#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kkx h GLN 91 N 0.00 0.73 0.00 1.43 5.75 -1.98 -2.80 115.11 118.23 2kkx h GLN 91 Ca 0.00 -0.27 -0.01 0.00 -0.15 0.00 0.00 58.65 58.22 2kkx h GLN 91 Cb 0.00 -0.05 -0.00 0.00 1.07 0.00 0.00 27.48 28.50 2kkx h GLN 91 CO 0.00 0.86 -0.06 1.05 -2.65 0.00 0.00 178.83 178.02 2kkx h GLU 92 N 0.64 0.00 -0.46 1.69 4.11 -1.99 -2.56 114.58 116.01 2kkx h GLU 92 Ca 0.10 0.00 -0.13 0.00 0.07 0.00 0.00 59.36 59.40 2kkx h GLU 92 Cb 0.66 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.90 2kkx h GLU 92 CO 0.05 0.06 -0.21 1.03 0.07 0.00 0.00 179.01 180.01 2kkx h SER 93 N 0.00 0.99 -0.15 3.06 0.87 -1.93 -0.76 113.55 115.63 2kkx h SER 93 Ca -0.00 -0.40 -0.01 0.00 -1.23 0.00 0.00 61.79 60.15 2kkx h SER 93 Cb 0.50 -0.27 -0.01 0.00 -0.44 0.00 0.00 62.40 62.18 2kkx h SER 93 CO 0.01 1.17 0.06 0.40 -0.53 0.00 0.00 176.83 177.94 2kkx h ILE 94 N 0.81 1.16 -0.67 2.23 2.04 -1.50 -1.38 117.51 120.20 2kkx h ILE 94 Ca 0.10 -0.47 0.10 0.00 1.00 0.00 0.00 64.86 65.59 2kkx h ILE 94 Cb 0.79 1.18 -0.07 0.00 -0.74 0.00 0.00 36.82 37.98 2kkx h ILE 94 CO 0.07 0.15 0.28 1.56 0.00 0.00 0.00 178.15 180.21 2kkx h GLN 95 N 0.09 0.47 -0.51 2.37 1.08 -1.38 0.61 115.11 117.85 2kkx h GLN 95 Ca 0.05 -0.03 0.00 0.00 -1.45 0.00 0.00 58.65 57.22 2kkx h GLN 95 Cb 0.17 -0.11 -0.02 0.00 -0.05 0.00 0.00 27.48 27.47 2kkx h GLN 95 CO -0.00 0.31 0.32 -0.91 -0.95 0.00 0.00 178.83 177.60 2kkx h ASN 96 N 0.48 0.59 0.11 1.46 -0.26 -0.94 -2.12 115.58 114.91 2kkx h ASN 96 Ca 0.34 -0.03 -0.09 0.00 -0.56 0.00 0.00 56.30 55.95 2kkx h ASN 96 Cb 0.41 -0.15 -0.01 0.00 -1.06 0.00 0.00 38.32 37.51 2kkx h ASN 96 CO -0.31 0.45 -0.30 0.11 -1.06 0.00 0.00 177.43 176.32 2kkx h LYS 97 N 0.68 0.30 -0.45 0.81 6.56 -0.31 -1.07 116.57 123.10 2kkx h LYS 97 Ca 0.18 -0.12 -0.11 0.00 -1.06 0.00 0.00 60.65 59.55 2kkx h LYS 97 Cb -0.05 -0.02 -0.01 0.00 -0.57 0.00 0.00 32.23 31.58 2kkx h LYS 97 CO -0.04 0.58 -0.14 0.82 -2.06 0.00 0.00 179.45 178.61 2kkx h ILE 98 N 0.27 1.27 -0.58 1.86 2.04 -0.66 0.18 117.51 121.89 2kkx h ILE 98 Ca 0.04 -1.27 -0.10 0.00 1.00 0.00 0.00 64.86 64.52 2kkx h ILE 98 Cb 0.67 1.15 -0.02 0.00 -0.74 0.00 0.00 36.82 37.88 2kkx h ILE 98 CO 0.05 0.44 -0.03 0.28 0.00 0.00 0.00 178.15 178.89 2kkx h SER 99 N 0.73 1.02 0.86 1.72 0.02 -1.13 -2.42 113.55 114.35 2kkx h SER 99 Ca 0.11 -0.30 -0.23 0.00 -0.84 0.00 0.00 61.79 60.53 2kkx h SER 99 Cb 0.70 -0.27 -0.03 0.00 0.14 0.00 0.00 62.40 62.93 2kkx h SER 99 CO 0.05 1.08 -1.18 1.56 -1.14 0.00 0.00 176.83 177.21 2kkx h GLN 100 N 0.94 0.02 0.00 3.45 1.08 -1.09 -3.35 115.11 116.17 2kkx h GLN 100 Ca 0.16 -0.04 0.00 0.00 -1.45 0.00 0.00 58.65 57.32 2kkx h GLN 100 Cb 0.58 0.02 0.00 0.00 -0.05 0.00 0.00 27.48 28.03 2kkx h GLN 100 CO 0.03 0.92 -0.77 0.00 -0.95 0.00 0.00 178.83 178.06 2kkx s LYS 102 N -3.20 0.89 0.06 0.00 -2.85 -0.91 -4.30 119.74 109.42 2kkx s LYS 102 Ca 0.05 0.51 -0.22 0.00 -1.00 0.00 0.00 55.97 55.30 2kkx s LYS 102 Cb 0.13 -1.79 0.05 0.00 -2.06 0.00 0.00 37.83 34.16 2kkx s LYS 102 CO 0.75 -2.42 0.53 -0.59 0.10 0.00 0.00 175.35 173.72 2kkx s PHE 103 N -3.06 -0.43 -0.39 1.78 -0.71 -0.52 -4.97 117.98 109.69 2kkx s PHE 103 Ca 0.64 0.43 -0.29 0.00 -1.04 0.00 0.00 56.93 56.68 2kkx s PHE 103 