#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 4.73 -0.16 1.61 0.01 -1.26 -5.06 113.70 113.57 1veh s SER 2 Ca 0.00 -1.68 -0.04 0.00 1.31 0.00 0.00 55.95 55.54 1veh s SER 2 Cb 0.00 -1.64 0.06 0.00 0.21 0.00 0.00 66.02 64.65 1veh s SER 2 CO 0.00 -0.30 0.07 -0.44 0.41 0.00 0.00 173.24 172.98 1veh s SER 3 N 1.15 2.33 -0.33 2.44 0.01 -1.26 -5.09 113.70 112.95 1veh s SER 3 Ca -0.00 -0.57 -0.36 0.00 1.31 0.00 0.00 55.95 56.33 1veh s SER 3 Cb -0.20 -0.33 -0.12 0.00 0.21 0.00 0.00 66.02 65.58 1veh s SER 3 CO -0.05 -0.32 2.14 0.61 0.41 0.00 0.00 173.24 176.02 1veh n GLY 4 N 5.22 0.55 3.53 3.44 0.00 -1.26 -4.88 105.19 111.79 1veh n GLY 4 Ca -0.07 0.93 -0.10 0.00 0.00 0.00 0.00 46.02 46.78 1veh n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1veh s SER 5 N 6.81 -0.41 0.41 1.61 0.15 -1.26 -5.14 113.70 115.87 1veh s SER 5 Ca 1.08 -0.26 0.00 0.00 0.70 0.00 0.00 55.95 57.47 1veh s SER 5 Cb -0.88 0.62 0.00 0.00 -1.71 0.00 0.00 66.02 64.04 1veh s SER 5 CO 0.51 -1.07 0.00 -1.20 1.20 0.00 0.00 173.24 172.68 1veh n SER 6 N -0.38 -7.28 0.00 5.45 7.64 -1.26 -4.83 113.62 112.97 1veh n SER 6 Ca -0.12 0.88 0.00 0.00 1.01 0.00 0.00 58.87 60.63 1veh n SER 6 Cb 0.63 -4.20 0.00 0.00 -1.01 0.00 0.00 64.21 59.63 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 -3.94 -0.99 0.09 0.23 0.00 -1.26 -4.85 105.19 94.47 1veh n GLY 7 Ca -0.03 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.82 1veh n GLY 7 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1veh h SER 8 N 0.00 0.00 -0.09 1.61 0.02 -2.07 -3.50 113.55 109.52 1veh h SER 8 Ca 0.00 -0.42 0.00 0.00 -0.84 0.00 0.00 61.79 60.53 1veh h SER 8 Cb 0.00 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.54 1veh h SER 8 CO 0.00 1.24 0.00 1.21 -1.14 0.00 0.00 176.83 178.14 1veh n GLU 9 N -4.51 0.73 -3.78 3.45 0.00 -1.26 -5.12 120.64 110.16 1veh n GLU 9 Ca -0.23 0.00 -0.30 0.00 0.00 0.00 0.00 57.16 56.63 1veh n GLU 9 Cb 0.54 0.00 -0.15 0.00 0.00 0.00 0.00 31.44 31.84 1veh n GLU 9 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.13 175.92 1veh s GLU 10 N 1.51 0.99 0.65 5.31 2.02 -1.26 -4.86 118.70 123.06 1veh s GLU 10 Ca 0.00 -1.45 -0.11 0.00 0.02 0.00 0.00 54.97 53.43 1veh s GLU 10 Cb 0.00 -2.29 -0.02 0.00 0.10 0.00 0.00 34.13 31.92 1veh s GLU 10 CO 0.00 -1.02 1.05 0.16 0.02 0.00 0.00 175.26 175.47 1veh s ASP 11 N 1.17 5.98 0.00 -0.19 1.47 -1.26 -5.09 116.67 118.75 1veh s ASP 11 Ca 0.12 1.33 0.00 0.00 1.18 0.00 0.00 52.55 55.18 1veh s ASP 11 Cb -0.19 -2.29 0.00 0.00 -0.34 0.00 0.00 42.92 40.09 1veh s ASP 11 CO -0.16 -1.02 0.00 -0.67 0.68 0.00 0.00 175.17 174.00 1veh n ASP 12 N -2.83 1.36 0.14 2.11 -0.08 -1.26 -5.02 116.55 110.98 1veh n ASP 12 Ca 0.06 -0.88 0.04 0.00 -1.51 0.00 0.00 54.79 52.50 1veh n ASP 12 Cb 0.55 0.00 0.04 0.00 2.34 0.00 0.00 41.12 44.05 1veh n ASP 12 CO 0.00 0.00 0.00 -0.33 0.12 0.00 0.00 177.20 176.99 1veh h