#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kot s GLU 94 N 0.00 4.07 0.25 -1.09 2.02 -0.62 -4.85 118.70 118.47 3kot s GLU 94 Ca 0.00 0.03 -0.30 0.00 0.02 0.00 0.00 54.97 54.72 3kot s GLU 94 Cb 0.00 -3.60 -0.09 0.00 0.10 0.00 0.00 34.13 30.54 3kot s GLU 94 CO 0.00 -0.16 1.17 0.21 0.02 0.00 0.00 175.26 176.51 3kot s LYS 95 N 1.69 4.54 -0.04 1.61 2.20 -1.26 -0.40 119.74 128.07 3kot s LYS 95 Ca 0.15 1.89 -0.01 0.00 -0.36 0.00 0.00 55.97 57.64 3kot s LYS 95 Cb -0.15 -3.19 0.03 0.00 -1.51 0.00 0.00 37.83 33.00 3kot s LYS 95 CO 0.09 0.02 0.04 -1.17 -0.36 0.00 0.00 175.35 173.97 3kot s LEU 96 N -0.96 0.50 -0.20 5.43 2.96 -0.04 -4.87 118.68 121.50 3kot s LEU 96 Ca 0.49 0.03 -0.03 0.00 -0.22 0.00 0.00 54.13 54.40 3kot s LEU 96 Cb -0.33 -0.19 -0.01 0.00 0.50 0.00 0.00 46.19 46.16 3kot s LEU 96 CO 0.41 -0.20 -0.06 -0.75 -1.32 0.00 0.00 176.35 174.43 3kot s LYS 97 N 1.81 3.40 -0.06 1.98 2.20 -1.26 0.48 119.74 128.30 3kot s LYS 97 Ca 0.01 -0.62 0.00 0.00 -0.36 0.00 0.00 55.97 55.00 3kot s LYS 97 Cb -0.12 -2.95 0.02 0.00 -1.51 0.00 0.00 37.83 33.27 3kot s LYS 97 CO -0.03 -0.10 -0.04 0.42 -0.36 0.00 0.00 175.35 175.24 3kot s ILE 98 N 1.21 0.60 -0.28 5.43 1.01 -0.74 -1.20 121.20 127.23 3kot s ILE 98 Ca 0.03 -0.11 -0.10 0.00 0.00 0.00 0.00 60.65 60.46 3kot s ILE 98 Cb -0.14 -0.64 -0.04 0.00 0.01 0.00 0.00 42.46 41.65 3kot s ILE 98 CO -0.02 0.26 0.16 -0.83 0.00 0.00 0.00 174.94 174.52 3kot s GLY 99 N 1.21 1.89 -0.12 6.18 0.00 -0.72 -1.48 107.32 114.28 3kot s GLY 99 Ca -0.06 -1.17 0.02 0.00 0.00 0.00 0.00 44.72 43.51 3kot s GLY 99 CO -0.02 0.64 -0.19 0.14 0.00 0.00 0.00 173.10 173.67 3kot s VAL 100 N 1.71 2.44 0.17 1.40 1.01 0.13 -0.74 120.40 126.51 3kot s VAL 100 Ca 0.06 -0.87 -0.33 0.00 0.00 0.00 0.00 61.98 60.84 3kot s VAL 100 Cb -0.16 -1.98 -0.13 0.00 0.00 0.00 0.00 36.38 34.11 3kot s VAL 100 CO 0.09 0.54 1.64 0.55 0.00 0.00 0.00 175.10 177.92 3kot n VAL 101 N 3.68 0.04 -0.21 2.92 3.14 -0.26 -1.57 118.33 126.06 3kot n VAL 101 Ca -0.19 -0.01 0.01 0.00 -2.96 0.00 0.00 64.34 61.20 3kot n VAL 101 Cb 0.53 -1.71 0.11 0.00 -1.06 0.00 0.00 33.84 31.70 3kot n VAL 101 CO 0.00 0.00 0.00 1.23 -6.46 0.00 0.00 176.83 171.60 3kot h GLY 102 N 6.41 0.68 1.04 7.55 0.00 -1.57 -0.01 103.07 117.17 3kot h GLY 102 Ca -0.45 0.08 0.07 0.00 0.00 0.00 0.00 47.33 47.03 3kot h GLY 102 CO 0.91 -0.20 0.47 -0.24 0.00 0.00 0.00 176.54 177.49 3kot h VAL 103 N 0.13 1.02 -0.05 4.60 3.04 -1.89 -1.37 116.25 121.73 3kot h VAL 103 Ca 0.33 -0.25 -0.24 0.00 -1.01 0.00 0.00 66.70 65.52 3kot h VAL 103 Cb 0.54 0.21 0.01 0.00 -2.01 0.00 0.00 31.29 30.04 3kot h VAL 103 CO -0.53 0.14 -0.93 0.15 -1.01 0.00 0.00 177.57 175.38 3kot h PHE 104 N 0.74 0.96 0.11 3.17 3.57 -1.42 -1.63 116.94 122.45 3kot h PHE 104 Ca 0.31 -0.49 0.01 0.00 3.53 0.00 0.00 57.97 61.33 3kot h PHE 104 Cb 0.27 -0.12 -0.02 0.00 2.79 0.00 0.00 35.95 38.87 3kot h PHE 104 CO -0.00 1.32 -0.14 0.00 -2.23 0.00 0.00 178.31 177.25 3kot h ALA 105 N 0.53 -0.26 -0.21 2.41 0.00 -0.45 0.32 119.26 121.60 3kot h ALA 105 Ca -0.09 -0.03 -0.18 0.00 0.00 0.00 0.00 54.91 54.61 3kot h ALA 105 Cb 1.57 0.22 -0.00 0.00 0.00 0.00 0.00 17.79 19.58 3kot h ALA 105 CO 0.18 -0.67 -0.59 0.82 0.00 0.00 0.00 179.25 178.99 3kot h ILE 106 N -0.30 1.30 0.00 0.00 1.08 -1.36 0.95 117.51 119.19 3kot h ILE 106 Ca 0.01 -1.82 0.00 0.00 -0.39 0.00 0.00 64.86 62.66 3kot h ILE 106 Cb 0.30 1.77 0.00 0.00 -3.07 0.00 0.00 36.82 35.82 3kot h ILE 106 CO -0.06 0.58 -0.72 1.23 -0.69 0.00 0.00 178.15 178.49 3kot h GLY 107 N 0.89 0.00 0.00 5.37 0.00 -1.23 -3.44 103.07 104.66 3kot h GLY 107 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3kot h GLY 107 CO 0.12 0.00 0.00 0.00 0.00 0.00 0.00 176.54 176.66 3kot h LEU 109 N 0.00 0.49 -0.29 0.00 5.85 -1.10 -3.32 115.31 116.94 3kot h LEU 109 Ca 0.00 -0.30 0.04 0.00 0.84 0.00 0.00 57.88 58.46 3kot h LEU 109 Cb 0.00 -0.13 -0.04 0.00 0.37 0.00 0.00 40.66 40.86 3kot h LEU 109 CO 0.00 0.67 0.06 -0.26 -0.34 0.00 0.00 178.44 178.57 3kot h PHE 110 N 0.30 0.10 -0.33 1.25 0.04 -1.04 -1.00 116.94 116.27 3kot h PHE 110 Ca 0.08 0.02 0.10 0.00 2.80 0.00 0.00 57.97 60.97 3kot h PHE 110 Cb 0.42 -0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.55 3kot h PHE 110 CO 0.03 0.02 0.35 -1.35 -0.60 0.00 0.00 178.31 176.77 3kot h PRO 111 N 0.17 0.00 -0.01 1.51 0.11 -1.81 -2.59 132.00 129.39 3kot h PRO 111 Ca 0.14 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.25 3kot h PRO 111 Cb 0.14 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.25 3kot h PRO 111 CO -0.18 0.00 -0.56 1.28 -0.21 0.00 0.00 178.00 178.33 3kot n LEU 112 N -3.79 1.59 0.02 2.35 4.77 -0.41 -4.54 117.00 116.99 3kot n LEU 112 Ca 0.05 -0.59 0.03 0.00 -0.03 0.00 0.00 56.01 55.46 3kot n LEU 112 Cb 0.50 -0.03 0.39 0.00 -2.33 0.00 0.00 43.42 41.95 3kot n LEU 112 CO 0.28 0.31 1.06 -0.07 -1.33 0.00 0.00 177.39 177.64 3kot h LEU 113 N 1.62 0.44 -1.45 2.23 3.38 -1.06 -1.28 115.31 119.18 3kot h LEU 113 Ca 0.00 -0.04 -0.06 0.00 0.09 0.00 0.00 57.88 57.87 3kot h LEU 113 Cb 0.65 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.28 3kot h LEU 113 CO 0.00 0.41 -0.28 0.77 0.09 0.00 0.00 178.44 179.43 3kot h SER 114 N 0.49 0.00 -0.03 -0.43 4.64 -1.80 -1.51 113.55 114.91 3kot h SER 114 Ca 0.12 0.00 -0.14 0.00 -0.47 0.00 0.00 61.79 61.31 3kot h SER 114 Cb 0.10 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.18 3kot h SER 114 CO -0.01 0.28 -0.42 -0.78 -0.87 0.00 0.00 176.83 175.02 3kot h ASP 115 N 0.00 0.59 -0.38 4.97 3.58 -1.55 -0.59 116.42 123.04 3kot h ASP 115 Ca -0.00 -0.27 -0.02 0.00 0.42 0.00 0.00 57.03 57.16 3kot h ASP 115 Cb 0.51 -0.17 -0.02 0.00 1.72 0.00 0.00 39.33 41.37 3kot h ASP 115 CO 0.04 0.94 0.17 0.15 -2.88 0.00 0.00 179.24 177.66 3kot h PHE 116 N 0.46 0.56 -0.64 0.28 3.57 -1.10 -2.14 116.94 117.93 3kot h PHE 116 Ca 0.04 -0.03 0.01 0.00 3.53 0.00 0.00 57.97 61.51 3kot h PHE 116 Cb 0.93 -0.17 -0.03 0.00 2.79 0.00 0.00 35.95 39.46 3kot h PHE 116 CO 0.04 0.49 0.42 0.87 -2.23 0.00 0.00 178.31 177.90 3kot h LYS 117 N 0.47 0.83 0.11 1.11 1.79 -1.01 0.86 116.57 120.74 3kot h LYS 117 Ca 0.13 -0.05 -0.01 0.00 -2.18 0.00 0.00 60.65 58.54 3kot h LYS 117 Cb 0.15 -0.19 0.00 0.00 -1.58 0.00 0.00 32.23 30.61 3kot h LYS 117 CO -0.01 0.55 -0.05 -0.09 -1.08 0.00 0.00 179.45 178.76 3kot h ARG 118 N 0.86 -0.15 -0.25 3.15 2.43 -0.88 -2.85 114.38 116.68 3kot h ARG 118 Ca 0.24 0.01 -0.13 0.00 -0.81 0.00 0.00 59.98 59.28 3kot h ARG 118 Cb -0.09 0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 29.49 3kot h ARG 118 CO -0.05 -0.00 -0.39 0.77 -1.51 0.00 0.00 179.97 178.79 3kot h SER 119 N -0.26 0.62 -2.03 -3.80 0.02 -0.93 -3.39 113.55 103.78 3kot h SER 119 Ca -0.02 -0.27 -0.55 0.00 -0.84 0.00 0.00 61.79 60.11 3kot h SER 119 Cb 0.21 -0.17 -0.40 0.00 0.14 0.00 0.00 62.40 62.18 3kot h SER 119 CO 0.03 0.95 -1.06 -1.22 -1.14 0.00 0.00 176.83 174.39 3kot n TYR 120 N -4.04 0.32 0.28 3.45 4.02 0.26 -4.96 117.16 116.49 3kot n TYR 120 Ca -0.02 -3.69 0.14 0.00 -0.01 0.00 0.00 57.90 54.33 3kot n TYR 120 Cb 0.51 -0.39 0.82 0.00 -0.02 0.00 0.00 39.34 40.26 3kot n TYR 120 CO 0.00 0.00 0.00 -1.35 -1.01 0.00 0.00 176.86 174.50 3kot h PRO 121 N 3.79 0.00 0.00 -0.72 0.10 -1.72 -2.63 132.00 130.82 3kot h PRO 121 Ca 0.09 0.00 0.00 0.00 0.10 0.00 0.00 66.00 66.19 3kot h PRO 121 Cb 0.86 0.00 0.00 0.00 0.10 0.00 0.00 31.00 31.96 3kot h PRO 121 CO 0.52 0.07 0.00 -2.39 0.10 0.00 0.00 178.00 176.30 3kot n HIS 122 N -3.62 0.00 -3.54 0.65 1.44 -1.26 -4.77 115.22 104.12 3kot n HIS 122 Ca -0.02 0.00 -0.37 0.00 -2.01 0.00 0.00 57.72 55.32 3kot n HIS 122 Cb 0.18 -0.22 -0.08 0.00 0.12 0.00 0.00 29.99 29.99 3kot n HIS 122 CO 0.00 0.00 0.00 0.42 -2.81 0.00 0.00 176.34 173.95 3kot s ILE 123 N -2.44 5.29 -0.78 0.61 1.01 -0.99 -1.59 121.20 122.31 3kot s ILE 123 Ca 0.26 0.45 -0.21 0.00 0.00 0.00 0.00 60.65 61.16 3kot s ILE 123 Cb 0.16 -3.61 0.09 0.00 0.01 0.00 0.00 42.46 39.12 3kot s ILE 123 CO 0.35 0.33 1.04 -0.62 0.00 0.00 0.00 174.94 176.03 3kot s ASP 124 N 0.87 6.37 -0.31 3.58 2.15 0.46 -4.90 116.67 124.90 3kot s ASP 124 Ca 0.14 -1.44 -0.20 0.00 0.43 0.00 0.00 52.55 51.48 3kot s ASP 124 Cb -0.14 -2.41 -0.01 0.00 -0.30 0.00 0.00 42.92 40.06 3kot s ASP 124 CO 0.05 -1.28 0.60 -0.22 -0.17 0.00 0.00 175.17 174.14 3kot s LEU 125 N 3.50 4.16 -0.72 -1.34 2.96 -1.26 -0.86 118.68 125.12 3kot s LEU 125 Ca 0.27 0.37 -0.12 0.00 -0.22 0.00 0.00 54.13 54.42 3kot s LEU 125 Cb -0.12 -2.76 0.19 0.00 0.50 0.00 0.00 46.19 44.00 3kot s LEU 125 CO 0.01 -0.45 0.64 -1.00 -1.32 0.00 0.00 176.35 174.23 3kot s HIS 126 N 2.54 3.59 -0.07 5.38 3.76 0.18 -4.97 115.29 125.70 3kot s HIS 126 Ca 0.24 -1.95 -0.16 0.00 -0.15 0.00 0.00 55.06 53.04 3kot s HIS 126 Cb -0.15 -3.70 -0.05 0.00 1.11 0.00 0.00 32.58 29.79 3kot s HIS 126 CO 0.12 -0.98 0.42 0.42 -0.85 0.00 0.00 174.74 173.87 3kot s ILE 127 N 0.50 5.13 0.06 0.60 1.01 -1.26 -1.79 121.20 125.46 3kot s ILE 127 Ca 0.14 0.84 0.03 0.00 0.00 0.00 0.00 60.65 61.66 3kot s ILE 127 Cb -0.17 -3.74 -0.03 0.00 0.01 0.00 0.00 42.46 38.53 3kot s ILE 127 CO -0.05 0.45 -0.08 -0.94 0.00 0.00 0.00 174.94 174.31 3kot s SER 128 N -0.16 1.06 0.21 3.58 1.04 -0.55 -4.99 113.70 113.89 3kot s SER 128 Ca 0.23 -0.69 0.07 0.00 0.48 0.00 0.00 55.95 56.04 3kot s SER 128 Cb -0.15 0.04 -0.04 0.00 0.10 0.00 0.00 66.02 65.97 3kot s SER 128 CO 0.11 -0.26 0.10 0.42 0.98 0.00 0.00 173.24 174.58 3kot s THR 129 N -2.01 4.09 0.31 2.02 -4.23 -1.26 0.18 115.64 114.75 3kot s THR 129 Ca -0.02 -1.43 0.00 0.00 -1.18 0.00 0.00 61.69 59.06 3kot s THR 129 Cb -0.06 -3.14 -0.01 0.00 1.34 0.00 0.00 72.50 70.63 3kot s THR 129 CO -0.01 -0.24 0.37 -1.38 -0.54 0.00 0.00 174.62 172.82 3kot s HIS 130 N -1.98 1.26 -0.33 3.99 -3.43 -0.61 -4.79 115.29 109.40 3kot s HIS 130 Ca 0.31 -1.39 0.09 0.00 -0.80 0.00 0.00 55.06 53.26 3kot s HIS 130 Cb -0.08 -0.33 0.62 0.00 -1.43 0.00 0.00 32.58 31.35 3kot s HIS 130 CO 0.22 -0.98 1.68 0.27 -2.00 0.00 0.00 174.74 173.94 3kot n ASN 131 N -1.24 3.65 0.00 7.38 0.23 -1.26 -1.35 115.26 122.67 3kot n ASN 131 Ca 0.03 -3.49 0.00 0.00 -0.53 0.00 0.00 54.58 50.59 3kot n ASN 131 Cb 0.62 -0.71 0.00 0.00 -2.08 0.00 0.00 39.78 37.61 3kot n ASN 131 CO 0.00 0.00 0.00 -3.20 -0.93 0.00 0.00 177.26 173.13 3kot n ASN 132 N -0.80 0.00 -4.10 0.53 5.15 -1.26 -4.74 115.26 110.04 3kot n ASN 132 Ca 0.42 0.00 -0.36 0.00 -0.60 0.00 0.00 54.58 54.04 3kot n ASN 132 Cb 1.30 -0.05 -0.11 0.00 -0.53 0.00 0.00 39.78 40.39 3kot n ASN 132 CO 0.00 0.00 0.00 -0.13 1.40 0.00 0.00 177.26 178.53 3kot s ARG 133 N -0.01 2.14 -0.02 1.20 3.00 -1.26 -4.90 118.95 119.11 3kot s ARG 133 Ca 0.00 -2.06 -0.06 0.00 0.00 0.00 0.00 55.73 53.61 3kot s ARG 133 Cb 0.00 -3.60 0.00 0.00 0.00 0.00 0.00 34.95 31.35 3kot s ARG 133 CO 0.00 -1.10 0.13 0.54 0.00 0.00 0.00 175.30 174.87 3kot s VAL 134 N 0.73 0.06 -0.39 3.52 0.11 -1.26 -5.06 120.40 118.10 3kot s VAL 134 Ca 0.11 -0.48 -0.02 0.00 -2.93 0.00 0.00 61.98 58.66 3kot s VAL 134 Cb -0.22 -0.36 0.10 0.00 -1.53 0.00 0.00 36.38 34.38 3kot s VAL 134 CO -0.04 -0.27 0.17 -0.62 -3.33 0.00 0.00 175.10 171.01 3kot s ASP 135 N -0.92 5.16 0.30 3.54 -1.08 -1.26 -4.99 116.67 117.41 3kot s ASP 135 Ca -0.10 -2.01 -0.00 0.00 -0.52 0.00 0.00 52.55 49.92 3kot s ASP 135 Cb -0.06 -1.79 0.46 0.00 -1.46 0.00 0.00 42.92 40.07 3kot s ASP 135 CO 0.01 -0.50 1.86 1.55 0.52 0.00 0.00 175.17 178.61 3kot h PRO 136 N 7.98 0.79 0.04 4.34 0.13 -1.97 -2.06 132.00 141.26 3kot h PRO 136 Ca -0.12 -0.14 -0.00 0.00 -0.87 0.00 0.00 66.00 64.86 3kot h PRO 136 Cb 1.04 -0.13 -0.00 0.00 0.13 0.00 0.00 31.00 32.04 3kot h PRO 136 CO 0.66 0.70 -0.03 0.00 -0.23 0.00 0.00 178.00 179.10 3kot h ALA 137 N 1.40 -0.07 -0.75 -0.56 0.00 -1.94 0.84 119.26 118.18 3kot h ALA 137 Ca 0.18 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.05 3kot h ALA 137 Cb 0.24 0.04 -0.04 0.00 0.00 0.00 0.00 17.79 18.04 3kot h ALA 137 CO -0.01 -0.54 0.38 0.00 0.00 0.00 0.00 179.25 179.08 3kot h ALA 138 N 0.88 1.26 -0.00 0.00 0.00 -1.94 -2.06 119.26 117.39 3kot h ALA 138 Ca -0.00 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.77 3kot h ALA 138 Cb 0.07 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 17.56 3kot h ALA 138 CO -0.00 0.58 -0.17 0.39 0.00 0.00 0.00 179.25 180.05 3kot n GLU 139 N -4.34 0.39 -2.85 0.00 1.02 -0.79 -4.93 120.64 109.14 3kot n GLU 139 Ca 0.07 -0.14 -0.14 0.00 -0.02 0.00 0.00 57.16 56.94 3kot n GLU 139 Cb 0.12 -1.50 0.03 0.00 -0.02 0.00 0.00 31.44 30.08 3kot n GLU 139 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3kot n GLY 140 N 1.38 -0.02 3.81 0.62 0.00 -0.09 -4.99 105.19 105.89 3kot n GLY 140 Ca 0.11 -0.20 -0.35 0.00 0.00 0.00 0.00 46.02 45.59 3kot n GLY 140 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3kot s LEU 141 N -4.41 4.12 -0.11 0.99 1.43 0.10 -4.93 118.68 115.86 3kot s LEU 141 Ca 0.23 1.71 -0.06 0.00 -1.03 0.00 0.00 54.13 54.99 3kot s LEU 141 Cb -0.10 -4.26 -0.04 0.00 0.03 0.00 0.00 46.19 41.81 3kot s LEU 141 CO 0.29 -0.22 0.10 0.44 0.23 0.00 0.00 176.35 177.19 3kot h ASP 142 N 2.50 0.00 -2.66 2.29 3.32 -1.49 -3.45 116.42 116.93 3kot h ASP 142 Ca -0.48 -0.15 -0.62 0.00 0.02 0.00 0.00 57.03 55.80 3kot h ASP 142 Cb 1.18 0.00 -0.15 0.00 0.22 0.00 0.00 39.33 40.59 3kot h ASP 142 CO 0.63 0.62 -0.75 -0.31 -1.72 0.00 0.00 179.24 177.71 3kot s TYR 143 N -1.73 2.44 -0.11 4.55 2.02 -1.14 -4.59 117.35 118.79 3kot s TYR 143 Ca -0.05 -0.30 0.00 