#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jxj s PRO 81 N 0.00 3.91 -0.24 1.61 0.04 -1.26 -5.00 135.00 134.06 2jxj s PRO 81 Ca 0.00 1.64 -0.06 0.00 0.04 0.00 0.00 61.00 62.62 2jxj s PRO 81 Cb 0.00 -3.97 -0.01 0.00 0.04 0.00 0.00 34.50 30.56 2jxj s PRO 81 CO 0.00 -1.14 0.02 -0.51 0.04 0.00 0.00 177.00 175.41 2jxj s LEU 82 N 4.70 3.26 0.00 -3.56 1.43 -1.26 -4.72 118.68 118.53 2jxj s LEU 82 Ca 0.67 -0.38 0.00 0.00 -1.03 0.00 0.00 54.13 53.39 2jxj s LEU 82 Cb -0.24 -1.83 0.00 0.00 0.03 0.00 0.00 46.19 44.15 2jxj s LEU 82 CO 0.26 -0.05 0.00 0.61 0.23 0.00 0.00 176.35 177.40 2jxj n GLY 83 N 4.85 -0.99 0.05 -3.19 0.00 -1.26 -5.02 105.19 99.63 2jxj n GLY 83 Ca -0.17 0.55 -0.05 0.00 0.00 0.00 0.00 46.02 46.35 2jxj n GLY 83 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2jxj n SER 84 N 0.00 2.46 -0.18 1.61 7.64 -1.26 -4.50 113.62 119.39 2jxj n SER 84 Ca 0.00 0.00 -0.06 0.00 1.01 0.00 0.00 58.87 59.82 2jxj n SER 84 Cb 0.00 0.79 0.03 0.00 -1.01 0.00 0.00 64.21 64.02 2jxj n SER 84 CO 0.00 0.00 0.00 0.03 -3.01 0.00 0.00 175.04 172.06 2jxj h ARG 85 N 0.00 0.65 -0.60 1.43 -0.00 -1.95 -2.06 114.38 111.84 2jxj h ARG 85 Ca -0.27 -0.04 0.01 0.00 -0.50 0.00 0.00 59.98 59.18 2jxj h ARG 85 Cb 1.58 -0.15 -0.03 0.00 0.00 0.00 0.00 29.97 31.38 2jxj h ARG 85 CO 0.01 0.43 0.40 -0.39 0.00 0.00 0.00 179.97 180.42 2jxj h VAL 86 N 0.67 1.16 -0.07 2.04 -1.51 -1.84 -1.39 116.25 115.31 2jxj h VAL 86 Ca 0.20 -0.28 -0.00 0.00 -1.23 0.00 0.00 66.70 65.39 2jxj h VAL 86 Cb -0.03 0.26 -0.00 0.00 -2.13 0.00 0.00 31.29 29.40 2jxj h VAL 86 CO -0.07 0.15 0.03 0.03 -1.23 0.00 0.00 177.57 176.48 2jxj h ARG 87 N 0.82 0.10 -0.63 5.19 3.08 -1.61 -1.95 114.38 119.37 2jxj h ARG 87 Ca 0.22 -0.02 -0.02 0.00 0.07 0.00 0.00 59.98 60.23 2jxj h ARG 87 Cb -0.10 -0.02 -0.03 0.00 0.08 0.00 0.00 29.97 29.91 2jxj h ARG 87 CO -0.05 0.23 0.31 1.25 -1.07 0.00 0.00 179.97 180.64 2jxj h LEU 88 N -0.05 0.82 -0.75 3.04 5.85 -1.09 -2.72 115.31 120.41 2jxj h LEU 88 Ca 0.02 -0.12 0.05 0.00 0.84 0.00 0.00 57.88 58.66 2jxj h LEU 88 Cb 0.17 -0.21 -0.05 0.00 0.37 0.00 0.00 40.66 40.93 2jxj h LEU 88 CO -0.00 0.71 0.46 0.44 -0.34 0.00 0.00 178.44 179.71 2jxj h ASP 89 N 0.87 0.73 -0.18 1.25 5.19 -1.14 -1.90 116.42 121.23 2jxj h ASP 89 Ca 0.22 0.01 0.02 0.00 -0.62 0.00 0.00 57.03 56.66 2jxj h ASP 89 Cb 0.10 -0.14 -0.02 0.00 0.18 0.00 0.00 39.33 39.45 2jxj h ASP 89 CO -0.03 0.48 0.05 0.15 -3.12 0.00 0.00 179.24 176.77 2jxj h PHE 90 N 0.86 0.09 -0.30 4.55 3.04 -1.06 -1.89 116.94 122.23 2jxj h PHE 90 Ca 0.32 0.01 0.00 0.00 3.98 0.00 0.00 57.97 62.28 2jxj h PHE 90 Cb 0.10 -0.01 -0.01 0.00 2.56 0.00 0.00 35.95 38.58 2jxj h PHE 90 CO -0.05 0.04 0.20 -0.07 -2.02 0.00 0.00 178.31 176.41 2jxj h LEU 91 N 0.13 0.34 -0.40 0.59 4.07 -1.22 -2.11 115.31 116.72 2jxj h LEU 91 Ca 0.08 -0.01 -0.01 0.00 0.08 0.00 0.00 57.88 58.02 2jxj h LEU 91 Cb 0.06 -0.09 -0.02 0.00 1.08 0.00 0.00 40.66 41.69 2jxj h LEU 91 CO -0.09 0.25 0.20 0.44 -1.08 0.00 0.00 178.44 178.17 2jxj h ASP 92 N 0.41 0.52 -0.61 -0.43 3.32 -0.56 0.30 116.42 119.36 2jxj h ASP 92 Ca 0.11 -0.11 -0.10 0.00 0.02 0.00 0.00 57.03 56.95 2jxj h ASP 92 Cb -0.05 -0.13 -0.02 0.00 