#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sa5 s LEU 56 N 0.00 2.14 0.34 5.98 2.96 -1.26 -5.12 118.68 123.72 1sa5 s LEU 56 Ca 0.00 -1.71 -0.23 0.00 -0.22 0.00 0.00 54.13 51.96 1sa5 s LEU 56 Cb 0.00 -0.83 -0.16 0.00 0.50 0.00 0.00 46.19 45.70 1sa5 s LEU 56 CO 0.00 -0.40 0.26 -0.24 -1.32 0.00 0.00 176.35 174.65 1sa5 n SER 57 N 4.74 -2.19 0.21 3.68 2.88 -1.26 -4.82 113.62 116.86 1sa5 n SER 57 Ca -0.01 0.92 0.15 0.00 -1.33 0.00 0.00 58.87 58.60 1sa5 n SER 57 Cb 0.41 -0.92 0.68 0.00 -0.75 0.00 0.00 64.21 63.63 1sa5 n SER 57 CO 0.00 0.00 0.00 0.25 -1.23 0.00 0.00 175.04 174.06 1sa5 h LEU 58 N 0.58 0.00 -2.46 2.46 7.12 -1.97 -2.01 115.31 119.03 1sa5 h LEU 58 Ca -0.34 0.00 0.00 0.00 0.13 0.00 0.00 57.88 57.67 1sa5 h LEU 58 Cb 1.44 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 41.57 1sa5 h LEU 58 CO 0.50 0.00 0.00 0.47 -0.13 0.00 0.00 178.44 179.28 1sa5 n ASP 59 N -2.57 2.40 -4.77 1.25 10.43 -1.26 -4.99 116.55 117.04 1sa5 n ASP 59 Ca -0.00 -1.81 -0.41 0.00 2.57 0.00 0.00 54.79 55.14 1sa5 n ASP 59 Cb 0.17 -0.12 -0.02 0.00 1.84 0.00 0.00 41.12 42.99 1sa5 n ASP 59 CO 0.00 0.00 0.00 -0.55 -1.07 0.00 0.00 177.20 175.58 1sa5 s SER 60 N -0.91 6.68 0.53 -2.24 0.15 -0.76 -4.90 113.70 112.25 1sa5 s SER 60 Ca 0.15 2.76 0.25 0.00 0.70 0.00 0.00 55.95 59.81 1sa5 s SER 60 Cb 0.08 -2.65 1.46 0.00 -1.71 0.00 0.00 66.02 63.20 1sa5 s SER 60 CO 0.11 -0.61 2.12 1.55 1.20 0.00 0.00 173.24 177.61 1sa5 h PRO 61 N 3.37 0.00 -0.64 5.44 0.13 -1.95 -2.03 132.00 136.31 1sa5 h PRO 61 Ca -0.49 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 1sa5 h PRO 61 Cb 1.23 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.36 1sa5 h PRO 61 CO 0.66 0.09 0.00 0.25 -0.23 0.00 0.00 178.00 178.76 1sa5 n THR 62 N -3.90 2.06 -1.94 1.56 -2.24 -1.26 -4.97 114.28 103.59 1sa5 n THR 62 Ca -0.02 -1.12 -0.41 0.00 -2.27 0.00 0.00 64.05 60.22 1sa5 n THR 62 Cb 0.18 -0.17 -0.01 0.00 -2.10 0.00 0.00 70.33 68.22 1sa5 n THR 62 CO 0.00 0.00 0.00 -0.47 -0.57 0.00 0.00 175.07 174.03 1sa5 s TYR 63 N -2.24 2.85 -0.02 4.78 5.04 -0.77 -5.02 117.35 121.97 1sa5 s TYR 63 Ca 0.46 1.16 0.07 0.00 -2.44 0.00 0.00 57.07 56.32 1sa5 s TYR 63 Cb 0.33 -3.88 -0.02 0.00 0.35 0.00 0.00 41.96 38.74 1sa5 s TYR 63 CO 0.16 -2.65 -0.24 0.08 -1.34 0.00 0.00 175.55 171.56 1sa5 s VAL 64 N -0.73 1.90 0.77 3.14 1.01 -1.26 -5.05 120.40 120.18 1sa5 s VAL 64 Ca 0.54 -1.03 -0.14 0.00 0.00 0.00 0.00 61.98 61.35 1sa5 s VAL 64 Cb -0.44 -1.58 0.06 0.00 0.00 0.00 0.00 36.38 34.42 1sa5 s VAL 64 CO 0.54 0.54 1.23 -0.76 0.00 0.00 0.00 175.10 176.64 1sa5 s LEU 65 N -0.55 3.24 0.40 3.92 1.43 -1.26 -4.90 118.68 120.96 1sa5 s LEU 65 Ca 0.09 2.43 0.13 0.00 -1.03 0.00 0.00 54.13 55.75 1sa5 s LEU 65 Cb -0.09 -4.60 0.81 0.00 0.03 0.00 0.00 46.19 42.34 1sa5 s LEU 65 CO -0.01 -2.52 1.88 1.88 0.23 0.00 0.00 176.35 177.81 1sa5 h TYR 66 N -0.56 0.00 0.00 0.29 -1.99 -1.95 -2.10 116.97 110.66 1sa5 h TYR 66 Ca -0.47 -0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.26 1sa5 h TYR 66 Cb 1.31 -0.00 0.00 0.00 2.00 0.00 0.00 36.73 40.03 1sa5 h TYR 66 CO 0.45 0.31 0.00 2.89 -0.00 0.00 0.00 178.16 181.82 1sa5 n ARG 67 N -4.17 0.13 -0.54 4.88 1.85 -1.26 -2.11 116.66 115.44 1sa5 n ARG 67 Ca -0.02 0.39 0.08 0.00 -1.00 0.00 0.00 57.85 57.30 1sa5 n ARG 67 Cb 0.35 -1.76 0.30 0.00 -1.05 0.00 0.00 32.46 30.30 1sa5 n ARG 67 CO 0.00 0.00 0.00 -0.25 -0.01 0.00 0.00 177.63 177.37 1sa5 n ASP 68 N -2.01 4.35 -4.48 2.89 8.00 -0.79 -4.95 116.55 119.55 1sa5 n ASP 68 Ca 0.02 -2.71 -0.35 0.00 0.71 0.00 0.00 54.79 52.46 1sa5 n ASP 68 Cb 0.19 -0.54 -0.12 0.00 -0.02 0.00 0.00 41.12 40.64 1sa5 n ASP 68 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 1sa5 s ARG 69 N -2.31 3.69 0.16 -1.24 0.52 -0.90 -4.93 118.95 113.95 1sa5 s ARG 69 Ca 0.44 -0.48 -0.22 0.00 -0.52 0.00 0.00 55.73 54.95 1sa5 s ARG 69 Cb 0.32 -3.14 0.05 0.00 0.52 0.00 0.00 34.95 32.70 1sa5 s ARG 69 CO 0.15 0.04 1.63 0.00 0.02 0.00 0.00 175.30 177.13 1sa5 h ALA 70 N 7.44 -0.08 0.00 2.13 0.00 -1.92 -1.26 119.26 125.56 1sa5 h ALA 70 Ca -0.36 0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.64 1sa5 h ALA 70 Cb 1.18 0.52 0.00 0.00 0.00 0.00 0.00 17.79 19.49 1sa5 h ALA 70 CO 0.62 -0.65 0.00 -0.85 0.00 0.00 0.00 179.25 178.37 1sa5 n GLU 71 N -5.38 0.02 -0.03 0.00 0.00 -1.26 -1.29 120.64 112.70 1sa5 n GLU 71 Ca 0.00 0.22 0.01 0.00 0.00 0.00 0.00 57.16 57.39 1sa5 n GLU 71 Cb 0.30 -1.50 0.03 0.00 0.00 0.00 0.00 31.44 30.27 1sa5 n GLU 71 CO 0.00 0.00 0.00 0.91 0.00 0.00 0.00 177.13 178.04 1sa5 n TRP 72 N -1.22 0.09 0.20 -1.84 7.02 -0.48 -4.74 117.44 116.47 1sa5 n TRP 72 Ca 0.01 -0.48 0.12 0.00 -1.02 0.00 0.00 57.50 56.13 1sa5 n TRP 72 Cb 0.01 -0.04 0.70 0.00 -2.42 0.00 0.00 31.31 29.56 1sa5 n TRP 72 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 1sa5 h ALA 73 N 0.39 2.03 0.00 6.99 0.00 -1.14 -2.47 119.26 125.07 1sa5 h ALA 73 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1sa5 h ALA 73 Cb 0.53 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.33 1sa5 h ALA 73 CO 0.00 -0.17 0.00 0.38 0.00 0.00 0.00 179.25 179.46 1sa5 h ASP 74 N 0.00 0.00 -3.11 0.00 3.04 -1.85 -3.45 116.42 111.05 1sa5 h ASP 74 Ca 0.06 0.00 -0.60 0.00 -3.24 0.00 0.00 57.03 53.25 1sa5 h ASP 74 Cb 0.27 0.00 -0.07 0.00 -1.04 0.00 0.00 39.33 38.49 1sa5 h ASP 74 CO -0.00 0.00 -0.23 -0.63 -2.04 0.00 0.00 179.24 176.34 1sa5 s ILE 75 N -3.50 5.14 -0.25 4.15 -1.09 -0.93 -5.07 121.20 119.65 1sa5 s ILE 75 Ca 0.03 0.77 -0.13 0.00 -2.23 0.00 0.00 60.65 59.10 1sa5 s ILE 75 Cb 0.08 -3.70 -0.04 0.00 -1.58 0.00 0.00 42.46 37.21 1sa5 s ILE 75 CO 0.57 0.49 0.28 -1.81 -1.23 0.00 0.00 174.94 173.25 1sa5 s ASP 76 N -0.42 6.21 0.61 3.58 1.11 -1.26 -5.05 116.67 121.44 1sa5 s ASP 76 Ca 0.22 0.23 -0.19 0.00 0.18 0.00 0.00 52.55 53.00 1sa5 s ASP 76 Cb -0.15 -2.17 -0.03 0.00 1.07 0.00 0.00 42.92 41.64 1sa5 s ASP 76 CO 0.10 -0.07 1.24 -2.84 1.18 0.00 0.00 175.17 174.78 1sa5 s PRO 77 N 1.57 2.86 -0.45 8.23 0.02 -1.26 -4.78 135.00 141.19 1sa5 s PRO 77 Ca 0.12 1.91 -0.08 0.00 0.02 0.00 0.00 61.00 62.97 1sa5 s PRO 77 Cb -0.15 -1.91 0.11 0.00 0.02 0.00 0.00 34.50 32.57 1sa5 s PRO 77 CO 0.08 -1.32 0.30 0.08 -0.33 0.00 0.00 177.00 175.82 1sa5 s VAL 78 N -1.53 4.02 0.91 3.83 1.01 -0.14 -4.96 120.40 123.54 1sa5 s VAL 78 Ca 0.79 -1.77 -0.10 0.00 0.00 0.00 0.00 61.98 60.90 1sa5 s VAL 78 Cb -0.33 -3.63 0.14 0.00 0.00 0.00 0.00 36.38 32.56 1sa5 s VAL 78 CO 0.35 -0.71 1.15 -2.16 0.00 0.00 0.00 175.10 173.73 1sa5 s PRO 79 N 1.33 1.06 0.05 2.72 0.04 -1.26 -4.60 135.00 134.34 1sa5 s PRO 79 Ca 0.06 1.54 -0.31 0.00 0.04 0.00 0.00 61.00 62.33 1sa5 s PRO 79 Cb -0.25 -1.73 -0.05 0.00 0.04 0.00 0.00 34.50 32.50 1sa5 s PRO 79 CO -0.01 -2.60 1.18 -1.14 0.04 0.00 0.00 177.00 174.47 1sa5 s GLN 80 N -4.66 4.44 -1.42 4.56 0.74 -1.26 -4.95 119.66 117.11 1sa5 s GLN 80 Ca 0.67 1.73 -0.14 0.00 0.05 0.00 0.00 55.36 57.67 1sa5 s GLN 80 Cb -0.23 -3.36 0.00 0.00 1.10 0.00 0.00 33.01 30.53 1sa5 s GLN 80 CO 0.58 -0.24 2.32 -1.71 -0.55 0.00 0.00 175.29 175.68 1sa5 n ASN 81 N 3.95 4.52 0.00 6.67 5.15 -1.26 -4.69 115.26 129.60 1sa5 n ASN 81 Ca 0.09 -2.78 0.15 0.00 -0.60 0.00 0.00 54.58 51.44 1sa5 n ASN 81 Cb 0.47 -1.59 0.79 0.00 -0.53 0.00 0.00 39.78 38.91 1sa5 n ASN 81 CO 0.00 0.00 0.00 0.47 1.40 0.00 0.00 177.26 179.13 1sa5 n ASP 82 N 5.80 0.00 0.00 1.20 9.92 -1.26 -5.03 116.55 127.17 1sa5 n ASP 82 Ca 0.56 -0.27 0.00 0.00 -0.53 0.00 0.00 54.79 54.55 1sa5 n ASP 82 Cb 0.36 -0.24 0.00 0.00 -0.64 0.00 0.00 41.12 40.60 1sa5 n ASP 82 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1sa5 n GLY 83 N 1.24 -2.58 0.15 0.44 0.00 -1.26 -4.27 105.19 98.91 1sa5 n GLY 83 Ca 0.16 -1.70 -0.13 0.00 0.00 0.00 0.00 46.02 44.34 1sa5 n GLY 83 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1sa5 h PRO 84 N 0.00 -0.26 -3.06 1.61 0.11 -2.02 -3.40 132.00 124.98 1sa5 h PRO 84 Ca 0.00 0.02 -0.61 0.00 0.11 0.00 0.00 66.00 65.52 1sa5 h PRO 84 Cb 0.00 0.06 -0.40 0.00 0.11 0.00 0.00 31.00 30.77 1sa5 h PRO 84 CO 0.00 0.00 -0.74 -1.54 -0.21 0.00 0.00 178.00 175.52 1sa5 s SER 85 N -5.16 3.70 0.77 -2.05 1.04 -1.26 -5.13 113.70 105.61 1sa5 s SER 85 Ca -0.15 -2.53 -0.15 0.00 0.48 0.00 0.00 55.95 53.61 1sa5 s SER 85 Cb 0.03 -1.03 0.06 0.00 0.10 0.00 0.00 66.02 65.18 1sa5 s SER 85 CO 0.61 -0.28 1.20 -2.65 0.98 0.00 0.00 173.24 173.10 1sa5 n PRO 86 N 3.68 0.40 -4.29 4.02 -0.02 -1.26 -5.08 135.00 132.45 1sa5 n PRO 86 Ca 0.08 0.21 -0.19 0.00 -2.02 0.00 0.00 63.50 61.58 1sa5 n PRO 86 Cb 0.35 -2.44 -0.11 0.00 -0.02 0.00 0.00 33.50 31.29 1sa5 n PRO 86 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 1sa5 s VAL 87 N -1.94 1.53 -1.52 -1.45 -7.23 -1.26 -4.74 120.40 103.78 1sa5 s VAL 87 Ca 0.75 -1.91 -0.13 0.00 -1.81 0.00 0.00 61.98 58.89 1sa5 s VAL 87 Cb -0.31 -1.75 0.13 0.00 0.56 0.00 0.00 36.38 35.00 1sa5 s VAL 87 CO 0.49 -0.46 0.32 1.33 -0.31 0.00 0.00 175.10 176.47 1sa5 n VAL 88 N 0.21 -0.32 -2.68 1.32 0.24 -1.26 -4.82 118.33 111.01 1sa5 n VAL 88 Ca -0.13 -0.16 -0.43 0.00 -2.04 0.00 0.00 64.34 61.59 1sa5 n VAL 88 Cb 0.58 -0.59 -0.02 0.00 -1.47 0.00 0.00 33.84 32.33 1sa5 n VAL 88 CO 0.00 0.00 0.00 -1.58 -2.14 0.00 0.00 176.83 173.11 1sa5 s GLN 89 N -6.54 4.36 -0.12 7.34 0.74 -1.26 -5.02 119.66 119.16 1sa5 s GLN 89 Ca 0.45 1.37 -0.20 0.00 0.05 0.00 0.00 55.36 57.04 1sa5 s GLN 89 Cb -0.26 -3.58 -0.04 0.00 1.10 0.00 0.00 33.01 30.23 1sa5 s GLN 89 CO 0.88 -0.43 0.56 0.42 -0.55 0.00 0.00 175.29 176.17 1sa5 s ILE 90 N 2.44 5.12 -1.20 -2.34 1.01 -1.26 -4.99 121.20 119.99 1sa5 s ILE 90 Ca 0.47 1.10 -0.18 0.00 0.00 0.00 0.00 60.65 62.04 1sa5 s ILE 90 Cb -0.17 -3.89 0.10 0.00 0.01 0.00 0.00 42.46 38.51 1sa5 s ILE 90 CO 0.14 0.26 1.56 -0.63 0.00 0.00 0.00 174.94 176.27 1sa5 s ILE 91 N 0.94 4.37 0.87 2.92 -1.09 -1.26 -4.98 121.20 122.98 1sa5 s ILE 91 Ca 0.29 -1.88 -0.12 0.00 -2.23 0.00 0.00 60.65 56.71 1sa5 s ILE 91 Cb -0.16 -5.07 0.12 0.00 -1.58 0.00 0.00 42.46 35.77 1sa5 s ILE 91 CO 0.12 -1.87 1.17 -1.22 -1.23 0.00 0.00 174.94 171.91 1sa5 n TYR 92 N 7.61 1.02 -1.83 3.97 4.02 -1.26 -5.01 117.16 125.68 1sa5 n TYR 92 Ca 0.41 0.40 -0.30 0.00 -0.01 0.00 0.00 57.90 58.41 1sa5 n TYR 92 Cb 0.46 -2.05 0.07 0.00 -0.02 0.00 0.00 39.34 37.81 1sa5 n TYR 92 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 176.86 174.31 1sa5 s SER 93 N -2.40 4.94 0.19 7.72 1.04 -1.26 -4.86 113.70 119.07 1sa5 s SER 93 Ca 0.70 1.04 -0.12 0.00 0.48 0.00 0.00 55.95 58.05 1sa5 s SER 93 Cb -0.26 -1.72 0.11 0.00 0.10 0.00 0.00 66.02 64.25 1sa5 s SER 93 CO 0.55 -1.65 1.83 -0.08 0.98 0.00 0.00 173.24 174.86 1sa5 h GLU 94 N -0.88 0.87 -0.39 4.02 4.81 -2.00 -2.49 114.58 118.53 1sa5 h GLU 94 Ca -0.46 -0.08 -0.00 0.00 -0.13 0.00 0.00 59.36 58.69 1sa5 h GLU 94 Cb 1.28 -0.18 -0.02 0.00 0.63 0.00 0.00 28.75 30.46 1sa5 h GLU 94 CO 0.64 0.62 0.23 0.87 -0.73 0.00 0.00 179.01 180.64 1sa5 h LYS 95 N 0.87 0.53 0.50 1.92 1.57 -1.99 -1.63 116.57 118.34 1sa5 h LYS 95 Ca 0.23 -0.05 -0.02 0.00 -1.87 0.00 0.00 60.65 58.94 1sa5 h LYS 95 Cb -0.03 -0.11 0.00 0.00 0.08 0.00 0.00 32.23 32.18 1sa5 h LYS 95 CO -0.04 0.40 -0.24 0.35 -0.57 0.00 0.00 179.45 179.35 1sa5 h PHE 96 N 0.51 -0.62 -0.65 -1.35 3.57 -1.90 -1.75 116.94 114.74 1sa5 h PHE 96 Ca 