#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1veh n SER 2 N 0.00 -7.81 -3.75 1.61 7.64 -1.26 -5.06 113.62 105.00 1veh n SER 2 Ca 0.00 1.06 -0.12 0.00 1.01 0.00 0.00 58.87 60.81 1veh n SER 2 Cb 0.00 -3.78 -0.12 0.00 -1.01 0.00 0.00 64.21 59.30 1veh n SER 2 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1veh s SER 3 N -1.65 -0.28 0.16 6.43 1.04 -1.26 -5.09 113.70 113.06 1veh s SER 3 Ca 0.00 0.54 0.00 0.00 0.48 0.00 0.00 55.95 56.97 1veh s SER 3 Cb 0.00 0.47 0.00 0.00 0.10 0.00 0.00 66.02 66.59 1veh s SER 3 CO 0.00 -0.14 0.00 0.61 0.98 0.00 0.00 173.24 174.69 1veh n GLY 4 N 3.74 -4.12 0.25 7.32 0.00 -1.26 -4.92 105.19 106.19 1veh n GLY 4 Ca -0.20 -0.71 -0.11 0.00 0.00 0.00 0.00 46.02 45.00 1veh n GLY 4 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1veh h SER 5 N 1.40 -0.48 -5.18 1.61 0.02 -2.05 -3.49 113.55 105.38 1veh h SER 5 Ca 0.00 -0.06 0.00 0.00 -0.84 0.00 0.00 61.79 60.89 1veh h SER 5 Cb 0.00 0.12 -0.03 0.00 0.14 0.00 0.00 62.40 62.64 1veh h SER 5 CO 0.00 -0.04 -1.11 -1.20 -1.14 0.00 0.00 176.83 173.34 1veh n SER 6 N -5.16 -6.52 -0.66 3.07 7.64 -1.26 -4.88 113.62 105.85 1veh n SER 6 Ca -0.08 1.38 0.00 0.00 1.01 0.00 0.00 58.87 61.18 1veh n SER 6 Cb 0.26 -5.16 0.00 0.00 -1.01 0.00 0.00 64.21 58.30 1veh n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1veh n GLY 7 N 0.94 -3.61 3.47 0.23 0.00 -1.26 -4.98 105.19 99.98 1veh n GLY 7 Ca -0.08 -0.72 -0.41 0.00 0.00 0.00 0.00 46.02 44.81 1veh n GLY 7 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1veh s SER 8 N -0.03 5.94 -0.46 1.61 0.01 -1.26 -4.70 113.70 114.81 1veh s SER 8 Ca 0.00 -0.68 -0.35 0.00 1.31 0.00 0.00 55.95 56.24 1veh s SER 8 Cb 0.00 -2.10 0.05 0.00 0.21 0.00 0.00 66.02 64.18 1veh s SER 8 CO 0.00 -0.32 0.63 -0.62 0.41 0.00 0.00 173.24 173.35 1veh n GLU 9 N 5.08 -1.81 -3.29 12.44 1.02 -1.26 -4.95 120.64 127.87 1veh n GLU 9 Ca -0.12 1.30 -0.24 0.00 -0.02 0.00 0.00 57.16 58.08 1veh n GLU 9 Cb 0.48 -1.92 -0.08 0.00 -0.02 0.00 0.00 31.44 29.90 1veh n GLU 9 CO 0.00 0.00 0.00 -1.91 1.18 0.00 0.00 177.13 176.40 1veh n GLU 10 N -0.40 0.25 -3.27 3.49 2.13 -1.26 -5.12 120.64 116.46 1veh n GLU 10 Ca -0.11 -3.01 -0.37 0.00 0.66 0.00 0.00 57.16 54.33 1veh n GLU 10 Cb 0.66 -1.62 -0.06 0.00 0.27 0.00 0.00 31.44 30.69 1veh n GLU 10 CO 0.00 0.00 0.00 0.16 -0.41 0.00 0.00 177.13 176.88 1veh s ASP 11 N 0.11 6.98 0.00 4.31 -4.77 -1.26 -5.08 116.67 116.96 1veh s ASP 11 Ca 0.33 1.22 0.00 0.00 -3.30 0.00 0.00 52.55 50.80 1veh s ASP 11 Cb 0.04 -2.34 0.00 0.00 -1.09 0.00 0.00 42.92 39.53 1veh s ASP 11 CO -0.18 0.17 0.00 -0.67 0.70 0.00 0.00 175.17 175.20 1veh n ASP 12 N 1.22 0.00 0.08 2.11 2.03 -1.26 -4.97 116.55 115.76 1veh n ASP 12 Ca -0.07 0.00 0.03 0.00 0.52 0.00 0.00 54.79 55.27 1veh n ASP 12 Cb 0.51 0.00 -0.03 0.00 -0.72 0.00 0.00 41.12 40.88 1veh n ASP 12 CO 0.00 0.00 0.00 -0.33 -1.92 0.00 0.00 177.20 174.95 1veh h GLU 13 N 0.00 0.00 0.04 -0.67 5.08 -2.00 -3.28 