -3.04 0.18 0.00 0.52 0.00 0.00 54.79 52.37 1ni1 n ASP 349 Cb 0.37 -0.51 1.04 0.00 -0.72 0.00 0.00 41.12 41.30 1ni1 n ASP 349 CO 0.00 0.00 0.00 0.71 -1.92 0.00 0.00 177.20 175.99 1ni1 h THR 350 N 2.87 0.30 -0.64 5.18 1.35 -1.38 -2.95 112.91 117.65 1ni1 h THR 350 Ca 0.03 0.00 0.10 0.00 -0.55 0.00 0.00 66.41 66.00 1ni1 h THR 350 Cb 1.10 0.99 -0.04 0.00 -1.73 0.00 0.00 68.15 68.46 1ni1 h THR 350 CO 0.61 0.00 0.43 -0.29 -0.25 0.00 0.00 175.52 176.02 1ni1 h ILE 351 N 0.00 0.89 -2.13 6.82 6.09 -1.92 0.52 117.51 127.79 1ni1 h ILE 351 Ca 0.00 -0.15 -0.69 0.00 -1.37 0.00 0.00 64.86 62.65 1ni1 h ILE 351 Cb 0.04 0.41 -0.35 0.00 0.47 0.00 0.00 36.82 37.39 1ni1 h ILE 351 CO -0.00 0.08 0.15 -2.11 -3.07 0.00 0.00 178.15 173.20 1ni1 n ARG 352 N -4.47 3.97 -0.12 2.19 1.85 -1.11 -4.75 116.66 114.22 1ni1 n ARG 352 Ca 0.11 -4.57 -0.12 0.00 -1.00 0.00 0.00 57.85 52.26 1ni1 n ARG 352 Cb 0.39 -2.32 -0.03 0.00 -1.05 0.00 0.00 32.46 29.45 1ni1 n ARG 352 CO 0.00 0.00 0.00 1.57 -0.01 0.00 0.00 177.63 179.19 1ni1 h LYS 353 N 3.35 0.78 0.00 2.89 2.10 -1.04 -2.46 116.57 122.18 1ni1 h LYS 353 Ca 0.35 -0.37 0.00 0.00 -2.00 0.00 0.00 60.65 58.64 1ni1 h LYS 353 Cb 0.44 -0.01 0.00 0.00 -0.90 0.00 0.00 32.23 31.76 1ni1 h LYS 353 CO 1.03 0.99 0.00 0.93 -2.00 0.00 0.00 179.45 180.40 1ni1 h GLU 354 N 0.56 0.00 0.02 0.07 4.39 -1.85 -1.00 114.58 116.76 1ni1 h GLU 354 Ca 0.07 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.77 1ni1 h GLU 354 Cb 0.79 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.44 1ni1 h GLU 354 CO 0.06 0.00 -0.01 -0.92 -1.16 0.00 0.00 179.01 176.98 1ni1 h TYR 355 N 0.00 -0.02 -0.62 4.33 3.20 -1.88 -2.94 116.97 119.04 1ni1 h TYR 355 Ca 0.00 -0.00 0.12 0.00 3.14 0.00 0.00 58.73 61.99 1ni1 h TYR 355 Cb 0.41 0.01 -0.09 0.00 1.54 0.00 0.00 36.73 38.59 1ni1 h TYR 355 CO 0.00 -0.01 0.10 -1.49 -1.64 0.00 0.00 178.16 175.11 1ni1 h TRP 356 N -0.70 0.14 -0.29 -3.82 -0.00 -1.42 0.63 115.95 110.49 1ni1 h TRP 356 Ca -0.00 0.04 0.00 0.00 -0.00 0.00 0.00 58.89 58.93 1ni1 h TRP 356 Cb 0.02 0.04 -0.01 0.00 -0.00 0.00 0.00 29.16 29.20 1ni1 h TRP 356 CO 0.00 -0.08 0.18 0.00 -0.00 0.00 0.00 178.44 178.54 1ni1 h ARG 357 N 0.21 0.38 -0.44 0.49 3.08 -1.34 -1.40 114.38 115.37 1ni1 h ARG 357 Ca 0.33 -0.03 -0.07 0.00 0.07 0.00 0.00 59.98 60.28 1ni1 h ARG 