Cb -0.17 0.36 0.00 0.00 -1.21 0.00 0.00 43.02 42.00 2kkx s PHE 103 CO 0.56 -0.67 1.52 -1.54 -1.34 0.00 0.00 175.22 173.75 2kkx s SER 104 N -2.10 6.22 -0.45 1.98 1.04 -1.26 -1.17 113.70 117.95 2kkx s SER 104 Ca -0.04 0.97 -0.28 0.00 0.48 0.00 0.00 55.95 57.08 2kkx s SER 104 Cb -0.00 -2.54 0.00 0.00 0.10 0.00 0.00 66.02 63.58 2kkx s SER 104 CO -0.03 -1.50 1.56 -0.69 0.98 0.00 0.00 173.24 173.55 2kkx s VAL 105 N 5.81 3.71 -0.51 5.02 1.01 -0.09 -4.92 120.40 130.42 2kkx s VAL 105 Ca 0.66 0.67 -0.03 0.00 0.00 0.00 0.00 61.98 63.28 2kkx s VAL 105 Cb -0.16 -4.10 0.13 0.00 0.00 0.00 0.00 36.38 32.25 2kkx s VAL 105 CO 0.33 -0.80 0.32 0.00 0.00 0.00 0.00 175.10 174.94 2kkx h PRO 107 N 7.65 0.72 0.00 0.00 0.11 -1.93 -0.06 132.00 138.49 2kkx h PRO 107 Ca -0.09 -0.04 -0.17 0.00 0.11 0.00 0.00 66.00 65.81 2kkx h PRO 107 Cb 1.01 -0.16 -0.03 0.00 0.11 0.00 0.00 31.00 31.93 2kkx h PRO 107 CO 0.72 0.47 -0.86 1.05 -0.21 0.00 0.00 178.00 179.17 2kkx h GLU 108 N 0.74 0.00 0.16 1.05 -0.00 -1.95 -0.01 114.58 114.56 2kkx h GLU 108 Ca 0.40 0.00 -0.31 0.00 -0.00 0.00 0.00 59.36 59.45 2kkx h GLU 108 Cb 0.53 0.00 0.03 0.00 -0.00 0.00 0.00 28.75 29.31 2kkx h GLU 108 CO -0.16 0.78 -1.30 0.00 -0.00 0.00 0.00 179.01 178.32 2kkx h ARG 109 N 0.00 0.57 0.00 1.06 2.47 -1.82 -3.26 114.38 113.40 2kkx h ARG 109 Ca -0.02 -0.82 -0.03 0.00 -1.26 0.00 0.00 59.98 57.85 2kkx h ARG 109 Cb 1.64 0.28 -0.00 0.00 -1.65 0.00 0.00 29.97 30.23 2kkx h ARG 109 CO 0.10 1.38 -0.14 -0.07 0.56 0.00 0.00 179.97 181.80 2kkx h LEU 110 N 0.22 0.00 0.16 3.04 3.38 -1.04 -3.47 115.31 117.60 2kkx h LEU 110 Ca -0.20 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.71 2kkx h LEU 110 Cb 1.98 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 42.71 2kkx h LEU 110 CO 0.24 0.14 -0.05 0.00 0.09 0.00 0.00 178.44 178.86 2kkx n GLN 111 N -3.24 -1.90 -2.99 1.13 1.13 -0.03 -4.96 117.38 106.52 2kkx n GLN 111 Ca 0.01 0.51 -0.40 0.00 -1.94 0.00 0.00 57.00 55.18 2kkx n GLN 111 Cb 0.42 -4.67 -0.06 0.00 0.11 0.00 0.00 30.24 26.04 2kkx n GLN 111 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 2kkx n PRO 113 N 1.93 2.17 -0.35 0.00 -0.04 -1.26 -4.85 135.00 132.60 2kkx n PRO 113 Ca -0.05 0.77 0.10 0.00 -0.04 0.00 0.00 63.50 64.28 2kkx n PRO 113 Cb 0.49 -2.58 0.27 0.00 -0.04 0.00 0.00 33.50 31.64 2kkx n PRO 113 CO 0.00 0.00 0.00 -0.07 -0.04 0.00 0.00 175.50 175.39 2kkx h LEU 114 N 2.21 0.79 -0.70 1.53 3.38 -1.95 -0.81 115.31 119.77 2kkx h LEU 114 Ca -0.50 0.08 0.08 0.00 0.09 0.00 0.00 57.88 57.63 2kkx h LEU 114 Cb 1.28 -0.07 -0.07 0.00 0.09 0.00 0.00 40.66 41.89 2kkx h LEU 114 CO 0.61 0.34 0.36 1.05 0.09 0.00 0.00 178.44 180.89 2kkx h GLU 115 N 0.82 0.60 -0.02 1.13 4.11 -1.96 0.58 114.58 119.85 2kkx h GLU 115 Ca 0.53 -0.04 -0.08 0.00 0.07 0.00 0.00 59.36 59.84 2kkx h GLU 115 Cb 0.70 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.81 2kkx h GLU 115 CO -0.34 0.40 -0.38 0.00 0.07 0.00 0.00 179.01 178.76 2kkx h ALA 116 N 1.40 1.34 -0.28 1.06 0.00 -1.51 -2.68 119.26 118.60 2kkx h ALA 116 Ca 0.33 -0.35 -0.07 0.00 0.00 0.00 0.00 54.91 54.82 2kkx h ALA 116 Cb 0.31 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 18.00 2kkx h ALA 116 CO -0.24 0.49 -0.02 0.44 0.00 0.00 0.00 179.25 179.92 2kkx