GLU 13 N 0.00 0.00 0.17 -0.67 4.39 -2.00 -3.03 114.58 113.45 1veh h GLU 13 Ca 0.00 0.00 -0.32 0.00 0.34 0.00 0.00 59.36 59.38 1veh h GLU 13 Cb 0.00 0.00 0.03 0.00 -0.10 0.00 0.00 28.75 28.68 1veh h GLU 13 CO 0.00 0.41 -1.34 -0.24 -1.16 0.00 0.00 179.01 176.68 1veh h VAL 14 N 0.00 1.28 0.49 3.13 3.04 -1.99 -3.04 116.25 119.16 1veh h VAL 14 Ca -0.01 -2.55 -0.02 0.00 -1.01 0.00 0.00 66.70 63.11 1veh h VAL 14 Cb 1.34 2.83 -0.00 0.00 -2.01 0.00 0.00 31.29 33.45 1veh h VAL 14 CO 0.05 0.77 -0.29 0.58 -1.01 0.00 0.00 177.57 177.67 1veh h VAL 15 N 0.23 0.40 -0.90 1.51 2.07 -1.96 -1.16 116.25 116.44 1veh h VAL 15 Ca -0.22 0.00 0.23 0.00 0.82 0.00 0.00 66.70 67.54 1veh h VAL 15 Cb 2.02 0.40 -0.05 0.00 -1.52 0.00 0.00 31.29 32.13 1veh h VAL 15 CO 0.25 0.00 0.62 0.00 0.02 0.00 0.00 177.57 178.47 1veh h ALA 16 N -0.28 2.51 0.76 1.67 0.00 -1.64 -0.73 119.26 121.56 1veh h ALA 16 Ca -0.06 -0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.81 1veh h ALA 16 Cb 0.60 0.02 0.01 0.00 0.00 0.00 0.00 17.79 18.42 1veh h ALA 16 CO 0.06 -0.79 -0.36 1.98 0.00 0.00 0.00 179.25 180.14 1veh h MET 17 N 0.21 -0.98 -0.15 0.00 4.05 -1.11 -2.77 114.93 114.17 1veh h MET 17 Ca 0.46 0.07 0.05 0.00 -0.28 0.00 0.00 59.70 59.99 1veh h MET 17 Cb 1.45 0.22 -0.06 0.00 -0.80 0.00 0.00 31.60 32.42 1veh h MET 17 CO -0.10 -0.64 -0.21 0.82 0.23 0.00 0.00 176.91 177.01 1veh h ILE 18 N -1.12 0.48 -0.90 1.77 2.04 -0.38 -1.02 117.51 118.38 1veh h ILE 18 Ca -0.10 0.00 0.19 0.00 1.00 0.00 0.00 64.86 65.95 1veh h ILE 18 Cb 0.80 0.48 -0.17 0.00 -0.74 0.00 0.00 36.82 37.19 1veh h ILE 18 CO 0.17 0.00 -0.18 0.29 0.00 0.00 0.00 178.15 178.43 1veh n LYS 19 N -5.35 -0.08 0.42 2.37 5.02 -0.41 0.92 118.16 121.04 1veh n LYS 19 Ca -0.02 1.40 -0.18 0.00 -2.02 0.00 0.00 58.31 57.48 1veh n LYS 19 Cb 0.26 -2.11 -0.09 0.00 -0.02 0.00 0.00 35.03 33.07 1veh n LYS 19 CO 0.00 0.00 0.00 0.93 -0.52 0.00 0.00 177.40 177.81 1veh h GLU 20 N 0.00 -1.10 -0.02 1.97 3.07 -0.90 0.89 114.58 118.49 1veh h GLU 20 Ca 0.45 0.07 0.01 0.00 -0.50 0.00 0.00 59.36 59.39 1veh h GLU 20 Cb 0.74 0.25 -0.00 0.00 -0.84 0.00 0.00 28.75 28.90 1veh h GLU 20 CO -0.91 -0.73 0.34 -0.07 -1.40 0.00 0.00 179.01 176.23 1veh h LEU 21 N -1.14 0.00 0.05 1.33 3.38 0.13 2.71 115.31 121.77 1veh h LEU 21 Ca -0.10 0.00 -0.30 0.00 0.09 0.00 0.00 57.88 57.57 1veh h LEU 21 Cb 0.91 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.63 1veh h LEU 21 CO 0.12 0.00 -1.63 -0.07 0.09 0.00 0.00 178.44 176.94 1veh h LEU 22 N 0.00 0.18 0.00 1.67 -0.00 0.20 -3.34 115.31 114.02 1veh h LEU 22 Ca 0.01 -0.31 -0.19 0.00 -0.00 0.00 0.00 57.88 57.39 1veh h LEU 22 Cb 0.69 -0.06 -0.03 0.00 -0.00 0.00 0.00 40.66 41.26 1veh h LEU 22 CO -0.00 1.27 -1.15 0.44 -0.00 0.00 0.00 178.44 179.00 1veh h ASP 23 N 0.03 0.00 0.00 -0.43 3.32 0.83 0.55 116.42 120.71 1veh h ASP 23 Ca -0.27 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.78 