0.14 -0.01 0.01 0.00 3.53 0.00 0.00 57.97 61.63 1sa5 h PHE 96 Cb 0.01 0.21 -0.03 0.00 2.79 0.00 0.00 35.95 38.92 1sa5 h PHE 96 CO -0.03 -0.37 0.43 -0.09 -2.23 0.00 0.00 178.31 176.02 1sa5 h ARG 97 N -0.72 0.85 -0.02 1.11 2.43 -1.45 -1.47 114.38 115.11 1sa5 h ARG 97 Ca -0.07 -0.05 -0.00 0.00 -0.81 0.00 0.00 59.98 59.05 1sa5 h ARG 97 Cb 0.54 -0.19 -0.00 0.00 -0.42 0.00 0.00 29.97 29.90 1sa5 h ARG 97 CO 0.11 0.56 0.01 0.22 -1.51 0.00 0.00 179.97 179.36 1sa5 h ASP 98 N 0.87 0.03 -0.28 -3.80 3.58 -1.14 -0.01 116.42 115.67 1sa5 h ASP 98 Ca 0.24 -0.19 -0.01 0.00 0.42 0.00 0.00 57.03 57.49 1sa5 h ASP 98 Cb -0.09 -0.01 -0.01 0.00 1.72 0.00 0.00 39.33 40.94 1sa5 h ASP 98 CO -0.05 0.21 0.12 0.58 -2.88 0.00 0.00 179.24 177.22 1sa5 h VAL 99 N -0.16 1.16 0.00 2.25 2.07 -0.99 -2.76 116.25 117.82 1sa5 h VAL 99 Ca 0.01 -0.47 -0.03 0.00 0.82 0.00 0.00 66.70 67.03 1sa5 h VAL 99 Cb 0.19 0.96 -0.00 0.00 -1.52 0.00 0.00 31.29 30.92 1sa5 h VAL 99 CO -0.00 0.17 -0.12 1.88 0.02 0.00 0.00 177.57 179.51 1sa5 h TYR 100 N 0.31 0.00 -0.19 1.57 -1.99 -1.26 0.96 116.97 116.38 1sa5 h TYR 100 Ca 0.09 0.00 -0.14 0.00 2.00 0.00 0.00 58.73 60.68 1sa5 h TYR 100 Cb 0.15 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 38.87 1sa5 h TYR 100 CO -0.01 0.12 -0.47 -0.44 -0.00 0.00 0.00 178.16 177.36 1sa5 h ASP 101 N 0.00 0.54 0.88 3.88 5.19 -0.79 -0.48 116.42 125.64 1sa5 h ASP 101 Ca -0.00 -0.26 -0.23 0.00 -0.62 0.00 0.00 57.03 55.92 1sa5 h ASP 101 Cb 0.67 -0.15 -0.03 0.00 0.18 0.00 0.00 39.33 39.99 1sa5 h ASP 101 CO 0.02 0.93 -1.15 1.88 -3.12 0.00 0.00 179.24 177.79 1sa5 h TYR 102 N 0.40 0.03 -0.34 4.55 -1.99 -1.17 -0.32 116.97 118.13 1sa5 h TYR 102 Ca 0.02 -0.02 -0.03 0.00 2.00 0.00 0.00 58.73 60.71 1sa5 h TYR 102 Cb 0.98 -0.00 -0.01 0.00 2.00 0.00 0.00 36.73 39.69 1sa5 h TYR 102 CO 0.04 1.02 0.10 0.35 -0.00 0.00 0.00 178.16 179.66 1sa5 h PHE 103 N 0.00 0.55 -0.64 4.88 3.57 -0.65 -1.43 116.94 123.23 1sa5 h PHE 103 Ca -0.07 -0.06 0.12 0.00 3.53 0.00 0.00 57.97 61.49 1sa5 h PHE 103 Cb 1.83 -0.16 -0.04 0.00 2.79 0.00 0.00 35.95 40.37 1sa5 h PHE 103 CO 0.00 0.55 0.43 0.00 -2.23 0.00 0.00 178.31 177.06 1sa5 h ARG 104 N 0.39 0.36 0.09 1.11 3.08 -1.11 0.26 114.38 118.56 1sa5 h ARG 104 Ca 0.11 -0.02 -0.00 0.00 0.07 0.00 0.00 59.98 60.13 1sa5 h ARG 104 Cb 0.26 -0.08 0.00 0.00 0.08 0.00 0.00 29.97 30.23 1sa5 h ARG 104 CO -0.00 0.24 -0.04 0.00 -1.07 0.00 0.00 179.97 179.09 1sa5 h ALA 105 N 1.69 -0.12 -0.70 0.04 0.00 -1.21 -1.60 119.26 117.36 1sa5 h ALA 105 Ca 0.30 -0.26 0.01 0.00 0.00 0.00 0.00 54.91 54.96 1sa5 h ALA 105 Cb 0.68 0.05 -0.04 0.00 0.00 0.00 0.00 17.79 18.48 1sa5 h ALA 105 CO -0.08 -0.27 0.46 -0.39 0.00 0.00 0.00 179.25 178.96 1sa5 h VAL 106 N -0.70 1.16 -0.26 0.00 -1.51 -0.76 -1.33 116.25 112.85 1sa5 h VAL 106 Ca -0.01 -0.32 0.00 0.00 -1.23 0.00 0.00 66.70 65.14 1sa5 h VAL 106 Cb 0.55 0.15 -0.01 0.00 -2.13 0.00 0.00 31.29 29.85 1sa5 h VAL 106 CO 0.02 0.17 0.17 0.25 -1.23 0.00 0.00 177.57 176.95 1sa5 h LEU 107 N 0.93 0.29 -0.39 4.19 5.85 -1.01 0.32 115.31 125.49 1sa5 h LEU 107 Ca 0.26 -0.01 0.03 0.00 0.84 0.00 0.00 57.88 59.01 1sa5 h LEU 107 Cb -0.09 -0.07 -0.03 0.00 0.37 0.00 0.00 40.66 40.84 1sa5 h LEU 107 CO -0.06 0.21 0.18 -0.61 -0.34 0.00 0.00 178.44 177.82 1sa5 h GLN 108 N 0.35 0.36 -0.00 1.25 4.15 -0.82 -0.39 115.11 120.01 1sa5 h GLN 108 Ca 0.10 -0.02 0.00 0.00 0.77 0.00 0.00 58.65 59.49 1sa5 h GLN 108 Cb -0.04 -0.08 0.00 0.00 0.21 0.00 0.00 27.48 27.57 1sa5 h GLN 108 CO -0.02 0.24 -0.03 0.54 -1.93 0.00 0.00 178.83 177.63 1sa5 n ARG 109 N -4.95 0.77 -4.06 1.69 1.74 -0.54 -4.90 116.66 106.41 1sa5 n ARG 109 Ca 0.02 -0.12 -0.28 0.00 -0.77 0.00 0.00 57.85 56.70 1sa5 n ARG 109 Cb 0.11 -1.50 -0.04 0.00 -1.02 0.00 0.00 32.46 30.01 1sa5 n ARG 109 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 1sa5 n ASP 110 N -1.01 -0.15 -4.61 0.55 2.03 0.10 -4.85 116.55 108.62 1sa5 n ASP 110 Ca 0.18 -1.09 -0.43 0.00 0.52 0.00 0.00 54.79 53.97 1sa5 n ASP 110 Cb 0.21 -2.60 -0.02 0.00 -0.72 0.00 0.00 41.12 37.99 1sa5 n ASP 110 CO 0.00 0.00 0.00 -0.70 -1.92 0.00 0.00 177.20 174.58 1sa5 s GLU 111 N -6.80 3.80 -1.13 -0.67 2.12 -0.40 -4.95 118.70 110.66 1sa5 s GLU 111 Ca 0.03 0.65 -0.10 0.00 0.36 0.00 0.00 54.97 55.91 1sa5 s GLU 111 Cb -0.01 -3.86 0.26 0.00 0.26 0.00 0.00 34.13 30.78 1sa5 s GLU 111 CO 0.92 -1.21 1.17 1.03 -0.54 0.00 0.00 175.26 176.63 1sa5 s ARG 112 N 4.11 4.19 0.26 4.30 0.52 -1.26 -4.80 118.95 126.26 1sa5 s ARG 112 Ca 0.45 -3.10 0.07 0.00 -0.52 0.00 0.00 55.73 52.63 1sa5 s ARG 112 Cb -0.09 -4.65 -0.05 0.00 0.52 0.00 0.00 34.95 30.67 1sa5 s ARG 112 CO 0.26 -1.34 -0.10 -1.54 0.02 0.00 0.00 175.30 172.60 1sa5 s SER 113 N 1.60 2.77 0.40 0.23 1.04 -1.26 -4.90 113.70 113.58 1sa5 s SER 113 Ca 0.33 -1.12 0.07 0.00 0.48 0.00 0.00 55.95 55.70 1sa5 s SER 113 Cb -0.09 -0.17 0.81 0.00 0.10 0.00 0.00 66.02 66.68 1sa5 s SER 113 CO -0.06 -0.26 2.03 -0.08 0.98 0.00 0.00 173.24 175.85 1sa5 h GLU 114 N 2.37 0.55 -0.00 4.02 4.57 -1.99 -0.35 114.58 123.74 1sa5 h GLU 114 Ca -0.39 -0.04 -0.17 0.00 -1.18 0.00 0.00 59.36 57.57 1sa5 h GLU 114 Cb 1.23 -0.12 -0.02 0.00 -0.16 0.00 0.00 28.75 29.69 1sa5 h GLU 114 CO 0.65 0.39 -0.79 0.07 -1.18 0.00 0.00 179.01 178.15 1sa5 h ARG 115 N 0.56 0.09 -0.40 1.92 0.11 -1.97 -2.14 114.38 112.54 1sa5 h ARG 115 Ca 0.15 -0.09 -0.11 0.00 0.10 0.00 0.00 59.98 60.03 1sa5 h ARG 115 Cb -0.01 0.02 -0.01 0.00 1.11 0.00 0.00 29.97 31.08 1sa5 h ARG 115 CO -0.03 0.84 -0.16 0.00 0.10 0.00 0.00 179.97 180.72 1sa5 h ALA 116 N 1.13 0.56 -0.12 0.08 0.00 -1.58 -1.36 119.26 117.97 1sa5 h ALA 116 Ca -0.02 -0.35 0.03 0.00 0.00 0.00 0.00 54.91 54.57 1sa5 h ALA 116 Cb 1.39 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 19.01 1sa5 h ALA 116 CO 0.11 0.49 -0.09 0.35 0.00 0.00 0.00 179.25 180.11 1sa5 h PHE 117 N 0.63 -0.22 -0.36 0.00 3.57 -0.96 -1.18 116.94 118.42 1sa5 h PHE 117 Ca 0.09 0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.59 1sa5 h PHE 117 Cb 0.71 0.12 -0.02 0.00 2.79 0.00 0.00 35.95 39.55 1sa5 h PHE 117 CO 0.05 -0.14 0.14 0.87 -2.23 0.00 0.00 178.31 177.01 1sa5 h LYS 118 N -0.10 0.51 -0.67 1.11 1.57 -1.25 -2.40 116.57 115.33 1sa5 h LYS 118 Ca 0.08 -0.06 -0.05 0.00 -1.87 0.00 0.00 60.65 58.75 1sa5 h LYS 118 Cb 0.22 -0.10 -0.03 0.00 0.08 0.00 0.00 32.23 32.40 1sa5 h LYS 118 CO -0.18 0.42 0.24 1.25 -0.57 0.00 0.00 179.45 180.61 1sa5 h LEU 119 N 0.51 0.93 -1.62 2.94 5.85 -0.09 -2.58 115.31 121.25 1sa5 h LEU 119 Ca 0.13 -0.15 -0.03 0.00 0.84 0.00 0.00 57.88 58.67 1sa5 h LEU 119 Cb 0.11 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 40.89 1sa5 h LEU 119 CO -0.01 0.85 -0.08 0.71 -0.34 0.00 0.00 178.44 179.56 1sa5 h THR 120 N 0.98 1.12 -0.82 1.05 1.35 -0.79 -1.23 112.91 114.56 1sa5 h THR 120 Ca 0.22 -0.52 -0.01 0.00 -0.55 0.00 0.00 66.41 65.56 1sa5 h THR 120 Cb 0.24 1.14 -0.04 0.00 -1.73 0.00 0.00 68.15 67.76 1sa5 h THR 120 CO -0.01 0.16 0.47 -0.09 -0.25 0.00 0.00 175.52 175.80 1sa5 h ARG 121 N 0.14 1.13 -0.18 4.72 2.43 -1.44 0.84 114.38 122.02 1sa5 h ARG 121 Ca 0.03 -0.12 -0.19 0.00 -0.81 0.00 0.00 59.98 58.89 1sa5 h ARG 121 Cb 0.24 -0.23 -0.00 0.00 -0.42 0.00 0.00 29.97 29.56 1sa5 h ARG 121 CO 0.01 0.82 -0.65 -0.44 -1.51 0.00 0.00 179.97 178.21 1sa5 h ASP 122 N 1.14 0.76 -0.37 -3.80 3.32 -1.34 -1.60 116.42 114.52 1sa5 h ASP 122 Ca 0.29 -0.45 -0.09 0.00 0.02 0.00 0.00 57.03 56.81 1sa5 h ASP 122 Cb -0.00 -0.22 -0.02 0.00 0.22 0.00 0.00 39.33 39.31 1sa5 h ASP 122 CO -0.05 1.21 -0.08 0.00 -1.72 0.00 0.00 179.24 178.60 1sa5 h ALA 123 N 0.79 1.01 -0.40 3.45 0.00 -0.93 -1.75 119.26 121.43 1sa5 h ALA 123 Ca -0.01 -0.30 -0.13 0.00 0.00 0.00 0.00 54.91 54.46 1sa5 h ALA 123 Cb 1.23 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.83 1sa5 h ALA 123 CO 0.13 0.60 -0.27 0.82 0.00 0.00 0.00 179.25 180.52 1sa5 h ILE 124 N 0.73 1.28 0.00 0.00 2.04 -0.75 -2.20 117.51 118.60 1sa5 h ILE 124 Ca 0.13 -1.43 -0.08 0.00 1.00 0.00 0.00 64.86 64.48 1sa5 h ILE 124 Cb 0.55 1.32 -0.01 0.00 -0.74 0.00 0.00 36.82 37.94 1sa5 h ILE 124 CO 0.03 0.48 -0.38 -0.08 0.00 0.00 0.00 178.15 178.21 1sa5 h GLU 125 N 0.70 0.00 -0.03 2.37 4.81 -1.07 0.52 114.58 121.89 1sa5 h GLU 125 Ca 0.08 0.00 -0.17 0.00 -0.13 0.00 0.00 59.36 59.14 1sa5 h GLU 125 Cb 0.85 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.22 1sa5 h GLU 125 CO 0.07 0.38 -0.76 -0.07 -0.73 0.00 0.00 179.01 177.90 1sa5 h LEU 126 N 0.00 0.24 -5.74 1.64 3.38 -1.15 -3.41 115.31 110.28 1sa5 h LEU 126 Ca -0.00 -0.17 -0.16 0.00 0.09 0.00 0.00 57.88 57.64 1sa5 h LEU 126 Cb 0.69 -0.07 -0.21 0.00 0.09 0.00 0.00 40.66 41.16 1sa5 h LEU 126 CO 0.05 0.91 -0.53 0.21 0.09 0.00 0.00 178.44 179.17 1sa5 s ASN 127 N -6.91 -0.97 0.08 -0.43 2.47 -0.84 -5.01 114.94 103.33 1sa5 s ASN 127 Ca -0.03 -1.34 0.05 0.00 0.42 0.00 0.00 52.86 51.96 1sa5 s ASN 127 Cb 0.11 1.62 0.27 0.00 -1.45 0.00 0.00 41.25 41.80 1sa5 s ASN 127 CO 0.81 -0.14 1.15 0.00 -3.72 0.00 0.00 177.10 175.20 1sa5 n ALA 128 N 3.81 1.00 1.47 1.71 0.00 0.18 -1.52 120.51 127.17 1sa5 n ALA 128 Ca 0.14 0.05 0.14 0.00 0.00 0.00 0.00 53.44 53.77 1sa5 n ALA 128 Cb 0.54 -1.07 0.51 0.00 0.00 0.00 0.00 19.45 19.44 1sa5 n ALA 128 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1sa5 n ALA 129 N -1.56 2.57 -2.54 0.00 0.00 -1.26 -4.67 120.51 113.05 1sa5 n ALA 129 Ca -0.00 -0.45 -0.41 0.00 0.00 0.00 0.00 53.44 52.58 1sa5 n ALA 129 Cb 0.01 -1.16 -0.03 0.00 0.00 0.00 0.00 19.45 18.27 1sa5 n ALA 129 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 1sa5 s ASN 130 N -1.95 6.37 0.50 0.00 3.84 -0.57 -4.82 114.94 118.30 1sa5 s ASN 130 Ca 0.37 -1.15 0.17 0.00 0.21 0.00 0.00 52.86 52.47 1sa5 s ASN 130 Cb 0.21 -2.57 1.22 0.00 -0.55 0.00 0.00 41.25 39.56 1sa5 s ASN 130 CO 0.33 -1.63 2.09 0.10 -2.79 0.00 0.00 177.10 175.19 1sa5 h TYR 131 N 9.94 0.00 -0.62 0.43 -0.00 -1.89 -2.12 116.97 122.71 1sa5 h TYR 131 Ca 0.07 0.00 -0.04 0.00 0.00 0.00 0.00 58.73 58.76 1sa5 h TYR 131 Cb 1.02 0.00 -0.03 0.00 0.00 0.00 0.00 36.73 37.72 1sa5 h TYR 131 CO 1.24 0.08 0.23 1.15 -0.00 0.00 0.00 178.16 180.86 1sa5 h THR 132 N 0.00 1.22 -0.18 -0.90 2.02 -2.00 -0.96 112.91 112.12 1sa5 h THR 132 Ca -0.00 -0.72 -0.18 0.00 0.77 0.00 0.00 66.41 66.28 1sa5 h THR 132 Cb 0.15 0.50 -0.00 0.00 -1.74 0.00 0.00 68.15 67.06 1sa5 h THR 132 CO 0.01 0.28 -0.62 0.58 0.37 0.00 0.00 175.52 176.14 1sa5 h VAL 133 N 0.90 1.32 -0.64 3.16 2.07 -1.80 -2.47 116.25 118.78 1sa5 h VAL 133 Ca 0.21 -1.88 -0.06 0.00 0.82 0.00 0.00 66.70 65.79 1sa5 h VAL 133 Cb 0.20 1.85 -0.03 0.00 -1.52 0.00 0.00 31.29 31.78 1sa5 h VAL 133 CO -0.02 0.59 0.16 -0.50 0.02 0.00 0.00 177.57 177.82 1sa5 h TRP 134 N 0.46 1.05 -0.58 1.57 4.06 -1.18 -0.32 115.95 121.01 1sa5 h TRP 134 Ca -0.01 -0.11 -0.05 0.00 2.06 0.00 0.00 58.89 60.79 1sa5 h TRP 134 Cb 1.20 -0.30 -0.02 0.00 -1.00 0.00 0.00 29.16 29.04 1sa5 h TRP 134 CO 0.06 0.86 0.18 1.25 -3.56 0.00 0.00 178.44 177.23 1sa5 h HIS 135 N 0.96 0.93 -0.33 0.49 2.76 -1.10 -1.15 115.15 117.70 1sa5 h HIS 135 Ca 0.21 -0.09 -0.10 0.00 -2.20 0.00 0.00 60.37 58.18 1sa5 h HIS 135 Cb 0.33 -0.27 -0.01 0.00 1.55 0.00 0.00 27.41 29.01 1sa5 h HIS 135 CO 0.02 0.77 -0.22 0.35 -1.30 0.00 0.00 177.93 177.56 1sa5 h PHE 136 N 