0.22 0.00 0.00 39.33 39.35 2jxj h ASP 92 CO -0.02 0.48 -0.01 1.56 -1.72 0.00 0.00 179.24 179.52 2jxj h GLN 93 N 0.51 1.08 -0.33 3.56 1.08 -1.02 0.14 115.11 120.13 2jxj h GLN 93 Ca 0.14 -0.35 -0.04 0.00 -1.45 0.00 0.00 58.65 56.95 2jxj h GLN 93 Cb 0.09 -0.09 -0.01 0.00 -0.05 0.00 0.00 27.48 27.42 2jxj h GLN 93 CO -0.02 1.06 0.06 1.25 -0.95 0.00 0.00 178.83 180.23 2jxj h LEU 94 N 0.98 0.52 -0.26 1.46 5.85 -1.17 0.22 115.31 122.91 2jxj h LEU 94 Ca 0.17 -0.25 -0.11 0.00 0.84 0.00 0.00 57.88 58.53 2jxj h LEU 94 Cb 0.58 -0.14 -0.00 0.00 0.37 0.00 0.00 40.66 41.47 2jxj h LEU 94 CO 0.03 0.64 -0.27 0.00 -0.34 0.00 0.00 178.44 178.50 2jxj h ALA 95 N 0.90 0.39 -0.41 1.25 0.00 -0.85 -1.70 119.26 118.84 2jxj h ALA 95 Ca 0.10 -0.39 -0.07 0.00 0.00 0.00 0.00 54.91 54.55 2jxj h ALA 95 Cb 0.33 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 2jxj h ALA 95 CO 0.00 0.39 -0.01 0.87 0.00 0.00 0.00 179.25 180.51 2jxj h LYS 96 N 0.37 0.72 -0.07 0.00 1.79 -0.67 0.71 116.57 119.43 2jxj h LYS 96 Ca 0.04 -0.23 -0.00 0.00 -2.18 0.00 0.00 60.65 58.27 2jxj h LYS 96 Cb 0.84 -0.06 -0.00 0.00 -1.58 0.00 0.00 32.23 31.42 2jxj h LYS 96 CO 0.07 0.81 0.03 0.35 -1.08 0.00 0.00 179.45 179.62 2jxj h PHE 97 N 0.55 0.11 -0.39 -1.35 3.57 -0.57 -2.73 116.94 116.14 2jxj h PHE 97 Ca 0.11 -0.01 -0.08 0.00 3.53 0.00 0.00 57.97 61.52 2jxj h PHE 97 Cb 0.49 -0.03 -0.02 0.00 2.79 0.00 0.00 35.95 39.18 2jxj h PHE 97 CO 0.04 0.24 -0.10 -1.49 -2.23 0.00 0.00 178.31 174.77 2jxj h TRP 98 N -0.06 0.73 -0.80 0.41 4.06 -1.29 -2.91 115.95 116.09 2jxj h TRP 98 Ca 0.02 -0.12 0.08 0.00 2.06 0.00 0.00 58.89 60.93 2jxj h TRP 98 Cb 0.18 -0.19 -0.07 0.00 -1.00 0.00 0.00 29.16 28.08 2jxj h TRP 98 CO -0.01 0.75 0.46 0.93 -3.56 0.00 0.00 178.44 177.01 2jxj h GLU 99 N 0.62 0.78 -0.17 0.49 5.08 -0.68 -0.34 114.58 120.35 2jxj h GLU 99 Ca 0.11 -0.05 -0.01 0.00 -1.00 0.00 0.00 59.36 58.41 2jxj h GLU 99 Cb 0.54 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 29.61 2jxj h GLU 99 CO 0.03 0.51 0.06 -0.07 -1.00 0.00 0.00 179.01 178.55 2jxj h LEU 100 N 0.80 0.21 -0.29 1.33 3.38 -1.28 -2.32 115.31 117.15 2jxj h LEU 100 Ca 0.37 -0.01 -0.14 0.00 0.09 0.00 0.00 57.88 58.19 2jxj h LEU 100 Cb 0.30 -0.05 -0.00 0.00 0.09 0.00 0.00 40.66 40.99 2jxj h LEU 100 CO -0.22 0.20 -0.38 1.56 0.09 0.00 0.00 178.44 179.69 2jxj h GLN 101 N 0.24 0.76 0.00 1.13 1.08 -1.09 -3.48 115.11 113.75 2jxj h GLN 101 Ca 0.06 -0.44 0.00 0.00 -1.45 0.00 0.00 58.65 56.82 2jxj h GLN 101 Cb 0.06 0.03 0.00 0.00 -0.05 0.00 0.00 27.48 27.53 2jxj h GLN 101 CO -0.01 1.06 0.00 0.41 -0.95 0.00 0.00 178.83 179.35 2jxj n GLY 102 N 0.25 1.73 0.07 3.46 0.00 -0.87 -5.02 105.19 104.82 2jxj n GLY 102 Ca -0.04 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.94 2jxj n GLY 102 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2jxj n SER 103 N 0.00 0.02 -2.12 1.61 2.88 -1.20 -5.06 113.62 109.74 2jxj n SER 103 Ca 0.00 0.00 -0.02 0.00 -1.33 0.00 0.00 58.87 57.52 2jxj n SER 103 Cb 0.00 1.30 -0.02 0.00 -0.75 0.00 0.00 64.21 64.74 2jxj n SER 103 CO 0.00 0.00 0.00 0.41 -1.23 0.00 0.00 175.04 174.22 2jxj n THR 104 N -2.60-10.38 -1.96 2.46 -1.04 -1.26 -4.90 114.28 94.60 2jxj n