#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k2i s GLN 95 N 0.00 2.72 -0.03 -0.78 1.11 -1.26 -4.90 119.66 116.53 2k2i s GLN 95 Ca 0.00 -0.11 -0.20 0.00 0.01 0.00 0.00 55.36 55.06 2k2i s GLN 95 Cb 0.00 -4.84 0.04 0.00 -1.01 0.00 0.00 33.01 27.19 2k2i s GLN 95 CO 0.00 -2.99 0.43 0.21 0.01 0.00 0.00 175.29 172.95 2k2i s LYS 96 N 6.73 0.78 0.02 2.91 2.47 -1.26 -5.17 119.74 126.23 2k2i s LYS 96 Ca 0.65 -0.02 -0.01 0.00 -1.56 0.00 0.00 55.97 55.03 2k2i s LYS 96 Cb -0.08 0.36 -0.04 0.00 -1.46 0.00 0.00 37.83 36.61 2k2i s LYS 96 CO 0.05 -0.22 0.14 -1.64 0.16 0.00 0.00 175.35 173.85 2k2i s MET 97 N -1.21 3.25 -0.07 4.03 -1.94 -1.26 -5.10 119.30 116.99 2k2i s MET 97 Ca -0.12 -0.45 -0.32 0.00 -1.71 0.00 0.00 55.69 53.09 2k2i s MET 97 Cb -0.04 -2.96 0.12 0.00 2.01 0.00 0.00 34.83 33.96 2k2i s MET 97 CO 0.06 0.64 1.13 -1.12 -0.01 0.00 0.00 175.02 175.71 2k2i s SER 98 N -2.07 -0.17 -0.40 3.03 0.01 -1.26 -5.11 113.70 107.73 2k2i s SER 98 Ca 0.28 -0.08 -0.08 0.00 1.31 0.00 0.00 55.95 57.38 2k2i s SER 98 Cb -0.12 0.24 0.07 0.00 0.21 0.00 0.00 66.02 66.41 2k2i s SER 98 CO 0.20 -0.41 0.22 -0.70 0.41 0.00 0.00 173.24 172.96 2k2i s GLU 99 N -2.67 2.59 -0.45 12.44 2.12 -1.26 -4.96 118.70 126.51 2k2i s GLU 99 Ca 0.10 -1.40 0.02 0.00 0.36 0.00 0.00 54.97 54.05 2k2i s GLU 99 Cb 0.00 -3.70 0.20 0.00 0.26 0.00 0.00 34.13 30.89 2k2i s GLU 99 CO -0.05 -0.89 0.88 1.63 -0.54 0.00 0.00 175.26 176.30 2k2i n LYS 100 N 4.88 0.39 0.00 4.30 4.76 -1.26 -5.15 118.16 126.09 2k2i n LYS 100 Ca -0.10 -1.56 0.00 0.00 -2.87 0.00 0.00 58.31 53.78 2k2i n LYS 100 Cb 0.43 -0.88 0.00 0.00 -1.84 0.00 0.00 35.03 32.74 2k2i n LYS 100 CO 0.00 0.00 0.00 -0.25 -1.37 0.00 0.00 177.40 175.78 2k2i n ASP 101 N 2.73 0.00 0.00 4.39 9.92 -1.26 -4.82 116.55 127.50 2k2i n ASP 101 Ca 0.15 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.41 2k2i n ASP 101 Cb 0.60 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 41.08 2k2i n ASP 101 CO 0.00 0.00 0.00 0.35 0.13 0.00 0.00 177.20 177.68 2k2i n THR 102 N 0.00 0.00 0.16 -3.53 -2.24 -1.26 -0.39 114.28 107.01 2k2i n THR 102 Ca 0.00 1.07 0.02 0.00 -2.27 0.00 0.00 64.05 62.87 2k2i n THR 102 Cb 0.00 -2.01 0.36 0.00 -2.10 0.00 0.00 70.33 66.58 2k2i n THR 102 CO 0.00 0.00 0.00 0.50 -0.57 0.00 0.00 175.07 175.00 2k2i h LYS 103 N 0.00 0.11 -0.36 -0.78 3.11 -1.99 0.75 116.57 117.41 2k2i h LYS 103 Ca 0.00 -0.04 -0.14 0.00 -2.81 0.00 0.00 60.65 57.66 2k2i h LYS 103 Cb 0.00 -0.01 -0.01 0.00 -1.00 0.00 0.00 32.23 31.21 2k2i h LYS 103 CO 0.00 0.39 -0.35 1.05 -2.81 0.00 0.00 179.45 177.74 2k2i h GLU 104 N 0.10 0.83 -0.25 1.90 4.11 -1.97 0.15 114.58 119.45 2k2i h GLU 104 Ca 0.01 -0.41 -0.12 0.00 0.07 0.00 0.00 59.36 58.92 2k2i h GLU 104 Cb 0.57 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.81 2k2i h GLU 104 CO 0.04 1.05 -0.33 1.49 0.07 0.00 0.00 179.01 181.33 2k2i h GLU 105 N 0.69 0.53 0.11 1.06 4.81 -0.04 0.31 114.58 122.05 2k2i h GLU 105 Ca 0.07 -0.24 0.01 0.00 -0.13 0.00 0.00 59.36 59.07 2k2i h GLU 105 Cb 0.91 -0.01 -0.02 0.00 0.63 0.00 0.00 28.75 30.26 2k2i h GLU 105 CO 0.08 0.79 -0.15 0.82 -0.73 0.00 0.00 179.01 179.83 2k2i h ILE 106 N 0.45 0.67 -0.57 2.32 2.04 -0.68 0.34 117.51 122.08 2k2i h ILE 106 Ca 0.05 0.00 0.05 0.00 1.00 0.00 0.00 64.86 65.96 2k2i h ILE 106 Cb 0.80 0.67 -0.05 0.00 -0.74 0.00 0.00 36.82 37.49 2k2i h ILE 106 CO 0.06 0.00 0.31 -0.07 0.00 0.00 0.00 178.15 178.45 2k2i h LEU 107 N -0.30 0.46 -0.49 1.44 3.38 -0.52 0.18 115.31 119.45 2k2i h LEU 107 Ca 0.02 0.02 0.01 0.00 0.09 0.00 0.00 57.88 58.01 2k2i h LEU 107 Cb 0.31 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 40.97 2k2i h LEU 107 CO -0.07 0.31 0.33 0.50 0.09 0.00 0.00 178.44 179.60 2k2i h LYS 108 N 0.59 0.65 -0.36 1.13 1.63 -0.21 -0.17 116.57 119.83 2k2i h LYS 108 Ca 0.25 -0.04 -0.00 0.00 -0.85 0.00 0.00 60.65 60.01 2k2i h LYS 108 Cb 0.13 -0.15 -0.02 0.00 -0.60 0.00 0.00 32.23 31.60 2k2i h LYS 108 CO -0.15 0.43 0.22 0.00 -3.45 0.00 0.00 179.45 176.49 2k2i h ALA 109 N 1.18 0.45 -0.59 5.00 0.00 -0.05 0.48 119.26 125.74 2k2i h ALA 109 Ca 0.18 -0.05 0.08 0.00 0.00 0.00 0.00 54.91 55.12 2k2i h ALA 109 Cb -0.08 -0.14 -0.06 0.00 0.00 0.00 0.00 17.79 17.51 2k2i h ALA 109 CO -0.04 -0.05 0.25 0.35 0.00 0.00 0.00 179.25 179.75 2k2i h PHE 110 N 0.46 0.43 0.00 0.00 3.57 -0.34 -1.70 116.94 119.37 2k2i h PHE 110 Ca 0.13 0.03 -0.06 0.00 3.53 0.00 0.00 57.97 61.59 2k2i h PHE 110 Cb -0.00 -0.11 -0.01 0.00 2.79 0.00 0.00 35.95 38.62 2k2i h PHE 110 CO -0.04 0.14 -0.30 0.87 -2.23 0.00 0.00 178.31 176.75 2k2i h LYS 111 N 0.45 0.00 0.00 1.11 1.79 -0.78 0.34 116.57 119.48 2k2i h LYS 111 Ca 0.29 0.00 -0.08 0.00 -2.18 0.00 0.00 60.65 58.67 2k2i h LYS 111 Cb 0.31 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 30.95 2k2i h LYS 111 CO -0.26 0.30 -0.40 -0.07 -1.08 0.00 0.00 179.45 177.94 2k2i h LEU 112 N 0.00 0.00 0.08 2.94 3.38 -0.04 -3.16 115.31 118.51 2k2i h LEU 112 Ca -0.00 0.00 -0.21 0.00 0.09 0.00 0.00 57.88 57.76 2k2i h LEU 112 Cb 0.66 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.40 2k2i h LEU 112 CO 0.04 0.40 -1.08 -0.26 0.09 0.00 0.00 178.44 177.63 2k2i h PHE 113 N 0.00 0.29 -1.59 1.13 -1.00 -1.07 -3.41 116.94 111.29 2k2i h PHE 113 Ca -0.00 -0.21 -0.76 0.00 2.81 0.00 0.00 57.97 59.81 2k2i h PHE 113 Cb 0.80 -0.01 -0.16 0.00 3.61 0.00 0.00 35.95 40.18 2k2i