114.58 113.74 1veh h GLU 13 Ca 0.00 0.00 -0.26 0.00 -1.00 0.00 0.00 59.36 58.10 1veh h GLU 13 Cb 0.00 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.26 1veh h GLU 13 CO 0.00 0.27 -1.07 -0.24 -1.00 0.00 0.00 179.01 176.96 1veh h VAL 14 N 0.00 1.35 0.69 3.13 3.04 -2.00 -3.20 116.25 119.26 1veh h VAL 14 Ca -0.09 -2.45 -0.03 0.00 -1.01 0.00 0.00 66.70 63.12 1veh h VAL 14 Cb 1.39 2.52 -0.01 0.00 -2.01 0.00 0.00 31.29 33.18 1veh h VAL 14 CO 0.04 0.74 -0.51 0.58 -1.01 0.00 0.00 177.57 177.41 1veh h VAL 15 N 0.27 0.00 -1.44 1.51 2.07 -1.94 -0.02 116.25 116.70 1veh h VAL 15 Ca -0.12 0.00 0.42 0.00 0.82 0.00 0.00 66.70 67.81 1veh h VAL 15 Cb 1.73 0.00 -0.06 0.00 -1.52 0.00 0.00 31.29 31.44 1veh h VAL 15 CO 0.20 0.00 1.03 0.00 0.02 0.00 0.00 177.57 178.82 1veh h ALA 16 N -1.06 3.35 0.36 1.67 0.00 -1.66 0.30 119.26 122.21 1veh h ALA 16 Ca -0.09 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.76 1veh h ALA 16 Cb 0.94 0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.85 1veh h ALA 16 CO 0.04 -1.76 -0.17 1.98 0.00 0.00 0.00 179.25 179.33 1veh h MET 17 N 0.01 -0.47 -0.98 0.00 4.05 -1.08 -3.15 114.93 113.32 1veh h MET 17 Ca 0.69 0.03 0.19 0.00 -0.28 0.00 0.00 59.70 60.33 1veh h MET 17 Cb 2.74 0.11 -0.11 0.00 -0.80 0.00 0.00 31.60 33.54 1veh h MET 17 CO -0.02 -0.31 0.57 0.82 0.23 0.00 0.00 176.91 178.20 1veh h ILE 18 N -0.95 0.69 -0.82 1.77 2.04 0.78 0.25 117.51 121.26 1veh h ILE 18 Ca -0.05 -0.25 0.20 0.00 1.00 0.00 0.00 64.86 65.77 1veh h ILE 18 Cb 0.37 -0.09 -0.13 0.00 -0.74 0.00 0.00 36.82 36.23 1veh h ILE 18 CO 0.08 0.13 0.22 0.11 0.00 0.00 0.00 178.15 178.69 1veh h LYS 19 N 0.72 0.24 0.48 2.37 1.57 -0.57 0.36 116.57 121.75 1veh h LYS 19 Ca 0.57 -0.01 -0.02 0.00 -1.87 0.00 0.00 60.65 59.31 1veh h LYS 19 Cb 0.89 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 33.15 1veh h LYS 19 CO -0.39 0.16 -0.23 1.49 -0.57 0.00 0.00 179.45 179.91 1veh h GLU 20 N 0.25 -0.62 -0.07 3.15 4.81 -0.48 -0.56 114.58 121.05 1veh h GLU 20 Ca 0.50 0.04 0.02 0.00 -0.13 0.00 0.00 59.36 59.79 1veh h GLU 20 Cb 0.93 0.14 -0.00 0.00 0.63 0.00 0.00 28.75 30.45 1veh h GLU 20 CO -0.59 -0.32 0.45 1.25 -0.73 0.00 0.00 179.01 179.07 1veh h LEU 21 N -0.92 0.00 0.15 1.64 6.46 -0.67 2.46 115.31 124.42 1veh h LEU 21 Ca -0.07 0.00 -0.33 0.00 -0.12 0.00 0.00 57.88 57.37 1veh h LEU 21 Cb 0.59 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.52 1veh h LEU 21 CO 0.11 0.00 -1.62 -0.07 -0.62 0.00 0.00 178.44 176.24 1veh h LEU 22 N 0.00 0.50 0.15 2.25 -0.00 0.21 -3.35 115.31 115.07 1veh h LEU 22 Ca 0.03 -0.71 -0.30 0.00 -0.00 0.00 0.00 57.88 56.91 1veh h LEU 22 Cb 0.93 -0.16 0.01 0.00 -0.00 0.00 0.00 40.66 41.43 1veh h LEU 22 CO -0.00 1.59 -1.38 0.44 -0.00 0.00 0.00 178.44 179.09 1veh h ASP 23 N 0.09 0.50 0.00 -0.43 5.19 0.27 1.15 116.42 123.19 1veh h ASP 23 Ca -0.28 -0.57 0.00 0.00 -0.62 0.00 0.00 57.03 55.56 1veh h ASP 23 Cb 2.06 -0.16 0.00 0.00 0.18 0.00 0.00 39.33 41.41 