1veh h ASP 23 Cb 1.99 0.00 0.00 0.00 0.22 0.00 0.00 39.33 41.54 1veh h ASP 23 CO 0.11 0.73 0.00 0.35 -1.72 0.00 0.00 179.24 178.71 1veh n THR 24 N -3.10 0.00 -2.29 0.35 -2.24 0.83 -4.50 114.28 103.32 1veh n THR 24 Ca -0.06 0.03 -0.17 0.00 -2.27 0.00 0.00 64.05 61.58 1veh n THR 24 Cb 0.88 -0.72 0.03 0.00 -2.10 0.00 0.00 70.33 68.41 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 0.00 3.02 0.00 -0.78 1.74 -1.26 -4.65 116.66 114.73 1veh n ARG 25 Ca 0.00 -3.98 -0.01 0.00 -0.77 0.00 0.00 57.85 53.09 1veh n ARG 25 Cb 0.00 -2.06 -0.00 0.00 -1.02 0.00 0.00 32.46 29.37 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 -0.65 0.37 0.00 0.55 5.41 -1.23 -4.22 119.36 119.59 1veh n ILE 26 Ca 0.32 0.21 -0.12 0.00 1.00 0.00 0.00 62.75 64.17 1veh n ILE 26 Cb 0.90 -1.36 -0.06 0.00 -0.71 0.00 0.00 39.64 38.41 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 -0.10 0.10 0.00 0.38 2.43 -0.17 0.12 114.38 117.14 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 0.10 -0.02 0.00 0.00 -0.42 0.00 0.00 29.97 29.63 1veh h ARG 27 CO 0.00 0.16 0.00 -0.35 -1.51 0.00 0.00 179.97 178.27 1veh n PRO 28 N -4.99 0.44 -0.06 0.20 -0.04 -1.26 -2.85 135.00 126.45 1veh n PRO 28 Ca -0.06 0.05 -0.18 0.00 -0.04 0.00 0.00 63.50 63.27 1veh n PRO 28 Cb 0.08 -1.50 -0.13 0.00 -0.04 0.00 0.00 33.50 31.90 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 -1.20 1.62 -0.18 0.52 -1.04 -0.66 -4.25 114.28 109.09 1veh n THR 29 Ca 0.13 -0.65 -0.09 0.00 -2.04 0.00 0.00 64.05 61.40 1veh n THR 29 Cb 0.15 -1.45 0.01 0.00 -1.82 0.00 0.00 70.33 67.22 1veh n THR 29 CO 0.00 0.00 0.00 0.58 -0.64 0.00 0.00 175.07 175.01 1veh h VAL 30 N 0.03 1.25 -0.72 12.58 2.07 -0.65 -3.02 116.25 127.79 1veh h VAL 30 Ca -0.48 -0.92 0.12 0.00 0.82 0.00 0.00 66.70 66.24 1veh h VAL 30 Cb 2.00 0.86 -0.13 0.00 -1.52 0.00 0.00 31.29 32.49 1veh h VAL 30 CO 0.01 0.33 -0.34 1.56 0.02 0.00 0.00 177.57 179.15 1veh h GLN 31 N 0.72 -0.10 -1.12 1.57 4.20 -1.63 1.40 115.11 120.15 1veh h GLN 31 Ca 0.16 0.01 0.31 0.00 0.06 0.00 0.00 58.65 59.19 1veh h GLN 31 Cb 0.38 0.02 -0.06 0.00 0.30 0.00 0.00 27.48 28.13 1veh h GLN 31 CO 0.01 -0.07 0.78 0.93 -0.67 0.00 0.00 178.83 179.81 1veh h GLU 32 N -0.10 0.11 0.00 1.46 5.08 -1.70 -2.42 114.58 117.00 1veh h GLU 32 Ca 0.28 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.63 1veh h GLU 32 Cb 0.57 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.79 1veh h GLU 32 CO -0.78 0.07 -0.03 0.22 -1.00 0.00 0.00 179.01 177.49 1veh h ASP 33 N 0.11 0.00 0.00 1.42 3.58 0.16 -3.50 116.42 118.19 1veh h ASP 33 Ca 0.56 0.00 0.00 0.00 0.42 0.00 0.00 57.03 58.01 1veh h ASP 33 Cb 2.00 0.00 0.00 0.00 1.72 0.00 0.00 39.33 43.05 1veh h ASP 33 CO -0.09 0.16 0.00 0.61 -2.88 0.00 0.00 179.24 177.04 1veh n GLY 34 N 1.90 -0.81 3.40 -0.78 0.00 0.10 -4.99 105.19 104.01 1veh n GLY 34 Ca -0.00 0.21 -0.03 0.00 0.00 