#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3g6e s ILE 2 N 0.00 2.26 0.12 -0.61 -4.36 -1.26 -5.14 121.20 112.22 3g6e s ILE 2 Ca 0.00 -0.63 0.01 0.00 -0.26 0.00 0.00 60.65 59.77 3g6e s ILE 2 Cb 0.00 -2.63 -0.04 0.00 1.25 0.00 0.00 42.46 41.04 3g6e s ILE 2 CO 0.00 0.00 -0.03 -0.44 0.24 0.00 0.00 174.94 174.71 3g6e s SER 3 N -4.66 1.01 -0.12 4.36 0.01 -1.26 -5.10 113.70 107.95 3g6e s SER 3 Ca 0.64 -1.09 -0.29 0.00 1.31 0.00 0.00 55.95 56.52 3g6e s SER 3 Cb -0.07 0.13 -0.05 0.00 0.21 0.00 0.00 66.02 66.25 3g6e s SER 3 CO 0.43 -0.54 1.81 -0.31 0.41 0.00 0.00 173.24 175.03 3g6e s TYR 4 N -3.71 1.72 -0.91 2.43 1.51 -1.26 -4.87 117.35 112.26 3g6e s TYR 4 Ca 0.17 0.21 0.22 0.00 -1.01 0.00 0.00 57.07 56.66 3g6e s TYR 4 Cb 0.06 -4.02 0.91 0.00 -0.11 0.00 0.00 41.96 38.80 3g6e s TYR 4 CO -0.01 -3.99 1.69 -1.13 -1.11 0.00 0.00 175.55 171.00 3g6e n SER 5 N 8.42 0.17 -4.28 2.29 3.41 -1.26 -4.77 113.62 117.59 3g6e n SER 5 Ca 0.20 0.53 -0.28 0.00 -0.26 0.00 0.00 58.87 59.07 3g6e n SER 5 Cb 0.44 -0.57 -0.15 0.00 -0.26 0.00 0.00 64.21 63.67 3g6e n SER 5 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 3g6e s VAL 6 N -3.05 1.86 0.48 -3.33 1.01 -1.26 -5.13 120.40 110.98 3g6e s VAL 6 Ca 0.10 -1.23 -0.23 0.00 0.00 0.00 0.00 61.98 60.62 3g6e s VAL 6 Cb 0.13 -1.59 -0.07 0.00 0.00 0.00 0.00 36.38 34.85 3g6e s VAL 6 CO 0.41 0.32 1.22 -1.61 0.00 0.00 0.00 175.10 175.44 3g6e s GLU 7 N -1.09 3.61 -0.08 2.72 2.02 -1.26 -5.05 118.70 119.57 3g6e s GLU 7 Ca 0.09 1.91 -0.03 0.00 0.02 0.00 0.00 54.97 56.96 3g6e s GLU 7 Cb -0.09 -2.38 0.04 0.00 0.10 0.00 0.00 34.13 31.80 3g6e s GLU 7 CO 0.01 -0.71 0.16 0.00 0.02 0.00 0.00 175.26 174.74 3g6e s ALA 8 N -1.47 -0.24 -0.46 5.21 0.00 -1.26 -5.12 121.76 118.43 3g6e s ALA 8 Ca 0.65 0.65 -0.28 0.00 0.00 0.00 0.00 51.96 52.98 3g6e s ALA 8 Cb -0.32 -0.66 0.03 0.00 0.00 0.00 0.00 23.12 22.17 3g6e s ALA 8 CO 0.39 -0.37 1.06 0.34 0.00 0.00 0.00 175.76 177.18 3g6e s ASP 9 N 1.76 6.61 0.56 0.00 -1.08 -1.26 -4.95 116.67 118.31 3g6e s ASP 9 Ca -0.03 0.39 0.28 0.00 -0.52 0.00 0.00 52.55 52.67 3g6e s ASP 9 Cb -0.12 -2.52 1.47 0.00 -1.46 0.00 0.00 42.92 40.30 3g6e s ASP 9 CO -0.06 -1.16 1.94 1.55 0.52 0.00 0.00 175.17 177.96 3g6e h PRO 10 N 9.10 0.00 0.00 4.34 0.13 -2.00 -2.16 132.00 141.41 3g6e h PRO 10 Ca -0.23 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 64.83 3g6e h PRO 10 Cb 1.07 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.19 3g6e h PRO 10 CO 1.09 0.00 -0.31 -0.44 -0.23 0.00 0.00 178.00 178.10 3g6e h ASP 11 N 0.00 0.00 0.00 1.44 3.32 -2.03 -3.25 116.42 115.89 3g6e h ASP 11 Ca 0.26 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.31 3g6e h ASP 11 Cb 1.17 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.72 3g6e h ASP 11 CO -0.00 0.31 -0.09 0.35 -1.72 0.00 0.00 179.24 178.09 3g6e n THR 12 N -3.44 1.20 -3.97 0.35 -2.24 -0.90 -5.08 114.28 100.20 3g6e n THR 12 Ca 0.00 -1.40 -0.09 0.00 -2.27 0.00 0.00 64.05 60.29 3g6e n THR 12 Cb 0.49 0.16 -0.11 0.00 -2.10 0.00 0.00 70.33 68.76 3g6e n THR 12 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 3g6e s THR 13 N -1.71 0.10 -0.03 4.28 2.01 -0.86 -2.40 115.64 117.02 3g6e s THR 13 Ca 0.17 -0.82 0.05 0.00 0.31 0.00 0.00 61.69 61.40 3g6e s THR 13 Cb 0.14 -0.24 -0.01 0.00 0.01 0.00 0.00 72.50 72.41 3g6e s THR 13 CO 0.02 -0.45 -0.18 0.00 -0.69 0.00 0.00 174.62 173.31 3g6e s ALA 14 N -1.32 1.56 0.30 7.40 0.00 -0.41 -4.71 121.76 124.58 3g6e s ALA 14 Ca -0.14 -0.76 0.10 0.00 0.00 0.00 0.00 51.96 51.16 3g6e s ALA 14 Cb -0.09 -0.46 -0.05 0.00 0.00 0.00 0.00 23.12 22.52 3g6e s ALA 14 CO -0.01 0.33 -0.08 0.15 0.00 0.00 0.00 175.76 176.16 3g6e s LYS 15 N -0.21 1.97 -0.15 0.00 1.02 -1.26 0.06 119.74 121.17 3g6e s LYS 15 Ca 0.02 -1.69 -0.30 0.00 0.02 0.00 0.00 55.97 54.02 3g6e s LYS 15 Cb -0.09 -1.91 0.11 0.00 -0.52 0.00 0.00 37.83 35.41 3g6e s LYS 15 CO 0.01 0.26 0.91 0.00 -0.92 0.00 0.00 175.35 175.61 3g6e s ALA 16 N -2.47 -1.89 0.03 5.17 0.00 -0.48 -4.66 121.76 117.46 3g6e s ALA 16 Ca 0.32 1.56 -0.03 0.00 0.00 0.00 0.00 51.96 53.81 3g6e s ALA 16 Cb -0.03 -0.62 -0.02 0.00 0.00 0.00 0.00 23.12 22.45 3g6e s ALA 16 CO 0.18 -0.32 0.03 -1.64 0.00 0.00 0.00 175.76 174.01 3g6e s MET 17 N -0.93 0.50 -0.04 0.00 -1.94 -1.26 -1.03 119.30 114.60 3g6e s MET 17 Ca -0.04 -0.79 0.07 0.00 -1.71 0.00 0.00 55.69 53.23 3g6e s MET 17 Cb -0.01 0.19 -0.02 0.00 2.01 0.00 0.00 34.83 37.00 3g6e s MET 17 CO 0.03 -0.11 -0.25 -0.51 -0.01 0.00 0.00 175.02 174.17 3g6e s LEU 18 N -2.04 2.09 -0.01 -0.03 1.43 -0.45 -4.96 118.68 114.70 3g6e s LEU 18 Ca -0.06 -0.48 0.08 0.00 -1.03 0.00 0.00 54.13 52.64 3g6e s LEU 18 Cb -0.02 -1.37 -0.02 0.00 0.03 0.00 0.00 46.19 44.81 3g6e s LEU 18 CO -0.04 0.28 -0.26 -0.13 0.23 0.00 0.00 176.35 176.43 3g6e s ARG 19 N -0.39 2.05 -1.45 1.70 1.81 -1.26 -2.29 118.95 119.11 3g6e s ARG 19 Ca 0.03 -0.97 -0.14 0.00 -1.72 0.00 0.00 55.73 52.94 3g6e s ARG 19 Cb -0.12 -2.03 0.14 0.00 -0.45 0.00 0.00 34.95 32.49 3g6e s ARG 19 CO 0.01 0.55 0.35 0.39 -0.68 0.00 0.00 175.30 175.92 3g6e n