0.81 0.72 -0.67 5.26 3.57 -1.12 -1.81 116.94 123.70 1sa5 h PHE 136 Ca 0.19 -0.15 -0.06 0.00 3.53 0.00 0.00 57.97 61.48 1sa5 h PHE 136 Cb 0.28 -0.18 -0.03 0.00 2.79 0.00 0.00 35.95 38.81 1sa5 h PHE 136 CO 0.02 0.80 0.19 -0.09 -2.23 0.00 0.00 178.31 177.00 1sa5 h ARG 137 N 0.57 1.04 -0.12 1.11 2.43 -0.66 -0.96 114.38 117.79 1sa5 h ARG 137 Ca 0.08 -0.22 -0.11 0.00 -0.81 0.00 0.00 59.98 58.92 1sa5 h ARG 137 Cb 0.68 -0.15 -0.01 0.00 -0.42 0.00 0.00 29.97 30.06 1sa5 h ARG 137 CO 0.05 0.91 -0.40 0.00 -1.51 0.00 0.00 179.97 179.02 1sa5 h ARG 138 N 1.00 0.27 -0.45 0.20 3.08 -0.87 0.36 114.38 117.97 1sa5 h ARG 138 Ca 0.22 -0.13 -0.03 0.00 0.07 0.00 0.00 59.98 60.11 1sa5 h ARG 138 Cb 0.31 -0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.34 1sa5 h ARG 138 CO -0.00 0.63 0.17 0.28 -1.07 0.00 0.00 179.97 179.98 1sa5 h VAL 139 N 0.23 1.21 -0.31 2.04 2.07 -0.66 -2.71 116.25 118.11 1sa5 h VAL 139 Ca 0.02 -0.64 -0.11 0.00 0.82 0.00 0.00 66.70 66.79 1sa5 h VAL 139 Cb 0.80 0.79 -0.01 0.00 -1.52 0.00 0.00 31.29 31.35 1sa5 h VAL 139 CO 0.06 0.24 -0.24 -0.07 0.02 0.00 0.00 177.57 177.58 1sa5 h LEU 140 N 0.58 0.62 -0.91 2.57 3.38 -0.74 0.11 115.31 120.91 1sa5 h LEU 140 Ca 0.15 -0.22 0.06 0.00 0.09 0.00 0.00 57.88 57.96 1sa5 h LEU 140 Cb 0.20 -0.17 -0.06 0.00 0.09 0.00 0.00 40.66 40.72 1sa5 h LEU 140 CO -0.01 0.85 0.58 -0.07 0.09 0.00 0.00 178.44 179.88 1sa5 h LEU 141 N 0.54 0.93 0.01 1.67 3.38 -0.70 0.53 115.31 121.66 1sa5 h LEU 141 Ca 0.08 0.01 -0.00 0.00 0.09 0.00 0.00 57.88 58.06 1sa5 h LEU 141 Cb 0.71 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 41.27 1sa5 h LEU 141 CO 0.05 0.60 -0.00 0.03 0.09 0.00 0.00 178.44 179.21 1sa5 h ARG 142 N 1.07 -0.01 -0.52 1.13 2.47 -1.21 -0.13 114.38 117.18 1sa5 h ARG 142 Ca 0.39 0.00 0.10 0.00 -1.26 0.00 0.00 59.98 59.21 1sa5 h ARG 142 Cb 0.14 0.00 -0.09 0.00 -1.65 0.00 0.00 29.97 28.37 1sa5 h ARG 142 CO -0.16 0.65 -0.01 0.77 0.56 0.00 0.00 179.97 181.77 1sa5 h SER 143 N -0.99 -0.25 0.15 7.04 0.02 -0.92 -0.37 113.55 118.24 1sa5 h SER 143 Ca -0.00 0.13 0.00 0.00 -0.84 0.00 0.00 61.79 61.08 1sa5 h SER 143 Cb 0.66 0.23 0.00 0.00 0.14 0.00 0.00 62.40 63.43 1sa5 h SER 143 CO 0.00 -0.09 -0.02 0.18 -1.14 0.00 0.00 176.83 175.77 1sa5 n LEU 144 N -5.25 0.26 -3.62 5.07 4.77 0.17 -4.93 117.00 113.48 1sa5 n LEU 144 Ca 0.06 -0.01 -0.21 0.00 -0.03 0.00 0.00 56.01 55.82 1sa5 n LEU 144 Cb 0.28 -0.08 0.05 0.00 -2.33 0.00 0.00 43.42 41.34 1sa5 n LEU 144 CO 0.14 0.05 -0.03 0.00 -1.33 0.00 0.00 177.39 176.22 1sa5 n GLN 145 N -0.89 -4.79 -2.56 3.23 1.13 -0.15 -4.93 117.38 108.41 1sa5 n GLN 145 Ca 0.20 0.67 -0.37 0.00 -1.94 0.00 0.00 57.00 55.56 1sa5 n GLN 145 Cb 0.19 -5.28 -0.04 0.00 0.11 0.00 0.00 30.24 25.21 1sa5 n GLN 145 CO 0.00 0.00 0.00 0.15 -1.44 0.00 0.00 177.06 175.77 1sa5 s LYS 146 N -5.75 4.29 -0.21 -1.09 -0.14 -0.09 -4.95 119.74 111.80 1sa5 s LYS 146 Ca 0.06 1.53 -0.29 0.00 -1.36 0.00 0.00 55.97 55.92 1sa5 s LYS 146 Cb -0.02 -2.67 -0.04 0.00 -1.68 0.00 0.00 37.83 33.42 1sa5 s LYS 146 CO 0.79 -0.04 1.97 0.34 -0.76 0.00 0.00 175.35 177.66 1sa5 s ASP 147 N -1.47 5.87 0.54 2.83 -1.08 -1.26 -4.87 116.67 117.22 1sa5 s ASP 147 Ca 0.55 1.82 0.32 0.00 -0.52 0.00 0.00 52.55 54.72 1sa5 s ASP 147 Cb -0.23 -2.52 1.40 0.00 -1.46 0.00 0.00 42.92 40.10 1sa5 s ASP 147 CO 0.29 -1.64 2.00 -0.07 0.52 0.00 0.00 175.17 176.28 1sa5 h LEU 148 N 13.47 0.00 -0.41 -1.34 3.38 -1.96 -2.25 115.31 126.21 1sa5 h LEU 148 Ca -0.39 0.00 -0.18 0.00 0.09 0.00 0.00 57.88 57.40 1sa5 h LEU 148 Cb 1.21 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.95 1sa5 h LEU 148 CO 0.98 0.07 -0.77 1.56 0.09 0.00 0.00 178.44 180.37 1sa5 h GLN 149 N 0.00 0.27 -0.47 1.13 1.08 -1.98 0.20 115.11 115.35 1sa5 h GLN 149 Ca -0.00 -0.24 -0.12 0.00 -1.45 0.00 0.00 58.65 56.83 1sa5 h GLN 149 Cb 0.48 0.06 -0.01 0.00 -0.05 0.00 0.00 27.48 27.96 1sa5 h GLN 149 CO 0.01 0.91 -0.18 1.49 -0.95 0.00 0.00 178.83 180.11 1sa5 h GLU 150 N 0.18 0.93 -0.03 1.46 4.81 -1.85 0.04 114.58 120.11 1sa5 h GLU 150 Ca -0.03 -0.37 -0.10 0.00 -0.13 0.00 0.00 59.36 58.73 1sa5 h GLU 150 Cb 1.35 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 30.67 1sa5 h GLU 150 CO 0.12 1.03 -0.44 1.49 -0.73 0.00 0.00 179.01 180.48 1sa5 h GLU 151 N 0.81 0.06 -0.44 1.92 4.57 -1.13 -1.44 114.58 118.94 1sa5 h GLU 151 Ca 0.11 -0.03 -0.09 0.00 -1.18 0.00 0.00 59.36 58.17 1sa5 h GLU 151 Cb 0.74 -0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 29.31 1sa5 h GLU 151 CO 0.06 0.49 -0.09 0.52 -1.18 0.00 0.00 179.01 178.81 1sa5 h MET 152 N 0.05 0.84 -0.91 1.92 2.86 0.06 -0.95 114.93 118.80 1sa5 h MET 152 Ca 0.00 -0.31 0.05 0.00 -2.06 0.00 0.00 59.70 57.38 1sa5 h MET 152 Cb 0.80 -0.05 -0.06 0.00 0.06 0.00 0.00 31.60 32.35 1sa5 h MET 152 CO 0.06 0.94 0.58 -0.91 1.06 0.00 0.00 176.91 178.64 1sa5 h ASN 153 N 0.67 0.95 0.10 1.22 4.21 -0.37 -1.80 115.58 120.56 1sa5 h ASN 153 Ca 0.11 0.00 -0.00 0.00 1.21 0.00 0.00 56.30 57.62 1sa5 h ASN 153 Cb 0.62 -0.20 0.00 0.00 -1.12 0.00 0.00 38.32 37.62 1sa5 h ASN 153 CO 0.04 0.63 -0.05 0.22 -1.29 0.00 0.00 177.43 176.98 1sa5 h TYR 154 N 1.10 -0.12 0.00 1.19 3.20 -0.93 -3.01 116.97 118.40 1sa5 h TYR 154 Ca 0.37 -0.00 -0.05 0.00 3.14 0.00 0.00 58.73 62.19 1sa5 h TYR 154 Cb 0.07 0.04 -0.01 0.00 1.54 0.00 0.00 36.73 38.38 1sa5 h TYR 154 CO -0.02 0.13 -0.24 0.97 -1.64 0.00 0.00 178.16 177.35 1sa5 h ILE 155 N -0.36 1.13 0.00 1.81 6.09 -0.91 -1.49 117.51 123.78 1sa5 h ILE 155 Ca -0.01 -0.85 -0.11 0.00 -1.37 0.00 0.00 64.86 62.52 1sa5 h ILE 155 Cb 0.30 1.46 -0.02 0.00 0.47 0.00 0.00 36.82 39.04 1sa5 h ILE 155 CO 0.02 0.24 -0.54 0.16 -3.07 0.00 0.00 178.15 174.96 1sa5 h ILE 156 N 0.00 1.38 -0.13 2.19 3.07 -1.31 -1.43 117.51 121.27 1sa5 h ILE 156 Ca -0.00 -1.85 -0.05 0.00 1.55 0.00 0.00 64.86 64.51 1sa5 h ILE 156 Cb 0.44 2.00 -0.00 0.00 -0.27 0.00 0.00 36.82 38.99 1sa5 h ILE 156 CO 0.03 0.53 -0.10 0.00 -1.05 0.00 0.00 178.15 177.56 1sa5 h ALA 157 N 1.46 0.19 -0.46 0.16 0.00 -1.17 -1.81 119.26 117.63 1sa5 h ALA 157 Ca -0.01 -0.29 0.01 0.00 0.00 0.00 0.00 54.91 54.63 1sa5 h ALA 157 Cb 0.96 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.68 1sa5 h ALA 157 CO 0.07 0.02 0.29 0.82 0.00 0.00 0.00 179.25 180.45 1sa5 h ILE 158 N -0.07 1.07 -0.59 0.00 1.08 -1.19 -2.14 117.51 115.68 1sa5 h ILE 158 Ca 0.03 -0.20 -0.04 0.00 -0.39 0.00 0.00 64.86 64.26 1sa5 h ILE 158 Cb 0.60 0.44 -0.03 0.00 -3.07 0.00 0.00 36.82 34.77 1sa5 h ILE 158 CO 0.03 0.11 0.23 0.40 -0.69 0.00 0.00 178.15 178.22 1sa5 h ILE 159 N 0.58 1.23 -0.81 -0.67 2.04 -1.27 0.28 117.51 118.89 1sa5 h ILE 159 Ca 0.18 -0.73 0.09 0.00 1.00 0.00 0.00 64.86 65.40 1sa5 h ILE 159 Cb -0.02 0.60 -0.06 0.00 -0.74 0.00 0.00 36.82 36.61 1sa5 h ILE 159 CO -0.07 0.28 0.53 -0.33 0.00 0.00 0.00 178.15 178.57 1sa5 h GLU 160 N 0.82 0.76 0.06 2.37 4.39 -1.03 0.12 114.58 122.07 1sa5 h GLU 160 Ca 0.20 -0.05 -0.23 0.00 0.34 0.00 0.00 59.36 59.62 1sa5 h GLU 160 Cb 0.22 -0.17 0.02 0.00 -0.10 0.00 0.00 28.75 28.71 1sa5 h GLU 160 CO -0.01 0.51 -0.92 1.49 -1.16 0.00 0.00 179.01 178.91 1sa5 h GLU 161 N 0.79 0.52 -2.26 2.33 4.81 -0.69 -3.40 114.58 116.68 1sa5 h GLU 161 Ca 0.37 -0.64 -0.58 0.00 -0.13 0.00 0.00 59.36 58.38 1sa5 h GLU 161 Cb 0.40 0.20 -0.40 0.00 0.63 0.00 0.00 28.75 29.58 1sa5 h GLU 161 CO -0.14 1.25 -0.91 1.04 -0.73 0.00 0.00 179.01 179.52 1sa5 n GLN 162 N -4.00 1.08 0.26 1.92 6.02 0.92 -4.98 117.38 118.60 1sa5 n GLN 162 Ca -0.12 -3.65 0.17 0.00 -0.01 0.00 0.00 57.00 53.39 1sa5 n GLN 162 Cb 0.83 -1.66 0.72 0.00 1.02 0.00 0.00 30.24 31.15 1sa5 n GLN 162 CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 177.06 175.05 1sa5 h PRO 163 N 4.61 0.00 -1.22 -1.09 0.13 -1.20 -3.28 132.00 129.96 1sa5 h PRO 163 Ca 0.16 0.00 -0.69 0.00 -0.87 0.00 0.00 66.00 64.59 1sa5 h PRO 163 Cb 0.83 0.00 -0.29 0.00 0.13 0.00 0.00 31.00 31.67 1sa5 h PRO 163 CO 0.54 0.00 0.85 1.63 -0.23 0.00 0.00 178.00 180.80 1sa5 n LYS 164 N -2.93 2.74 -5.25 0.86 5.02 -1.26 -4.84 118.16 112.50 1sa5 n LYS 164 Ca 0.00 -3.38 -0.31 0.00 -2.02 0.00 0.00 58.31 52.60 1sa5 n LYS 164 Cb 0.26 -2.28 -0.16 0.00 -0.02 0.00 0.00 35.03 32.82 1sa5 n LYS 164 CO 0.00 0.00 0.00 1.21 -0.52 0.00 0.00 177.40 178.09 1sa5 s ASN 165 N -1.74 2.99 0.05 4.39 3.84 -1.24 -5.05 114.94 118.20 1sa5 s ASN 165 Ca 0.61 -0.49 -0.20 0.00 0.21 0.00 0.00 52.86 52.99 1sa5 s ASN 165 Cb 0.49 -0.70 -0.12 0.00 -0.55 0.00 0.00 41.25 40.37 1sa5 s ASN 165 CO -0.10 0.26 1.43 1.88 -2.79 0.00 0.00 177.10 177.77 1sa5 h TYR 166 N 5.93 0.37 -0.68 0.43 -1.99 -1.93 -3.33 116.97 115.78 1sa5 h TYR 166 Ca -0.35 -0.09 0.04 0.00 2.00 0.00 0.00 58.73 60.34 1sa5 h TYR 166 Cb 1.16 -0.09 -0.04 0.00 2.00 0.00 0.00 36.73 39.76 1sa5 h TYR 166 CO 0.42 0.62 0.45 1.96 -0.00 0.00 0.00 178.16 181.60 1sa5 h GLN 167 N 0.02 0.76 -0.27 4.88 1.08 -1.94 -2.32 115.11 117.33 1sa5 h GLN 167 Ca 0.04 -0.05 -0.14 0.00 -1.45 0.00 0.00 58.65 57.05 1sa5 h GLN 167 Cb 0.50 -0.17 -0.01 0.00 -0.05 0.00 0.00 27.48 27.75 1sa5 h GLN 167 CO 0.02 0.51 -0.41 -0.39 -0.95 0.00 0.00 178.83 177.61 1sa5 h VAL 168 N 0.79 1.29 -0.19 -0.54 -1.51 -1.83 -1.49 116.25 112.77 1sa5 h VAL 168 Ca 0.28 -1.58 -0.18 0.00 -1.23 0.00 0.00 66.70 63.98 1sa5 h VAL 168 Cb 0.11 1.52 0.01 0.00 -2.13 0.00 0.00 31.29 30.80 1sa5 h VAL 168 CO -0.08 0.50 -0.59 -0.50 -1.23 0.00 0.00 177.57 175.67 1sa5 h TRP 169 N 0.53 0.97 -0.61 5.19 4.06 -1.63 -2.25 115.95 122.20 1sa5 h TRP 169 Ca 0.04 -0.39 -0.04 0.00 2.06 0.00 0.00 58.89 60.57 1sa5 h TRP 169 Cb 0.93 -0.17 -0.03 0.00 -1.00 0.00 0.00 29.16 28.90 1sa5 h TRP 169 CO 0.04 1.20 0.23 1.25 -3.56 0.00 0.00 178.44 177.60 1sa5 h HIS 170 N 0.46 0.91 -0.57 0.49 2.76 -1.36 -1.59 115.15 116.25 1sa5 h HIS 170 Ca -0.02 -0.06 -0.04 0.00 -2.20 0.00 0.00 60.37 58.06 1sa5 h HIS 170 Cb 1.22 -0.28 -0.02 0.00 1.55 0.00 0.00 27.41 29.88 1sa5 h HIS 170 CO 0.09 0.71 0.21 1.25 -1.30 0.00 0.00 177.93 178.89 1sa5 h HIS 171 N 0.88 0.89 -0.67 5.26 6.17 -1.16 -1.76 115.15 124.76 1sa5 h HIS 171 Ca 0.21 -0.08 -0.06 0.00 0.71 0.00 0.00 60.37 61.15 1sa5 h HIS 171 Cb 0.19 -0.26 -0.03 0.00 2.52 0.00 0.00 27.41 29.83 1sa5 h HIS 171 CO 0.01 0.73 0.20 -0.09 0.71 0.00 0.00 177.93 179.49 1sa5 h ARG 172 N 0.79 1.04 -0.44 5.26 2.43 -0.96 -1.91 114.38 120.59 1sa5 h ARG 172 Ca 0.19 -0.22 -0.01 0.00 -0.81 0.00 0.00 59.98 59.13 1sa5 h ARG 172 Cb 0.23 -0.15 -0.02 0.00 -0.42 0.00 0.00 29.97 29.61 1sa5 h ARG 172 CO -0.01 0.90 0.24 -0.09 -1.51 0.00 0.00 179.97 179.49 1sa5 h ARG 173 N 1.00 0.62 -0.68 0.20 2.43 -1.03 -0.29 114.38 116.63 1sa5 h ARG 173 Ca 0.22 -0.08 0.02 0.00 -0.81 0.00 0.00 59.98 59.33 1sa5 h ARG 173 Cb 0.30 -0.12 -0.04 0.00 -0.42 0.00 0.00 29.97 29.70 1sa5 h ARG 173 CO -0.01 0.50 0.44 0.28 -1.51 0.00 0.00 179.97 179.68 1sa5 h VAL 174 N 0.58 1.14 0.26 0.20 2.07 -1.00 -0.44 116.25 119.05 1sa5 h VAL 174 Ca 0.16 -0.30 -0.01 0.00 0.82 0.00 0.00 66.70 67.36 1sa5 h VAL 174 Cb 0.07 0.18 0.00 0.00 -1.52 0.00 0.00 31.29 30.02 1sa5 h VAL 174 CO -0.02 0.16 -0.13 -0.07 0.02 0.00 0.00 177.57 177.53 1sa5 h LEU 175 N 0.88 -0.30 -0.76 2.57 3.38 -0.80 0.05 115.31 120.34 1sa5 h LEU 175 Ca 0.26 -0.03 0.13 0.00 0.09 0.00 0.00 57.88 58.33 1sa5 h LEU 175 Cb -0.05 0.08 -0.09 0.00 0.09 0.00 0.00 