#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jxj h PRO 81 N 0.00 0.00 -5.38 1.61 0.13 -2.09 -3.42 132.00 122.85 2jxj h PRO 81 Ca 0.00 0.00 -0.21 0.00 -0.87 0.00 0.00 66.00 64.92 2jxj h PRO 81 Cb 0.00 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.12 2jxj h PRO 81 CO 0.00 0.24 0.84 1.28 -0.23 0.00 0.00 178.00 180.12 2jxj n LEU 82 N -3.36 1.58 0.00 1.56 4.77 -1.26 -4.37 117.00 115.93 2jxj n LEU 82 Ca 0.00 -0.99 0.00 0.00 -0.03 0.00 0.00 56.01 55.00 2jxj n LEU 82 Cb 0.46 -1.49 0.00 0.00 -2.33 0.00 0.00 43.42 40.06 2jxj n LEU 82 CO 0.34 -2.07 0.00 0.61 -1.33 0.00 0.00 177.39 174.94 2jxj n GLY 83 N 6.41 -0.39 2.11 -0.72 0.00 -1.26 -4.98 105.19 106.35 2jxj n GLY 83 Ca 0.47 0.38 -0.27 0.00 0.00 0.00 0.00 46.02 46.60 2jxj n GLY 83 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2jxj n SER 84 N 0.00 5.60 0.06 1.61 3.41 -1.26 -4.66 113.62 118.38 2jxj n SER 84 Ca 0.00 -3.74 -0.13 0.00 -0.26 0.00 0.00 58.87 54.74 2jxj n SER 84 Cb 0.00 -0.82 -0.08 0.00 -0.26 0.00 0.00 64.21 63.05 2jxj n SER 84 CO 0.00 0.00 0.00 0.03 -0.16 0.00 0.00 175.04 174.91 2jxj h ARG 85 N 1.62 -0.11 -0.60 4.33 3.08 -1.94 -2.70 114.38 118.06 2jxj h ARG 85 Ca 0.54 0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.59 2jxj h ARG 85 Cb 1.57 0.03 -0.03 0.00 0.08 0.00 0.00 29.97 31.61 2jxj h ARG 85 CO 1.20 0.13 0.38 -0.39 -1.07 0.00 0.00 179.97 180.22 2jxj h VAL 86 N -0.34 1.16 -0.11 2.04 -1.51 -1.98 -1.25 116.25 114.27 2jxj h VAL 86 Ca -0.01 -0.33 0.01 0.00 -1.23 0.00 0.00 66.70 65.14 2jxj h VAL 86 Cb 0.29 0.30 -0.01 0.00 -2.13 0.00 0.00 31.29 29.73 2jxj h VAL 86 CO 0.02 0.16 0.01 -0.09 -1.23 0.00 0.00 177.57 176.45 2jxj h ARG 87 N 0.82 0.05 -0.23 5.19 1.12 -1.86 0.12 114.38 119.60 2jxj h ARG 87 Ca 0.22 -0.00 -0.04 0.00 -1.11 0.00 0.00 59.98 59.04 2jxj h ARG 87 Cb -0.06 -0.01 -0.01 0.00 -0.01 0.00 0.00 29.97 29.88 2jxj h ARG 87 CO -0.04 0.04 -0.03 -0.07 -3.11 0.00 0.00 179.97 176.75 2jxj h LEU 88 N 0.06 0.42 -0.73 3.80 4.07 -1.15 -1.52 115.31 120.26 2jxj h LEU 88 Ca 0.05 -0.34 0.05 0.00 0.08 0.00 0.00 57.88 57.71 2jxj h LEU 88 Cb 0.05 -0.11 -0.05 0.00 1.08 0.00 0.00 40.66 41.62 2jxj h LEU 88 CO -0.07 0.66 0.44 0.44 -1.08 0.00 0.00 178.44 178.83 2jxj h ASP 89 N 0.16 0.70 -0.33 -0.43 5.19 -1.07 -0.89 116.42 119.75 2jxj h ASP 89 Ca 0.06 0.01 -0.07 0.00 -0.62 0.00 0.00 57.03 56.41 2jxj h ASP 89 Cb 0.47 -0.13 -0.01 0.00 0.18 0.00 0.00 39.33 39.83 2jxj h ASP 89 CO 0.02 0.46 -0.07 0.15 -3.12 0.00 0.00 179.24 176.68 2jxj h PHE 90 N 0.83 0.70 -0.68 4.55 3.57 -0.70 -2.67 116.94 122.55 2jxj h PHE 90 Ca 0.31 -0.15 0.01 0.00 3.53 0.00 0.00 57.97 61.67 2jxj h PHE 90 Cb 0.10 -0.17 -0.03 0.00 2.79 0.00 0.00 35.95 38.64 2jxj h PHE 90 CO -0.05 0.79 0.45 -0.07 -2.23 0.00 0.00 178.31 177.20 2jxj h LEU 91 N 0.41 0.78 -0.79 0.59 3.38 -0.84 -0.69 115.31 118.14 2jxj h LEU 91 Ca 0.08 -0.02 -0.10 0.00 0.09 0.00 0.00 57.88 57.93 2jxj h LEU 91 Cb 0.56 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 41.10 2jxj h LEU 91 CO 0.03 0.56 -0.17 0.44 0.09 0.00 0.00 178.44 179.39 2jxj h ASP 92 N 0.92 0.72 -0.24 -0.43 3.32 -1.03 -2.52 116.42 117.16 2jxj h ASP 92 Ca 0.25 -0.24 -0.20 0.00 0.02 0.00 0.00 57.03 56.86 2jxj h ASP 92 Cb -0.10 -0.20 0.00 0.00 0.22 