#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 2.89 -0.33 1.61 0.04 -1.26 -4.96 135.00 133.00 2jxj s PRO 81 Ca 0.00 0.66 -0.00 0.00 0.04 0.00 0.00 61.00 61.69 2jxj s PRO 81 Cb 0.00 -4.30 0.07 0.00 0.04 0.00 0.00 34.50 30.32 2jxj s PRO 81 CO 0.00 -2.42 0.04 -0.51 0.04 0.00 0.00 177.00 174.15 2jxj s LEU 82 N 8.00 4.32 0.00 -3.56 1.43 -1.26 -4.85 118.68 122.75 2jxj s LEU 82 Ca 0.65 -1.63 0.00 0.00 -1.03 0.00 0.00 54.13 52.11 2jxj s LEU 82 Cb -0.13 -1.70 0.00 0.00 0.03 0.00 0.00 46.19 44.38 2jxj s LEU 82 CO 0.23 -0.34 0.00 0.61 0.23 0.00 0.00 176.35 177.08 2jxj n GLY 83 N 4.52 -0.77 2.19 -3.19 0.00 -1.26 -4.98 105.19 101.70 2jxj n GLY 83 Ca -0.08 0.51 -0.29 0.00 0.00 0.00 0.00 46.02 46.17 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 5.99 0.05 1.61 3.41 -1.26 -4.63 113.62 118.78 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 -0.86 -0.09 0.00 -0.26 0.00 0.00 64.21 63.00 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 1.67 -0.11 -0.63 4.33 2.47 -1.94 -0.45 114.38 119.72 2jxj h ARG 85 Ca 0.57 0.01 -0.04 0.00 -1.26 0.00 0.00 59.98 59.25 2jxj h ARG 85 Cb 1.51 0.02 -0.03 0.00 -1.65 0.00 0.00 29.97 29.83 2jxj h ARG 85 CO 1.30 0.20 0.22 -0.39 0.56 0.00 0.00 179.97 181.87 2jxj h VAL 86 N -0.42 1.23 -0.09 2.04 -1.51 -1.99 -1.53 116.25 113.97 2jxj h VAL 86 Ca -0.01 -0.76 -0.02 0.00 -1.23 0.00 0.00 66.70 64.69 2jxj h VAL 86 Cb 0.36 0.51 -0.00 0.00 -2.13 0.00 0.00 31.29 30.02 2jxj h VAL 86 CO 0.02 0.30 -0.01 -0.09 -1.23 0.00 0.00 177.57 176.56 2jxj h ARG 87 N 0.92 0.17 -0.79 5.19 2.43 -1.87 -2.72 114.38 117.70 2jxj h ARG 87 Ca 0.21 -0.06 0.01 0.00 -0.81 0.00 0.00 59.98 59.34 2jxj h ARG 87 Cb 0.22 -0.01 -0.04 0.00 -0.42 0.00 0.00 29.97 29.72 2jxj h ARG 87 CO -0.01 0.45 0.52 1.25 -1.51 0.00 0.00 179.97 180.66 2jxj h LEU 88 N -0.13 0.89 -1.14 3.80 6.46 -0.92 -2.17 115.31 122.09 2jxj h LEU 88 Ca 0.02 -0.02 0.05 0.00 -0.12 0.00 0.00 57.88 57.82 2jxj h LEU 88 Cb 0.38 -0.22 -0.06 0.00 -0.73 0.00 0.00 40.66 40.03 2jxj h LEU 88 CO 0.01 0.64 0.59 0.44 -0.62 0.00 0.00 178.44 179.50 2jxj h ASP 89 N 1.06 0.93 -0.78 1.25 5.19 -1.22 -1.83 116.42 121.01 2jxj h ASP 89 Ca 0.30 -0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.71 2jxj h ASP 89 Cb -0.10 -0.20 -0.04 0.00 0.18 0.00 0.00 39.33 39.17 2jxj h ASP 89 CO -0.07 0.61 0.49 0.15 -3.12 0.00 0.00 179.24 177.30 2jxj h PHE 90 N 1.07 1.01 -0.20 4.55 3.04 -1.07 -2.06 116.94 123.28 2jxj h PHE 90 Ca 0.38 0.01 -0.07 0.00 3.98 0.00 0.00 57.97 62.27 2jxj h PHE 90 Cb 0.13 -0.34 -0.01 0.00 2.56 0.00 0.00 35.95 38.29 2jxj h PHE 90 CO -0.00 0.66 -0.18 -0.07 -2.02 0.00 0.00 178.31 176.70 2jxj h LEU 91 N 1.07 0.34 -0.60 0.59 4.07 -1.19 -2.27 115.31 117.31 2jxj h LEU 91 Ca 0.28 -0.09 -0.00 0.00 0.08 0.00 0.00 57.88 58.15 2jxj h LEU 91 Cb -0.07 -0.09 -0.03 0.00 1.08 0.00 0.00 40.66 41.55 2jxj h LEU 91 CO -0.06 0.53 0.36 -0.78 -1.08 0.00 0.00 178.44 177.42 2jxj h ASP 92 N 0.32 0.73 -0.13 -0.43 3.58 -0.83 0.30 116.42 119.96 2jxj h ASP 92 Ca 0.06 -0.06 -0.04 0.00 0.42 0.00 0.00 57.03 57.41 2jxj h ASP 92 Cb 0.50 -0.18 -0.00 0.00 1.72 0.00 0.00 39.33 41.36 2jxj h ASP 92 CO 0.03 0.58 -0.06 1.56 -2.88 