1veh h ASP 23 CO 0.17 1.46 0.00 0.35 -3.12 0.00 0.00 179.24 178.10 1veh n THR 24 N -3.54 0.00 -2.74 0.35 -2.24 0.74 -4.34 114.28 102.51 1veh n THR 24 Ca -0.12 0.54 -0.04 0.00 -2.27 0.00 0.00 64.05 62.15 1veh n THR 24 Cb 1.05 -0.94 0.05 0.00 -2.10 0.00 0.00 70.33 68.39 1veh n THR 24 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1veh n ARG 25 N -0.29 1.41 0.00 -0.78 1.74 -1.26 -4.79 116.66 112.70 1veh n ARG 25 Ca 0.00 -3.06 0.00 0.00 -0.77 0.00 0.00 57.85 54.02 1veh n ARG 25 Cb 0.00 -1.14 0.00 0.00 -1.02 0.00 0.00 32.46 30.30 1veh n ARG 25 CO 0.00 0.00 0.00 -0.89 -1.52 0.00 0.00 177.63 175.22 1veh n ILE 26 N -0.46 0.04 -0.04 0.55 5.41 -1.16 -4.45 119.36 119.25 1veh n ILE 26 Ca 0.05 0.01 -0.14 0.00 1.00 0.00 0.00 62.75 63.67 1veh n ILE 26 Cb 0.82 -1.47 -0.11 0.00 -0.71 0.00 0.00 39.64 38.16 1veh n ILE 26 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 176.55 176.46 1veh h ARG 27 N 0.00 0.06 0.00 0.38 2.43 0.11 -2.53 114.38 114.84 1veh h ARG 27 Ca 0.00 -0.06 0.00 0.00 -0.81 0.00 0.00 59.98 59.11 1veh h ARG 27 Cb 0.94 0.02 0.00 0.00 -0.42 0.00 0.00 29.97 30.51 1veh h ARG 27 CO 0.00 0.80 0.00 -0.35 -1.51 0.00 0.00 179.97 178.91 1veh n PRO 28 N -4.66 0.75 -0.10 0.20 -0.04 -1.26 -1.38 135.00 128.52 1veh n PRO 28 Ca -0.09 0.00 -0.22 0.00 -0.04 0.00 0.00 63.50 63.14 1veh n PRO 28 Cb 0.41 -1.45 -0.12 0.00 -0.04 0.00 0.00 33.50 32.30 1veh n PRO 28 CO 0.00 0.00 0.00 2.41 -0.04 0.00 0.00 175.50 177.87 1veh n THR 29 N -0.95 1.56 0.09 0.52 -1.04 -1.19 -3.95 114.28 109.32 1veh n THR 29 Ca 0.16 -0.47 -0.14 0.00 -2.04 0.00 0.00 64.05 61.56 1veh n THR 29 Cb 0.08 -1.68 -0.09 0.00 -1.82 0.00 0.00 70.33 66.82 1veh n THR 29 CO 0.00 0.00 0.00 -0.37 -0.64 0.00 0.00 175.07 174.06 1veh h VAL 30 N -0.37 1.48 0.00 12.58 -1.51 -1.34 -3.08 116.25 124.01 1veh h VAL 30 Ca -0.56 -2.82 -0.00 0.00 -1.23 0.00 0.00 66.70 62.09 1veh h VAL 30 Cb 1.78 2.71 -0.00 0.00 -2.13 0.00 0.00 31.29 33.65 1veh h VAL 30 CO -0.16 0.83 -0.02 0.06 -1.23 0.00 0.00 177.57 177.05 1veh h GLN 31 N 0.12 0.00 0.00 5.19 3.07 -1.35 0.21 115.11 122.36 1veh h GLN 31 Ca -0.10 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.64 1veh h GLN 31 Cb 1.77 0.00 0.00 0.00 0.08 0.00 0.00 27.48 29.33 1veh h GLN 31 CO 0.18 0.02 0.00 -1.91 0.09 0.00 0.00 178.83 177.20 1veh n GLU 32 N -3.20 0.04 -0.09 0.06 2.13 -1.16 -3.46 120.64 114.97 1veh n GLU 32 Ca -0.02 0.25 -0.09 0.00 0.66 0.00 0.00 57.16 57.97 1veh n GLU 32 Cb 0.16 -1.57 -0.03 0.00 0.27 0.00 0.00 31.44 30.27 1veh n GLU 32 CO 0.00 0.00 0.00 -3.47 -0.41 0.00 0.00 177.13 173.25 1veh n ASP 33 N -1.65 1.91 0.00 4.31 2.03 0.05 -5.07 116.55 118.13 1veh n ASP 33 Ca 0.04 0.40 0.00 0.00 0.52 0.00 0.00 54.79 55.75 1veh n ASP 33 Cb 0.20 -0.78 0.00 0.00 -0.72 0.00 0.00 41.12 39.83 1veh n ASP 33 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1veh n GLY 34 N 1.49 -1.81 0.00 0.27 0.00 -1.13 -5.15 105.19 98.87 1veh n GLY 34 Ca -0.14 0.61 0.00 0.00 0.00 