GLU 20 N 2.28 -0.82 -2.34 3.54 1.02 -1.13 -4.88 120.64 118.32 3g6e n GLU 20 Ca -0.16 0.10 -0.42 0.00 -0.02 0.00 0.00 57.16 56.66 3g6e n GLU 20 Cb 0.51 -3.56 -0.03 0.00 -0.02 0.00 0.00 31.44 28.34 3g6e n GLU 20 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 3g6e s ARG 21 N -6.21 4.30 -1.17 3.49 1.81 0.70 -4.58 118.95 117.28 3g6e s ARG 21 Ca 0.49 1.81 -0.18 0.00 -1.72 0.00 0.00 55.73 56.14 3g6e s ARG 21 Cb -0.28 -3.61 0.11 0.00 -0.45 0.00 0.00 34.95 30.71 3g6e s ARG 21 CO 0.83 -0.55 1.51 -0.65 -0.68 0.00 0.00 175.30 175.76 3g6e s GLN 22 N 2.54 3.90 0.19 3.54 -0.21 -1.26 -0.13 119.66 128.24 3g6e s GLN 22 Ca 0.60 -2.01 -0.10 0.00 0.02 0.00 0.00 55.36 53.87 3g6e s GLN 22 Cb -0.27 -5.28 -0.01 0.00 1.00 0.00 0.00 33.01 28.45 3g6e s GLN 22 CO 0.23 -2.03 0.34 0.00 -2.12 0.00 0.00 175.29 171.71 3g6e s MET 23 N 3.30 1.28 -0.02 2.91 0.23 -1.21 -5.01 119.30 120.79 3g6e s MET 23 Ca 0.46 -1.23 -0.30 0.00 -1.03 0.00 0.00 55.69 53.60 3g6e s MET 23 Cb 0.00 0.40 -0.05 0.00 -1.53 0.00 0.00 34.83 33.65 3g6e s MET 23 CO 0.00 -0.49 1.44 0.45 -2.03 0.00 0.00 175.02 174.39 3g6e s SER 24 N -3.00 6.82 0.18 -1.18 0.15 -1.26 -4.51 113.70 110.91 3g6e s SER 24 Ca 0.20 2.11 -0.08 0.00 0.70 0.00 0.00 55.95 58.89 3g6e s SER 24 Cb 0.02 -2.55 0.08 0.00 -1.71 0.00 0.00 66.02 61.85 3g6e s SER 24 CO 0.04 -0.76 1.57 0.15 1.20 0.00 0.00 173.24 175.43 3g6e h PHE 25 N 8.12 1.02 -0.46 3.44 3.57 -1.95 -2.39 116.94 128.29 3g6e h PHE 25 Ca -0.37 -0.26 -0.03 0.00 3.53 0.00 0.00 57.97 60.84 3g6e h PHE 25 Cb 1.17 -0.23 -0.02 0.00 2.79 0.00 0.00 35.95 39.66 3g6e h PHE 25 CO 0.78 1.04 0.16 0.87 -2.23 0.00 0.00 178.31 178.93 3g6e h LYS 26 N 0.75 0.67 -0.07 1.11 1.57 -2.01 -1.45 116.57 117.14 3g6e h LYS 26 Ca 0.09 -0.10 -0.20 0.00 -1.87 0.00 0.00 60.65 58.57 3g6e h LYS 26 Cb 0.82 -0.12 -0.00 0.00 0.08 0.00 0.00 32.23 33.01 3g6e h LYS 26 CO 0.07 0.57 -0.80 0.45 -0.57 0.00 0.00 179.45 179.17 3g6e h HIS 27 N 0.66 0.64 -0.18 -1.35 3.86 -1.93 -3.10 115.15 113.74 3g6e h HIS 27 Ca 0.16 -0.30 -0.10 0.00 -1.16 0.00 0.00 60.37 58.97 3g6e h HIS 27 Cb 0.17 -0.09 -0.01 0.00 1.06 0.00 0.00 27.41 28.54 3g6e h HIS 27 CO 0.01 1.09 -0.31 0.77 0.86 0.00 0.00 177.93 180.34 3g6e h SER 28 N 0.30 0.36 -0.34 2.45 0.02 -0.84 -1.31 113.55 114.19 3g6e h SER 28 Ca -0.05 -0.13 -0.07 0.00 -0.84 0.00 0.00 61.79 60.70 3g6e h SER 28 Cb 1.40 -0.10 -0.01 0.00 0.14 0.00 0.00 62.40 63.83 3g6e h SER 28 CO 0.14 0.66 -0.07 0.11 -1.14 0.00 0.00 176.83 176.53 3g6e h LYS 29 N 0.31 0.65 -0.50 3.45 1.57 -1.28 -1.99 116.57 118.78 3g6e h LYS 29 Ca 0.04 -0.24 -0.07 0.00 -1.87 0.00 0.00 60.65 58.50 3g6e h LYS 29 Cb 0.71 -0.04 -0.02 0.00 0.08 0.00 0.00 32.23 32.96 3g6e h LYS 29 CO 0.05 0.81 0.01 0.00 -0.57 0.00 0.00 179.45 179.75 3g6e h ALA 30 N 0.82 1.07 -0.05 3.86 0.00 -1.42 -1.34 119.26 122.19 3g6e h ALA 30 Ca 0.09 -0.27 -0.07 0.00 0.00 0.00 0.00 54.91 54.66 3g6e h ALA 30 Cb 0.56 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.16 3g6e h ALA 30 CO 0.03 0.59 -0.23 0.82 0.00 0.00 0.00 179.25 180.46 3g6e h ILE 31 N 0.78 1.45 0.02 0.00 2.04 -1.22 -2.77 117.51 117.80 3g6e h ILE 31 Ca 0.15 -1.66 0.02 0.00 1.00 0.00 0.00 64.86 64.37 3g6e h ILE 31 Cb 0.46 2.38 -0.03 0.00 -0.74 0.00 0.00 36.82 38.88 3g6e h ILE 31 CO 0.02 0.47 -0.17 0.00 0.00 0.00 0.00 178.15 178.47 3g6e h ALA 32 N 0.41 -0.22 -0.69 1.87 0.00 -1.30 -0.69 119.26 118.65 3g6e h ALA 32 Ca -0.01 0.00 0.14 0.00 0.00 0.00 0.00 54.91 55.04 3g6e h ALA 32 Cb 0.88 0.29 -0.10 0.00 0.00 0.00 0.00 17.79 18.86 3g6e h ALA 32 CO 0.05 -0.67 0.18 -0.09 0.00 0.00 0.00 179.25 178.72 3g6e h ARG 33 N -0.28 0.29 -0.04 0.00 2.43 -1.31 -2.08 114.38 113.40 3g6e h ARG 33 Ca 0.05 -0.02 -0.23 0.00 -0.81 0.00 0.00 59.98 58.97 3g6e h ARG 33 Cb 0.34 -0.07 0.01 0.00 -0.42 0.00 0.00 29.97 29.84 3g6e h ARG 33 CO -0.15 0.19 -0.91 1.49 -1.51 0.00 0.00 179.97 179.08 3g6e h GLU 34 N 0.30 0.56 0.00 0.20 4.57 -1.16 -3.29 114.58 115.75 3g6e h GLU 34 Ca 0.38 -0.55 0.00 0.00 -1.18 0.00 0.00 59.36 58.01 3g6e h GLU 34 Cb 0.60 0.14 0.00 0.00 -0.16 0.00 0.00 28.75 29.33 3g6e h GLU 34 CO -0.45 1.17 -0.09 0.44 -1.18 0.00 0.00 179.01 178.90 3g6e n ILE 35 N -3.82 0.27 -1.99 2.32 -5.35 -0.30 -4.85 119.36 105.64 3g6e n ILE 35 Ca -0.08 -0.14 -0.41 0.00 -0.27 0.00 0.00 62.75 61.85 3g6e n ILE 35 Cb 0.81 -0.45 -0.02 0.00 -1.74 0.00 0.00 39.64 38.24 3g6e n ILE 35 CO 0.00 0.00 0.00 -0.75 -1.76 0.00 0.00 176.55 174.04 3g6e s LYS 36 N -3.05 4.26 0.00 6.28 2.20 -0.85 -2.47 119.74 126.10 3g6e s LYS 36 Ca 0.12 2.33 0.00 0.00 -0.36 0.00 0.00 55.97 58.06 3g6e s LYS 36 Cb 0.16 -3.08 0.00 0.00 -1.51 0.00 0.00 37.83 33.39 3g6e s LYS 36 CO 0.59 -0.41 0.00 0.41 -0.36 0.00 0.00 175.35 175.58 3g6e n GLY 37 N 1.82 3.05 3.80 5.54 0.00 -0.93 -5.03 105.19 113.44 3g6e n GLY 37 Ca 0.05 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.77 3g6e n GLY 37 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3g6e s LYS 38 N -0.26 2.50 0.44 1.61 1.02 -1.03 -4.58 119.74 119.43 3g6e s LYS 38 Ca 0.00 0.87 -0.20 0.00 0.02 0.00 0.00 55.97 56.66 3g6e s LYS 38 