n ILE 117 N -4.08 2.36 -2.93 0.00 -5.35 -0.97 -4.55 119.36 103.83 2kkx n ILE 117 Ca -0.02 -2.21 -0.41 0.00 -0.27 0.00 0.00 62.75 59.85 2kkx n ILE 117 Cb 0.42 -0.28 -0.04 0.00 -1.74 0.00 0.00 39.64 38.00 2kkx n ILE 117 CO 0.00 0.00 0.00 -1.58 -1.76 0.00 0.00 176.55 173.21 2kkx s GLN 118 N -2.98 4.47 -0.30 6.28 0.74 0.16 -4.08 119.66 123.95 2kkx s GLN 118 Ca 0.42 1.06 -0.29 0.00 0.05 0.00 0.00 55.36 56.61 2kkx s GLN 118 Cb 0.36 -3.46 -0.02 0.00 1.10 0.00 0.00 33.01 30.99 2kkx s GLN 118 CO 0.05 0.01 1.71 0.00 -0.55 0.00 0.00 175.29 176.51 2kkx n PRO 120 N 8.15 0.08 -0.01 0.00 -0.04 -1.26 -1.12 135.00 140.80 2kkx n PRO 120 Ca 0.21 0.19 -0.05 0.00 -0.04 0.00 0.00 63.50 63.81 2kkx n PRO 120 Cb 0.46 -1.50 -0.04 0.00 -0.04 0.00 0.00 33.50 32.38 2kkx n PRO 120 CO 0.00 0.00 0.00 0.82 -0.04 0.00 0.00 175.50 176.28 2kkx h ILE 121 N 0.00 0.44 -0.01 0.52 2.04 -1.93 -3.39 117.51 115.19 2kkx h ILE 121 Ca 0.00 -1.22 0.00 0.00 1.00 0.00 0.00 64.86 64.64 2kkx h ILE 121 Cb 0.24 0.81 0.00 0.00 -0.74 0.00 0.00 36.82 37.14 2kkx h ILE 121 CO 0.00 0.14 -0.34 0.35 0.00 0.00 0.00 178.15 178.30 2kkx n THR 122 N -4.81 0.00 -2.53 -0.27 -2.24 -1.14 -4.95 114.28 98.33 2kkx n THR 122 Ca -0.04 -0.11 -0.20 0.00 -2.27 0.00 0.00 64.05 61.43 2kkx n THR 122 Cb 0.15 0.46 0.00 0.00 -2.10 0.00 0.00 70.33 68.84 2kkx n THR 122 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 2kkx n LEU 123 N -0.77 -2.09 -3.87 3.22 7.99 -0.28 -4.98 117.00 116.22 2kkx n LEU 123 Ca 0.10 -0.08 -0.10 0.00 -0.01 0.00 0.00 56.01 55.92 2kkx n LEU 123 Cb 0.36 -2.81 -0.09 0.00 -0.11 0.00 0.00 43.42 40.77 2kkx n LEU 123 CO 0.28 -0.09 -0.14 -1.83 -1.51 0.00 0.00 177.39 174.10 2kkx s GLU 124 N -5.15 0.64 -0.21 3.23 -1.05 -1.20 -4.99 118.70 109.97 2kkx s GLU 124 Ca 0.07 -0.64 -0.29 0.00 -0.15 0.00 0.00 54.97 53.97 2kkx s GLU 124 Cb -0.03 0.26 -0.03 0.00 -0.44 0.00 0.00 34.13 33.88 2kkx s GLU 124 CO 0.09 -0.17 1.76 -1.14 0.95 0.00 0.00 175.26 176.74 2kkx s GLN 125 N -2.44 3.67 0.79 -4.83 -0.44 -1.26 -0.75 119.66 114.39 2kkx s GLN 125 Ca -0.06 1.77 -0.12 0.00 -2.50 0.00 0.00 55.36 54.45 2kkx s GLN 125 Cb -0.02 -4.12 0.06 0.00 -1.64 0.00 0.00 33.01 27.30 2kkx s GLN 125 CO -0.03 -1.45 1.11 -1.25 0.50 0.00 0.00 175.29 174.16 2kkx s PRO 126 N 5.03 2.15 0.07 1.67 0.04 -1.26 -4.92 135.00 137.78 2kkx s PRO 126 Ca 0.78 0.52 -0.07 0.00 0.04 0.00 0.00 61.00 62.27 2kkx s PRO 126 Cb -0.27 -1.94 -0.30 0.00 0.04 0.00 0.00 34.50 32.03 2kkx s PRO 126 CO 0.32 -1.55 1.11 1.05 0.04 0.00 0.00 177.00 177.98 2kkx h GLU 127 N -1.03 0.34 -2.82 4.56 4.11 -1.95 -3.42 114.58 114.37 2kkx h GLU 127 Ca -0.47 -0.58 -0.11 0.00 0.07 0.00 0.00 59.36 58.27 2kkx h GLU 127 Cb 1.28 0.21 -0.21 0.00 0.50 0.00 0.00 28.75 30.53 2kkx h GLU 127 CO 0.61 1.27 -0.21 -1.59 0.07 0.00 0.00 179.01 179.16 2kkx s LYS 128 N -2.65 0.64 0.13 1.06 0.00 -1.26 -0.92 119.74 116.74 2kkx s LYS 128 Ca -0.05 0.12 -0.26 0.00 0.00 0.00 0.00 55.97 55.79 2kkx s LYS 128 Cb 0.06 0.29 0.07 0.00 0.00 0.00 0.00 37.83 38.26 2kkx s LYS 128 CO 0.90 -0.15 0.99 0.20 0.00 0.00 0.00 175.35 177.28 2kkx s GLY 129 N -0.76 -0.26 0.19 0.59 0.00 -0.32 -2.09 107.32 104.67 2kkx s GLY 129 Ca -0.08 0.22 0.10 0.00 0.00 0.00 0.00 44.72 44.96 2kkx s GLY 129 CO 0.04 0.03 -0.21 -0.26 