0.00 0.00 39.33 39.25 2jxj h ASP 92 CO -0.05 0.90 -0.63 1.56 -1.72 0.00 0.00 179.24 179.30 2jxj h GLN 93 N 0.64 0.85 -0.13 3.56 1.08 -1.01 -1.12 115.11 118.98 2jxj h GLN 93 Ca 0.10 -0.59 0.01 0.00 -1.45 0.00 0.00 58.65 56.72 2jxj h GLN 93 Cb 0.65 0.09 -0.01 0.00 -0.05 0.00 0.00 27.48 28.16 2jxj h GLN 93 CO 0.05 1.22 0.07 1.25 -0.95 0.00 0.00 178.83 180.46 2jxj h LEU 94 N 0.63 0.11 -0.26 1.46 5.85 -1.04 0.51 115.31 122.58 2jxj h LEU 94 Ca -0.01 0.00 -0.11 0.00 0.84 0.00 0.00 57.88 58.60 2jxj h LEU 94 Cb 1.24 -0.02 -0.00 0.00 0.37 0.00 0.00 40.66 42.25 2jxj h LEU 94 CO 0.14 0.09 -0.28 0.00 -0.34 0.00 0.00 178.44 178.05 2jxj h ALA 95 N 1.06 0.39 -0.60 1.25 0.00 -1.49 -1.60 119.26 118.28 2jxj h ALA 95 Ca 0.05 -0.40 -0.07 0.00 0.00 0.00 0.00 54.91 54.50 2jxj h ALA 95 Cb 0.00 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 2jxj h ALA 95 CO -0.03 0.39 0.12 0.87 0.00 0.00 0.00 179.25 180.60 2jxj h LYS 96 N 0.38 0.97 -0.04 0.00 1.79 -1.06 0.21 116.57 118.82 2jxj h LYS 96 Ca 0.04 -0.25 -0.01 0.00 -2.18 0.00 0.00 60.65 58.25 2jxj h LYS 96 Cb 0.84 -0.12 -0.00 0.00 -1.58 0.00 0.00 32.23 31.37 2jxj h LYS 96 CO 0.07 0.91 -0.00 0.35 -1.08 0.00 0.00 179.45 179.69 2jxj h PHE 97 N 0.88 0.08 -0.34 -1.35 3.04 0.03 -2.96 116.94 116.33 2jxj h PHE 97 Ca 0.18 -0.02 -0.08 0.00 3.98 0.00 0.00 57.97 62.03 2jxj h PHE 97 Cb 0.40 -0.02 -0.02 0.00 2.56 0.00 0.00 35.95 38.87 2jxj h PHE 97 CO 0.03 0.39 -0.14 -1.49 -2.02 0.00 0.00 178.31 175.08 2jxj h TRP 98 N -0.25 0.66 -0.98 0.41 4.06 -1.25 -2.88 115.95 115.72 2jxj h TRP 98 Ca 0.01 -0.12 0.09 0.00 2.06 0.00 0.00 58.89 60.94 2jxj h TRP 98 Cb 0.36 -0.17 -0.08 0.00 -1.00 0.00 0.00 29.16 28.27 2jxj h TRP 98 CO 0.04 0.72 0.62 1.49 -3.56 0.00 0.00 178.44 177.75 2jxj h GLU 99 N 0.55 1.01 -0.07 0.49 4.57 -0.51 -0.06 114.58 120.56 2jxj h GLU 99 Ca 0.10 -0.06 -0.05 0.00 -1.18 0.00 0.00 59.36 58.16 2jxj h GLU 99 Cb 0.56 -0.23 -0.01 0.00 -0.16 0.00 0.00 28.75 28.91 2jxj h GLU 99 CO 0.04 0.67 -0.20 -0.07 -1.18 0.00 0.00 179.01 178.27 2jxj h LEU 100 N 1.04 0.11 -0.51 1.64 3.38 -1.34 -2.64 115.31 116.99 2jxj h LEU 100 Ca 0.46 -0.02 -0.14 0.00 0.09 0.00 0.00 57.88 58.27 2jxj h LEU 100 Cb 0.34 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.05 2jxj h LEU 100 CO -0.23 0.31 -0.26 1.56 0.09 0.00 0.00 178.44 179.92 2jxj h GLN 101 N 0.11 0.94 0.00 1.13 1.08 -1.02 -3.47 115.11 113.86 2jxj h GLN 101 Ca 0.02 -0.42 0.00 0.00 -1.45 0.00 0.00 58.65 56.80 2jxj h GLN 101 Cb 0.41 -0.02 0.00 0.00 -0.05 0.00 0.00 27.48 27.82 2jxj h GLN 101 CO 0.03 1.08 0.00 0.41 -0.95 0.00 0.00 178.83 179.40 2jxj n GLY 102 N -0.08 1.69 0.05 3.46 0.00 -0.95 -5.01 105.19 104.35 2jxj n GLY 102 Ca -0.00 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.00 2jxj n GLY 102 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2jxj n SER 103 N 0.00 1.53 -2.12 1.61 7.64 -1.22 -5.07 113.62 115.99 2jxj n SER 103 Ca 0.00 0.00 -0.01 0.00 1.01 0.00 0.00 58.87 59.87 2jxj n SER 103 Cb 0.00 1.13 -0.01 0.00 -1.01 0.00 0.00 64.21 64.32 2jxj n SER 103 CO 0.00 0.00 0.00 0.41 -3.01 0.00 0.00 175.04 172.44 2jxj n THR 104 N -2.36-10.79 -1.97 0.44 -1.04 -1.26 -4.89 114.28 92.42 2jxj n THR 104 Ca -0.16 2.37 -0.42 0.00 -2.04 0.00 0.00 64.05 63.80 2jxj