0.00 0.00 179.24 178.47 2jxj h GLN 93 N 0.81 0.27 -0.76 0.28 1.08 -1.24 -0.46 115.11 115.09 2jxj h GLN 93 Ca 0.22 -0.12 -0.03 0.00 -1.45 0.00 0.00 58.65 57.27 2jxj h GLN 93 Cb -0.01 -0.01 -0.03 0.00 -0.05 0.00 0.00 27.48 27.37 2jxj h GLN 93 CO -0.04 0.60 0.34 1.25 -0.95 0.00 0.00 178.83 180.03 2jxj h LEU 94 N -0.08 1.00 -0.16 1.46 6.46 -1.26 0.38 115.31 123.12 2jxj h LEU 94 Ca 0.03 -0.13 -0.06 0.00 -0.12 0.00 0.00 57.88 57.60 2jxj h LEU 94 Cb 0.52 -0.26 -0.00 0.00 -0.73 0.00 0.00 40.66 40.19 2jxj h LEU 94 CO 0.02 0.87 -0.15 0.00 -0.62 0.00 0.00 178.44 178.56 2jxj h ALA 95 N 1.28 0.23 -0.17 1.25 0.00 -0.36 -1.74 119.26 119.75 2jxj h ALA 95 Ca 0.26 -0.32 -0.15 0.00 0.00 0.00 0.00 54.91 54.69 2jxj h ALA 95 Cb 0.15 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 2jxj h ALA 95 CO -0.03 0.11 -0.53 0.87 0.00 0.00 0.00 179.25 179.67 2jxj h LYS 96 N 0.01 0.49 -0.05 0.00 1.79 -0.92 -1.71 116.57 116.18 2jxj h LYS 96 Ca 0.03 -0.30 -0.01 0.00 -2.18 0.00 0.00 60.65 58.19 2jxj h LYS 96 Cb 0.67 0.03 -0.00 0.00 -1.58 0.00 0.00 32.23 31.35 2jxj h LYS 96 CO 0.04 0.90 -0.01 0.35 -1.08 0.00 0.00 179.45 179.65 2jxj h PHE 97 N 0.38 0.11 -0.39 -1.35 3.04 -0.26 -2.96 116.94 115.51 2jxj h PHE 97 Ca 0.01 -0.02 -0.08 0.00 3.98 0.00 0.00 57.97 61.85 2jxj h PHE 97 Cb 1.06 -0.03 -0.02 0.00 2.56 0.00 0.00 35.95 39.52 2jxj h PHE 97 CO 0.04 0.42 -0.10 -1.49 -2.02 0.00 0.00 178.31 175.16 2jxj h TRP 98 N -0.23 0.74 -0.96 0.41 4.06 -1.35 -2.87 115.95 115.75 2jxj h TRP 98 Ca 0.01 -0.12 0.10 0.00 2.06 0.00 0.00 58.89 60.94 2jxj h TRP 98 Cb 0.38 -0.19 -0.08 0.00 -1.00 0.00 0.00 29.16 28.27 2jxj h TRP 98 CO 0.05 0.76 0.60 1.49 -3.56 0.00 0.00 178.44 177.78 2jxj h GLU 99 N 0.62 0.98 -0.16 0.49 4.81 -1.26 0.42 114.58 120.49 2jxj h GLU 99 Ca 0.11 -0.06 0.03 0.00 -0.13 0.00 0.00 59.36 59.31 2jxj h GLU 99 Cb 0.54 -0.22 -0.01 0.00 0.63 0.00 0.00 28.75 29.69 2jxj h GLU 99 CO 0.03 0.65 0.11 -0.07 -0.73 0.00 0.00 179.01 179.01 2jxj h LEU 100 N 1.01 0.08 0.00 1.64 3.38 -1.34 -2.23 115.31 117.86 2jxj h LEU 100 Ca 0.45 -0.00 -0.15 0.00 0.09 0.00 0.00 57.88 58.27 2jxj h LEU 100 Cb 0.35 -0.02 0.01 0.00 0.09 0.00 0.00 40.66 41.10 2jxj h LEU 100 CO -0.23 0.06 -0.59 1.56 0.09 0.00 0.00 178.44 179.32 2jxj h GLN 101 N 0.09 0.40 0.00 1.13 7.50 -1.01 -3.48 115.11 119.75 2jxj h GLN 101 Ca 0.07 -0.43 0.00 0.00 0.50 0.00 0.00 58.65 58.79 2jxj h GLN 101 Cb 0.17 0.12 0.00 0.00 0.05 0.00 0.00 27.48 27.82 2jxj h GLN 101 CO -0.01 1.10 0.00 0.41 -1.50 0.00 0.00 178.83 178.83 2jxj n GLY 102 N 1.09 0.54 0.00 3.46 0.00 -0.77 -5.15 105.19 104.36 2jxj n GLY 102 Ca -0.10 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.92 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 0.00 -3.67 1.61 2.88 -1.11 -4.95 113.62 108.37 2jxj n SER 103 Ca 0.00 -0.18 -0.14 0.00 -1.33 0.00 0.00 58.87 57.22 2jxj n SER 103 Cb 0.00 0.00 -0.08 0.00 -0.75 0.00 0.00 64.21 63.38 2jxj n SER 103 CO 0.00 0.00 0.00 0.42 -1.23 0.00 0.00 175.04 174.23 2jxj s THR 104 N 1.30 0.00 0.07 2.46 -4.23 -1.26 -3.45 115.64 110.53 2jxj s THR 104 Ca 0.00 -0.02 -0.31 0.00 -1.18 0.00 0.00 61.69 60.18 2jxj s THR 104 Cb 0.00 -0.79 -0.09 0.00 1.34 