THR 104 Ca -0.24 2.21 -0.41 0.00 -2.04 0.00 0.00 64.05 63.57 2jxj n THR 104 Cb 0.98 -5.49 -0.02 0.00 -1.82 0.00 0.00 70.33 63.98 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 -0.46 4.38 -0.06 -4.42 2.96 -1.26 -5.00 118.68 114.82 2jxj s LEU 105 Ca -0.10 2.72 0.03 0.00 -0.22 0.00 0.00 54.13 56.57 2jxj s LEU 105 Cb 0.01 -3.62 0.01 0.00 0.50 0.00 0.00 46.19 43.08 2jxj s LEU 105 CO 0.26 -0.75 -0.14 -0.54 -1.32 0.00 0.00 176.35 173.86 2jxj s LYS 106 N -0.32 1.69 -0.64 1.98 1.02 -1.26 -5.06 119.74 117.16 2jxj s LYS 106 Ca 0.61 -0.47 -0.16 0.00 0.02 0.00 0.00 55.97 55.96 2jxj s LYS 106 Cb -0.43 -1.42 0.15 0.00 -0.52 0.00 0.00 37.83 35.61 2jxj s LYS 106 CO 0.44 0.10 0.61 0.42 -0.92 0.00 0.00 175.35 176.00 2jxj s ILE 107 N 0.42 5.27 0.17 2.17 1.09 -1.26 -5.05 121.20 124.01 2jxj s ILE 107 Ca -0.10 -1.72 -0.30 0.00 -1.10 0.00 0.00 60.65 57.42 2jxj s ILE 107 Cb -0.14 -4.40 -0.08 0.00 -1.06 0.00 0.00 42.46 36.78 2jxj s ILE 107 CO 0.03 -0.96 1.32 -2.16 -0.10 0.00 0.00 174.94 173.08 2jxj s PRO 108 N 1.34 4.37 -0.32 2.79 0.04 -1.26 -5.00 135.00 136.96 2jxj s PRO 108 Ca 0.09 2.04 -0.17 0.00 0.04 0.00 0.00 61.00 63.01 2jxj s PRO 108 Cb -0.23 -3.22 -0.02 0.00 0.04 0.00 0.00 34.50 31.08 2jxj s PRO 108 CO -0.00 -0.30 0.44 0.08 0.04 0.00 0.00 177.00 177.26 2jxj s VAL 109 N 0.43 5.10 -0.22 -0.36 1.01 -1.26 -4.08 120.40 121.01 2jxj s VAL 109 Ca 0.59 0.37 -0.06 0.00 0.00 0.00 0.00 61.98 62.88 2jxj s VAL 109 Cb -0.36 -3.85 -0.03 0.00 0.00 0.00 0.00 36.38 32.14 2jxj s VAL 109 CO 0.36 -0.07 0.04 -0.69 0.00 0.00 0.00 175.10 174.74 2jxj s VAL 110 N 2.21 4.20 -1.43 2.92 1.01 -0.26 -4.49 120.40 124.57 2jxj s VAL 110 Ca 0.16 -0.22 -0.08 0.00 0.00 0.00 0.00 61.98 61.85 2jxj s VAL 110 Cb -0.16 -2.93 0.01 0.00 0.00 0.00 0.00 36.38 33.30 2jxj s VAL 110 CO 0.12 0.39 1.00 -0.62 0.00 0.00 0.00 175.10 175.99 2jxj n GLU 111 N 4.47 -7.02 -2.40 2.72 -0.58 -1.26 -1.44 120.64 115.15 2jxj n GLU 111 Ca -0.17 0.86 -0.21 0.00 -0.42 0.00 0.00 57.16 57.23 2jxj n GLU 111 Cb 0.52 -5.86 -0.01 0.00 -0.57 0.00 0.00 31.44 25.52 2jxj n GLU 111 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 2jxj n ARG 112 N -4.71 -1.66 -3.88 3.49 3.00 -1.26 -4.98 116.66 106.66 2jxj n ARG 112 Ca -0.03 1.00 -0.11 0.00 -0.01 0.00 0.00 57.85 58.70 2jxj n ARG 112 Cb 0.58 -5.65 -0.12 0.00 0.00 0.00 0.00 32.46 27.27 2jxj n ARG 112 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.63 177.78 2jxj s LYS 113 N -5.03 0.25 0.10 5.56 1.02 -0.52 -5.14 119.74 115.98 2jxj s LYS 113 Ca 0.00 -0.18 -0.30 0.00 0.02 0.00 0.00 55.97 55.51 2jxj s LYS 113 Cb -0.00 0.10 -0.06 0.00 -0.52 0.00 0.00 37.83 37.35 2jxj s LYS 113 CO 0.00 -0.05 1.20 0.42 -0.92 0.00 0.00 175.35 176.01 2jxj s ILE 114 N -0.67 3.90 -0.24 2.17 1.09 -1.26 -1.10 121.20 125.09 2jxj s ILE 114 Ca -0.07 1.42 -0.29 0.00 -1.10 0.00 0.00 60.65 60.60 2jxj s ILE 114 Cb -0.05 -3.91 0.01 0.00 -1.06 0.00 0.00 42.46 37.46 2jxj s ILE 114 CO 0.00 0.14 1.08 -0.22 -0.10 0.00 0.00 174.94 175.84 2jxj s LEU 115 N 0.72 4.07 0.71 2.97 0.20 -1.26 -4.94 118.68 121.15 2jxj s LEU 115 Ca 0.57 1.34 -0.16 0.00 0.69 0.00 0.00 54.13 56.58 2jxj s LEU 115 Cb -0.30 -3.54 0.03 0.00 -0.43 0.00 0.00 46.19 