0.00 0.00 0.00 173.10 172.70 2kkx s ILE 130 N -3.20 2.11 -0.24 0.90 -4.36 0.07 -1.43 121.20 115.05 2kkx s ILE 130 Ca 0.12 -2.03 -0.16 0.00 -0.26 0.00 0.00 60.65 58.33 2kkx s ILE 130 Cb -0.01 -2.02 -0.04 0.00 1.25 0.00 0.00 42.46 41.65 2kkx s ILE 130 CO 0.01 -0.25 0.40 -0.36 0.24 0.00 0.00 174.94 174.98 2kkx s PHE 131 N -1.97 3.29 -0.12 1.37 0.08 -1.24 -1.45 117.98 117.95 2kkx s PHE 131 Ca 0.20 0.51 0.00 0.00 0.12 0.00 0.00 56.93 57.76 2kkx s PHE 131 Cb -0.06 -2.57 0.02 0.00 -0.57 0.00 0.00 43.02 39.83 2kkx s PHE 131 CO 0.09 -0.16 -0.11 0.08 -0.10 0.00 0.00 175.22 175.02 2kkx s VAL 132 N 1.83 1.30 -0.22 -0.44 1.01 -0.75 -1.04 120.40 122.09 2kkx s VAL 132 Ca 0.17 -0.48 -0.29 0.00 0.00 0.00 0.00 61.98 61.38 2kkx s VAL 132 Cb -0.15 -1.25 -0.03 0.00 0.00 0.00 0.00 36.38 34.95 2kkx s VAL 132 CO 0.09 0.41 1.76 -1.59 0.00 0.00 0.00 175.10 175.77 2kkx s LYS 133 N 1.44 3.65 -1.05 2.72 -2.85 0.21 -1.93 119.74 121.94 2kkx s LYS 133 Ca 0.02 1.74 -0.23 0.00 -1.00 0.00 0.00 55.97 56.50 2kkx s LYS 133 Cb -0.13 -4.12 -0.05 0.00 -2.06 0.00 0.00 37.83 31.47 2kkx s LYS 133 CO -0.07 -1.47 1.89 1.21 0.10 0.00 0.00 175.35 177.00 2kkx s ASN 134 N 5.11 5.32 0.10 0.03 2.47 0.10 -4.82 114.94 123.26 2kkx s ASN 134 Ca 0.78 -1.26 -0.18 0.00 0.42 0.00 0.00 52.86 52.62 2kkx s ASN 134 Cb -0.27 -2.57 -0.06 0.00 -1.45 0.00 0.00 41.25 36.89 2kkx s ASN 134 CO 0.32 -2.67 1.58 -1.28 -3.72 0.00 0.00 177.10 171.33 2kkx h SER 135 N 10.28 0.44 -0.52 -4.21 0.87 -1.88 0.13 113.55 118.66 2kkx h SER 135 Ca 0.18 -0.25 -0.07 0.00 -1.23 0.00 0.00 61.79 60.42 2kkx h SER 135 Cb 0.97 -0.12 -0.02 0.00 -0.44 0.00 0.00 62.40 62.79 2kkx h SER 135 CO 1.25 0.57 0.07 -0.78 -0.53 0.00 0.00 176.83 177.42 2kkx h ASP 136 N 0.28 0.88 0.45 6.23 3.58 -1.99 -2.66 116.42 123.19 2kkx h ASP 136 Ca 0.09 -0.20 -0.02 0.00 0.42 0.00 0.00 57.03 57.32 2kkx h ASP 136 Cb 0.32 -0.23 0.00 0.00 1.72 0.00 0.00 39.33 41.14 2kkx h ASP 136 CO 0.00 0.90 -0.22 1.23 -2.88 0.00 0.00 179.24 178.27 2kkx h GLY 137 N 1.01 -0.63 -0.41 -0.78 0.00 -1.95 -3.45 103.07 96.86 2kkx h GLY 137 Ca 0.18 0.23 0.00 0.00 0.00 0.00 0.00 47.33 47.74 2kkx h GLY 137 CO 0.01 -0.23 0.00 1.44 0.00 0.00 0.00 176.54 177.76 2kkx n SER 138 N -4.05 0.00 -2.14 0.19 7.64 -0.98 -4.99 113.62 109.29 2kkx n SER 138 Ca -0.08 -0.97 -0.21 0.00 1.01 0.00 0.00 58.87 58.63 2kkx n SER 138 Cb 0.24 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 63.41 2kkx n SER 138 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 2kkx n ASP 139 N 0.00 -5.75 -4.82 6.43 8.00 0.43 -4.97 116.55 115.86 2kkx n ASP 139 Ca 0.00 0.13 -0.38 0.00 0.71 0.00 0.00 54.79 55.25 2kkx n ASP 139 Cb 0.49 -4.85 -0.06 0.00 -0.02 0.00 0.00 41.12 36.68 2kkx n ASP 139 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 2kkx s VAL 140 N -2.95 5.11 -0.21 2.53 1.01 -1.09 -4.32 120.40 120.48 2kkx s VAL 140 Ca 0.00 0.77 -0.25 0.00 0.00 0.00 0.00 61.98 62.49 2kkx s VAL 140 Cb 0.00 -3.68 -0.01 0.00 0.00 0.00 0.00 36.38 32.69 2kkx s VAL 140 CO 0.00 0.55 0.86 0.00 0.00 0.00 0.00 175.10 176.51 2kkx s THR 142 N 2.57 2.27 -0.52 0.00 2.01 -0.81 -4.68 115.64 116.48 2kkx s THR 142 Ca 0.38 -1.15 -0.21 0.00 0.31 0.00 0.00 61.69 61.02 2kkx s THR 142 Cb -0.16 -1.84 0.05 0.00 0.01 0.00 0.00 72.50 