0.00 -0.37 0.00 0.00 57.07 56.36 3kot s TYR 143 Cb -0.00 -1.13 0.02 0.00 -0.40 0.00 0.00 41.96 40.45 3kot s TYR 143 CO 0.13 0.60 -0.09 0.99 -1.57 0.00 0.00 175.55 175.61 3kot s THR 144 N -2.07 1.08 -0.25 -0.71 2.01 -0.48 -1.75 115.64 113.48 3kot s THR 144 Ca 0.27 -0.35 -0.14 0.00 0.31 0.00 0.00 61.69 61.77 3kot s THR 144 Cb -0.07 -1.07 -0.04 0.00 0.01 0.00 0.00 72.50 71.33 3kot s THR 144 CO 0.14 0.37 0.34 -0.63 -0.69 0.00 0.00 174.62 174.16 3kot s ILE 145 N 1.49 5.21 0.22 1.82 1.01 0.08 -0.39 121.20 130.65 3kot s ILE 145 Ca 0.01 0.54 -0.04 0.00 0.00 0.00 0.00 60.65 61.15 3kot s ILE 145 Cb -0.13 -3.67 -0.03 0.00 0.01 0.00 0.00 42.46 38.64 3kot s ILE 145 CO -0.06 0.22 0.25 0.00 0.00 0.00 0.00 174.94 175.35 3kot s ARG 146 N 1.69 1.35 -0.12 2.79 1.70 -0.22 -1.10 118.95 125.03 3kot s ARG 146 Ca 0.15 -1.53 -0.02 0.00 -0.47 0.00 0.00 55.73 53.85 3kot s ARG 146 Cb -0.15 0.34 -0.03 0.00 -0.57 0.00 0.00 34.95 34.54 3kot s ARG 146 CO 0.09 -0.49 -0.04 -0.47 -1.08 0.00 0.00 175.30 173.31 3kot s TYR 147 N -4.06 3.03 -3.77 5.89 5.04 -1.26 -1.07 117.35 121.15 3kot s TYR 147 Ca 0.34 -0.12 0.00 0.00 -2.44 0.00 0.00 57.07 54.85 3kot s TYR 147 Cb 0.04 -1.86 0.00 0.00 0.35 0.00 0.00 41.96 40.49 3kot s TYR 147 CO 0.12 0.16 0.00 0.41 -1.34 0.00 0.00 175.55 174.90 3kot n GLY 148 N 2.92 -0.51 0.82 8.97 0.00 -0.41 -4.93 105.19 112.06 3kot n GLY 148 Ca -0.18 -0.99 0.12 0.00 0.00 0.00 0.00 46.02 44.97 3kot n GLY 148 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kot n GLY 149 N 0.00 0.71 2.11 -0.02 0.00 -1.26 -0.91 105.19 105.81 3kot n GLY 149 Ca 0.00 -0.67 0.00 0.00 0.00 0.00 0.00 46.02 45.35 3kot n GLY 149 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kot n GLY 150 N 1.35 1.18 2.51 -0.02 0.00 -1.26 -4.94 105.19 104.01 3kot n GLY 150 Ca 0.12 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.84 3kot n GLY 150 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kot n ALA 151 N -0.08 5.60 -1.92 4.61 0.00 -1.26 -4.79 120.51 122.68 3kot n ALA 151 Ca 0.00 -4.09 -0.41 0.00 0.00 0.00 0.00 53.44 48.94 3kot n ALA 151 Cb 0.00 -1.04 -0.03 0.00 0.00 0.00 0.00 19.45 18.38 3kot n ALA 151 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 3kot s TRP 152 N -3.73 3.31 0.48 0.00 0.51 -1.26 -5.02 118.94 113.23 3kot s TRP 152 Ca 0.51 1.40 -0.20 0.00 -2.12 0.00 0.00 56.10 55.69 3kot s TRP 152 Cb 0.42 -3.52 -0.09 0.00 -0.81 0.00 0.00 33.47 29.47 3kot s TRP 152 CO -0.20 -1.48 1.02 -1.01 -0.51 0.00 0.00 176.95 174.77 3kot s HIS 153 N -0.44 3.07 -1.11 -1.98 3.76 -1.26 -3.63 115.29 113.69 3kot s HIS 153 Ca 0.52 1.57 -0.02 0.00 -0.15 0.00 0.00 55.06 56.98 3kot s HIS 153 Cb -0.36 -3.01 0.02 0.00 1.11 0.00 0.00 32.58 30.34 3kot s HIS 153 CO 0.42 -0.70 0.13 -0.25 -0.85 0.00 0.00 174.74 173.49 3kot n ASP 154 N -1.00 -3.95 -4.15 1.40 8.00 -1.26 -4.96 116.55 110.63 3kot n ASP 154 Ca 0.09 0.05 -0.24 0.00 0.71 0.00 0.00 54.79 55.40 3kot n ASP 154 Cb 0.53 -3.33 -0.15 0.00 -0.02 0.00 0.00 41.12 38.15 3kot n ASP 154 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 3kot s THR 155 N -2.70 1.33 -0.46 -3.53 2.01 -1.24 -1.60 115.64 109.46 3kot s THR 155 Ca 0.10 -0.72 -0.19 0.00 0.31 0.00 0.00 61.69 61.19 3kot s THR 155 Cb -0.05 -1.11 0.03 0.00 0.01 0.00 0.00 72.50 71.38 3kot s THR 155 CO 0.12 0.38 0.58 -0.62 -0.69 0.00 0.00 174.62 174.39 3kot s ASP 156 N -0.35 6.25 -0.13 3.53 2.15 0.04 -4.88 116.67 123.29 3kot s ASP 156 Ca 0.05 -0.63 -0.01 0.00 0.43 0.00 0.00 52.55 52.40 3kot s ASP 156 Cb -0.07 -2.28 -0.02 0.00 -0.30 0.00 0.00 42.92 40.25 3kot s ASP 156 CO -0.00 -0.76 -0.11 0.00 -0.17 0.00 0.00 175.17 174.13 3kot s ALA 157 N 2.56 2.73 -0.10 3.66 0.00 -1.26 -1.19 121.76 128.16 3kot s ALA 157 Ca 0.17 -0.87 0.04 0.00 0.00 0.00 0.00 51.96 51.30 3kot s ALA 157 Cb -0.17 -1.29 0.00 0.00 0.00 0.00 0.00 23.12 21.66 3kot s ALA 157 CO 0.15 0.26 -0.23 -1.14 0.00 0.00 0.00 175.76 174.80 3kot s GLN 158 N 0.28 2.91 0.13 0.00 0.74 0.41 -4.97 119.66 119.17 3kot s GLN 158 Ca -0.08 -0.84 -0.31 0.00 0.05 0.00 0.00 55.36 54.19 3kot s GLN 158 Cb -0.15 -2.21 -0.08 0.00 1.10 0.00 0.00 33.01 31.67 3kot s GLN 158 CO 0.05 0.17 1.31 -0.47 -0.55 0.00 0.00 175.29 175.80 3kot s TYR 159 N 0.36 3.31 -0.13 1.67 5.04 -1.26 -0.50 117.35 125.83 3kot s TYR 159 Ca -0.18 1.15 -0.13 0.00 -2.44 0.00 0.00 57.07 55.46 3kot s TYR 159 Cb -0.18 -3.58 -0.04 0.00 0.35 0.00 0.00 41.96 38.51 3kot s TYR 159 CO 0.08 -1.90 -0.26 1.28 -1.34 0.00 0.00 175.55 173.42 3kot n LEU 160 N 3.43 1.44 -3.57 6.97 4.77 0.31 -4.88 117.00 125.48 3kot n LEU 160 Ca 0.09 0.24 -0.08 0.00 -0.03 0.00 0.00 56.01 56.23 3kot n LEU 160 Cb 0.43 -0.67 -0.02 0.00 -2.33 0.00 0.00 43.42 40.83 3kot n LEU 160 CO 0.57 -0.33 0.63 0.00 -1.33 0.00 0.00 177.39 176.93 3kot s SER 162 N -2.67 4.63 -0.29 0.00 1.04 -1.26 -0.61 113.70 114.54 3kot s SER 162 Ca 0.06 1.67 0.20 0.00 0.48 0.00 0.00 55.95 58.36 3kot s SER 162 Cb -0.01 -2.42 0.48 0.00 0.10 0.00 0.00 66.02 64.17 3kot s SER 162 CO -0.06 -1.93 1.07 0.00 0.98 0.00 0.00 173.24 173.30 3kot n ALA 163 N -3.44 2.87 -1.62 5.32 0.00 -1.25 -4.68 120.51 117.69 3kot n ALA 163 Ca 0.08 -2.78 -0.48 0.00 0.00 0.00 0.00 53.44 50.26 3kot n ALA 163 Cb 0.54 -0.90 -0.04 0.00 0.00 0.00 0.00 19.45 19.04 3kot n ALA 163 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3kot n LEU 164 N -0.44 2.28 -4.69 0.00 4.77 -1.26 -4.44 117.00 113.22 3kot n LEU 164 Ca 0.06 1.13 -0.34 0.00 -0.03 0.00 0.00 56.01 56.83 3kot n LEU 164 Cb 0.81 -1.31 -0.09 0.00 -2.33 0.00 0.00 43.42 40.50 3kot n LEU 164 CO 0.13 -0.83 -0.31 -0.04 -1.33 0.00 0.00 177.39 175.01 3kot s MET 165 N 0.05 2.92 0.12 3.23 -1.94 0.10 -2.16 119.30 121.62 3kot s MET 165 Ca 0.75 -0.49 -0.14 0.00 -1.71 0.00 0.00 55.69 54.11 3kot s MET 165 Cb -0.79 -2.75 0.02 0.00 2.01 0.00 0.00 34.83 33.32 3kot s MET 165 CO 0.48 0.67 0.36 0.45 -0.01 0.00 0.00 175.02 176.96 3kot s SER 166 N -1.19 -0.15 0.36 3.03 0.15 -1.15 -0.81 113.70 113.94 3kot s SER 166 Ca 0.16 -0.42 -0.28 0.00 0.70 0.00 0.00 55.95 56.11 3kot s SER 166 Cb -0.11 0.45 -0.11 0.00 -1.71 0.00 0.00 66.02 64.54 3kot s SER 166 CO 0.06 -0.84 1.43 -2.84 1.20 0.00 0.00 173.24 172.26 3kot s PRO 167 N -3.83 4.18 -0.02 5.44 0.02 -1.26 -3.26 135.00 136.27 3kot s PRO 167 Ca 0.04 2.47 0.00 0.00 0.02 0.00 0.00 61.00 63.53 3kot s PRO 167 Cb 0.02 -3.00 0.02 0.00 0.02 0.00 0.00 34.50 31.57 3kot s PRO 167 CO -0.11 -0.43 0.01 -0.51 -0.33 0.00 0.00 177.00 175.63 3kot s LEU 168 N -2.00 1.32 0.29 -5.54 1.43 -0.18 -4.05 118.68 109.96 3kot s LEU 168 Ca 0.52 -0.00 -0.13 0.00 -1.03 0.00 0.00 54.13 53.48 3kot s LEU 168 Cb -0.44 -0.14 0.01 0.00 0.03 0.00 0.00 46.19 45.65 3kot s LEU 168 CO 0.60 -0.08 0.58 0.00 0.23 0.00 0.00 176.35 177.67 3kot s