41.94 2jxj s LEU 115 CO 0.31 -0.73 1.26 -0.62 -0.29 0.00 0.00 176.35 176.28 2jxj s ASP 116 N 1.41 4.18 0.07 3.68 -1.08 -1.26 -4.97 116.67 118.69 2jxj s ASP 116 Ca 0.46 2.52 0.00 0.00 -0.52 0.00 0.00 52.55 55.01 2jxj s ASP 116 Cb -0.15 -2.61 0.00 0.00 -1.46 0.00 0.00 42.92 38.70 2jxj s ASP 116 CO 0.09 -2.28 0.00 0.18 0.52 0.00 0.00 175.17 173.68 2jxj n LEU 117 N -2.48 0.37 -0.01 -1.34 4.32 -1.26 -4.51 117.00 112.08 2jxj n LEU 117 Ca 0.15 0.10 -0.09 0.00 -0.02 0.00 0.00 56.01 56.15 2jxj n LEU 117 Cb 0.49 -0.07 -0.03 0.00 -1.62 0.00 0.00 43.42 42.19 2jxj n LEU 117 CO 0.47 -0.41 0.79 0.22 -1.22 0.00 0.00 177.39 177.24 2jxj h TYR 118 N 0.00 -0.28 -0.21 -1.77 3.20 -1.93 0.22 116.97 116.20 2jxj h TYR 118 Ca 0.00 0.02 -0.02 0.00 3.14 0.00 0.00 58.73 61.87 2jxj h TYR 118 Cb 0.43 0.15 -0.01 0.00 1.54 0.00 0.00 36.73 38.83 2jxj h TYR 118 CO 0.00 -0.17 0.06 0.00 -1.64 0.00 0.00 178.16 176.41 2jxj h ALA 119 N 0.98 0.28 -0.89 1.82 0.00 -2.00 -2.89 119.26 116.56 2jxj h ALA 119 Ca 0.09 -0.14 0.03 0.00 0.00 0.00 0.00 54.91 54.89 2jxj h ALA 119 Cb 0.26 -0.08 -0.05 0.00 0.00 0.00 0.00 17.79 17.92 2jxj h ALA 119 CO -0.22 -0.09 0.58 1.25 0.00 0.00 0.00 179.25 180.77 2jxj h LEU 120 N 0.17 0.97 -1.12 0.00 5.85 -1.72 -2.06 115.31 117.40 2jxj h LEU 120 Ca 0.07 -0.01 0.05 0.00 0.84 0.00 0.00 57.88 58.83 2jxj h LEU 120 Cb 0.24 -0.22 -0.06 0.00 0.37 0.00 0.00 40.66 40.99 2jxj h LEU 120 CO -0.00 0.67 0.60 -1.28 -0.34 0.00 0.00 178.44 178.09 2jxj h SER 121 N 1.14 0.96 -0.48 1.25 0.87 -0.43 -2.08 113.55 114.77 2jxj h SER 121 Ca 0.35 -0.00 -0.13 0.00 -1.23 0.00 0.00 61.79 60.78 2jxj h SER 121 Cb -0.02 -0.21 -0.01 0.00 -0.44 0.00 0.00 62.40 61.71 2jxj h SER 121 CO -0.11 0.64 -0.21 0.11 -0.53 0.00 0.00 176.83 176.73 2jxj h LYS 122 N 1.10 0.99 -0.16 2.24 1.57 -1.18 -2.94 116.57 118.20 2jxj h LYS 122 Ca 0.38 -0.42 0.01 0.00 -1.87 0.00 0.00 60.65 58.75 2jxj h LYS 122 Cb 0.11 -0.03 -0.02 0.00 0.08 0.00 0.00 32.23 32.37 2jxj h LYS 122 CO -0.13 1.10 0.06 0.82 -0.57 0.00 0.00 179.45 180.73 2jxj h ILE 123 N 0.85 0.97 -0.12 1.86 2.04 -0.92 0.50 117.51 122.69 2jxj h ILE 123 Ca 0.11 -0.05 0.03 0.00 1.00 0.00 0.00 64.86 65.95 2jxj h ILE 123 Cb 0.79 0.82 -0.03 0.00 -0.74 0.00 0.00 36.82 37.66 2jxj h ILE 123 CO 0.07 0.03 -0.05 0.58 0.00 0.00 0.00 178.15 178.77 2jxj h VAL 124 N 0.14 0.84 -0.62 1.67 2.07 -1.44 -2.48 116.25 116.43 2jxj h VAL 124 Ca 0.07 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.57 2jxj h VAL 124 Cb 0.03 0.84 -0.03 0.00 -1.52 0.00 0.00 31.29 30.61 2jxj h VAL 124 CO -0.06 0.00 0.34 0.00 0.02 0.00 0.00 177.57 177.86 2jxj h ALA 125 N 1.08 0.79 -0.16 1.67 0.00 -1.35 -1.85 119.26 119.46 2jxj h ALA 125 Ca 0.06 -0.10 0.05 0.00 0.00 0.00 0.00 54.91 54.91 2jxj h ALA 125 Cb 0.12 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 2jxj h ALA 125 CO -0.14 0.31 0.20 0.66 0.00 0.00 0.00 179.25 180.28 2jxj h SER 126 N 0.84 0.00 1.26 0.00 4.64 -0.54 0.16 113.55 119.91 2jxj h SER 126 Ca 0.22 0.00 -0.10 0.00 -0.47 0.00 0.00 61.79 61.44 2jxj h SER 126 Cb 0.04 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.12 2jxj h SER 126 CO -0.03 0.00 -0.78 0.11 -0.87 0.00 0.00 176.83 175.26 2jxj h