0.00 0.00 72.50 72.96 2jxj s THR 104 CO 0.00 -0.01 1.75 -0.22 -0.54 0.00 0.00 174.62 175.60 2jxj s LEU 105 N 0.12 4.38 -0.05 4.79 0.20 -1.26 -4.99 118.68 121.87 2jxj s LEU 105 Ca -0.01 2.58 0.03 0.00 0.69 0.00 0.00 54.13 57.42 2jxj s LEU 105 Cb -0.04 -3.56 0.01 0.00 -0.43 0.00 0.00 46.19 42.17 2jxj s LEU 105 CO 0.02 -0.95 -0.14 -0.75 -0.29 0.00 0.00 176.35 174.24 2jxj s LYS 106 N 2.99 1.66 -0.79 1.98 2.20 -1.26 -4.99 119.74 121.53 2jxj s LYS 106 Ca 0.78 -0.47 0.00 0.00 -0.36 0.00 0.00 55.97 55.92 2jxj s LYS 106 Cb -0.42 -1.40 0.19 0.00 -1.51 0.00 0.00 37.83 34.69 2jxj s LYS 106 CO 0.35 0.11 0.64 0.42 -0.36 0.00 0.00 175.35 176.50 2jxj s ILE 107 N 0.39 3.77 0.58 5.43 1.09 -1.26 -5.06 121.20 126.14 2jxj s ILE 107 Ca -0.10 -3.88 -0.19 0.00 -1.10 0.00 0.00 60.65 55.38 2jxj s ILE 107 Cb -0.13 -3.39 -0.06 0.00 -1.06 0.00 0.00 42.46 37.81 2jxj s ILE 107 CO 0.03 -1.03 0.88 -2.65 -0.10 0.00 0.00 174.94 172.07 2jxj n PRO 108 N 2.37 0.85 -3.41 2.79 -0.02 -1.26 -4.91 135.00 131.40 2jxj n PRO 108 Ca 0.19 0.33 -0.39 0.00 -2.02 0.00 0.00 63.50 61.60 2jxj n PRO 108 Cb 0.36 -2.06 -0.09 0.00 -0.02 0.00 0.00 33.50 31.69 2jxj n PRO 108 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 2jxj s VAL 109 N -1.54 5.19 -0.20 -1.45 1.01 -1.26 -4.33 120.40 117.81 2jxj s VAL 109 Ca 0.73 0.43 -0.06 0.00 0.00 0.00 0.00 61.98 63.08 2jxj s VAL 109 Cb -0.43 -3.70 -0.03 0.00 0.00 0.00 0.00 36.38 32.21 2jxj s VAL 109 CO 0.49 0.12 0.03 -0.69 0.00 0.00 0.00 175.10 175.05 2jxj s VAL 110 N 2.03 4.22 -1.44 2.92 1.01 -0.21 -4.49 120.40 124.44 2jxj s VAL 110 Ca 0.14 -0.22 -0.07 0.00 0.00 0.00 0.00 61.98 61.82 2jxj s VAL 110 Cb -0.16 -2.92 0.01 0.00 0.00 0.00 0.00 36.38 33.31 2jxj s VAL 110 CO 0.10 0.42 0.97 -0.62 0.00 0.00 0.00 175.10 175.97 2jxj n GLU 111 N 4.19 -6.83 -2.59 2.72 -0.58 -1.26 -1.52 120.64 114.76 2jxj n GLU 111 Ca -0.17 0.87 -0.21 0.00 -0.42 0.00 0.00 57.16 57.22 2jxj n GLU 111 Cb 0.52 -5.85 0.00 0.00 -0.57 0.00 0.00 31.44 25.54 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 -4.65 -2.66 -3.79 3.49 1.74 -1.26 -4.98 116.66 104.55 2jxj n ARG 112 Ca -0.04 0.98 -0.13 0.00 -0.77 0.00 0.00 57.85 57.90 2jxj n ARG 112 Cb 0.58 -5.70 -0.10 0.00 -1.02 0.00 0.00 32.46 26.22 2jxj n ARG 112 CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 2jxj s LYS 113 N -5.24 0.43 -0.14 5.56 -0.14 -0.58 -5.13 119.74 114.50 2jxj s LYS 113 Ca 0.09 0.12 -0.29 0.00 -1.36 0.00 0.00 55.97 54.53 2jxj s LYS 113 Cb -0.04 0.20 -0.01 0.00 -1.68 0.00 0.00 37.83 36.29 2jxj s LYS 113 CO 0.11 -0.08 1.09 0.42 -0.76 0.00 0.00 175.35 176.13 2jxj s ILE 114 N -0.45 4.57 0.12 2.17 1.01 -1.26 -1.04 121.20 126.32 2jxj s ILE 114 Ca -0.06 1.87 -0.28 0.00 0.00 0.00 0.00 60.65 62.18 2jxj s ILE 114 Cb -0.04 -4.20 -0.07 0.00 0.01 0.00 0.00 42.46 38.17 2jxj s ILE 114 CO 0.01 -0.07 0.88 -0.22 0.00 0.00 0.00 174.94 175.54 2jxj s LEU 115 N 2.59 4.52 0.78 2.97 2.96 -1.26 -4.98 118.68 126.27 2jxj s LEU 115 Ca 0.50 1.70 -0.12 0.00 -0.22 0.00 0.00 54.13 55.99 2jxj s LEU 115 Cb -0.19 -3.45 0.06 0.00 0.50 0.00 0.00 46.19 43.11 2jxj s LEU 115 CO 0.15 0.03 1.12 -0.62 -1.32 0.00 0.00 176.35 175.72 2jxj s ASP 116 