SER 170 N -3.05 5.38 0.34 0.00 1.04 -1.25 0.90 113.70 117.07 3kot s SER 170 Ca 0.20 1.72 0.07 0.00 0.48 0.00 0.00 55.95 58.42 3kot s SER 170 Cb -0.02 -2.51 0.75 0.00 0.10 0.00 0.00 66.02 64.33 3kot s SER 170 CO 0.11 -1.44 1.89 -0.65 0.98 0.00 0.00 173.24 174.13 3kot h PRO 171 N -0.39 0.75 -0.39 4.02 0.11 -1.87 0.21 132.00 134.45 3kot h PRO 171 Ca -0.45 -0.04 -0.03 0.00 0.11 0.00 0.00 66.00 65.58 3kot h PRO 171 Cb 1.22 -0.17 -0.02 0.00 0.11 0.00 0.00 31.00 32.14 3kot h PRO 171 CO 0.56 0.49 0.11 1.15 -0.21 0.00 0.00 178.00 180.10 3kot h THR 172 N 0.77 1.22 -0.72 -1.15 2.02 -1.97 -1.15 112.91 111.94 3kot h THR 172 Ca 0.42 -0.74 -0.06 0.00 0.77 0.00 0.00 66.41 66.79 3kot h THR 172 Cb 0.54 0.97 -0.03 0.00 -1.74 0.00 0.00 68.15 67.89 3kot h THR 172 CO -0.18 0.26 0.20 -0.07 0.37 0.00 0.00 175.52 176.10 3kot h LEU 173 N 0.48 1.06 -1.40 2.58 4.07 -1.80 -2.95 115.31 117.35 3kot h LEU 173 Ca 0.12 -0.21 -0.06 0.00 0.08 0.00 0.00 57.88 57.82 3kot h LEU 173 Cb 0.28 -0.28 -0.01 0.00 1.08 0.00 0.00 40.66 41.74 3kot h LEU 173 CO -0.00 0.99 -0.24 0.00 -1.08 0.00 0.00 178.44 178.11 3kot h ALA 174 N 1.14 1.51 0.00 1.53 0.00 -0.58 -0.51 119.26 122.35 3kot h ALA 174 Ca 0.23 -0.25 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 3kot h ALA 174 Cb 0.33 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.06 3kot h ALA 174 CO -0.00 0.36 -0.00 0.66 0.00 0.00 0.00 179.25 180.27 3kot h SER 175 N 0.08 0.00 -0.55 0.00 4.64 -1.03 -1.10 113.55 115.58 3kot h SER 175 Ca 0.01 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.33 3kot h SER 175 Cb 0.47 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.56 3kot h SER 175 CO 0.03 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 175.99 3kot n GLN 176 N -3.09 2.80 -4.08 4.77 6.02 -0.21 -4.90 117.38 118.70 3kot n GLN 176 Ca -0.02 -2.38 -0.33 0.00 -0.01 0.00 0.00 57.00 54.26 3kot n GLN 176 Cb 0.11 -1.43 -0.15 0.00 1.02 0.00 0.00 30.24 29.79 3kot n GLN 176 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 3kot s ILE 177 N -1.00 2.17 -0.04 5.09 1.01 -0.42 -4.89 121.20 123.12 3kot s ILE 177 Ca 0.37 -1.33 0.01 0.00 0.00 0.00 0.00 60.65 59.70 3kot s ILE 177 Cb 0.19 -2.13 -0.03 0.00 0.01 0.00 0.00 42.46 40.50 3kot s ILE 177 CO 0.25 0.21 -0.03 0.00 0.00 0.00 0.00 174.94 175.36 3kot n GLN 178 N 4.52 0.53 -4.37 2.79 3.00 -1.26 -4.93 117.38 117.65 3kot n GLN 178 Ca -0.17 0.02 -0.21 0.00 -0.01 0.00 0.00 57.00 56.63 3kot n GLN 178 Cb 0.45 -1.09 -0.10 0.00 0.00 0.00 0.00 30.24 29.50 3kot n GLN 178 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.06 178.01 3kot s THR 179 N -2.09 1.96 0.39 5.09 -4.23 -1.26 -5.04 115.64 110.46 3kot s THR 179 Ca -0.05 -2.17 0.12 0.00 -1.18 0.00 0.00 61.69 58.40 3kot s THR 179 Cb 0.01 -2.05 0.33 0.00 1.34 0.00 0.00 72.50 72.14 3kot s THR 179 CO 0.11 -0.45 1.90 -0.65 -0.54 0.00 0.00 174.62 174.98 3kot h PRO 180 N 2.71 0.56 -0.48 3.99 0.11 -1.97 -0.33 132.00 136.59 3kot h PRO 180 Ca -0.40 -0.03 0.13 0.00 0.11 0.00 0.00 66.00 65.80 3kot h PRO 180 Cb 1.23 -0.13 -0.02 0.00 0.11 0.00 0.00 31.00 32.19 3kot h PRO 180 CO 0.58 0.37 0.34 0.00 -0.21 0.00 0.00 178.00 179.08 3kot h ALA 181 N 1.62 2.36 0.00 -0.75 0.00 -2.00 -2.07 119.26 118.42 3kot h ALA 181 Ca 0.40 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.28 3kot h ALA 181 Cb 0.74 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.54 3kot h ALA 181 CO -0.16 -0.49 -0.11 -0.44 0.00 0.00 0.00 179.25 178.05 3kot h ASP 182 N 0.07 0.00 -0.87 0.00 3.32 -1.40 -2.22 116.42 115.33 3kot h ASP 182 Ca 0.23 0.00 0.17 0.00 0.02 0.00 0.00 57.03 57.45 3kot h ASP 182 Cb 0.82 0.00 -0.07 0.00 0.22 0.00 0.00 39.33 40.30 3kot h ASP 182 CO -0.02 0.11 0.57 0.40 -1.72 0.00 0.00 179.24 178.58 3kot h ILE 183 N 0.00 0.76 0.00 0.35 2.04 -1.49 -1.43 117.51 117.73 3kot h ILE 183 Ca -0.00 -0.18 0.00 0.00 1.00 0.00 0.00 64.86 65.68 3kot h ILE 183 Cb 0.39 0.20 0.00 0.00 -0.74 0.00 0.00 36.82 36.67 3kot h ILE 183 CO 0.01 0.09 0.00 0.18 0.00 0.00 0.00 178.15 178.44 3kot n LEU 184 N -4.53 0.00 0.29 1.44 4.77 -0.83 -1.73 117.00 116.41 3kot n LEU 184 Ca 0.18 0.00 0.19 0.00 -0.03 0.00 0.00 56.01 56.34 3kot n LEU 184 Cb 0.58 0.00 0.85 0.00 -2.33 0.00 0.00 43.42 42.52 3kot n LEU 184 CO 0.30 0.00 1.05 0.11 -1.33 0.00 0.00 177.39 177.52 3kot h LYS 185 N 0.00 0.00 -5.44 3.23 1.57 -1.44 -3.46 116.57 111.03 3kot h LYS 185 Ca 0.00 0.00 -0.42 0.00 -1.87 0.00 0.00 60.65 58.36 3kot h LYS 185 Cb 0.00 0.00 -0.16 0.00 0.08 0.00 0.00 32.23 32.15 3kot h LYS 185 CO 0.00 0.00 -0.75 -0.06 -0.57 0.00 0.00 179.45 178.07 3kot s PHE 186 N -3.80 1.50 0.68 -1.35 0.08 -0.71 -5.13 117.98 109.25 3kot s PHE 186 Ca -0.01 -0.59 -0.17 0.00 0.12 0.00 0.00 56.93 56.28 3kot s PHE 186 Cb 0.10 -0.75 -0.02 0.00 -0.57 0.00 0.00 43.02 41.78 3kot s PHE 186 CO 0.48 0.21 0.83 -2.30 -0.10 0.00 0.00 175.22 174.34 3kot n PRO 187 N 0.11 0.54 -3.90 0.24 -0.02 -1.26 -4.79 135.00 125.92 3kot n PRO 187 Ca -0.12 0.23 -0.36 0.00 -2.02 0.00 0.00 63.50 61.23 3kot n PRO 187 Cb 0.59 -2.08 -0.06 0.00 -0.02 0.00 0.00 33.50 31.93 3kot n PRO 187 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 3kot s LEU 188 N -1.90 4.36 -0.14 2.45 1.43 -0.57 -1.57 118.68 122.73 3kot s LEU 188 Ca 0.72 0.44 -0.03 0.00 -1.03 0.00 0.00 54.13 54.23 3kot s LEU 188 Cb -0.37 -2.15 -0.02 0.00 0.03 0.00 0.00 46.19 43.67 3kot s LEU 188 CO 0.51 0.38 -0.06 -0.76 0.23 0.00 0.00 176.35 176.66 3kot s LEU 189 N -1.18 3.11 0.17 1.79 1.43 0.06 -1.25 118.68 122.81 3kot s LEU 189 Ca 0.17 -0.17 0.00 0.00 -1.03 0.00 0.00 54.13 53.10 3kot s LEU 189 Cb -0.12 -1.73 -0.04 0.00 0.03 0.00 0.00 46.19 44.32 3kot s LEU 189 CO 0.06 0.18 0.04 0.00 0.23 0.00 0.00 176.35 176.87 3kot s ARG 190 N 0.30 1.09 0.25 1.70 1.70 -0.45 -3.26 118.95 120.28 3kot s ARG 190 Ca -0.05 -1.53 -0.02 0.00 -0.47 0.00 0.00 55.73 53.65 3kot s ARG 190 Cb -0.14 -0.04 0.05 0.00 -0.57 0.00 0.00 34.95 34.25 3kot s ARG 190 CO 0.04 -0.22 0.35 -1.13 -1.08 0.00 0.00 175.30 173.26 3kot n SER 191 N -0.22 0.24 0.31 -2.89 3.41 -1.26 -0.53 113.62 112.68 3kot n SER 191 Ca -0.05 -1.25 0.20 0.00 -0.26 0.00 0.00 58.87 57.51 3kot n SER 191 Cb 0.64 -0.25 0.98 0.00 -0.26 0.00 0.00 64.21 65.33 3kot n SER 191 CO 0.00 0.00 0.00 1.88 -0.16 0.00 0.00 175.04 176.76 3kot h TYR 192 N -0.81 0.00 -3.19 7.33 0.99 -1.91 -3.42 116.97 115.96 3kot h TYR 192 Ca -0.11 0.00 -0.53 0.00 2.00 0.00 0.00 58.73 60.09 3kot h TYR 192 Cb 0.36 0.00 0.05 0.00 1.00 0.00 0.00 36.73 38.15 3kot h TYR 192 CO 0.00 0.00 0.81 0.50 -0.00 0.00 0.00 178.16 179.47 3kot s ARG 193 N -3.93 4.24 0.00 4.88 3.52 -1.26 -4.95 118.95 121.45 3kot s ARG 193 Ca -0.02 2.34 0.26 0.00 -0.13 0.00 0.00 55.73 58.17 3kot s ARG 193 Cb 0.11 -3.12 0.63 0.00 -1.56 0.00 0.00 34.95 31.01 3kot s ARG 193 CO 0.45 -0.50 1.49 0.54 -0.81 0.00 0.00 175.30 176.47 3kot n ARG 194 N 2.87 0.47 0.00 5.12 1.74 -1.26 -4.43 116.66 121.16 3kot n ARG 194 Ca 0.09 -0.28 0.10 0.00 -0.77 0.00 0.00 57.85 56.99 3kot n ARG 194 Cb 0.39 -1.49 0.01 0.00 -1.02 0.00 0.00 32.46 30.35 3kot n ARG 194 CO 0.00 0.00 0.00 -0.40 -1.52 0.00 0.00 177.63 175.71 3kot n ASP 195 N -1.02 2.00 0.08 0.55 5.75 -1.26 -4.72 116.55 117.93 3kot n ASP 195 Ca 0.09 -1.50 -0.13 0.00 -0.01 0.00 0.00 54.79 53.24 3kot n ASP 195 Cb 0.34 0.42 -0.07 0.00 -1.03 0.00 0.00 41.12 40.78 3kot n ASP 195 CO 0.00 0.00 0.00 -0.33 -0.11 0.00 0.00 177.20 176.76 3kot h GLU 196 N 2.46 -0.10 -0.30 0.11 5.08 -1.97 -1.01 114.58 118.85 3kot h GLU 196 Ca 0.00 0.01 -0.16 0.00 -1.00 0.00 0.00 59.36 58.21 3kot h GLU 196 Cb 0.71 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.98 3kot h GLU 196 CO 0.00 -0.06 -0.44 -1.49 -1.00 0.00 0.00 179.01 176.03 3kot h TRP 197 N -0.11 0.92 -0.12 4.33 4.06 -1.93 -1.67 115.95 121.42 3kot h TRP 197 Ca -0.01 -0.29 0.00 0.00 2.06 0.00 0.00 58.89 60.66 3kot h TRP 197 Cb 0.09 -0.19 -0.01 0.00 -1.00 0.00 0.00 29.16 28.05 3kot h TRP 197 CO -0.07 1.06 0.07 0.00 -3.56 0.00 0.00 178.44 175.94 3kot h ALA 198 N 0.89 0.15 -0.25 1.49 0.00 -1.83 -1.79 119.26 117.92 3kot h ALA 198 Ca 0.04 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 3kot h ALA 198 Cb 1.00 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.74 3kot h ALA 198 CO 0.10 -0.37 0.14 -0.07 0.00 0.00 0.00 179.25 179.04 3kot h LEU 199 N 0.15 0.32 0.01 0.00 3.38 -1.13 -0.70 115.31 117.34 3kot h LEU 199 Ca 0.05 -0.09 -0.00 0.00 0.09 0.00 0.00 57.88 57.93 3kot h LEU 199 Cb -0.00 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 40.67 3kot h LEU 199 CO -0.02 0.31 -0.01 -0.25 0.09 0.00 0.00 178.44 178.56 3kot h TRP 200 N 0.30 -0.02 -0.58 1.13 7.01 -1.24 -1.00 115.95 121.55 3kot h TRP 200 Ca 0.09 -0.00 0.06 0.00 2.11 0.00 0.00 58.89 61.15 3kot h TRP 200 Cb 0.07 0.01 -0.06 0.00 -2.10 0.00 0.00 29.16 27.08 3kot h TRP 200 CO -0.03 0.14 0.28 0.52 -2.79 0.00 0.00 178.44 176.55 3kot h MET 201 N -0.17 0.50 -0.84 2.65 2.86 -1.32 -1.55 114.93 117.06 3kot h MET 201 Ca -0.00 -0.03 0.02 0.00 -2.06 0.00 0.00 59.70 57.63 3kot h MET 201 Cb 0.16 -0.11 -0.05 0.00 0.06 0.00 0.00 31.60 31.66 3kot h MET 201 CO 0.00 0.33 0.55 0.37 1.06 0.00 0.00 176.91 179.22 3kot h GLN 202 N 0.52 1.07 -0.34 1.72 4.15 -0.98 0.21 115.11 121.45 3kot h GLN 202 Ca 0.27 -0.06 -0.05 0.00 0.77 0.00 0.00 58.65 59.58 3kot h GLN 202 Cb 0.22 -0.24 -0.02 0.00 0.21 0.00 0.00 27.48 27.66 3kot h GLN 202 CO -0.21 0.71 0.01 1.15 -1.93 0.00 0.00 178.83 178.55 3kot h THR 203 N 1.10 1.20 -0.25 2.39 2.02 -0.49 -2.55 112.91 116.32 3kot h THR 203 Ca 0.32 -0.77 0.00 0.00 0.77 0.00 0.00 66.41 66.73 3kot h THR 203 Cb -0.07 0.93 0.00 0.00 -1.74 0.00 0.00 68.15 67.27 3kot h THR 203 CO -0.09 0.27 0.00 1.33 0.37 0.00 0.00 175.52 177.40 3kot n VAL 204 N -4.28 0.32 -0.56 3.16 0.24 -0.65 -4.93 118.33 111.63 3kot n VAL 204 Ca 0.02 -0.47 0.00 0.00 -2.04 0.00 0.00 64.34 61.85 3kot n VAL 204 Cb 0.24 0.50 0.00 0.00 -1.47 0.00 0.00 33.84 33.11 3kot n VAL 204 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3kot n GLY 205 N 1.22 0.67 3.99 7.63 0.00 -0.64 -5.06 105.19 113.00 3kot n GLY 205 Ca 0.16 -0.42 -0.19 0.00 0.00 0.00 0.00 46.02 45.57 3kot n GLY 205 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3kot s GLU 206 N -0.91 3.03 0.72 1.61 0.41 0.66 -5.00 118.70 119.22 3kot s GLU 206 Ca 0.00 -0.98 -0.11 0.00 -0.41 0.00 0.00 54.97 53.47 3kot s GLU 206 Cb 0.00 -2.76 0.02 0.00 -1.78 0.00 0.00 34.13 29.61 3kot s GLU 206 CO 0.00 -0.08 1.09 0.00 -0.49 0.00 0.00 175.26 175.78 3kot s ALA 207 N -2.28 2.77 0.46 5.21 0.00 -1.26 -3.80 121.76 122.86 3kot s ALA 207 Ca 0.48 -0.28 -0.24 0.00 0.00 0.00 0.00 51.96 51.92 3kot s ALA 207 Cb -0.10 -3.05 -0.07 0.00 0.00 0.00 0.00 23.12 19.90 3kot s ALA 207 CO 0.33 -1.22 1.24 -2.14 0.00 0.00 0.00 175.76 173.96 3kot s PRO 208 N -5.29 3.72 0.47 0.00 0.02 -1.26 -4.76 135.00 127.89 3kot s PRO 208 Ca 0.58 1.97 -0.24 0.00 0.02 0.00 0.00 61.00 63.34 3kot s PRO 208 Cb -0.12 -2.50 -0.08 0.00 0.02 0.00 0.00 34.50 31.82 3kot s PRO 208 CO 0.53 -0.64 1.24 -2.30 -0.33 0.00 0.00 177.00 175.50 3kot n PRO 209 N -0.37 1.75 -1.58 5.54 -0.02 -1.26 -4.91 135.00 134.15 3kot n PRO 209 Ca 0.07 0.63 -0.47 0.00 -2.02 0.00 0.00 63.50 61.71 3kot n PRO 209 Cb 0.46 -2.38 -0.03 0.00 -0.02 0.00 0.00 33.50 31.53 3kot n PRO 209 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 3kot n SER 210 N -0.12 1.31 0.00 2.55 2.88 -1.26 -4.81 113.62 114.17 3kot n SER 210 Ca 0.08 1.16 0.01 0.00 -1.33 0.00 0.00 58.87 58.79 3kot n SER 210 Cb 0.41 -1.25 0.07 0.00 -0.75 0.00 0.00 64.21 62.70 3kot n SER 210 CO 0.00 0.00 0.00 -2.65 -1.23 0.00 0.00 175.04 171.16 3kot n PRO 211 N 1.35 0.03 0.00 -1.46 -0.02 -1.26 -0.85 135.00 132.79 3kot n PRO 211 Ca 0.13 0.30 0.12 0.00 -2.02 0.00 0.00 63.50 62.03 3kot n PRO 211 Cb 0.28 -1.50 0.13 0.00 -0.02 0.00 0.00 33.50 32.39 3kot n PRO 211 CO 0.00 0.00 0.00 2.41 1.98 0.00 0.00 175.50 179.89 3kot n THR 212 N -1.34 0.00 -1.98 3.45 -1.04 -1.26 -4.99 114.28 107.12 3kot n THR 212 Ca 0.01 -0.23 -0.41 0.00 -2.04 0.00 0.00 64.05 61.38 3kot n THR 212 Cb 0.03 0.99 -0.02 0.00 -1.82 0.00 0.00 70.33 69.51 3kot n THR 212 CO 0.00 0.00 0.00 -2.28 -0.64 0.00 0.00 175.07 172.15 3kot s HIS 213 N -2.45 2.91 0.01 -1.42 2.46 -0.03 -4.90 115.29 111.88 3kot s HIS 213 Ca 0.21 1.17 -0.30 0.00 0.47 0.00 0.00 55.06 56.61 3kot s HIS 213 Cb 0.19 -3.84 -0.09 0.00 -0.13 0.00 0.00 32.58 28.71 3kot s HIS 213 CO 0.54 -2.54 1.98 -0.80 -2.47 0.00 0.00 174.74 171.45 3kot s ASN 214 N -0.02 6.37 -0.03 9.88 0.01 -1.26 -4.95 114.94 124.95 3kot s ASN 214 Ca 0.55 2.60 0.02 0.00 -0.71 0.00 0.00 52.86 55.32 3kot s ASN 214 Cb -0.43 -2.53 0.01 0.00 0.41 0.00 0.00 41.25 38.72 3kot s ASN 214 CO 0.51 -1.12 -0.06 -0.69 -1.51 0.00 0.00 177.10 174.23 3kot s VAL 215 N 4.76 0.58 -0.04 1.60 1.01 -1.26 -1.51 120.40 125.52 3kot s VAL 215 Ca 0.89 -0.21 0.04 0.00 0.00 0.00 0.00 61.98 62.70 3kot s VAL 215 Cb -0.42 -0.55 -0.03 0.00 0.00 0.00 0.00 36.38 35.38 3kot s VAL 215 CO 0.41 0.21 -0.14 -0.04 0.00 0.00 0.00 175.10 175.53 3kot s MET 216 N 0.48 2.48 -0.11 2.72 -1.94 -0.38 -4.97 119.30 117.58 3kot s MET 216 Ca -0.07 -0.71 0.00 0.00 -1.71 0.00 0.00 55.69 53.21 3kot s MET 216 Cb -0.10 -2.37 -0.02 0.00 2.01 0.00 0.00 34.83 34.34 3kot s MET 216 CO 0.00 0.62 -0.11 0.08 -0.01 0.00 0.00 175.02 175.60 3kot s VAL 217 N -0.75 3.26 -0.08 -6.03 1.01 -1.26 -1.34 120.40 115.20 3kot s VAL 217 Ca 0.12 -0.61 0.04 0.00 0.00 0.00 0.00 61.98 61.53 3kot s VAL 217 Cb -0.11 -2.35 0.00 0.00 0.00 0.00 