Cb 0.00 -1.95 -0.11 0.00 -0.52 0.00 0.00 37.83 35.26 3g6e s LYS 38 CO 0.00 -1.39 0.95 0.99 -0.92 0.00 0.00 175.35 174.98 3g6e s THR 39 N -3.06 4.41 0.29 2.17 2.01 -1.26 -1.43 115.64 118.78 3g6e s THR 39 Ca 0.60 1.44 0.03 0.00 0.31 0.00 0.00 61.69 64.07 3g6e s THR 39 Cb -0.15 -3.61 0.28 0.00 0.01 0.00 0.00 72.50 69.03 3g6e s THR 39 CO 0.55 -0.36 1.78 0.00 -0.69 0.00 0.00 174.62 175.90 3g6e h ALA 40 N 1.80 1.53 -0.15 7.40 0.00 -0.66 0.12 119.26 129.31 3g6e h ALA 40 Ca -0.49 0.07 -0.15 0.00 0.00 0.00 0.00 54.91 54.35 3g6e h ALA 40 Cb 1.18 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.88 3g6e h ALA 40 CO 0.61 -0.02 -0.54 0.78 0.00 0.00 0.00 179.25 180.08 3g6e h GLY 41 N 0.76 0.48 1.11 0.00 0.00 -1.53 -1.86 103.07 102.04 3g6e h GLY 41 Ca 0.53 -0.55 -0.12 0.00 0.00 0.00 0.00 47.33 47.20 3g6e h GLY 41 CO -0.36 0.50 -0.12 0.83 0.00 0.00 0.00 176.54 177.39 3g6e h GLU 42 N 0.34 1.04 -0.31 4.80 5.08 -1.52 -2.16 114.58 121.85 3g6e h GLU 42 Ca 0.01 -0.39 -0.09 0.00 -1.00 0.00 0.00 59.36 57.89 3g6e h GLU 42 Cb 1.06 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 30.23 3g6e h GLU 42 CO 0.10 1.08 -0.18 0.00 -1.00 0.00 0.00 179.01 179.01 3g6e h ALA 43 N 0.94 1.12 -0.16 3.43 0.00 -0.81 0.13 119.26 123.90 3g6e h ALA 43 Ca 0.14 -0.31 -0.06 0.00 0.00 0.00 0.00 54.91 54.68 3g6e h ALA 43 Cb 0.69 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.34 3g6e h ALA 43 CO 0.05 0.55 -0.12 0.28 0.00 0.00 0.00 179.25 180.00 3g6e h VAL 44 N 0.50 1.33 -0.43 0.00 2.07 -1.17 -0.88 116.25 117.68 3g6e h VAL 44 Ca 0.08 -1.24 -0.04 0.00 0.82 0.00 0.00 66.70 66.33 3g6e h VAL 44 Cb 0.59 1.79 -0.02 0.00 -1.52 0.00 0.00 31.29 32.13 3g6e h VAL 44 CO 0.04 0.37 0.11 0.44 0.02 0.00 0.00 177.57 178.55 3g6e h ASP 45 N 0.02 0.59 0.15 0.57 3.32 -1.16 -1.50 116.42 118.41 3g6e h ASP 45 Ca 0.03 -0.09 -0.01 0.00 0.02 0.00 0.00 57.03 56.99 3g6e h ASP 45 Cb 0.63 -0.15 0.00 0.00 0.22 0.00 0.00 39.33 40.03 3g6e h ASP 45 CO 0.03 0.59 -0.07 0.22 -1.72 0.00 0.00 179.24 178.28 3g6e h TYR 46 N 0.62 -0.19 0.00 4.55 3.20 -0.84 -2.66 116.97 121.65 3g6e h TYR 46 Ca 0.14 -0.00 -0.02 0.00 3.14 0.00 0.00 58.73 61.98 3g6e h TYR 46 Cb 0.23 0.06 -0.00 0.00 1.54 0.00 0.00 36.73 38.56 3g6e h TYR 46 CO 0.01 0.18 -0.12 -0.07 -1.64 0.00 0.00 178.16 176.52 3g6e h LEU 47 N -0.59 0.00 -0.20 2.82 3.38 -0.93 -1.92 115.31 117.87 3g6e h LEU 47 Ca -0.02 0.00 -0.20 0.00 0.09 0.00 0.00 57.88 57.75 3g6e h LEU 47 Cb 0.45 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.18 3g6e h LEU 47 CO 0.03 0.12 -0.93 -0.33 0.09 0.00 0.00 178.44 177.42 3g6e h GLU 48 N 0.00 0.12 0.00 1.13 5.08 -1.27 -2.56 114.58 117.08 3g6e h GLU 48 Ca -0.00 -0.15 -0.05 0.00 -1.00 0.00 0.00 59.36 58.16 3g6e h GLU 48 Cb 0.36 0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.65 3g6e h GLU 48 CO 0.02 0.96 -0.25 0.00 -1.00 0.00 0.00 179.01 178.74 3g6e h ALA 49 N 0.98 0.92 0.03 3.43 0.00 -1.00 -2.05 119.26 121.57 3g6e h ALA 49 Ca -0.04 -0.23 -0.16 0.00 0.00 0.00 0.00 54.91 54.48 3g6e h ALA 49 Cb 1.60 -0.04 0.01 0.00 0.00 0.00 0.00 17.79 19.36 3g6e h ALA 49 CO 0.13 0.31 -0.66 0.28 0.00 0.00 0.00 179.25 179.32 3g6e h VAL 50 N 0.00 1.45 -0.19 0.00 2.07 -1.27 0.36 116.25 118.66 3g6e h VAL 50 Ca -0.00 -2.19 -0.04 0.00 0.82 0.00 0.00 66.70 65.28 3g6e h VAL 50 Cb 0.95 2.74 -0.01 0.00 -1.52 0.00 0.00 31.29 33.45 3g6e h VAL 50 CO 0.03 0.63 -0.07 0.40 0.02 0.00 0.00 177.57 178.58 3g6e h ILE 51 N -0.17 1.17 0.00 4.57 2.04 -1.33 -1.45 117.51 122.34 3g6e h ILE 51 Ca -0.09 -0.71 -0.03 0.00 1.00 0.00 0.00 64.86 65.03 3g6e h ILE 51 Cb 1.40 1.11 -0.00 0.00 -0.74 0.00 0.00 36.82 38.58 3g6e h ILE 51 CO 0.13 0.23 -0.15 -0.08 0.00 0.00 0.00 178.15 178.27 3g6e h GLU 52 N 0.29 0.00 0.00 2.37 4.57 -1.38 -3.48 114.58 116.95 3g6e h GLU 52 Ca 0.06 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.24 3g6e h GLU 52 Cb 0.32 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.91 3g6e h GLU 52 CO 0.02 0.15 0.00 0.41 -1.18 0.00 0.00 179.01 178.41 3g6e n GLY 53 N 1.11 0.69 0.03 1.92 0.00 -0.55 -4.97 105.19 103.44 3g6e n GLY 53 Ca 0.03 -0.36 0.11 0.00 0.00 0.00 0.00 46.02 45.80 3g6e n GLY 53 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3g6e n ASP 54 N 0.66 0.61 -3.69 1.61 8.00 0.12 -4.86 116.55 119.00 3g6e n ASP 54 Ca 0.00 -0.20 -0.20 0.00 0.71 0.00 0.00 54.79 55.10 3g6e n ASP 54 Cb 0.00 0.81 -0.18 0.00 -0.02 0.00 0.00 41.12 41.73 3g6e n ASP 54 CO 0.00 0.00 0.00 -1.58 -0.39 0.00 0.00 177.20 175.23 3g6e s GLN 55 N -3.21 0.05 0.31 -1.24 2.00 -0.73 -4.97 119.66 111.87 3g6e s GLN 55 Ca 0.03 0.32 -0.15 0.00 -2.00 0.00 0.00 55.36 53.57 3g6e s GLN 55 Cb 0.14 -0.58 -0.09 0.00 0.80 0.00 0.00 33.01 33.28 3g6e s GLN 55 CO 0.80 -0.32 0.72 -1.25 -0.50 0.00 0.00 175.29 174.75 3g6e s PRO 56 N 2.09 4.01 -0.25 1.67 0.04 -1.26 -3.99 135.00 137.32 3g6e s PRO 56 Ca 0.04 0.66 -0.14 0.00 0.04 0.00 0.00 61.00 61.61 3g6e s PRO 56 Cb -0.12 -2.49 -0.04 0.00 0.04 0.00 0.00 34.50 31.89 3g6e s PRO 56 CO -0.03 0.19 0.32 0.08 0.04 0.00 0.00 177.00 177.59 3g6e s VAL 57 N -1.93 5.23 0.13 -0.36 