#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wql n GLN 4 N 0.00 2.44 -4.06 0.00 7.27 -1.26 -4.82 117.38 116.96 2wql n GLN 4 Ca 0.00 0.87 -0.09 0.00 0.07 0.00 0.00 57.00 57.84 2wql n GLN 4 Cb 0.00 -2.59 -0.09 0.00 2.41 0.00 0.00 30.24 29.98 2wql n GLN 4 CO 0.00 0.00 0.00 -1.54 0.07 0.00 0.00 177.06 175.59 2wql s SER 5 N 0.29 0.22 -0.10 1.69 1.04 -1.26 -0.81 113.70 114.78 2wql s SER 5 Ca 0.63 -1.03 -0.21 0.00 0.48 0.00 0.00 55.95 55.82 2wql s SER 5 Cb -0.55 0.33 0.05 0.00 0.10 0.00 0.00 66.02 65.96 2wql s SER 5 CO 0.52 -0.77 0.51 -2.28 0.98 0.00 0.00 173.24 172.20 2wql s HIS 6 N -3.99 -0.48 0.08 5.02 5.04 -0.14 -4.99 115.29 115.82 2wql s HIS 6 Ca 0.18 0.98 0.07 0.00 -1.54 0.00 0.00 55.06 54.75 2wql s HIS 6 Cb 0.06 0.23 -0.03 0.00 0.04 0.00 0.00 32.58 32.88 2wql s HIS 6 CO -0.01 -0.42 -0.19 -1.54 -2.34 0.00 0.00 174.74 170.24 2wql s SER 7 N -0.67 2.25 -0.08 9.88 1.04 -1.26 -0.34 113.70 124.51 2wql s SER 7 Ca -0.08 -0.61 0.02 0.00 0.48 0.00 0.00 55.95 55.76 2wql s SER 7 Cb -0.03 -0.13 0.02 0.00 0.10 0.00 0.00 66.02 65.98 2wql s SER 7 CO 0.05 0.05 -0.11 -0.22 0.98 0.00 0.00 173.24 173.98 2wql s LEU 8 N -1.65 1.56 -0.15 2.42 2.96 0.06 -4.99 118.68 118.89 2wql s LEU 8 Ca 0.04 -0.30 0.00 0.00 -0.22 0.00 0.00 54.13 53.65 2wql s LEU 8 Cb -0.10 -0.84 -0.00 0.00 0.50 0.00 0.00 46.19 45.75 2wql s LEU 8 CO 0.03 0.00 -0.15 -1.61 -1.32 0.00 0.00 176.35 173.31 2wql s GLU 9 N 0.88 3.24 -0.14 1.98 8.01 -1.26 -0.82 118.70 130.59 2wql s GLU 9 Ca -0.11 -0.74 0.02 0.00 0.01 0.00 0.00 54.97 54.16 2wql s GLU 9 Cb -0.15 -2.64 0.01 0.00 -4.31 0.00 0.00 34.13 27.04 2wql s GLU 9 CO 0.01 0.03 -0.20 0.42 0.01 0.00 0.00 175.26 175.53 2wql s ILE 10 N 0.79 1.95 0.18 -1.63 1.01 -0.46 -4.95 121.20 118.09 2wql s ILE 10 Ca -0.05 -0.91 -0.15 0.00 0.00 0.00 0.00 60.65 59.54 2wql s ILE 10 Cb -0.15 -1.74 -0.07 0.00 0.01 0.00 0.00 42.46 40.50 2wql s ILE 10 CO 0.00 0.53 0.61 -0.89 0.00 0.00 0.00 174.94 175.19 2wql s THR 11 N 0.93 4.77 -0.01 2.92 2.01 -1.26 -0.75 115.64 124.26 2wql s THR 11 Ca -0.05 0.93 -0.10 0.00 0.31 0.00 0.00 61.69 62.79 2wql s THR 11 Cb -0.15 -3.75 0.01 0.00 0.01 0.00 0.00 72.50 68.62 2wql s THR 11 CO -0.04 0.19 0.19 -0.55 -0.69 0.00 0.00 174.62 173.73 2wql s SER 12 N -1.77 -0.05 0.14 3.53 0.15 -0.40 -4.99 113.70 110.31 2wql s SER 12 Ca 0.41 -0.09 0.27 0.00 0.70 0.00 0.00 55.95 57.24 2wql s SER 12 Cb -0.15 0.25 0.89 0.00 -1.71 0.00 0.00 66.02 65.30 2wql s SER 12 CO 0.20 -0.38 1.78 -1.54 1.20 0.00 0.00 173.24 174.49 2wql n SER 13 N 1.47 0.57 -4.80 5.45 3.41 -1.26 -1.06 113.62 117.40 2wql n SER 13 Ca -0.22 0.50 -0.34 0.00 -0.26 0.00 0.00 58.87 58.55 2wql n SER 13 Cb 0.56 -0.62 -0.06 0.00 -0.26 0.00 0.00 64.21 63.83 2wql n SER 13 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 2wql s VAL 14 N -3.07 4.17 0.76 -3.33 1.01 -1.26 -4.03 120.40 114.65 2wql s VAL 14 Ca 0.11 1.48 -0.12 0.00 0.00 0.00 0.00 61.98 63.45 2wql s VAL 14 Cb 0.14 -3.67 0.05 0.00 0.00 0.00 0.00 36.38 32.91 2wql s VAL 14 CO 0.59 -0.17 1.12 -0.94 0.00 0.00 0.00 175.10 175.70 2wql s SER 15 N -1.95 4.36 0.12 3.32 1.04 -1.24 -3.03 113.70 116.32 2wql s SER 15 Ca 0.60 1.99 -0.19 0.00 0.48 0.00 0.00 55.95 58.83 2wql s SER 15 Cb -0.14 -2.54 -0.05 0.00 0.10 0.00 0.00 66.02 63.39 2wql s SER 15 CO 0.18 -2.13 1.75 0.00 0.98 0.00 0.00 173.24 174.02 2wql h ALA 16 N -0.87 0.33 -0.54 5.32 0.00 -1.82 -1.03 119.26 120.65 2wql h ALA 16 Ca -0.45 -0.04 0.07 0.00 0.00 0.00 0.00 54.91 54.50 2wql h ALA 16 Cb 1.25 -0.11 -0.06 0.00 0.00 0.00 0.00 17.79 18.87 2wql h ALA 16 CO 0.50 -0.17 0.21 0.93 0.00 0.00 0.00 179.25 180.72 2wql h GLU 17 N 0.33 0.39 -0.27 0.00 5.08 -1.92 -1.67 114.58 116.51 2wql h GLU 17 Ca 0.09 -0.02 -0.18 0.00 -1.00 0.00 0.00 59.36 58.25 2wql h GLU 17 Cb 0.01 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.18 2wql h GLU 17 CO -0.02 0.25 -0.53 -0.22 -1.00 0.00 0.00 179.01 177.50 2wql h LYS 18 N 0.40 0.83 -0.11 2.33 3.64 -1.87 -1.92 116.57 119.87 2wql h LYS 18 Ca 0.26 -0.54 -0.00 0.00 -1.27 0.00 0.00 60.65 59.11 2wql h LYS 18 Cb 0.28 0.07 -0.00 0.00 -0.41 0.00 0.00 32.23 32.17 2wql h LYS 18 CO -0.26 1.17 0.06 0.82 -2.27 0.00 