h PHE 113 CO 0.00 1.42 1.85 -3.47 -1.61 0.00 0.00 178.31 176.51 2k2i n ASP 114 N -4.16 5.16 -0.36 2.17 2.03 0.12 -4.54 116.55 116.97 2k2i n ASP 114 Ca -0.23 -3.10 -0.01 0.00 0.52 0.00 0.00 54.79 51.97 2k2i n ASP 114 Cb 0.78 -1.49 0.12 0.00 -0.72 0.00 0.00 41.12 39.81 2k2i n ASP 114 CO 0.00 0.00 0.00 0.44 -1.92 0.00 0.00 177.20 175.72 2k2i h ASP 115 N 5.99 1.09 1.07 1.67 3.32 -1.78 -3.22 116.42 124.56 2k2i h ASP 115 Ca 0.37 -0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.40 2k2i h ASP 115 Cb 0.67 -0.26 0.00 0.00 0.22 0.00 0.00 39.33 39.96 2k2i h ASP 115 CO 1.54 0.77 -0.01 0.47 -1.72 0.00 0.00 179.24 180.30 2k2i n ASP 116 N -4.43 0.13 -2.32 6.45 8.00 -1.26 -4.92 116.55 118.20 2k2i n ASP 116 Ca 0.12 0.51 -0.11 0.00 0.71 0.00 0.00 54.79 56.02 2k2i n ASP 116 Cb 0.05 -0.54 0.05 0.00 -0.02 0.00 0.00 41.12 40.66 2k2i n ASP 116 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 2k2i n GLU 117 N -1.62 -3.90 0.00 -1.24 -0.58 -1.22 -4.97 120.64 107.11 2k2i n GLU 117 Ca 0.07 0.47 0.11 0.00 -0.42 0.00 0.00 57.16 57.38 2k2i n GLU 117 Cb 0.35 -4.38 -0.07 0.00 -0.57 0.00 0.00 31.44 26.78 2k2i n GLU 117 CO 0.00 0.00 0.00 -2.37 -0.48 0.00 0.00 177.13 174.28 2k2i n THR 118 N -3.06 0.03 -0.80 2.62 5.66 -1.26 -4.97 114.28 112.49 2k2i n THR 118 Ca -0.12 -0.13 0.00 0.00 -3.05 0.00 0.00 64.05 60.76 2k2i n THR 118 Cb 0.58 0.62 0.00 0.00 -1.55 0.00 0.00 70.33 69.98 2k2i n THR 118 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2k2i n GLY 119 N 1.44 0.56 3.05 1.09 0.00 -1.26 -5.02 105.19 105.05 2k2i n GLY 119 Ca 0.02 -0.31 -0.12 0.00 0.00 0.00 0.00 46.02 45.62 2k2i n GLY 119 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2k2i s LYS 120 N -0.69 0.50 -0.52 1.61 -0.14 -1.26 -4.49 119.74 114.74 2k2i s LYS 120 Ca 0.00 -0.76 -0.15 0.00 -1.36 0.00 0.00 55.97 53.70 2k2i s LYS 120 Cb 0.00 -0.19 0.12 0.00 -1.68 0.00 0.00 37.83 36.08 2k2i s LYS 120 CO 0.00 0.02 0.46 0.42 -0.76 0.00 0.00 175.35 175.49 2k2i s ILE 121 N -1.56 5.06 0.96 2.17 1.01 0.13 -4.56 121.20 124.40 2k2i s ILE 121 Ca -0.10 -1.49 -0.15 0.00 0.00 0.00 0.00 60.65 58.91 2k2i s ILE 121 Cb -0.09 -4.22 0.21 0.00 0.01 0.00 0.00 42.46 38.37 2k2i s ILE 121 CO -0.00 -0.82 1.31 -0.94 0.00 0.00 0.00 174.94 174.49 2k2i s SER 122 N 3.34 3.04 0.35 3.58 1.04 -1.26 -0.06 113.70 123.73 2k2i s SER 122 Ca 0.03 0.10 0.02 0.00 0.48 0.00 0.00 55.95 56.58 2k2i s SER 122 Cb -0.29 -0.10 0.63 0.00 0.10 0.00 0.00 66.02 66.36 2k2i s SER 122 CO 0.03 -2.76 1.99 0.15 0.98 0.00 0.00 173.24 173.63 2k2i h PHE 123 N -1.60 0.78 -0.62 5.02 3.57 -1.93 0.66 116.94 122.82 2k2i h PHE 123 Ca -0.43 0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.07 