70.56 2kkx s THR 142 CO 0.09 0.50 0.72 -0.22 -0.69 0.00 0.00 174.62 175.02 2kkx s LEU 143 N -0.88 4.72 -0.04 4.42 2.96 -1.26 -1.81 118.68 126.79 2kkx s LEU 143 Ca 0.11 -0.76 -0.06 0.00 -0.22 0.00 0.00 54.13 53.20 2kkx s LEU 143 Cb -0.10 -2.55 -0.04 0.00 0.50 0.00 0.00 46.19 43.99 2kkx s LEU 143 CO 0.01 -0.99 0.20 -0.36 -1.32 0.00 0.00 176.35 173.89 2kkx s PHE 144 N 3.01 3.58 0.19 5.38 0.08 -0.53 -3.38 117.98 126.32 2kkx s PHE 144 Ca 0.19 0.51 -0.32 0.00 0.12 0.00 0.00 56.93 57.43 2kkx s PHE 144 Cb -0.17 -1.94 -0.11 0.00 -0.57 0.00 0.00 43.02 40.23 2kkx s PHE 144 CO 0.14 0.67 1.70 0.34 -0.10 0.00 0.00 175.22 177.97 2kkx s ASP 145 N -1.53 6.42 0.24 1.36 -1.08 -1.26 -0.75 116.67 120.07 2kkx s ASP 145 Ca 0.23 2.81 -0.06 0.00 -0.52 0.00 0.00 52.55 55.02 2kkx s ASP 145 Cb -0.13 -2.60 0.32 0.00 -1.46 0.00 0.00 42.92 39.05 2kkx s ASP 145 CO 0.13 -0.95 1.86 0.00 0.52 0.00 0.00 175.17 176.72 2kkx h ALA 146 N 6.94 1.17 0.00 3.66 0.00 -1.71 -0.43 119.26 128.89 2kkx h ALA 146 Ca -0.43 -0.01 -0.13 0.00 0.00 0.00 0.00 54.91 54.34 2kkx h ALA 146 Cb 1.20 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.73 2kkx h ALA 146 CO 0.95 0.30 -0.62 0.00 0.00 0.00 0.00 179.25 179.88 2kkx h ALA 147 N 1.40 0.80 -0.13 0.00 0.00 -1.91 -1.43 119.26 117.99 2kkx h ALA 147 Ca 0.37 -0.56 -0.15 0.00 0.00 0.00 0.00 54.91 54.57 2kkx h ALA 147 Cb 0.14 -0.10 0.01 0.00 0.00 0.00 0.00 17.79 17.84 2kkx h ALA 147 CO -0.16 0.78 -0.49 0.00 0.00 0.00 0.00 179.25 179.38 2kkx h ALA 148 N 1.38 0.24 0.01 0.00 0.00 -1.68 -0.92 119.26 118.29 2kkx h ALA 148 Ca -0.01 -0.50 -0.25 0.00 0.00 0.00 0.00 54.91 54.16 2kkx h ALA 148 Cb 1.23 -0.02 0.01 0.00 0.00 0.00 0.00 17.79 19.01 2kkx h ALA 148 CO 0.08 0.40 -1.01 0.35 0.00 0.00 0.00 179.25 179.07 2kkx h PHE 149 N 0.19 0.83 -0.20 0.00 3.57 -1.15 -2.65 116.94 117.52 2kkx h PHE 149 Ca -0.02 -0.46 -0.05 0.00 3.53 0.00 0.00 57.97 60.97 2kkx h PHE 149 Cb 1.12 -0.09 -0.01 0.00 2.79 0.00 0.00 35.95 39.75 2kkx h PHE 149 CO 0.11 1.29 -0.09 1.03 -2.23 0.00 0.00 178.31 178.41 2kkx h SER 150 N 0.31 0.30 0.29 0.41 0.87 -1.33 -1.96 113.55 112.45 2kkx h SER 150 Ca -0.11 -0.06 -0.01 0.00 -1.23 0.00 0.00 61.79 60.38 2kkx h SER 150 Cb 1.66 -0.08 -0.00 0.00 -0.44 0.00 0.00 62.40 63.54 2kkx h SER 150 CO 0.19 0.44 -0.17 -0.09 -0.53 0.00 0.00 176.83 176.66 2kkx h ARG 151 N 0.31 -0.43 -0.45 2.24 9.65 -1.06 -0.67 114.38 123.97 2kkx h ARG 151 Ca 0.06 0.03 0.08 0.00 -1.10 0.00 0.00 59.98 59.05 2kkx h ARG 151 Cb 0.36 0.10 -0.07 0.00 -1.39 0.00 0.00 29.97 28.97 2kkx h ARG 151 CO 0.02 -0.28 0.06 -0.07 2.80 0.00 0.00 179.97 182.49 2kkx h LEU 152 N -0.44 -0.07 -0.56 3.80 3.38 -1.10 0.68 115.31 121.00 2kkx h LEU 152 Ca -0.03 0.09 -0.09 0.00 0.09 0.00 0.00 57.88 57.93 2kkx h LEU 152 Cb 0.36 0.14 -0.02 0.00 0.09 0.00 0.00 40.66 41.23 2kkx h LEU 152 CO 0.04 -0.00 -0.02 0.58 0.09 0.00 0.00 178.44 179.13 2kkx h VAL 153 N 0.18 1.27 0.00 1.22 2.07 -1.34 0.15 116.25 119.79 2kkx h VAL 153 Ca 0.22 -1.15 -0.02 0.00 0.82 0.00 0.00 66.70 66.57 2kkx h VAL 153 Cb 0.30 0.88 -0.00 0.00 -1.52 0.00 0.00 31.29 30.95 2kkx h VAL 153 CO -0.32 0.41 -0.09 1.23 0.02 0.00 0.00 177.57 178.82 2kkx h GLY 154 N 0.89 0.00 0.93 2.17 0.00 -0.40 -1.94 103.07 104.73 2kkx h GLY 154 