0.00 179.45 178.97 2wql h ILE 19 N 0.59 1.09 -0.96 2.00 1.08 -1.06 -2.20 117.51 118.05 2wql h ILE 19 Ca 0.01 -0.25 0.06 0.00 -0.39 0.00 0.00 64.86 64.29 2wql h ILE 19 Cb 1.14 1.07 -0.06 0.00 -3.07 0.00 0.00 36.82 35.89 2wql h ILE 19 CO 0.12 0.08 0.62 0.15 -0.69 0.00 0.00 178.15 178.43 2wql h PHE 20 N 0.07 1.14 -0.22 1.37 3.57 -1.25 0.99 116.94 122.62 2wql h PHE 20 Ca 0.04 0.03 -0.09 0.00 3.53 0.00 0.00 57.97 61.48 2wql h PHE 20 Cb 0.08 -0.38 -0.01 0.00 2.79 0.00 0.00 35.95 38.43 2wql h PHE 20 CO -0.04 0.61 -0.23 0.66 -2.23 0.00 0.00 178.31 177.07 2wql h SER 21 N 1.13 0.40 0.06 0.41 4.64 -1.07 -0.92 113.55 118.21 2wql h SER 21 Ca 0.41 -0.13 -0.19 0.00 -0.47 0.00 0.00 61.79 61.41 2wql h SER 21 Cb 0.14 -0.11 0.02 0.00 -0.31 0.00 0.00 62.40 62.14 2wql h SER 21 CO -0.15 0.64 -0.77 1.23 -0.87 0.00 0.00 176.83 176.91 2wql h GLY 22 N 0.99 0.47 -0.04 -0.77 0.00 -0.47 0.15 103.07 103.40 2wql h GLY 22 Ca 0.06 -0.94 0.00 0.00 0.00 0.00 0.00 47.33 46.45 2wql h GLY 22 CO 0.04 0.83 -0.51 0.29 0.00 0.00 0.00 176.54 177.19 2wql n ILE 23 N -4.12 0.00 0.04 2.60 -5.35 0.18 -3.50 119.36 109.20 2wql n ILE 23 Ca -0.12 -0.12 0.00 0.00 -0.27 0.00 0.00 62.75 62.24 2wql n ILE 23 Cb 0.77 0.74 0.00 0.00 -1.74 0.00 0.00 39.64 39.41 2wql n ILE 23 CO 0.00 0.00 0.00 0.52 -1.76 0.00 0.00 176.55 175.31 2wql n VAL 24 N -0.78 0.34 -0.10 7.28 0.31 -0.37 -4.77 118.33 120.24 2wql n VAL 24 Ca 0.08 0.11 -0.10 0.00 -0.01 0.00 0.00 64.34 64.43 2wql n VAL 24 Cb 0.38 -0.87 -0.03 0.00 -0.91 0.00 0.00 33.84 32.41 2wql n VAL 24 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 2wql h LEU 25 N 0.00 0.46 -3.01 7.52 3.38 -1.41 -3.18 115.31 119.08 2wql h LEU 25 Ca 0.00 -0.23 0.00 0.00 0.09 0.00 0.00 57.88 57.74 2wql h LEU 25 Cb 0.00 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 40.63 2wql h LEU 25 CO 0.00 0.57 0.00 0.47 0.09 0.00 0.00 178.44 179.57 2wql n ASP 26 N -4.66 3.46 -0.34 -0.43 8.00 0.51 -4.74 116.55 118.35 2wql n ASP 26 Ca -0.02 -2.32 0.17 0.00 0.71 0.00 0.00 54.79 53.33 2wql n ASP 26 Cb 0.19 -0.37 0.38 0.00 -0.02 0.00 0.00 41.12 41.30 2wql n ASP 26 CO 0.00 0.00 0.00 1.62 -0.39 0.00 0.00 177.20 178.43 2wql h VAL 27 N 2.34 0.61 -0.02 2.53 3.04 -1.59 -0.78 116.25 122.39 2wql h VAL 27 Ca 0.00 -0.21 -0.08 0.00 -1.01 0.00 0.00 66.70 65.40 2wql h VAL 27 Cb 1.02 -0.07 -0.01 0.00 -2.01 0.00 0.00 31.29 30.22 2wql h VAL 27 CO 0.09 0.11 -0.36 0.44 -1.01 0.00 0.00 177.57 176.84 2wql h ASP 28 N 0.62 0.03 0.39 3.17 3.32 -1.86 -1.38 116.42 120.72 2wql h ASP 28 Ca 0.61 -0.01 -0.18 0.00 0.02 0.00 0.00 57.03 57.46 2wql h ASP 28 Cb 1.13 -0.01 -0.03 0.00 0.22 0.00 0.00 39.33 40.64 2wql h ASP 28 CO -0.40 0.39 -1.76 0.35 -1.72 0.00 0.00 179.24 176.10 2wql n THR 29 N -4.10 0.99 -0.03 0.35 -2.24 -0.82 -4.49 114.28 103.94 2wql n THR 29 Ca -0.02 -0.69 -0.15 0.00 -2.27 0.00 0.00 64.05 60.92 2wql n THR 29 Cb 0.41 -0.52 -0.10 0.00 -2.10 0.00 0.00 70.33 68.02 2wql n THR 29 CO 0.00 0.00 0.00 0.58 -0.57 0.00 0.00 175.07 175.08 2wql h VAL 30 N 0.00 1.44 -0.80 2.28 2.07 -0.94 -3.34 116.25 116.96 2wql h VAL 30 Ca -0.22 -1.69 0.05 0.00 0.82 0.00 0.00 66.70 65.65 2wql h VAL 30 Cb 1.62 2.37 -0.05 0.00 -1.52 0.00 0.00 31.29 33.71 2wql h VAL 30 CO 0.03 0.48 0.50 0.40 0.02 0.00 0.00 177.57 179.00 2wql h ILE 31 N -0.24 1.06 0.00 4.57 2.04 -1.48 0.19 117.51 123.65 2wql h ILE 31 Ca -0.02 -0.32 -0.03 0.00 1.00 0.00 0.00 64.86 65.49 2wql h ILE 31 Cb 0.91 0.05 -0.00 0.00 -0.74 0.00 0.00 36.82 37.04 2wql h ILE 31 CO 0.05 0.17 -0.15 -0.65 0.00 0.00 0.00 178.15 177.58 2wql h PRO 32 N 0.94 0.00 0.06 2.37 0.11 -1.79 0.15 132.00 133.84 2wql h PRO 32 Ca 0.34 0.00 -0.28 0.00 0.11 0.00 0.00 66.00 66.16 2wql h PRO 32 Cb 0.11 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 31.19 2wql h PRO 32 CO -0.15 0.15 -1.50 0.87 -0.21 0.00 0.00 178.00 177.16 2wql h LYS 33 N 0.00 0.12 0.11 1.05 1.57 -1.41 -3.37 116.57 114.65 2wql h LYS 33 Ca -0.00 -0.21 -0.31 0.00 -1.87 0.00 0.00 60.65 58.26 2wql h LYS 33 Cb 0.30 0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.68 2wql h LYS 33 CO 0.02 0.90 -1.65 0.00 -0.57 0.00 0.00 179.45 178.16 2wql h ALA 34 N 0.73 0.28 -2.34 3.86 