0.00 0.00 46.02 46.49 1veh n GLY 34 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1veh n GLY 35 N 0.00 -3.30 3.60 -0.02 0.00 -1.23 -4.84 105.19 99.40 1veh n GLY 35 Ca 0.00 -1.12 -0.12 0.00 0.00 0.00 0.00 46.02 44.79 1veh n GLY 35 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1veh s ASP 36 N -2.03 -0.52 -0.17 1.61 2.15 -1.26 -3.94 116.67 112.51 1veh s ASP 36 Ca 0.00 0.83 -0.10 0.00 0.43 0.00 0.00 52.55 53.71 1veh s ASP 36 Cb 0.00 0.78 -0.05 0.00 -0.30 0.00 0.00 42.92 43.36 1veh s ASP 36 CO 0.00 -0.29 0.17 0.54 -0.17 0.00 0.00 175.17 175.42 1veh s VAL 37 N -0.32 5.40 -0.19 1.11 0.11 -1.26 -3.60 120.40 121.64 1veh s VAL 37 Ca -0.01 0.29 -0.04 0.00 -2.93 0.00 0.00 61.98 59.29 1veh s VAL 37 Cb -0.03 -3.49 0.06 0.00 -1.53 0.00 0.00 36.38 31.39 1veh s VAL 37 CO -0.00 0.48 0.06 -0.63 -3.33 0.00 0.00 175.10 171.68 1veh s ILE 38 N 0.02 0.26 -0.56 7.04 1.09 -1.25 -4.88 121.20 122.91 1veh s ILE 38 Ca 0.12 -0.44 -0.28 0.00 -1.10 0.00 0.00 60.65 58.95 1veh s ILE 38 Cb -0.12 -0.87 0.00 0.00 -1.06 0.00 0.00 42.46 40.42 1veh s ILE 38 CO 0.01 -0.28 1.55 -0.47 -0.10 0.00 0.00 174.94 175.65 1veh s TYR 39 N 1.97 2.08 -0.43 3.97 5.04 -1.26 -1.29 117.35 127.44 1veh s TYR 39 Ca 0.01 0.53 0.02 0.00 -2.44 0.00 0.00 57.07 55.19 1veh s TYR 39 Cb -0.17 -4.31 0.13 0.00 0.35 0.00 0.00 41.96 37.97 1veh s TYR 39 CO -0.10 -2.17 0.22 1.03 -1.34 0.00 0.00 175.55 173.18 1veh s ARG 40 N 5.91 1.28 0.00 4.97 1.81 0.16 -4.97 118.95 128.10 1veh s ARG 40 Ca 0.58 -1.94 0.00 0.00 -1.72 0.00 0.00 55.73 52.65 1veh s ARG 40 Cb -0.12 -2.40 0.00 0.00 -0.45 0.00 0.00 34.95 31.98 1veh s ARG 40 CO 0.24 -1.13 0.00 0.41 -0.68 0.00 0.00 175.30 174.14 1veh n GLY 41 N 3.69 2.81 2.69 -3.53 0.00 -1.26 -4.58 105.19 105.01 1veh n GLY 41 Ca 0.07 -1.44 -0.21 0.00 0.00 0.00 0.00 46.02 44.44 1veh n GLY 41 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1veh s PHE 42 N -0.43 -0.09 0.05 1.61 2.19 -1.26 0.24 117.98 120.28 1veh s PHE 42 Ca 0.00 -0.05 0.01 0.00 0.33 0.00 0.00 56.93 57.22 1veh s PHE 42 Cb 0.00 -0.51 -0.03 0.00 -1.31 0.00 0.00 43.02 41.17 1veh s PHE 42 CO 0.00 -0.60 -0.05 -2.00 1.83 0.00 0.00 175.22 174.40 1veh s GLU 43 N 2.25 0.52 0.00 10.12 2.12 -1.11 -4.79 118.70 127.81 1veh s GLU 43 Ca 0.05 -0.88 0.00 0.00 0.36 0.00 0.00 54.97 54.51 1veh s GLU 43 Cb -0.16 -0.08 0.00 0.00 0.26 0.00 0.00 34.13 34.16 1veh s GLU 43 CO -0.13 -0.02 0.00 -0.25 -0.54 0.00 0.00 175.26 174.32 1veh n ASP 44 N 1.05 -0.98 0.00 -1.70 8.00 -1.26 0.11 116.55 121.78 1veh n ASP 44 Ca -0.20 0.49 0.00 0.00 0.71 0.00 0.00 54.79 55.79 1veh n ASP 44 Cb 0.57 -0.98 0.00 0.00 -0.02 0.00 0.00 41.12 40.69 1veh n ASP 44 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1veh n GLY 45 N -0.49 1.63 3.50 0.44 0.00 -1.26 -4.44 105.19 104.57 1veh n GLY 45 Ca 0.00 -0.22 -0.41 0.00 0.00 0.00 0.00 46.02 45.39 1veh n GLY 45 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1veh n ILE 46 N 0.00 -0.01 -2.53 -0.61 2.08 