n THR 104 Cb 0.77 -5.53 -0.03 0.00 -1.82 0.00 0.00 70.33 63.72 2jxj n THR 104 CO 0.00 0.00 0.00 -0.22 -0.64 0.00 0.00 175.07 174.21 2jxj s LEU 105 N -0.47 4.38 -0.06 -4.42 0.20 -1.26 -4.98 118.68 112.06 2jxj s LEU 105 Ca -0.06 2.66 0.03 0.00 0.69 0.00 0.00 54.13 57.45 2jxj s LEU 105 Cb 0.00 -3.61 0.01 0.00 -0.43 0.00 0.00 46.19 42.16 2jxj s LEU 105 CO 0.17 -0.76 -0.14 -0.54 -0.29 0.00 0.00 176.35 174.79 2jxj s LYS 106 N 0.21 1.69 -0.48 1.98 1.02 -1.26 -5.03 119.74 117.87 2jxj s LYS 106 Ca 0.64 -0.47 -0.11 0.00 0.02 0.00 0.00 55.97 56.05 2jxj s LYS 106 Cb -0.43 -1.42 0.11 0.00 -0.52 0.00 0.00 37.83 35.57 2jxj s LYS 106 CO 0.39 0.10 0.37 0.42 -0.92 0.00 0.00 175.35 175.71 2jxj s ILE 107 N 0.42 4.46 0.85 2.17 1.01 -1.26 -5.08 121.20 123.76 2jxj s ILE 107 Ca -0.10 -1.64 -0.12 0.00 0.00 0.00 0.00 60.65 58.79 2jxj s ILE 107 Cb -0.14 -3.88 0.10 0.00 0.01 0.00 0.00 42.46 38.55 2jxj s ILE 107 CO 0.03 -0.75 1.13 -2.84 0.00 0.00 0.00 174.94 172.51 2jxj s PRO 108 N 1.43 1.67 -0.17 2.79 0.02 -1.26 -5.06 135.00 134.43 2jxj s PRO 108 Ca 0.05 0.38 0.00 0.00 0.02 0.00 0.00 61.00 61.45 2jxj s PRO 108 Cb -0.26 -1.89 0.03 0.00 0.02 0.00 0.00 34.50 32.39 2jxj s PRO 108 CO 0.01 -1.85 -0.11 0.08 -0.33 0.00 0.00 177.00 174.79 2jxj s VAL 109 N -3.29 1.53 -0.14 3.83 1.01 -1.26 -4.31 120.40 117.77 2jxj s VAL 109 Ca 0.62 -0.76 -0.04 0.00 0.00 0.00 0.00 61.98 61.80 2jxj s VAL 109 Cb -0.14 -1.53 -0.03 0.00 0.00 0.00 0.00 36.38 34.68 2jxj s VAL 109 CO 0.53 0.31 -0.00 -0.69 0.00 0.00 0.00 175.10 175.25 2jxj s VAL 110 N 1.48 4.25 -1.45 2.92 1.01 -0.71 -4.51 120.40 123.39 2jxj s VAL 110 Ca 0.02 -0.24 -0.11 0.00 0.00 0.00 0.00 61.98 61.65 2jxj s VAL 110 Cb -0.14 -2.85 0.05 0.00 0.00 0.00 0.00 36.38 33.43 2jxj s VAL 110 CO -0.09 0.52 1.05 -0.62 0.00 0.00 0.00 175.10 175.95 2jxj n GLU 111 N 3.09 -6.58 -2.11 2.72 1.02 -1.26 -0.86 120.64 116.65 2jxj n GLU 111 Ca -0.18 0.72 -0.17 0.00 -0.02 0.00 0.00 57.16 57.51 2jxj n GLU 111 Cb 0.53 -5.69 -0.03 0.00 -0.02 0.00 0.00 31.44 26.23 2jxj n GLU 111 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 2jxj n ARG 112 N -4.78 -1.73 -3.98 3.49 1.74 -1.26 -4.95 116.66 105.18 2jxj n ARG 112 Ca 0.02 0.90 -0.14 0.00 -0.77 0.00 0.00 57.85 57.86 2jxj n ARG 112 Cb 0.55 -5.44 -0.14 0.00 -1.02 0.00 0.00 32.46 26.40 2jxj n ARG 112 CO 0.00 0.00 0.00 0.21 -1.52 0.00 0.00 177.63 176.32 2jxj s LYS 113 N -4.52 0.19 0.27 5.56 2.47 -0.04 -5.14 119.74 118.53 2jxj s LYS 113 Ca 0.00 -0.06 -0.29 0.00 -1.56 0.00 0.00 55.97 54.05 2jxj s LYS 113 Cb 0.00 -0.20 -0.09 0.00 -1.46 0.00 0.00 37.83 36.08 2jxj s LYS 113 CO 0.00 0.03 1.15 0.42 0.16 0.00 0.00 175.35 177.11 2jxj s ILE 114 N 0.05 3.37 -0.39 5.43 1.01 -1.26 -1.73 121.20 127.68 2jxj s ILE 114 Ca -0.00 1.34 -0.13 0.00 0.00 0.00 0.00 60.65 61.86 2jxj s ILE 114 Cb -0.02 -3.85 0.02 0.00 0.01 0.00 0.00 42.46 38.61 2jxj s ILE 114 CO -0.00 0.30 0.26 -0.22 0.00 0.00 0.00 174.94 175.28 2jxj s LEU 115 N -1.29 4.89 1.35 2.97 0.20 -1.26 -4.93 118.68 120.61 2jxj s LEU 115 Ca 0.47 -0.87 -0.19 0.00 0.69 0.00 0.00 54.13 54.22 2jxj s LEU 115 Cb -0.33 -2.11 0.34 0.00 -0.43 0.00 0.00 46.19 43.66 2jxj s LEU 115 CO 0.42 -0.40 0.89 -0.67 -0.29 0.00 0.00 176.35 176.30 2jxj n ASP 116 N 5.09 -3.19 