2k2i h PHE 123 Cb 1.22 -0.26 -0.03 0.00 2.79 0.00 0.00 35.95 39.68 2k2i h PHE 123 CO -1.26 0.51 0.36 -0.22 -2.23 0.00 0.00 178.31 175.47 2k2i h LYS 124 N 0.82 0.85 -0.38 1.11 1.63 -1.98 0.32 116.57 118.95 2k2i h LYS 124 Ca 0.22 -0.09 -0.14 0.00 -0.85 0.00 0.00 60.65 59.79 2k2i h LYS 124 Cb -0.05 -0.17 -0.01 0.00 -0.60 0.00 0.00 32.23 31.40 2k2i h LYS 124 CO -0.04 0.62 -0.32 -0.91 -3.45 0.00 0.00 179.45 175.35 2k2i h ASN 125 N 0.84 0.89 -0.09 4.20 4.21 -1.69 0.22 115.58 124.15 2k2i h ASN 125 Ca 0.22 -0.37 0.02 0.00 1.21 0.00 0.00 56.30 57.38 2k2i h ASN 125 Cb 0.00 -0.25 -0.02 0.00 -1.12 0.00 0.00 38.32 36.93 2k2i h ASN 125 CO -0.04 1.13 -0.04 0.25 -1.29 0.00 0.00 177.43 177.44 2k2i h LEU 126 N 0.71 -0.15 -1.06 1.61 7.12 -0.66 -2.93 115.31 119.96 2k2i h LEU 126 Ca 0.08 0.04 0.01 0.00 0.13 0.00 0.00 57.88 58.13 2k2i h LEU 126 Cb 0.88 0.08 -0.05 0.00 -0.53 0.00 0.00 40.66 41.04 2k2i h LEU 126 CO 0.08 -0.06 0.64 0.50 -0.13 0.00 0.00 178.44 179.46 2k2i h LYS 127 N -0.04 1.26 -0.34 1.25 3.64 0.04 0.53 116.57 122.92 2k2i h LYS 127 Ca 0.05 -0.08 0.07 0.00 -1.27 0.00 0.00 60.65 59.43 2k2i h LYS 127 Cb 0.12 -0.29 -0.08 0.00 -0.41 0.00 0.00 32.23 31.57 2k2i h LYS 127 CO -0.12 0.84 -0.28 0.00 -2.27 0.00 0.00 179.45 177.62 2k2i h ARG 128 N 1.30 -0.23 -0.29 1.90 2.47 -0.41 0.49 114.38 119.61 2k2i h ARG 128 Ca 0.35 0.02 -0.18 0.00 -1.26 0.00 0.00 59.98 58.91 2k2i h ARG 128 Cb -0.15 0.05 -0.00 0.00 -1.65 0.00 0.00 29.97 28.22 2k2i h ARG 128 CO -0.08 -0.16 -0.53 -0.39 0.56 0.00 0.00 179.97 179.37 2k2i h VAL 129 N -0.24 1.28 -0.77 2.04 -1.51 -1.36 -2.46 116.25 113.23 2k2i h VAL 129 Ca 0.16 -1.72 0.04 0.00 -1.23 0.00 0.00 66.70 63.96 2k2i h VAL 129 Cb 0.50 1.61 -0.05 0.00 -2.13 0.00 0.00 31.29 31.23 2k2i h VAL 129 CO -0.48 0.56 0.51 0.00 -1.23 0.00 0.00 177.57 176.93 2k2i h ALA 130 N 0.72 1.57 0.00 5.19 0.00 -0.30 -0.27 119.26 126.17 2k2i h ALA 130 Ca 0.02 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.89 2k2i h ALA 130 Cb 1.14 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.68 2k2i h ALA 130 CO 0.12 0.34 -0.09 1.57 0.00 0.00 0.00 179.25 181.19 2k2i h LYS 131 N 0.92 0.00 0.03 0.00 5.09 0.00 0.66 116.57 123.27 2k2i h LYS 131 Ca 0.32 0.00 -0.23 0.00 0.09 0.00 0.00 60.65 60.83 2k2i h LYS 131 Cb 0.10 0.00 -0.00 0.00 0.10 0.00 0.00 32.23 32.43 2k2i h LYS 131 CO -0.10 0.00 -0.99 0.93 -2.09 0.00 0.00 179.45 177.21 2k2i h GLU 132 N 0.00 0.28 -0.02 0.07 4.39 -0.80 -3.25 114.58 115.25 2k2i h GLU 132 Ca 0.00 -0.34 -0.02 0.00 0.34 0.00 0.00 59.36 59.34 2k2i h GLU 132 Cb 0.88 0.11 0.00 0.00 -0.10 0.00 0.00 28.75 29.63 2k2i h GLU 132 CO 0.00 1.07 -0.06 -0.07 -1.16 0.00 0.00 179.01 178.79 