0.00 0.00 46.02 46.20 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 0.70 3.06 -0.02 0.00 -1.23 -4.05 105.19 103.66 1veh n GLY 35 Ca 0.00 -1.13 -0.12 0.00 0.00 0.00 0.00 46.02 44.77 1veh n GLY 35 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1veh s ASP 36 N -3.14 0.16 -0.19 1.61 1.47 -1.25 -3.86 116.67 111.47 1veh s ASP 36 Ca 0.20 0.67 -0.15 0.00 1.18 0.00 0.00 52.55 54.45 1veh s ASP 36 Cb -0.03 0.78 -0.04 0.00 -0.34 0.00 0.00 42.92 43.30 1veh s ASP 36 CO 0.05 -0.23 0.34 0.54 0.68 0.00 0.00 175.17 176.56 1veh s VAL 37 N 2.30 5.25 -0.37 2.11 0.11 -1.26 -3.62 120.40 124.92 1veh s VAL 37 Ca -0.01 0.61 0.00 0.00 -2.93 0.00 0.00 61.98 59.66 1veh s VAL 37 Cb -0.12 -3.68 0.12 0.00 -1.53 0.00 0.00 36.38 31.17 1veh s VAL 37 CO -0.09 0.30 0.17 -0.63 -3.33 0.00 0.00 175.10 171.52 1veh s ILE 38 N 1.03 0.99 -0.50 7.04 1.09 -1.26 -4.92 121.20 124.68 1veh s ILE 38 Ca 0.17 -1.90 -0.27 0.00 -1.10 0.00 0.00 60.65 57.55 1veh s ILE 38 Cb -0.14 -1.73 -0.02 0.00 -1.06 0.00 0.00 42.46 39.52 1veh s ILE 38 CO 0.07 -0.80 1.80 -0.47 -0.10 0.00 0.00 174.94 175.43 1veh s TYR 39 N 1.04 1.77 -0.42 3.97 5.04 -1.25 -2.06 117.35 125.44 1veh s TYR 39 Ca 0.14 0.73 0.02 0.00 -2.44 0.00 0.00 57.07 55.52 1veh s TYR 39 Cb -0.21 -4.12 0.13 0.00 0.35 0.00 0.00 41.96 38.11 1veh s TYR 39 CO -0.12 -2.48 0.21 1.03 -1.34 0.00 0.00 175.55 172.85 1veh s ARG 40 N 6.42 1.25 0.00 4.97 1.81 0.50 -4.97 118.95 128.93 1veh s ARG 40 Ca 0.71 -1.88 0.00 0.00 -1.72 0.00 0.00 55.73 52.84 1veh s ARG 40 Cb -0.16 -2.39 0.00 0.00 -0.45 0.00 0.00 34.95 31.95 1veh s ARG 40 CO 0.26 -1.12 0.00 0.41 -0.68 0.00 0.00 175.30 174.17 1veh n GLY 41 N 3.77 2.58 2.70 -3.53 0.00 -1.26 -4.51 105.19 104.95 1veh n GLY 41 Ca 0.06 -1.51 -0.21 0.00 0.00 0.00 0.00 46.02 44.37 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 -0.74 -0.13 0.04 1.61 5.36 -1.26 -0.38 117.98 122.49 1veh s PHE 42 Ca 0.00 -0.07 0.02 0.00 -0.96 0.00 0.00 56.93 55.92 1veh s PHE 42 Cb 0.00 -0.51 -0.03 0.00 -0.34 0.00 0.00 43.02 42.15 1veh s PHE 42 CO 0.00 -0.64 -0.07 -1.21 -1.46 0.00 0.00 175.22 171.84 1veh s GLU 43 N 2.26 0.53 -0.01 10.12 0.41 -1.12 -4.79 118.70 126.10 1veh s GLU 43 Ca 0.06 -0.80 0.00 0.00 -0.41 0.00 0.00 54.97 53.82 1veh s GLU 43 Cb -0.16 -0.21 0.00 0.00 -1.78 0.00 0.00 34.13 31.99 1veh s GLU 43 CO -0.16 0.02 0.00 -3.47 -0.49 0.00 0.00 175.26 171.16 1veh n ASP 44 N 1.30 -0.99 0.00 -0.19 2.03 -1.26 0.12 116.55 117.56 1veh n ASP 44 Ca -0.22 0.48 0.00 0.00 0.52 0.00 0.00 54.79 55.58 1veh n ASP 44 Cb 0.55 -1.00 0.00 0.00 -0.72 0.00 0.00 41.12 39.95 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 -0.49 1.64 3.49 0.27 0.00 -1.26 -4.19 105.19 104.65 1veh n GLY 45 Ca -0.00 -0.23 -0.42 0.00 0.00 0.00 0.00 46.02 45.37 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 -2.60 -0.61 2.08 0.33 -3.00 119.36 115.55 1veh n ILE 46 Ca 0.00 -0.18 -0.43 