0.07 3.68 2.03 -1.26 -5.00 116.55 117.97 2jxj n ASP 116 Ca -0.12 -0.57 0.00 0.00 0.52 0.00 0.00 54.79 54.62 2jxj n ASP 116 Cb 0.47 -1.10 0.00 0.00 -0.72 0.00 0.00 41.12 39.78 2jxj n ASP 116 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 2jxj n LEU 117 N -5.26 0.62 0.02 -2.67 4.77 -1.26 -4.63 117.00 108.59 2jxj n LEU 117 Ca 0.08 0.22 -0.10 0.00 -0.03 0.00 0.00 56.01 56.18 2jxj n LEU 117 Cb 0.57 -0.09 -0.04 0.00 -2.33 0.00 0.00 43.42 41.53 2jxj n LEU 117 CO 0.47 -0.74 0.80 0.22 -1.33 0.00 0.00 177.39 176.82 2jxj h TYR 118 N 0.00 -0.23 -0.93 -1.77 3.20 -1.95 -0.01 116.97 115.27 2jxj h TYR 118 Ca 0.00 0.01 0.08 0.00 3.14 0.00 0.00 58.73 61.96 2jxj h TYR 118 Cb 0.00 0.11 -0.06 0.00 1.54 0.00 0.00 36.73 38.32 2jxj h TYR 118 CO 0.00 -0.14 0.60 0.00 -1.64 0.00 0.00 178.16 176.98 2jxj h ALA 119 N 0.90 1.53 -0.39 1.82 0.00 -2.00 -1.75 119.26 119.37 2jxj h ALA 119 Ca 0.06 -0.01 -0.14 0.00 0.00 0.00 0.00 54.91 54.81 2jxj h ALA 119 Cb 0.21 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 2jxj h ALA 119 CO -0.14 0.31 -0.32 1.25 0.00 0.00 0.00 179.25 180.35 2jxj h LEU 120 N 1.01 0.92 -0.60 0.00 7.12 -1.66 -2.95 115.31 119.15 2jxj h LEU 120 Ca 0.41 -0.39 0.03 0.00 0.13 0.00 0.00 57.88 58.07 2jxj h LEU 120 Cb 0.28 -0.26 -0.04 0.00 -0.53 0.00 0.00 40.66 40.11 2jxj h LEU 120 CO -0.17 1.16 0.36 -1.28 -0.13 0.00 0.00 178.44 178.38 2jxj h SER 121 N 0.74 0.58 -0.40 1.25 0.87 -0.13 -1.67 113.55 114.78 2jxj h SER 121 Ca 0.08 0.01 -0.01 0.00 -1.23 0.00 0.00 61.79 60.63 2jxj h SER 121 Cb 0.88 -0.12 -0.02 0.00 -0.44 0.00 0.00 62.40 62.71 2jxj h SER 121 CO 0.08 0.40 0.21 0.11 -0.53 0.00 0.00 176.83 177.10 2jxj h LYS 122 N 0.71 0.56 -0.15 2.24 1.57 -1.41 -1.85 116.57 118.24 2jxj h LYS 122 Ca 0.25 -0.07 0.01 0.00 -1.87 0.00 0.00 60.65 58.97 2jxj h LYS 122 Cb 0.04 -0.11 -0.02 0.00 0.08 0.00 0.00 32.23 32.23 2jxj h LYS 122 CO -0.11 0.47 0.05 0.82 -0.57 0.00 0.00 179.45 180.11 2jxj h ILE 123 N 0.50 0.96 -0.04 1.86 2.04 -1.30 -0.37 117.51 121.17 2jxj h ILE 123 Ca 0.14 -0.04 0.01 0.00 1.00 0.00 0.00 64.86 65.97 2jxj h ILE 123 Cb 0.08 0.83 -0.01 0.00 -0.74 0.00 0.00 36.82 36.98 2jxj h ILE 123 CO -0.02 0.02 -0.02 0.58 0.00 0.00 0.00 178.15 178.71 2jxj h VAL 124 N 0.12 0.93 -0.36 1.67 2.07 -1.20 -2.55 116.25 116.94 2jxj h VAL 124 Ca 0.06 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.61 2jxj h VAL 124 Cb 0.04 0.93 -0.03 0.00 -1.52 0.00 0.00 31.29 30.71 2jxj h VAL 124 CO -0.07 0.00 0.17 0.00 0.02 0.00 0.00 177.57 177.69 2jxj h ALA 125 N 1.03 0.43 -0.07 1.67 0.00 -1.18 -0.78 119.26 120.36 2jxj h ALA 125 Ca 0.02 0.02 0.02 0.00 0.00 0.00 0.00 54.91 54.97 2jxj h ALA 125 Cb 0.05 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 17.80 2jxj h ALA 125 CO -0.05 -0.21 0.17 0.66 0.00 0.00 0.00 179.25 179.81 2jxj h SER 126 N 0.35 0.00 0.16 0.00 4.64 -0.83 -1.47 113.55 116.39 2jxj h SER 126 Ca 0.15 0.00 -0.36 0.00 -0.47 0.00 0.00 61.79 61.11 2jxj h SER 126 Cb 0.08 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.16 2jxj h SER 126 CO -0.12 0.00 -1.86 0.11 -0.87 0.00 0.00 176.83 174.09 2jxj h LYS 127 N 0.00 0.34 0.00 4.77 1.79 -0.77 -3.48 116.57 119.22 2jxj h LYS 127 Ca 0.03 -0.57 0.00 0.00 -2.18 0.00 0.00 60.65 57.93 2jxj h LYS 