#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1veh s SER 2 N 0.00 4.92 -0.16 1.61 0.01 -1.26 -5.07 113.70 113.76 1veh s SER 2 Ca 0.00 -3.74 -0.11 0.00 1.31 0.00 0.00 55.95 53.41 1veh s SER 2 Cb 0.00 -1.67 -0.05 0.00 0.21 0.00 0.00 66.02 64.51 1veh s SER 2 CO 0.00 -0.11 0.20 -0.55 0.41 0.00 0.00 173.24 173.18 1veh s SER 3 N -1.17 6.36 -0.01 2.44 0.15 -1.26 -5.09 113.70 115.13 1veh s SER 3 Ca 0.24 0.42 0.07 0.00 0.70 0.00 0.00 55.95 57.38 1veh s SER 3 Cb -0.07 -2.12 -0.02 0.00 -1.71 0.00 0.00 66.02 62.09 1veh s SER 3 CO -0.14 0.22 -0.22 -0.83 1.20 0.00 0.00 173.24 173.46 1veh s GLY 4 N -0.04 1.39 -0.42 9.45 0.00 -1.26 -5.03 107.32 111.41 1veh s GLY 4 Ca 0.13 -1.12 0.06 0.00 0.00 0.00 0.00 44.72 43.79 1veh s GLY 4 CO 0.02 -0.95 0.70 -0.56 0.00 0.00 0.00 173.10 172.32 1veh s SER 5 N -0.83 -1.38 0.03 1.64 0.01 -1.26 -5.04 113.70 106.87 1veh s SER 5 Ca 0.11 -0.91 -0.28 0.00 1.31 0.00 0.00 55.95 56.19 1veh s SER 5 Cb -0.10 1.77 -0.17 0.00 0.21 0.00 0.00 66.02 67.73 1veh s SER 5 CO 0.01 -0.13 1.31 0.28 0.41 0.00 0.00 173.24 175.11 1veh h SER 6 N 6.37 -0.60 -0.62 2.44 0.02 -1.99 -3.49 113.55 115.68 1veh h SER 6 Ca 0.04 -0.05 0.00 0.00 -0.84 0.00 0.00 61.79 60.94 1veh h SER 6 Cb 1.17 0.16 0.00 0.00 0.14 0.00 0.00 62.40 63.87 1veh h SER 6 CO 0.06 -0.28 0.00 0.61 -1.14 0.00 0.00 176.83 176.08 1veh n GLY 7 N -0.75 -0.43 0.08 -3.77 0.00 -1.26 -4.67 105.19 94.40 1veh n GLY 7 Ca -0.11 -0.75 -0.09 0.00 0.00 0.00 0.00 46.02 45.07 1veh n GLY 7 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1veh n SER 8 N -3.26 1.89 -2.92 1.61 7.64 -1.26 -4.91 113.62 112.42 1veh n SER 8 Ca 0.00 0.45 -0.12 0.00 1.01 0.00 0.00 58.87 60.21 1veh n SER 8 Cb 0.00 -0.80 -0.00 0.00 -1.01 0.00 0.00 64.21 62.40 1veh n SER 8 CO 0.00 0.00 0.00 1.21 -3.01 0.00 0.00 175.04 173.24 1veh n GLU 9 N -4.51 0.60 -3.92 1.43 4.07 -1.26 -5.07 120.64 111.98 1veh n GLU 9 Ca -0.14 -2.28 -0.30 0.00 -0.06 0.00 0.00 57.16 54.39 1veh n GLU 9 Cb 0.44 -1.46 -0.14 0.00 -0.06 0.00 0.00 31.44 30.23 1veh n GLU 9 CO 0.00 0.00 0.00 -1.21 -0.06 0.00 0.00 177.13 175.86 1veh s GLU 10 N 0.37 1.95 0.34 5.31 0.41 -1.26 -5.09 118.70 120.72 1veh s GLU 10 Ca 0.32 -2.62 -0.17 0.00 -0.41 0.00 0.00 54.97 52.08 1veh s GLU 10 Cb 0.11 -3.23 -0.09 0.00 -1.78 0.00 0.00 34.13 29.15 1veh s GLU 10 CO -0.15 -1.13 0.79 0.16 -0.49 0.00 0.00 175.26 174.44 1veh s ASP 11 N -0.33 6.88 0.55 -0.19 1.47 -1.26 -5.06 116.67 118.73 1veh s ASP 11 Ca 0.18 1.42 0.08 0.00 1.18 0.00 0.00 52.55 55.41 1veh s ASP 11 Cb -0.24 -2.43 0.06 0.00 -0.34 0.00 0.00 42.92 39.98 1veh s ASP 11 CO -0.01 -0.21 0.63 -1.81 0.68 0.00 0.00 175.17 174.45 1veh s ASP 12 N -2.14 4.95 0.55 2.11 1.01 -1.26 -4.98 116.67 116.91 1veh s ASP 12 Ca 0.54 -0.97 0.29 0.00 0.71 0.00 0.00 52.55 53.13 1veh s ASP 12 Cb -0.11 0.27 1.59 0.00 1.01 0.00 0.00 42.92 45.68 1veh s ASP 12 CO 0.17 -1.21 2.12 -0.33 0.21 0.00 0.00 175.17 