N -0.37 4.20 0.01 3.68 -1.08 -1.26 -5.01 116.67 116.84 2jxj s ASP 116 Ca 0.42 2.02 -0.02 0.00 -0.52 0.00 0.00 52.55 54.45 2jxj s ASP 116 Cb -0.23 -2.55 -0.01 0.00 -1.46 0.00 0.00 42.92 38.68 2jxj s ASP 116 CO 0.28 -2.24 -0.04 0.18 0.52 0.00 0.00 175.17 173.87 2jxj n LEU 117 N -3.36 0.51 0.00 -1.34 4.77 -1.26 -4.39 117.00 111.93 2jxj n LEU 117 Ca 0.11 0.07 -0.10 0.00 -0.03 0.00 0.00 56.01 56.06 2jxj n LEU 117 Cb 0.52 -0.26 -0.04 0.00 -2.33 0.00 0.00 43.42 41.32 2jxj n LEU 117 CO 0.50 -0.55 0.80 0.22 -1.33 0.00 0.00 177.39 177.04 2jxj h TYR 118 N -0.11 -0.23 -0.78 -1.77 5.03 -1.95 -0.64 116.97 116.52 2jxj h TYR 118 Ca 0.00 0.02 0.04 0.00 2.58 0.00 0.00 58.73 61.37 2jxj h TYR 118 Cb 0.11 0.12 -0.05 0.00 1.55 0.00 0.00 36.73 38.46 2jxj h TYR 118 CO -0.05 -0.15 0.51 0.00 -1.32 0.00 0.00 178.16 177.16 2jxj h ALA 119 N 0.97 1.57 -0.07 1.82 0.00 -2.00 -1.79 119.26 119.76 2jxj h ALA 119 Ca 0.08 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 2jxj h ALA 119 Cb 0.22 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 17.76 2jxj h ALA 119 CO -0.18 0.34 0.01 1.25 0.00 0.00 0.00 179.25 180.67 2jxj h LEU 120 N 0.91 0.11 -1.51 0.00 5.85 -1.55 -2.15 115.31 116.97 2jxj h LEU 120 Ca 0.32 -0.25 0.03 0.00 0.84 0.00 0.00 57.88 58.81 2jxj h LEU 120 Cb 0.11 -0.03 -0.03 0.00 0.37 0.00 0.00 40.66 41.08 2jxj h LEU 120 CO -0.10 0.34 0.36 -1.28 -0.34 0.00 0.00 178.44 177.42 2jxj h SER 121 N -0.12 0.56 -0.26 1.25 0.87 -0.72 -2.27 113.55 112.87 2jxj h SER 121 Ca 0.02 -0.01 -0.05 0.00 -1.23 0.00 0.00 61.79 60.52 2jxj h SER 121 Cb 0.27 -0.13 -0.01 0.00 -0.44 0.00 0.00 62.40 62.09 2jxj h SER 121 CO 0.00 0.39 -0.03 0.11 -0.53 0.00 0.00 176.83 176.77 2jxj h LYS 122 N 0.65 0.47 -0.94 2.24 1.57 -1.13 -2.89 116.57 116.54 2jxj h LYS 122 Ca 0.22 -0.17 0.03 0.00 -1.87 0.00 0.00 60.65 58.86 2jxj h LYS 122 Cb 0.06 -0.03 -0.05 0.00 0.08 0.00 0.00 32.23 32.28 2jxj h LYS 122 CO -0.06 0.67 0.62 0.82 -0.57 0.00 0.00 179.45 180.93 2jxj h ILE 123 N 0.24 1.17 0.02 1.86 2.04 -0.84 -2.25 117.51 119.74 2jxj h ILE 123 Ca 0.07 -0.41 -0.00 0.00 1.00 0.00 0.00 64.86 65.52 2jxj h ILE 123 Cb 0.48 -0.13 0.00 0.00 -0.74 0.00 0.00 36.82 36.43 2jxj h ILE 123 CO 0.02 0.22 -0.01 0.58 0.00 0.00 0.00 178.15 178.96 2jxj h VAL 124 N 1.19 0.99 -0.60 1.67 2.07 -1.33 -2.85 116.25 117.40 2jxj h VAL 124 Ca 0.37 -0.03 0.05 0.00 0.82 0.00 0.00 66.70 67.92 2jxj h VAL 124 Cb 0.00 1.01 -0.05 0.00 -1.52 0.00 0.00 31.29 30.73 2jxj h VAL 124 CO -0.11 0.01 0.32 0.00 0.02 0.00 0.00 177.57 177.80 2jxj h ALA 125 N 0.94 0.78 -0.06 1.67 0.00 -1.27 -0.48 119.26 120.85 2jxj h ALA 125 Ca -0.00 0.02 0.02 0.00 0.00 0.00 0.00 54.91 54.94 2jxj h ALA 125 Cb 0.03 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 17.72 2jxj h ALA 125 CO 0.00 -0.02 0.17 0.66 0.00 0.00 0.00 179.25 180.07 2jxj h SER 126 N 0.60 0.00 0.62 0.00 4.64 -1.19 0.24 113.55 118.45 2jxj h SER 126 Ca 0.27 0.00 -0.27 0.00 -0.47 0.00 0.00 61.79 61.31 2jxj h SER 126 Cb 0.16 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.22 2jxj h SER 126 CO -0.17 0.00 -1.49 0.11 -0.87 0.00 0.00 176.83 174.41 2jxj h LYS 127 N 0.00 0.05 0.00 4.77 1.79 -0.90 -3.47 