2k2i h LEU 133 N 0.14 0.10 0.00 1.33 -0.00 -1.06 -3.50 115.31 112.31 2k2i h LEU 133 Ca -0.08 -0.61 0.00 0.00 -0.00 0.00 0.00 57.88 57.20 2k2i h LEU 133 Cb 1.65 -0.03 0.00 0.00 -0.00 0.00 0.00 40.66 42.28 2k2i h LEU 133 CO 0.16 0.69 0.00 0.61 -0.00 0.00 0.00 178.44 179.90 2k2i n GLY 134 N 0.55 1.56 3.62 0.83 0.00 0.23 -5.01 105.19 106.97 2k2i n GLY 134 Ca -0.09 -0.85 -0.43 0.00 0.00 0.00 0.00 46.02 44.66 2k2i n GLY 134 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2k2i s GLU 135 N -1.21 3.48 -0.09 1.61 8.01 -1.04 -4.80 118.70 124.66 2k2i s GLU 135 Ca 0.00 2.08 0.14 0.00 0.01 0.00 0.00 54.97 57.21 2k2i s GLU 135 Cb 0.00 -4.27 0.48 0.00 -4.31 0.00 0.00 34.13 26.03 2k2i s GLU 135 CO 0.00 -1.70 1.40 0.09 0.01 0.00 0.00 175.26 175.05 2k2i n ASN 136 N 10.15 3.67 -4.17 -0.19 5.03 -1.26 -4.95 115.26 123.54 2k2i n ASN 136 Ca 0.25 -2.49 -0.15 0.00 0.87 0.00 0.00 54.58 53.06 2k2i n ASN 136 Cb 0.44 -0.42 -0.11 0.00 -1.02 0.00 0.00 39.78 38.67 2k2i n ASN 136 CO 0.00 0.00 0.00 -1.48 -1.83 0.00 0.00 177.26 173.95 2k2i s LEU 137 N -1.89 2.36 0.55 3.41 2.34 -1.26 -5.15 118.68 119.04 2k2i s LEU 137 Ca 0.36 -0.74 -0.14 0.00 0.06 0.00 0.00 54.13 53.67 2k2i s LEU 137 Cb 0.25 -0.36 -0.06 0.00 -0.56 0.00 0.00 46.19 45.45 2k2i s LEU 137 CO 0.15 -0.20 0.99 -0.89 -1.06 0.00 0.00 176.35 175.34 2k2i s THR 138 N -2.05 4.61 0.44 5.48 2.01 -1.26 -4.94 115.64 119.94 2k2i s THR 138 Ca 0.03 1.06 0.16 0.00 0.31 0.00 0.00 61.69 63.24 2k2i s THR 138 Cb -0.05 -3.78 0.35 0.00 0.01 0.00 0.00 72.50 69.02 2k2i s THR 138 CO 0.01 -0.86 1.96 0.44 -0.69 0.00 0.00 174.62 175.47 2k2i h ASP 139 N 0.45 0.34 -0.99 3.53 3.32 -2.00 0.75 116.42 121.82 2k2i h ASP 139 Ca -0.46 0.01 0.18 0.00 0.02 0.00 0.00 57.03 56.79 2k2i h ASP 139 Cb 1.19 -0.06 -0.10 0.00 0.22 0.00 0.00 39.33 40.58 2k2i h ASP 139 CO 0.62 0.19 0.61 -0.08 -1.72 0.00 0.00 179.24 178.86 2k2i h GLU 140 N 0.37 0.74 -0.04 3.56 4.57 -1.98 0.43 114.58 122.22 2k2i h GLU 140 Ca 0.31 -0.04 -0.24 0.00 -1.18 0.00 0.00 59.36 58.21 2k2i h GLU 140 Cb 0.71 -0.17 0.02 0.00 -0.16 0.00 0.00 28.75 29.15 2k2i h GLU 140 CO -0.09 0.49 -0.90 0.93 -1.18 0.00 0.00 179.01 178.26 2k2i h GLU 141 N 0.76 0.68 -0.85 1.92 4.39 -1.21 0.15 114.58 120.41 2k2i h GLU 141 Ca 0.55 -0.68 -0.02 0.00 0.34 0.00 0.00 59.36 59.56 2k2i h GLU 141 Cb 0.87 0.18 -0.04 0.00 -0.10 0.00 0.00 28.75 29.66 2k2i h GLU 141 CO -0.34 1.27 0.46 -0.07 -1.16 0.00 0.00 179.01 179.17 2k2i h LEU 142 N 0.34 1.07 -0.22 1.33 -0.00 -1.32 0.92 115.31 117.43 2k2i h LEU 142 Ca -0.10 -0.10 0.00 0.00 -0.00 0.00 0.00 57.88 57.68 2k2i h LEU 142 Cb 1.55 -0.27 -0.01 0.00 -0.00 0.00 0.00 40.66 41.93 2k2i h LEU 142 CO 0.18 