127 Cb 0.36 0.21 0.00 0.00 -1.58 0.00 0.00 32.23 31.23 2jxj h LYS 127 CO -0.00 1.27 0.00 0.41 -1.08 0.00 0.00 179.45 180.05 2jxj n GLY 128 N 1.92 0.00 5.00 3.86 0.00 -0.57 -4.71 105.19 110.69 2jxj n GLY 128 Ca -0.28 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.74 2jxj n GLY 128 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2jxj n GLY 129 N 0.00 1.34 0.28 -0.02 0.00 -1.05 -3.44 105.19 102.29 2jxj n GLY 129 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.00 2jxj n GLY 129 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 2jxj n PHE 130 N 0.00 -0.67 -0.21 1.61 -0.00 -1.26 -4.13 117.46 112.80 2jxj n PHE 130 Ca 0.00 0.03 -0.02 0.00 -0.00 0.00 0.00 57.45 57.46 2jxj n PHE 130 Cb 0.00 0.19 0.08 0.00 -0.00 0.00 0.00 39.48 39.75 2jxj n PHE 130 CO 0.00 0.00 0.00 0.93 -0.00 0.00 0.00 176.76 177.69 2jxj h GLU 131 N 0.00 0.59 -0.26 -4.13 5.08 -1.96 -1.04 114.58 112.85 2jxj h GLU 131 Ca 0.00 -0.04 -0.01 0.00 -1.00 0.00 0.00 59.36 58.32 2jxj h GLU 131 Cb 0.00 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.10 2jxj h GLU 131 CO 0.00 0.39 0.12 1.98 -1.00 0.00 0.00 179.01 180.50 2jxj h MET 132 N 0.60 0.36 -0.08 2.33 4.05 -1.89 -0.70 114.93 119.61 2jxj h MET 132 Ca 0.27 -0.03 -0.02 0.00 -0.28 0.00 0.00 59.70 59.64 2jxj h MET 132 Cb 0.18 -0.07 -0.00 0.00 -0.80 0.00 0.00 31.60 30.90 2jxj h MET 132 CO -0.18 0.28 -0.01 0.28 0.23 0.00 0.00 176.91 177.51 2jxj h VAL 133 N 0.36 1.28 -0.63 -5.77 2.07 -1.46 -2.04 116.25 110.06 2jxj h VAL 133 Ca 0.09 -0.88 -0.09 0.00 0.82 0.00 0.00 66.70 66.64 2jxj h VAL 133 Cb 0.05 1.72 -0.02 0.00 -1.52 0.00 0.00 31.29 31.51 2jxj h VAL 133 CO -0.01 0.25 0.05 0.74 0.02 0.00 0.00 177.57 178.61 2jxj h THR 134 N -0.18 1.26 -0.71 2.57 2.02 -1.05 0.87 112.91 117.69 2jxj h THR 134 Ca 0.02 -1.10 -0.02 0.00 0.77 0.00 0.00 66.41 66.08 2jxj h THR 134 Cb 0.39 0.72 -0.03 0.00 -1.74 0.00 0.00 68.15 67.49 2jxj h THR 134 CO 0.01 0.40 0.36 0.11 0.37 0.00 0.00 175.52 176.77 2jxj h LYS 135 N 0.99 1.00 0.00 6.66 1.79 -1.11 -2.41 116.57 123.49 2jxj h LYS 135 Ca 0.19 -0.13 0.00 0.00 -2.18 0.00 0.00 60.65 58.53 2jxj h LYS 135 Cb 0.50 -0.19 0.00 0.00 -1.58 0.00 0.00 32.23 30.96 2jxj h LYS 135 CO 0.02 0.76 -0.90 0.39 -1.08 0.00 0.00 179.45 178.63 2jxj n GLU 136 N -4.34 0.24 -3.11 3.15 1.02 -0.77 -4.97 120.64 111.86 2jxj n GLU 136 Ca 0.07 0.01 -0.17 0.00 -0.02 0.00 0.00 57.16 57.05 2jxj n GLU 136 Cb 0.12 -1.59 0.05 0.00 -0.02 0.00 0.00 31.44 30.00 2jxj n GLU 136 CO 0.00 0.00 0.00 1.17 1.18 0.00 0.00 177.13 179.48 2jxj n LYS 137 N -1.90 -4.88 -0.17 3.49 4.81 0.29 -4.90 118.16 114.90 2jxj n LYS 137 Ca 0.03 0.61 0.06 0.00 -0.87 0.00 0.00 58.31 58.13 2jxj n LYS 137 Cb 0.42 -4.91 0.17 0.00 0.02 0.00 0.00 35.03 30.73 2jxj n LYS 137 CO 0.00 0.00 0.00 1.63 1.17 0.00 0.00 177.40 180.20 2jxj n LYS 138 N -3.46 1.81 0.12 1.64 5.02 -0.35 -4.07 118.16 118.86 2jxj n LYS 138 Ca -0.02 -1.26 0.01 0.00 -2.02 0.00 0.00 58.31 55.02 2jxj n LYS 138 Cb 0.56 -1.28 0.35 0.00 -0.02 0.00 0.00 35.03 34.64 2jxj n LYS 138 CO 0.00 0.00 0.00 -1.49 -0.52 0.00 0.00 177.40 175.39 2jxj h TRP 139 N 2.07 0.24 -0.50 2.13 4.06 -1.91 -2.57 115.95 119.48 2jxj h TRP 139 Ca 0.00 -0.04 -0.09 0.00 2.06 0.00 0.00 58.89 60.83 2jxj h TRP 139 Cb 