0.31 -3.63 119.36 114.98 1veh n ILE 46 Ca 0.00 -0.20 -0.43 0.00 0.56 0.00 0.00 62.75 62.68 1veh n ILE 46 Cb 0.00 -1.09 -0.02 0.00 -0.75 0.00 0.00 39.64 37.77 1veh n ILE 46 CO 0.00 0.00 0.00 -0.69 0.56 0.00 0.00 176.55 176.42 1veh s VAL 47 N 9.56 4.16 -0.09 1.39 1.01 -0.61 -2.76 120.40 133.05 1veh s VAL 47 Ca 1.25 1.22 -0.30 0.00 0.00 0.00 0.00 61.98 64.16 1veh s VAL 47 Cb -1.00 -4.44 -0.04 0.00 0.00 0.00 0.00 36.38 30.91 1veh s VAL 47 CO 0.44 -0.83 1.46 -0.13 0.00 0.00 0.00 175.10 176.05 1veh s ARG 48 N 4.44 4.21 0.04 2.72 0.52 0.14 -3.05 118.95 127.98 1veh s ARG 48 Ca 0.52 1.94 0.04 0.00 -0.52 0.00 0.00 55.73 57.71 1veh s ARG 48 Cb -0.10 -3.85 -0.02 0.00 0.52 0.00 0.00 34.95 31.50 1veh s ARG 48 CO 0.29 -0.76 -0.12 -0.51 0.02 0.00 0.00 175.30 174.23 1veh s LEU 49 N 3.63 2.18 -0.88 2.53 1.43 0.04 0.37 118.68 127.97 1veh s LEU 49 Ca 0.65 -0.45 0.00 0.00 -1.03 0.00 0.00 54.13 53.30 1veh s LEU 49 Cb -0.28 -0.46 0.30 0.00 0.03 0.00 0.00 46.19 45.77 1veh s LEU 49 CO 0.23 -0.03 1.26 1.17 0.23 0.00 0.00 176.35 179.21 1veh n LYS 50 N 1.85 3.92 -3.83 1.70 4.81 -0.41 -0.22 118.16 125.98 1veh n LYS 50 Ca -0.19 -4.65 -0.31 0.00 -0.87 0.00 0.00 58.31 52.29 1veh n LYS 50 Cb 0.55 -2.40 -0.04 0.00 0.02 0.00 0.00 35.03 33.16 1veh n LYS 50 CO 0.00 0.00 0.00 -0.48 1.17 0.00 0.00 177.40 178.09 1veh s LEU 51 N -3.04 4.33 -0.10 3.14 -0.00 -1.24 -3.97 118.68 117.81 1veh s LEU 51 Ca 0.37 0.39 -0.13 0.00 -0.00 0.00 0.00 54.13 54.76 1veh s LEU 51 Cb 0.13 -3.07 0.03 0.00 -0.00 0.00 0.00 46.19 43.28 1veh s LEU 51 CO 0.01 0.13 0.35 -1.58 -0.00 0.00 0.00 176.35 175.26 1veh s GLN 52 N -2.53 0.48 0.00 1.48 0.74 -1.26 -4.90 119.66 113.68 1veh s GLN 52 Ca 0.37 0.32 0.00 0.00 0.05 0.00 0.00 55.36 56.10 1veh s GLN 52 Cb -0.13 0.23 0.00 0.00 1.10 0.00 0.00 33.01 34.21 1veh s GLN 52 CO 0.26 -0.08 0.00 0.41 -0.55 0.00 0.00 175.29 175.33 1veh n GLY 53 N 2.48 0.73 0.13 2.59 0.00 -1.26 -3.50 105.19 106.36 1veh n GLY 53 Ca -0.15 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.69 1veh n GLY 53 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1veh n SER 54 N 0.00 1.79 -0.86 1.61 2.88 -1.26 -4.92 113.62 112.86 1veh n SER 54 Ca 0.00 0.09 0.00 0.00 -1.33 0.00 0.00 58.87 57.63 1veh n SER 54 Cb 0.00 -0.48 0.00 0.00 -0.75 0.00 0.00 64.21 62.98 1veh n SER 54 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1veh n THR 56 N -1.46 0.74 -0.34 0.00 5.66 -1.26 -4.73 114.28 112.89 1veh n THR 56 Ca 0.00 -0.87 0.05 0.00 -3.05 0.00 0.00 64.05 60.18 1veh n THR 56 Cb 0.12 0.66 0.12 0.00 -1.55 0.00 0.00 70.33 69.68 1veh n THR 56 CO 0.00 0.00 0.00 -0.24 -3.05 0.00 0.00 175.07 171.78 1veh n SER 57 N 0.06 -0.37 -3.93 1.09 2.88 -1.26 -4.33 113.62 107.76 1veh n SER 57 Ca 0.05 1.63 -0.15 0.00 -1.33 0.00 0.00 58.87 59.07 1veh n SER 57 Cb 0.28 -0.48 -0.15 0.00 -0.75 0.00 0.00 64.21 63.11 1veh n SER 57 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1veh h PRO 59 N 6.15 0.34 -0.29 0.00 0.13 -1.94 -3.29 132.00 133.10 1veh h PRO 59 Ca -0.28 -0.33 0.04 0.00 -0.87 0.00 0.00 66.00 64.55 1veh h PRO 59 Cb 1.19 0.08 -0.07 0.00 0.13 0.00 0.00 31.00 32.34 1veh h PRO 59 CO 0.50 1.00 -0.50 0.77 -0.23 0.00 0.00 178.00 179.54 1veh h SER 60 N 0.21 -1.64 -0.99 1.44 0.02 -1.96 0.96 113.55 111.58 1veh h SER 60 Ca -0.05 0.21 0.23 0.00 -0.84 0.00 0.00 61.79 61.34 1veh h SER 60 Cb 1.44 0.66 -0.12 0.00 0.14 0.00 0.00 62.40 64.52 1veh h SER 60 CO 0.14 -0.39 0.58 -1.28 -1.14 0.00 0.00 176.83 174.74 1veh h SER 61 N -0.41 0.67 0.72 3.07 0.87 -1.98 1.52 113.55 118.01 1veh h SER 61 Ca 0.05 0.13 -0.04 0.00 -1.23 0.00 0.00 61.79 60.71 1veh h SER 61 Cb 0.56 0.03 0.01 0.00 -0.44 0.00 0.00 62.40 62.55 1veh h SER 61 CO -0.49 0.13 -0.35 0.40 -0.53 0.00 0.00 176.83 175.99 1veh h ILE 62 N 0.60 0.06 0.00 2.23 2.04 -0.62 0.87 117.51 122.69 1veh h ILE 62 Ca 0.63 -0.27 0.00 0.00 1.00 0.00 0.00 64.86 66.21 1veh h ILE 62 Cb 1.15 0.08 0.00 0.00 -0.74 0.00 0.00 36.82 37.31 1veh h ILE 62 CO -0.46 0.01 0.00 -0.38 0.00 0.00 0.00 178.15 177.32 1veh n ILE 63 N -5.42 1.20 -0.08 -0.67 5.41 0.30 0.18 119.36 120.28 1veh n ILE 63 Ca -0.12 0.60 -0.10 0.00 1.00 0.00 0.00 62.75 64.12 1veh n ILE 63 Cb 0.39 -1.58 -0.06 0.00 -0.71 0.00 0.00 39.64 37.69 1veh n ILE 63 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 176.55 177.29 1veh h THR 64 N 0.00 0.48 0.00 1.39 2.02 0.26 -3.33 112.91 113.73 1veh h THR 64 Ca 0.00 -1.52 0.00 0.00 0.77 0.00 0.00 66.41 65.66 1veh h THR 64 Cb 0.06 1.06 0.00 0.00 -1.74 0.00 0.00 68.15 67.53 1veh h THR 64 CO 0.00 0.16 -0.61 0.18 0.37 0.00 0.00 175.52 175.62 1veh n LEU 65 N -4.58 1.70 -0.31 2.58 4.77 0.30 -2.46 117.00 118.99 1veh n LEU 65 Ca -0.14 0.51 -0.08 0.00 -0.03 0.00 0.00 56.01 56.26 1veh n LEU 65 Cb 0.38 -0.80 -0.07 0.00 -2.33 0.00 0.00 43.42 40.59 1veh n LEU 65 CO 0.14 -0.42 0.48 1.17 -1.33 0.00 0.00 177.39 177.44 1veh n LYS 66 N -4.38 -0.33 -0.04 3.23 0.00 0.48 0.18 118.16 117.29 1veh n LYS 66 Ca -0.09 1.38 -0.12 0.00 0.00 0.00 0.00 58.31 59.49 1veh n LYS 66 Cb 0.32 -2.03 -0.06 0.00 0.00 0.00 0.00 35.03 33.26 1veh n LYS 66 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.40 178.43 1veh h SER 67 N 0.00 0.24 -0.45 3.14 0.87 -0.89 -2.02 113.55 114.44 1veh h SER 67 Ca 0.12 -0.27 0.07 0.00 -1.23 0.00 0.00 61.79 60.48 1veh h SER 67 Cb 0.30 -0.06 -0.09 0.00 -0.44 0.00 0.00 62.40 62.11 1veh h SER 67 CO -0.70 0.44 -0.44 1.23 -0.53 0.00 0.00 176.83 176.83 1veh h GLY 68 N 0.02 -0.57 0.52 5.77 0.00 -0.63 0.45 103.07 108.63 1veh h GLY 68 Ca 0.04 0.57 -0.02 0.00 0.00 0.00 0.00 47.33 47.92 1veh h GLY 68 CO 0.00 -0.17 -0.42 -2.22 0.00 0.00 0.00 176.54 173.73 1veh h ILE 69 N -0.31 0.00 -0.94 2.60 2.04 0.19 -0.20 117.51 120.89 1veh h ILE 69 Ca 0.14 0.00 0.14 0.00 1.00 0.00 0.00 64.86 66.14 1veh h ILE 69 Cb 0.58 0.00 -0.15 0.00 -0.74 0.00 0.00 36.82 36.51 1veh h ILE 69 CO -0.60 0.00 -0.41 -0.61 0.00 0.00 0.00 178.15 176.53 1veh h GLN 70 N -0.91 -0.03 