176.13 1veh h GLU 13 N 0.43 0.00 -0.01 8.23 5.08 -2.00 -2.42 114.58 123.90 1veh h GLU 13 Ca -0.33 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.00 1veh h GLU 13 Cb 1.29 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.54 1veh h GLU 13 CO 0.47 0.08 -0.10 -0.24 -1.00 0.00 0.00 179.01 178.23 1veh h VAL 14 N 0.00 1.56 -0.21 3.13 3.04 -1.99 -2.93 116.25 118.85 1veh h VAL 14 Ca -0.00 -1.79 0.05 0.00 -1.01 0.00 0.00 66.70 63.95 1veh h VAL 14 Cb 0.26 2.73 -0.07 0.00 -2.01 0.00 0.00 31.29 32.19 1veh h VAL 14 CO 0.01 0.48 -0.41 0.58 -1.01 0.00 0.00 177.57 177.21 1veh h VAL 15 N -0.62 0.15 -0.90 1.51 2.07 -1.83 0.59 116.25 117.22 1veh h VAL 15 Ca -0.01 0.00 0.24 0.00 0.82 0.00 0.00 66.70 67.75 1veh h VAL 15 Cb 0.83 0.15 -0.05 0.00 -1.52 0.00 0.00 31.29 30.70 1veh h VAL 15 CO 0.02 0.00 0.62 0.00 0.02 0.00 0.00 177.57 178.23 1veh h ALA 16 N 0.23 2.56 0.16 1.67 0.00 -1.56 0.79 119.26 123.10 1veh h ALA 16 Ca 0.09 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 1veh h ALA 16 Cb 0.61 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.43 1veh h ALA 16 CO -0.44 -0.84 -0.08 1.98 0.00 0.00 0.00 179.25 179.88 1veh h MET 17 N 0.18 -0.20 0.12 0.00 4.05 0.31 -2.48 114.93 116.91 1veh h MET 17 Ca 0.45 0.01 -0.01 0.00 -0.28 0.00 0.00 59.70 59.88 1veh h MET 17 Cb 1.49 0.05 0.00 0.00 -0.80 0.00 0.00 31.60 32.33 1veh h MET 17 CO -0.09 0.01 -0.06 0.82 0.23 0.00 0.00 176.91 177.82 1veh h ILE 18 N -0.40 0.90 -0.95 1.77 2.04 0.43 -1.89 117.51 119.42 1veh h ILE 18 Ca -0.02 -0.07 0.20 0.00 1.00 0.00 0.00 64.86 65.96 1veh h ILE 18 Cb 0.31 0.95 -0.18 0.00 -0.74 0.00 0.00 36.82 37.16 1veh h ILE 18 CO 0.04 0.02 -0.19 0.11 0.00 0.00 0.00 178.15 178.12 1veh h LYS 19 N -0.20 0.00 0.47 2.37 1.57 -0.94 0.40 116.57 120.25 1veh h LYS 19 Ca -0.02 -0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.74 1veh h LYS 19 Cb 0.15 -0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.47 1veh h LYS 19 CO 0.03 0.00 -0.23 1.49 -0.57 0.00 0.00 179.45 180.17 1veh h GLU 20 N 0.00 -0.61 -0.13 3.15 4.81 -1.01 0.45 114.58 121.24 1veh h GLU 20 Ca 0.47 0.04 0.04 0.00 -0.13 0.00 0.00 59.36 59.78 1veh h GLU 20 Cb 0.77 0.14 -0.01 0.00 0.63 0.00 0.00 28.75 30.28 1veh h GLU 20 CO -0.96 -0.40 0.47 1.25 -0.73 0.00 0.00 179.01 178.65 1veh h LEU 21 N -0.65 0.00 0.05 1.64 6.46 0.42 2.52 115.31 125.75 1veh h LEU 21 Ca -0.06 0.00 -0.26 0.00 -0.12 0.00 0.00 57.88 57.44 1veh h LEU 21 Cb 0.49 0.00 -0.02 0.00 -0.73 0.00 0.00 40.66 40.40 1veh h LEU 21 CO 0.11 0.00 -1.38 -0.07 -0.62 0.00 0.00 178.44 176.48 1veh h LEU 22 N 0.00 0.16 -0.77 2.25 -0.00 0.77 -3.37 115.31 114.36 1veh h LEU 22 Ca 0.06 -0.69 -0.12 0.00 -0.00 0.00 0.00 57.88 57.13 1veh h LEU 22 Cb 1.01 -0.05 -0.01 0.00 -0.00 0.00 0.00 40.66 41.60 1veh h LEU 22 CO -0.00 1.57 -0.31 0.44 -0.00 0.00 0.00 178.44 180.13 1veh h ASP 23 N -0.64 0.59 0.00 -0.43 3.32 0.37 1.11 116.42 120.74 1veh h ASP 23 