0.00 0.56 0.00 0.00 62.75 62.70 1veh n ILE 46 Cb 0.00 -1.03 -0.02 0.00 -0.75 0.00 0.00 39.64 37.84 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 9.38 4.33 -0.40 1.39 1.01 -0.86 -2.80 120.40 132.44 1veh s VAL 47 Ca 1.26 1.45 -0.29 0.00 0.00 0.00 0.00 61.98 64.40 1veh s VAL 47 Cb -1.03 -4.49 0.00 0.00 0.00 0.00 0.00 36.38 30.86 1veh s VAL 47 CO 0.45 -0.74 1.51 -0.13 0.00 0.00 0.00 175.10 176.19 1veh s ARG 48 N 4.09 3.49 -0.04 2.72 0.52 0.49 -3.50 118.95 126.73 1veh s ARG 48 Ca 0.48 1.02 0.02 0.00 -0.52 0.00 0.00 55.73 56.73 1veh s ARG 48 Cb -0.10 -4.07 0.01 0.00 0.52 0.00 0.00 34.95 31.30 1veh s ARG 48 CO 0.24 -1.67 -0.10 -0.51 0.02 0.00 0.00 175.30 173.28 1veh s LEU 49 N 5.85 1.68 -1.22 2.53 1.43 -0.99 0.19 118.68 128.15 1veh s LEU 49 Ca 0.65 -0.22 -0.08 0.00 -1.03 0.00 0.00 54.13 53.46 1veh s LEU 49 Cb -0.15 -0.64 0.21 0.00 0.03 0.00 0.00 46.19 45.63 1veh s LEU 49 CO 0.33 0.04 1.76 1.17 0.23 0.00 0.00 176.35 179.88 1veh n LYS 50 N 3.55 3.90 -3.23 1.70 4.81 -0.87 -1.63 118.16 126.39 1veh n LYS 50 Ca -0.21 -3.85 -0.32 0.00 -0.87 0.00 0.00 58.31 53.07 1veh n LYS 50 Cb 0.53 -2.79 -0.05 0.00 0.02 0.00 0.00 35.03 32.73 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 -1.00 4.08 -0.25 3.14 0.05 -1.24 -4.15 118.68 119.31 1veh s LEU 51 Ca 0.37 1.08 -0.10 0.00 0.05 0.00 0.00 54.13 55.52 1veh s LEU 51 Cb 0.08 -3.87 0.10 0.00 -2.05 0.00 0.00 46.19 40.45 1veh s LEU 51 CO 0.04 -0.17 0.57 -1.58 -0.55 0.00 0.00 176.35 174.65 1veh s GLN 52 N -3.05 0.51 0.42 1.48 0.74 -1.26 -4.91 119.66 113.59 1veh s GLN 52 Ca 0.50 1.21 0.04 0.00 0.05 0.00 0.00 55.36 57.17 1veh s GLN 52 Cb -0.11 0.47 -0.02 0.00 1.10 0.00 0.00 33.01 34.45 1veh s GLN 52 CO 0.21 -0.20 0.15 0.41 -0.55 0.00 0.00 175.29 175.31 1veh n GLY 53 N 5.05 3.22 0.11 2.59 0.00 -1.26 -3.64 105.19 111.27 1veh n GLY 53 Ca -0.14 -2.12 0.05 0.00 0.00 0.00 0.00 46.02 43.81 1veh n GLY 53 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 1veh h SER 54 N 1.65 0.00 -1.11 1.61 0.87 -1.95 -3.33 113.55 111.29 1veh h SER 54 Ca -0.32 0.00 -0.57 0.00 -1.23 0.00 0.00 61.79 59.67 1veh h SER 54 Cb 1.23 0.00 -0.22 0.00 -0.44 0.00 0.00 62.40 62.97 1veh h SER 54 CO 0.51 0.32 0.69 0.00 -0.53 0.00 0.00 176.83 177.82 1veh n THR 56 N -0.11 0.00 0.33 0.00 -1.04 -1.25 -4.30 114.28 107.91 1veh n THR 56 Ca 0.50 -0.34 0.15 0.00 -2.04 0.00 0.00 64.05 62.31 1veh n THR 56 Cb 0.52 1.18 0.56 0.00 -1.82 0.00 0.00 70.33 70.77 1veh n THR 56 CO 0.00 0.00 0.00 -1.28 -0.64 0.00 0.00 175.07 173.15 1veh h SER 57 N 1.66 0.00 -3.32 8.00 0.87 -1.89 -3.41 113.55 115.46 1veh h SER 57 Ca 0.00 0.00 -0.55 0.00 -1.23 0.00 0.00 61.79 60.01 1veh h SER 57 Cb 0.51 0.00 -0.34 0.00 -0.44 0.00 0.00 62.40 62.13 1veh h SER 57 CO 0.00 0.00 -0.82 0.00 -0.53 0.00 0.00 176.83 175.48 1veh h PRO 59 N 7.32 0.00 0.89 0.00 0.13 -1.89 -3.12 132.00 135.33 1veh h PRO 59 Ca -0.30 