40.66 40.69 1sa5 h LEU 175 CO -0.08 -0.16 0.34 0.58 0.09 0.00 0.00 178.44 179.21 1sa5 h VAL 176 N -0.41 0.74 0.37 1.22 2.07 -0.83 0.47 116.25 119.87 1sa5 h VAL 176 Ca -0.04 -0.18 -0.02 0.00 0.82 0.00 0.00 66.70 67.28 1sa5 h VAL 176 Cb 0.31 0.16 0.00 0.00 -1.52 0.00 0.00 31.29 30.24 1sa5 h VAL 176 CO 0.06 0.10 -0.18 -0.33 0.02 0.00 0.00 177.57 177.23 1sa5 h GLU 177 N 0.53 -0.48 -0.26 1.57 5.08 -0.73 0.65 114.58 120.93 1sa5 h GLU 177 Ca 0.40 0.03 0.06 0.00 -1.00 0.00 0.00 59.36 58.85 1sa5 h GLU 177 Cb 0.54 0.11 -0.06 0.00 0.50 0.00 0.00 28.75 29.85 1sa5 h GLU 177 CO -0.35 -0.32 -0.12 -1.49 -1.00 0.00 0.00 179.01 175.73 1sa5 h TRP 178 N -0.50 -0.28 0.00 4.33 6.55 -0.11 -1.72 115.95 124.23 1sa5 h TRP 178 Ca -0.05 0.03 -0.01 0.00 0.95 0.00 0.00 58.89 59.80 1sa5 h TRP 178 Cb 0.39 0.16 -0.00 0.00 -0.86 0.00 0.00 29.16 28.85 1sa5 h TRP 178 CO -0.05 -0.18 -0.06 -0.07 -1.05 0.00 0.00 178.44 177.02 1sa5 h LEU 179 N -0.08 0.00 -0.51 -4.49 3.38 -0.85 -3.47 115.31 109.29 1sa5 h LEU 179 Ca 0.13 0.00 -0.44 0.00 0.09 0.00 0.00 57.88 57.67 1sa5 h LEU 179 Cb 0.28 0.00 0.02 0.00 0.09 0.00 0.00 40.66 41.06 1sa5 h LEU 179 CO -0.31 0.06 -0.69 0.29 0.09 0.00 0.00 178.44 177.88 1sa5 n LYS 180 N -3.16 -5.97 -3.73 1.13 5.02 0.22 -4.96 118.16 106.72 1sa5 n LYS 180 Ca 0.01 0.70 -0.28 0.00 -2.02 0.00 0.00 58.31 56.72 1sa5 n LYS 180 Cb 0.41 -5.62 -0.16 0.00 -0.02 0.00 0.00 35.03 29.63 1sa5 n LYS 180 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 1sa5 s ASP 181 N -3.16 3.06 -0.01 4.39 2.15 -1.08 -4.99 116.67 117.03 1sa5 s ASP 181 Ca 0.57 -0.93 0.20 0.00 0.43 0.00 0.00 52.55 52.82 1sa5 s ASP 181 Cb -0.27 -0.61 0.61 0.00 -0.30 0.00 0.00 42.92 42.34 1sa5 s ASP 181 CO 0.71 -0.32 1.51 -0.81 -0.17 0.00 0.00 175.17 176.08 1sa5 n PRO 182 N 5.04 2.87 0.15 4.34 -0.04 -1.26 -4.65 135.00 141.45 1sa5 n PRO 182 Ca -0.08 -2.61 0.19 0.00 -0.04 0.00 0.00 63.50 60.96 1sa5 n PRO 182 Cb 0.46 -1.57 0.79 0.00 -0.04 0.00 0.00 33.50 33.14 1sa5 n PRO 182 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1sa5 h SER 183 N 3.94 0.00 -0.00 3.54 4.64 -2.00 -2.05 113.55 121.62 1sa5 h SER 183 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1sa5 h SER 183 Cb 1.01 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.10 1sa5 h SER 183 CO 0.03 0.00 -0.76 0.00 -0.87 0.00 0.00 176.83 175.23 1sa5 n GLN 184 N -3.70 1.49 0.16 4.77 6.02 -1.26 -4.75 117.38 120.11 1sa5 n GLN 184 Ca 0.04 -0.07 -0.14 0.00 -0.01 0.00 0.00 57.00 56.83 1sa5 n GLN 184 Cb 0.48 -1.29 -0.08 0.00 1.02 0.00 0.00 30.24 30.37 1sa5 n GLN 184 CO 0.00 0.00 0.00 0.93 -1.01 0.00 0.00 177.06 176.98 1sa5 h GLU 185 N 0.15 -0.31 -0.44 -1.09 4.39 -1.70 -2.05 114.58 113.54 1sa5 h GLU 185 Ca 0.00 0.02 -0.02 0.00 0.34 0.00 0.00 59.36 59.70 1sa5 h GLU 185 Cb 0.41 0.07 -0.02 0.00 -0.10 0.00 0.00 28.75 29.11 1sa5 h GLU 185 CO 0.00 -0.20 0.18 -0.07 -1.16 0.00 0.00 179.01 177.76 1sa5 h LEU 186 N -0.33 0.57 -0.04 1.33 3.38 -1.86 -1.02 115.31 117.35 1sa5 h LEU 186 Ca -0.03 -0.06 -0.08 0.00 0.09 0.00 0.00 57.88 57.79 1sa5 h LEU 186 Cb 0.25 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 40.86 1sa5 h LEU 186 CO 0.05 0.51 -0.30 -0.08 0.09 0.00 0.00 178.44 178.71 1sa5 h GLU 187 N 0.62 0.27 -0.27 1.13 4.81 -1.87 -1.83 114.58 117.45 1sa5 h GLU 187 Ca 0.15 -0.24 0.01 0.00 -0.13 0.00 0.00 59.36 59.15 1sa5 h GLU 187 Cb 0.13 0.06 -0.02 0.00 0.63 0.00 0.00 28.75 29.54 1sa5 h GLU 187 CO -0.02 0.91 0.14 0.35 -0.73 0.00 0.00 179.01 179.67 1sa5 h PHE 188 N -0.29 0.27 -0.83 0.92 3.57 -1.21 -1.24 116.94 118.13 1sa5 h PHE 188 Ca -0.03 0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.47 1sa5 h PHE 188 Cb 0.99 -0.08 -0.04 0.00 2.79 0.00 0.00 35.95 39.61 1sa5 h PHE 188 CO 0.15 0.16 0.47 0.82 -2.23 0.00 0.00 178.31 177.67 1sa5 h ILE 189 N 0.30 1.24 -0.70 1.41 2.04 -1.26 -1.39 117.51 119.16 1sa5 h ILE 189 Ca 0.11 -0.57 0.05 0.00 1.00 0.00 0.00 64.86 65.45 1sa5 h ILE 189 Cb 0.01 0.11 -0.04 0.00 -0.74 0.00 0.00 36.82 36.16 1sa5 h ILE 189 CO -0.06 0.26 0.46 0.00 0.00 0.00 0.00 178.15 178.81 1sa5 h ALA 190 N 1.25 1.69 -0.28 1.87 0.00 -0.69 0.31 119.26 123.41 1sa5 h ALA 190 Ca 0.29 -0.02 -0.12 0.00 0.00 0.00 0.00 54.91 55.06 1sa5 h ALA 190 Cb 0.00 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 17.59 1sa5 h ALA 190 CO -0.05 0.21 -0.28 0.22 0.00 0.00 0.00 179.25 179.35 1sa5 h ASP 191 N 0.75 0.74 0.18 0.00 3.58 -0.21 -0.50 116.42 120.96 1sa5 h ASP 191 Ca 0.29 -0.47 -0.01 0.00 0.42 0.00 0.00 57.03 57.27 1sa5 h ASP 191 Cb 0.20 -0.21 0.00 0.00 1.72 0.00 0.00 39.33 41.05 1sa5 h ASP 191 CO -0.09 1.05 -0.09 0.40 -2.88 0.00 0.00 179.24 177.64 1sa5 h ILE 192 N 0.43 0.84 -0.11 2.25 1.08 -0.43 -2.13 117.51 119.44 1sa5 h ILE 192 Ca 0.05 -0.08 0.03 0.00 -0.39 0.00 0.00 64.86 64.47 1sa5 h ILE 192 Cb 0.84 0.89 -0.00 0.00 -3.07 0.00 0.00 36.82 35.48 1sa5 h ILE 192 CO 0.07 0.02 0.12 -0.07 -0.69 0.00 0.00 178.15 177.60 1sa5 h LEU 193 N -0.28 0.00 -0.46 1.44 3.38 -0.37 0.20 115.31 119.22 1sa5 h LEU 193 Ca -0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.95 1sa5 h LEU 193 Cb 0.22 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.97 1sa5 h LEU 193 CO 0.04 0.00 0.00 -3.20 0.09 0.00 0.00 178.44 175.37 1sa5 n ASN 194 N -3.81 0.61 -0.09 -0.43 2.85 -0.20 -1.36 115.26 112.83 1sa5 n ASN 194 Ca -0.00 0.62 -0.09 0.00 -0.11 0.00 0.00 54.58 55.00 1sa5 n ASN 194 Cb 0.23 -0.76 -0.14 0.00 1.24 0.00 0.00 39.78 40.34 1sa5 n ASN 194 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1sa5 n GLN 195 N -2.15 1.08 -3.37 1.20 6.02 0.61 -4.82 117.38 115.96 1sa5 n GLN 195 Ca 0.03 -0.01 -0.16 0.00 -0.01 0.00 0.00 57.00 56.85 1sa5 n GLN 195 Cb 0.27 -1.46 -0.08 0.00 1.02 0.00 0.00 30.24 29.99 1sa5 n GLN 195 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 177.06 176.39 1sa5 s ASP 196 N -5.19 1.26 0.00 1.08 3.68 -0.70 -5.01 116.67 111.78 1sa5 s ASP 196 Ca -0.09 -1.23 0.02 0.00 2.13 0.00 0.00 52.55 53.39 1sa5 s ASP 196 Cb 0.05 0.59 0.11 0.00 -1.45 0.00 0.00 42.92 42.23 1sa5 s ASP 196 CO 0.73 -0.31 0.98 0.00 0.13 0.00 0.00 175.17 176.70 1sa5 n ALA 197 N 4.67 1.22 -0.42 3.66 0.00 -0.46 -2.22 120.51 126.96 1sa5 n ALA 197 Ca 0.06 -0.01 0.04 0.00 0.00 0.00 0.00 53.44 53.53 1sa5 n ALA 197 Cb 0.46 -1.04 0.08 0.00 0.00 0.00 0.00 19.45 18.94 1sa5 n ALA 197 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1sa5 n LYS 198 N -1.39 2.45 -1.57 0.00 5.02 -1.26 -4.84 118.16 116.57 1sa5 n LYS 198 Ca 0.01 -1.98 -0.45 0.00 -2.02 0.00 0.00 58.31 53.87 1sa5 n LYS 198 Cb 0.02 -1.24 -0.04 0.00 -0.02 0.00 0.00 35.03 33.76 1sa5 n LYS 198 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 1sa5 n ASN 199 N -0.69 3.02 -0.17 4.39 2.85 -0.94 -4.85 115.26 118.88 1sa5 n ASN 199 Ca 0.08 0.29 -0.02 0.00 -0.11 0.00 0.00 54.58 54.82 1sa5 n ASN 199 Cb 0.43 -1.48 0.07 0.00 1.24 0.00 0.00 39.78 40.04 1sa5 n ASN 199 CO 0.00 0.00 0.00 0.22 -2.11 0.00 0.00 177.26 175.37 1sa5 h TYR 200 N 14.14 0.27 -0.37 1.20 3.20 -1.95 -1.80 116.97 131.66 1sa5 h TYR 200 Ca -0.38 0.03 -0.06 0.00 3.14 0.00 0.00 58.73 61.45 1sa5 h TYR 200 Cb 1.26 -0.04 -0.02 0.00 1.54 0.00 0.00 36.73 39.47 1sa5 h TYR 200 CO 0.94 0.06 -0.03 0.45 -1.64 0.00 0.00 178.16 177.94 1sa5 h HIS 201 N 0.32 0.63 0.06 -3.82 3.86 -1.88 -1.66 115.15 112.65 1sa5 h HIS 201 Ca 0.25 -0.08 -0.00 0.00 -1.16 0.00 0.00 60.37 59.38 1sa5 h HIS 201 Cb 0.31 -0.18 0.00 0.00 1.06 0.00 0.00 27.41 28.60 1sa5 h HIS 201 CO -0.19 0.63 -0.03 0.00 0.86 0.00 0.00 177.93 179.20 1sa5 h ALA 202 N 1.41 -0.08 -0.33 2.45 0.00 -1.68 0.01 119.26 121.04 1sa5 h ALA 202 Ca 0.11 -0.09 -0.05 0.00 0.00 0.00 0.00 54.91 54.88 1sa5 h ALA 202 Cb 0.41 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.21 1sa5 h ALA 202 CO 0.02 -0.46 -0.02 -1.49 0.00 0.00 0.00 179.25 177.30 1sa5 h TRP 203 N -0.25 0.53 -0.48 0.00 4.06 -1.23 -0.29 115.95 118.30 1sa5 h TRP 203 Ca -0.01 -0.06 -0.13 0.00 2.06 0.00 0.00 58.89 60.76 1sa5 h TRP 203 Cb 0.22 -0.15 -0.01 0.00 -1.00 0.00 0.00 29.16 28.21 1sa5 h TRP 203 CO -0.02 0.53 -0.20 0.37 -3.56 0.00 0.00 178.44 175.56 1sa5 h GLN 204 N 0.49 0.98 -0.40 0.49 4.15 -1.07 -0.80 115.11 118.95 1sa5 h GLN 204 Ca 0.10 -0.41 -0.08 0.00 0.77 0.00 0.00 58.65 59.02 1sa5 h GLN 204 Cb 0.35 -0.03 -0.01 0.00 0.21 0.00 0.00 27.48 27.99 1sa5 h GLN 204 CO 0.01 1.09 -0.08 1.25 -1.93 0.00 0.00 178.83 179.17 1sa5 h HIS 205 N 0.83 0.85 -0.82 3.99 2.76 -0.67 -2.10 115.15 119.99 1sa5 h HIS 205 Ca 0.11 -0.18 0.02 0.00 -2.20 0.00 0.00 60.37 58.12 1sa5 h HIS 205 Cb 0.78 -0.21 -0.05 0.00 1.55 0.00 0.00 27.41 29.49 1sa5 h HIS 205 CO 0.05 0.88 0.53 -0.09 -1.30 0.00 0.00 177.93 178.00 1sa5 h ARG 206 N 0.57 1.03 -0.31 5.26 2.43 -0.86 -0.15 114.38 122.35 1sa5 h ARG 206 Ca 0.10 -0.06 -0.05 0.00 -0.81 0.00 0.00 59.98 59.16 1sa5 h ARG 206 Cb 0.60 -0.23 -0.01 0.00 -0.42 0.00 0.00 29.97 29.90 1sa5 h ARG 206 CO 0.04 0.68 0.01 1.96 -1.51 0.00 0.00 179.97 181.14 1sa5 h GLN 207 N 1.06 0.55 0.25 0.20 4.20 -1.02 -1.80 115.11 118.55 1sa5 h GLN 207 Ca 0.31 -0.17 0.01 0.00 0.06 0.00 0.00 58.65 58.86 1sa5 h GLN 207 Cb -0.05 -0.05 -0.03 0.00 0.30 0.00 0.00 27.48 27.65 1sa5 h GLN 207 CO -0.09 0.68 -0.33 2.35 -0.67 0.00 0.00 178.83 180.77 1sa5 h TRP 208 N 0.35 -0.88 -0.38 2.96 7.01 -0.83 -0.04 115.95 124.12 1sa5 h TRP 208 Ca 0.09 0.01 0.07 0.00 2.11 0.00 0.00 58.89 61.17 1sa5 h TRP 208 Cb 0.43 0.36 -0.06 0.00 -2.10 0.00 0.00 29.16 27.78 1sa5 h TRP 208 CO 0.03 -0.45 0.02 0.28 -2.79 0.00 0.00 178.44 175.53 1sa5 h VAL 209 N -0.63 0.74 -0.64 2.65 2.07 -1.01 0.14 116.25 119.57 1sa5 h VAL 209 Ca -0.00 -0.04 -0.00 0.00 0.82 0.00 0.00 66.70 67.47 1sa5 h VAL 209 Cb 0.61 0.60 -0.03 0.00 -1.52 0.00 0.00 31.29 30.94 1sa5 h VAL 209 CO -0.11 0.02 0.38 0.40 0.02 0.00 0.00 177.57 178.29 1sa5 h ILE 210 N 0.13 1.19 0.38 4.57 2.04 -1.11 -1.45 117.51 123.25 1sa5 h ILE 210 Ca 0.19 -0.42 -0.02 0.00 1.00 0.00 0.00 64.86 65.61 1sa5 h ILE 210 Cb 0.25 0.31 0.00 0.00 -0.74 0.00 0.00 36.82 36.65 1sa5 h ILE 210 CO -0.29 0.19 -0.18 1.56 0.00 0.00 0.00 178.15 179.43 1sa5 h GLN 211 N 0.86 -0.49 -0.21 2.37 4.20 -0.54 0.34 115.11 121.64 1sa5 h GLN 211 Ca 0.23 0.03 0.06 0.00 0.06 0.00 0.00 58.65 59.03 1sa5 h GLN 211 Cb -0.02 0.11 -0.01 0.00 0.30 0.00 0.00 27.48 27.86 1sa5 h GLN 211 CO -0.04 -0.19 0.16 0.93 -0.67 0.00 0.00 178.83 179.02 1sa5 h GLU 212 N -0.99 0.00 -0.07 1.46 4.39 -0.77 -2.53 114.58 116.08 1sa5 h GLU 212 Ca -0.05 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.65 1sa5 h GLU 212 Cb 0.52 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.17 1sa5 h GLU 212 CO 0.09 0.00 0.00 1.19 -1.16 0.00 0.00 179.01 179.13 1sa5 n PHE 213 N -4.40 0.08 -3.44 4.33 3.01 -0.55 -5.03 117.46 111.46 1sa5 n PHE 213 Ca 0.02 -0.11 -0.19 0.00 1.01 0.00 0.00 57.45 58.18 1sa5 n PHE 213 Cb 0.30 -0.01 0.03 0.00 -0.01 0.00 0.00 39.48 39.80 1sa5 n PHE 213 CO 0.00 0.00 0.00 0.54 1.01 0.00 0.00 176.76 178.31 1sa5 n ARG 214 N 0.43 -1.51 -2.25 -1.08 1.74 0.11 -4.92 116.66 109.17 1sa5 n ARG 214 Ca 0.06 0.85 -0.32 0.00 -0.77 0.00 0.00 57.85 57.66 1sa5 n ARG 214 Cb 0.25 -4.69 0.02 0.00 -1.02 0.00 0.00 32.46 27.01 1sa5 n ARG 214 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 1sa5 n LEU 215 N -3.17 5.85 -0.02 0.55 4.77 -0.31 -4.79 117.00 119.88 