Ca -0.34 -0.23 0.00 0.00 0.02 0.00 0.00 57.03 56.48 1veh h ASP 23 Cb 1.53 -0.16 0.00 0.00 0.22 0.00 0.00 39.33 40.92 1veh h ASP 23 CO -0.09 0.87 0.00 0.35 -1.72 0.00 0.00 179.24 178.66 1veh n THR 24 N -4.08 0.00 -2.76 0.35 -2.24 0.81 -4.45 114.28 101.92 1veh n THR 24 Ca -0.01 0.36 -0.03 0.00 -2.27 0.00 0.00 64.05 62.10 1veh n THR 24 Cb 0.46 -0.77 0.06 0.00 -2.10 0.00 0.00 70.33 67.98 1veh n THR 24 CO 0.00 0.00 0.00 -2.11 -0.57 0.00 0.00 175.07 172.39 1veh n ARG 25 N 0.00 1.49 0.03 -0.78 1.85 -1.26 -4.83 116.66 113.16 1veh n ARG 25 Ca 0.00 -3.01 0.00 0.00 -1.00 0.00 0.00 57.85 53.84 1veh n ARG 25 Cb 0.00 -1.13 0.00 0.00 -1.05 0.00 0.00 32.46 30.28 1veh n ARG 25 CO 0.00 0.00 0.00 -0.89 -0.01 0.00 0.00 177.63 176.73 1veh n ILE 26 N -0.59 0.71 0.00 8.89 5.41 -1.03 -4.42 119.36 128.34 1veh n ILE 26 Ca 0.03 0.24 -0.12 0.00 1.00 0.00 0.00 62.75 63.90 1veh n ILE 26 Cb 0.82 -1.53 -0.07 0.00 -0.71 0.00 0.00 39.64 38.15 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 0.10 0.43 114.38 117.79 1veh h ARG 27 Ca 0.00 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.16 1veh h ARG 27 Cb 0.40 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 29.94 1veh h ARG 27 CO 0.00 0.22 0.00 -0.35 -1.51 0.00 0.00 179.97 178.33 1veh n PRO 28 N -4.96 0.75 -0.12 0.20 -0.04 -1.26 -1.58 135.00 127.97 1veh n PRO 28 Ca -0.07 0.00 -0.25 0.00 -0.04 0.00 0.00 63.50 63.14 1veh n PRO 28 Cb 0.12 -1.50 -0.09 0.00 -0.04 0.00 0.00 33.50 31.98 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 -1.00 1.52 -0.02 0.52 -1.04 -0.78 -4.09 114.28 109.40 1veh n THR 29 Ca 0.18 -0.24 -0.07 0.00 -2.04 0.00 0.00 64.05 61.88 1veh n THR 29 Cb 0.08 -1.98 0.11 0.00 -1.82 0.00 0.00 70.33 66.73 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 -1.00 1.29 0.00 12.58 -1.51 -0.92 -2.20 116.25 124.50 1veh h VAL 30 Ca -0.54 -1.50 0.00 0.00 -1.23 0.00 0.00 66.70 63.43 1veh h VAL 30 Cb 1.45 1.48 0.00 0.00 -2.13 0.00 0.00 31.29 32.09 1veh h VAL 30 CO -0.33 0.48 0.00 0.06 -1.23 0.00 0.00 177.57 176.55 1veh h GLN 31 N 0.49 0.00 0.00 5.19 3.07 -1.45 0.14 115.11 122.56 1veh h GLN 31 Ca 0.05 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.79 1veh h GLN 31 Cb 0.86 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.42 1veh h GLN 31 CO 0.07 0.00 0.00 0.39 0.09 0.00 0.00 178.83 179.38 1veh n GLU 32 N -2.95 0.47 -0.11 0.06 1.02 -0.83 -3.15 120.64 115.16 1veh n GLU 32 Ca -0.02 0.05 -0.20 0.00 -0.02 0.00 0.00 57.16 56.97 1veh n GLU 32 Cb 0.09 -1.50 -0.08 0.00 -0.02 0.00 0.00 31.44 29.94 1veh n GLU 32 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 1veh n ASP 33 N -1.15 1.91 0.00 1.62 -0.08 0.50 -5.07 116.55 114.29 1veh n ASP 33 Ca 0.13 0.39 0.00 0.00 -1.51 0.00 0.00 54.79 53.80 1veh n ASP 33 Cb 0.12 -0.84 0.00 0.00 2.34 0.00 0.00 41.12 42.74 1veh n ASP 33 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1veh n GLY 34 N 1.39 -2.17 0.00 