0.87 0.14 -0.61 -0.00 0.00 0.00 178.44 179.01 2k2i h GLN 143 N 1.19 0.29 -0.71 1.13 4.15 -0.84 -2.34 115.11 117.98 2k2i h GLN 143 Ca 0.30 -0.02 0.07 0.00 0.77 0.00 0.00 58.65 59.76 2k2i h GLN 143 Cb 0.04 -0.06 -0.06 0.00 0.21 0.00 0.00 27.48 27.61 2k2i h GLN 143 CO -0.05 0.21 0.39 1.49 -1.93 0.00 0.00 178.83 178.95 2k2i h GLU 144 N 0.28 0.69 -0.70 1.69 4.57 -0.31 0.89 114.58 121.70 2k2i h GLU 144 Ca 0.08 -0.04 0.09 0.00 -1.18 0.00 0.00 59.36 58.31 2k2i h GLU 144 Cb -0.01 -0.16 -0.07 0.00 -0.16 0.00 0.00 28.75 28.35 2k2i h GLU 144 CO -0.02 0.46 0.35 0.52 -1.18 0.00 0.00 179.01 179.14 2k2i h MET 145 N 0.72 0.58 -0.03 1.92 2.86 -0.72 0.15 114.93 120.40 2k2i h MET 145 Ca 0.32 -0.03 -0.00 0.00 -2.06 0.00 0.00 59.70 57.92 2k2i h MET 145 Cb 0.22 -0.13 -0.00 0.00 0.06 0.00 0.00 31.60 31.75 2k2i h MET 145 CO -0.20 0.38 0.01 0.82 1.06 0.00 0.00 176.91 178.99 2k2i h ILE 146 N 0.60 1.12 -0.54 -1.22 1.08 -0.83 -2.39 117.51 115.32 2k2i h ILE 146 Ca 0.34 -0.35 -0.04 0.00 -0.39 0.00 0.00 64.86 64.43 2k2i h ILE 146 Cb 0.35 1.29 -0.02 0.00 -3.07 0.00 0.00 36.82 35.37 2k2i h ILE 146 CO -0.26 0.09 0.19 -0.78 -0.69 0.00 0.00 178.15 176.70 2k2i h ASP 147 N -0.09 0.76 0.74 1.72 3.58 -0.34 -1.95 116.42 120.85 2k2i h ASP 147 Ca 0.01 -0.19 -0.08 0.00 0.42 0.00 0.00 57.03 57.19 2k2i h ASP 147 Cb 0.14 -0.20 -0.01 0.00 1.72 0.00 0.00 39.33 40.98 2k2i h ASP 147 CO -0.00 0.75 -0.38 -0.08 -2.88 0.00 0.00 179.24 176.65 2k2i h GLU 148 N 0.74 0.00 0.67 0.28 4.57 -0.82 -3.31 114.58 116.70 2k2i h GLU 148 Ca 0.18 0.00 -0.03 0.00 -1.18 0.00 0.00 59.36 58.32 2k2i h GLU 148 Cb 0.24 0.00 0.01 0.00 -0.16 0.00 0.00 28.75 28.84 2k2i h GLU 148 CO -0.01 0.38 -0.32 0.00 -1.18 0.00 0.00 179.01 177.88 2k2i h ALA 149 N 1.62 -0.90 -1.29 2.92 0.00 -0.83 -3.42 119.26 117.37 2k2i h ALA 149 Ca -0.00 -0.20 -0.44 0.00 0.00 0.00 0.00 54.91 54.26 2k2i h ALA 149 Cb 0.85 0.35 -0.04 0.00 0.00 0.00 0.00 17.79 18.95 2k2i h ALA 149 CO 0.05 -0.84 1.20 0.34 0.00 0.00 0.00 179.25 180.00 2k2i s ASP 150 N -4.53 5.21 -0.10 0.00 2.15 -0.86 -4.76 116.67 113.78 2k2i s ASP 150 Ca -0.14 0.10 -0.02 0.00 0.43 0.00 0.00 52.55 52.92 2k2i s ASP 150 Cb 0.01 -2.54 -0.26 0.00 -0.30 0.00 0.00 42.92 39.84 2k2i s ASP 150 CO 0.41 -2.49 0.44 -1.14 -0.17 0.00 0.00 175.17 172.22 2k2i n ARG 151 N 9.10 0.73 -0.17 4.34 3.00 -1.26 -4.18 116.66 128.22 2k2i n ARG 151 Ca 0.26 0.27 -0.09 0.00 -0.00 0.00 0.00 57.85 58.29 2k2i n ARG 151 Cb 0.51 -1.73 0.01 0.00 0.00 0.00 0.00 32.46 31.24 2k2i n ARG 151 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.63 177.19 2k2i h ASP 152 N 0.06 0.71 -0.44 6.15 3.32 -2.00 -3.48 116.42 120.74 2k2i h ASP 152 Ca -0.39 -0.20 0.00 