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 64.78 1veh h PRO 59 Cb 1.18 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.31 1veh h PRO 59 CO 0.47 0.00 -0.48 0.77 -0.23 0.00 0.00 178.00 178.54 1veh h SER 60 N 0.00 -1.16 -0.63 1.44 0.02 -1.94 1.41 113.55 112.69 1veh h SER 60 Ca 0.00 0.05 -0.03 0.00 -0.84 0.00 0.00 61.79 60.97 1veh h SER 60 Cb 0.62 0.32 -0.03 0.00 0.14 0.00 0.00 62.40 63.44 1veh h SER 60 CO 0.00 -0.77 0.27 -1.28 -1.14 0.00 0.00 176.83 173.91 1veh h SER 61 N -1.25 0.87 0.68 3.07 0.87 -1.88 0.46 113.55 116.38 1veh h SER 61 Ca -0.12 -0.11 -0.03 0.00 -1.23 0.00 0.00 61.79 60.29 1veh h SER 61 Cb 0.98 -0.22 0.01 0.00 -0.44 0.00 0.00 62.40 62.72 1veh h SER 61 CO 0.17 0.77 -0.33 0.40 -0.53 0.00 0.00 176.83 177.31 1veh h ILE 62 N 0.94 0.00 0.00 2.23 2.04 -1.44 1.50 117.51 122.78 1veh h ILE 62 Ca 0.22 -0.14 0.00 0.00 1.00 0.00 0.00 64.86 65.94 1veh h ILE 62 Cb 0.16 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 36.24 1veh h ILE 62 CO -0.02 0.00 0.13 0.40 0.00 0.00 0.00 178.15 178.66 1veh h ILE 63 N -1.06 0.00 0.10 -0.67 2.04 0.20 1.69 117.51 119.80 1veh h ILE 63 Ca -0.09 0.00 -0.33 0.00 1.00 0.00 0.00 64.86 65.43 1veh h ILE 63 Cb 0.70 0.54 -0.02 0.00 -0.74 0.00 0.00 36.82 37.30 1veh h ILE 63 CO 0.15 0.00 -1.80 0.74 0.00 0.00 0.00 178.15 177.24 1veh h THR 64 N 0.00 0.71 0.00 -0.27 2.02 -0.22 -3.32 112.91 111.83 1veh h THR 64 Ca 0.00 -2.31 0.00 0.00 0.77 0.00 0.00 66.41 64.87 1veh h THR 64 Cb 0.26 2.44 0.00 0.00 -1.74 0.00 0.00 68.15 69.11 1veh h THR 64 CO 0.00 0.75 -0.16 0.18 0.37 0.00 0.00 175.52 176.66 1veh n LEU 65 N -3.73 0.51 -0.19 2.58 4.32 0.51 -3.08 117.00 117.92 1veh n LEU 65 Ca -0.32 0.32 -0.09 0.00 -0.02 0.00 0.00 56.01 55.91 1veh n LEU 65 Cb 0.96 -0.60 -0.07 0.00 -1.62 0.00 0.00 43.42 42.09 1veh n LEU 65 CO 0.37 -0.49 0.49 0.50 -1.22 0.00 0.00 177.39 177.05 1veh h LYS 66 N -0.28 -0.13 -0.31 3.23 3.64 0.22 0.43 116.57 123.37 1veh h LYS 66 Ca 0.00 0.01 0.07 0.00 -1.27 0.00 0.00 60.65 59.46 1veh h LYS 66 Cb 0.16 0.03 -0.07 0.00 -0.41 0.00 0.00 32.23 31.94 1veh h LYS 66 CO 0.00 -0.09 -0.19 1.03 -2.27 0.00 0.00 179.45 177.93 1veh h SER 67 N -0.14 -0.64 -0.93 4.20 0.87 -1.54 0.30 113.55 115.68 1veh h SER 67 Ca 0.08 0.14 0.23 0.00 -1.23 0.00 0.00 61.79 61.01 1veh h SER 67 Cb 0.35 0.33 -0.13 0.00 -0.44 0.00 0.00 62.40 62.51 1veh h SER 67 CO -0.53 -0.23 0.45 1.23 -0.53 0.00 0.00 176.83 177.22 1veh h GLY 68 N -0.16 1.65 0.80 5.77 0.00 -0.86 -0.75 103.07 109.52 1veh h GLY 68 Ca 0.16 -0.20 -0.03 0.00 0.00 0.00 0.00 47.33 47.26 1veh h GLY 68 CO -0.41 -0.28 -0.30 -2.22 0.00 0.00 0.00 176.54 173.34 1veh h ILE 69 N 0.43 0.27 -0.92 2.60 2.04 0.17 -2.84 117.51 119.27 1veh h ILE 69 Ca 0.59 -0.28 0.37 0.00 1.00 0.00 0.00 64.86 66.54 1veh h ILE 69 Cb 1.14 0.35 -0.17 0.00 -0.74 0.00 0.00 36.82 37.40 1veh h ILE 69 CO -0.52 0.03 0.43 1.67 0.00 0.00 0.00 178.15 179.76 1veh n