0.27 0.00 -1.19 -5.14 105.19 98.35 1veh n GLY 34 Ca -0.34 0.70 0.00 0.00 0.00 0.00 0.00 46.02 46.38 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 -1.21 -1.81 3.61 -0.02 0.00 -1.16 -4.89 105.19 99.70 1veh n GLY 35 Ca 0.00 -1.04 -0.08 0.00 0.00 0.00 0.00 46.02 44.91 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 -1.59 -0.28 -0.23 1.61 2.15 -1.26 -4.15 116.67 112.92 1veh s ASP 36 Ca 0.00 0.36 -0.16 0.00 0.43 0.00 0.00 52.55 53.18 1veh s ASP 36 Cb 0.00 0.31 -0.04 0.00 -0.30 0.00 0.00 42.92 42.89 1veh s ASP 36 CO 0.00 -0.21 0.41 0.54 -0.17 0.00 0.00 175.17 175.74 1veh s VAL 37 N -0.79 5.17 -0.25 1.11 0.11 -1.26 -4.00 120.40 120.49 1veh s VAL 37 Ca 0.02 0.70 0.01 0.00 -2.93 0.00 0.00 61.98 59.78 1veh s VAL 37 Cb -0.02 -3.73 0.07 0.00 -1.53 0.00 0.00 36.38 31.17 1veh s VAL 37 CO -0.03 0.21 -0.02 -0.63 -3.33 0.00 0.00 175.10 171.29 1veh s ILE 38 N 1.64 1.44 -0.60 7.04 1.09 -1.25 -4.81 121.20 125.74 1veh s ILE 38 Ca 0.18 -1.29 -0.27 0.00 -1.10 0.00 0.00 60.65 58.16 1veh s ILE 38 Cb -0.15 -1.80 0.01 0.00 -1.06 0.00 0.00 42.46 39.45 1veh s ILE 38 CO 0.09 -0.22 1.50 -0.47 -0.10 0.00 0.00 174.94 175.73 1veh s TYR 39 N 1.41 2.13 -0.42 3.97 5.04 -1.26 -0.49 117.35 127.74 1veh s TYR 39 Ca -0.02 0.44 0.02 0.00 -2.44 0.00 0.00 57.07 55.07 1veh s TYR 39 Cb -0.19 -4.36 0.13 0.00 0.35 0.00 0.00 41.96 37.89 1veh s TYR 39 CO -0.09 -2.11 0.21 1.03 -1.34 0.00 0.00 175.55 173.25 1veh s ARG 40 N 5.89 1.24 0.00 4.97 1.81 0.51 -4.97 118.95 128.40 1veh s ARG 40 Ca 0.53 -1.88 0.00 0.00 -1.72 0.00 0.00 55.73 52.66 1veh s ARG 40 Cb -0.11 -2.37 0.00 0.00 -0.45 0.00 0.00 34.95 32.02 1veh s ARG 40 CO 0.22 -1.12 0.00 0.41 -0.68 0.00 0.00 175.30 174.13 1veh n GLY 41 N 3.77 3.12 2.67 -3.53 0.00 -1.26 -4.52 105.19 105.44 1veh n GLY 41 Ca 0.06 -1.55 -0.23 0.00 0.00 0.00 0.00 46.02 44.31 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 -1.05 -0.03 -0.84 1.61 5.36 -1.26 0.29 117.98 122.06 1veh s PHE 42 Ca 0.00 -0.16 -0.18 0.00 -0.96 0.00 0.00 56.93 55.63 1veh s PHE 42 Cb 0.00 -0.57 0.14 0.00 -0.34 0.00 0.00 43.02 42.25 1veh s PHE 42 CO 0.00 -0.63 0.98 -2.00 -1.46 0.00 0.00 175.22 172.12 1veh s GLU 43 N 2.23 3.48 -0.78 10.12 2.12 0.70 -4.58 118.70 131.99 1veh s GLU 43 Ca 0.06 -1.75 -0.05 0.00 0.36 0.00 0.00 54.97 53.59 1veh s GLU 43 Cb -0.16 -4.67 0.05 0.00 0.26 0.00 0.00 34.13 29.61 1veh s GLU 43 CO -0.16 -1.65 0.12 -3.47 -0.54 0.00 0.00 175.26 169.56 1veh n ASP 44 N 6.14 -0.12 0.00 -1.70 2.03 -1.26 -0.07 116.55 121.57 1veh n ASP 44 Ca 0.15 -0.58 0.00 0.00 0.52 0.00 0.00 54.79 54.87 1veh n ASP 44 Cb 0.47 -0.74 0.00 0.00 -0.72 0.00 0.00 41.12 40.14 1veh n ASP 44 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1veh n GLY 45 N -1.31 2.30 3.51 0.27 0.00 -1.26 -4.82 105.19 103.87 1veh n GLY 45 Ca -0.06 -0.61 -0.39 0.00 0.00 0.00 0.00 46.02 44.96 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 -0.02 -2.76 -0.61 