0.00 -0.34 -3.41 119.26 118.03 2wql h ALA 34 Ca -0.22 -1.22 -0.59 0.00 0.00 0.00 0.00 54.91 52.88 2wql h ALA 34 Cb 1.96 0.59 -0.41 0.00 0.00 0.00 0.00 17.79 19.94 2wql h ALA 34 CO 0.12 1.01 -0.76 0.00 0.00 0.00 0.00 179.25 179.62 2wql n ALA 35 N -3.03 3.39 -0.32 0.00 0.00 0.51 -4.79 120.51 116.29 2wql n ALA 35 Ca -0.28 -4.19 0.05 0.00 0.00 0.00 0.00 53.44 49.01 2wql n ALA 35 Cb 0.95 -0.89 0.20 0.00 0.00 0.00 0.00 19.45 19.71 2wql n ALA 35 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2wql h THR 36 N 3.30 0.90 -0.02 0.00 1.03 -1.72 -2.03 112.91 114.37 2wql h THR 36 Ca 0.17 -0.30 0.00 0.00 -0.01 0.00 0.00 66.41 66.27 2wql h THR 36 Cb 0.76 -0.03 0.00 0.00 -1.07 0.00 0.00 68.15 67.81 2wql h THR 36 CO 0.67 0.16 -0.37 0.61 -0.01 0.00 0.00 175.52 176.58 2wql n GLY 37 N -1.33 0.17 0.22 2.99 0.00 -1.26 -4.64 105.19 101.33 2wql n GLY 37 Ca 0.16 -0.61 -0.00 0.00 0.00 0.00 0.00 46.02 45.56 2wql n GLY 37 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wql h ALA 38 N 3.79 0.60 -2.75 4.61 0.00 -1.73 -3.40 119.26 120.38 2wql h ALA 38 Ca 0.00 0.15 -0.66 0.00 0.00 0.00 0.00 54.91 54.40 2wql h ALA 38 Cb 0.75 0.23 -0.07 0.00 0.00 0.00 0.00 17.79 18.71 2wql h ALA 38 CO 0.00 -0.35 -0.50 0.71 0.00 0.00 0.00 179.25 179.11 2wql s TYR 39 N -6.14 3.54 -0.00 0.00 2.02 -1.26 -4.54 117.35 110.97 2wql s TYR 39 Ca -0.13 0.45 -0.19 0.00 -0.37 0.00 0.00 57.07 56.83 2wql s TYR 39 Cb 0.17 -1.89 -0.32 0.00 -0.40 0.00 0.00 41.96 39.52 2wql s TYR 39 CO 0.73 0.69 0.98 -0.22 -1.57 0.00 0.00 175.55 176.16 2wql h LYS 40 N 4.66 0.44 -2.65 -0.62 3.64 -0.86 -3.47 116.57 117.70 2wql h LYS 40 Ca -0.53 -0.69 0.01 0.00 -1.27 0.00 0.00 60.65 58.17 2wql h LYS 40 Cb 1.21 0.25 -0.14 0.00 -0.41 0.00 0.00 32.23 33.14 2wql h LYS 40 CO 0.61 1.32 0.29 -1.54 -2.27 0.00 0.00 179.45 177.85 2wql s SER 41 N -7.22 -0.52 -0.06 4.20 1.04 -1.01 -5.02 113.70 105.12 2wql s SER 41 Ca -0.11 0.10 -0.02 0.00 0.48 0.00 0.00 55.95 56.39 2wql s SER 41 Cb 0.03 0.53 0.04 0.00 0.10 0.00 0.00 66.02 66.71 2wql s SER 41 CO 0.88 -0.82 0.08 -0.69 0.98 0.00 0.00 173.24 173.67 2wql s VAL 42 N -3.20 -0.13 -0.23 5.02 1.01 -1.26 -1.86 120.40 119.74 2wql s VAL 42 Ca 0.00 0.37 -0.14 0.00 0.00 0.00 0.00 61.98 62.22 2wql s VAL 42 Cb -0.01 -0.21 -0.04 0.00 0.00 0.00 0.00 36.38 36.12 2wql s VAL 42 CO -0.09 0.14 0.30 -1.61 0.00 0.00 0.00 175.10 173.84 2wql s GLU 43 N 2.19 4.10 -0.24 2.72 2.02 -0.43 -4.96 118.70 124.10 2wql s GLU 43 Ca 0.05 -0.02 -0.04 0.00 0.02 0.00 0.00 54.97 54.97 2wql s GLU 43 Cb -0.12 -3.56 -0.01 0.00 0.10 0.00 0.00 34.13 30.54 2wql s GLU 43 CO -0.04 -0.05 -0.02 0.08 0.02 0.00 0.00 175.26 175.26 2wql s VAL 44 N 1.37 3.52 -0.42 2.63 1.01 -1.26 -0.75 120.40 126.49 2wql s VAL 44 Ca 0.14 -0.52 -0.05 0.00 0.00 0.00 0.00 61.98 61.55 2wql s VAL 44 Cb -0.15 -2.65 0.11 0.00 0.00 0.00 0.00 36.38 33.70 2wql s VAL 44 CO 0.07 0.35 0.24 -0.54 0.00 0.00 0.00 175.10 175.22 2wql s LYS 45 N 1.49 2.16 0.00 2.72 1.02 -0.15 -5.01 119.74 121.97 2wql s LYS 45 Ca 0.05 -1.78 0.00 0.00 0.02 0.00 0.00 55.97 54.26 2wql s LYS 45 Cb -0.15 -3.67 0.00 0.00 -0.52 0.00 0.00 37.83 33.49 2wql s LYS 45 CO -0.02 -1.09 0.00 0.41 -0.92 0.00 0.00 175.35 173.73 2wql n GLY 46 N 4.69 1.57 0.63 -3.33 0.00 -1.26 -1.57 105.19 105.92 2wql n GLY 46 Ca -0.04 -2.19 0.13 0.00 0.00 0.00 0.00 46.02 43.92 2wql n GLY 46 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2wql n ASP 47 N 0.00 2.07 0.00 1.61 5.68 -1.26 -4.93 116.55 119.72 2wql n ASP 47 Ca 0.00 -1.60 0.00 0.00 -0.50 0.00 0.00 54.79 52.69 2wql n ASP 47 Cb 0.00 0.10 0.00 0.00 -1.14 0.00 0.00 41.12 40.08 2wql n ASP 47 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2wql n GLY 48 N 1.30 1.78 0.00 6.12 0.00 -1.26 -5.09 105.19 108.04 2wql n GLY 48 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.17 2wql n GLY 48 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wql n GLY 49 N -1.33 -0.14 3.66 -0.02 0.00 -1.26 -4.91 105.19 101.19 2wql n GLY 49 Ca 0.00 -1.81 -0.43 0.00 0.00 0.00 0.00 46.02 43.78 2wql n GLY 49 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wql n ALA 50 N -3.00 0.84 0.00 4.61 0.00 -1.26 -2.08 120.51 119.62 