1sa5 n LEU 215 Ca -0.09 -5.06 -0.11 0.00 -0.03 0.00 0.00 56.01 50.71 1sa5 n LEU 215 Cb 0.59 -0.70 0.02 0.00 -2.33 0.00 0.00 43.42 40.99 1sa5 n LEU 215 CO 0.61 2.05 0.45 -0.50 -1.33 0.00 0.00 177.39 178.67 1sa5 h TRP 216 N 2.75 0.82 -0.48 -1.77 4.06 -1.92 -3.39 115.95 116.02 1sa5 h TRP 216 Ca 0.41 -0.30 0.17 0.00 2.06 0.00 0.00 58.89 61.23 1sa5 h TRP 216 Cb 0.56 -0.15 -0.09 0.00 -1.00 0.00 0.00 29.16 28.48 1sa5 h TRP 216 CO 0.97 1.06 0.16 -0.25 -3.56 0.00 0.00 178.44 176.82 1sa5 n ASP 217 N -3.97 0.08 -0.10 -3.49 9.92 -1.26 -1.81 116.55 115.92 1sa5 n ASP 217 Ca -0.04 0.80 0.01 0.00 -0.53 0.00 0.00 54.79 55.04 1sa5 n ASP 217 Cb 0.62 -0.35 0.02 0.00 -0.64 0.00 0.00 41.12 40.77 1sa5 n ASP 217 CO 0.00 0.00 0.00 0.59 0.13 0.00 0.00 177.20 177.92 1sa5 n ASN 218 N -4.27 1.64 -0.26 -2.24 3.02 -1.26 -4.75 115.26 107.14 1sa5 n ASN 218 Ca 0.15 -1.51 -0.07 0.00 -0.03 0.00 0.00 54.58 53.12 1sa5 n ASN 218 Cb 0.52 -0.02 0.05 0.00 -0.61 0.00 0.00 39.78 39.72 1sa5 n ASN 218 CO 0.00 0.00 0.00 -0.08 -2.62 0.00 0.00 177.26 174.56 1sa5 h GLU 219 N 0.40 1.15 -0.76 3.52 4.57 -1.59 -1.98 114.58 119.89 1sa5 h GLU 219 Ca 0.00 -0.26 -0.00 0.00 -1.18 0.00 0.00 59.36 57.92 1sa5 h GLU 219 Cb 0.30 -0.16 -0.04 0.00 -0.16 0.00 0.00 28.75 28.69 1sa5 h GLU 219 CO 0.00 0.99 0.46 1.25 -1.18 0.00 0.00 179.01 180.53 1sa5 h LEU 220 N 1.09 0.90 -0.65 1.64 5.85 -1.86 0.31 115.31 122.59 1sa5 h LEU 220 Ca 0.23 -0.05 -0.07 0.00 0.84 0.00 0.00 57.88 58.83 1sa5 h LEU 220 Cb 0.34 -0.23 -0.03 0.00 0.37 0.00 0.00 40.66 41.12 1sa5 h LEU 220 CO -0.00 0.69 0.13 -0.61 -0.34 0.00 0.00 178.44 178.31 1sa5 h GLN 221 N 1.04 1.06 -0.27 1.25 4.15 -1.80 -0.49 115.11 120.06 1sa5 h GLN 221 Ca 0.27 -0.27 -0.01 0.00 0.77 0.00 0.00 58.65 59.41 1sa5 h GLN 221 Cb -0.05 -0.13 -0.01 0.00 0.21 0.00 0.00 27.48 27.50 1sa5 h GLN 221 CO -0.05 0.97 0.12 -0.92 -1.93 0.00 0.00 178.83 177.01 1sa5 h TYR 222 N 0.98 0.41 -0.87 3.99 3.20 -0.44 -1.90 116.97 122.34 1sa5 h TYR 222 Ca 0.20 -0.03 0.08 0.00 3.14 0.00 0.00 58.73 62.13 1sa5 h TYR 222 Cb 0.40 -0.12 -0.07 0.00 1.54 0.00 0.00 36.73 38.48 1sa5 h TYR 222 CO 0.03 0.40 0.52 0.28 -1.64 0.00 0.00 178.16 177.75 1sa5 h VAL 223 N 0.30 0.97 -0.04 1.81 2.07 -0.08 -0.55 116.25 120.73 1sa5 h VAL 223 Ca 0.09 -0.31 -0.07 0.00 0.82 0.00 0.00 66.70 67.23 1sa5 h VAL 223 Cb 0.16 -0.01 -0.01 0.00 -1.52 0.00 0.00 31.29 29.90 1sa5 h VAL 223 CO -0.01 0.16 -0.30 0.44 0.02 0.00 0.00 177.57 177.88 1sa5 h ASP 224 N 0.90 0.07 0.03 0.57 3.32 -0.72 -1.00 116.42 119.60 1sa5 h ASP 224 Ca 0.40 -0.02 -0.00 0.00 0.02 0.00 0.00 57.03 57.43 1sa5 h ASP 224 Cb 0.30 -0.02 0.00 0.00 0.22 0.00 0.00 39.33 39.83 1sa5 h ASP 224 CO -0.22 0.38 -0.01 -0.61 -1.72 0.00 0.00 179.24 177.06 1sa5 h GLN 225 N 0.07 -0.04 -0.16 3.56 4.15 -0.33 -2.46 115.11 119.90 1sa5 h GLN 225 Ca 0.01 0.00 -0.11 0.00 0.77 0.00 0.00 58.65 59.32 1sa5 h GLN 225 Cb 0.57 0.01 -0.01 0.00 0.21 0.00 0.00 27.48 28.26 1sa5 h GLN 225 CO 0.04 0.30 -0.39 -0.07 -1.93 0.00 0.00 178.83 176.79 1sa5 h LEU 226 N -0.38 0.38 -1.25 -2.39 3.38 -1.18 -1.69 115.31 112.17 1sa5 h LEU 226 Ca -0.00 -0.16 -0.07 0.00 0.09 0.00 0.00 57.88 57.74 1sa5 h LEU 226 Cb 0.36 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.99 1sa5 h LEU 226 CO 0.01 0.73 -0.26 -0.07 0.09 0.00 0.00 178.44 178.94 1sa5 h LEU 227 N 0.30 0.18 -0.19 1.67 3.38 -1.19 0.22 115.31 119.68 1sa5 h LEU 227 Ca 0.03 -0.05 -0.06 0.00 0.09 0.00 0.00 57.88 57.89 1sa5 h LEU 227 Cb 0.82 -0.05 -0.00 0.00 0.09 0.00 0.00 40.66 41.52 1sa5 h LEU 227 CO 0.07 0.45 -0.10 0.50 0.09 0.00 0.00 178.44 179.44 1sa5 h LYS 228 N 0.17 0.40 -0.63 1.13 3.64 -0.96 0.91 116.57 121.21 1sa5 h LYS 228 Ca 0.03 -0.18 0.01 0.00 -1.27 0.00 0.00 60.65 59.24 1sa5 h LYS 228 Cb 0.55 -0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 32.33 1sa5 h LYS 228 CO 0.04 0.71 0.42 0.93 -2.27 0.00 0.00 179.45 179.27 1sa5 h GLU 229 N 0.08 0.83 -1.70 1.90 5.08 -0.67 -3.39 114.58 116.70 1sa5 h GLU 229 Ca 0.04 -0.05 -0.25 0.00 -1.00 0.00 0.00 59.36 58.10 1sa5 h GLU 229 Cb 0.59 -0.19 -0.28 0.00 0.50 0.00 0.00 28.75 29.38 1sa5 h GLU 229 CO 0.03 0.55 -0.59 0.34 -1.00 0.00 0.00 179.01 178.33 1sa5 s ASP 230 N -5.76 0.43 0.00 1.42 -1.08 0.70 -4.99 116.67 107.38 1sa5 s ASP 230 Ca -0.13 -1.00 0.07 0.00 -0.52 0.00 0.00 52.55 50.96 1sa5 s ASP 230 Cb 0.14 1.00 0.33 0.00 -1.46 0.00 0.00 42.92 42.93 1sa5 s ASP 230 CO 0.76 -0.28 1.13 0.55 0.52 0.00 0.00 175.17 177.85 1sa5 n VAL 231 N 4.69 1.13 1.22 1.11 3.14 0.30 -1.32 118.33 128.60 1sa5 n VAL 231 Ca 0.07 0.28 0.13 0.00 -2.96 0.00 0.00 64.34 61.86 1sa5 n VAL 231 Cb 0.49 -1.17 0.29 0.00 -1.06 0.00 0.00 33.84 32.39 1sa5 n VAL 231 CO 0.00 0.00 0.00 0.54 -6.46 0.00 0.00 176.83 170.91 1sa5 n ARG 232 N -1.37 1.63 -2.10 1.45 1.74 -1.26 -4.77 116.66 111.98 1sa5 n ARG 232 Ca 0.03 -1.16 -0.40 0.00 -0.77 0.00 0.00 57.85 55.55 1sa5 n ARG 232 Cb 0.06 -1.48 -0.03 0.00 -1.02 0.00 0.00 32.46 30.00 1sa5 n ARG 232 CO 0.00 0.00 0.00 1.21 -1.52 0.00 0.00 177.63 177.32 1sa5 s ASN 233 N -2.18 5.55 0.52 0.55 3.84 -0.43 -4.84 114.94 117.95 1sa5 s ASN 233 Ca 0.29 0.50 0.27 0.00 0.21 0.00 0.00 52.86 54.14 1sa5 s ASN 233 Cb 0.20 -2.53 1.42 0.00 -0.55 0.00 0.00 41.25 39.79 1sa5 s ASN 233 CO 0.40 -2.13 2.06 -1.13 -2.79 0.00 0.00 177.10 173.51 1sa5 h ASN 234 N 13.83 0.00 0.18 -4.21 -1.24 -1.90 -2.32 115.58 119.92 1sa5 h ASN 234 Ca -0.28 0.00 -0.12 0.00 0.71 0.00 0.00 56.30 56.61 1sa5 h ASN 234 Cb 1.15 0.00 -0.01 0.00 0.73 0.00 0.00 38.32 40.19 1sa5 h ASN 234 CO 1.18 0.12 -0.46 0.28 -1.29 0.00 0.00 177.43 177.26 1sa5 h SER 235 N 0.00 0.36 0.18 1.15 0.02 -1.90 -1.84 113.55 111.52 1sa5 h SER 235 Ca -0.00 -0.16 -0.20 0.00 -0.84 0.00 0.00 61.79 60.59 1sa5 h SER 235 Cb 0.36 -0.10 -0.00 0.00 0.14 0.00 0.00 62.40 62.80 1sa5 h SER 235 CO 0.02 0.77 -0.77 0.58 -1.14 0.00 0.00 176.83 176.29 1sa5 h VAL 236 N 0.27 1.36 -0.15 2.27 2.07 -1.74 -0.40 116.25 119.93 1sa5 h VAL 236 Ca 0.02 -2.14 -0.07 0.00 0.82 0.00 0.00 66.70 65.33 1sa5 h VAL 236 Cb 0.91 2.12 -0.01 0.00 -1.52 0.00 0.00 31.29 32.79 1sa5 h VAL 236 CO 0.08 0.65 -0.23 -0.50 0.02 0.00 0.00 177.57 177.58 1sa5 h TRP 237 N 0.33 0.28 -0.16 1.57 4.06 -1.34 0.60 115.95 121.30 1sa5 h TRP 237 Ca -0.04 -0.05 -0.19 0.00 2.06 0.00 0.00 58.89 60.67 1sa5 h TRP 237 Cb 1.36 -0.07 -0.00 0.00 -1.00 0.00 0.00 29.16 29.45 1sa5 h TRP 237 CO 0.06 0.48 -0.67 -0.97 -3.56 0.00 0.00 178.44 173.78 1sa5 h ASN 238 N 0.24 0.71 -0.06 -3.49 -1.24 -1.07 -2.37 115.58 108.29 1sa5 h ASN 238 Ca 0.04 -0.43 -0.10 0.00 0.71 0.00 0.00 56.30 56.52 1sa5 h ASN 238 Cb 0.55 -0.21 -0.01 0.00 0.73 0.00 0.00 38.32 39.38 1sa5 h ASN 238 CO 0.04 1.18 -0.27 -0.61 -1.29 0.00 0.00 177.43 176.48 1sa5 h GLN 239 N 0.44 0.51 -0.18 6.67 5.75 -0.44 -1.41 115.11 126.46 1sa5 h GLN 239 Ca -0.02 -0.20 -0.01 0.00 -0.15 0.00 0.00 58.65 58.27 1sa5 h GLN 239 Cb 1.25 -0.02 -0.01 0.00 1.07 0.00 0.00 27.48 29.77 1sa5 h GLN 239 CO 0.13 0.74 0.08 -0.09 -2.65 0.00 0.00 178.83 177.04 1sa5 h ARG 240 N 0.45 0.25 0.00 1.69 2.43 -0.76 0.08 114.38 118.52 1sa5 h ARG 240 Ca 0.06 -0.04 -0.03 0.00 -0.81 0.00 0.00 59.98 59.16 1sa5 h ARG 240 Cb 0.71 -0.05 -0.00 0.00 -0.42 0.00 0.00 29.97 30.21 1sa5 h ARG 240 CO 0.05 0.29 -0.16 1.25 -1.51 0.00 0.00 179.97 179.89 1sa5 h HIS 241 N 0.15 0.00 -0.05 2.20 2.76 -1.24 -2.10 115.15 116.87 1sa5 h HIS 241 Ca 0.06 0.00 -0.03 0.00 -2.20 0.00 0.00 60.37 58.20 1sa5 h HIS 241 Cb 0.12 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.08 1sa5 h HIS 241 CO -0.02 0.16 -0.10 0.35 -1.30 0.00 0.00 177.93 177.02 1sa5 h PHE 242 N 0.00 0.19 -0.37 5.26 3.57 -0.34 -2.23 116.94 123.02 1sa5 h PHE 242 Ca -0.00 -0.07 -0.03 0.00 3.53 0.00 0.00 57.97 61.40 1sa5 h PHE 242 Cb 0.40 -0.04 -0.02 0.00 2.79 0.00 0.00 35.95 39.09 1sa5 h PHE 242 CO 0.00 0.69 0.12 0.28 -2.23 0.00 0.00 178.31 177.17 1sa5 h VAL 243 N -0.36 1.21 -0.06 1.41 2.07 -0.74 -2.92 116.25 116.86 1sa5 h VAL 243 Ca 0.00 -0.69 -0.01 0.00 0.82 0.00 0.00 66.70 66.83 1sa5 h VAL 243 Cb 0.68 0.95 -0.00 0.00 -1.52 0.00 0.00 31.29 31.40 1sa5 h VAL 243 CO 0.02 0.24 -0.00 0.40 0.02 0.00 0.00 177.57 178.25 1sa5 h ILE 244 N 0.46 1.26 -0.73 4.57 2.04 -1.47 -2.20 117.51 121.42 1sa5 h ILE 244 Ca 0.12 -0.80 0.16 0.00 1.00 0.00 0.00 64.86 65.35 1sa5 h ILE 244 Cb 0.25 1.67 -0.04 0.00 -0.74 0.00 0.00 36.82 37.96 1sa5 h ILE 244 CO -0.00 0.22 0.50 0.28 0.00 0.00 0.00 178.15 179.14 1sa5 h SER 245 N -0.19 0.29 0.01 1.72 0.02 -1.42 0.27 113.55 114.25 1sa5 h SER 245 Ca 0.02 0.02 0.00 0.00 -0.84 0.00 0.00 61.79 60.99 1sa5 h SER 245 Cb 0.35 -0.04 0.00 0.00 0.14 0.00 0.00 62.40 62.85 1sa5 h SER 245 CO 0.00 0.14 -0.20 0.59 -1.14 0.00 0.00 176.83 176.23 1sa5 n ASN 246 N -4.45 2.17 0.00 3.07 3.02 -1.10 -4.28 115.26 113.69 1sa5 n ASN 246 Ca 0.14 -1.61 0.00 0.00 -0.03 0.00 0.00 54.58 53.09 1sa5 n ASN 246 Cb 0.59 0.18 0.00 0.00 -0.61 0.00 0.00 39.78 39.95 1sa5 n ASN 246 CO 0.00 0.00 0.00 0.35 -2.62 0.00 0.00 177.26 174.99 1sa5 n THR 247 N 0.43 0.00 0.15 3.41 -2.24 -0.53 -4.91 114.28 110.58 1sa5 n THR 247 Ca 0.13 0.00 0.01 0.00 -2.27 0.00 0.00 64.05 61.92 1sa5 n THR 247 Cb 0.48 -0.03 0.20 0.00 -2.10 0.00 0.00 70.33 68.89 1sa5 n THR 247 CO 0.00 0.00 0.00 0.71 -0.57 0.00 0.00 175.07 175.21 1sa5 h THR 248 N 0.00 1.27 0.00 4.28 1.35 -1.77 -3.50 112.91 114.54 1sa5 h THR 248 Ca 0.00 -2.00 0.00 0.00 -0.55 0.00 0.00 66.41 63.86 1sa5 h THR 248 Cb 0.00 2.12 0.00 0.00 -1.73 0.00 0.00 68.15 68.54 1sa5 h THR 248 CO 0.00 0.55 0.00 0.61 -0.25 0.00 0.00 175.52 176.43 1sa5 n GLY 249 N 0.32 -1.46 1.17 5.82 0.00 0.84 -4.57 105.19 107.31 1sa5 n GLY 249 Ca -0.01 -1.57 0.09 0.00 0.00 0.00 0.00 46.02 44.54 1sa5 n GLY 249 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1sa5 n TYR 250 N -1.78 0.92 0.08 1.61 4.02 -1.26 -4.31 117.16 116.43 1sa5 n TYR 250 Ca 0.00 -0.53 -0.00 0.00 -0.01 0.00 0.00 57.90 57.35 1sa5 n TYR 250 Cb 0.00 -0.06 -0.04 0.00 -0.02 0.00 0.00 39.34 39.21 1sa5 n TYR 250 CO 0.00 0.00 0.00 0.77 -1.01 0.00 0.00 176.86 176.62 1sa5 h SER 251 N 3.51 0.00 -2.00 7.72 0.02 -1.99 -3.40 113.55 117.40 1sa5 h SER 251 Ca 0.00 0.00 -0.52 0.00 -0.84 0.00 0.00 61.79 60.43 1sa5 h SER 251 Cb 1.01 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.54 1sa5 h SER 251 CO 0.05 0.62 1.46 -0.62 -1.14 0.00 0.00 176.83 177.20 1sa5 s ASP 252 N -6.24 5.14 0.43 3.07 2.15 -1.26 -4.83 116.67 115.13 1sa5 s ASP 252 Ca 0.01 1.02 0.22 0.00 0.43 0.00 0.00 52.55 54.23 1sa5 s ASP 252 Cb 0.08 -2.52 1.18 0.00 -0.30 0.00 0.00 42.92 41.37 1sa5 s ASP 252 CO 0.78 -2.35 1.79 0.03 -0.17 0.00 0.00 175.17 175.25 1sa5 h ARG 253 N 16.15 0.31 -0.51 4.34 3.08 -1.96 0.12 114.38 135.91 1sa5 h ARG 253 Ca -0.29 -0.02 -0.07 0.00 0.07 0.00 0.00 59.98 59.67 1sa5 h ARG 253 Cb 1.21 -0.07 -0.02 0.00 0.08 0.00 0.00 29.97 31.17 1sa5 h ARG 253 CO 1.12 0.20 0.04 0.00 -1.07 0.00 0.00 179.97 180.26 1sa5 h ALA 254 N 1.59 0.68 0.32 0.04 0.00 -1.96 -0.78 119.26 119.14 1sa5 h ALA 254 Ca 0.57 -0.27 -0.02 0.00 0.00 0.00 0.00 54.91 55.20 1sa5 h ALA 254 Cb 1.60 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 19.20 1sa5 h ALA 254 CO -0.23 0.46 -0.15 0.28 0.00 0.00 0.00 179.25 179.60 1sa5 h VAL 255 N 0.74 0.68 -0.63 0.00 2.07 -1.19 -1.14 116.25 116.78 1sa5 h VAL 255 Ca 