0.00 0.02 0.00 0.00 57.03 56.46 2k2i h ASP 152 Cb 2.03 -0.19 0.00 0.00 0.22 0.00 0.00 39.33 41.40 2k2i h ASP 152 CO 0.09 0.73 0.00 0.61 -1.72 0.00 0.00 179.24 178.94 2k2i n GLY 153 N -0.69 0.73 0.37 2.75 0.00 -1.26 -5.07 105.19 102.02 2k2i n GLY 153 Ca 0.01 -0.69 -0.18 0.00 0.00 0.00 0.00 46.02 45.16 2k2i n GLY 153 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2k2i n ASP 154 N -0.17 1.49 0.00 1.61 -0.08 -1.26 -5.04 116.55 113.10 2k2i n ASP 154 Ca 0.00 0.25 0.00 0.00 -1.51 0.00 0.00 54.79 53.53 2k2i n ASP 154 Cb 0.07 -0.61 0.00 0.00 2.34 0.00 0.00 41.12 42.93 2k2i n ASP 154 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2k2i n GLY 155 N 1.79 3.64 3.58 0.27 0.00 -1.26 -5.08 105.19 108.13 2k2i n GLY 155 Ca -0.33 -1.00 -0.24 0.00 0.00 0.00 0.00 46.02 44.45 2k2i n GLY 155 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2k2i s GLU 156 N 0.00 2.08 -0.38 1.61 2.02 -1.26 -4.89 118.70 117.88 2k2i s GLU 156 Ca 0.00 -1.47 -0.17 0.00 0.02 0.00 0.00 54.97 53.34 2k2i s GLU 156 Cb 0.00 -2.06 0.00 0.00 0.10 0.00 0.00 34.13 32.17 2k2i s GLU 156 CO 0.00 0.37 0.47 0.08 0.02 0.00 0.00 175.26 176.20 2k2i s VAL 157 N -2.23 5.05 0.59 2.63 1.01 0.91 -4.84 120.40 123.53 2k2i s VAL 157 Ca 0.29 0.05 -0.07 0.00 0.00 0.00 0.00 61.98 62.26 2k2i s VAL 157 Cb -0.07 -3.98 -0.00 0.00 0.00 0.00 0.00 36.38 32.33 2k2i s VAL 157 CO 0.18 -0.29 0.92 -0.94 0.00 0.00 0.00 175.10 174.97 2k2i s SER 158 N 1.80 5.74 0.35 3.32 1.04 -1.26 0.19 113.70 124.87 2k2i s SER 158 Ca 0.16 0.88 0.12 0.00 0.48 0.00 0.00 55.95 57.59 2k2i s SER 158 Cb -0.16 -1.91 0.64 0.00 0.10 0.00 0.00 66.02 64.69 2k2i s SER 158 CO 0.14 -1.01 1.78 1.05 0.98 0.00 0.00 173.24 176.18 2k2i h GLU 159 N -0.20 0.00 -0.44 4.02 -0.00 -1.97 -0.53 114.58 115.48 2k2i h GLU 159 Ca -0.45 -0.00 0.03 0.00 -0.00 0.00 0.00 59.36 58.93 2k2i h GLU 159 Cb 1.24 -0.00 -0.02 0.00 -0.00 0.00 0.00 28.75 29.97 2k2i h GLU 159 CO 0.61 0.43 0.29 -0.56 -0.00 0.00 0.00 179.01 179.78 2k2i h GLN 160 N 0.00 0.48 0.05 1.06 3.07 -1.97 0.14 115.11 117.93 2k2i h GLN 160 Ca -0.00 -0.03 -0.10 0.00 0.09 0.00 0.00 58.65 58.61 2k2i h GLN 160 Cb 0.75 -0.11 0.00 0.00 0.08 0.00 0.00 27.48 28.21 2k2i h GLN 160 CO 0.06 0.31 -0.48 1.49 0.09 0.00 0.00 178.83 180.30 2k2i h GLU 161 N 0.49 0.10 -0.48 0.06 4.57 -1.70 -3.30 114.58 114.32 2k2i h GLU 161 Ca 0.17 -0.17 0.10 0.00 -1.18 0.00 0.00 59.36 58.28 2k2i h GLU 161 Cb 0.09 0.06 -0.09 0.00 -0.16 0.00 0.00 28.75 28.66 2k2i h GLU 161 CO -0.04 1.08 -0.07 0.35 -1.18 0.00 0.00 179.01 179.15 2k2i h PHE 162 N -0.78 -0.16 0.00 0.92 3.57 -0.95 -1.70 116.94 117.85 2k2i h PHE 162 Ca -0.11 0.04 -0.02 0.00 3.53 0.00 0.00 57.97 61.41 2k2i