0.47 -0.07 -0.02 0.00 -1.00 0.00 0.00 29.16 28.55 2jxj h TRP 139 CO 0.23 0.42 -0.03 0.77 -3.56 0.00 0.00 178.44 176.26 2jxj h SER 140 N 0.21 0.90 -0.18 -3.49 0.02 -1.92 -2.84 113.55 106.26 2jxj h SER 140 Ca 0.04 -0.32 -0.07 0.00 -0.84 0.00 0.00 61.79 60.60 2jxj h SER 140 Cb 0.48 -0.24 -0.02 0.00 0.14 0.00 0.00 62.40 62.76 2jxj h SER 140 CO 0.03 1.01 -0.10 0.11 -1.14 0.00 0.00 176.83 176.74 2jxj h LYS 141 N 0.77 0.53 -0.48 3.45 1.57 -1.77 -2.39 116.57 118.27 2jxj h LYS 141 Ca 0.14 -0.15 0.00 0.00 -1.87 0.00 0.00 60.65 58.77 2jxj h LYS 141 Cb 0.56 -0.06 -0.02 0.00 0.08 0.00 0.00 32.23 32.79 2jxj h LYS 141 CO 0.03 0.63 0.31 0.28 -0.57 0.00 0.00 179.45 180.13 2jxj h VAL 142 N 0.50 1.13 -0.13 0.50 2.07 -1.24 -2.51 116.25 116.56 2jxj h VAL 142 Ca 0.09 -0.24 -0.11 0.00 0.82 0.00 0.00 66.70 67.26 2jxj h VAL 142 Cb 0.47 0.44 -0.01 0.00 -1.52 0.00 0.00 31.29 30.67 2jxj h VAL 142 CO 0.03 0.12 -0.40 1.23 0.02 0.00 0.00 177.57 178.57 2jxj h GLY 143 N 0.64 0.32 1.21 2.17 0.00 -1.31 -2.95 103.07 103.14 2jxj h GLY 143 Ca 0.17 -0.30 0.03 0.00 0.00 0.00 0.00 47.33 47.24 2jxj h GLY 143 CO -0.04 0.27 0.45 1.76 0.00 0.00 0.00 176.54 178.99 2jxj h SER 144 N 0.25 0.70 0.63 0.19 0.02 -1.00 -0.42 113.55 113.92 2jxj h SER 144 Ca 0.02 -0.01 -0.12 0.00 -0.84 0.00 0.00 61.79 60.84 2jxj h SER 144 Cb 0.82 -0.16 -0.02 0.00 0.14 0.00 0.00 62.40 63.18 2jxj h SER 144 CO 0.06 0.48 -0.58 -0.09 -1.14 0.00 0.00 176.83 175.57 2jxj h ARG 145 N 0.81 0.00 0.09 3.45 2.43 -1.34 -3.34 114.38 116.49 2jxj h ARG 145 Ca 0.27 0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 59.44 2jxj h ARG 145 Cb 0.07 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.62 2jxj h ARG 145 CO -0.08 0.58 -0.04 1.25 -1.51 0.00 0.00 179.97 180.17 2jxj h LEU 146 N 0.00 -0.10 0.00 3.80 5.85 -1.12 -3.48 115.31 120.26 2jxj h LEU 146 Ca -0.01 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 2jxj h LEU 146 Cb 1.04 0.03 0.00 0.00 0.37 0.00 0.00 40.66 42.10 2jxj h LEU 146 CO 0.07 0.06 0.00 0.61 -0.34 0.00 0.00 178.44 178.85 2jxj n GLY 147 N 1.15 0.00 3.39 3.75 0.00 -0.31 -5.08 105.19 108.09 2jxj n GLY 147 Ca -0.02 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.68 2jxj n GLY 147 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2jxj s TYR 148 N 0.00 2.71 -0.06 1.61 2.02 -0.74 -4.92 117.35 117.98 2jxj s TYR 148 Ca 0.00 -0.49 -0.02 0.00 -0.37 0.00 0.00 57.07 56.19 2jxj s TYR 148 Cb 0.00 -1.73 -0.04 0.00 -0.40 0.00 0.00 41.96 39.80 2jxj s TYR 148 CO 0.00 -0.07 0.03 -0.51 -1.57 0.00 0.00 175.55 173.43 2jxj s LEU 149 N -0.11 3.72 0.74 -1.29 1.43 -1.26 -4.20 118.68 117.71 2jxj s LEU 149 Ca -0.02 0.16 -0.16 0.00 -1.03 0.00 0.00 54.13 53.08 2jxj s LEU 149 Cb -0.14 -1.97 -0.01 0.00 0.03 0.00 0.00 46.19 44.10 2jxj s LEU 149 CO 0.04 0.35 0.68 -2.65 0.23 0.00 0.00 176.35 174.99 2jxj n PRO 150 N 1.82 0.30 0.00 1.29 -0.02 -1.26 -4.87 135.00 132.27 2jxj n PRO 150 Ca -0.17 0.15 0.00 0.00 -2.02 0.00 0.00 63.50 61.46 2jxj n PRO 150 Cb 0.53 -1.97 0.00 0.00 -0.02 0.00 0.00 33.50 32.04 2jxj n PRO 150 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2jxj n GLY 151 N 1.42 -2.32 0.03 -1.23 0.00 -1.26 -5.01 105.19 96.81 2jxj n GLY 151 Ca 0.11 0.78 -0.04 0.00 0.00 0.00 0.00 46.02 46.87 