1.01 0.56 -4.89 120.40 120.15 3g6e s VAL 57 Ca 0.53 0.49 -0.31 0.00 0.00 0.00 0.00 61.98 62.68 3g6e s VAL 57 Cb -0.11 -3.65 -0.10 0.00 0.00 0.00 0.00 36.38 32.53 3g6e s VAL 57 CO 0.18 0.23 1.62 -2.84 0.00 0.00 0.00 175.10 174.29 3g6e s PRO 58 N 1.62 4.20 -0.62 2.72 0.02 -1.26 -1.66 135.00 140.02 3g6e s PRO 58 Ca 0.14 2.38 -0.09 0.00 0.02 0.00 0.00 61.00 63.45 3g6e s PRO 58 Cb -0.15 -3.33 0.16 0.00 0.02 0.00 0.00 34.50 31.20 3g6e s PRO 58 CO 0.08 -0.67 0.51 -0.06 -0.33 0.00 0.00 177.00 176.53 3g6e s PHE 59 N 1.75 3.51 -0.09 6.54 2.99 -0.20 -4.84 117.98 127.64 3g6e s PHE 59 Ca 0.72 -2.11 0.07 0.00 0.00 0.00 0.00 56.93 55.61 3g6e s PHE 59 Cb -0.43 -3.53 -0.24 0.00 0.00 0.00 0.00 43.02 38.82 3g6e s PHE 59 CO 0.32 -0.95 0.49 1.63 -0.00 0.00 0.00 175.22 176.71 3g6e n LYS 60 N 4.25 0.68 -0.11 0.44 5.02 -1.26 -4.44 118.16 122.73 3g6e n LYS 60 Ca 0.03 0.26 -0.18 0.00 -2.02 0.00 0.00 58.31 56.39 3g6e n LYS 60 Cb 0.42 -1.74 -0.06 0.00 -0.02 0.00 0.00 35.03 33.63 3g6e n LYS 60 CO 0.00 0.00 0.00 0.94 -0.52 0.00 0.00 177.40 177.82 3g6e n GLN 61 N -3.16 0.55 -2.96 1.97 7.27 -1.26 -4.72 117.38 115.07 3g6e n GLN 61 Ca -0.24 0.32 -0.43 0.00 0.07 0.00 0.00 57.00 56.72 3g6e n GLN 61 Cb 1.06 -1.53 0.01 0.00 2.41 0.00 0.00 30.24 32.18 3g6e n GLN 61 CO 0.00 0.00 0.00 0.72 0.07 0.00 0.00 177.06 177.85 3g6e n HIS 62 N -4.40 3.01 -0.17 3.69 8.25 -1.26 -4.73 115.22 119.61 3g6e n HIS 62 Ca -0.30 -2.88 0.02 0.00 -0.26 0.00 0.00 57.72 54.30 3g6e n HIS 62 Cb 0.64 -1.48 0.05 0.00 1.12 0.00 0.00 29.99 30.32 3g6e n HIS 62 CO 0.00 0.00 0.00 0.27 0.64 0.00 0.00 176.34 177.25 3g6e n ASN 63 N 2.14 2.29 -4.62 0.41 0.23 -1.26 -4.94 115.26 109.50 3g6e n ASN 63 Ca 0.28 -2.13 -0.43 0.00 -0.53 0.00 0.00 54.58 51.77 3g6e n ASN 63 Cb 0.35 -0.11 -0.03 0.00 -2.08 0.00 0.00 39.78 37.91 3g6e n ASN 63 CO 0.00 0.00 0.00 -0.94 -0.93 0.00 0.00 177.26 175.39 3g6e s SER 64 N -1.21 5.88 0.00 0.53 1.04 -1.26 -1.49 113.70 117.19 3g6e s SER 64 Ca 0.09 1.92 0.00 0.00 0.48 0.00 0.00 55.95 58.45 3g6e s SER 64 Cb 0.06 -2.52 0.00 0.00 0.10 0.00 0.00 66.02 63.66 3g6e s SER 64 CO 0.04 -1.62 0.00 0.61 0.98 0.00 0.00 173.24 173.25 3g6e n GLY 65 N 5.27 1.26 3.70 7.32 0.00 -1.26 -5.03 105.19 116.46 3g6e n GLY 65 Ca 0.25 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.85 3g6e n GLY 65 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3g6e s VAL 66 N -2.44 3.49 0.53 1.61 1.01 -0.56 -4.99 120.40 119.05 3g6e s VAL 66 Ca 0.00 1.00 -0.20 0.00 0.00 0.00 0.00 61.98 62.79 3g6e s VAL 66 Cb 0.00 -3.64 -0.06 0.00 0.00 0.00 0.00 36.38 32.67 3g6e s VAL 66 CO 0.00 0.04 1.12 -0.83 0.00 0.00 0.00 175.10 175.43 3g6e s GLY 67 N 1.46 2.62 0.39 4.51 0.00 -1.26 -4.78 107.32 110.26 3g6e s GLY 67 Ca 0.64 0.79 -0.25 0.00 0.00 0.00 0.00 44.72 45.91 3g6e s GLY 67 CO 0.29 1.15 1.13 0.30 0.00 0.00 0.00 173.10 175.97 3g6e s HIS 68 N -1.79 3.16 -0.11 1.90 0.09 -1.26 -3.57 115.29 113.71 3g6e s HIS 68 Ca 0.71 1.59 0.03 0.00 -0.00 0.00 0.00 55.06 57.39 3g6e s HIS 68 Cb -0.23 -3.31 0.01 0.00 -0.00 0.00 0.00 32.58 29.05 3g6e s HIS 68 CO 0.26 -1.07 -0.20 0.15 -0.00 0.00 0.00 174.74 173.87 3g6e s LYS 69 N -2.30 2.71 0.26 1.40 -0.14 -0.21 -4.90 119.74 116.56 3g6e s LYS 69 Ca 0.56 -0.75 -0.04 0.00 -1.36 0.00 0.00 55.97 54.39 3g6e s LYS 69 Cb -0.28 -2.13 0.36 0.00 -1.68 0.00 0.00 37.83 34.09 3g6e s LYS 69 CO 0.36 0.07 1.91 0.66 -0.76 0.00 0.00 175.35 177.58 3g6e h SER 70 N 7.02 1.08 0.30 2.83 4.64 -1.96 -2.68 113.55 124.77 3g6e h SER 70 Ca -0.26 -0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.05 3g6e h SER 70 Cb 1.21 -0.24 0.00 0.00 -0.31 0.00 0.00 62.40 63.06 3g6e h SER 70 CO 0.49 0.73 0.00 0.29 -0.87 0.00 0.00 176.83 177.48 3g6e n LYS 71 N -4.45 0.26 -2.74 4.77 5.02 -1.26 -4.70 118.16 115.06 3g6e n LYS 71 Ca 0.14 0.12 -0.43 0.00 -2.02 0.00 0.00 58.31 56.12 3g6e n LYS 71 Cb 0.11 -1.50 -0.03 0.00 -0.02 0.00 0.00 35.03 33.59 3g6e n LYS 71 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 3g6e s VAL 72 N -2.54 4.74 -0.15 -0.18 1.01 -1.01 -4.91 120.40 117.36 3g6e s VAL 72 Ca 0.17 1.88 -0.14 0.00 0.00 0.00 0.00 61.98 63.89 3g6e s VAL 72 Cb 0.11 -4.25 -0.05 0.00 0.00 0.00 0.00 36.38 32.20 3g6e s VAL 72 CO 0.25 -0.12 0.32 -0.62 0.00 0.00 0.00 175.10 174.93 3g6e s ASP 73 N 1.22 6.48 0.00 3.32 2.15 -1.26 -4.23 116.67 124.35 3g6e s ASP 73 Ca 0.42 0.56 0.00 0.00 0.43 0.00 0.00 52.55 53.96 3g6e s ASP 73 Cb -0.15 -2.20 0.00 0.00 -0.30 0.00 0.00 42.92 40.27 3g6e s ASP 73 CO 0.08 0.09 0.00 0.61 -0.17 0.00 0.00 175.17 175.78 3g6e n GLY 74 N 3.31 1.38 3.34 2.66 0.00 -1.26 -4.93 105.19 109.68 3g6e n GLY 74 Ca -0.11 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.76 3g6e n GLY 74 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 3g6e s TRP 75 N -3.05 1.22 -0.06 1.61 -0.11 -1.26 -5.13 118.94 112.16 3g6e s TRP 75 Ca 0.00 -1.37 -0.06 0.00 1.22 0.00 0.00 56.10 55.89 3g6e s TRP 75 Cb 0.00 -0.41 -0.04 0.00 -1.50 0.00 0.00 33.47 31.52 3g6e s TRP 75 CO 0.00 -0.86 -0.14 -0.40 -4.62 0.00 0.00 176.95 170.93 3g6e n ASP 76 N -0.93 1.10 -4.75 5.86 5.68 -1.26 -4.72 116.55 117.53 3g6e n ASP 76 Ca 0.03 0.17 -0.40 0.00 -0.50 0.00 0.00 54.79 54.09 3g6e n ASP 76 Cb 0.63 -0.41 -0.06 0.00 -1.14 0.00 0.00 41.12 40.15 3g6e n ASP 76 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3g6e s ALA 77 N -2.28 3.34 -0.01 2.12 0.00 -1.26 -1.04 121.76 122.63 3g6e s ALA 77 Ca -0.13 0.64 -0.28 0.00 0.00 0.00 0.00 51.96 52.18 3g6e s ALA 77 Cb 0.04 -3.22 0.10 0.00 0.00 0.00 0.00 23.12 20.04 3g6e s ALA 77 CO 0.18 0.17 0.87 0.20 0.00 0.00 0.00 175.76 177.18 3g6e s GLY 78 N -1.12 -0.46 0.21 0.00 0.00 -1.23 -1.03 107.32 103.68 3g6e s GLY 78 Ca 0.41 1.07 0.03 0.00 0.00 0.00 0.00 44.72 46.23 3g6e s GLY 78 CO 0.33 0.40 0.22 0.54 0.00 0.00 0.00 173.10 174.58 3g6e n ARG 79 N -0.14 0.31 -3.36 2.90 1.74 -0.66 -4.73 116.66 112.72 3g6e n ARG 79 Ca -0.10 -1.96 -0.26 0.00 -0.77 0.00 0.00 57.85 54.76 3g6e n ARG 79 Cb 0.62 1.69 -0.08 0.00 -1.02 0.00 0.00 32.46 33.67 3g6e n ARG 79 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77 3g6e n TYR 80 N -0.38 3.05 -2.15 -1.55 4.02 -1.26 -0.33 117.16 118.56 3g6e n TYR 80 Ca 0.03 -4.06 -0.30 0.00 -0.01 0.00 0.00 57.90 53.57 3g6e n TYR 80 Cb 0.37 -0.52 -0.05 0.00 -0.02 0.00 0.00 39.34 39.12 3g6e n TYR 80 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 176.86 174.60 3g6e s PRO 81 N -2.34 2.76 0.22 -0.72 0.04 -1.26 -4.84 135.00 128.85 3g6e s PRO 81 Ca 0.40 -0.49 -0.07 0.00 0.04 0.00 0.00 61.00 60.88 3g6e s PRO 81 Cb 0.16 -5.13 0.18 0.00 0.04 0.00 0.00 34.50 29.75 3g6e s PRO 81 CO -0.03 -3.17 1.72 1.05 0.04 0.00 0.00 177.00 176.61 3g6e h GLU 82 N 10.92 1.04 0.26 4.56 4.11 -1.93 -2.24 114.58 131.29 3g6e h GLU 82 Ca 0.12 -0.27 -0.01 0.00 0.07 0.00 0.00 59.36 59.27 3g6e h GLU 82 Cb 1.00 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 30.13 3g6e h GLU 82 CO 1.25 0.95 -0.12 -0.22 0.07 0.00 0.00 179.01 180.94 3g6e h LYS 83 N 0.98 -0.33 0.00 1.06 3.64 -1.99 0.80 116.57 120.72 3g6e h LYS 83 Ca 0.20 0.02 -0.04 0.00 -1.27 0.00 0.00 60.65 59.55 3g6e h LYS 83 Cb 0.42 0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 32.31 3g6e h LYS 83 CO 0.01 -0.19 -0.21 0.00 -2.27 0.00 0.00 179.45 176.79 3g6e h ALA 84 N 0.35 1.06 0.00 5.00 0.00 -1.93 -2.32 119.26 121.42 3g6e h ALA 84 Ca -0.04 -0.19 -0.23 0.00 0.00 0.00 0.00 54.91 54.45 3g6e h ALA 84 Cb 0.30 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.06 3g6e h ALA 84 CO 0.06 0.26 -0.96 0.77 0.00 0.00 0.00 179.25 179.38 3g6e h SER 85 N 0.00 0.57 0.27 0.00 0.02 -1.00 -2.08 113.55 111.33 3g6e h SER 85 Ca -0.00 -0.46 -0.09 0.00 -0.84 0.00 0.00 61.79 60.39 3g6e h SER 85 Cb 0.68 -0.18 -0.01 0.00 0.14 0.00 0.00 62.40 63.03 3g6e h SER 85 CO 0.03 1.26 -0.37 0.11 -1.14 0.00 0.00 176.83 176.72 3g6e h LYS 86 N 0.25 0.15 -0.00 3.45 1.57 -0.52 -1.45 116.57 120.02 3g6e h LYS 86 Ca -0.09 -0.06 -0.19 0.00 -1.87 0.00 0.00 60.65 58.44 3g6e h LYS 86 Cb 1.60 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 33.89 3g6e h LYS 86 CO 0.17 0.51 -0.85 0.00 -0.57 0.00 0.00 179.45 178.71 3g6e h ALA 87 N 1.49 0.56 0.00 3.86 0.00 -1.36 -2.80 119.26 121.02 3g6e h ALA 87 Ca 0.01 -0.72 -0.08 0.00 0.00 0.00 0.00 54.91 54.13 3g6e h ALA 87 Cb 0.72 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.42 3g6e h ALA 87 CO 0.05 0.92 -0.38 0.74 0.00 0.00 0.00 179.25 180.58 3g6e h PHE 88 N 0.09 0.00 -0.02 0.00 -1.00 -1.01 -2.57 116.94 112.43 3g6e h PHE 88 Ca -0.04 0.00 -0.15 0.00 2.81 0.00 0.00 57.97 60.60 3g6e h PHE 88 Cb 1.47 0.00 -0.02 0.00 3.61 0.00 0.00 35.95 41.01 3g6e h PHE 88 CO 0.02 0.38 -0.65 -0.07 -1.61 0.00 0.00 178.31 176.38 3g6e h LEU 89 N 0.00 0.12 -0.76 1.54 3.38 -1.10 -1.00 115.31 117.49 3g6e h LEU 89 Ca -0.00 -0.07 -0.13 0.00 0.09 0.00 0.00 57.88 57.76 3g6e h LEU 89 Cb 1.04 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.74 3g6e h LEU 89 CO 0.05 0.74 -0.50 0.44 0.09 0.00 0.00 178.44 179.25 3g6e h ASP 90 N 0.07 0.32 -0.02 -0.43 5.19 -1.24 0.03 116.42 120.35 3g6e h ASP 90 Ca -0.01 -0.16 -0.20 0.00 -0.62 0.00 0.00 57.03 56.04 3g6e h ASP 90 Cb 1.17 -0.09 0.00 0.00 0.18 0.00 0.00 39.33 40.59 3g6e h ASP 90 CO 0.09 0.77 -0.70 0.25 -3.12 0.00 0.00 179.24 176.54 3g6e h LEU 91 N 0.24 0.76 -0.13 1.55 5.85 -1.16 -2.40 115.31 120.01 3g6e h LEU 91 Ca 0.01 -0.47 -0.03 0.00 0.84 0.00 0.00 57.88 58.22 3g6e h LEU 91 Cb 0.97 -0.22 -0.00 0.00 0.37 0.00 0.00 40.66 41.78 3g6e h LEU 91 CO 0.08 1.24 -0.17 -0.07 -0.34 0.00 0.00 178.44 179.18 3g6e h LEU 92 N 0.46 0.00 -0.09 2.25 3.38 -0.97 -1.46 115.31 118.89 3g6e h LEU 92 Ca -0.03 0.00 -0.25 0.00 0.09 0.00 0.00 57.88 57.70 3g6e h LEU 92 Cb 1.29 0.00 0.01 0.00 0.09 0.00 0.00 40.66 42.06 3g6e h LEU 92 CO 0.14 0.17 -0.95 -0.08 0.09 0.00 0.00 178.44 177.80 3g6e h GLU 93 N 0.00 0.66 -0.01 1.13 4.81 -0.93 -2.54 114.58 117.71 3g6e h GLU 93 Ca -0.00 -0.66 -0.00 0.00 -0.13 0.00 0.00 59.36 58.56 3g6e h GLU 93 Cb 1.08 0.18 -0.00 0.00 0.63 0.00 0.00 28.75 30.64 3g6e h GLU 93 CO 0.02 1.26 -0.01 -0.97 -0.73 0.00 0.00 179.01 178.58 3g6e h ASN 94 N 0.40 0.03 -0.41 1.04 -1.24 -1.39 -1.79 115.58 112.22 3g6e h ASN 94 Ca -0.10 -0.50 0.02 