GLN 70 N -5.37 -0.06 0.19 2.37 0.00 -0.36 0.30 117.38 114.45 1veh n GLN 70 Ca -0.12 1.29 -0.12 0.00 -0.00 0.00 0.00 57.00 58.05 1veh n GLN 70 Cb 0.36 -2.27 -0.06 0.00 0.00 0.00 0.00 30.24 28.26 1veh n GLN 70 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 177.06 176.09 1veh h ASN 71 N 0.00 -0.92 -0.70 1.69 -1.24 -1.12 0.87 115.58 114.17 1veh h ASN 71 Ca 0.75 0.07 0.14 0.00 0.71 0.00 0.00 56.30 57.97 1veh h ASN 71 Cb 1.95 0.31 -0.13 0.00 0.73 0.00 0.00 38.32 41.17 1veh h ASN 71 CO -0.73 -0.43 -0.21 -0.03 -1.29 0.00 0.00 177.43 174.74 1veh h MET 72 N -0.65 -0.03 -0.45 6.67 4.05 -0.10 1.58 114.93 126.00 1veh h MET 72 Ca -0.04 0.00 0.01 0.00 -0.28 0.00 0.00 59.70 59.39 1veh h MET 72 Cb 0.57 0.01 -0.02 0.00 -0.80 0.00 0.00 31.60 31.35 1veh h MET 72 CO -0.05 -0.02 0.30 1.25 0.23 0.00 0.00 176.91 178.62 1veh h LEU 73 N -0.03 0.51 0.56 3.39 7.12 -0.96 -2.53 115.31 123.37 1veh h LEU 73 Ca 0.33 -0.01 -0.03 0.00 0.13 0.00 0.00 57.88 58.30 1veh h LEU 73 Cb 0.53 -0.13 0.01 0.00 -0.53 0.00 0.00 40.66 40.54 1veh h LEU 73 CO -0.73 0.37 -0.27 1.56 -0.13 0.00 0.00 178.44 179.24 1veh h GLN 74 N 0.61 -0.72 -0.92 1.25 1.08 0.44 0.14 115.11 116.99 1veh h GLN 74 Ca 0.17 0.05 0.23 0.00 -1.45 0.00 0.00 58.65 57.64 1veh h GLN 74 Cb -0.06 0.16 -0.17 0.00 -0.05 0.00 0.00 27.48 27.36 1veh h GLN 74 CO -0.04 -0.43 -0.07 0.34 -0.95 0.00 0.00 178.83 177.68 1veh n PHE 75 N -5.36 0.49 0.05 2.96 -0.00 0.50 -0.74 117.46 115.37 1veh n PHE 75 Ca -0.12 1.11 -0.10 0.00 -0.00 0.00 0.00 57.45 58.34 1veh n PHE 75 Cb 0.33 -1.13 -0.07 0.00 -0.00 0.00 0.00 39.48 38.61 1veh n PHE 75 CO 0.00 0.00 0.00 1.88 -0.00 0.00 0.00 176.76 178.64 1veh h TYR 76 N 0.00 -0.21 -3.54 -5.13 0.05 -1.30 -3.42 116.97 103.42 1veh h TYR 76 Ca 0.52 -0.00 -0.71 0.00 0.05 0.00 0.00 58.73 58.58 1veh h TYR 76 Cb 0.98 0.07 -0.23 0.00 1.01 0.00 0.00 36.73 38.56 1veh h TYR 76 CO -0.55 0.20 -0.47 0.42 -1.05 0.00 0.00 178.16 176.70 1veh s ILE 77 N -3.20 4.88 -1.65 -2.88 -1.09 0.48 -4.92 121.20 112.82 1veh s ILE 77 Ca -0.11 -0.78 0.23 0.00 -2.23 0.00 0.00 60.65 57.76 1veh s ILE 77 Cb 0.00 -3.73 0.51 0.00 -1.58 0.00 0.00 42.46 37.66 1veh s ILE 77 CO 0.42 -0.28 1.77 -0.81 -1.23 0.00 0.00 174.94 174.81 1veh n PRO 78 N 5.07 0.49 0.06 2.79 -0.04 -1.16 -3.72 135.00 138.50 1veh n PRO 78 Ca -0.11 0.04 -0.03 0.00 -0.04 0.00 0.00 63.50 63.36 1veh n PRO 78 Cb 0.46 -1.50 -0.01 0.00 -0.04 0.00 0.00 33.50 32.41 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 -0.16 -6.23 0.54 4.39 -1.91 -3.45 114.58 107.75 1veh h GLU 79 Ca 0.00 0.01 -0.55 0.00 0.34 0.00 0.00 59.36 59.16 1veh h GLU 79 Cb 0.13 0.04 0.23 0.00 -0.10 0.00 0.00 28.75 29.04 1veh h GLU 79 CO 0.00 -0.11 -1.42 1.55 -1.16 0.00 0.00 179.01 177.87 1veh n VAL 80 N -2.78 0.10 0.00 3.13 3.14 -1.24 -4.19 118.33 116.48 1veh n VAL 80 Ca -0.02 -0.42 0.00 0.00 -2.96 0.00 0.00 64.34 60.94 1veh n VAL 80 Cb 0.07 -0.19 0.00 0.00 -1.06 0.00 0.00 33.84 32.65 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 1.21 0.00 -1.53 1.45 1.02 -1.16 -4.81 120.64 116.82 1veh n GLU 81 Ca 0.01 0.00 -0.00 0.00 -0.02 0.00 0.00 57.16 57.15 1veh n GLU 81 Cb 0.54 -0.48 -0.00 0.00 -0.02 0.00 0.00 31.44 31.48 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 2.38 3.05 3.14 0.62 0.00 -1.26 -4.89 105.19 108.23 1veh n GLY 82 Ca 0.00 -1.35 -0.16 0.00 0.00 0.00 0.00 46.02 44.51 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 -2.48 0.90 0.06 1.61 1.01 -1.26 -2.03 120.40 118.21 1veh s VAL 83 Ca 0.00 -1.33 -0.09 0.00 0.00 0.00 0.00 61.98 60.56 1veh s VAL 83 Cb -0.00 -1.01 0.00 0.00 0.00 0.00 0.00 36.38 35.37 1veh s VAL 83 CO 0.00 -0.36 0.19 -1.61 0.00 0.00 0.00 175.10 173.32 1veh s GLU 84 N -1.97 0.74 -0.78 2.72 0.41 -1.23 -4.96 118.70 113.64 1veh s GLU 84 Ca -0.02 -0.75 -0.15 0.00 -0.41 0.00 0.00 54.97 53.64 1veh s GLU 84 Cb -0.08 0.31 0.20 0.00 -1.78 0.00 0.00 34.13 32.77 1veh s GLU 84 CO 0.01 -0.22 0.73 -1.14 -0.49 0.00 0.00 175.26 174.15 1veh s GLN 85 N -3.02 3.49 -0.59 1.61 -0.44 -1.24 -2.36 119.66 117.11 1veh s GLN 85 Ca -0.02 -2.28 -0.27 0.00 -2.50 0.00 0.00 55.36 50.30 1veh s GLN 85 Cb 0.01 -4.42 -0.02 0.00 -1.64 0.00 0.00 33.01 26.94 1veh s GLN 85 CO -0.06 -1.32 1.80 0.14 0.50 0.00 0.00 175.29 176.34 1veh s VAL 86 N 0.57 3.41 0.03 1.34 -7.23 -0.64 -4.86 120.40 113.01 1veh s VAL 86 Ca 0.16 0.26 -0.23 0.00 -1.81 0.00 0.00 61.98 60.36 1veh s VAL 86 Cb -0.14 -4.00 -0.12 0.00 0.56 0.00 0.00 36.38 32.68 1veh s VAL 86 CO -0.07 -0.94 1.21 0.28 -0.31 0.00 0.00 175.10 175.28 1veh h SER 87 N 14.33 -0.69 -4.24 4.85 0.02 -1.94 -3.37 113.55 122.51 1veh h SER 87 Ca -0.27 0.02 0.00 0.00 -0.84 0.00 0.00 61.79 60.71 1veh h SER 87 Cb 1.15 0.18 0.00 0.00 0.14 0.00 0.00 62.40 63.87 1veh h SER 87 CO 1.21 -0.45 0.00 0.61 -1.14 0.00 0.00 176.83 177.05 1veh n GLY 88 N -1.05 -1.15 3.57 -3.77 0.00 -1.26 -4.66 105.19 96.87 1veh n GLY 88 Ca -0.10 -1.62 -0.35 0.00 0.00 0.00 0.00 46.02 43.95 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 -1.92 3.17 -0.12 1.61 0.04 -1.26 -4.87 135.00 131.65 1veh s PRO 89 Ca 0.00 -1.13 -0.06 0.00 0.04 0.00 0.00 61.00 59.85 1veh s PRO 89 Cb 0.00 -5.30 0.05 0.00 0.04 0.00 0.00 34.50 29.29 1veh s PRO 89 CO 0.00 -2.93 0.28 0.45 0.04 0.00 0.00 177.00 174.84 1veh s SER 90 N 5.92 -0.28 -0.04 6.66 0.15 -1.26 -5.04 113.70 119.80 1veh s SER 90 Ca 0.59 0.59 -0.04 0.00 0.70 0.00 0.00 55.95 57.80 1veh s SER 90 Cb -0.01 0.49 0.01 0.00 -1.71 0.00 0.00 66.02 64.80 1veh s SER 90 CO 0.02 -0.17 0.07 -0.24 1.20 0.00 0.00 173.24 174.12 1veh n SER 91 N 4.29 -6.28 0.00 5.45 2.88 -1.26 -5.16 113.62 113.55 1veh n SER 91 Ca -0.24 1.65 0.00 0.00 -1.33 0.00 0.00 58.87 58.95 1veh n SER 91 Cb 0.53 -4.91 0.00 0.00 -0.75 0.00 0.00 64.21 59.08 1veh n SER 91 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42