0.00 36.38 33.92 3kot s VAL 217 CO 0.01 0.54 -0.20 -0.36 0.00 0.00 0.00 175.10 175.09 3kot s PHE 218 N -0.01 2.14 0.09 5.22 0.08 0.31 -4.98 117.98 120.84 3kot s PHE 218 Ca -0.03 -0.83 0.33 0.00 0.12 0.00 0.00 56.93 56.53 3kot s PHE 218 Cb -0.14 -1.46 1.33 0.00 -0.57 0.00 0.00 43.02 42.19 3kot s PHE 218 CO 0.04 -0.35 1.97 0.38 -0.10 0.00 0.00 175.22 177.16 3kot h ASP 219 N 6.74 0.00 -3.47 1.36 2.03 -1.94 -3.25 116.42 117.89 3kot h ASP 219 Ca -0.24 0.00 -0.28 0.00 -0.73 0.00 0.00 57.03 55.77 3kot h ASP 219 Cb 1.22 0.00 -0.33 0.00 -0.83 0.00 0.00 39.33 39.38 3kot h ASP 219 CO 0.47 0.00 -0.68 -0.55 -1.03 0.00 0.00 179.24 177.45 3kot s SER 220 N -5.71 0.08 0.56 4.15 0.15 -1.26 -4.74 113.70 106.92 3kot s SER 220 Ca 0.01 0.14 0.26 0.00 0.70 0.00 0.00 55.95 57.06 3kot s SER 220 Cb 0.09 0.02 1.63 0.00 -1.71 0.00 0.00 66.02 66.05 3kot s SER 220 CO 0.55 -0.15 2.20 0.00 1.20 0.00 0.00 173.24 177.04 3kot h ALA 221 N 7.36 1.61 -0.27 5.45 0.00 -1.94 -1.10 119.26 130.37 3kot h ALA 221 Ca -0.43 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.42 3kot h ALA 221 Cb 1.13 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.90 3kot h ALA 221 CO 0.44 0.03 0.02 0.28 0.00 0.00 0.00 179.25 180.02 3kot h VAL 222 N 0.00 1.24 -0.33 0.00 2.07 -1.95 -1.27 116.25 116.01 3kot h VAL 222 Ca -0.00 -0.86 -0.05 0.00 0.82 0.00 0.00 66.70 66.61 3kot h VAL 222 Cb 0.06 1.28 -0.01 0.00 -1.52 0.00 0.00 31.29 31.09 3kot h VAL 222 CO 0.00 0.27 0.01 0.74 0.02 0.00 0.00 177.57 178.61 3kot h THR 223 N 0.26 1.26 -0.58 2.57 2.02 -1.83 -2.13 112.91 114.48 3kot h THR 223 Ca 0.08 -0.95 0.12 0.00 0.77 0.00 0.00 66.41 66.43 3kot h THR 223 Cb 0.38 1.22 -0.11 0.00 -1.74 0.00 0.00 68.15 67.90 3kot h THR 223 CO 0.01 0.31 -0.09 -0.03 0.37 0.00 0.00 175.52 176.09 3kot h MET 224 N 0.39 0.04 0.00 6.66 4.05 -1.15 -1.50 114.93 123.41 3kot h MET 224 Ca 0.09 -0.00 -0.06 0.00 -0.28 0.00 0.00 59.70 59.46 3kot h MET 224 Cb 0.44 -0.01 -0.01 0.00 -0.80 0.00 0.00 31.60 31.22 3kot h MET 224 CO 0.02 0.02 -0.27 -0.07 0.23 0.00 0.00 176.91 176.84 3kot h LEU 225 N 0.04 0.00 -0.27 3.39 -0.00 -1.00 0.59 115.31 118.06 3kot h LEU 225 Ca 0.29 0.00 -0.04 0.00 -0.00 0.00 0.00 57.88 58.13 3kot h LEU 225 Cb 0.45 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 41.10 3kot h LEU 225 CO -0.56 0.27 0.02 -0.33 -0.00 0.00 0.00 178.44 177.84 3kot h GLU 226 N 0.00 0.47 -0.83 1.13 4.39 -0.69 -1.45 114.58 117.60 3kot h GLU 226 Ca -0.00 -0.14 0.01 0.00 0.34 0.00 0.00 59.36 59.57 3kot h GLU 226 Cb 0.85 -0.05 -0.04 0.00 -0.10 0.00 0.00 28.75 29.41 3kot h GLU 226 CO 0.04 0.62 0.55 0.00 -1.16 0.00 0.00 179.01 179.05 3kot h ALA 227 N 0.84 1.06 -0.41 3.43 0.00 -0.76 -2.66 119.26 120.76 3kot h ALA 227 Ca 0.08 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.92 3kot h ALA 227 Cb 0.39 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 3kot h ALA 227 CO 0.01 0.44 0.19 0.00 0.00 0.00 0.00 179.25 179.89 3kot h ALA 228 N 1.31 0.54 -0.85 0.00 0.00 -0.81 -1.39 119.26 118.06 3kot h ALA 228 Ca 0.31 -0.12 0.09 0.00 0.00 0.00 0.00 54.91 55.19 3kot h ALA 228 Cb -0.11 -0.16 -0.06 0.00 0.00 0.00 0.00 17.79 17.46 3kot h ALA 228 CO -0.07 0.11 0.55 1.96 0.00 0.00 0.00 179.25 181.80 3kot h GLN 229 N 0.53 0.81 -0.02 0.00 4.20 -1.06 0.49 115.11 120.06 3kot h GLN 229 Ca 0.14 -0.05 0.00 0.00 0.06 0.00 0.00 58.65 58.80 3kot h GLN 229 Cb 0.14 -0.18 0.00 0.00 0.30 0.00 0.00 27.48 27.74 3kot h GLN 229 CO -0.02 0.54 0.00 0.00 -0.67 0.00 0.00 178.83 178.68 3kot n ALA 230 N -2.42 2.53 -2.00 3.87 0.00 -1.02 -4.80 120.51 116.67 3kot n ALA 230 Ca 0.14 -0.07 -0.12 0.00 0.00 0.00 0.00 53.44 53.40 3kot n ALA 230 Cb 0.30 -1.09 -0.02 0.00 0.00 0.00 0.00 19.45 18.65 3kot n ALA 230 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3kot n GLY 231 N 0.62 0.23 0.23 0.00 0.00 0.16 -4.92 105.19 101.52 3kot n GLY 231 Ca 0.05 -0.42 0.13 0.00 0.00 0.00 0.00 46.02 45.77 3kot n GLY 231 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 3kot h MET 232 N 0.00 0.00 0.00 1.61 2.86 -1.42 -3.48 114.93 114.49 3kot h MET 232 Ca -0.27 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.37 3kot h MET 232 Cb 1.09 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.75 3kot h MET 232 CO 0.33 0.08 0.00 0.41 1.06 0.00 0.00 176.91 178.79 3kot n GLY 233 N 0.59 -1.58 3.66 8.32 0.00 -1.26 -4.53 105.19 110.39 3kot n GLY 233 Ca 0.02 -1.10 -0.38 0.00 0.00 0.00 0.00 46.02 44.57 3kot n GLY 233 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3kot s VAL 234 N -2.72 5.27 0.43 1.61 1.01 -0.61 -4.55 120.40 120.84 3kot s VAL 234 Ca 0.00 0.45 -0.04 0.00 0.00 0.00 0.00 61.98 62.39 3kot s VAL 234 Cb 0.00 -3.62 -0.04 0.00 0.00 0.00 0.00 36.38 32.72 3kot s VAL 234 CO 0.00 0.28 0.70 0.00 0.00 0.00 0.00 175.10 176.08 3kot s ALA 235 N 1.29 3.50 -0.09 5.51 0.00 0.07 -0.76 121.76 131.28 3kot s ALA 235 Ca 0.13 -0.61 -0.00 0.00 0.00 0.00 0.00 51.96 51.48 3kot s ALA 235 Cb -0.14 -2.44 0.02 0.00 0.00 0.00 0.00 23.12 20.56 3kot s ALA 235 CO 0.07 -0.20 -0.06 -1.50 0.00 0.00 0.00 175.76 174.06 3kot s ILE 236 N -2.56 0.85 0.35 0.00 2.07 -1.20 -1.01 121.20 119.70 3kot s ILE 236 Ca 0.45 -0.20 -0.16 0.00 -1.41 0.00 0.00 60.65 59.33 3kot s ILE 236 Cb -0.10 -0.89 0.04 0.00 0.13 0.00 0.00 42.46 41.64 3kot s ILE 236 CO 0.41 0.33 0.73 0.00 -1.91 0.00 0.00 174.94 174.50 3kot s ALA 237 N 1.58 -0.68 -0.32 1.50 0.00 -1.20 -4.78 121.76 117.85 3kot s ALA 237 Ca 0.01 -0.73 -0.29 0.00 0.00 0.00 0.00 51.96 50.96 3kot s ALA 237 Cb -0.13 0.78 -0.01 0.00 0.00 0.00 0.00 23.12 23.77 3kot s ALA 237 CO -0.05 -0.97 1.53 -2.14 0.00 0.00 0.00 175.76 174.13 3kot s PRO 238 N -2.85 3.64 0.23 0.00 0.02 -1.26 -2.94 135.00 131.84 3kot s PRO 238 Ca 0.16 1.30 -0.06 0.00 0.02 0.00 0.00 61.00 62.42 3kot s PRO 238 Cb -0.05 -4.04 0.35 0.00 0.02 0.00 0.00 34.50 30.78 3kot s PRO 238 CO 0.11 -1.47 1.78 0.28 -0.33 0.00 0.00 177.00 177.37 3kot h VAL 239 N 6.36 0.85 0.00 3.83 2.07 -1.72 -2.53 116.25 125.11 3kot h VAL 239 Ca -0.30 -0.21 0.00 0.00 0.82 0.00 0.00 66.70 67.00 3kot h VAL 239 Cb 1.13 0.17 0.00 0.00 -1.52 0.00 0.00 31.29 31.07 3kot h VAL 239 CO 1.04 0.11 0.00 0.54 0.02 0.00 0.00 177.57 179.28 3kot n ARG 240 N -4.85 0.09 0.00 1.57 5.12 -1.26 -1.60 116.66 115.74 3kot n ARG 240 Ca 0.12 0.34 0.13 0.00 -1.93 0.00 0.00 57.85 56.51 3kot n ARG 240 Cb 0.28 -1.68 0.44 0.00 -1.16 0.00 0.00 32.46 30.34 3kot n ARG 240 CO 0.00 0.00 0.00 -1.33 -1.93 0.00 0.00 177.63 174.37 3kot n MET 241 N -1.86 0.67 -0.55 5.56 2.81 -0.95 -3.96 117.12 118.84 3kot n MET 241 Ca 0.03 -0.34 0.07 0.00 -1.81 0.00 0.00 57.70 55.64 3kot n MET 241 Cb 0.20 -1.49 0.15 0.00 -0.71 0.00 0.00 33.22 31.37 3kot n MET 241 CO 0.00 0.00 0.00 1.19 1.51 0.00 0.00 