116.57 118.82 2jxj h LYS 127 Ca 0.03 -0.09 0.00 0.00 -2.18 0.00 0.00 60.65 58.41 2jxj h LYS 127 Cb 0.37 0.03 0.00 0.00 -1.58 0.00 0.00 32.23 31.05 2jxj h LYS 127 CO -0.00 0.78 0.00 0.41 -1.08 0.00 0.00 179.45 179.56 2jxj n GLY 128 N 1.53 0.00 3.37 3.86 0.00 0.04 -4.57 105.19 109.43 2jxj n GLY 128 Ca -0.13 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.89 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 2.04 0.39 -0.02 0.00 -1.03 -3.83 105.19 102.75 2jxj n GLY 129 Ca 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 46.02 45.81 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 -1.27 -0.29 1.61 -0.00 -1.26 -3.99 117.46 112.26 2jxj n PHE 130 Ca 0.00 0.10 0.00 0.00 -0.00 0.00 0.00 57.45 57.56 2jxj n PHE 130 Cb 0.00 0.45 0.13 0.00 -0.00 0.00 0.00 39.48 40.06 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 0.85 -0.35 -4.13 4.39 -1.96 -1.17 114.58 112.21 2jxj h GLU 131 Ca 0.00 -0.05 -0.01 0.00 0.34 0.00 0.00 59.36 59.64 2jxj h GLU 131 Cb 0.00 -0.19 -0.02 0.00 -0.10 0.00 0.00 28.75 28.44 2jxj h GLU 131 CO 0.00 0.56 0.18 0.52 -1.16 0.00 0.00 179.01 179.11 2jxj h MET 132 N 0.88 0.48 -0.21 2.33 2.86 -1.87 -1.23 114.93 118.16 2jxj h MET 132 Ca 0.36 -0.05 -0.00 0.00 -2.06 0.00 0.00 59.70 57.95 2jxj h MET 132 Cb 0.20 -0.10 -0.01 0.00 0.06 0.00 0.00 31.60 31.75 2jxj h MET 132 CO -0.18 0.37 0.12 0.28 1.06 0.00 0.00 176.91 178.55 2jxj h VAL 133 N 0.49 1.10 -0.23 -2.22 2.07 -1.46 0.96 116.25 116.96 2jxj h VAL 133 Ca 0.13 -0.27 -0.07 0.00 0.82 0.00 0.00 66.70 67.31 2jxj h VAL 133 Cb 0.04 0.90 -0.01 0.00 -1.52 0.00 0.00 31.29 30.70 2jxj h VAL 133 CO -0.02 0.10 -0.11 0.74 0.02 0.00 0.00 177.57 178.30 2jxj h THR 134 N 0.24 1.30 -0.17 2.57 2.02 -1.29 0.70 112.91 118.28 2jxj h THR 134 Ca 0.08 -1.19 -0.02 0.00 0.77 0.00 0.00 66.41 66.05 2jxj h THR 134 Cb 0.05 1.60 -0.01 0.00 -1.74 0.00 0.00 68.15 68.05 2jxj h THR 134 CO -0.01 0.37 0.02 0.11 0.37 0.00 0.00 175.52 176.38 2jxj h LYS 135 N 0.19 0.24 0.00 6.66 1.79 -1.14 -2.04 116.57 122.28 2jxj h LYS 135 Ca 0.05 -0.03 0.00 0.00 -2.18 0.00 0.00 60.65 58.49 2jxj h LYS 135 Cb 0.61 -0.05 0.00 0.00 -1.58 0.00 0.00 32.23 31.22 2jxj h LYS 135 CO 0.03 0.25 -1.18 0.39 -1.08 0.00 0.00 179.45 177.86 2jxj n GLU 136 N -4.42 0.45 -2.84 3.15 -0.58 0.32 -4.98 120.64 111.75 2jxj n GLU 136 Ca -0.00 0.00 -0.14 0.00 -0.42 0.00 0.00 57.16 56.60 2jxj n GLU 136 Cb 0.15 -1.66 0.03 0.00 -0.57 0.00 0.00 31.44 29.39 2jxj n GLU 136 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 2jxj n LYS 137 N -2.25 -3.52 0.00 3.49 4.76 0.23 -4.91 118.16 115.97 2jxj n LYS 137 Ca 0.00 0.54 0.14 0.00 -2.87 0.00 0.00 58.31 56.13 2jxj n LYS 137 Cb 0.50 -4.65 0.56 0.00 -1.84 0.00 0.00 35.03 29.60 2jxj n LYS 137 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 2jxj n LYS 138 N -2.89 1.26 -0.26 1.97 4.76 -0.22 -4.04 118.16 118.75 2jxj n LYS 138 Ca -0.05 -0.63 0.02 0.00 -2.87 0.00 0.00 58.31 54.77 2jxj n LYS 138 Cb 0.56 -1.49 0.23 0.00 -1.84 0.00 0.00 35.03 32.50 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 1.55 1.00 -0.52 2.13 4.06 -1.91 -1.64 115.95 120.62 2jxj h TRP 139 Ca 0.00 0.02 -0.05 0.00 2.06 0.00 0.00 