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.49 2kkx h GLY 154 CO 0.03 0.00 -0.61 1.18 0.00 0.00 0.00 176.54 177.14 2kkx n GLU 155 N -3.26 0.09 -0.91 4.80 -0.58 0.17 -4.97 120.64 115.97 2kkx n GLU 155 Ca -0.00 0.02 0.00 0.00 -0.42 0.00 0.00 57.16 56.75 2kkx n GLU 155 Cb 0.33 -1.55 0.00 0.00 -0.57 0.00 0.00 31.44 29.66 2kkx n GLU 155 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2kkx n GLY 156 N 1.45 0.48 3.75 0.62 0.00 -0.41 -5.05 105.19 106.04 2kkx n GLY 156 Ca 0.05 -0.53 -0.40 0.00 0.00 0.00 0.00 46.02 45.13 2kkx n GLY 156 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2kkx s LEU 157 N 0.00 4.58 1.06 0.99 1.43 0.38 -4.99 118.68 122.14 2kkx s LEU 157 Ca 0.00 1.77 -0.17 0.00 -1.03 0.00 0.00 54.13 54.69 2kkx s LEU 157 Cb 0.00 -3.46 0.24 0.00 0.03 0.00 0.00 46.19 43.00 2kkx s LEU 157 CO 0.00 0.12 1.24 -2.16 0.23 0.00 0.00 176.35 175.79 2kkx s PRO 158 N -0.84 -0.15 0.17 1.29 0.04 -1.26 -4.21 135.00 130.04 2kkx s PRO 158 Ca 0.40 -0.30 -0.33 0.00 0.04 0.00 0.00 61.00 60.81 2kkx s PRO 158 Cb -0.24 -1.74 -0.15 0.00 0.04 0.00 0.00 34.50 32.41 2kkx s PRO 158 CO 0.29 -2.96 1.37 1.58 0.04 0.00 0.00 177.00 177.32 2kkx n HIS 159 N -4.18 1.84 0.23 0.56 -0.00 -0.60 -4.78 115.22 108.29 2kkx n HIS 159 Ca 0.15 0.50 0.11 0.00 -0.00 0.00 0.00 57.72 58.47 2kkx n HIS 159 Cb 0.59 -2.41 0.52 0.00 -0.00 0.00 0.00 29.99 28.70 2kkx n HIS 159 CO 0.00 0.00 0.00 -1.00 -0.00 0.00 0.00 176.34 175.34 2kkx h PRO 160 N 4.50 0.00 0.11 1.57 0.13 -1.93 0.22 132.00 136.60 2kkx h PRO 160 Ca -0.45 0.00 -0.30 0.00 -0.87 0.00 0.00 66.00 64.38 2kkx h PRO 160 Cb 1.30 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.42 2kkx h PRO 160 CO 0.78 0.19 -1.54 -0.07 -0.23 0.00 0.00 178.00 177.13 2kkx h LEU 161 N 0.00 0.36 0.00 1.56 3.38 -1.96 -3.42 115.31 115.23 2kkx h LEU 161 Ca -0.00 -0.84 0.00 0.00 0.09 0.00 0.00 57.88 57.13 2kkx h LEU 161 Cb 0.66 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.29 2kkx h LEU 161 CO 0.03 1.67 -0.38 1.07 0.09 0.00 0.00 178.44 180.92 2kkx n THR 162 N -3.86 0.00 -2.18 0.22 5.66 -1.23 -5.03 114.28 107.86 2kkx n THR 162 Ca -0.27 -0.27 -0.17 0.00 -3.05 0.00 0.00 64.05 60.28 2kkx n THR 162 Cb 0.92 0.78 -0.02 0.00 -1.55 0.00 0.00 70.33 70.46 2kkx n THR 162 CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 175.07 172.56 2kkx n ARG 163 N -1.11 -1.36 -2.44 1.09 5.12 0.79 -4.97 116.66 113.77 2kkx n ARG 163 Ca 0.00 0.89 -0.33 0.00 -1.93 0.00 0.00 57.85 56.49 2kkx n ARG 163 Cb 0.00 -5.32 -0.03 0.00 -1.16 0.00 0.00 32.46 25.94 2kkx n ARG 163 CO 0.00 0.00 0.00 -1.21 -1.93 0.00 0.00 177.63 174.49 2kkx s GLU 164 N -4.62 3.88 -0.13 5.56 0.41 -1.26 -4.55 118.70 117.99 2kkx s GLU 164 Ca 0.00 1.08 -0.29 0.00 -0.41 0.00 0.00 54.97 55.36 2kkx s GLU 164 Cb 0.00 -2.12 -0.06 0.00 -1.78 0.00 0.00 34.13 30.17 2kkx s GLU 164 CO 0.00 -0.33 1.97 -1.25 -0.49 0.00 0.00 175.26 175.16 2kkx s PRO 165 N -3.77 3.65 0.31 0.39 0.04 -1.26 -1.56 135.00 132.80 2kkx s PRO 165 Ca 0.61 2.12 -0.29 0.00 0.04 0.00 0.00 61.00 63.49 2kkx s PRO 165 Cb -0.12 -4.21 -0.10 0.00 0.04 0.00 0.00 34.50 30.11 2kkx s PRO 165 CO 0.27 -1.50 1.34 0.42 0.04 0.00 0.00 177.00 177.57 2kkx s ILE 166 N 6.18 2.68 0.17 0.56 1.01 -1.26 -4.94 121.20 125.59 2kkx s ILE 166 Ca 0.89 0.66 -0.12 0.00 0.00 0.00 0.00 60.65 62.07 2kkx s ILE 166 Cb -0.34 -3.42 0.01 0.00 0.01 0.00 0.00 42.46 38.72 2kkx s ILE 166 CO 0.36 0.15 0.37 0.28 0.00 0.00 0.00 174.94 176.09 2kkx s THR 167 N -0.88 0.06 0.33 2.92 -1.32 -1.26 -5.04 115.64 110.45 2kkx s THR 167 Ca 0.51 -1.10 0.30 0.00 -1.21 0.00 0.00 61.69 60.19 2kkx s THR 167 Cb -0.40 -1.66 0.32 0.00 -1.51 0.00 0.00 72.50 69.24 2kkx s THR 167 CO 0.51 -0.26 2.04 0.00 -2.21 0.00 0.00 174.62 174.70 2kkx h ALA 168 N 2.43 1.14 -0.42 11.08 0.00 -1.92 -3.06 119.26 128.52 2kkx h ALA 168 Ca -0.31 -0.10 -0.07 0.00 0.00 0.00 0.00 54.91 54.43 2kkx h ALA 168 Cb 1.24 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 19.00 2kkx h ALA 168 CO 0.45 0.13 -0.01 0.77 0.00 0.00 0.00 179.25 180.59 2kkx h SER 169 N 0.00 0.73 0.74 0.00 0.02 -1.99 -3.21 113.55 109.85 2kkx h SER 169 Ca -0.00 -0.31 0.00 0.00 -0.84 0.00 0.00 61.79 60.64 2kkx h SER 169 Cb 0.42 -0.20 0.00 0.00 0.14 0.00 0.00 62.40 62.76 2kkx h SER 169 CO 0.01 0.87 -0.28 2.30 -1.14 0.00 0.00 176.83 178.59 2kkx n ILE 170 N -4.41 0.02 -3.61 3.27 -5.35 -1.16 -4.79 119.36 103.33 2kkx n ILE 170 Ca -0.01 -0.02 -0.37 0.00 -0.27 0.00 0.00 62.75 62.09 2kkx n ILE 170 Cb 0.30 -0.10 -0.06 0.00 -1.74 0.00 0.00 39.64 38.04 2kkx n ILE 170 CO 0.00 0.00 0.00 -0.51 -1.76 0.00 0.00 176.55 174.28 2kkx s ILE 171 N -3.01 5.27 0.33 7.28 2.07 -1.21 -0.62 121.20 131.32 2kkx s ILE 171 Ca 0.12 0.55 0.04 0.00 -1.41 0.00 0.00 60.65 59.95 2kkx s ILE 171 Cb 0.18 -3.60 -0.03 0.00 0.13 0.00 0.00 42.46 39.14 2kkx s ILE 171 CO 0.63 0.50 0.17 0.68 -1.91 0.00 0.00 174.94 175.01 2kkx s VAL 172 N -0.36 0.35 0.36 4.00 -7.23 -0.21 -4.94 120.40 112.38 2kkx s VAL 172 Ca 0.18 -2.00 0.07 0.00 -1.81 0.00 0.00 61.98 58.42 2kkx s VAL 172 Cb -0.14 -2.48 -0.00 0.00 0.56 0.00 0.00 36.38 34.32 2kkx s VAL 172 CO 0.07 0.00 0.50 -0.54 -0.31 0.00 0.00 175.10 174.82 2kkx s LYS 173 N -3.74 3.03 0.23 4.82 1.02 -1.26 -3.61 119.74 120.22 2kkx s LYS 173 Ca 0.34 -1.07 -0.06 0.00 0.02 0.00 0.00 55.97 55.19 2kkx s LYS 173 Cb 0.04 -2.80 0.34 0.00 -0.52 0.00 0.00 37.83 34.89 2kkx s LYS 173 CO 0.18 -0.04 1.80 1.25 -0.92 0.00 0.00 175.35 177.61 2kkx h HIS 174 N 0.81 0.72 0.00 3.18 -0.00 -1.88 -2.04 115.15 115.93 2kkx h HIS 174 Ca -0.44 0.03 -0.03 0.00 -0.00 0.00 0.00 60.37 59.93 2kkx h HIS 174 Cb 1.26 -0.21 -0.00 0.00 -0.00 0.00 0.00 27.41 28.46 2kkx h HIS 174 CO 0.42 0.29 -0.15 1.49 -0.00 0.00 0.00 177.93 179.98 2kkx h GLU 175 N 0.69 0.00 0.00 5.26 4.81 -1.96 -3.29 114.58 120.09 2kkx h GLU 175 Ca 0.36 0.00 -0.11 0.00 -0.13 0.00 0.00 59.36 59.48 2kkx h GLU 175 Cb 0.33 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.69 2kkx h GLU 175 CO -0.24 0.15 -0.60 1.49 -0.73 0.00 0.00 179.01 179.07 2kkx h GLU 176 N 0.00 0.00 -6.19 1.92 4.81 -1.78 -3.43 114.58 109.91 2kkx h GLU 176 Ca -0.00 0.00 -0.59 0.00 -0.13 0.00 0.00 59.36 58.64 2kkx h GLU 176 Cb 1.05 0.00 -0.07 0.00 0.63 0.00 0.00 28.75 30.36 2kkx h GLU 176 CO 0.02 0.47 -0.57 0.00 -0.73 0.00 0.00 179.01 178.20 2kkx s ILE 178 N -1.66 0.63 0.17 0.00 -0.00 -0.55 -4.83 121.20 114.96 2kkx s ILE 178 Ca 0.31 -1.95 -0.30 0.00 -0.00 0.00 0.00 60.65 58.70 2kkx s ILE 178 Cb -0.11 -1.90 -0.08 0.00 -0.00 0.00 0.00 42.46 40.38 2kkx s ILE 178 CO 0.23 -0.67 1.21 -0.72 -0.00 0.00 0.00 174.94 174.99 2kkx s TYR 179 N -3.68 3.42 -0.20 1.37 1.13 -1.26 -1.31 117.35 116.82 2kkx s TYR 179 Ca 0.18 1.39 -0.01 0.00 -1.41 0.00 0.00 57.07 57.21 2kkx s TYR 179 Cb 0.06 -3.44 0.01 0.00 -1.10 0.00 0.00 41.96 37.48 2kkx s TYR 179 CO -0.01 -1.27 -0.13 0.34 -2.51 0.00 0.00 175.55 171.97 2kkx s ASP 180 N 0.29 3.64 0.09 -0.18 -1.08 -0.47 -4.90 116.67 114.07 2kkx s ASP 180 Ca 0.54 -0.54 -0.15 0.00 -0.52 0.00 0.00 52.55 51.89 2kkx s ASP 180 Cb -0.32 -1.59 -0.10 0.00 -1.46 0.00 0.00 42.92 39.44 2kkx s ASP 180 CO 0.35 -0.01 1.39 -0.78 0.52 0.00 0.00 175.17 176.65 2kkx h ASP 181 N 8.01 0.76 0.60 -0.34 3.58 -1.92 0.12 116.42 127.23 2kkx h ASP 181 Ca -0.44 -0.51 -0.13 0.00 0.42 0.00 0.00 57.03 56.38 2kkx h ASP 181 Cb 1.15 -0.22 -0.02 0.00 1.72 0.00 0.00 39.33 41.96 2kkx h ASP 181 CO 0.62 1.12 -0.60 0.00 -2.88 0.00 0.00 179.24 177.50 2kkx h THR 182 N 0.43 1.43 0.02 2.25 1.03 -1.96 -1.66 112.91 114.45 2kkx h THR 182 Ca 0.03 -2.07 -0.21 0.00 -0.01 0.00 0.00 66.41 64.15 2kkx h THR 182 Cb 0.94 2.11 -0.01 0.00 -1.07 0.00 0.00 68.15 70.13 2kkx h THR 182 CO 0.08 0.59 -0.94 0.03 -0.01 0.00 0.00 175.52 175.27 2kkx h ARG 183 N 0.01 0.20 0.00 0.00 2.47 -2.00 -3.48 114.38 111.57 2kkx h ARG 183 Ca -0.01 -0.24 0.00 0.00 -1.26 0.00 0.00 59.98 58.47 2kkx h ARG 183 Cb 1.07 0.07 0.00 0.00 -1.65 0.00 0.00 29.97 29.47 2kkx h ARG 183 CO 0.08 1.00 0.00 0.41 0.56 0.00 0.00 179.97 182.02 2kkx n GLY 184 N 1.01 0.75 3.08 0.04 0.00 0.31 -5.03 105.19 105.35 2kkx n GLY 184 Ca -0.04 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.90 2kkx n GLY 184 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2kkx s ASN 185 N -2.49 0.37 0.09 1.61 0.02 -0.59 -4.91 114.94 109.04 2kkx s ASN 185 Ca 0.00 -0.81 -0.31 0.00 -1.02 0.00 0.00 52.86 50.72 2kkx s ASN 185 Cb 0.00 0.19 -0.08 0.00 0.02 0.00 0.00 41.25 41.39 2kkx s ASN 185 CO 0.00 -0.54 1.42 -0.36 0.02 0.00 0.00 177.10 177.65 2kkx s PHE 186 N -3.23 3.10 0.31 2.20 0.40 -1.26 -1.36 117.98 118.13 2kkx s PHE 186 Ca 0.01 0.86 0.04 0.00 -0.60 0.00 0.00 56.93 57.23 2kkx s PHE 186 Cb 0.03 -3.71 -0.04 0.00 0.51 0.00 0.00 43.02 39.81 2kkx s PHE 186 CO -0.07 -2.57 0.17 0.96 0.70 0.00 0.00 175.22 174.41 2kkx s ILE 187 N 1.47 0.28 0.30 0.64 -5.25 -0.43 -1.16 121.20 117.06 2kkx s ILE 187 Ca 0.65 -2.00 -0.27 0.00 -0.99 0.00 0.00 60.65 58.04 2kkx s ILE 187 Cb -0.36 -2.50 -0.10 0.00 2.95 0.00 0.00 42.46 42.45 2kkx s ILE 187 CO 0.30 0.00 0.95 -0.63 -1.79 0.00 0.00 174.94 173.77 2kkx s ILE 188 N -3.58 4.14 0.89 8.37 -1.09 -1.26 -1.48 121.20 127.19 2kkx s ILE 188 Ca 0.36 1.88 -0.10 0.00 -2.23 0.00 0.00 60.65 60.55 2kkx s ILE 188 Cb 0.04 -4.09 0.13 0.00 -1.58 0.00 0.00 42.46 36.96 2kkx s ILE 188 CO 0.19 0.25 1.15 -0.54 -1.23 0.00 0.00 174.94 174.75 2kkx s LYS 189 N -1.80 1.23 0.00 2.79 1.02 -0.95 -4.87 119.74 117.16 2kkx s LYS 189 Ca 0.48 1.53 0.12 0.00 0.02 0.00 0.00 55.97 58.12 2kkx s LYS 189 Cb -0.21 -1.75 -0.10 0.00 -0.52 0.00 0.00 37.83 35.25 2kkx s LYS 189 CO 0.27 -2.48 0.58 0.41 -0.92 0.00 0.00 175.35 173.21 2kkx n GLY 190 N 0.08 -0.13 0.51 -3.33 0.00 -1.26 -5.07 105.19 95.98 2kkx n GLY 190 Ca 0.12 -0.35 0.14 0.00 0.00 0.00 0.00 46.02 45.92 2kkx n GLY 190 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31