0.15 -0.56 0.10 0.00 0.82 0.00 0.00 66.70 67.21 1sa5 h VAL 255 Cb 0.47 0.96 -0.07 0.00 -1.52 0.00 0.00 31.29 31.12 1sa5 h VAL 255 CO 0.02 0.11 0.23 0.25 0.02 0.00 0.00 177.57 178.20 1sa5 h LEU 256 N -0.75 0.23 -0.22 2.57 5.85 -1.21 -0.04 115.31 121.75 1sa5 h LEU 256 Ca -0.04 0.08 0.04 0.00 0.84 0.00 0.00 57.88 58.79 1sa5 h LEU 256 Cb 0.50 0.06 -0.03 0.00 0.37 0.00 0.00 40.66 41.56 1sa5 h LEU 256 CO 0.07 0.13 0.00 -0.08 -0.34 0.00 0.00 178.44 178.22 1sa5 h GLU 257 N 0.41 0.07 -0.22 1.25 4.57 -1.10 -1.40 114.58 118.16 1sa5 h GLU 257 Ca 0.32 -0.00 0.05 0.00 -1.18 0.00 0.00 59.36 58.54 1sa5 h GLU 257 Cb 0.40 -0.02 -0.05 0.00 -0.16 0.00 0.00 28.75 28.93 1sa5 h GLU 257 CO -0.32 0.05 -0.10 -0.09 -1.18 0.00 0.00 179.01 177.37 1sa5 h ARG 258 N 0.07 -0.07 -0.21 1.92 2.43 -0.02 -1.35 114.38 117.16 1sa5 h ARG 258 Ca 0.10 0.00 0.04 0.00 -0.81 0.00 0.00 59.98 59.31 1sa5 h ARG 258 Cb 0.13 0.02 -0.03 0.00 -0.42 0.00 0.00 29.97 29.66 1sa5 h ARG 258 CO -0.17 -0.05 -0.00 0.93 -1.51 0.00 0.00 179.97 179.17 1sa5 h GLU 259 N -0.07 0.06 -0.50 0.20 4.39 -0.59 -0.28 114.58 117.79 1sa5 h GLU 259 Ca 0.12 -0.00 -0.05 0.00 0.34 0.00 0.00 59.36 59.76 1sa5 h GLU 259 Cb 0.25 -0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 28.86 1sa5 h GLU 259 CO -0.26 0.04 0.11 0.28 -1.16 0.00 0.00 179.01 178.01 1sa5 h VAL 260 N 0.06 1.22 0.21 3.13 2.07 -1.06 -0.12 116.25 121.76 1sa5 h VAL 260 Ca 0.10 -0.80 -0.01 0.00 0.82 0.00 0.00 66.70 66.81 1sa5 h VAL 260 Cb 0.13 0.72 0.00 0.00 -1.52 0.00 0.00 31.29 30.62 1sa5 h VAL 260 CO -0.17 0.30 -0.10 -0.61 0.02 0.00 0.00 177.57 177.00 1sa5 h GLN 261 N 0.75 -0.28 -0.33 1.57 5.75 -0.73 -0.37 115.11 121.47 1sa5 h GLN 261 Ca 0.16 0.02 0.06 0.00 -0.15 0.00 0.00 58.65 58.74 1sa5 h GLN 261 Cb 0.30 0.06 -0.05 0.00 1.07 0.00 0.00 27.48 28.86 1sa5 h GLN 261 CO 0.00 -0.15 -0.00 -0.92 -2.65 0.00 0.00 178.83 175.11 1sa5 h TYR 262 N -0.34 -0.02 0.59 3.99 3.20 -0.66 0.34 116.97 124.07 1sa5 h TYR 262 Ca -0.03 0.02 -0.03 0.00 3.14 0.00 0.00 58.73 61.84 1sa5 h TYR 262 Cb 0.26 0.06 0.01 0.00 1.54 0.00 0.00 36.73 38.59 1sa5 h TYR 262 CO -0.05 -0.06 -0.28 1.15 -1.64 0.00 0.00 178.16 177.28 1sa5 h THR 263 N 0.09 0.42 -0.89 1.81 2.02 -0.85 0.12 112.91 115.62 1sa5 h THR 263 Ca 0.16 0.00 0.14 0.00 0.77 0.00 0.00 66.41 67.48 1sa5 h THR 263 Cb 0.22 0.42 -0.07 0.00 -1.74 0.00 0.00 68.15 66.98 1sa5 h THR 263 CO -0.27 0.00 0.57 -0.07 0.37 0.00 0.00 175.52 176.12 1sa5 h LEU 264 N -0.79 0.67 -0.10 2.58 3.38 -0.90 0.75 115.31 120.90 1sa5 h LEU 264 Ca -0.08 0.04 -0.00 0.00 0.09 0.00 0.00 57.88 57.93 1sa5 h LEU 264 Cb 0.61 -0.10 -0.00 0.00 0.09 0.00 0.00 40.66 41.26 1sa5 h LEU 264 CO 0.13 0.35 0.06 -0.08 0.09 0.00 0.00 178.44 178.99 1sa5 h GLU 265 N 0.72 0.14 -0.52 1.13 4.57 -0.31 -0.53 114.58 119.78 1sa5 h GLU 265 Ca 0.44 -0.01 -0.02 0.00 -1.18 0.00 0.00 59.36 58.59 1sa5 h GLU 265 Cb 0.68 -0.03 -0.02 0.00 -0.16 0.00 0.00 28.75 29.22 1sa5 h GLU 265 CO -0.20 0.12 0.24 0.52 -1.18 0.00 0.00 179.01 178.51 1sa5 h MET 266 N 0.11 0.76 -0.78 1.92 2.86 0.13 -2.15 114.93 117.78 1sa5 h MET 266 Ca 0.04 -0.12 0.07 0.00 -2.06 0.00 0.00 59.70 57.63 1sa5 h MET 266 Cb 0.02 -0.13 -0.05 0.00 0.06 0.00 0.00 31.60 31.50 1sa5 h MET 266 CO -0.01 0.63 0.51 0.82 1.06 0.00 0.00 176.91 179.93 1sa5 h ILE 267 N 0.70 1.03 -0.40 -1.22 2.04 0.68 0.11 117.51 120.45 1sa5 h ILE 267 Ca 0.18 -0.28 -0.05 0.00 1.00 0.00 0.00 64.86 65.70 1sa5 h ILE 267 Cb 0.14 0.13 -0.02 0.00 -0.74 0.00 0.00 36.82 36.33 1sa5 h ILE 267 CO -0.02 0.15 0.04 0.11 0.00 0.00 0.00 178.15 178.43 1sa5 h LYS 268 N 0.83 0.67 -0.38 2.37 1.57 -0.52 0.14 116.57 121.26 1sa5 h LYS 268 Ca 0.34 -0.19 -0.10 0.00 -1.87 0.00 0.00 60.65 58.82 1sa5 h LYS 268 Cb 0.26 -0.07 -0.02 0.00 0.08 0.00 0.00 32.23 32.48 1sa5 h LYS 268 CO -0.12 0.74 -0.19 -0.07 -0.57 0.00 0.00 179.45 179.24 1sa5 h LEU 269 N 0.51 0.72 -6.06 2.94 4.07 -0.66 -3.36 115.31 113.47 1sa5 h LEU 269 Ca 0.12 -0.24 -0.57 0.00 0.08 0.00 0.00 57.88 57.27 1sa5 h LEU 269 Cb 0.41 -0.20 -0.39 0.00 1.08 0.00 0.00 40.66 41.56 1sa5 h LEU 269 CO 0.01 0.90 -1.02 0.52 -1.08 0.00 0.00 178.44 177.78 1sa5 n VAL 270 N -4.13 -0.23 -0.45 1.22 0.31 0.28 -5.00 118.33 110.33 1sa5 n VAL 270 Ca 0.00 -4.17 0.39 0.00 -0.01 0.00 0.00 64.34 60.55 1sa5 n VAL 270 Cb 0.40 -1.97 0.66 0.00 -0.91 0.00 0.00 33.84 32.03 1sa5 n VAL 270 CO 0.00 0.00 0.00 -2.65 -1.32 0.00 0.00 176.83 172.86 1sa5 n PRO 271 N 1.41 -0.04 -0.25 5.55 -0.02 0.03 -1.20 135.00 140.47 1sa5 n PRO 271 Ca 0.23 1.28 0.10 0.00 -2.02 0.00 0.00 63.50 63.09 1sa5 n PRO 271 Cb 0.51 -2.48 0.27 0.00 -0.02 0.00 0.00 33.50 31.77 1sa5 n PRO 271 CO 0.00 0.00 0.00 0.72 1.98 0.00 0.00 175.50 178.20 1sa5 n HIS 272 N -4.82 0.67 -2.70 6.00 8.25 -1.26 -4.84 115.22 116.51 1sa5 n HIS 272 Ca 0.40 -0.33 -0.43 0.00 -0.26 0.00 0.00 57.72 57.10 1sa5 n HIS 272 Cb 1.53 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 32.60 1sa5 n HIS 272 CO 0.00 0.00 0.00 1.21 0.64 0.00 0.00 176.34 178.19 1sa5 s ASN 273 N -1.19 6.41 0.58 0.41 2.47 -0.34 -4.91 114.94 118.37 1sa5 s ASN 273 Ca 0.39 -0.07 0.30 0.00 0.42 0.00 0.00 52.86 53.91 1sa5 s ASN 273 Cb 0.21 -2.50 1.78 0.00 -1.45 0.00 0.00 41.25 39.29 1sa5 s ASN 273 CO 0.29 -1.34 2.22 -0.08 -3.72 0.00 0.00 177.10 174.46 1sa5 h GLU 274 N 9.41 0.00 0.07 0.43 4.81 -1.89 -3.16 114.58 124.25 1sa5 h GLU 274 Ca -0.25 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 58.97 1sa5 h GLU 274 Cb 1.06 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.45 1sa5 h GLU 274 CO 1.13 0.03 -0.03 0.77 -0.73 0.00 0.00 179.01 180.18 1sa5 h SER 275 N 0.00 -0.08 -0.34 1.04 0.02 -1.91 -0.88 113.55 111.41 1sa5 h SER 275 Ca -0.00 -0.00 0.06 0.00 -0.84 0.00 0.00 61.79 61.01 1sa5 h SER 275 Cb 0.09 0.02 -0.06 0.00 0.14 0.00 0.00 62.40 62.60 1sa5 h SER 275 CO 0.00 -0.05 -0.05 0.00 -1.14 0.00 0.00 176.83 175.60 1sa5 h ALA 276 N 0.84 0.26 -0.54 3.77 0.00 -1.85 0.25 119.26 121.99 1sa5 h ALA 276 Ca -0.01 0.12 0.04 0.00 0.00 0.00 0.00 54.91 55.06 1sa5 h ALA 276 Cb 0.07 0.21 -0.04 0.00 0.00 0.00 0.00 17.79 18.03 1sa5 h ALA 276 CO 0.02 -0.44 0.30 -1.49 0.00 0.00 0.00 179.25 177.64 1sa5 h TRP 277 N 0.04 0.55 -0.22 0.00 4.06 -1.59 -0.35 115.95 118.45 1sa5 h TRP 277 Ca 0.16 0.02 -0.09 0.00 2.06 0.00 0.00 58.89 61.04 1sa5 h TRP 277 Cb 0.24 -0.17 -0.01 0.00 -1.00 0.00 0.00 29.16 28.22 1sa5 h TRP 277 CO -0.28 0.28 -0.25 -0.91 -3.56 0.00 0.00 178.44 173.72 1sa5 h ASN 278 N 0.57 0.40 -0.14 -3.49 2.35 -0.56 -1.91 115.58 112.82 1sa5 h ASN 278 Ca 0.23 -0.13 -0.02 0.00 -0.55 0.00 0.00 56.30 55.83 1sa5 h ASN 278 Cb 0.11 -0.11 -0.01 0.00 0.05 0.00 0.00 38.32 38.36 1sa5 h ASN 278 CO -0.14 0.66 0.01 0.22 -1.65 0.00 0.00 177.43 176.52 1sa5 h TYR 279 N 0.36 0.26 -0.78 1.19 3.20 -0.38 0.10 116.97 120.91 1sa5 h TYR 279 Ca 0.05 -0.04 0.07 0.00 3.14 0.00 0.00 58.73 61.95 1sa5 h TYR 279 Cb 0.64 -0.07 -0.06 0.00 1.54 0.00 0.00 36.73 38.78 1sa5 h TYR 279 CO 0.02 0.46 0.46 1.25 -1.64 0.00 0.00 178.16 178.71 1sa5 h LEU 280 N -0.02 0.70 -0.46 2.82 5.85 -0.87 -1.20 115.31 122.13 1sa5 h LEU 280 Ca 0.04 0.03 -0.16 0.00 0.84 0.00 0.00 57.88 58.63 1sa5 h LEU 280 Cb 0.35 -0.11 -0.01 0.00 0.37 0.00 0.00 40.66 41.26 1sa5 h LEU 280 CO 0.01 0.44 -0.46 0.50 -0.34 0.00 0.00 178.44 178.58 1sa5 h LYS 281 N 0.83 0.76 -0.52 1.25 3.64 -1.21 -3.20 116.57 118.12 1sa5 h LYS 281 Ca 0.35 -0.43 -0.00 0.00 -1.27 0.00 0.00 60.65 59.30 1sa5 h LYS 281 Cb 0.22 0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 32.05 1sa5 h LYS 281 CO -0.19 1.06 0.31 0.78 -2.27 0.00 0.00 179.45 179.14 1sa5 h GLY 282 N 0.88 0.75 1.92 5.01 0.00 0.22 0.91 103.07 112.76 1sa5 h GLY 282 Ca 0.03 -0.31 0.00 0.00 0.00 0.00 0.00 47.33 47.06 1sa5 h GLY 282 CO 0.10 0.30 0.00 0.29 0.00 0.00 0.00 176.54 177.23 1sa5 n ILE 283 N -4.69 0.01 -0.01 2.60 -5.35 -0.55 -3.94 119.36 107.43 1sa5 n ILE 283 Ca 0.03 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.51 1sa5 n ILE 283 Cb 0.05 -0.50 -0.05 0.00 -1.74 0.00 0.00 39.64 37.40 1sa5 n ILE 283 CO 0.00 0.00 0.00 0.18 -1.76 0.00 0.00 176.55 174.97 1sa5 n LEU 284 N -1.46 0.00 0.27 7.28 4.77 -1.12 -4.72 117.00 122.02 1sa5 n LEU 284 Ca 0.08 0.00 0.11 0.00 -0.03 0.00 0.00 56.01 56.17 1sa5 n LEU 284 Cb 0.32 0.06 0.75 0.00 -2.33 0.00 0.00 43.42 42.22 1sa5 n LEU 284 CO 0.26 0.06 1.06 0.06 -1.33 0.00 0.00 177.39 177.50 1sa5 h GLN 285 N 0.00 0.00 -0.12 3.23 3.07 -0.94 -2.10 115.11 118.25 1sa5 h GLN 285 Ca -0.07 0.00 -0.17 0.00 0.09 0.00 0.00 58.65 58.50 1sa5 h GLN 285 Cb 0.76 0.00 0.01 0.00 0.08 0.00 0.00 27.48 28.33 1sa5 h GLN 285 CO 0.00 0.04 -0.57 -0.44 0.09 0.00 0.00 178.83 177.95 1sa5 h ASP 286 N 0.00 0.71 1.41 0.06 3.32 -1.83 -2.99 116.42 117.10 1sa5 h ASP 286 Ca -0.00 -0.64 -0.01 0.00 0.02 0.00 0.00 57.03 56.41 1sa5 h ASP 286 Cb 0.08 -0.21 -0.00 0.00 0.22 0.00 0.00 39.33 39.42 1sa5 h ASP 286 CO 0.01 1.23 -0.02 0.03 -1.72 0.00 0.00 179.24 178.76 1sa5 h ARG 287 N 0.23 0.00 0.00 3.56 2.47 -1.85 -3.48 114.38 115.32 1sa5 h ARG 287 Ca -0.04 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.68 1sa5 h ARG 287 Cb 1.21 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.53 1sa5 h ARG 287 CO 0.12 0.02 0.00 0.41 0.56 0.00 0.00 179.97 181.08 1sa5 n GLY 288 N 0.48 2.59 0.34 0.04 0.00 -0.80 -4.75 105.19 103.09 1sa5 n GLY 288 Ca 0.02 -1.24 -0.05 0.00 0.00 0.00 0.00 46.02 44.75 1sa5 n GLY 288 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1sa5 h LEU 289 N 0.00 1.07 -1.06 0.99 3.38 -1.78 -2.15 115.31 115.75 1sa5 h LEU 289 Ca 0.00 -0.15 0.00 0.00 0.09 0.00 0.00 57.88 57.82 1sa5 h LEU 289 Cb 0.00 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 40.47 1sa5 h LEU 289 CO 0.00 0.93 0.00 -1.54 0.09 0.00 0.00 178.44 177.92 1sa5 n SER 290 N -4.29 0.66 0.19 -0.43 3.41 -1.26 -1.84 113.62 110.06 1sa5 n SER 290 Ca 0.07 0.72 0.14 0.00 -0.26 0.00 0.00 58.87 59.54 1sa5 n SER 290 Cb 0.17 -0.84 0.62 0.00 -0.26 0.00 0.00 64.21 63.90 1sa5 n SER 290 CO 0.00 0.00 0.00 -0.09 -0.16 0.00 0.00 175.04 174.79 1sa5 h ARG 291 N 0.00 0.00 -3.32 4.33 2.43 -1.68 -3.34 114.38 112.80 1sa5 h ARG 291 Ca 0.00 0.00 -0.66 0.00 -0.81 0.00 0.00 59.98 58.51 1sa5 h ARG 291 Cb 0.22 0.00 -0.39 0.00 -0.42 0.00 0.00 29.97 29.38 1sa5 h ARG 291 CO 0.00 0.00 -0.44 0.71 -1.51 0.00 0.00 179.97 178.73 1sa5 s TYR 292 N -3.51 3.50 0.48 2.20 1.51 -0.77 -4.97 117.35 115.78 1sa5 s TYR 292 Ca 0.02 -3.09 0.20 0.00 -1.01 0.00 0.00 57.07 53.19 1sa5 s TYR 292 Cb 0.09 -2.97 1.22 0.00 -0.11 0.00 0.00 41.96 40.19 1sa5 s TYR 292 CO 0.40 -0.71 1.96 -1.00 -1.11 0.00 0.00 175.55 175.10 1sa5 h PRO 293 N 6.20 0.20 0.00 -1.71 0.13 -1.82 -2.61 132.00 132.39 1sa5 h PRO 293 Ca 0.05 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 65.17 1sa5 h PRO 293 Cb 0.85 -0.05 0.00 0.00 0.13 0.00 0.00 31.00 31.93 1sa5 h PRO 293 CO 0.74 0.13 0.00 -0.91 -0.23 0.00 0.00 178.00 177.73 1sa5 h ASN 294 N 0.21 0.00 0.39 1.44 2.35 -1.95 -3.36 115.58 114.66 1sa5 h ASN 294 Ca 0.30 0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 56.05 1sa5 h ASN 294 Cb 0.91 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 39.25 1sa5 h ASN 294 CO -0.06 0.00 -0.40 0.25 -1.65 0.00 0.00 177.43 175.57 1sa5 h LEU 295 N 0.00 -1.09 -0.44 1.61 5.85 -1.84 -2.30 115.31 117.11 1sa5 h