58.89 60.92 2jxj h TRP 139 Cb 0.42 -0.34 -0.02 0.00 -1.00 0.00 0.00 29.16 28.22 2jxj h TRP 139 CO 0.00 0.60 0.10 0.77 -3.56 0.00 0.00 178.44 176.35 2jxj h SER 140 N 1.05 0.75 0.20 -3.49 0.02 -1.88 -2.38 113.55 107.82 2jxj h SER 140 Ca 0.32 -0.14 -0.10 0.00 -0.84 0.00 0.00 61.79 61.03 2jxj h SER 140 Cb -0.01 -0.20 -0.01 0.00 0.14 0.00 0.00 62.40 62.32 2jxj h SER 140 CO -0.09 0.76 -0.37 0.11 -1.14 0.00 0.00 176.83 176.10 2jxj h LYS 141 N 0.77 0.24 -0.49 3.45 1.57 -1.57 -2.46 116.57 118.08 2jxj h LYS 141 Ca 0.17 -0.10 -0.07 0.00 -1.87 0.00 0.00 60.65 58.78 2jxj h LYS 141 Cb 0.32 -0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.60 2jxj h LYS 141 CO 0.00 0.58 0.04 0.28 -0.57 0.00 0.00 179.45 179.78 2jxj h VAL 142 N 0.20 1.26 -0.36 0.50 2.07 -0.92 -2.43 116.25 116.57 2jxj h VAL 142 Ca 0.02 -1.01 -0.12 0.00 0.82 0.00 0.00 66.70 66.42 2jxj h VAL 142 Cb 0.75 0.95 -0.01 0.00 -1.52 0.00 0.00 31.29 31.46 2jxj h VAL 142 CO 0.06 0.35 -0.24 1.23 0.02 0.00 0.00 177.57 178.99 2jxj h GLY 143 N 0.70 0.87 1.36 2.17 0.00 -1.36 -2.85 103.07 103.96 2jxj h GLY 143 Ca 0.14 -0.82 0.00 0.00 0.00 0.00 0.00 47.33 46.65 2jxj h GLY 143 CO 0.02 0.74 0.41 1.76 0.00 0.00 0.00 176.54 179.47 2jxj h SER 144 N 0.59 0.75 0.28 0.19 0.02 -1.39 -1.54 113.55 112.44 2jxj h SER 144 Ca 0.07 -0.03 -0.10 0.00 -0.84 0.00 0.00 61.79 60.90 2jxj h SER 144 Cb 0.80 -0.19 -0.01 0.00 0.14 0.00 0.00 62.40 63.14 2jxj h SER 144 CO 0.07 0.56 -0.40 0.03 -1.14 0.00 0.00 176.83 175.95 2jxj h ARG 145 N 0.88 0.16 0.61 3.45 3.08 -1.34 -3.27 114.38 117.95 2jxj h ARG 145 Ca 0.23 -0.07 -0.03 0.00 0.07 0.00 0.00 59.98 60.18 2jxj h ARG 145 Cb -0.07 -0.00 0.01 0.00 0.08 0.00 0.00 29.97 29.98 2jxj h ARG 145 CO -0.05 0.54 -0.29 -0.07 -1.07 0.00 0.00 179.97 179.03 2jxj h LEU 146 N 0.14 -0.69 0.00 3.04 -0.00 -1.06 -3.48 115.31 113.26 2jxj h LEU 146 Ca 0.01 0.02 0.00 0.00 -0.00 0.00 0.00 57.88 57.92 2jxj h LEU 146 Cb 0.77 0.18 0.00 0.00 -0.00 0.00 0.00 40.66 41.61 2jxj h LEU 146 CO 0.06 -0.33 0.00 0.61 -0.00 0.00 0.00 178.44 178.78 2jxj n GLY 147 N -0.42 -0.92 3.36 0.83 0.00 -0.96 -5.08 105.19 102.00 2jxj n GLY 147 Ca -0.10 0.25 -0.36 0.00 0.00 0.00 0.00 46.02 45.81 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 3.04 0.18 1.61 1.51 -1.22 -5.03 117.35 117.44 2jxj s TYR 148 Ca 0.00 -0.77 -0.32 0.00 -1.01 0.00 0.00 57.07 54.97 2jxj s TYR 148 Cb 0.00 -2.18 -0.10 0.00 -0.11 0.00 0.00 41.96 39.57 2jxj s TYR 148 CO 0.00 -0.49 1.59 -0.51 -1.11 0.00 0.00 175.55 175.03 2jxj s LEU 149 N 1.53 4.37 0.99 -1.29 1.43 -1.26 -4.80 118.68 119.64 2jxj s LEU 149 Ca 0.05 2.66 -0.14 0.00 -1.03 0.00 0.00 54.13 55.68 2jxj s LEU 149 Cb -0.15 -3.60 0.07 0.00 0.03 0.00 0.00 46.19 42.54 2jxj s LEU 149 CO 0.00 -0.84 0.41 -2.65 0.23 0.00 0.00 176.35 173.50 2jxj n PRO 150 N 3.88 -0.61 0.00 1.29 -0.02 -1.26 -4.67 135.00 133.60 2jxj n PRO 150 Ca 0.14 -0.14 0.00 0.00 -2.02 0.00 0.00 63.50 61.48 2jxj n PRO 150 Cb 0.38 -1.88 0.00 0.00 -0.02 0.00 0.00 33.50 31.98 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 1.48 0.91 3.99 -1.23 0.00 -1.26 -5.11 105.19 103.98 2jxj n GLY 151 Ca 0.06 -0.27 -0.20 0.00 0.00 0.00 0.00 46.02 