LYS 127 N 0.00 0.00 0.00 4.77 1.57 -0.92 -3.47 116.57 118.52 2jxj h LYS 127 Ca 0.07 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.85 2jxj h LYS 127 Cb 0.47 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.78 2jxj h LYS 127 CO -0.00 0.33 0.00 0.41 -0.57 0.00 0.00 179.45 179.62 2jxj n GLY 128 N 1.26 0.55 0.00 3.86 0.00 0.56 -4.71 105.19 106.71 2jxj n GLY 128 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.01 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 2.73 0.14 -0.02 0.00 -0.86 -4.90 105.19 102.28 2jxj n GLY 129 Ca 0.00 -0.38 0.00 0.00 0.00 0.00 0.00 46.02 45.64 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 -1.50 -0.30 1.61 -0.00 -1.26 -4.10 117.46 111.91 2jxj n PHE 130 Ca 0.00 0.06 0.02 0.00 -0.00 0.00 0.00 57.45 57.53 2jxj n PHE 130 Cb 0.00 0.42 0.22 0.00 -0.00 0.00 0.00 39.48 40.12 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 1.05 -0.48 -4.13 4.39 -1.94 -1.34 114.58 112.13 2jxj h GLU 131 Ca 0.00 -0.06 -0.01 0.00 0.34 0.00 0.00 59.36 59.63 2jxj h GLU 131 Cb 0.00 -0.24 -0.02 0.00 -0.10 0.00 0.00 28.75 28.39 2jxj h GLU 131 CO 0.00 0.69 0.26 0.52 -1.16 0.00 0.00 179.01 179.32 2jxj h MET 132 N 1.08 0.66 -0.38 2.33 2.86 -1.90 0.26 114.93 119.84 2jxj h MET 132 Ca 0.36 -0.06 -0.08 0.00 -2.06 0.00 0.00 59.70 57.87 2jxj h MET 132 Cb 0.08 -0.14 -0.01 0.00 0.06 0.00 0.00 31.60 31.59 2jxj h MET 132 CO -0.12 0.49 -0.06 0.28 1.06 0.00 0.00 176.91 178.56 2jxj h VAL 133 N 0.66 1.27 -0.18 -2.22 2.07 -1.53 -1.41 116.25 114.91 2jxj h VAL 133 Ca 0.17 -1.11 -0.07 0.00 0.82 0.00 0.00 66.70 66.51 2jxj h VAL 133 Cb 0.02 1.23 -0.00 0.00 -1.52 0.00 0.00 31.29 31.02 2jxj h VAL 133 CO -0.03 0.37 -0.17 0.74 0.02 0.00 0.00 177.57 178.50 2jxj h THR 134 N 0.52 1.33 -0.24 2.57 2.02 -1.13 0.35 112.91 118.33 2jxj h THR 134 Ca 0.10 -1.33 -0.02 0.00 0.77 0.00 0.00 66.41 65.93 2jxj h THR 134 Cb 0.56 1.79 -0.01 0.00 -1.74 0.00 0.00 68.15 68.75 2jxj h THR 134 CO 0.03 0.40 0.06 0.11 0.37 0.00 0.00 175.52 176.49 2jxj h LYS 135 N 0.10 0.34 0.00 6.66 1.57 -0.96 -1.85 116.57 122.43 2jxj h LYS 135 Ca 0.03 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.77 2jxj h LYS 135 Cb 0.71 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 32.95 2jxj h LYS 135 CO 0.04 0.31 -0.85 0.39 -0.57 0.00 0.00 179.45 178.77 2jxj n GLU 136 N -4.40 0.22 -2.44 3.15 1.02 -0.53 -4.96 120.64 112.69 2jxj n GLU 136 Ca 0.01 0.01 -0.15 0.00 -0.02 0.00 0.00 57.16 57.01 2jxj n GLU 136 Cb 0.15 -1.59 0.00 0.00 -0.02 0.00 0.00 31.44 29.98 2jxj n GLU 136 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 2jxj n LYS 137 N -1.88 -1.88 0.09 3.49 5.02 0.10 -4.89 118.16 118.22 2jxj n LYS 137 Ca 0.03 0.68 0.13 0.00 -2.02 0.00 0.00 58.31 57.12 2jxj n LYS 137 Cb 0.41 -4.97 0.45 0.00 -0.02 0.00 0.00 35.03 30.91 2jxj n LYS 137 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 2jxj n LYS 138 N -2.59 0.19 -0.32 1.97 4.76 0.01 -3.53 118.16 118.66 2jxj n LYS 138 Ca -0.14 0.24 0.12 0.00 -2.87 0.00 0.00 58.31 55.66 2jxj n LYS 138 Cb 0.61 -1.76 0.34 0.00 -1.84 0.00 0.00 35.03 32.38 2jxj n LYS 138 CO 0.00 0.00 0.00 -1.49 -1.37 0.00 0.00 177.40 174.54 2jxj h TRP 139 N 0.00 0.95 -0.70 2.13 4.06 -1.91 0.06 115.95 120.55 2jxj h TRP 139 Ca 0.00 0.03 -0.06 0.00 2.06 0.00 0.00 58.89 60.92 2jxj h TRP 139 Cb 0.58 -0.30 -0.03 0.00 -1.00 0.00 0.00 29.16 28.41 2jxj h TRP 139 CO 0.00 0.30 0.20 0.77 -3.56 0.00 0.00 178.44 176.16 2jxj h SER 140 N 0.76 1.04 0.10 -3.49 0.02 -1.87 -2.61 113.55 107.50 2jxj h SER 140 Ca 0.51 -0.22 -0.10 0.00 -0.84 0.00 0.00 61.79 61.14 2jxj h SER 140 Cb 0.77 -0.27 -0.01 0.00 0.14 0.00 0.00 62.40 63.03 2jxj h SER 140 CO -0.27 0.98 -0.34 0.11 -1.14 0.00 0.00 176.83 176.17 2jxj h LYS 141 N 1.04 0.35 -0.14 3.45 1.79 -1.25 -3.02 116.57 118.79 2jxj h LYS 141 Ca 0.22 -0.15 0.00 0.00 -2.18 0.00 0.00 60.65 58.55 2jxj h LYS 141 Cb 0.33 -0.01 -0.01 0.00 -1.58 0.00 0.00 32.23 30.96 2jxj h LYS 141 CO -0.00 0.65 0.09 0.28 -1.08 0.00 0.00 179.45 179.38 2jxj h VAL 142 N 0.30 1.05 -0.92 0.50 2.07 -0.83 -1.29 116.25 117.13 2jxj h VAL 142 Ca 0.04 -0.12 0.01 0.00 0.82 0.00 0.00 66.70 67.45 2jxj h VAL 142 Cb 0.74 0.88 -0.05 0.00 -1.52 0.00 0.00 31.29 31.35 2jxj h VAL 142 CO 0.06 0.05 0.61 1.23 0.02 0.00 0.00 177.57 179.53 2jxj h GLY 143 N 0.17 1.30 1.39 2.17 0.00 -1.43 -2.22 103.07 104.44 2jxj h GLY 143 Ca 0.05 -0.49 -0.10 0.00 0.00 0.00 0.00 47.33 46.79 2jxj h GLY 143 CO -0.01 0.48 -0.18 1.76 0.00 0.00 0.00 176.54 178.59 2jxj h SER 144 N 1.25 0.72 -0.28 0.19 0.02 -1.37 -2.73 113.55 111.35 2jxj h SER 144 Ca 0.34 -0.23 -0.03 0.00 -0.84 0.00 0.00 61.79 61.02 2jxj h SER 144 Cb -0.14 -0.19 -0.02 0.00 0.14 0.00 0.00 62.40 62.19 2jxj h SER 144 CO -0.07 0.90 0.10 0.03 -1.14 0.00 0.00 176.83 176.64 2jxj h ARG 145 N 0.64 0.51 0.47 3.45 2.47 -0.64 -3.12 114.38 118.16 2jxj h ARG 145 Ca 0.10 -0.07 -0.02 0.00 -1.26 0.00 0.00 59.98 58.72 2jxj h ARG 145 Cb 0.65 -0.09 0.00 0.00 -1.65 0.00 0.00 29.97 28.89 2jxj h ARG 145 CO 0.05 0.46 -0.23 -0.07 0.56 0.00 0.00 179.97 180.74 2jxj h LEU 146 N 0.50 -0.54 0.00 3.04 -0.00 -1.18 -3.48 115.31 113.65 2jxj h LEU 146 Ca 0.12 -0.06 0.00 0.00 -0.00 0.00 0.00 57.88 57.94 2jxj h LEU 146 Cb 0.17 0.14 0.00 0.00 -0.00 0.00 0.00 40.66 40.97 2jxj h LEU 146 CO -0.01 -0.13 0.00 0.61 -0.00 0.00 0.00 178.44 178.92 2jxj n GLY 147 N -0.13 0.00 3.99 0.83 0.00 -1.08 -5.14 105.19 103.66 2jxj n GLY 147 Ca -0.09 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.69 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 1.76 0.18 1.61 1.51 -1.15 -5.06 117.35 116.20 2jxj s TYR 148 Ca 0.00 -0.22 0.11 0.00 -1.01 0.00 0.00 57.07 55.95 2jxj s TYR 148 Cb 0.00 -2.99 -0.04 0.00 -0.11 0.00 0.00 41.96 38.82 2jxj s TYR 148 CO 0.00 -1.63 -0.23 -0.51 -1.11 0.00 0.00 175.55 172.07 2jxj s LEU 149 N -5.12 2.42 -0.66 -1.29 1.43 -1.26 -4.91 118.68 109.30 2jxj s LEU 149 Ca 0.65 -0.86 -0.26 0.00 -1.03 0.00 0.00 54.13 52.63 2jxj s LEU 149 Cb -0.06 -1.11 -0.02 0.00 0.03 0.00 0.00 46.19 45.03 2jxj s LEU 149 CO 0.44 0.10 1.82 -2.16 0.23 0.00 0.00 176.35 176.78 2jxj s PRO 150 N -2.63 2.67 0.00 1.29 0.04 -1.26 -4.91 135.00 130.20 2jxj s PRO 150 Ca 0.19 0.43 0.00 0.00 0.04 0.00 0.00 61.00 61.66 2jxj s PRO 150 Cb -0.08 -4.46 0.00 0.00 0.04 0.00 0.00 34.50 30.01 2jxj s PRO 150 CO 0.09 -2.76 0.00 0.41 0.04 0.00 0.00 177.00 174.78 2jxj n GLY 151 N 5.82 5.61 3.56 0.56 0.00 -1.26 -5.09 105.19 114.39 2jxj n GLY 151 Ca 0.21 -1.56 -0.42 0.00 0.00 0.00 0.00 46.02 44.26 2jxj n GLY 151 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2jxj s LYS 152 N 0.78 3.33 0.34 1.61 1.02 -1.26 -4.75 119.74 120.81 2jxj s LYS 152 Ca 0.00 -0.01 0.00 0.00 0.02 0.00 0.00 55.97 55.98 2jxj s LYS 152 Cb 0.00 -4.11 0.00 0.00 -0.52 0.00 0.00 37.83 33.20 2jxj s LYS 152 CO 0.00 -1.95 0.00 0.41 -0.92 0.00 0.00 175.35 172.89 2jxj n GLY 153 N 5.24 -4.38 1.26 -3.33 0.00 -1.26 -5.06 105.19 97.66 2jxj n GLY 153 Ca 0.06 -0.71 0.00 0.00 0.00 0.00 0.00 46.02 45.37 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 -0.39 0.00 -0.23 2.61 -1.04 -1.26 -4.92 114.28 109.05 2jxj n THR 154 Ca 0.00 0.00 -0.07 0.00 -2.04 0.00 0.00 64.05 61.94 2jxj n THR 154 Cb 0.00 -0.00 0.04 0.00 -1.82 0.00 0.00 70.33 68.54 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 1.05 1.76 3.41 0.00 -1.90 -2.58 103.07 104.81 2jxj h GLY 155 Ca 0.00 -0.60 -0.05 0.00 0.00 0.00 0.00 47.33 46.68 2jxj h GLY 155 CO 0.00 0.56 -0.12 1.76 0.00 0.00 0.00 176.54 178.74 2jxj h SER 156 N 0.92 0.28 -0.27 0.19 0.02 -1.93 -2.58 113.55 110.19 2jxj h SER 156 Ca 0.21 -0.06 -0.03 0.00 -0.84 0.00 0.00 61.79 61.07 2jxj h SER 156 Cb 0.25 -0.07 -0.01 0.00 0.14 0.00 0.00 62.40 62.70 2jxj h SER 156 CO -0.01 0.43 0.04 -0.07 -1.14 0.00 0.00 176.83 176.08 2jxj h LEU 157 N 0.28 0.43 -0.75 5.07 3.38 -1.82 -1.14 115.31 120.76 2jxj h LEU 157 Ca 0.06 -0.26 0.00 0.00 0.09 0.00 0.00 57.88 57.76 2jxj h LEU 157 Cb 0.39 -0.11 -0.04 0.00 0.09 0.00 0.00 40.66 40.99 2jxj h LEU 157 CO 0.02 0.59 0.47 -0.07 0.09 0.00 0.00 178.44 179.54 2jxj h LEU 158 N 0.26 0.88 -0.61 1.67 3.38 -1.23 0.39 115.31 120.05 2jxj h LEU 158 Ca 0.08 -0.05 -0.08 0.00 0.09 0.00 0.00 57.88 57.93 2jxj h LEU 158 Cb 0.34 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.85 2jxj h LEU 158 CO 0.01 0.66 0.08 0.50 0.09 0.00 0.00 178.44 179.78 2jxj h LYS 159 N 1.02 1.02 -0.52 1.13 3.11 -1.35 0.25 116.57 121.22 2jxj h LYS 159 Ca 0.27 -0.28 -0.10 0.00 -2.81 0.00 0.00 60.65 57.72 2jxj h LYS 159 Cb -0.07 -0.11 -0.02 0.00 -1.00 0.00 0.00 32.23 31.03 2jxj h LYS 159 CO -0.05 0.96 -0.08 0.77 -2.81 0.00 0.00 179.45 178.24 2jxj h SER 160 N 0.92 0.97 -0.10 4.20 0.02 -0.78 -1.10 113.55 117.68 2jxj h SER 160 Ca 0.18 -0.34 -0.08 0.00 -0.84 0.00 0.00 61.79 60.71 2jxj h SER 160 Cb 0.45 -0.26 0.00 0.00 0.14 0.00 0.00 62.40 62.73 2jxj h SER 160 CO 0.01 1.08 -0.25 0.45 -1.14 0.00 0.00 176.83 176.98 2jxj h HIS 161 N 0.84 0.45 -0.23 3.45 3.86 -0.77 -3.28 115.15 119.46 2jxj h HIS 161 Ca 0.14 -0.17 0.01 0.00 -1.16 0.00 0.00 60.37 59.19 2jxj h HIS 161 Cb 0.63 -0.08 -0.02 0.00 1.06 0.00 0.00 27.41 29.01 2jxj h HIS 161 CO 0.05 0.87 0.12 -0.92 0.86 0.00 0.00 177.93 178.90 2jxj h TYR 162 N -0.10 0.22 -0.86 2.45 3.20 -0.50 -2.90 116.97 118.47 2jxj h TYR 162 Ca -0.00 0.01 -0.58 0.00 3.14 0.00 0.00 58.73 61.30 2jxj h TYR 162 Cb 0.86 -0.07 -0.12 0.00 1.54 0.00 0.00 36.73 38.95 2jxj h TYR 162 CO 0.11 0.13 1.49 -1.91 -1.64 0.00 0.00 178.16 176.34 2jxj n GLU 163 N -4.98 3.38 0.00 1.82 2.13 -0.42 -0.58 120.64 121.99 2jxj n GLU 163 Ca -0.02 -2.62 0.00 0.00 0.66 0.00 0.00 57.16 55.18 2jxj n GLU 