2wql n ALA 50 Ca 0.00 0.38 0.00 0.00 0.00 0.00 0.00 53.44 53.82 2wql n ALA 50 Cb 0.00 -2.19 0.00 0.00 0.00 0.00 0.00 19.45 17.26 2wql n ALA 50 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2wql n GLY 51 N 1.10 1.95 3.76 0.00 0.00 -0.01 -4.99 105.19 107.01 2wql n GLY 51 Ca 0.07 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.68 2wql n GLY 51 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2wql s THR 52 N -2.36 2.57 -0.07 2.61 2.01 -0.88 -4.80 115.64 114.71 2wql s THR 52 Ca 0.00 0.54 0.02 0.00 0.31 0.00 0.00 61.69 62.56 2wql s THR 52 Cb 0.00 -3.35 0.02 0.00 0.01 0.00 0.00 72.50 69.18 2wql s THR 52 CO 0.00 0.12 -0.10 -0.69 -0.69 0.00 0.00 174.62 173.26 2wql s VAL 53 N -0.82 1.02 -0.16 3.82 1.01 -0.61 -0.37 120.40 124.29 2wql s VAL 53 Ca 0.53 -0.39 -0.01 0.00 0.00 0.00 0.00 61.98 62.11 2wql s VAL 53 Cb -0.42 -0.96 -0.01 0.00 0.00 0.00 0.00 36.38 34.99 2wql s VAL 53 CO 0.52 0.34 -0.12 -0.13 0.00 0.00 0.00 175.10 175.71 2wql s ARG 54 N 0.89 3.32 -0.43 2.72 0.52 -0.09 -0.97 118.95 124.91 2wql s ARG 54 Ca -0.10 -0.70 -0.15 0.00 -0.52 0.00 0.00 55.73 54.26 2wql s ARG 54 Cb -0.15 -2.70 0.04 0.00 0.52 0.00 0.00 34.95 32.66 2wql s ARG 54 CO 0.01 0.06 0.33 0.42 0.02 0.00 0.00 175.30 176.14 2wql s ILE 55 N 0.73 5.25 -0.09 1.52 1.01 0.07 -0.86 121.20 128.84 2wql s ILE 55 Ca -0.05 -0.77 -0.02 0.00 0.00 0.00 0.00 60.65 59.80 2wql s ILE 55 Cb -0.15 -3.99 -0.03 0.00 0.01 0.00 0.00 42.46 38.29 2wql s ILE 55 CO 0.01 -0.39 0.01 -0.63 0.00 0.00 0.00 174.94 173.95 2wql s ILE 56 N 1.68 4.40 -0.08 2.92 1.01 0.33 -1.32 121.20 130.14 2wql s ILE 56 Ca 0.05 -0.21 0.01 0.00 0.00 0.00 0.00 60.65 60.49 2wql s ILE 56 Cb -0.21 -2.86 0.02 0.00 0.01 0.00 0.00 42.46 39.43 2wql s ILE 56 CO 0.09 0.61 -0.09 -0.89 0.00 0.00 0.00 174.94 174.66 2wql s THR 57 N -0.89 0.99 0.39 2.92 2.01 -0.78 -1.69 115.64 118.61 2wql s THR 57 Ca 0.13 -0.33 0.04 0.00 0.31 0.00 0.00 61.69 61.84 2wql s THR 57 Cb -0.11 -0.97 -0.00 0.00 0.01 0.00 0.00 72.50 71.42 2wql s THR 57 CO 0.02 0.34 0.57 -0.76 -0.69 0.00 0.00 174.62 174.10 2wql s LEU 58 N 1.19 3.79 0.90 4.42 1.02 0.71 -0.27 118.68 130.44 2wql s LEU 58 Ca -0.05 -0.02 -0.12 0.00 0.02 0.00 0.00 54.13 53.95 2wql s LEU 58 Cb -0.14 -2.90 0.07 0.00 0.02 0.00 0.00 46.19 43.24 2wql s LEU 58 CO -0.02 -0.59 0.76 -2.65 0.02 0.00 0.00 176.35 173.86 2wql n PRO 59 N -1.85 -0.21 -0.22 1.29 -0.02 -1.26 -4.68 135.00 128.05 2wql n PRO 59 Ca 0.01 -0.00 0.02 0.00 -2.02 0.00 0.00 63.50 61.51 2wql n PRO 59 Cb 0.58 -2.10 0.12 0.00 -0.02 0.00 0.00 33.50 32.09 2wql n PRO 59 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 2wql h GLU 60 N -1.43 0.13 0.00 -0.52 5.08 -1.98 -2.24 114.58 113.62 2wql h GLU 60 Ca -0.44 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 57.91 2wql h GLU 60 Cb 1.29 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 30.51 2wql h GLU 60 CO 0.39 0.09 0.00 0.78 -1.00 0.00 0.00 179.01 179.27 2wql h GLY 61 N 0.14 0.00 -2.77 -3.84 0.00 -1.99 -3.49 103.07 91.12 2wql h GLY 61 Ca 0.35 0.00 -0.57 0.00 0.00 0.00 0.00 47.33 47.11 2wql h GLY 61 CO -0.55 0.00 0.16 1.44 0.00 0.00 0.00 176.54 177.59 2wql n SER 62 N -2.52 0.94 -0.38 0.19 7.64 -0.84 -4.90 113.62 113.75 2wql n SER 62 Ca 0.04 0.84 -0.00 0.00 1.01 0.00 0.00 58.87 60.76 2wql n SER 62 Cb 0.42 -1.40 0.13 0.00 -1.01 0.00 0.00 64.21 62.36 2wql n SER 62 CO 0.00 0.00 0.00 -0.65 -3.01 0.00 0.00 175.04 171.38 2wql h PRO 63 N 0.66 1.27 -4.99 1.43 0.11 -1.93 -3.36 132.00 125.20 2wql h PRO 63 Ca -0.48 -0.08 -0.65 0.00 0.11 0.00 0.00 66.00 64.90 2wql h PRO 63 Cb 1.36 -0.29 -0.26 0.00 0.11 0.00 0.00 31.00 31.92 2wql h PRO 63 CO 0.52 0.84 -0.69 0.42 -0.21 0.00 0.00 178.00 178.88 2wql s ILE 64 N -6.09 3.67 -0.17 4.15 1.01 -1.26 -4.97 121.20 117.54 2wql s ILE 64 Ca -0.13 -0.39 0.17 0.00 0.00 0.00 0.00 60.65 60.30 2wql s ILE 64 Cb 0.19 -2.69 -0.25 0.00 0.01 0.00 0.00 42.46 39.72 2wql s ILE 64 CO 0.82 0.40 0.19 0.35 0.00 0.00 0.00 174.94 176.69 2wql n THR 65 N 4.80 1.39 -3.83 2.92 -2.24 -1.26 -4.62 114.28 111.45 2wql n THR 65 Ca -0.18 -0.84 -0.13 0.00 -2.27 0.00 0.00 64.05 60.64 2wql n THR 65 Cb 0.51 -0.55 -0.14 0.00 -2.10 0.00 