0.00 0.71 0.00 0.00 56.30 56.44 3g6e h ASN 94 Cb 1.59 -0.01 -0.03 0.00 0.73 0.00 0.00 38.32 40.61 3g6e h ASN 94 CO 0.18 0.52 0.23 0.00 -1.29 0.00 0.00 177.43 177.07 3g6e h ALA 95 N 0.51 0.51 -0.06 1.57 0.00 -1.34 0.58 119.26 121.04 3g6e h ALA 95 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 54.91 54.80 3g6e h ALA 95 Cb 0.51 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 3g6e h ALA 95 CO 0.00 -0.12 -0.47 0.28 0.00 0.00 0.00 179.25 178.95 3g6e h VAL 96 N 0.46 1.34 -0.35 0.00 2.07 -1.53 -1.81 116.25 116.42 3g6e h VAL 96 Ca 0.17 -1.65 -0.17 0.00 0.82 0.00 0.00 66.70 65.87 3g6e h VAL 96 Cb 0.04 1.82 -0.00 0.00 -1.52 0.00 0.00 31.29 31.63 3g6e h VAL 96 CO -0.10 0.48 -0.45 1.23 0.02 0.00 0.00 177.57 178.76 3g6e h GLY 97 N 1.36 1.00 1.72 2.17 0.00 -0.66 -1.54 103.07 107.11 3g6e h GLY 97 Ca 0.01 -1.07 -0.12 0.00 0.00 0.00 0.00 47.33 46.14 3g6e h GLY 97 CO 0.07 0.97 -0.45 3.43 0.00 0.00 0.00 176.54 180.55 3g6e h ASN 98 N 0.73 0.33 -0.17 0.19 -0.26 -0.78 -2.73 115.58 112.89 3g6e h ASN 98 Ca 0.04 -0.15 -0.05 0.00 -0.56 0.00 0.00 56.30 55.59 3g6e h ASN 98 Cb 1.05 -0.09 -0.00 0.00 -1.06 0.00 0.00 38.32 38.21 3g6e h ASN 98 CO 0.11 0.74 -0.07 0.00 -1.06 0.00 0.00 177.43 177.14 3g6e h ALA 99 N 1.27 0.24 -0.06 -0.83 0.00 -1.18 -2.70 119.26 116.00 3g6e h ALA 99 Ca 0.02 -0.27 -0.08 0.00 0.00 0.00 0.00 54.91 54.58 3g6e h ALA 99 Cb 0.90 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.62 3g6e h ALA 99 CO 0.07 0.05 -0.32 -0.44 0.00 0.00 0.00 179.25 178.61 3g6e h ASP 100 N 0.04 0.11 0.72 0.00 3.32 -1.25 -0.21 116.42 119.15 3g6e h ASP 100 Ca 0.04 -0.03 -0.11 0.00 0.02 0.00 0.00 57.03 56.95 3g6e h ASP 100 Cb 0.55 -0.03 -0.02 0.00 0.22 0.00 0.00 39.33 40.05 3g6e h ASP 100 CO 0.02 0.43 -0.51 -0.74 -1.72 0.00 0.00 179.24 176.72 3g6e h HIS 101 N 0.10 0.00 -0.02 4.55 2.76 -1.45 -2.45 115.15 118.64 3g6e h HIS 101 Ca 0.01 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.18 3g6e h HIS 101 Cb 0.61 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.57 3g6e h HIS 101 CO 0.00 0.51 0.00 1.04 -1.30 0.00 0.00 177.93 178.18 3g6e n GLN 102 N -3.69 1.60 -0.42 5.26 6.02 -0.94 -4.93 117.38 120.28 3g6e n GLN 102 Ca -0.01 -0.88 0.00 0.00 -0.01 0.00 0.00 57.00 56.10 3g6e n GLN 102 Cb 0.56 -1.48 0.00 0.00 1.02 0.00 0.00 30.24 30.35 3g6e n GLN 102 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3g6e n GLY 103 N 1.16 0.79 3.96 1.08 0.00 -0.92 -5.08 105.19 106.18 3g6e n GLY 103 Ca 0.19 -0.02 -0.24 0.00 0.00 0.00 0.00 46.02 45.96 3g6e n GLY 103 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3g6e s PHE 104 N -2.00 2.42 -0.98 1.61 0.40 -0.13 -4.99 117.98 114.32 3g6e s PHE 104 Ca 0.00 0.06 -0.10 0.00 -0.60 0.00 0.00 56.93 56.29 3g6e s PHE 104 Cb 0.00 -3.03 0.25 0.00 0.51 0.00 0.00 43.02 40.74 3g6e s PHE 104 CO 0.00 -1.38 0.94 0.34 0.70 0.00 0.00 175.22 175.81 3g6e s ASP 105 N -4.57 6.90 0.21 1.36 2.15 -1.26 -4.14 116.67 117.32 3g6e s ASP 105 Ca 0.62 -3.30 -0.18 0.00 0.43 0.00 0.00 52.55 50.12 3g6e s ASP 105 Cb -0.09 -2.16 0.19 0.00 -0.30 0.00 0.00 42.92 40.56 3g6e s ASP 105 CO 0.43 -0.37 1.58 1.23 -0.17 0.00 0.00 175.17 177.87 3g6e h GLY 106 N 6.96 0.06 0.95 2.66 0.00 -1.85 -2.79 103.07 109.05 3g6e h GLY 106 Ca 0.15 0.41 0.02 0.00 0.00 0.00 0.00 47.33 47.91 3g6e h GLY 106 CO 0.90 -0.22 0.53 0.83 0.00 0.00 0.00 176.54 178.57 3g6e h GLU 107 N -0.10 1.03 0.00 4.80 5.08 -1.92 -2.73 114.58 120.73 3g6e h GLU 107 Ca 0.28 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.58 3g6e h GLU 107 Cb 0.56 -0.23 0.00 0.00 0.50 0.00 0.00 28.75 29.58 3g6e h GLU 107 CO -0.76 0.68 0.00 0.00 -1.00 0.00 0.00 179.01 177.93 3g6e n ALA 108 N -2.33 2.00 -1.76 3.43 0.00 -1.06 -1.43 120.51 119.36 3g6e n ALA 108 Ca 0.09 -0.08 -0.40 0.00 0.00 0.00 0.00 53.44 53.05 3g6e n ALA 108 Cb 0.05 -1.34 -0.04 0.00 0.00 0.00 0.00 19.45 18.12 3g6e n ALA 108 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 3g6e s MET 109 N -2.86 4.63 0.24 0.00 -1.94 -1.03 -4.68 119.30 113.66 3g6e s MET 109 Ca 0.13 1.78 -0.30 0.00 -1.71 0.00 0.00 55.69 55.59 3g6e s MET 109 Cb 0.14 -3.17 -0.09 0.00 2.01 0.00 0.00 34.83 33.72 3g6e s MET 109 CO 0.36 0.21 0.95 0.99 -0.01 0.00 0.00 175.02 177.52 3g6e s THR 110 N -1.18 4.05 -0.78 2.05 2.01 -0.07 -0.68 115.64 121.04 3g6e s THR 110 Ca 0.45 2.07 -0.26 0.00 0.31 0.00 0.00 61.69 64.26 3g6e s THR 110 Cb -0.31 -4.32 0.04 0.00 0.01 0.00 0.00 72.50 67.92 3g6e s THR 110 CO 0.40 0.49 1.27 -0.63 -0.69 0.00 0.00 174.62 175.46 3g6e s ILE 111 N -1.18 3.83 0.07 1.82 1.01 -0.51 -0.32 121.20 125.92 3g6e s ILE 111 Ca 0.41 0.12 -0.16 0.00 0.00 0.00 0.00 60.65 61.03 3g6e s ILE 111 Cb -0.26 -4.91 -0.14 0.00 0.01 0.00 0.00 42.46 37.15 3g6e s ILE 111 CO 0.32 -1.82 1.31 0.50 0.00 0.00 0.00 174.94 175.25 3g6e h LYS 112 N 9.93 0.63 -3.19 2.79 3.64 -1.42 -2.48 116.57 126.47 3g6e h LYS 112 Ca -0.20 -0.45 -0.17 0.00 -1.27 0.00 0.00 60.65 58.56 3g6e h LYS 112 Cb 1.05 0.07 -0.25 0.00 -0.41 0.00 0.00 32.23 32.68 3g6e h LYS 112 CO 1.29 1.07 -0.44 -1.58 -2.27 0.00 0.00 179.45 177.51 3g6e s HIS 113 N -3.92 -0.23 -0.29 1.91 5.04 -1.03 -4.88 115.29 111.89 3g6e s HIS 113 Ca -0.12 0.56 -0.09 0.00 -1.54 0.00 0.00 55.06 53.87 3g6e s HIS 113 Cb 0.07 0.08 0.13 0.00 0.04 0.00 0.00 32.58 32.90 3g6e s HIS 113 CO 0.84 -0.14 0.61 0.54 -2.34 0.00 0.00 174.74 174.25 3g6e s VAL 114 N -0.02 -0.95 -0.08 0.89 0.11 -1.26 -0.83 120.40 118.27 3g6e s VAL 114 Ca -0.01 0.02 -0.12 0.00 -2.93 0.00 0.00 61.98 58.94 3g6e s VAL 114 Cb -0.02 -0.95 0.03 0.00 -1.53 0.00 0.00 36.38 33.90 3g6e s VAL 114 CO 0.01 0.01 0.31 0.00 -3.33 0.00 0.00 175.10 172.09 3g6e s ALA 115 N 2.85 -0.77 -0.08 1.54 0.00 -1.03 -4.74 121.76 119.54 3g6e s ALA 115 Ca -0.03 0.67 -0.02 0.00 0.00 0.00 0.00 51.96 52.58 3g6e s ALA 115 Cb -0.12 -0.31 -0.03 0.00 0.00 0.00 0.00 23.12 22.65 3g6e s ALA 115 CO -0.18 -0.19 0.01 0.00 0.00 0.00 0.00 175.76 175.40 3g6e s ALA 116 N -0.36 3.34 -0.03 0.00 0.00 -1.26 -1.78 121.76 121.66 3g6e s ALA 116 Ca -0.05 -0.81 0.02 0.00 0.00 0.00 0.00 51.96 51.13 3g6e s ALA 116 Cb -0.03 -1.51 0.01 0.00 0.00 0.00 0.00 23.12 21.58 3g6e s ALA 116 CO 0.02 0.60 -0.10 -1.01 0.00 0.00 0.00 175.76 175.27 3g6e s HIS 117 N -0.92 1.06 -0.50 0.00 3.76 0.38 -4.94 115.29 114.13 3g6e s HIS 117 Ca 0.14 -0.30 -0.25 0.00 -0.15 0.00 0.00 55.06 54.50 3g6e s HIS 117 Cb -0.11 -0.77 0.03 0.00 1.11 0.00 0.00 32.58 32.84 3g6e s HIS 117 CO 0.03 -0.14 0.96 0.21 -0.85 0.00 0.00 174.74 174.96 3g6e s LYS 118 N 0.33 3.47 0.15 1.40 2.20 -1.26 -1.45 119.74 124.58 3g6e s LYS 118 Ca -0.06 0.04 0.24 0.00 -0.36 0.00 0.00 55.97 55.83 3g6e s LYS 118 Cb -0.11 -3.98 0.42 0.00 -1.51 0.00 0.00 37.83 32.66 3g6e s LYS 118 CO 0.01 -1.36 1.41 0.28 -0.36 0.00 0.00 175.35 175.33 3g6e h VAL 119 N 6.07 0.00 0.00 4.02 2.07 -1.47 -3.49 116.25 123.46 3g6e h VAL 119 Ca -0.25 -0.53 0.00 0.00 0.82 0.00 0.00 66.70 66.74 3g6e h VAL 119 Cb 1.07 1.20 0.00 0.00 -1.52 0.00 0.00 31.29 32.04 3g6e h VAL 119 CO 1.07 0.00 0.00 0.61 0.02 0.00 0.00 177.57 179.27 3g6e n GLY 120 N 1.32 -1.64 3.00 2.17 0.00 -1.15 -4.97 105.19 103.91 3g6e n GLY 120 Ca 0.04 -1.25 -0.19 0.00 0.00 0.00 0.00 46.02 44.62 3g6e n GLY 120 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3g6e s GLU 121 N -2.00 0.79 -0.47 1.61 2.02 -1.26 0.27 118.70 119.66 3g6e s GLU 121 Ca 0.00 -0.28 -0.25 0.00 0.02 0.00 0.00 54.97 54.46 3g6e s GLU 121 Cb 0.00 -0.76 0.03 0.00 0.10 0.00 0.00 34.13 33.50 3g6e s GLU 121 CO 0.00 0.13 0.89 -1.14 0.02 0.00 0.00 175.26 175.16 3g6e s GLN 122 N 0.04 3.46 0.31 1.61 0.74 0.93 -4.91 119.66 121.85 3g6e s GLN 122 Ca -0.00 0.02 -0.29 0.00 0.05 0.00 0.00 55.36 55.14 3g6e s GLN 122 Cb -0.06 -3.95 -0.11 0.00 1.10 0.00 0.00 33.01 29.99 3g6e s GLN 122 CO 0.00 -1.23 1.50 -0.65 -0.55 0.00 0.00 175.29 174.35 3g6e s GLN 123 N 3.66 4.18 0.14 1.67 -1.52 -1.26 -1.49 119.66 125.03 3g6e s GLN 123 Ca 0.34 2.48 -0.04 0.00 -1.95 0.00 0.00 55.36 56.19 3g6e s GLN 123 Cb -0.11 -3.03 -0.03 0.00 -0.22 0.00 0.00 33.01 29.62 3g6e s GLN 123 CO 0.24 -0.51 0.13 0.20 -0.25 0.00 0.00 175.29 175.11 3g6e s GLY 124 N 0.17 0.76 -0.03 3.09 0.00 -1.20 -4.92 107.32 105.18 3g6e s GLY 124 Ca 0.58 -1.24 -0.01 0.00 0.00 0.00 0.00 44.72 44.05 3g6e s GLY 124 CO 0.52 -1.17 0.07 -1.60 0.00 0.00 0.00 173.10 170.92 3g6e s ARG 125 N -4.01 0.03 -0.14 2.90 6.06 -1.26 -1.85 118.95 120.68 3g6e s ARG 125 Ca 0.20 0.21 0.02 0.00 -2.50 0.00 0.00 55.73 53.66 3g6e s ARG 125 Cb 0.06 -0.14 0.01 0.00 0.06 0.00 0.00 34.95 34.94 3g6e s ARG 125 CO 0.00 -0.12 -0.21 0.21 -2.50 0.00 0.00 175.30 172.68 3g6e s LYS 126 N 0.78 3.06 0.14 5.12 2.47 0.34 -4.82 119.74 126.83 3g6e s LYS 126 Ca -0.06 -0.84 -0.31 0.00 -1.56 0.00 0.00 55.97 53.20 3g6e s LYS 126 Cb -0.09 -2.46 -0.08 0.00 -1.46 0.00 0.00 37.83 33.74 3g6e s LYS 126 CO -0.03 -0.00 1.37 -2.14 0.16 0.00 0.00 175.35 174.71 3g6e s PRO 127 N 0.80 4.34 0.53 4.03 0.02 -1.26 -1.73 135.00 141.73 3g6e s PRO 127 Ca -0.07 2.07 0.03 0.00 0.02 0.00 0.00 61.00 63.05 3g6e s PRO 127 Cb -0.16 -3.23 0.01 0.00 0.02 0.00 0.00 34.50 31.15 3g6e s PRO 127 CO -0.01 -0.39 0.19 1.03 -0.33 0.00 0.00 177.00 177.50 3g6e s ARG 128 N 0.75 2.23 1.00 5.54 1.81 0.49 -4.93 118.95 125.82 3g6e s ARG 128 Ca 0.62 -2.23 -0.12 0.00 -1.72 0.00 0.00 55.73 52.28 3g6e s ARG 128 Cb -0.37 -1.80 0.19 0.00 -0.45 0.00 0.00 34.95 32.52 3g6e s ARG 128 CO 0.33 -0.50 1.08 0.00 -0.68 0.00 0.00 175.30 175.53 3g6e s ALA 129 N -2.83 0.87 -1.77 2.13 0.00 -1.26 -3.92 121.76 114.98 3g6e s ALA 129 Ca 0.18 -0.21 0.00 0.00 0.00 0.00 0.00 51.96 51.94 3g6e s ALA 129 Cb -0.00 -3.17 0.00 0.00 0.00 0.00 0.00 23.12 19.94 3g6e s ALA 129 CO 0.11 -2.89 0.00 -1.33 0.00 0.00 0.00 175.76 171.65 3g6e n MET 130 N -4.24 -1.23 -1.75 0.00 2.81 -1.26 -3.25 117.12 108.20 3g6e n MET 130 Ca 0.05 1.06 -0.08 0.00 -1.81 0.00 0.00 57.70 56.92 3g6e n MET 130 Cb 0.56 -5.33 -0.02 0.00 -0.71 0.00 0.00 33.22 27.72 3g6e n MET 130 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3g6e n GLY 131 N -0.89 0.45 3.40 3.03 0.00 -1.26 -5.04 105.19 104.88 3g6e n GLY 131 Ca -0.18 -0.61 -0.27 0.00 0.00 0.00 0.00 46.02 44.96 3g6e n GLY 131 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3g6e