2.08 0.90 -3.67 119.36 115.28 1veh n ILE 46 Ca 0.00 -0.16 -0.42 0.00 0.56 0.00 0.00 62.75 62.73 1veh n ILE 46 Cb 0.00 -0.93 -0.03 0.00 -0.75 0.00 0.00 39.64 37.93 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 9.44 4.84 -0.47 1.39 1.01 -1.03 -0.21 120.40 135.36 1veh s VAL 47 Ca 1.29 1.92 -0.23 0.00 0.00 0.00 0.00 61.98 64.96 1veh s VAL 47 Cb -1.04 -4.26 0.03 0.00 0.00 0.00 0.00 36.38 31.11 1veh s VAL 47 CO 0.45 0.07 0.78 -0.13 0.00 0.00 0.00 175.10 176.27 1veh s ARG 48 N 1.69 3.35 0.04 2.72 0.52 0.15 -2.18 118.95 125.23 1veh s ARG 48 Ca 0.46 -0.25 0.05 0.00 -0.52 0.00 0.00 55.73 55.48 1veh s ARG 48 Cb -0.19 -3.98 -0.03 0.00 0.52 0.00 0.00 34.95 31.27 1veh s ARG 48 CO 0.19 -1.19 -0.11 -0.51 0.02 0.00 0.00 175.30 173.70 1veh s LEU 49 N 3.30 2.95 -1.02 2.53 2.01 0.57 0.19 118.68 129.22 1veh s LEU 49 Ca 0.28 -0.29 -0.02 0.00 0.01 0.00 0.00 54.13 54.10 1veh s LEU 49 Cb -0.13 -1.72 0.31 0.00 0.01 0.00 0.00 46.19 44.66 1veh s LEU 49 CO 0.20 0.25 1.49 1.17 1.01 0.00 0.00 176.35 180.48 1veh n LYS 50 N 1.38 4.52 -3.09 1.70 4.81 0.36 0.19 118.16 128.04 1veh n LYS 50 Ca -0.15 -4.61 -0.37 0.00 -0.87 0.00 0.00 58.31 52.31 1veh n LYS 50 Cb 0.52 -2.47 -0.06 0.00 0.02 0.00 0.00 35.03 33.04 1veh n LYS 50 CO 0.00 0.00 0.00 -1.17 1.17 0.00 0.00 177.40 177.40 1veh s LEU 51 N -3.17 4.41 -0.25 3.14 2.96 -1.26 -3.91 118.68 120.61 1veh s LEU 51 Ca 0.34 1.46 -0.12 0.00 -0.22 0.00 0.00 54.13 55.58 1veh s LEU 51 Cb 0.10 -3.47 0.09 0.00 0.50 0.00 0.00 46.19 43.41 1veh s LEU 51 CO 0.04 0.09 0.59 -1.58 -1.32 0.00 0.00 176.35 174.17 1veh s GLN 52 N -1.72 0.58 0.00 1.98 0.74 -1.26 -4.86 119.66 115.11 1veh s GLN 52 Ca 0.40 1.16 0.00 0.00 0.05 0.00 0.00 55.36 56.97 1veh s GLN 52 Cb -0.18 0.27 0.00 0.00 1.10 0.00 0.00 33.01 34.20 1veh s GLN 52 CO 0.22 -0.17 0.00 0.41 -0.55 0.00 0.00 175.29 175.20 1veh n GLY 53 N 4.64 0.66 0.13 2.59 0.00 -1.26 -3.00 105.19 108.94 1veh n GLY 53 Ca -0.18 -0.38 -0.22 0.00 0.00 0.00 0.00 46.02 45.25 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 -0.64 2.02 0.00 1.61 2.88 -1.26 -4.53 113.62 113.69 1veh n SER 54 Ca 0.00 0.19 0.00 0.00 -1.33 0.00 0.00 58.87 57.73 1veh n SER 54 Cb 0.26 -0.77 0.00 0.00 -0.75 0.00 0.00 64.21 62.95 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 0.01 0.81 -0.34 0.00 5.66 -1.26 -4.79 114.28 114.36 1veh n THR 56 Ca 0.00 -0.82 0.11 0.00 -3.05 0.00 0.00 64.05 60.29 1veh n THR 56 Cb 0.00 0.58 0.23 0.00 -1.55 0.00 0.00 70.33 69.59 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 -0.42 -0.21 -3.92 1.09 2.88 -1.26 -4.23 113.62 107.55 1veh n SER 57 Ca 0.00 1.67 -0.18 0.00 -1.33 0.00 0.00 58.87 59.03 1veh n SER 57 Cb 0.32 -0.57 -0.16 0.00 -0.75 0.00 0.00 64.21 63.05 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 6.67 0.74 -0.07 0.00 0.13 -1.96 -3.32 132.00 134.19 1veh h PRO 59 Ca -0.35 -0.71 0.01 0.00 -0.87 0.00 0.00 66.00 64.08 1veh h PRO 59 Cb 1.17 