0.00 70.33 68.06 2wql n THR 65 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 2wql s THR 66 N -2.54 -0.01 -0.08 4.28 -4.23 -1.26 -0.21 115.64 111.59 2wql s THR 66 Ca -0.09 0.04 -0.10 0.00 -1.18 0.00 0.00 61.69 60.36 2wql s THR 66 Cb 0.07 -0.12 0.02 0.00 1.34 0.00 0.00 72.50 73.81 2wql s THR 66 CO 0.83 0.02 0.27 0.00 -0.54 0.00 0.00 174.62 175.20 2wql s MET 67 N 0.25 0.38 -0.19 3.99 0.00 -0.68 -2.21 119.30 120.84 2wql s MET 67 Ca -0.02 0.25 -0.02 0.00 0.00 0.00 0.00 55.69 55.90 2wql s MET 67 Cb -0.03 0.18 -0.01 0.00 0.00 0.00 0.00 34.83 34.97 2wql s MET 67 CO -0.01 -0.06 -0.09 0.99 0.00 0.00 0.00 175.02 175.85 2wql s THR 68 N -0.15 3.12 -0.11 3.16 2.01 -0.26 -0.51 115.64 122.90 2wql s THR 68 Ca -0.03 -0.59 0.02 0.00 0.31 0.00 0.00 61.69 61.40 2wql s THR 68 Cb -0.03 -2.38 0.01 0.00 0.01 0.00 0.00 72.50 70.12 2wql s THR 68 CO 0.01 0.47 -0.17 -0.69 -0.69 0.00 0.00 174.62 173.55 2wql s VAL 69 N 1.11 1.65 -0.18 3.82 1.01 -0.04 -1.10 120.40 126.67 2wql s VAL 69 Ca 0.01 -0.74 -0.08 0.00 0.00 0.00 0.00 61.98 61.17 2wql s VAL 69 Cb -0.15 -1.49 -0.04 0.00 0.00 0.00 0.00 36.38 34.71 2wql s VAL 69 CO -0.02 0.47 0.07 -0.60 0.00 0.00 0.00 175.10 175.02 2wql s ARG 70 N 0.89 3.98 -0.15 2.72 3.52 0.45 -0.91 118.95 129.45 2wql s ARG 70 Ca -0.08 -0.32 -0.29 0.00 -0.13 0.00 0.00 55.73 54.92 2wql s ARG 70 Cb -0.15 -3.23 -0.01 0.00 -1.56 0.00 0.00 34.95 30.00 2wql s ARG 70 CO -0.01 0.30 0.99 0.99 -0.81 0.00 0.00 175.30 176.76 2wql s THR 71 N 0.30 4.77 -0.10 4.11 2.01 0.50 -0.62 115.64 126.61 2wql s THR 71 Ca 0.04 1.97 0.13 0.00 0.31 0.00 0.00 61.69 64.15 2wql s THR 71 Cb -0.12 -4.28 -0.24 0.00 0.01 0.00 0.00 72.50 67.87 2wql s THR 71 CO -0.00 -0.04 0.44 0.47 -0.69 0.00 0.00 174.62 174.79 2wql n ASP 72 N 5.42 0.66 -3.64 3.53 8.00 0.47 -0.83 116.55 130.17 2wql n ASP 72 Ca 0.09 0.26 -0.09 0.00 0.71 0.00 0.00 54.79 55.76 2wql n ASP 72 Cb 0.48 0.24 -0.07 0.00 -0.02 0.00 0.00 41.12 41.75 2wql n ASP 72 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2wql s ALA 73 N -2.56 -1.98 -0.02 2.24 0.00 -0.90 -4.72 121.76 113.81 2wql s ALA 73 Ca -0.08 1.90 0.04 0.00 0.00 0.00 0.00 51.96 53.82 2wql s ALA 73 Cb 0.07 -1.45 -0.00 0.00 0.00 0.00 0.00 23.12 21.74 2wql s ALA 73 CO 0.82 -0.24 -0.13 0.08 0.00 0.00 0.00 175.76 176.29 2wql s VAL 74 N 0.30 1.05 -0.31 0.00 1.01 -1.26 -0.96 120.40 120.22 2wql s VAL 74 Ca 0.02 -0.54 -0.01 0.00 0.00 0.00 0.00 61.98 61.46 2wql s VAL 74 Cb -0.05 -0.90 0.10 0.00 0.00 0.00 0.00 36.38 35.53 2wql s VAL 74 CO -0.07 0.31 0.10 0.21 0.00 0.00 0.00 175.10 175.65 2wql s ASN 75 N -0.09 4.00 0.37 3.32 3.84 -0.48 -4.97 114.94 120.93 2wql s ASN 75 Ca 0.01 -1.66 0.10 0.00 0.21 0.00 0.00 52.86 51.51 2wql s ASN 75 Cb -0.08 -0.85 0.73 0.00 -0.55 0.00 0.00 41.25 40.50 2wql s ASN 75 CO 0.00 -0.41 1.87 0.11 -2.79 0.00 0.00 177.10 175.88 2wql h LYS 76 N 8.05 0.19 -0.09 0.43 1.57 -1.98 -0.53 116.57 124.21 2wql h LYS 76 Ca -0.13 -0.05 -0.23 0.00 -1.87 0.00 0.00 60.65 58.37 2wql h LYS 76 Cb 1.01 -0.02 0.01 0.00 0.08 0.00 0.00 32.23 33.31 2wql h LYS 76 CO 0.47 0.41 -0.84 1.49 -0.57 0.00 0.00 179.45 180.40 2wql h GLU 77 N 0.18 0.67 -0.01 3.15 4.81 -1.96 -3.30 114.58 118.11 2wql h GLU 77 Ca 0.03 -0.59 0.00 0.00 -0.13 0.00 0.00 59.36 58.67 2wql h GLU 77 Cb 0.49 0.14 0.00 0.00 0.63 0.00 0.00 28.75 30.01 2wql h GLU 77 CO 0.03 1.20 -0.25 0.00 -0.73 0.00 0.00 179.01 179.27 2wql n ALA 78 N -2.59 3.07 -3.72 2.92 0.00 -1.08 -4.97 120.51 114.14 2wql n ALA 78 Ca -0.08 -0.49 -0.24 0.00 0.00 0.00 0.00 53.44 52.63 2wql n ALA 78 Cb 0.78 -1.03 0.05 0.00 0.00 0.00 0.00 19.45 19.24 2wql n ALA 78 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2wql n LEU 79 N -0.22 -3.09 -4.39 0.00 4.77 -0.23 -4.68 117.00 109.15 2wql n LEU 79 Ca 0.13 -0.73 -0.29 0.00 -0.03 0.00 0.00 56.01 55.09 2wql n LEU 79 Cb 0.40 -2.76 -0.13 0.00 -2.33 0.00 0.00 43.42 38.60 2wql n LEU 79 CO 0.24 0.47 -0.57 -0.94 -1.33 0.00 0.00 177.39 175.27 2wql s SER 80 N -3.79 3.32 -0.09 -1.43 1.04 -1.06 -1.33 113.70 110.37 2wql s SER 80 Ca 0.35 -0.74 -0.04 0.00 0.48 0.00 0.00 55.95 56.00 2wql s SER 80 Cb -0.17 -0.23 0.04 0.00 0.10 0.00 0.00 66.02 65.77 2wql