163 Cb 0.06 -2.39 0.00 0.00 0.27 0.00 0.00 31.44 29.37 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 1.70 0.00 0.00 5.31 0.63 -1.10 -4.90 116.66 118.31 2jxj n ARG 164 Ca 0.57 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 57.50 2jxj n ARG 164 Cb 0.44 -0.24 0.00 0.00 0.45 0.00 0.00 32.46 33.11 2jxj n ARG 164 CO 0.00 0.00 0.00 -0.89 -2.51 0.00 0.00 177.63 174.23 2jxj n ILE 165 N -1.89 0.00 0.05 5.15 -0.00 -1.24 -4.76 119.36 116.67 2jxj n ILE 165 Ca 0.00 0.00 -0.02 0.00 -0.00 0.00 0.00 62.75 62.73 2jxj n ILE 165 Cb 0.00 -0.41 -0.01 0.00 -0.00 0.00 0.00 39.64 39.22 2jxj n ILE 165 CO 0.00 0.00 0.00 0.25 -0.00 0.00 0.00 176.55 176.80 2jxj h LEU 166 N 0.00 -0.12 -0.37 1.39 6.46 -1.75 -2.96 115.31 117.96 2jxj h LEU 166 Ca 0.00 0.00 0.08 0.00 -0.12 0.00 0.00 57.88 57.84 2jxj h LEU 166 Cb 0.43 0.03 -0.09 0.00 -0.73 0.00 0.00 40.66 40.30 2jxj h LEU 166 CO 0.00 -0.04 -0.33 0.22 -0.62 0.00 0.00 178.44 177.67 2jxj h TYR 167 N -0.24 -0.92 -0.28 1.25 3.20 -1.17 0.40 116.97 119.23 2jxj h TYR 167 Ca -0.01 0.06 0.08 0.00 3.14 0.00 0.00 58.73 61.99 2jxj h TYR 167 Cb 0.11 0.46 -0.01 0.00 1.54 0.00 0.00 36.73 38.82 2jxj h TYR 167 CO 0.09 -0.39 0.32 -1.00 -1.64 0.00 0.00 178.16 175.55 2jxj h PRO 168 N -0.27 0.00 0.12 1.82 0.13 -1.78 -2.29 132.00 129.74 2jxj h PRO 168 Ca 0.16 0.00 0.01 0.00 -0.87 0.00 0.00 66.00 65.31 2jxj h PRO 168 Cb 0.54 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.65 2jxj h PRO 168 CO -0.52 0.00 -0.19 -0.92 -0.23 0.00 0.00 178.00 176.14 2jxj h TYR 169 N 0.00 -0.49 -0.05 1.56 3.20 -0.73 0.30 116.97 120.76 2jxj h TYR 169 Ca 0.13 0.01 0.01 0.00 3.14 0.00 0.00 58.73 62.02 2jxj h TYR 169 Cb 0.77 0.20 -0.01 0.00 1.54 0.00 0.00 36.73 39.23 2jxj h TYR 169 CO 0.00 -0.28 -0.02 0.93 -1.64 0.00 0.00 178.16 177.15 2jxj h GLU 170 N -0.37 -0.01 -1.01 1.82 3.07 -1.46 -2.39 114.58 114.23 2jxj h GLU 170 Ca 0.02 0.00 0.03 0.00 -0.50 0.00 0.00 59.36 58.91 2jxj h GLU 170 Cb 0.38 0.00 -0.06 0.00 -0.84 0.00 0.00 28.75 28.24 2jxj h GLU 170 CO -0.09 -0.01 0.66 -0.07 -1.40 0.00 0.00 179.01 178.10 2jxj h LEU 171 N -0.01 1.11 -1.28 1.33 3.38 -1.49 0.48 115.31 118.83 2jxj h LEU 171 Ca 0.03 -0.01 0.04 0.00 0.09 0.00 0.00 57.88 58.02 2jxj h LEU 171 Cb 0.05 -0.26 -0.04 0.00 0.09 0.00 0.00 40.66 40.50 2jxj h LEU 171 CO -0.06 0.77 0.51 0.15 0.09 0.00 0.00 178.44 179.89 2jxj h PHE 172 N 1.29 0.90 0.14 1.13 3.04 0.03 0.95 116.94 124.42 2jxj h PHE 172 Ca 0.40 0.02 -0.28 0.00 3.98 0.00 0.00 57.97 62.09 2jxj h PHE 172 Cb -0.02 -0.30 0.00 0.00 2.56 0.00 0.00 35.95 38.19 2jxj h PHE 172 CO -0.00 0.52 -1.41 1.96 -2.02 0.00 0.00 178.31 177.36 2jxj h GLN 173 N 0.93 0.29 -1.01 1.11 4.20 -0.86 -3.34 115.11 116.43 2jxj h GLN 173 Ca 0.31 -0.49 -0.45 0.00 0.06 0.00 0.00 58.65 58.07 2jxj h GLN 173 Cb 0.07 0.18 -0.27 0.00 0.30 0.00 0.00 27.48 27.77 2jxj h GLN 173 CO -0.09 1.24 0.58 0.43 -0.67 0.00 0.00 178.83 180.31 2jxj n SER 174 N -3.88 3.85 0.00 1.46 7.64 0.16 -5.12 113.62 117.73 2jxj n SER 174 Ca -0.23 -3.39 0.00 0.00 1.01 0.00 0.00 58.87 56.25 2jxj n SER 174 Cb 0.93 -0.80 0.00 0.00 -1.01 0.00 0.00 64.21 63.33 2jxj n SER 174 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64