0.18 -0.01 0.00 0.13 0.00 0.00 31.00 32.47 1veh h PRO 59 CO 0.49 1.30 -0.04 0.45 -0.23 0.00 0.00 178.00 179.96 1veh n SER 60 N -3.89 -0.08 -0.33 1.44 2.88 -1.26 0.17 113.62 112.56 1veh n SER 60 Ca -0.10 1.02 0.25 0.00 -1.33 0.00 0.00 58.87 58.71 1veh n SER 60 Cb 0.83 -0.46 0.48 0.00 -0.75 0.00 0.00 64.21 64.30 1veh n SER 60 CO 0.00 0.00 0.00 -1.28 -1.23 0.00 0.00 175.04 172.53 1veh h SER 61 N 0.00 0.31 0.45 -3.46 0.87 -1.98 1.58 113.55 111.32 1veh h SER 61 Ca 0.01 0.22 -0.02 0.00 -1.23 0.00 0.00 61.79 60.77 1veh h SER 61 Cb 0.03 0.23 0.00 0.00 -0.44 0.00 0.00 62.40 62.22 1veh h SER 61 CO -0.07 -0.26 -0.21 0.40 -0.53 0.00 0.00 176.83 176.15 1veh h ILE 62 N 0.17 0.44 0.00 2.23 2.04 0.66 1.32 117.51 124.37 1veh h ILE 62 Ca 0.74 -0.48 0.00 0.00 1.00 0.00 0.00 64.86 66.13 1veh h ILE 62 Cb 1.77 0.63 0.00 0.00 -0.74 0.00 0.00 36.82 38.48 1veh h ILE 62 CO -0.70 0.07 0.00 -0.38 0.00 0.00 0.00 178.15 177.14 1veh n ILE 63 N -5.23 1.17 -0.08 -0.67 5.41 0.45 0.19 119.36 120.59 1veh n ILE 63 Ca -0.10 0.61 -0.23 0.00 1.00 0.00 0.00 62.75 64.03 1veh n ILE 63 Cb 0.30 -1.59 -0.12 0.00 -0.71 0.00 0.00 39.64 37.52 1veh n ILE 63 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 176.55 176.96 1veh n THR 64 N -2.10 1.60 -0.03 1.39 -1.04 0.50 -4.05 114.28 110.55 1veh n THR 64 Ca -0.01 -0.33 -0.03 0.00 -2.04 0.00 0.00 64.05 61.65 1veh n THR 64 Cb 0.06 -1.86 -0.01 0.00 -1.82 0.00 0.00 70.33 66.70 1veh n THR 64 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 1veh n LEU 65 N -4.01 0.77 -0.22 -4.42 7.99 0.45 -2.95 117.00 114.61 1veh n LEU 65 Ca -0.38 0.30 -0.06 0.00 -0.01 0.00 0.00 56.01 55.86 1veh n LEU 65 Cb 0.86 -0.63 -0.05 0.00 -0.11 0.00 0.00 43.42 43.48 1veh n LEU 65 CO 0.24 -0.46 0.49 0.50 -1.51 0.00 0.00 177.39 176.65 1veh h LYS 66 N -0.42 -0.01 -0.22 3.23 3.64 0.19 1.10 116.57 124.08 1veh h LYS 66 Ca 0.00 0.00 0.03 0.00 -1.27 0.00 0.00 60.65 59.41 1veh h LYS 66 Cb 0.29 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 32.09 1veh h LYS 66 CO 0.00 -0.00 0.05 0.77 -2.27 0.00 0.00 179.45 177.99 1veh h SER 67 N -0.01 0.02 -0.23 4.20 0.02 -1.28 0.55 113.55 116.83 1veh h SER 67 Ca 0.09 0.03 0.04 0.00 -0.84 0.00 0.00 61.79 61.11 1veh h SER 67 Cb 0.23 0.04 -0.07 0.00 0.14 0.00 0.00 62.40 62.74 1veh h SER 67 CO -0.51 0.04 -0.55 1.23 -1.14 0.00 0.00 176.83 175.91 1veh h GLY 68 N 0.14 -1.05 0.91 -3.77 0.00 -0.64 0.51 103.07 99.17 1veh h GLY 68 Ca 0.10 0.69 -0.01 0.00 0.00 0.00 0.00 47.33 48.11 1veh h GLY 68 CO -0.13 -0.17 -0.07 -2.22 0.00 0.00 0.00 176.54 173.95 1veh h ILE 69 N -0.52 0.90 -0.80 2.60 5.03 0.13 0.37 117.51 125.21 1veh h ILE 69 Ca 0.05 -0.19 0.23 0.00 -0.12 0.00 0.00 64.86 64.83 1veh h ILE 69 Cb 0.65 1.02 -0.03 0.00 -3.03 0.00 0.00 36.82 35.43 1veh h ILE 69 CO -0.49 0.05 0.75 1.56 -0.68 0.00 0.00 178.15 179.33 1veh h GLN 70 N -0.29 0.00 0.06 2.37 4.20 0.74 0.33 115.11 122.52 1veh h GLN 70 Ca -0.02 0.00 -0.16 0.00 0.06 0.00 0.00 58.65 58.53 1veh h GLN 70 Cb 0.23 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.01 1veh h GLN 70 CO 0.03 0.00 -0.79 -0.97 -0.67 0.00 0.00 178.83 176.43 1veh h ASN 71 N 0.00 0.19 -0.98 1.46 -1.24 0.10 -3.29 115.58 111.82 1veh h ASN 71 Ca 0.38 -0.85 0.27 0.00 0.71 0.00 0.00 56.30 56.82 1veh h ASN 71 Cb 1.87 -0.06 -0.14 0.00 0.73 0.00 0.00 38.32 40.72 1veh h ASN 71 CO -0.00 1.34 0.52 -0.03 -1.29 0.00 0.00 177.43 177.97 1veh h MET 72 N -0.69 0.40 0.65 6.67 4.05 0.17 1.35 114.93 127.52 1veh h MET 72 Ca -0.18 -0.02 -0.03 0.00 -0.28 0.00 0.00 59.70 59.19 1veh h MET 72 Cb 1.39 -0.09 0.00 0.00 -0.80 0.00 0.00 31.60 32.10 1veh h MET 72 CO 0.00 0.26 -0.33 -0.07 0.23 0.00 0.00 176.91 177.01 1veh h LEU 73 N 0.41 -0.79 -1.61 3.39 3.38 -1.41 0.14 115.31 118.83 1veh h LEU 73 Ca 0.66 0.03 0.05 0.00 0.09 0.00 0.00 57.88 58.71 1veh h LEU 73 Cb 1.39 0.21 -0.03 0.00 0.09 0.00 0.00 40.66 42.32 1veh h LEU 73 CO -0.56 -0.54 0.33 1.56 0.09 0.00 0.00 178.44 179.32 1veh h GLN 74 N -0.89 0.48 0.48 1.13 4.20 -1.26 0.47 115.11 119.73 1veh h GLN 74 Ca -0.09 -0.03 -0.02 0.00 0.06 0.00 0.00 58.65 58.57 1veh h GLN 74 Cb 0.69 -0.11 0.00 0.00 0.30 0.00 0.00 27.48 28.36 1veh h GLN 74 CO 0.13 0.32 -0.23 0.35 -0.67 0.00 0.00 178.83 178.73 1veh h PHE 75 N 0.50 -0.60 0.27 2.96 3.04 0.21 -3.28 116.94 120.03 1veh h PHE 75 Ca 0.21 -0.01 -0.01 0.00 3.98 0.00 0.00 57.97 62.13 1veh h PHE 75 Cb 0.20 0.20 0.00 0.00 2.56 0.00 0.00 35.95 38.91 1veh h PHE 75 CO -0.00 -0.37 -0.13 1.88 -2.02 0.00 0.00 178.31 177.67 1veh h TYR 76 N -0.65 -0.33 -3.65 0.41 0.05 -0.23 -3.43 116.97 109.14 1veh h TYR 76 Ca -0.07 -0.01 -0.65 0.00 0.05 0.00 0.00 58.73 58.06 1veh h TYR 76 Cb 0.50 0.11 -0.21 0.00 1.01 0.00 0.00 36.73 38.14 1veh h TYR 76 CO -0.04 0.01 -0.61 0.42 -1.05 0.00 0.00 178.16 176.89 1veh s ILE 77 N -3.65 4.47 -1.33 -2.88 1.01 0.16 -4.95 121.20 114.02 1veh s ILE 77 Ca -0.12 -0.12 0.23 0.00 0.00 0.00 0.00 60.65 60.64 1veh s ILE 77 Cb 0.01 -3.09 0.35 0.00 0.01 0.00 0.00 42.46 39.74 1veh s ILE 77 CO 0.42 0.34 1.73 -0.81 0.00 0.00 0.00 174.94 176.62 1veh n PRO 78 N 4.83 0.25 0.00 2.79 -0.04 -1.24 -3.61 135.00 137.99 1veh n PRO 78 Ca -0.16 0.08 0.00 0.00 -0.04 0.00 0.00 63.50 63.38 1veh n PRO 78 Cb 0.52 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.48 1veh n PRO 78 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 1veh n GLU 79 N -1.33 0.00 -1.46 0.54 -0.58 -1.26 -4.79 120.64 111.75 1veh n GLU 79 Ca 0.10 0.35 -0.44 0.00 -0.42 0.00 0.00 57.16 56.74 1veh n GLU 79 Cb 0.20 -1.13 -0.01 0.00 -0.57 0.00 0.00 31.44 29.92 1veh n GLU 79 CO 0.00 0.00 0.00 1.55 -0.48 0.00 0.00 177.13 178.20 1veh n VAL 80 N -1.55 1.82 0.02 2.62 3.14 -1.25 -4.43 118.33 118.70 1veh n VAL 80 Ca 0.00 -0.50 0.00 0.00 -2.96 0.00 0.00 64.34 60.88 1veh n VAL 80 Cb 0.00 -0.47 0.00 0.00 -1.06 0.00 0.00 33.84 32.31 1veh n VAL 80 CO 0.00 