2jxj n GLY 151 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2jxj n LYS 152 N -0.46 0.56 0.00 1.61 4.01 -1.26 -5.09 118.16 117.53 2jxj n LYS 152 Ca 0.00 0.03 0.00 0.00 -0.51 0.00 0.00 58.31 57.83 2jxj n LYS 152 Cb 0.00 -1.12 0.00 0.00 -0.51 0.00 0.00 35.03 33.40 2jxj n LYS 152 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 2jxj n GLY 153 N 3.15 -1.80 2.60 0.72 0.00 -1.26 -4.99 105.19 103.61 2jxj n GLY 153 Ca -0.10 0.60 -0.14 0.00 0.00 0.00 0.00 46.02 46.38 2jxj n GLY 153 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2jxj n THR 154 N 0.00 0.00 0.01 2.61 -1.04 -1.26 -4.87 114.28 109.74 2jxj n THR 154 Ca 0.00 0.00 -0.18 0.00 -2.04 0.00 0.00 64.05 61.83 2jxj n THR 154 Cb 0.00 -1.56 -0.10 0.00 -1.82 0.00 0.00 70.33 66.85 2jxj n THR 154 CO 0.00 0.00 0.00 1.23 -0.64 0.00 0.00 175.07 175.66 2jxj h GLY 155 N 0.00 0.65 1.49 3.41 0.00 -1.94 -3.04 103.07 103.64 2jxj h GLY 155 Ca -0.28 -1.08 -0.07 0.00 0.00 0.00 0.00 47.33 45.90 2jxj h GLY 155 CO 0.41 0.96 -0.06 1.76 0.00 0.00 0.00 176.54 179.60 2jxj h SER 156 N 0.20 0.60 -0.38 0.19 0.02 -1.99 -2.42 113.55 109.78 2jxj h SER 156 Ca -0.09 -0.15 -0.03 0.00 -0.84 0.00 0.00 61.79 60.68 2jxj h SER 156 Cb 1.45 -0.16 -0.02 0.00 0.14 0.00 0.00 62.40 63.82 2jxj h SER 156 CO 0.16 0.71 0.12 -0.07 -1.14 0.00 0.00 176.83 176.61 2jxj h LEU 157 N 0.58 0.55 -0.83 5.07 4.07 -1.96 0.26 115.31 123.04 2jxj h LEU 157 Ca 0.11 -0.20 -0.03 0.00 0.08 0.00 0.00 57.88 57.84 2jxj h LEU 157 Cb 0.46 -0.14 -0.04 0.00 1.08 0.00 0.00 40.66 42.02 2jxj h LEU 157 CO 0.02 0.60 0.41 -0.07 -1.08 0.00 0.00 178.44 178.33 2jxj h LEU 158 N 0.46 1.08 -0.16 1.67 3.38 -1.39 0.26 115.31 120.61 2jxj h LEU 158 Ca 0.12 -0.13 -0.13 0.00 0.09 0.00 0.00 57.88 57.84 2jxj h LEU 158 Cb 0.25 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 40.73 2jxj h LEU 158 CO -0.00 0.90 -0.40 0.11 0.09 0.00 0.00 178.44 179.13 2jxj h LYS 159 N 1.17 0.55 -0.26 1.13 1.57 -1.23 -0.64 116.57 118.87 2jxj h LYS 159 Ca 0.29 -0.38 -0.03 0.00 -1.87 0.00 0.00 60.65 58.65 2jxj h LYS 159 Cb 0.10 0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.45 2jxj h LYS 159 CO -0.04 1.00 0.03 0.77 -0.57 0.00 0.00 179.45 180.64 2jxj h SER 160 N 0.19 0.42 -0.40 0.86 0.02 -0.30 -0.80 113.55 113.55 2jxj h SER 160 Ca -0.01 -0.28 -0.06 0.00 -0.84 0.00 0.00 61.79 60.61 2jxj h SER 160 Cb 1.01 -0.11 -0.01 0.00 0.14 0.00 0.00 62.40 63.43 2jxj h SER 160 CO 0.09 0.59 0.00 0.45 -1.14 0.00 0.00 176.83 176.82 2jxj h HIS 161 N 0.24 0.76 -0.09 3.45 3.86 -0.54 -3.15 115.15 119.68 2jxj h HIS 161 Ca 0.08 -0.13 0.00 0.00 -1.16 0.00 0.00 60.37 59.16 2jxj h HIS 161 Cb 0.36 -0.20 -0.00 0.00 1.06 0.00 0.00 27.41 28.63 2jxj h HIS 161 CO 0.03 0.78 0.06 -0.92 0.86 0.00 0.00 177.93 178.73 2jxj h TYR 162 N 0.52 0.12 -2.17 2.45 3.20 -1.05 -3.25 116.97 116.79 2jxj h TYR 162 Ca 0.11 0.00 -0.78 0.00 3.14 0.00 0.00 58.73 61.21 2jxj h TYR 162 Cb 0.47 -0.04 -0.21 0.00 1.54 0.00 0.00 36.73 38.49 2jxj h TYR 162 CO 0.04 0.09 1.40 -1.91 -1.64 0.00 0.00 178.16 176.14 2jxj n GLU 163 N -5.01 3.91 0.00 1.82 2.13 -0.31 -2.69 120.64 120.49 2jxj n GLU 163 Ca -0.05 -4.00 0.00 0.00 0.66 0.00 0.00 57.16 53.77 2jxj n GLU 163 Cb 0.04 -2.76 0.00 0.00 0.27 0.00 0.00 31.44 28.99 2jxj n