45.61 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 0.00 2.50 -0.08 1.61 1.02 -1.26 -5.06 119.74 118.46 2jxj s LYS 152 Ca 0.00 -1.06 -0.29 0.00 0.02 0.00 0.00 55.97 54.65 2jxj s LYS 152 Cb 0.00 -2.57 -0.02 0.00 -0.52 0.00 0.00 37.83 34.72 2jxj s LYS 152 CO 0.00 -0.68 0.95 0.20 -0.92 0.00 0.00 175.35 174.89 2jxj s GLY 153 N -4.47 2.49 -0.02 -3.33 0.00 -1.26 -4.90 107.32 95.84 2jxj s GLY 153 Ca 0.58 0.35 0.03 0.00 0.00 0.00 0.00 44.72 45.68 2jxj s GLY 153 CO 0.38 1.76 0.84 2.41 0.00 0.00 0.00 173.10 178.49 2jxj n THR 154 N 4.33 0.64 0.01 0.90 -1.04 -1.26 -4.80 114.28 113.06 2jxj n THR 154 Ca 0.07 -0.69 -0.18 0.00 -2.04 0.00 0.00 64.05 61.20 2jxj n THR 154 Cb 0.50 0.58 -0.10 0.00 -1.82 0.00 0.00 70.33 69.48 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 0.66 1.84 3.41 0.00 -1.90 -3.03 103.07 104.05 2jxj h GLY 155 Ca 0.00 -1.07 -0.06 0.00 0.00 0.00 0.00 47.33 46.20 2jxj h GLY 155 CO 0.00 0.95 -0.19 1.76 0.00 0.00 0.00 176.54 179.05 2jxj h SER 156 N 0.21 0.19 -0.37 0.19 0.02 -1.95 -2.79 113.55 109.06 2jxj h SER 156 Ca -0.08 -0.05 -0.07 0.00 -0.84 0.00 0.00 61.79 60.75 2jxj h SER 156 Cb 1.42 -0.05 -0.01 0.00 0.14 0.00 0.00 62.40 63.90 2jxj h SER 156 CO 0.15 0.40 -0.06 -0.07 -1.14 0.00 0.00 176.83 176.11 2jxj h LEU 157 N 0.19 0.69 -0.68 5.07 3.38 -1.88 -2.79 115.31 119.28 2jxj h LEU 157 Ca 0.03 -0.35 0.02 0.00 0.09 0.00 0.00 57.88 57.67 2jxj h LEU 157 Cb 0.45 -0.19 -0.04 0.00 0.09 0.00 0.00 40.66 40.98 2jxj h LEU 157 CO 0.03 0.88 0.44 -0.07 0.09 0.00 0.00 178.44 179.80 2jxj h LEU 158 N 0.49 0.73 -1.38 1.67 3.38 -1.37 -1.86 115.31 116.97 2jxj h LEU 158 Ca 0.10 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.06 2jxj h LEU 158 Cb 0.56 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 41.11 2jxj h LEU 158 CO 0.03 0.52 0.40 0.50 0.09 0.00 0.00 178.44 179.98 2jxj h LYS 159 N 0.87 0.81 -0.27 1.13 3.11 -1.42 0.43 116.57 121.23 2jxj h LYS 159 Ca 0.26 -0.05 -0.05 0.00 -2.81 0.00 0.00 60.65 58.00 2jxj h LYS 159 Cb -0.03 -0.18 -0.01 0.00 -1.00 0.00 0.00 32.23 31.01 2jxj h LYS 159 CO -0.08 0.54 -0.04 0.77 -2.81 0.00 0.00 179.45 177.83 2jxj h SER 160 N 0.83 0.49 -0.12 4.20 0.02 -1.08 -0.53 113.55 117.35 2jxj h SER 160 Ca 0.22 -0.34 -0.02 0.00 -0.84 0.00 0.00 61.79 60.81 2jxj h SER 160 Cb -0.08 -0.13 -0.00 0.00 0.14 0.00 0.00 62.40 62.32 2jxj h SER 160 CO -0.05 0.72 -0.01 0.45 -1.14 0.00 0.00 176.83 176.80 2jxj h HIS 161 N 0.26 0.25 -0.13 3.45 3.86 -0.95 -3.21 115.15 118.68 2jxj h HIS 161 Ca 0.07 -0.05 0.01 0.00 -1.16 0.00 0.00 60.37 59.24 2jxj h HIS 161 Cb 0.49 -0.06 -0.01 0.00 1.06 0.00 0.00 27.41 28.89 2jxj h HIS 161 CO 0.05 0.49 0.06 -0.92 0.86 0.00 0.00 177.93 178.47 2jxj h TYR 162 N -0.07 0.11 -1.38 2.45 3.20 -0.94 -3.19 116.97 117.15 2jxj h TYR 162 Ca 0.03 0.01 -0.76 0.00 3.14 0.00 0.00 58.73 61.15 2jxj h TYR 162 Cb 0.40 -0.03 -0.15 0.00 1.54 0.00 0.00 36.73 38.49 2jxj h TYR 162 CO 0.04 0.06 2.06 -1.91 -1.64 0.00 0.00 178.16 176.77 2jxj n GLU 163 N -5.04 3.78 0.00 1.82 2.13 -0.21 -0.08 120.64 123.04 2jxj n GLU 163 Ca -0.04 -3.54 0.00 0.00 0.66 0.00 0.00 57.16 54.24 2jxj n GLU 163 Cb 0.04 -2.87 0.00 0.00 0.27 0.00 0.00 31.44 