357 Cb 0.52 -0.09 -0.02 0.00 0.08 0.00 0.00 29.97 30.47 1ni1 h ARG 357 CO -0.45 0.26 -0.01 -0.92 -1.07 0.00 0.00 179.97 177.78 1ni1 h TYR 358 N 0.39 0.85 0.11 3.04 3.20 0.37 -2.14 116.97 122.80 1ni1 h TYR 358 Ca 0.11 -0.15 -0.00 0.00 3.14 0.00 0.00 58.73 61.82 1ni1 h TYR 358 Cb -0.03 -0.22 -0.01 0.00 1.54 0.00 0.00 36.73 38.01 1ni1 h TYR 358 CO 0.00 0.84 -0.13 0.82 -1.64 0.00 0.00 178.16 178.05 1ni1 h ILE 359 N 0.62 0.00 0.00 1.81 1.08 0.09 0.11 117.51 121.21 1ni1 h ILE 359 Ca 0.12 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.59 1ni1 h ILE 359 Cb 0.51 0.00 0.00 0.00 -3.07 0.00 0.00 36.82 34.26 1ni1 h ILE 359 CO 0.02 0.00 0.39 1.23 -0.69 0.00 0.00 178.15 179.10 1ni1 h GLY 360 N -0.24 0.00 1.15 5.37 0.00 -1.50 1.40 103.07 109.24 1ni1 h GLY 360 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.32 1ni1 h GLY 360 CO -0.03 0.00 -0.74 -0.09 0.00 0.00 0.00 176.54 175.68 1ni1 h ARG 361 N 0.00 0.00 0.00 4.80 2.43 -0.46 -3.32 114.38 117.83 1ni1 h ARG 361 Ca 0.00 0.00 -0.05 0.00 -0.81 0.00 0.00 59.98 59.12 1ni1 h ARG 361 Cb 0.77 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.32 1ni1 h ARG 361 CO 0.00 0.00 -0.30 0.77 -1.51 0.00 0.00 179.97 178.93 1ni1 h SER 362 N 0.00 0.00 -0.95 -3.80 0.02 0.44 -3.35 113.55 105.91 1ni1 h SER 362 Ca 0.00 -0.58 0.24 0.00 -0.84 0.00 0.00 61.79 60.61 1ni1 h SER 362 Cb 0.86 0.00 -0.13 0.00 0.14 0.00 0.00 62.40 63.27 1ni1 h SER 362 CO 0.00 0.96 0.49 -0.07 -1.14 0.00 0.00 176.83 177.08 1ni1 h LEU 363 N -1.00 0.49 -0.02 5.07 4.07 -1.58 -1.70 115.31 120.64 1ni1 h LEU 363 Ca -0.07 0.15 0.02 0.00 0.08 0.00 0.00 57.88 58.06 1ni1 h LEU 363 Cb 0.79 0.10 -0.05 0.00 1.08 0.00 0.00 40.66 42.58 1ni1 h LEU 363 CO -0.04 0.02 -0.46 1.56 -1.08 0.00 0.00 178.44 178.44 1ni1 h GLN 364 N 0.46 -0.54 0.41 1.13 7.50 -1.69 -3.10 115.11 119.28 1ni1 h GLN 364 Ca 0.62 0.04 -0.02 0.00 0.50 0.00 0.00 58.65 59.78 1ni1 h GLN 364 Cb 1.20 0.12 0.00 0.00 0.05 0.00 0.00 27.48 28.86 1ni1 h GLN 364 CO -0.52 -0.36 -0.20 0.77 -1.50 0.00 0.00 178.83 177.02 1ni1 h SER 365 N -0.56 -0.46 -0.02 1.46 0.02 -1.48 -3.52 113.55 108.98 1ni1 h SER 365 Ca 0.01 0.02 0.00 0.00 -0.84 0.00 0.00 61.79 60.98 1ni1 h SER 365 Cb 0.61 0.12 0.00 0.00 0.14 0.00 0.00 62.40 63.27 1ni1 h SER 365 CO -0.31 -0.32 0.00 2.29 -1.14 0.00 0.00 176.83 177.34