GLU 163 CO 0.00 0.00 0.00 -2.13 -0.41 0.00 0.00 177.13 174.59 2jxj n ARG 164 N 3.01 0.00 0.07 5.31 0.00 -1.22 -4.82 116.66 119.01 2jxj n ARG 164 Ca 0.33 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 58.18 2jxj n ARG 164 Cb 0.36 -0.11 0.00 0.00 0.00 0.00 0.00 32.46 32.71 2jxj n ARG 164 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.63 176.74 2jxj n ILE 165 N -1.42 0.63 -0.13 5.15 -0.00 -1.26 -4.70 119.36 117.62 2jxj n ILE 165 Ca 0.00 0.21 -0.10 0.00 -0.00 0.00 0.00 62.75 62.86 2jxj n ILE 165 Cb 0.00 -1.07 -0.01 0.00 -0.00 0.00 0.00 39.64 38.56 2jxj n ILE 165 CO 0.00 0.00 0.00 0.17 -0.00 0.00 0.00 176.55 176.72 2jxj h LEU 166 N 0.00 0.59 0.68 1.39 -0.00 -1.84 -2.64 115.31 113.49 2jxj h LEU 166 Ca 0.00 -0.23 -0.03 0.00 -0.00 0.00 0.00 57.88 57.62 2jxj h LEU 166 Cb 0.00 -0.16 0.01 0.00 -0.00 0.00 0.00 40.66 40.51 2jxj h LEU 166 CO 0.00 0.67 -0.33 0.22 -0.00 0.00 0.00 178.44 179.00 2jxj h TYR 167 N 0.49 -0.85 -0.29 0.17 3.20 -1.85 -2.82 116.97 115.03 2jxj h TYR 167 Ca 0.12 -0.02 0.08 0.00 3.14 0.00 0.00 58.73 62.06 2jxj h TYR 167 Cb 0.30 0.28 -0.01 0.00 1.54 0.00 0.00 36.73 38.84 2jxj h TYR 167 CO 0.02 -0.50 0.31 -1.00 -1.64 0.00 0.00 178.16 175.34 2jxj h PRO 168 N -1.00 0.00 0.31 1.82 0.13 -1.84 -2.12 132.00 129.30 2jxj h PRO 168 Ca -0.09 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 65.02 2jxj h PRO 168 Cb 0.72 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.86 2jxj h PRO 168 CO 0.15 0.00 -0.15 -0.92 -0.23 0.00 0.00 178.00 176.86 2jxj h TYR 169 N 0.00 -0.38 -0.11 1.56 3.20 -1.20 -0.10 116.97 119.94 2jxj h TYR 169 Ca 0.14 -0.01 0.02 0.00 3.14 0.00 0.00 58.73 62.02 2jxj h TYR 169 Cb 0.75 0.13 -0.02 0.00 1.54 0.00 0.00 36.73 39.13 2jxj h TYR 169 CO 0.00 -0.23 -0.04 1.49 -1.64 0.00 0.00 178.16 177.75 2jxj h GLU 170 N -0.43 -0.02 -0.55 1.82 4.81 -1.37 -1.76 114.58 117.07 2jxj h GLU 170 Ca -0.04 0.00 0.06 0.00 -0.13 0.00 0.00 59.36 59.25 2jxj h GLU 170 Cb 0.33 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 29.68 2jxj h GLU 170 CO 0.07 -0.01 0.37 -0.07 -0.73 0.00 0.00 179.01 178.64 2jxj h LEU 171 N -0.02 0.43 -1.60 1.64 3.38 -1.43 -0.36 115.31 117.36 2jxj h LEU 171 Ca 0.06 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.00 2jxj h LEU 171 Cb 0.10 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 40.75 2jxj h LEU 171 CO -0.12 0.28 -0.08 0.15 0.09 0.00 0.00 178.44 178.76 2jxj h PHE 172 N 0.50 0.16 -0.24 1.13 3.04 -0.11 0.92 116.94 122.33 2jxj h PHE 172 Ca 0.24 -0.01 -0.08 0.00 3.98 0.00 0.00 57.97 62.10 2jxj h PHE 172 Cb 0.32 -0.05 -0.01 0.00 2.56 0.00 0.00 35.95 38.77 2jxj h PHE 172 CO -0.00 0.24 -0.17 1.96 -2.02 0.00 0.00 178.31 178.32 2jxj h GLN 173 N 0.15 0.55 -0.57 1.11 1.08 -0.77 -3.12 115.11 113.53 2jxj h GLN 173 Ca 0.03 -0.26 -0.23 0.00 -1.45 0.00 0.00 58.65 56.74 2jxj h GLN 173 Cb 0.25 -0.00 -0.14 0.00 -0.05 0.00 0.00 27.48 27.54 2jxj h GLN 173 CO 0.01 0.83 0.18 0.43 -0.95 0.00 0.00 178.83 179.34 2jxj n SER 174 N -4.43 3.57 0.00 1.46 7.64 -0.99 -5.15 113.62 115.73 2jxj n SER 174 Ca -0.04 -3.48 0.00 0.00 1.01 0.00 0.00 58.87 56.36 2jxj n SER 174 Cb 0.39 -0.69 0.00 0.00 -1.01 0.00 0.00 64.21 62.89 2jxj n SER 174 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64