0.12 2.37 4.15 -0.77 0.16 115.11 120.19 1veh h GLN 70 Ca -0.07 0.00 0.02 0.00 0.77 0.00 0.00 58.65 59.37 1veh h GLN 70 Cb 0.76 0.01 -0.05 0.00 0.21 0.00 0.00 27.48 28.41 1veh h GLN 70 CO 0.00 -0.02 -0.50 -0.91 -1.93 0.00 0.00 178.83 175.48 1veh h ASN 71 N -0.03 -1.50 -0.95 -0.69 2.35 0.18 -0.94 115.58 114.01 1veh h ASN 71 Ca 0.31 0.16 0.29 0.00 -0.55 0.00 0.00 56.30 56.50 1veh h ASN 71 Cb 0.57 0.55 -0.18 0.00 0.05 0.00 0.00 38.32 39.32 1veh h ASN 71 CO -0.94 -0.54 0.11 0.80 -1.65 0.00 0.00 177.43 175.21 1veh n MET 72 N -5.48 -0.07 0.15 0.81 1.56 0.44 0.19 117.12 114.71 1veh n MET 72 Ca -0.08 1.41 -0.14 0.00 -0.27 0.00 0.00 57.70 58.62 1veh n MET 72 Cb 0.41 -2.28 -0.06 0.00 2.15 0.00 0.00 33.22 33.43 1veh n MET 72 CO 0.00 0.00 0.00 1.25 -0.73 0.00 0.00 175.97 176.49 1veh h LEU 73 N 0.00 -0.64 -0.90 -0.89 6.46 -0.07 0.19 115.31 119.45 1veh h LEU 73 Ca 0.62 0.06 -0.08 0.00 -0.12 0.00 0.00 57.88 58.37 1veh h LEU 73 Cb 1.36 0.23 -0.02 0.00 -0.73 0.00 0.00 40.66 41.50 1veh h LEU 73 CO -0.87 -0.34 -0.03 1.56 -0.62 0.00 0.00 178.44 178.14 1veh h GLN 74 N -0.49 0.78 0.47 1.25 7.50 0.12 0.45 115.11 125.18 1veh h GLN 74 Ca 0.00 -0.22 -0.01 0.00 0.50 0.00 0.00 58.65 58.92 1veh h GLN 74 Cb 0.47 -0.09 -0.01 0.00 0.05 0.00 0.00 27.48 27.90 1veh h GLN 74 CO -0.07 0.81 -0.36 0.35 -1.50 0.00 0.00 178.83 178.05 1veh h PHE 75 N 0.72 -0.97 0.24 2.96 3.04 0.26 -3.23 116.94 119.96 1veh h PHE 75 Ca 0.14 -0.00 -0.01 0.00 3.98 0.00 0.00 57.97 62.07 1veh h PHE 75 Cb 0.48 0.36 0.00 0.00 2.56 0.00 0.00 35.95 39.36 1veh h PHE 75 CO 0.02 -0.53 -0.12 1.88 -2.02 0.00 0.00 178.31 177.55 1veh h TYR 76 N -0.82 -0.30 -3.65 0.41 0.05 -0.59 -3.42 116.97 108.65 1veh h TYR 76 Ca -0.05 -0.01 -0.69 0.00 0.05 0.00 0.00 58.73 58.04 1veh h TYR 76 Cb 0.70 0.10 -0.20 0.00 1.01 0.00 0.00 36.73 38.34 1veh h TYR 76 CO -0.15 0.06 -0.49 0.42 -1.05 0.00 0.00 178.16 176.95 1veh s ILE 77 N -3.60 5.09 -0.80 -2.88 -1.09 0.16 -4.93 121.20 113.15 1veh s ILE 77 Ca -0.12 -0.40 0.23 0.00 -2.23 0.00 0.00 60.65 58.14 1veh s ILE 77 Cb 0.01 -3.67 0.22 0.00 -1.58 0.00 0.00 42.46 37.44 1veh s ILE 77 CO 0.43 -0.07 1.72 -0.81 -1.23 0.00 0.00 174.94 174.98 1veh n PRO 78 N 5.08 0.12 0.28 2.79 -0.04 -1.22 -3.61 135.00 138.39 1veh n PRO 78 Ca -0.12 0.22 -0.11 0.00 -0.04 0.00 0.00 63.50 63.45 1veh n PRO 78 Cb 0.49 -1.67 -0.05 0.00 -0.04 0.00 0.00 33.50 32.22 1veh n PRO 78 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 1veh h GLU 79 N 0.00 -0.70 -7.14 0.54 4.39 -1.90 -3.44 114.58 106.34 1veh h GLU 79 Ca 0.00 0.05 -0.55 0.00 0.34 0.00 0.00 59.36 59.20 1veh h GLU 79 Cb 0.46 0.16 0.15 0.00 -0.10 0.00 0.00 28.75 29.43 1veh h GLU 79 CO 0.00 -0.46 0.46 0.54 -1.16 0.00 0.00 179.01 178.39 1veh s VAL 80 N -4.14 2.17 -0.03 3.13 0.11 -1.24 -4.34 120.40 116.07 1veh s VAL 80 Ca -0.11 0.10 -0.01 0.00 -2.93 0.00 0.00 61.98 59.03 1veh s VAL 80 Cb 0.01 -2.88 -0.01 0.00 -1.53 0.00 0.00 36.38 31.97 1veh s VAL 80 CO 0.32 -0.03 -0.03 -0.62 -3.33 0.00 0.00 175.10 171.40 1veh n GLU 81 N -2.23 0.05 -3.42 1.54 1.02 -1.24 -4.51 120.64 111.85 1veh n GLU 81 Ca 0.15 0.02 -0.12 0.00 -0.02 0.00 0.00 57.16 57.19 1veh n GLU 81 Cb 0.49 -0.65 -0.04 0.00 -0.02 0.00 0.00 31.44 31.22 1veh n GLU 81 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1veh n GLY 82 N 2.91 2.91 3.50 0.62 0.00 -1.26 -4.80 105.19 109.08 1veh n GLY 82 Ca -0.05 -1.71 -0.24 0.00 0.00 0.00 0.00 46.02 44.02 1veh n GLY 82 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1veh s VAL 83 N -2.83 2.15 -0.12 1.61 -7.23 -1.26 -1.57 120.40 111.14 1veh s VAL 83 Ca 0.24 -2.22 -0.11 0.00 -1.81 0.00 0.00 61.98 58.08 1veh s VAL 83 Cb 0.01 -2.53 0.03 0.00 0.56 0.00 0.00 36.38 34.45 1veh s VAL 83 CO 0.17 -0.27 0.32 -1.61 -0.31 0.00 0.00 175.10 173.41 1veh s GLU 84 N -3.62 0.37 -1.07 4.82 0.41 -1.17 -4.90 118.70 113.54 1veh s GLU 84 Ca 0.31 0.47 -0.14 0.00 -0.41 0.00 0.00 54.97 55.20 1veh s GLU 84 Cb 0.01 0.16 0.20 0.00 -1.78 0.00 0.00 34.13 32.72 1veh s GLU 84 CO 0.15 -0.06 1.19 -1.14 -0.49 0.00 0.00 175.26 174.91 1veh s GLN 85 N 0.28 3.95 0.34 1.61 -0.44 -1.24 -0.78 119.66 123.39 1veh s GLN 85 Ca -0.01 -2.56 -0.29 0.00 -2.50 0.00 0.00 55.36 50.00 1veh s GLN 85 Cb -0.03 -4.81 -0.11 0.00 -1.64 0.00 0.00 33.01 26.43 1veh s GLN 85 CO -0.01 -1.56 1.40 0.14 0.50 0.00 0.00 175.29 175.76 1veh s VAL 86 N 0.85 2.41 -0.20 1.34 -7.23 0.69 -4.05 120.40 114.22 1veh s VAL 86 Ca 0.34 0.41 -0.05 0.00 -1.81 0.00 0.00 61.98 60.86 1veh s VAL 86 Cb -0.06 -3.26 0.01 0.00 0.56 0.00 0.00 36.38 33.63 1veh s VAL 86 CO -0.05 0.09 0.26 -0.24 -0.31 0.00 0.00 175.10 174.85 1veh n SER 87 N 0.80 -4.46 -0.07 4.85 2.88 -1.26 -4.43 113.62 111.94 1veh n SER 87 Ca 0.01 0.18 0.00 0.00 -1.33 0.00 0.00 58.87 57.73 1veh n SER 87 Cb 0.40 -2.82 0.00 0.00 -0.75 0.00 0.00 64.21 61.04 1veh n SER 87 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1veh n GLY 88 N -0.58 3.65 3.71 0.46 0.00 -1.26 -4.98 105.19 106.19 1veh n GLY 88 Ca 0.04 -0.99 -0.42 0.00 0.00 0.00 0.00 46.02 44.65 1veh n GLY 88 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1veh s PRO 89 N 0.79 4.45 0.07 1.61 0.04 -1.26 -5.00 135.00 135.71 1veh s PRO 89 Ca 0.00 1.72 -0.07 0.00 0.04 0.00 0.00 61.00 62.69 1veh s PRO 89 Cb 0.00 -3.36 -0.01 0.00 0.04 0.00 0.00 34.50 31.17 1veh s PRO 89 CO 0.00 -0.22 0.15 -1.54 0.04 0.00 0.00 177.00 175.43 1veh s SER 90 N 1.02 0.17 0.41 6.66 1.04 -1.26 -5.02 113.70 116.73 1veh s SER 90 Ca 0.58 -0.66 0.00 0.00 0.48 0.00 0.00 55.95 56.34 1veh s SER 90 Cb -0.28 0.30 0.00 0.00 0.10 0.00 0.00 66.02 66.14 1veh s SER 90 CO 0.29 -0.67 0.00 -1.20 0.98 0.00 0.00 173.24 172.64 1veh n SER 91 N 0.11 0.00 0.00 7.02 7.64 -1.26 -5.26 113.62 121.87 1veh n SER 91 Ca -0.16 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.72 1veh n SER 91 Cb 0.61 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.81 1veh n SER 91 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64