LEU 295 Ca 0.00 0.09 0.05 0.00 0.84 0.00 0.00 57.88 58.86 1sa5 h LEU 295 Cb 0.84 0.36 -0.08 0.00 0.37 0.00 0.00 40.66 42.15 1sa5 h LEU 295 CO 0.00 -0.55 -0.56 0.25 -0.34 0.00 0.00 178.44 177.25 1sa5 h LEU 296 N -0.81 -1.87 -0.88 2.25 5.85 -1.76 -0.24 115.31 117.85 1sa5 h LEU 296 Ca -0.03 0.25 0.11 0.00 0.84 0.00 0.00 57.88 59.05 1sa5 h LEU 296 Cb 0.73 0.77 -0.08 0.00 0.37 0.00 0.00 40.66 42.45 1sa5 h LEU 296 CO -0.07 -0.39 0.51 0.78 -0.34 0.00 0.00 178.44 178.92 1sa5 h ASN 297 N -0.38 0.71 0.46 1.25 2.35 -1.76 0.51 115.58 118.72 1sa5 h ASN 297 Ca 0.08 0.06 -0.07 0.00 -0.55 0.00 0.00 56.30 55.82 1sa5 h ASN 297 Cb 0.59 -0.07 -0.01 0.00 0.05 0.00 0.00 38.32 38.87 1sa5 h ASN 297 CO -0.62 0.37 -0.34 1.56 -1.65 0.00 0.00 177.43 176.76 1sa5 h GLN 298 N 0.80 0.00 0.16 0.81 4.20 -0.61 -1.96 115.11 118.51 1sa5 h GLN 298 Ca 0.44 0.00 -0.29 0.00 0.06 0.00 0.00 58.65 58.86 1sa5 h GLN 298 Cb 0.47 0.00 0.03 0.00 0.30 0.00 0.00 27.48 28.28 1sa5 h GLN 298 CO -0.28 0.34 -1.23 -0.07 -0.67 0.00 0.00 178.83 176.92 1sa5 h LEU 299 N 0.00 0.81 -1.98 1.46 3.38 0.44 -3.16 115.31 116.26 1sa5 h LEU 299 Ca -0.00 -0.86 0.03 0.00 0.09 0.00 0.00 57.88 57.13 1sa5 h LEU 299 Cb 0.66 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 41.15 1sa5 h LEU 299 CO 0.04 1.60 0.09 -0.07 0.09 0.00 0.00 178.44 180.19 1sa5 h LEU 300 N 0.14 0.02 -1.83 1.67 3.38 -0.72 0.36 115.31 118.32 1sa5 h LEU 300 Ca -0.20 -0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.75 1sa5 h LEU 300 Cb 1.93 -0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.66 1sa5 h LEU 300 CO 0.23 0.01 0.02 0.47 0.09 0.00 0.00 178.44 179.27 1sa5 n ASP 301 N -4.51 2.55 0.00 -0.43 8.00 -0.76 -2.82 116.55 118.58 1sa5 n ASP 301 Ca -0.00 -2.07 0.00 0.00 0.71 0.00 0.00 54.79 53.43 1sa5 n ASP 301 Cb 0.19 -0.51 0.00 0.00 -0.02 0.00 0.00 41.12 40.78 1sa5 n ASP 301 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 1sa5 n LEU 302 N 0.32 0.00 -0.30 0.64 4.77 0.11 -4.79 117.00 117.74 1sa5 n LEU 302 Ca 0.02 0.00 0.12 0.00 -0.03 0.00 0.00 56.01 56.13 1sa5 n LEU 302 Cb 0.48 0.00 0.29 0.00 -2.33 0.00 0.00 43.42 41.87 1sa5 n LEU 302 CO 0.02 0.00 1.02 1.56 -1.33 0.00 0.00 177.39 178.67 1sa5 h GLN 303 N 0.00 0.36 -0.27 3.23 4.20 -1.49 0.74 115.11 121.88 1sa5 h GLN 303 Ca 0.00 -0.02 0.03 0.00 0.06 0.00 0.00 58.65 58.71 1sa5 h GLN 303 Cb 0.43 -0.08 -0.04 0.00 0.30 0.00 0.00 27.48 28.10 1sa5 h GLN 303 CO 0.00 0.24 -0.20 -1.35 -0.67 0.00 0.00 178.83 176.84 1sa5 h PRO 304 N 0.37 -0.05 0.00 1.46 0.11 -1.87 -3.32 132.00 128.69 1sa5 h PRO 304 Ca 0.55 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.66 1sa5 h PRO 304 Cb 1.03 0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.16 1sa5 h PRO 304 CO -0.54 -0.04 -0.64 -1.13 -0.21 0.00 0.00 178.00 175.44 1sa5 n SER 305 N -3.73 1.46 -1.97 -2.05 3.41 -0.99 -4.72 113.62 105.03 1sa5 n SER 305 Ca -0.00 0.24 -0.04 0.00 -0.26 0.00 0.00 58.87 58.81 1sa5 n SER 305 Cb 0.10 -0.60 -0.06 0.00 -0.26 0.00 0.00 64.21 63.39 1sa5 n SER 305 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 1sa5 n HIS 306 N -3.95 0.00 -2.36 7.33 8.25 0.22 -4.91 115.22 119.80 1sa5 n HIS 306 Ca -0.09 -0.79 -0.26 0.00 -0.26 0.00 0.00 57.72 56.32 1sa5 n HIS 306 Cb 0.33 -0.81 0.04 0.00 1.12 0.00 0.00 29.99 30.67 1sa5 n HIS 306 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 1sa5 s SER 307 N 2.21 5.33 -0.20 0.41 0.15 -1.14 -4.56 113.70 115.91 1sa5 s SER 307 Ca 0.23 0.58 -0.36 0.00 0.70 0.00 0.00 55.95 57.10 1sa5 s SER 307 Cb 0.11 -1.46 0.14 0.00 -1.71 0.00 0.00 66.02 63.11 1sa5 s SER 307 CO 0.00 -1.23 1.31 -0.94 1.20 0.00 0.00 173.24 173.58 1sa5 s SER 308 N -4.38 -0.06 0.30 5.45 1.04 -1.26 -4.85 113.70 109.94 1sa5 s SER 308 Ca 0.56 -0.02 0.23 0.00 0.48 0.00 0.00 55.95 57.20 1sa5 s SER 308 Cb -0.11 0.08 1.08 0.00 0.10 0.00 0.00 66.02 67.18 1sa5 s SER 308 CO 0.44 -0.14 1.70 -0.81 0.98 0.00 0.00 173.24 175.42 1sa5 n PRO 309 N -0.15 0.18 -0.04 4.02 -0.04 -1.26 -2.19 135.00 135.52 1sa5 n PRO 309 Ca 0.00 0.52 -0.14 0.00 -0.04 0.00 0.00 63.50 63.84 1sa5 n PRO 309 Cb 0.59 -1.92 -0.09 0.00 -0.04 0.00 0.00 33.50 32.03 1sa5 n PRO 309 CO 0.00 0.00 0.00 1.88 -0.04 0.00 0.00 175.50 177.34 1sa5 h TYR 310 N 0.00 0.27 -0.85 0.54 -1.99 -1.93 -1.89 116.97 111.12 1sa5 h TYR 310 Ca 0.00 -0.10 -0.02 0.00 2.00 0.00 0.00 58.73 60.61 1sa5 h TYR 310 Cb 0.22 -0.05 -0.04 0.00 2.00 0.00 0.00 36.73 38.86 1sa5 h TYR 310 CO 0.00 0.76 0.45 1.25 -0.00 0.00 0.00 178.16 180.62 1sa5 h LEU 311 N -0.29 1.07 -0.59 3.88 6.46 -1.80 -1.19 115.31 122.85 1sa5 h LEU 311 Ca -0.00 -0.11 -0.05 0.00 -0.12 0.00 0.00 57.88 57.60 1sa5 h LEU 311 Cb 0.75 -0.27 -0.03 0.00 -0.73 0.00 0.00 40.66 40.38 1sa5 h LEU 311 CO 0.03 0.87 0.19 0.40 -0.62 0.00 0.00 178.44 179.31 1sa5 h ILE 312 N 1.19 1.24 -0.44 4.05 2.04 -1.53 -1.35 117.51 122.71 1sa5 h ILE 312 Ca 0.30 -0.81 -0.05 0.00 1.00 0.00 0.00 64.86 65.29 1sa5 h ILE 312 Cb 0.05 0.65 -0.02 0.00 -0.74 0.00 0.00 36.82 36.76 1sa5 h ILE 312 CO -0.05 0.31 0.05 0.00 0.00 0.00 0.00 178.15 178.46 1sa5 h ALA 313 N 1.06 1.25 -0.22 1.87 0.00 -0.91 -2.21 119.26 120.09 1sa5 h ALA 313 Ca 0.19 -0.22 -0.03 0.00 0.00 0.00 0.00 54.91 54.86 1sa5 h ALA 313 Cb 0.28 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 1sa5 h ALA 313 CO -0.01 0.51 0.03 0.35 0.00 0.00 0.00 179.25 180.13 1sa5 h PHE 314 N 0.66 0.40 -0.68 0.00 3.57 -0.81 -1.97 116.94 118.12 1sa5 h PHE 314 Ca 0.14 -0.06 0.13 0.00 3.53 0.00 0.00 57.97 61.71 1sa5 h PHE 314 Cb 0.34 -0.11 -0.10 0.00 2.79 0.00 0.00 35.95 38.88 1sa5 h PHE 314 CO 0.02 0.52 0.18 -0.07 -2.23 0.00 0.00 178.31 176.73 1sa5 h LEU 315 N 0.17 0.07 -0.68 0.59 3.38 -0.80 0.22 115.31 118.26 1sa5 h LEU 315 Ca 0.07 0.12 -0.01 0.00 0.09 0.00 0.00 57.88 58.15 1sa5 h LEU 315 Cb 0.34 0.15 -0.03 0.00 0.09 0.00 0.00 40.66 41.21 1sa5 h LEU 315 CO 0.01 0.02 0.40 0.58 0.09 0.00 0.00 178.44 179.54 1sa5 h VAL 316 N 0.30 1.20 -0.39 1.22 2.07 -1.16 -0.79 116.25 118.70 1sa5 h VAL 316 Ca 0.37 -0.45 0.03 0.00 0.82 0.00 0.00 66.70 67.47 1sa5 h VAL 316 Cb 0.57 0.27 -0.03 0.00 -1.52 0.00 0.00 31.29 30.58 1sa5 h VAL 316 CO -0.44 0.21 0.18 0.44 0.02 0.00 0.00 177.57 177.99 1sa5 h ASP 317 N 0.93 0.26 0.12 0.57 3.32 0.10 0.33 116.42 122.05 1sa5 h ASP 317 Ca 0.24 0.02 -0.01 0.00 0.02 0.00 0.00 57.03 57.31 1sa5 h ASP 317 Cb -0.02 -0.02 0.00 0.00 0.22 0.00 0.00 39.33 39.51 1sa5 h ASP 317 CO -0.04 0.19 -0.06 0.40 -1.72 0.00 0.00 179.24 178.01 1sa5 h ILE 318 N 0.38 0.89 -0.56 0.35 2.04 -0.54 -1.41 117.51 118.66 1sa5 h ILE 318 Ca 0.17 -0.04 0.06 0.00 1.00 0.00 0.00 64.86 66.04 1sa5 h ILE 318 Cb 0.09 0.92 -0.05 0.00 -0.74 0.00 0.00 36.82 37.04 1sa5 h ILE 318 CO -0.13 0.01 0.28 1.88 0.00 0.00 0.00 178.15 180.19 1sa5 h TYR 319 N -0.18 0.51 -0.45 1.37 0.99 -0.75 0.24 116.97 118.68 1sa5 h TYR 319 Ca -0.02 0.02 0.05 0.00 2.00 0.00 0.00 58.73 60.78 1sa5 h TYR 319 Cb 0.14 -0.14 -0.04 0.00 1.00 0.00 0.00 36.73 37.68 1sa5 h TYR 319 CO -0.06 0.23 0.20 1.49 -0.00 0.00 0.00 178.16 180.01 1sa5 h GLU 320 N 0.53 0.39 -0.56 4.88 4.81 -0.06 0.86 114.58 125.42 1sa5 h GLU 320 Ca 0.25 -0.02 -0.10 0.00 -0.13 0.00 0.00 59.36 59.36 1sa5 h GLU 320 Cb 0.18 -0.09 -0.02 0.00 0.63 0.00 0.00 28.75 29.46 1sa5 h GLU 320 CO -0.19 0.26 -0.05 0.22 -0.73 0.00 0.00 179.01 178.52 1sa5 h ASP 321 N 0.40 0.99 0.15 1.04 3.58 -0.68 -1.87 116.42 120.04 1sa5 h ASP 321 Ca 0.20 -0.30 0.00 0.00 0.42 0.00 0.00 57.03 57.36 1sa5 h ASP 321 Cb 0.15 -0.27 -0.01 0.00 1.72 0.00 0.00 39.33 40.92 1sa5 h ASP 321 CO -0.17 1.07 -0.15 0.24 -2.88 0.00 0.00 179.24 177.35 1sa5 h MET 322 N 0.91 -0.32 -0.03 0.28 2.86 -0.22 -0.12 114.93 118.28 1sa5 h MET 322 Ca 0.16 0.02 0.01 0.00 -2.06 0.00 0.00 59.70 57.83 1sa5 h MET 322 Cb 0.59 0.07 -0.00 0.00 0.06 0.00 0.00 31.60 32.32 1sa5 h MET 322 CO 0.04 -0.21 0.05 -0.07 1.06 0.00 0.00 176.91 177.77 1sa5 h LEU 323 N -0.33 0.00 -0.02 1.22 3.38 -0.72 0.15 115.31 118.99 1sa5 h LEU 323 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1sa5 h LEU 323 Cb 0.31 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.06 1sa5 h LEU 323 CO -0.04 0.00 -0.04 1.21 0.09 0.00 0.00 178.44 179.66 1sa5 n GLU 324 N -3.64 0.24 -2.44 1.13 4.07 -0.12 -3.57 120.64 116.32 1sa5 n GLU 324 Ca -0.02 -0.02 -0.12 0.00 -0.06 0.00 0.00 57.16 56.93 1sa5 n GLU 324 Cb 0.13 -1.50 0.03 0.00 -0.06 0.00 0.00 31.44 30.05 1sa5 n GLU 324 CO 0.00 0.00 0.00 0.09 -0.06 0.00 0.00 177.13 177.16 1sa5 n ASN 325 N -1.36 3.23 -2.97 4.31 3.02 0.53 -5.03 115.26 116.98 1sa5 n ASN 325 Ca 0.11 -2.88 -0.23 0.00 -0.03 0.00 0.00 54.58 51.55 1sa5 n ASN 325 Cb 0.29 -0.41 0.02 0.00 -0.61 0.00 0.00 39.78 39.07 1sa5 n ASN 325 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1sa5 n GLN 326 N -0.65 -1.21 -2.22 3.52 3.00 -1.15 -4.93 117.38 113.73 1sa5 n GLN 326 Ca 0.25 0.79 -0.26 0.00 -0.01 0.00 0.00 57.00 57.77 1sa5 n GLN 326 Cb 0.88 -1.41 0.10 0.00 0.00 0.00 0.00 30.24 29.81 1sa5 n GLN 326 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1sa5 s ASP 328 N -4.63 7.15 -1.02 0.00 1.01 -1.26 -3.50 116.67 114.42 1sa5 s ASP 328 Ca 0.64 2.11 -0.00 0.00 0.71 0.00 0.00 52.55 56.00 1sa5 s ASP 328 Cb -0.08 -2.61 -0.00 0.00 1.01 0.00 0.00 42.92 41.24 1sa5 s ASP 328 CO 0.46 -0.22 0.85 0.59 0.21 0.00 0.00 175.17 177.07 1sa5 n ASN 329 N 0.73 -2.20 -0.13 0.27 3.02 -1.26 -4.84 115.26 110.86 1sa5 n ASN 329 Ca 0.01 -0.53 -0.12 0.00 -0.03 0.00 0.00 54.58 53.91 1sa5 n ASN 329 Cb 0.47 -4.44 -0.07 0.00 -0.61 0.00 0.00 39.78 35.13 1sa5 n ASN 329 CO 0.00 0.00 0.00 0.50 -2.62 0.00 0.00 177.26 175.14 1sa5 h LYS 330 N -1.59 -0.36 -0.97 3.52 3.64 -1.97 -2.13 116.57 116.71 1sa5 h LYS 330 Ca -0.50 0.02 0.02 0.00 -1.27 0.00 0.00 60.65 58.92 1sa5 h LYS 330 Cb 1.29 0.08 -0.05 0.00 -0.41 0.00 0.00 32.23 33.14 1sa5 h LYS 330 CO 0.42 -0.24 0.64 1.49 -2.27 0.00 0.00 179.45 179.49 1sa5 h GLU 331 N -0.38 1.24 -0.70 1.90 4.81 -1.91 -1.80 114.58 117.75 1sa5 h GLU 331 Ca 0.10 -0.07 -0.03 0.00 -0.13 0.00 0.00 59.36 59.23 1sa5 h GLU 331 Cb 0.60 -0.28 -0.03 0.00 0.63 0.00 0.00 28.75 29.67 1sa5 h GLU 331 CO -0.58 0.82 0.31 0.22 -0.73 0.00 0.00 179.01 179.05 1sa5 h ASP 332 N 1.28 0.92 -0.15 1.04 3.58 -1.81 -2.07 116.42 119.22 1sa5 h ASP 332 Ca 0.37 -0.11 -0.03 0.00 0.42 0.00 0.00 57.03 57.68 1sa5 h ASP 332 Cb -0.09 -0.24 -0.01 0.00 1.72 0.00 0.00 39.33 40.72 1sa5 h ASP 332 CO -0.09 0.80 -0.01 0.40 -2.88 0.00 0.00 179.24 177.46 1sa5 h ILE 333 N 1.00 1.26 0.03 2.25 1.08 -0.91 -2.55 117.51 119.68 1sa5 h ILE 333 Ca 0.24 -0.87 0.03 0.00 -0.39 0.00 0.00 64.86 63.87 1sa5 h ILE 333 Cb 0.14 1.54 -0.05 0.00 -3.07 0.00 0.00 36.82 35.39 1sa5 h ILE 333 CO -0.03 0.26 -0.45 0.25 -0.69 0.00 0.00 178.15 177.49 1sa5 h LEU 334 N -0.00 -1.36 -1.73 1.44 6.46 -1.02 -1.16 115.31 117.94 1sa5 h LEU 334 Ca 0.04 0.16 0.08 0.00 -0.12 0.00 0.00 57.88 58.03 1sa5 h LEU 334 Cb 0.39 0.52 -0.03 0.00 -0.73 0.00 0.00 40.66 40.82 1sa5 h LEU 334 CO 0.01 -0.49 0.32 0.78 -0.62 0.00 0.00 178.44 178.44 1sa5 h ASN 335 N -0.62 0.28 -0.62 1.25 2.35 -1.41 0.16 115.58 116.98 1sa5 h ASN 335 Ca 0.03 0.00 -0.06 0.00 -0.55 0.00 0.00 56.30 55.73 1sa5 h ASN 335 Cb 0.68 -0.06 -0.03 0.00 0.05 0.00 0.00 38.32 38.97 1sa5 h ASN 335 CO -0.31 0.18 0.18 0.11 -1.65 0.00 0.00 177.43 175.94 1sa5 h LYS 