175.97 178.67 3kot n PHE 242 N -0.87 0.00 -0.29 2.03 3.72 -0.63 -4.05 117.46 117.37 3kot n PHE 242 Ca 0.12 -1.15 0.16 0.00 -0.05 0.00 0.00 57.45 56.53 3kot n PHE 242 Cb 0.32 -0.20 0.42 0.00 -0.94 0.00 0.00 39.48 39.09 3kot n PHE 242 CO 0.00 0.00 0.00 1.15 -0.05 0.00 0.00 176.76 177.86 3kot h THR 243 N 1.79 0.71 -0.99 4.37 2.02 -1.68 -0.98 112.91 118.16 3kot h THR 243 Ca -0.03 -0.20 0.01 0.00 0.77 0.00 0.00 66.41 66.97 3kot h THR 243 Cb 1.13 0.08 -0.05 0.00 -1.74 0.00 0.00 68.15 67.57 3kot h THR 243 CO 0.01 0.11 0.65 1.12 0.37 0.00 0.00 175.52 177.78 3kot h HIS 244 N 0.58 1.23 0.00 3.16 2.07 -1.91 0.50 115.15 120.79 3kot h HIS 244 Ca 0.51 0.03 -0.19 0.00 -2.85 0.00 0.00 60.37 57.87 3kot h HIS 244 Cb 1.01 -0.42 -0.03 0.00 2.57 0.00 0.00 27.41 30.55 3kot h HIS 244 CO -0.00 0.77 -0.88 -0.07 -3.07 0.00 0.00 177.93 174.67 3kot h LEU 245 N 1.32 0.00 -0.06 6.12 3.38 -1.59 -2.63 115.31 121.85 3kot h LEU 245 Ca 0.37 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 58.27 3kot h LEU 245 Cb -0.13 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.62 3kot h LEU 245 CO -0.08 0.88 -0.20 -0.07 0.09 0.00 0.00 178.44 179.06 3kot h LEU 246 N 0.00 0.27 -0.84 1.67 3.38 -0.96 0.50 115.31 119.34 3kot h LEU 246 Ca -0.01 -0.63 -0.06 0.00 0.09 0.00 0.00 57.88 57.27 3kot h LEU 246 Cb 1.59 -0.08 -0.03 0.00 0.09 0.00 0.00 40.66 42.23 3kot h LEU 246 CO 0.12 0.86 0.17 0.28 0.09 0.00 0.00 178.44 179.96 3kot h SER 247 N -0.29 0.98 0.18 -0.43 0.02 -0.97 -2.01 113.55 111.02 3kot h SER 247 Ca -0.01 -0.19 0.00 0.00 -0.84 0.00 0.00 61.79 60.75 3kot h SER 247 Cb 0.84 -0.26 0.00 0.00 0.14 0.00 0.00 62.40 63.12 3kot h SER 247 CO 0.04 0.93 -0.01 -1.54 -1.14 0.00 0.00 176.83 175.12 3kot n SER 248 N -4.25 0.13 -1.64 3.07 3.41 -0.99 -4.91 113.62 108.43 3kot n SER 248 Ca 0.05 -0.76 -0.16 0.00 -0.26 0.00 0.00 58.87 57.74 3kot n SER 248 Cb 0.24 -0.08 -0.02 0.00 -0.26 0.00 0.00 64.21 64.09 3kot n SER 248 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3kot n GLU 249 N -1.00 -1.21 0.16 4.33 1.02 -0.76 -4.90 120.64 118.27 3kot n GLU 249 Ca 0.20 0.84 0.08 0.00 -0.02 0.00 0.00 57.16 58.27 3kot n GLU 249 Cb 0.17 -5.16 0.07 0.00 -0.02 0.00 0.00 31.44 26.51 3kot n GLU 249 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3kot h ARG 250 N 0.00 0.00 -4.53 3.49 3.08 -1.17 -3.45 114.38 111.81 3kot h ARG 250 Ca -0.36 0.00 -0.25 0.00 0.07 0.00 0.00 59.98 59.44 3kot h ARG 250 Cb 1.21 0.00 -0.20 0.00 0.08 0.00 0.00 29.97 31.06 3kot h ARG 250 CO 0.45 0.16 -0.72 -1.50 -1.07 0.00 0.00 179.97 177.29 3kot s ILE 251 N -3.15 0.53 0.04 2.04 1.10 -0.81 -4.51 121.20 116.44 3kot s ILE 251 Ca 0.04 -1.27 0.07 0.00 -0.51 0.00 0.00 60.65 58.98 3kot s ILE 251 Cb 0.07 -0.84 -0.02 0.00 0.15 0.00 0.00 42.46 41.82 3kot s ILE 251 CO 0.73 -0.52 -0.21 -0.69 -2.11 0.00 0.00 174.94 172.15 3kot s VAL 252 N -1.94 1.67 -0.51 4.00 1.01 0.26 -4.26 120.40 120.62 3kot s VAL 252 Ca -0.05 -1.17 -0.13 0.00 0.00 0.00 0.00 61.98 60.62 3kot s VAL 252 Cb -0.06 -1.44 0.12 0.00 0.00 0.00 0.00 36.38 35.00 3kot s VAL 252 CO -0.01 0.23 0.44 -1.58 0.00 0.00 0.00 175.10 174.17 3kot s GLN 253 N -1.12 2.79 0.46 2.72 0.74 -1.26 -1.50 119.66 122.49 3kot s GLN 253 Ca 0.07 -1.72 0.25 0.00 0.05 0.00 0.00 55.36 54.02 3kot s GLN 253 Cb -0.09 -4.15 0.99 0.00 1.10 0.00 0.00 33.01 30.87 3kot s GLN 253 CO 0.02 -1.27 1.85 -1.00 -0.55 0.00 0.00 175.29 174.34 3kot h PRO 254 N 8.71 0.00 -5.55 1.67 0.13 -1.95 -3.45 132.00 131.57 3kot h PRO 254 Ca -0.27 0.00 -0.47 0.00 -0.87 0.00 0.00 66.00 64.39 3kot h PRO 254 Cb 1.09 0.00 -0.24 0.00 0.13 0.00 0.00 31.00 31.98 3kot h PRO 254 CO 0.96 0.19 -0.80 -0.06 -0.23 0.00 0.00 178.00 178.06 3kot s PHE 255 N -3.66 1.39 0.05 1.56 0.08 -1.26 -5.05 117.98 111.08 3kot s PHE 255 Ca 0.01 -0.38 0.13 0.00 0.12 0.00 0.00 56.93 56.81 3kot s PHE 255 Cb 0.10 -0.81 0.18 0.00 -0.57 0.00 0.00 43.02 41.92 3kot s PHE 255 CO 0.62 0.07 1.49 -0.07 -0.10 0.00 0.00 175.22 177.23 3kot h LEU 256 N 4.72 0.00 -9.69 -0.37 3.38 -1.99 -3.46 115.31 107.91 3kot h LEU 256 Ca -0.40 0.00 -0.53 0.00 0.09 0.00 0.00 57.88 57.04 3kot h LEU 256 Cb 1.18 0.00 0.05 0.00 0.09 0.00 0.00 40.66 41.98 3kot h LEU 256 CO 0.43 0.62 0.78 -0.89 0.09 0.00 0.00 178.44 179.46 3kot s THR 257 N -3.13 2.76 0.20 0.22 2.01 -1.26 -5.01 115.64 111.43 3kot s THR 257 Ca 0.02 0.60 0.08 0.00 0.31 0.00 0.00 61.69 62.70 3kot s THR 257 Cb 0.10 -3.39 -0.05 0.00 0.01 0.00 0.00 72.50 69.18 3kot s THR 257 CO 0.75 0.08 -0.15 -1.10 -0.69 0.00 0.00 174.62 173.51 3kot s GLN 258 N 0.16 1.33 0.15 4.92 -0.21 -1.26 -4.61 119.66 120.14 3kot s GLN 258 Ca 0.62 -1.57 0.06 0.00 0.02 0.00 0.00 55.36 54.50 3kot s GLN 258 Cb -0.41 -1.17 -0.04 0.00 1.00 0.00 0.00 33.01 32.39 3kot s GLN 258 CO 0.39 0.20 -0.14 0.96 -2.12 0.00 0.00 175.29 174.58 3kot s ILE 259 N -2.83 1.45 -0.33 1.08 -4.36 0.01 -4.87 121.20 111.34 3kot s ILE 259 Ca 0.22 -1.89 -0.04 0.00 -0.26 0.00 0.00 60.65 58.67 3kot s ILE 259 Cb -0.02 -1.72 0.06 0.00 1.25 0.00 0.00 42.46 42.03 3kot s ILE 259 CO 0.07 -0.49 0.07 -0.62 0.24 0.00 0.00 174.94 174.21 3kot s ASP 260 N -2.76 5.12 -0.13 4.36 -1.08 -1.26 -0.72 116.67 120.19 3kot s ASP 260 Ca 0.14 -1.35 0.17 0.00 -0.52 0.00 0.00 52.55 50.99 3kot s ASP 260 Cb -0.03 -1.79 0.34 0.00 -1.46 0.00 0.00 42.92 39.97 3kot s ASP 260 CO 0.04 -0.33 1.22 0.18 0.52 0.00 0.00 175.17 176.79 3kot n LEU 261 N 4.69 2.76 0.00 -1.34 4.77 -1.26 -5.07 117.00 121.55 3kot n LEU 261 Ca -0.11 -2.97 0.00 0.00 -0.03 0.00 0.00 56.01 52.90 3kot n LEU 261 Cb 0.43 -0.43 0.00 0.00 -2.33 0.00 0.00 43.42 41.10 3kot n LEU 261 CO 0.29 0.69 0.00 0.61 -1.33 0.00 0.00 177.39 177.65 3kot n GLY 262 N -1.07 3.64 3.19 -0.72 0.00 -1.26 -4.84 105.19 104.13 3kot n GLY 262 Ca 0.16 -1.14 -0.24 0.00 0.00 0.00 0.00 46.02 44.80 3kot n GLY 262 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3kot n SER 263 N 0.00 1.18 -4.78 1.61 7.64 -0.09 -3.96 113.62 115.21 3kot n SER 263 Ca 0.00 -3.07 -0.37 0.00 1.01 0.00 0.00 58.87 56.44 3kot n SER 263 Cb 0.00 0.99 -0.07 0.00 -1.01 0.00 0.00 64.21 64.13 3kot n SER 263 CO 0.00 0.00 0.00 -0.36 -3.01 0.00 0.00 175.04 171.67 3kot s PHE 264 N -3.02 3.54 0.08 1.43 0.08 0.22 -1.29 117.98 119.02 3kot s PHE 264 Ca 0.20 0.62 0.05 0.00 0.12 0.00 0.00 56.93 57.91 3kot s PHE 264 Cb 0.01 -2.21 -0.03 0.00 -0.57 0.00 0.00 43.02 40.22 3kot s PHE 264 CO 0.14 0.44 -0.12 -1.58 -0.10 0.00 0.00 175.22 174.00 3kot s TRP 265 N -0.19 1.13 -0.14 0.36 0.52 -0.23 -0.53 118.94 119.86 3kot s TRP 265 Ca 0.16 -0.51 0.00 0.00 0.02 0.00 0.00 56.10 55.77 3kot s TRP 265 Cb -0.13 -0.63 -0.01 0.00 -1.15 0.00 0.00 33.47 31.55 3kot s TRP 265 CO 0.05 0.04 -0.14 -1.50 0.02 0.00 0.00 176.95 175.41 3kot s ILE 266 N -1.59 