h PHE 162 Cb 1.27 0.14 -0.00 0.00 2.79 0.00 0.00 35.95 40.15 2k2i h PHE 162 CO 0.22 -0.17 -0.12 1.37 -2.23 0.00 0.00 178.31 177.39 2k2i h LEU 163 N 0.05 0.00 -0.07 0.59 8.10 -0.89 -2.58 115.31 120.51 2k2i h LEU 163 Ca 0.24 0.00 -0.01 0.00 0.11 0.00 0.00 57.88 58.22 2k2i h LEU 163 Cb 0.36 0.00 -0.00 0.00 -0.44 0.00 0.00 40.66 40.58 2k2i h LEU 163 CO -0.46 0.12 0.01 0.03 -4.11 0.00 0.00 178.44 174.03 2k2i h ARG 164 N 0.00 0.12 0.00 0.17 3.08 -1.39 0.15 114.38 116.51 2k2i h ARG 164 Ca -0.00 -0.03 -0.09 0.00 0.07 0.00 0.00 59.98 59.92 2k2i h ARG 164 Cb 0.38 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.40 2k2i h ARG 164 CO 0.02 0.36 -0.45 -0.84 -1.07 0.00 0.00 179.97 177.99 2k2i h ILE 165 N -0.14 1.22 -0.10 2.04 -0.00 -1.42 0.21 117.51 119.33 2k2i h ILE 165 Ca 0.02 -1.60 -0.04 0.00 -0.00 0.00 0.00 64.86 63.24 2k2i h ILE 165 Cb 0.30 1.89 -0.00 0.00 -0.00 0.00 0.00 36.82 39.01 2k2i h ILE 165 CO 0.00 0.44 -0.10 0.24 -0.00 0.00 0.00 178.15 178.73 2k2i h MET 166 N 0.00 0.24 -0.24 0.16 2.86 -1.46 -1.58 114.93 114.91 2k2i h MET 166 Ca -0.00 -0.13 -0.03 0.00 -2.06 0.00 0.00 59.70 57.48 2k2i h MET 166 Cb 0.85 0.01 -0.01 0.00 0.06 0.00 0.00 31.60 32.50 2k2i h MET 166 CO 0.06 0.67 0.02 -0.22 1.06 0.00 0.00 176.91 178.49 2k2i h LYS 167 N -0.18 0.34 0.00 1.72 3.64 -0.31 -2.78 116.57 119.01 2k2i h LYS 167 Ca 0.01 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.34 2k2i h LYS 167 Cb 0.63 -0.06 0.00 0.00 -0.41 0.00 0.00 32.23 32.39 2k2i h LYS 167 CO 0.03 0.36 0.00 1.63 -2.27 0.00 0.00 179.45 179.19 2k2i n LYS 168 N -4.36 0.00 -3.10 1.90 5.02 0.71 -4.95 118.16 113.38 2k2i n LYS 168 Ca 0.00 0.40 -0.07 0.00 -2.02 0.00 0.00 58.31 56.63 2k2i n LYS 168 Cb 0.19 -1.37 0.00 0.00 -0.02 0.00 0.00 35.03 33.83 2k2i n LYS 168 CO 0.00 0.00 0.00 2.41 -0.52 0.00 0.00 177.40 179.29 2k2i n THR 169 N -1.66 -0.68 -0.60 -0.18 -1.04 -0.60 -4.85 114.28 104.68 2k2i n THR 169 Ca 0.00 -0.04 0.07 0.00 -2.04 0.00 0.00 64.05 62.04 2k2i n THR 169 Cb 0.00 -0.59 0.35 0.00 -1.82 0.00 0.00 70.33 68.27 2k2i n THR 169 CO 0.00 0.00 0.00 -1.54 -0.64 0.00 0.00 175.07 172.89 2k2i n SER 170 N -0.07 4.98 -1.99 8.00 3.41 -1.26 -4.61 113.62 122.08 2k2i n SER 170 Ca -0.06 -2.71 -0.00 0.00 -0.26 0.00 0.00 58.87 55.84 2k2i n SER 170 Cb 0.15 -0.64 0.00 0.00 -0.26 0.00 0.00 64.21 63.46 2k2i n SER 170 CO 0.00 0.00 0.00 -0.11 -0.16 0.00 0.00 175.04 174.77 2k2i n LEU 171 N 0.67 -3.53 0.00 1.04 7.94 -1.26 -5.31 117.00 116.55 2k2i n LEU 171 Ca 0.24 -0.01 0.00 0.00 -1.11 0.00 0.00 56.01 55.13 2k2i n LEU 171 Cb 1.02 -1.73 0.00 0.00 0.53 0.00 0.00 43.42 43.24 2k2i n LEU 171 CO 0.27 -0.37 0.00 -1.22 -1.11 0.00 0.00 177.39 174.96