s SER 80 CO 0.79 0.18 0.19 -0.47 0.98 0.00 0.00 173.24 174.91 2wql s TYR 81 N -1.05 -0.24 -0.08 5.02 5.04 -0.02 -1.38 117.35 124.64 2wql s TYR 81 Ca 0.14 0.63 0.05 0.00 -2.44 0.00 0.00 57.07 55.45 2wql s TYR 81 Cb -0.10 -0.06 -0.00 0.00 0.35 0.00 0.00 41.96 42.15 2wql s TYR 81 CO 0.06 -0.22 -0.24 -0.51 -1.34 0.00 0.00 175.55 173.31 2wql s ASP 82 N 1.43 2.99 0.07 4.32 1.01 -0.14 -0.30 116.67 126.06 2wql s ASP 82 Ca -0.07 -0.52 -0.15 0.00 0.71 0.00 0.00 52.55 52.52 2wql s ASP 82 Cb -0.11 -1.12 0.02 0.00 1.01 0.00 0.00 42.92 42.72 2wql s ASP 82 CO -0.07 0.19 0.34 -0.94 0.21 0.00 0.00 175.17 174.90 2wql s SER 83 N 0.13 -0.16 -0.05 0.27 1.04 -0.63 -0.40 113.70 113.91 2wql s SER 83 Ca -0.12 -0.26 0.03 0.00 0.48 0.00 0.00 55.95 56.08 2wql s SER 83 Cb -0.16 0.40 0.01 0.00 0.10 0.00 0.00 66.02 66.37 2wql s SER 83 CO 0.06 -0.72 -0.12 -0.89 0.98 0.00 0.00 173.24 172.56 2wql s THR 84 N -3.11 1.04 -0.24 2.02 2.01 0.21 -0.34 115.64 117.23 2wql s THR 84 Ca -0.01 -0.46 -0.25 0.00 0.31 0.00 0.00 61.69 61.28 2wql s THR 84 Cb 0.01 -0.94 -0.00 0.00 0.01 0.00 0.00 72.50 71.58 2wql s THR 84 CO -0.07 0.32 0.86 -0.69 -0.69 0.00 0.00 174.62 174.35 2wql s VAL 85 N 0.44 4.82 -0.08 3.82 1.01 -0.35 -0.41 120.40 129.66 2wql s VAL 85 Ca -0.09 1.63 0.01 0.00 0.00 0.00 0.00 61.98 63.53 2wql s VAL 85 Cb -0.13 -4.14 -0.01 0.00 0.00 0.00 0.00 36.38 32.10 2wql s VAL 85 CO 0.02 -0.08 0.15 2.30 0.00 0.00 0.00 175.10 177.49 2wql n ILE 86 N 5.23 0.00 -3.57 2.22 -5.35 -0.26 -1.80 119.36 115.83 2wql n ILE 86 Ca 0.06 -0.48 -0.10 0.00 -0.27 0.00 0.00 62.75 61.96 2wql n ILE 86 Cb 0.47 1.01 -0.02 0.00 -1.74 0.00 0.00 39.64 39.36 2wql n ILE 86 CO 0.00 0.00 0.00 -0.62 -1.76 0.00 0.00 176.55 174.17 2wql s ASP 87 N -0.91 -0.46 0.00 7.28 2.15 -1.23 -4.94 116.67 118.56 2wql s ASP 87 Ca 0.01 -0.20 0.00 0.00 0.43 0.00 0.00 52.55 52.79 2wql s ASP 87 Cb 0.01 0.63 0.00 0.00 -0.30 0.00 0.00 42.92 43.26 2wql s ASP 87 CO 0.04 -1.08 0.00 0.61 -0.17 0.00 0.00 175.17 174.57 2wql n GLY 88 N -0.40 2.76 0.00 2.66 0.00 -1.26 -1.10 105.19 107.84 2wql n GLY 88 Ca -0.12 -2.08 0.07 0.00 0.00 0.00 0.00 46.02 43.89 2wql n GLY 88 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2wql n ASP 89 N 0.00 0.00 0.14 1.61 5.68 -0.94 -1.88 116.55 121.16 2wql n ASP 89 Ca 0.00 0.50 0.16 0.00 -0.50 0.00 0.00 54.79 54.95 2wql n ASP 89 Cb 0.00 -0.50 0.72 0.00 -1.14 0.00 0.00 41.12 40.20 2wql n ASP 89 CO 0.00 0.00 0.00 -0.29 -1.33 0.00 0.00 177.20 175.58 2wql h ILE 90 N 0.00 0.73 0.00 2.12 2.10 -1.85 -1.02 117.51 119.58 2wql h ILE 90 Ca 0.00 0.00 0.00 0.00 1.08 0.00 0.00 64.86 65.94 2wql h ILE 90 Cb 0.27 0.85 0.00 0.00 -1.09 0.00 0.00 36.82 36.84 2wql h ILE 90 CO 0.00 0.00 0.00 0.18 -1.08 0.00 0.00 178.15 177.25 2wql n LEU 91 N -4.24 0.00 0.00 2.19 4.77 -0.79 -5.00 117.00 113.93 2wql n LEU 91 Ca 0.03 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.01 2wql n LEU 91 Cb 0.37 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.46 2wql n LEU 91 CO 0.33 0.00 0.00 0.18 -1.33 0.00 0.00 177.39 176.57 2wql n LEU 92 N -0.99 0.00 0.02 2.23 4.77 -0.39 -1.64 117.00 121.00 2wql n LEU 92 Ca 0.20 0.00 0.12 0.00 -0.03 0.00 0.00 56.01 56.31 2wql n LEU 92 Cb 0.09 0.00 0.31 0.00 -2.33 0.00 0.00 43.42 41.49 2wql n LEU 92 CO 0.15 0.00 0.55 0.61 -1.33 0.00 0.00 177.39 177.37 2wql n GLY 93 N 0.00 -1.36 0.00 -0.72 0.00 -1.26 -4.68 105.19 97.17 2wql n GLY 93 Ca 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 46.02 45.76 2wql n GLY 93 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 173.32 175.29 2wql n PHE 94 N -1.67 0.00 -2.76 1.61 1.16 -1.09 -5.04 117.46 109.68 2wql n PHE 94 Ca 0.05 0.00 -0.42 0.00 -1.87 0.00 0.00 57.45 55.21 2wql n PHE 94 Cb 0.36 0.01 -0.03 0.00 -1.61 0.00 0.00 39.48 38.21 2wql n PHE 94 CO 0.00 0.00 0.00 0.42 -1.87 0.00 0.00 176.76 175.31 2wql s ILE 95 N 0.00 4.77 0.00 1.97 1.01 -0.65 -3.07 121.20 125.24 2wql s ILE 95 Ca 0.00 1.86 -0.22 0.00 0.00 0.00 0.00 60.65 62.29 2wql s ILE 95 Cb 0.00 -4.24 -0.18 0.00 0.01 0.00 0.00 42.46 38.05 2wql s ILE 95 CO 0.00 -0.07 1.24 -0.33 0.00 0.00 0.00 174.94 175.77 2wql h GLU 96 N 7.38 0.24 -2.31 2.79 5.08 -0.55 -3.46 