2.86 0.00 2.03 2.07 0.35 -1.05 121.20 125.86 3kot s ILE 266 Ca -0.01 -0.72 0.05 0.00 -1.41 0.00 0.00 60.65 58.56 3kot s ILE 266 Cb -0.08 -2.20 -0.01 0.00 0.13 0.00 0.00 42.46 40.29 3kot s ILE 266 CO 0.02 0.52 -0.14 0.42 -1.91 0.00 0.00 174.94 173.84 3kot s THR 267 N 0.55 1.13 -0.07 4.00 -4.23 0.48 -0.44 115.64 117.06 3kot s THR 267 Ca -0.09 -0.72 0.05 0.00 -1.18 0.00 0.00 61.69 59.75 3kot s THR 267 Cb -0.16 -0.97 -0.00 0.00 1.34 0.00 0.00 72.50 72.71 3kot s THR 267 CO 0.04 0.23 -0.23 -0.60 -0.54 0.00 0.00 174.62 173.53 3kot s ARG 268 N -0.56 2.59 0.25 3.99 3.52 -0.34 -1.38 118.95 127.02 3kot s ARG 268 Ca 0.05 -0.82 -0.31 0.00 -0.13 0.00 0.00 55.73 54.52 3kot s ARG 268 Cb -0.06 -2.08 -0.12 0.00 -1.56 0.00 0.00 34.95 31.12 3kot s ARG 268 CO -0.00 0.25 1.56 1.28 -0.81 0.00 0.00 175.30 177.58 3kot n LEU 269 N 3.28 3.79 0.30 -0.88 4.77 -1.26 -0.78 117.00 126.21 3kot n LEU 269 Ca -0.19 1.13 0.18 0.00 -0.03 0.00 0.00 56.01 57.10 3kot n LEU 269 Cb 0.52 -1.52 0.90 0.00 -2.33 0.00 0.00 43.42 40.99 3kot n LEU 269 CO 0.26 -0.09 1.06 1.56 -1.33 0.00 0.00 177.39 178.86 3kot h GLN 270 N 5.02 0.00 -0.00 3.23 4.20 -1.64 0.11 115.11 126.03 3kot h GLN 270 Ca -0.46 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.25 3kot h GLN 270 Cb 1.24 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.02 3kot h GLN 270 CO 0.82 0.03 -0.01 -1.13 -0.67 0.00 0.00 178.83 177.87 3kot n SER 271 N -3.23 0.02 -4.67 1.46 3.41 -1.26 -4.71 113.62 104.63 3kot n SER 271 Ca -0.01 -0.03 -0.37 0.00 -0.26 0.00 0.00 58.87 58.19 3kot n SER 271 Cb 0.20 -0.32 -0.08 0.00 -0.26 0.00 0.00 64.21 63.75 3kot n SER 271 CO 0.00 0.00 0.00 -0.60 -0.16 0.00 0.00 175.04 174.28 3kot s ARG 272 N -2.65 4.13 0.24 4.33 6.06 0.37 -5.05 118.95 126.37 3kot s ARG 272 Ca 0.26 -0.01 -0.30 0.00 -2.50 0.00 0.00 55.73 53.17 3kot s ARG 272 Cb 0.20 -3.53 -0.10 0.00 0.06 0.00 0.00 34.95 31.57 3kot s ARG 272 CO 0.48 0.02 1.52 -2.14 -2.50 0.00 0.00 175.30 172.67 3kot s PRO 273 N 1.17 4.22 -0.31 5.12 0.02 -1.26 -4.77 135.00 139.18 3kot s PRO 273 Ca 0.14 2.39 -0.27 0.00 0.02 0.00 0.00 61.00 63.27 3kot s PRO 273 Cb -0.14 -3.10 0.01 0.00 0.02 0.00 0.00 34.50 31.29 3kot s PRO 273 CO 0.06 -0.53 0.99 -2.00 -0.33 0.00 0.00 177.00 175.20 3kot s GLU 274 N 0.04 4.04 0.56 5.54 2.12 -1.26 -5.04 118.70 124.69 3kot s GLU 274 Ca 0.63 0.94 -0.01 0.00 0.36 0.00 0.00 54.97 56.89 3kot s GLU 274 Cb -0.44 -3.73 0.02 0.00 0.26 0.00 0.00 34.13 30.24 3kot s GLU 274 CO 0.41 -0.84 0.81 0.95 -0.54 0.00 0.00 175.26 176.05 3kot s THR 275 N 3.45 3.10 0.25 -1.70 -4.23 -1.26 -4.94 115.64 110.31 3kot s THR 275 Ca 0.42 -0.45 -0.03 0.00 -1.18 0.00 0.00 61.69 60.45 3kot s THR 275 Cb -0.13 -3.20 0.23 0.00 1.34 0.00 0.00 72.50 70.75 3kot s THR 275 CO 0.14 -0.16 1.74 -0.65 -0.54 0.00 0.00 174.62 175.15 3kot h PRO 276 N 0.01 0.48 -0.28 3.99 0.11 -1.99 -2.06 132.00 132.26 3kot h PRO 276 Ca -0.44 -0.03 -0.15 0.00 0.11 0.00 0.00 66.00 65.49 3kot h PRO 276 Cb 1.28 -0.11 -0.01 0.00 0.11 0.00 0.00 31.00 32.28 3kot h PRO 276 CO 0.56 0.32 -0.43 0.00 -0.21 0.00 0.00 178.00 178.24 3kot h ALA 277 N 1.56 0.72 0.11 -0.75 0.00 -1.94 -2.05 119.26 116.91 3kot h ALA 277 Ca 0.44 -0.46 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 3kot h ALA 277 Cb 0.67 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.35 3kot h ALA 277 CO -0.40 0.67 -0.05 0.52 0.00 0.00 0.00 179.25 179.98 3kot h MET 278 N 0.56 -0.14 -0.93 0.00 2.86 -1.83 -0.61 114.93 114.84 3kot h MET 278 Ca 0.04 0.01 0.07 0.00 -2.06 0.00 0.00 59.70 57.76 3kot h MET 278 Cb 0.97 0.03 -0.07 0.00 0.06 0.00 0.00 31.60 32.60 3kot h MET 278 CO 0.09 -0.08 0.59 0.00 1.06 0.00 0.00 176.91 178.57 3kot h ARG 279 N -0.16 1.03 -0.25 1.72 3.08 -1.23 -0.01 114.38 118.55 3kot h ARG 279 Ca -0.01 -0.06 -0.09 0.00 0.07 0.00 0.00 59.98 59.88 3kot h ARG 279 Cb 0.13 -0.23 -0.00 0.00 0.08 0.00 0.00 29.97 29.94 3kot h ARG 279 CO 0.02 0.68 -0.21 0.93 -1.07 0.00 0.00 179.97 180.33 3kot h GLU 280 N 1.06 0.58 -0.56 0.04 5.08 -1.12 -1.11 114.58 118.56 3kot h GLU 280 Ca 0.41 -0.29 0.00 0.00 -1.00 0.00 0.00 59.36 58.47 3kot h GLU 280 Cb 0.18 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.41 3kot h GLU 280 CO -0.18 0.88 0.35 0.35 -1.00 0.00 0.00 179.01 179.41 3kot h PHE 281 N 0.30 0.72 -0.50 4.33 3.57 -0.82 -0.40 116.94 124.13 3kot h PHE 281 Ca 0.05 0.01 0.01 0.00 3.53 0.00 0.00 57.97 61.57 3kot h PHE 281 Cb 0.75 -0.24 -0.03 0.00 2.79 0.00 0.00 35.95 39.22 3kot h PHE 281 CO 0.07 0.47 0.32 0.77 -2.23 0.00 0.00 178.31 177.71 3kot h SER 282 N 0.75 0.54 -0.38 0.41 0.02 -0.90 -1.02 113.55 112.97 3kot h SER 282 Ca 0.20 -0.01 -0.01 0.00 -0.84 0.00 0.00 61.79 61.13 3kot h SER 282 Cb -0.05 -0.12 -0.02 0.00 0.14 0.00 0.00 62.40 62.35 3kot h SER 282 CO -0.04 0.39 0.19 -0.09 -1.14 0.00 0.00 176.83 176.13 3kot h ARG 283 N 0.64 0.54 -0.34 3.45 2.43 -0.95 -2.30 114.38 117.86 3kot h ARG 283 Ca 0.19 -0.08 -0.00 0.00 -0.81 0.00 0.00 59.98 59.29 3kot h ARG 283 Cb -0.04 -0.10 -0.02 0.00 -0.42 0.00 0.00 29.97 29.40 3kot h ARG 283 CO -0.06 0.47 0.21 2.35 -1.51 0.00 0.00 179.97 181.43 3kot h TRP 284 N 0.48 0.44 0.11 2.20 7.01 -0.80 -2.09 115.95 123.30 3kot h TRP 284 Ca 0.13 0.00 -0.01 0.00 2.11 0.00 0.00 58.89 61.13 3kot h TRP 284 Cb 0.10 -0.15 0.00 0.00 -2.10 0.00 0.00 29.16 27.02 3kot h TRP 284 CO -0.02 0.31 -0.05 1.25 -2.79 0.00 0.00 178.44 177.14 3kot h LEU 285 N 0.44 -0.13 -1.89 0.65 5.85 -1.01 0.34 115.31 119.56 3kot h LEU 285 Ca 0.12 -0.42 0.04 0.00 0.84 0.00 0.00 57.88 58.47 3kot h LEU 285 Cb -0.01 0.03 -0.01 0.00 0.37 0.00 0.00 40.66 41.04 3kot h LEU 285 CO -0.02 0.40 0.17 0.71 -0.34 0.00 0.00 178.44 179.36 3kot h THR 286 N -0.71 0.95 -0.05 1.05 1.35 -1.52 -1.73 112.91 112.25 3kot h THR 286 Ca -0.02 -0.05 -0.04 0.00 -0.55 0.00 0.00 66.41 65.76 3kot h THR 286 Cb 0.54 0.80 0.00 0.00 -1.73 0.00 0.00 68.15 67.76 3kot h THR 286 CO 0.02 0.03 -0.14 1.23 -0.25 0.00 0.00 175.52 176.41 3kot h GLY 287 N 0.14 0.20 2.00 5.82 0.00 -1.10 -3.17 103.07 106.96 3kot h GLY 287 Ca 0.11 -0.25 -0.04 0.00 0.00 0.00 0.00 47.33 47.14 3kot h GLY 287 CO -0.01 0.22 -0.20 -0.24 0.00 0.00 0.00 176.54 176.30 3kot h VAL 288 N -0.35 0.54 -0.06 4.60 3.04 -0.04 -2.46 116.25 121.53 3kot h VAL 288 Ca -0.00 -1.01 -0.12 0.00 -1.01 0.00 0.00 66.70 64.55 3kot h VAL 288 Cb 0.75 1.69 -0.01 0.00 -2.01 0.00 0.00 31.29 31.70 3kot h VAL 288 CO 0.03 0.20 -0.52 -0.07 -1.01 0.00 0.00 177.57 176.20 3kot h LEU 289 N 0.00 0.16 -1.33 3.16 3.38 -1.39 -3.51 115.31 115.78 3kot h LEU 289 Ca -0.00 -0.08 0.00 0.00 0.09 0.00 0.00 57.88 57.89 3kot h LEU 289 Cb 0.67 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.38 3kot h LEU 289 CO 0.03 0.65 0.00 1.57 0.09 0.00 0.00 178.44 180.78