s ARG 132 N -3.65 1.43 0.07 1.61 3.52 -1.20 -5.03 118.95 115.69 3g6e s ARG 132 Ca 0.00 -1.43 0.07 0.00 -0.13 0.00 0.00 55.73 54.24 3g6e s ARG 132 Cb 0.00 -1.79 -0.03 0.00 -1.56 0.00 0.00 34.95 31.57 3g6e s ARG 132 CO 0.00 0.40 -0.20 0.00 -0.81 0.00 0.00 175.30 174.69 3g6e s ALA 133 N -1.46 1.68 0.26 6.12 0.00 -1.26 -0.38 121.76 126.72 3g6e s ALA 133 Ca 0.17 -1.10 0.04 0.00 0.00 0.00 0.00 51.96 51.07 3g6e s ALA 133 Cb -0.09 -0.28 -0.06 0.00 0.00 0.00 0.00 23.12 22.70 3g6e s ALA 133 CO 0.08 0.35 0.00 -1.54 0.00 0.00 0.00 175.76 174.65 3g6e s SER 134 N -1.47 2.07 0.47 0.00 1.04 -0.70 -4.94 113.70 110.16 3g6e s SER 134 Ca 0.06 -1.25 -0.24 0.00 0.48 0.00 0.00 55.95 55.00 3g6e s SER 134 Cb -0.09 -0.03 -0.07 0.00 0.10 0.00 0.00 66.02 65.92 3g6e s SER 134 CO 0.03 -0.51 1.30 0.00 0.98 0.00 0.00 173.24 175.04 3g6e s ALA 135 N -3.34 3.05 -0.42 5.32 0.00 -1.26 -0.50 121.76 124.61 3g6e s ALA 135 Ca 0.31 1.22 0.07 0.00 0.00 0.00 0.00 51.96 53.55 3g6e s ALA 135 Cb 0.06 -3.50 0.23 0.00 0.00 0.00 0.00 23.12 19.91 3g6e s ALA 135 CO 0.11 -1.00 0.59 1.87 0.00 0.00 0.00 175.76 177.33 3g6e n TRP 136 N -0.42 -1.38 -3.57 0.00 -0.00 -0.77 -4.66 117.44 106.64 3g6e n TRP 136 Ca 0.07 -2.96 -0.23 0.00 -0.00 0.00 0.00 57.50 54.38 3g6e n TRP 136 Cb 0.45 0.32 -0.01 0.00 -0.00 0.00 0.00 31.31 32.06 3g6e n TRP 136 CO 0.00 0.00 0.00 -0.80 -0.00 0.00 0.00 177.69 176.89 3g6e s ASN 137 N -0.93 6.30 -0.13 5.87 0.01 -1.26 -3.28 114.94 121.52 3g6e s ASN 137 Ca 0.34 0.33 0.01 0.00 -0.71 0.00 0.00 52.86 52.82 3g6e s ASN 137 Cb 0.15 -1.98 -0.01 0.00 0.41 0.00 0.00 41.25 39.82 3g6e s ASN 137 CO -0.15 -0.22 -0.16 -0.44 -1.51 0.00 0.00 177.10 174.62 3g6e s SER 138 N -4.01 3.75 0.26 -1.22 0.01 -0.56 -4.95 113.70 106.97 3g6e s SER 138 Ca 0.38 -0.41 -0.30 0.00 1.31 0.00 0.00 55.95 56.94 3g6e s SER 138 Cb -0.09 -1.56 -0.09 0.00 0.21 0.00 0.00 66.02 64.48 3g6e s SER 138 CO 0.34 0.14 1.11 -2.84 0.41 0.00 0.00 173.24 172.40 3g6e s PRO 139 N 0.47 4.62 -0.30 12.44 0.02 -1.26 -0.05 135.00 150.94 3g6e s PRO 139 Ca -0.11 1.80 -0.09 0.00 0.02 0.00 0.00 61.00 62.63 3g6e s PRO 139 Cb -0.16 -3.20 -0.01 0.00 0.02 0.00 0.00 34.50 31.15 3g6e s PRO 139 CO 0.05 0.16 0.12 -0.65 -0.33 0.00 0.00 177.00 176.35 3g6e s GLN 140 N -1.19 3.35 -0.04 5.54 -0.21 0.14 -3.33 119.66 123.92 3g6e s GLN 140 Ca 0.46 -0.70 0.03 0.00 0.02 0.00 0.00 55.36 55.17 3g6e s GLN 140 Cb -0.32 -3.48 -0.03 0.00 1.00 0.00 0.00 33.01 30.18 3g6e s GLN 140 CO 0.40 -0.38 -0.13 0.08 -2.12 0.00 0.00 175.29 173.15 3g6e s VAL 141 N 1.59 3.21 -0.01 1.09 1.01 0.82 -1.07 120.40 127.04 3g6e s VAL 141 Ca 0.05 -0.71 0.06 0.00 0.00 0.00 0.00 61.98 61.38 3g6e s VAL 141 Cb -0.17 -2.29 -0.03 0.00 0.00 0.00 0.00 36.38 33.90 3g6e s VAL 141 CO 0.05 0.56 -0.20 -1.81 0.00 0.00 0.00 175.10 173.70 3g6e s ASP 142 N -0.85 3.60 -0.06 3.32 1.11 -0.53 -0.22 116.67 123.04 3g6e s ASP 142 Ca 0.12 -0.38 -0.02 0.00 0.18 0.00 0.00 52.55 52.45 3g6e s ASP 142 Cb -0.11 -0.58 0.04 0.00 1.07 0.00 0.00 42.92 43.34 3g6e s ASP 142 CO 0.02 0.31 0.13 0.54 1.18 0.00 0.00 175.17 177.34 3g6e s VAL 143 N -0.76 -0.11 0.05 -1.27 0.11 -0.97 -0.47 120.40 116.99 3g6e s VAL 143 Ca 0.12 0.24 -0.04 0.00 -2.93 0.00 0.00 61.98 59.37 3g6e s VAL 143 Cb -0.10 -0.23 -0.05 0.00 -1.53 0.00 0.00 36.38 34.47 3g6e s VAL 143 CO 0.01 0.10 0.28 -1.83 -3.33 0.00 0.00 175.10 170.33 3g6e s GLU 144 N 1.50 3.55 -0.07 1.54 -1.05 -0.74 -1.35 118.70 122.09 3g6e s GLU 144 Ca -0.05 -0.17 -0.03 0.00 -0.15 0.00 0.00 54.97 54.57 3g6e s GLU 144 Cb -0.12 -3.01 0.04 0.00 -0.44 0.00 0.00 34.13 30.60 3g6e s GLU 144 CO -0.05 0.60 0.15 -1.17 0.95 0.00 0.00 175.26 175.74 3g6e s LEU 145 N -2.15 0.61 -0.20 1.83 2.96 -0.19 -2.48 118.68 119.05 3g6e s LEU 145 Ca 0.32 0.32 0.01 0.00 -0.22 0.00 0.00 54.13 54.56 3g6e s LEU 145 Cb -0.13 0.37 0.04 0.00 0.50 0.00 0.00 46.19 46.98 3g6e s LEU 145 CO 0.21 -0.16 -0.13 -0.63 -1.32 0.00 0.00 176.35 174.32 3g6e s ILE 146 N 1.31 1.84 -0.00 6.68 1.01 -0.01 -1.39 121.20 130.64 3g6e s ILE 146 Ca -0.08 -1.09 -0.10 0.00 0.00 0.00 0.00 60.65 59.38 3g6e s ILE 146 Cb -0.12 -1.84 -0.05 0.00 0.01 0.00 0.00 42.46 40.46 3g6e s ILE 146 CO -0.06 0.23 0.32 -0.76 0.00 0.00 0.00 174.94 174.67 3g6e s LEU 147 N 1.32 4.40 0.07 2.97 1.43 0.11 -1.03 118.68 127.96 3g6e s LEU 147 Ca -0.01 0.72 0.03 0.00 -1.03 0.00 0.00 54.13 53.84 3g6e s LEU 147 Cb -0.16 -2.60 -0.03 0.00 0.03 0.00 0.00 46.19 43.43 3g6e s LEU 147 CO -0.09 0.29 -0.10 -0.70 0.23 0.00 0.00 176.35 175.98 3g6e s GLU 148 N -1.45 0.72 0.26 1.70 2.12 0.56 -1.29 118.70 121.32 3g6e s GLU 148 Ca 0.25 -0.98 -0.30 0.00 0.36 0.00 0.00 54.97 54.31 3g6e s GLU 148 Cb -0.14 -0.48 -0.10 0.00 0.26 0.00 0.00 34.13 33.67 3g6e s GLU 148 CO 0.13 0.08 1.31 -1.21 -0.54 0.00 0.00 175.26 175.04 3g6e s GLU 149 N -2.20 4.38 0.00 4.30 2.02 -1.01 -0.90 118.70 125.29 3g6e s GLU 149 Ca -0.01 2.13 0.04 0.00 0.02 0.00 0.00 54.97 57.15 3g6e s GLU 149 Cb -0.06 -3.14 0.25 0.00 0.10 0.00 0.00 34.13 31.27 3g6e s GLU 149 CO 0.00 -0.22 0.72 -2.30 0.02 0.00 0.00 175.26 173.48