0.00 0.00 -0.62 -6.46 0.00 0.00 176.83 169.75 1veh n GLU 81 N 0.81 0.00 -4.33 1.45 1.02 -1.24 -4.51 120.64 113.84 1veh n GLU 81 Ca 0.13 0.00 -0.27 0.00 -0.02 0.00 0.00 57.16 57.00 1veh n GLU 81 Cb 0.33 -0.37 -0.06 0.00 -0.02 0.00 0.00 31.44 31.32 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 2.73 3.55 2.96 0.62 0.00 -1.26 -4.95 105.19 108.83 1veh n GLY 82 Ca 0.00 -2.28 -0.14 0.00 0.00 0.00 0.00 46.02 43.59 1veh n GLY 82 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1veh s VAL 83 N -2.72 0.34 0.00 1.61 1.01 -1.26 -2.48 120.40 116.90 1veh s VAL 83 Ca 0.05 -0.34 0.02 0.00 0.00 0.00 0.00 61.98 61.72 1veh s VAL 83 Cb 0.00 -0.32 -0.01 0.00 0.00 0.00 0.00 36.38 36.06 1veh s VAL 83 CO 0.04 -0.01 -0.08 -0.70 0.00 0.00 0.00 175.10 174.35 1veh s GLU 84 N -0.38 0.61 -1.19 2.72 -6.30 -0.93 -4.96 118.70 108.26 1veh s GLU 84 Ca -0.01 -0.36 -0.12 0.00 -2.50 0.00 0.00 54.97 51.98 1veh s GLU 84 Cb -0.03 -0.57 0.20 0.00 0.00 0.00 0.00 34.13 33.73 1veh s GLU 84 CO -0.00 0.15 1.41 0.94 0.02 0.00 0.00 175.26 177.78 1veh n GLN 85 N 2.64 3.49 -1.53 4.30 0.00 -1.24 -0.31 117.38 124.73 1veh n GLN 85 Ca -0.15 -3.99 -0.40 0.00 -0.00 0.00 0.00 57.00 52.47 1veh n GLN 85 Cb 0.57 -2.89 -0.06 0.00 0.00 0.00 0.00 30.24 27.86 1veh n GLN 85 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.06 178.39 1veh n VAL 86 N 3.87 0.00 -3.12 1.69 0.24 0.51 -4.80 118.33 116.73 1veh n VAL 86 Ca 0.34 -0.53 -0.24 0.00 -2.04 0.00 0.00 64.34 61.86 1veh n VAL 86 Cb 0.41 -2.14 -0.00 0.00 -1.47 0.00 0.00 33.84 30.63 1veh n VAL 86 CO 0.00 0.00 0.00 -0.55 -2.14 0.00 0.00 176.83 174.14 1veh s SER 87 N 10.61 6.16 0.00 -1.34 0.15 -1.26 -4.26 113.70 123.76 1veh s SER 87 Ca 1.08 0.50 0.00 0.00 0.70 0.00 0.00 55.95 58.23 1veh s SER 87 Cb -0.51 -1.94 0.00 0.00 -1.71 0.00 0.00 66.02 61.86 1veh s SER 87 CO 0.35 -0.47 0.00 0.61 1.20 0.00 0.00 173.24 174.93 1veh n GLY 88 N -1.97 6.40 0.08 9.45 0.00 -1.26 -5.07 105.19 112.82 1veh n GLY 88 Ca -0.02 -1.96 -0.14 0.00 0.00 0.00 0.00 46.02 43.90 1veh n GLY 88 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1veh h PRO 89 N 0.00 0.09 -1.13 1.61 0.13 -2.06 -3.47 132.00 127.17 1veh h PRO 89 Ca 0.00 -0.08 0.17 0.00 -0.87 0.00 0.00 66.00 65.22 1veh h PRO 89 Cb 0.00 0.02 -0.29 0.00 0.13 0.00 0.00 31.00 30.87 1veh h PRO 89 CO 0.00 0.82 0.50 0.45 -0.23 0.00 0.00 178.00 179.54 1veh s SER 90 N -6.11 -0.32 -0.20 1.44 0.15 -1.26 -5.14 113.70 102.26 1veh s SER 90 Ca -0.17 0.49 -0.04 0.00 0.70 0.00 0.00 55.95 56.93 1veh s SER 90 Cb 0.00 1.20 0.07 0.00 -1.71 0.00 0.00 66.02 65.58 1veh s SER 90 CO 0.71 -0.07 0.08 -0.55 1.20 0.00 0.00 173.24 174.60 1veh s SER 91 N 1.50 2.77 0.00 5.45 0.15 -1.26 -5.28 113.70 117.02 1veh s SER 91 Ca -0.07 -0.82 0.00 0.00 0.70 0.00 0.00 55.95 55.77 1veh s SER 91 Cb -0.03 -0.40 0.00 0.00 -1.71 0.00 0.00 66.02 63.87 1veh s SER 91 CO -0.14 -0.35 0.00 0.61 1.20 0.00 0.00 173.24 174.56