28.88 2jxj n GLU 163 CO 0.00 0.00 0.00 0.54 -0.41 0.00 0.00 177.13 177.26 2jxj n ARG 164 N 3.49 0.00 0.00 5.31 5.12 -1.21 -4.81 116.66 124.56 2jxj n ARG 164 Ca 0.43 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 56.35 2jxj n ARG 164 Cb 0.34 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.64 2jxj n ARG 164 CO 0.00 0.00 0.00 -0.89 -1.93 0.00 0.00 177.63 174.81 2jxj n ILE 165 N -1.42 0.00 0.19 0.55 -0.00 -1.24 -4.76 119.36 112.69 2jxj n ILE 165 Ca 0.00 0.00 -0.09 0.00 -0.00 0.00 0.00 62.75 62.66 2jxj n ILE 165 Cb 0.00 -0.31 -0.04 0.00 -0.00 0.00 0.00 39.64 39.29 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 -0.47 0.35 1.39 6.46 -1.73 -2.77 115.31 118.54 2jxj h LEU 166 Ca 0.00 0.02 -0.00 0.00 -0.12 0.00 0.00 57.88 57.77 2jxj h LEU 166 Cb 0.24 0.12 -0.02 0.00 -0.73 0.00 0.00 40.66 40.27 2jxj h LEU 166 CO 0.00 -0.07 -0.33 0.22 -0.62 0.00 0.00 178.44 177.64 2jxj h TYR 167 N -1.09 -0.88 -0.47 1.25 3.20 -0.80 -2.42 116.97 115.75 2jxj h TYR 167 Ca -0.06 0.00 0.14 0.00 3.14 0.00 0.00 58.73 61.96 2jxj h TYR 167 Cb 0.43 0.34 -0.02 0.00 1.54 0.00 0.00 36.73 39.02 2jxj h TYR 167 CO 0.01 -0.47 0.35 -1.00 -1.64 0.00 0.00 178.16 175.41 2jxj h PRO 168 N -0.70 0.00 0.23 1.82 0.13 -1.78 -2.20 132.00 129.51 2jxj h PRO 168 Ca -0.02 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.10 2jxj h PRO 168 Cb 0.63 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.75 2jxj h PRO 168 CO -0.05 0.00 -0.16 -0.92 -0.23 0.00 0.00 178.00 176.64 2jxj h TYR 169 N 0.00 -0.42 -0.05 1.56 3.20 -1.13 0.16 116.97 120.30 2jxj h TYR 169 Ca 0.23 -0.00 0.01 0.00 3.14 0.00 0.00 58.73 62.11 2jxj h TYR 169 Cb 0.93 0.15 -0.01 0.00 1.54 0.00 0.00 36.73 39.34 2jxj h TYR 169 CO 0.00 -0.25 -0.03 1.49 -1.64 0.00 0.00 178.16 177.72 2jxj h GLU 170 N -0.39 -0.04 -0.74 1.82 4.22 -1.35 -2.27 114.58 115.83 2jxj h GLU 170 Ca -0.02 0.00 0.04 0.00 0.08 0.00 0.00 59.36 59.47 2jxj h GLU 170 Cb 0.34 0.01 -0.04 0.00 0.50 0.00 0.00 28.75 29.55 2jxj h GLU 170 CO 0.01 -0.03 0.49 -0.07 -2.18 0.00 0.00 179.01 177.23 2jxj h LEU 171 N -0.04 0.75 -1.51 1.64 3.38 -1.38 -1.20 115.31 116.96 2jxj h LEU 171 Ca 0.03 -0.00 0.05 0.00 0.09 0.00 0.00 57.88 58.05 2jxj h LEU 171 Cb 0.09 -0.17 -0.04 0.00 0.09 0.00 0.00 40.66 40.63 2jxj h LEU 171 CO -0.07 0.51 0.40 0.15 0.09 0.00 0.00 178.44 179.51 2jxj h PHE 172 N 0.86 0.61 0.06 1.13 3.04 -0.09 0.98 116.94 123.54 2jxj h PHE 172 Ca 0.31 0.02 -0.18 0.00 3.98 0.00 0.00 57.97 62.09 2jxj h PHE 172 Cb 0.12 -0.20 0.02 0.00 2.56 0.00 0.00 35.95 38.45 2jxj h PHE 172 CO -0.00 0.33 -0.74 1.96 -2.02 0.00 0.00 178.31 177.85 2jxj h GLN 173 N 0.61 0.39 -0.98 1.11 4.20 -1.01 -3.28 115.11 116.15 2jxj h GLN 173 Ca 0.26 -0.50 -0.51 0.00 0.06 0.00 0.00 58.65 57.95 2jxj h GLN 173 Cb 0.23 0.16 -0.30 0.00 0.30 0.00 0.00 27.48 27.88 2jxj h GLN 173 CO -0.08 1.18 0.64 0.43 -0.67 0.00 0.00 178.83 180.34 2jxj n SER 174 N -4.15 3.87 0.00 1.46 7.64 -0.80 -5.14 113.62 116.50 2jxj n SER 174 Ca -0.12 -3.62 0.00 0.00 1.01 0.00 0.00 58.87 56.14 2jxj n SER 174 Cb 0.76 -0.84 0.00 0.00 -1.01 0.00 0.00 64.21 63.12 2jxj n SER 174 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64