336 N 0.32 1.01 -0.15 0.81 1.57 -0.83 -1.96 116.57 117.34 1sa5 h LYS 336 Ca 0.21 -0.22 -0.21 0.00 -1.87 0.00 0.00 60.65 58.57 1sa5 h LYS 336 Cb 0.42 -0.15 0.01 0.00 0.08 0.00 0.00 32.23 32.60 1sa5 h LYS 336 CO -0.05 0.88 -0.71 0.00 -0.57 0.00 0.00 179.45 179.01 1sa5 h ALA 337 N 1.22 0.29 -0.03 3.86 0.00 0.34 -2.83 119.26 122.11 1sa5 h ALA 337 Ca 0.21 -0.58 -0.07 0.00 0.00 0.00 0.00 54.91 54.48 1sa5 h ALA 337 Cb 0.32 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 1sa5 h ALA 337 CO -0.00 0.62 -0.29 -0.07 0.00 0.00 0.00 179.25 179.50 1sa5 h LEU 338 N 0.46 0.05 -0.24 0.00 3.38 -0.75 0.77 115.31 118.98 1sa5 h LEU 338 Ca -0.05 -0.01 -0.19 0.00 0.09 0.00 0.00 57.88 57.72 1sa5 h LEU 338 Cb 1.34 -0.01 -0.02 0.00 0.09 0.00 0.00 40.66 42.06 1sa5 h LEU 338 CO 0.15 0.34 -0.90 1.05 0.09 0.00 0.00 178.44 179.17 1sa5 h GLU 339 N 0.05 0.09 -0.15 1.13 4.11 -1.36 -2.56 114.58 115.89 1sa5 h GLU 339 Ca 0.01 -0.11 -0.17 0.00 0.07 0.00 0.00 59.36 59.16 1sa5 h GLU 339 Cb 0.54 0.03 0.01 0.00 0.50 0.00 0.00 28.75 29.83 1sa5 h GLU 339 CO 0.04 0.92 -0.57 -0.07 0.07 0.00 0.00 179.01 179.40 1sa5 h LEU 340 N 0.04 0.76 -0.50 3.06 3.38 -1.18 -0.67 115.31 120.20 1sa5 h LEU 340 Ca -0.03 -0.61 0.06 0.00 0.09 0.00 0.00 57.88 57.39 1sa5 h LEU 340 Cb 1.56 -0.22 -0.05 0.00 0.09 0.00 0.00 40.66 42.03 1sa5 h LEU 340 CO 0.13 1.25 0.20 0.00 0.09 0.00 0.00 178.44 180.11 1sa5 h GLU 342 N 0.40 0.79 -0.86 0.00 4.57 -1.42 0.11 114.58 118.18 1sa5 h GLU 342 Ca 0.24 -0.30 0.07 0.00 -1.18 0.00 0.00 59.36 58.19 1sa5 h GLU 342 Cb 0.22 -0.05 -0.06 0.00 -0.16 0.00 0.00 28.75 28.71 1sa5 h GLU 342 CO -0.22 0.91 0.56 0.82 -1.18 0.00 0.00 179.01 179.90 1sa5 h ILE 343 N 0.61 1.05 -0.02 2.32 2.04 -0.52 0.72 117.51 123.71 1sa5 h ILE 343 Ca 0.11 -0.32 -0.04 0.00 1.00 0.00 0.00 64.86 65.60 1sa5 h ILE 343 Cb 0.61 0.02 0.00 0.00 -0.74 0.00 0.00 36.82 36.71 1sa5 h ILE 343 CO 0.04 0.17 -0.14 -0.07 0.00 0.00 0.00 178.15 178.15 1sa5 h LEU 344 N 0.95 0.16 -1.83 1.44 3.38 -0.73 0.24 115.31 118.92 1sa5 h LEU 344 Ca 0.37 -0.69 -0.02 0.00 0.09 0.00 0.00 57.88 57.63 1sa5 h LEU 344 Cb 0.23 -0.05 -0.00 0.00 0.09 0.00 0.00 40.66 40.93 1sa5 h LEU 344 CO -0.14 0.82 -0.10 0.00 0.09 0.00 0.00 178.44 179.11 1sa5 h ALA 345 N 0.34 1.16 -0.00 1.53 0.00 -0.44 0.55 119.26 122.41 1sa5 h ALA 345 Ca -0.01 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.80 1sa5 h ALA 345 Cb 0.83 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.60 1sa5 h ALA 345 CO 0.03 0.13 -0.06 1.63 0.00 0.00 0.00 179.25 180.97 1sa5 n LYS 346 N -3.45 4.93 0.13 0.00 5.02 0.22 -4.45 118.16 120.56 1sa5 n LYS 346 Ca -0.01 -0.13 0.00 0.00 -2.02 0.00 0.00 58.31 56.15 1sa5 n LYS 346 Cb 0.26 -0.68 0.00 0.00 -0.02 0.00 0.00 35.03 34.59 1sa5 n LYS 346 CO 0.00 0.00 0.00 -1.91 -0.52 0.00 0.00 177.40 174.97 1sa5 n GLU 347 N -0.80 0.00 0.09 1.97 2.13 0.13 -4.92 120.64 119.24 1sa5 n GLU 347 Ca 0.00 0.00 -0.07 0.00 0.66 0.00 0.00 57.16 57.76 1sa5 n GLU 347 Cb 0.03 0.00 0.05 0.00 0.27 0.00 0.00 31.44 31.79 1sa5 n GLU 347 CO 0.00 0.00 0.00 0.87 -0.41 0.00 0.00 177.13 177.59 1sa5 h LYS 348 N 0.00 0.21 -1.42 5.31 6.56 -0.69 -3.40 116.57 123.14 1sa5 h LYS 348 Ca 0.00 -0.18 -0.42 0.00 -1.06 0.00 0.00 60.65 58.99 1sa5 h LYS 348 Cb 0.00 0.04 -0.33 0.00 -0.57 0.00 0.00 32.23 31.38 1sa5 h LYS 348 CO 0.00 0.86 -0.97 -3.47 -2.06 0.00 0.00 179.45 173.81 1sa5 n ASP 349 N -3.75 -0.19 0.22 0.86 2.03 0.19 -4.74 116.55 111.17 1sa5 n ASP 349 Ca -0.03 -3.16 0.05 0.00 0.52 0.00 0.00 54.79 52.18 1sa5 n ASP 349 Cb 0.72 0.12 0.51 0.00 -0.72 0.00 0.00 41.12 41.75 1sa5 n ASP 349 CO 0.00 0.00 0.00 0.71 -1.92 0.00 0.00 177.20 175.99 1sa5 h THR 350 N 1.69 1.12 -0.04 5.18 1.35 -1.66 -2.49 112.91 118.06 1sa5 h THR 350 Ca 0.04 -0.55 0.01 0.00 -0.55 0.00 0.00 66.41 65.35 1sa5 h THR 350 Cb 0.99 1.29 -0.00 0.00 -1.73 0.00 0.00 68.15 68.70 1sa5 h THR 350 CO 0.40 0.16 0.08 -0.29 -0.25 0.00 0.00 175.52 175.61 1sa5 h ILE 351 N 0.01 0.29 -0.42 6.82 6.09 -1.90 0.16 117.51 128.57 1sa5 h ILE 351 Ca 0.00 0.00 -0.05 0.00 -1.37 0.00 0.00 64.86 63.44 1sa5 h ILE 351 Cb 0.28 0.93 -0.03 0.00 0.47 0.00 0.00 36.82 38.48 1sa5 h ILE 351 CO 0.02 0.00 0.04 0.54 -3.07 0.00 0.00 178.15 175.68 1sa5 n ARG 352 N -3.50 3.46 -0.30 2.19 1.74 -0.94 -4.74 116.66 114.58 1sa5 n ARG 352 Ca -0.02 -2.99 0.12 0.00 -0.77 0.00 0.00 57.85 54.19 1sa5 n ARG 352 Cb 0.16 -2.01 0.29 0.00 -1.02 0.00 0.00 32.46 29.88 1sa5 n ARG 352 CO 0.00 0.00 0.00 1.57 -1.52 0.00 0.00 177.63 177.68 1sa5 h LYS 353 N 2.42 0.33 -0.73 5.56 2.10 -0.74 0.53 116.57 126.03 1sa5 h LYS 353 Ca 0.06 -0.02 -0.04 0.00 -2.00 0.00 0.00 60.65 58.65 1sa5 h LYS 353 Cb 1.74 -0.07 -0.03 0.00 -0.90 0.00 0.00 32.23 32.96 1sa5 h LYS 353 CO 0.38 0.22 0.30 0.93 -2.00 0.00 0.00 179.45 179.28 1sa5 h GLU 354 N 0.34 1.09 0.49 0.07 4.39 -1.85 -1.17 114.58 117.94 1sa5 h GLU 354 Ca 0.54 -0.19 -0.02 0.00 0.34 0.00 0.00 59.36 60.03 1sa5 h GLU 354 Cb 1.04 -0.18 0.00 0.00 -0.10 0.00 0.00 28.75 29.51 1sa5 h GLU 354 CO -0.56 0.88 -0.24 -0.92 -1.16 0.00 0.00 179.01 177.02 1sa5 h TYR 355 N 1.05 -0.61 -0.91 4.33 3.20 -1.31 -2.10 116.97 120.61 1sa5 h TYR 355 Ca 0.25 -0.01 0.07 0.00 3.14 0.00 0.00 58.73 62.17 1sa5 h TYR 355 Cb 0.19 0.20 -0.06 0.00 1.54 0.00 0.00 36.73 38.61 1sa5 h TYR 355 CO 0.02 -0.32 0.59 -1.49 -1.64 0.00 0.00 178.16 175.32 1sa5 h TRP 356 N -0.82 1.05 -0.10 -3.82 -0.00 -1.22 0.14 115.95 111.18 1sa5 h TRP 356 Ca -0.07 0.03 -0.08 0.00 -0.00 0.00 0.00 58.89 58.77 1sa5 h TRP 356 Cb 0.57 -0.35 -0.01 0.00 -0.00 0.00 0.00 29.16 29.38 1sa5 h TRP 356 CO -0.01 0.55 -0.30 0.00 -0.00 0.00 0.00 178.44 178.67 1sa5 h ARG 357 N 1.03 0.19 -0.07 0.49 2.47 -1.17 0.48 114.38 117.80 1sa5 h ARG 357 Ca 0.39 -0.07 -0.02 0.00 -1.26 0.00 0.00 59.98 59.03 1sa5 h ARG 357 Cb 0.21 -0.01 -0.00 0.00 -1.65 0.00 0.00 29.97 28.51 1sa5 h ARG 357 CO -0.15 0.48 -0.02 -0.92 0.56 0.00 0.00 179.97 179.92 1sa5 h TYR 358 N 0.17 0.15 -0.88 3.04 3.20 -0.32 -0.84 116.97 121.49 1sa5 h TYR 358 Ca 0.02 -0.03 0.01 0.00 3.14 0.00 0.00 58.73 61.86 1sa5 h TYR 358 Cb 0.63 -0.04 -0.04 0.00 1.54 0.00 0.00 36.73 38.82 1sa5 h TYR 358 CO 0.01 0.47 0.57 0.82 -1.64 0.00 0.00 178.16 178.39 1sa5 h ILE 359 N -0.21 1.23 -0.21 1.81 1.08 -0.89 0.21 117.51 120.53 1sa5 h ILE 359 Ca 0.02 -0.44 0.04 0.00 -0.39 0.00 0.00 64.86 64.09 1sa5 h ILE 359 Cb 0.42 -0.05 -0.04 0.00 -3.07 0.00 0.00 36.82 34.09 1sa5 h ILE 359 CO 0.01 0.23 -0.05 1.23 -0.69 0.00 0.00 178.15 178.87 1sa5 h GLY 360 N 1.19 0.15 0.90 5.37 0.00 -0.70 0.55 103.07 110.54 1sa5 h GLY 360 Ca 0.32 0.07 -0.01 0.00 0.00 0.00 0.00 47.33 47.71 1sa5 h GLY 360 CO -0.07 -0.08 -0.11 3.21 0.00 0.00 0.00 176.54 179.49 1sa5 h ARG 361 N -0.00 -0.31 -0.29 4.80 -0.00 -0.45 -2.77 114.38 115.37 1sa5 h ARG 361 Ca 0.10 0.02 0.05 0.00 -0.50 0.00 0.00 59.98 59.65 1sa5 h ARG 361 Cb 0.16 0.07 -0.08 0.00 0.00 0.00 0.00 29.97 30.12 1sa5 h ARG 361 CO -0.22 -0.13 -0.49 0.77 0.00 0.00 0.00 179.97 179.90 1sa5 h SER 362 N -0.43 -1.61 -0.94 7.04 0.02 -0.24 0.73 113.55 118.13 1sa5 h SER 362 Ca -0.03 0.21 0.17 0.00 -0.84 0.00 0.00 61.79 61.30 1sa5 h SER 362 Cb 0.32 0.66 -0.08 0.00 0.14 0.00 0.00 62.40 63.45 1sa5 h SER 362 CO 0.05 -0.42 0.60 -0.07 -1.14 0.00 0.00 176.83 175.85 1sa5 h LEU 363 N -0.44 0.64 0.20 5.07 3.38 -0.91 -1.55 115.31 121.70 1sa5 h LEU 363 Ca 0.08 0.06 -0.27 0.00 0.09 0.00 0.00 57.88 57.83 1sa5 h LEU 363 Cb 0.62 -0.07 0.03 0.00 0.09 0.00 0.00 40.66 41.34 1sa5 h LEU 363 CO -0.52 0.28 -1.22 -0.61 0.09 0.00 0.00 178.44 176.46 1sa5 h GLN 364 N 0.65 0.43 -0.40 1.13 4.15 -0.97 -1.17 115.11 118.93 1sa5 h GLN 364 Ca 0.49 -0.73 0.11 0.00 0.77 0.00 0.00 58.65 59.30 1sa5 h GLN 364 Cb 0.88 0.27 -0.02 0.00 0.21 0.00 0.00 27.48 28.83 1sa5 h GLN 364 CO -0.25 1.35 0.50 1.03 -1.93 0.00 0.00 178.83 179.53 1sa5 h SER 365 N -0.09 0.00 0.00 -0.69 0.87 0.14 -2.87 113.55 110.91 1sa5 h SER 365 Ca -0.22 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.34 1sa5 h SER 365 Cb 1.94 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.90 1sa5 h SER 365 CO 0.21 0.00 0.00 2.29 -0.53 0.00 0.00 176.83 178.80 1sa5 n LYS 366 N -3.54 0.17 0.00 2.24 2.85 -0.80 -4.85 118.16 114.24 1sa5 n LYS 366 Ca 0.07 -0.49 0.00 0.00 -1.05 0.00 0.00 58.31 56.84 1sa5 n LYS 366 Cb 0.66 -0.74 0.00 0.00 -0.65 0.00 0.00 35.03 34.31 1sa5 n LYS 366 CO 0.00 0.00 0.00 0.72 -0.05 0.00 0.00 177.40 178.07 1sa5 n HIS 367 N -0.08 0.00 -2.22 5.58 8.25 -0.44 -4.94 115.22 121.36 1sa5 n HIS 367 Ca 0.00 -0.16 -0.33 0.00 -0.26 0.00 0.00 57.72 56.97 1sa5 n HIS 367 Cb 0.22 -0.02 -0.01 0.00 1.12 0.00 0.00 29.99 31.31 1sa5 n HIS 367 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 1sa5 s SER 368 N -0.32 5.98 0.60 0.41 1.04 -1.10 -4.80 113.70 115.51 1sa5 s SER 368 Ca 0.00 1.87 0.30 0.00 0.48 0.00 0.00 55.95 58.59 1sa5 s SER 368 Cb 0.00 -2.54 1.72 0.00 0.10 0.00 0.00 66.02 65.29 1sa5 s SER 368 CO 0.00 -1.03 2.12 0.08 0.98 0.00 0.00 173.24 175.39 1sa5 h ARG 369 N 0.85 0.00 -0.13 4.02 0.11 -1.97 0.20 114.38 117.46 1sa5 h ARG 369 Ca -0.48 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.60 1sa5 h ARG 369 Cb 1.22 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.30 1sa5 h ARG 369 CO 0.58 0.00 0.00 0.39 0.10 0.00 0.00 179.97 181.04 1sa5 n GLU 370 N -3.71 1.91 -0.09 0.08 -0.58 -1.26 -4.36 120.64 112.63 1sa5 n GLU 370 Ca 0.01 -1.35 -0.01 0.00 -0.42 0.00 0.00 57.16 55.39 1sa5 n GLU 370 Cb 0.30 -1.45 0.26 0.00 -0.57 0.00 0.00 31.44 29.98 1sa5 n GLU 370 CO 0.00 0.00 0.00 0.77 -0.48 0.00 0.00 177.13 177.42 1sa5 h SER 371 N 2.98 0.66 -0.31 1.62 0.02 -0.93 -2.90 113.55 114.70 1sa5 h SER 371 Ca 0.00 -0.09 -0.14 0.00 -0.84 0.00 0.00 61.79 60.72 1sa5 h SER 371 Cb 0.64 -0.17 -0.09 0.00 0.14 0.00 0.00 62.40 62.93 1sa5 h SER 371 CO 0.00 0.62 -0.10 -0.90 -1.14 0.00 0.00 176.83 175.31 1sa5 n ASP 372 N -4.33 2.57 -4.47 3.07 5.75 -1.26 -4.98 116.55 112.90 1sa5 n ASP 372 Ca 0.04 -3.68 -0.36 0.00 -0.01 0.00 0.00 54.79 50.78 1sa5 n ASP 372 Cb 0.17 -0.61 -0.12 0.00 -1.03 0.00 0.00 41.12 39.53 1sa5 n ASP 372 CO 0.00 0.00 0.00 -0.63 -0.11 0.00 0.00 177.20 176.46 1sa5 s ILE 373 N -3.19 4.22 0.30 2.12 1.01 -1.10 -5.08 121.20 119.48 1sa5 s ILE 373 Ca 0.44 -0.21 -0.26 0.00 0.00 0.00 0.00 60.65 60.61 1sa5 s ILE 373 Cb 0.39 -2.94 -0.14 0.00 0.01 0.00 0.00 42.46 39.78 1sa5 s ILE 373 CO 0.00 0.39 0.75 -2.65 0.00 0.00 0.00 174.94 173.43 1sa5 n PRO 374 N 4.44 0.77 -0.20 2.79 -0.02 -1.26 -4.89 135.00 136.63 1sa5 n PRO 374 Ca -0.17 0.27 0.01 0.00 -2.02 0.00 0.00 63.50 61.59 1sa5 n PRO 374 Cb 0.52 -1.52 0.11 0.00 -0.02 0.00 0.00 33.50 32.59 1sa5 n PRO 374 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1sa5 h ALA 375 N 1.39 0.68 0.00 3.55 0.00 -1.98 -1.77 119.26 121.14 1sa5 h ALA 375 Ca -0.37 0.15 -0.03 0.00 0.00 0.00 0.00 54.91 54.66 1sa5 h ALA 375 Cb 1.38 0.22 -0.00 0.00 0.00 0.00 0.00 17.79 19.39 1sa5 h ALA 375 CO 0.57 -0.33 -0.15 0.66 0.00 0.00 0.00 179.25 180.00 1sa5 h SER 376 N 0.22 0.00 0.00 0.00 4.64 -2.05 -3.56 113.55 112.79 1sa5 h SER 376 Ca 0.32 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.64 1sa5 h SER 376 Cb 0.49 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.58 1sa5 h SER 376 CO -0.43 0.15 0.00 0.52 -0.87 0.00 0.00 176.83 176.20