114.58 123.76 2wql h GLU 96 Ca -0.25 -0.16 -0.03 0.00 -1.00 0.00 0.00 59.36 57.92 2wql h GLU 96 Cb 1.10 0.02 -0.17 0.00 0.50 0.00 0.00 28.75 30.20 2wql h GLU 96 CO 0.90 0.75 0.23 -1.54 -1.00 0.00 0.00 179.01 178.35 2wql s SER 97 N -6.12 -0.60 -0.39 1.42 1.04 -1.09 -4.82 113.70 103.14 2wql s SER 97 Ca -0.15 0.44 -0.04 0.00 0.48 0.00 0.00 55.95 56.68 2wql s SER 97 Cb 0.03 0.54 0.09 0.00 0.10 0.00 0.00 66.02 66.78 2wql s SER 97 CO 0.74 -0.71 0.18 -0.63 0.98 0.00 0.00 173.24 173.79 2wql s ILE 98 N -2.08 3.45 -0.13 -1.02 1.01 -0.75 -1.37 121.20 120.32 2wql s ILE 98 Ca -0.06 -1.77 -0.24 0.00 0.00 0.00 0.00 60.65 58.58 2wql s ILE 98 Cb -0.00 -3.23 -0.03 0.00 0.01 0.00 0.00 42.46 39.21 2wql s ILE 98 CO 0.01 -0.53 0.76 -0.70 0.00 0.00 0.00 174.94 174.48 2wql s GLU 99 N 1.23 4.35 0.07 2.79 2.12 -0.14 -1.21 118.70 127.91 2wql s GLU 99 Ca 0.04 0.93 0.07 0.00 0.36 0.00 0.00 54.97 56.37 2wql s GLU 99 Cb -0.22 -3.52 -0.03 0.00 0.26 0.00 0.00 34.13 30.62 2wql s GLU 99 CO -0.02 -0.15 -0.18 0.95 -0.54 0.00 0.00 175.26 175.31 2wql s THR 100 N 1.55 1.48 -0.06 -1.70 -4.23 0.54 0.21 115.64 113.43 2wql s THR 100 Ca 0.37 -1.28 -0.01 0.00 -1.18 0.00 0.00 61.69 59.59 2wql s THR 100 Cb -0.17 -1.33 0.03 0.00 1.34 0.00 0.00 72.50 72.36 2wql s THR 100 CO 0.15 0.02 0.01 -1.00 -0.54 0.00 0.00 174.62 173.26 2wql s HIS 101 N -0.99 0.50 0.01 3.99 3.76 -0.13 -1.61 115.29 120.82 2wql s HIS 101 Ca 0.04 -0.06 0.08 0.00 -0.15 0.00 0.00 55.06 54.97 2wql s HIS 101 Cb -0.09 -0.67 -0.02 0.00 1.11 0.00 0.00 32.58 32.90 2wql s HIS 101 CO 0.03 -0.26 -0.24 1.41 -0.85 0.00 0.00 174.74 174.82 2wql s MET 102 N 1.81 1.79 0.01 1.40 1.75 0.59 -0.91 119.30 125.73 2wql s MET 102 Ca 0.02 -0.92 0.01 0.00 -1.25 0.00 0.00 55.69 53.55 2wql s MET 102 Cb -0.12 -1.81 -0.01 0.00 2.84 0.00 0.00 34.83 35.72 2wql s MET 102 CO -0.04 0.49 -0.05 0.54 -0.65 0.00 0.00 175.02 175.31 2wql s VAL 103 N -0.65 0.35 -0.28 10.11 0.11 -0.39 -0.84 120.40 128.80 2wql s VAL 103 Ca 0.09 -0.42 -0.05 0.00 -2.93 0.00 0.00 61.98 58.67 2wql s VAL 103 Cb -0.09 -0.34 0.02 0.00 -1.53 0.00 0.00 36.38 34.43 2wql s VAL 103 CO 0.00 -0.06 0.04 -0.69 -3.33 0.00 0.00 175.10 171.07 2wql s VAL 104 N -0.47 3.62 -0.07 2.04 1.01 -0.44 -1.22 120.40 124.86 2wql s VAL 104 Ca -0.02 -0.83 -0.00 0.00 0.00 0.00 0.00 61.98 61.13 2wql s VAL 104 Cb -0.04 -2.87 -0.03 0.00 0.00 0.00 0.00 36.38 33.44 2wql s VAL 104 CO -0.00 0.09 -0.05 0.68 0.00 0.00 0.00 175.10 175.83 2wql s VAL 105 N 1.44 3.90 0.65 2.92 -7.23 0.00 -4.81 120.40 117.28 2wql s VAL 105 Ca 0.01 -0.41 -0.13 0.00 -1.81 0.00 0.00 61.98 59.65 2wql s VAL 105 Cb -0.17 -2.61 -0.01 0.00 0.56 0.00 0.00 36.38 34.15 2wql s VAL 105 CO 0.00 0.60 1.06 -2.16 -0.31 0.00 0.00 175.10 174.30 2wql s PRO 106 N -0.84 3.07 0.16 4.82 0.04 -1.26 -0.90 135.00 140.08 2wql s PRO 106 Ca 0.13 1.10 0.10 0.00 0.04 0.00 0.00 61.00 62.37 2wql s PRO 106 Cb -0.11 -2.00 -0.04 0.00 0.04 0.00 0.00 34.50 32.39 2wql s PRO 106 CO 0.02 -1.00 -0.24 0.99 0.04 0.00 0.00 177.00 176.81 2wql s THR 107 N -2.73 2.14 0.44 1.26 2.01 -0.64 -4.81 115.64 113.31 2wql s THR 107 Ca 0.61 -1.86 0.23 0.00 0.31 0.00 0.00 61.69 60.98 2wql s THR 107 Cb -0.15 -1.96 0.43 0.00 0.01 0.00 0.00 72.50 70.83 2wql s THR 107 CO 0.46 -0.08 1.81 0.00 -0.69 0.00 0.00 174.62 176.12 2wql h ALA 108 N 3.54 2.44 0.00 7.40 0.00 -1.98 -0.63 119.26 130.04 2wql h ALA 108 Ca -0.47 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.46 2wql h ALA 108 Cb 1.19 0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.01 2wql h ALA 108 CO 0.44 -0.79 0.00 -0.40 0.00 0.00 0.00 179.25 178.50 2wql n ASP 109 N -4.48 0.00 0.00 0.00 5.68 -1.26 -4.84 116.55 111.64 2wql n ASP 109 Ca 0.23 -1.15 0.00 0.00 -0.50 0.00 0.00 54.79 53.37 2wql n ASP 109 Cb 0.91 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.89 2wql n ASP 109 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2wql n GLY 110 N 0.73 0.73 0.00 6.12 0.00 -0.24 -5.05 105.19 107.48 2wql n GLY 110 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.18 2wql n GLY 110 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wql n GLY 111 N -2.00 1.46 3.37 -0.02 0.00 -1.25 -3.67 105.19 103.09 2wql n GLY 111 Ca 0.00 -1.82 -0.11 0.00 0.00 0.00 0.00 46.02 44.09 2wql n GLY 111 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2wql s SER 112 N -1.00 -0.40 -0.12 1.61 1.04 -0.22 -1.62 113.70 112.98 2wql s SER 112 Ca 0.00 -0.13 0.03 0.00 0.48 0.00 0.00 55.95 56.32 2wql s SER 112 Cb 0.00 0.53 0.01 0.00 0.10 0.00 0.00 66.02 66.66 2wql s SER 112 CO 0.00 -0.90 -0.20 -0.63 0.98 0.00 0.00 173.24 172.49 2wql s ILE 113 N -3.68 1.88 -0.39 -1.02 1.01 -0.08 -1.27 121.20 117.66 2wql s ILE 113 Ca 0.01 -0.88 -0.13 0.00 0.00 0.00 0.00 60.65 59.65 2wql s ILE 113 Cb 0.00 -1.67 0.02 0.00 0.01 0.00 0.00 42.46 40.83 2wql s ILE 113 CO -0.12 0.52 0.24 -0.89 0.00 0.00 0.00 174.94 174.69 2wql s THR 114 N 0.75 4.86 -0.16 2.92 2.01 0.07 -0.82 115.64 125.27 2wql s THR 114 Ca -0.10 -0.77 -0.08 0.00 0.31 0.00 0.00 61.69 61.05 2wql s THR 114 Cb -0.16 -3.71 -0.04 0.00 0.01 0.00 0.00 72.50 68.60 2wql s THR 114 CO 0.01 -0.26 0.12 -0.75 -0.69 0.00 0.00 174.62 173.04 2wql s LYS 115 N 1.61 3.76 -0.06 4.92 2.20 -0.36 -1.36 119.74 130.46 2wql s LYS 115 Ca 0.03 -0.21 0.02 0.00 -0.36 0.00 0.00 55.97 55.45 2wql s LYS 115 Cb -0.19 -3.25 0.01 0.00 -1.51 0.00 0.00 37.83 32.89 2wql s LYS 115 CO 0.08 0.53 -0.12 0.99 -0.36 0.00 0.00 175.35 176.46 2wql s THR 116 N -0.31 1.10 -0.16 3.43 2.01 0.00 -1.27 115.64 120.45 2wql s THR 116 Ca 0.11 -0.48 -0.03 0.00 0.31 0.00 0.00 61.69 61.60 2wql s THR 116 Cb -0.12 -1.00 -0.02 0.00 0.01 0.00 0.00 72.50 71.37 2wql s THR 116 CO 0.01 0.34 -0.06 -0.89 -0.69 0.00 0.00 174.62 173.33 2wql s THR 117 N 0.56 3.56 -0.09 -0.82 2.01 -0.09 -0.76 115.64 120.01 2wql s THR 117 Ca -0.12 -0.47 0.02 0.00 0.31 0.00 0.00 61.69 61.43 2wql s THR 117 Cb -0.15 -2.56 -0.02 0.00 0.01 0.00 0.00 72.50 69.79 2wql s THR 117 CO 0.03 0.49 -0.13 0.00 -0.69 0.00 0.00 174.62 174.32 2wql s ALA 118 N 0.58 2.67 -0.16 7.40 0.00 0.53 -0.95 121.76 131.83 2wql s ALA 118 Ca -0.04 -0.93 0.01 0.00 0.00 0.00 0.00 51.96 50.99 2wql s ALA 118 Cb -0.15 -1.10 0.02 0.00 0.00 0.00 0.00 23.12 21.90 2wql s ALA 118 CO 0.03 0.42 -0.15 0.42 0.00 0.00 0.00 175.76 176.48 2wql s ILE 119 N -0.26 1.69 -0.39 0.00 1.01 0.13 -0.96 121.20 122.42 2wql s ILE 119 Ca 0.02 -0.72 -0.16 0.00 0.00 0.00 0.00 60.65 59.79 2wql s ILE 119 Cb -0.13 -1.57 0.01 0.00 0.01 0.00 0.00 42.46 40.78 2wql s ILE 119 CO 0.03 0.47 0.40 -0.36 0.00 0.00 0.00 174.94 175.47 2wql s PHE 120 N 1.44 3.19 -0.34 3.97 0.40 0.01 -0.97 117.98 125.68 2wql s PHE 120 Ca 0.05 -0.24 -0.18 0.00 -0.60 0.00 0.00 56.93 55.95 2wql s PHE 120 Cb -0.13 -2.79 -0.00 0.00 0.51 0.00 0.00 43.02 40.61 2wql s PHE 120 CO -0.11 -0.58 0.53 -1.01 0.70 0.00 0.00 175.22 174.74 2wql s HIS 121 N 2.06 3.18 0.23 0.36 3.76 -0.47 -4.00 115.29 120.42 2wql s HIS 121 Ca 0.12 0.23 0.10 0.00 -0.15 0.00 0.00 55.06 55.36 2wql s HIS 121 Cb -0.17 -2.93 -0.05 0.00 1.11 0.00 0.00 32.58 30.54 2wql s HIS 121 CO 0.13 -0.53 -0.19 0.95 -0.85 0.00 0.00 174.74 174.25 2wql s THR 122 N 2.42 2.19 -0.03 1.30 -4.23 -1.26 0.22 115.64 116.25 2wql s THR 122 Ca 0.19 -2.23 -0.30 0.00 -1.18 0.00 0.00 61.69 58.17 2wql s THR 122 Cb -0.15 -2.14 -0.04 0.00 1.34 0.00 0.00 72.50 71.50 2wql s THR 122 CO 0.13 -0.39 1.24 -0.54 -0.54 0.00 0.00 174.62 174.52 2wql s LYS 123 N -3.30 4.35 5.01 3.99 1.02 -1.17 -4.84 119.74 124.80 2wql s LYS 123 Ca 0.25 1.74 0.00 0.00 0.02 0.00 0.00 55.97 57.98 2wql s LYS 123 Cb -0.05 -3.54 0.00 0.00 -0.52 0.00 0.00 37.83 33.73 2wql s LYS 123 CO 0.11 -0.45 0.00 0.41 -0.92 0.00 0.00 175.35 174.50 2wql n GLY 124 N 3.40 1.85 1.25 -3.33 0.00 -1.26 -3.11 105.19 103.98 2wql n GLY 124 Ca 0.11 -0.58 0.05 0.00 0.00 0.00 0.00 46.02 45.60 2wql n GLY 124 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2wql n ASP 125 N 1.04 3.59 -4.73 1.61 8.00 -1.26 -4.98 116.55 119.82 2wql n ASP 125 Ca 0.00 -2.45 -0.42 0.00 0.71 0.00 0.00 54.79 52.63 2wql n ASP 125 Cb 0.00 -0.55 -0.03 0.00 -0.02 0.00 0.00 41.12 40.52 2wql n ASP 125 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2wql s ALA 126 N -1.94 3.71 -0.11 2.24 0.00 -1.18 -4.99 121.76 119.49 2wql s ALA 126 Ca 0.33 1.33 -0.03 0.00 0.00 0.00 0.00 51.96 53.58 2wql s ALA 126 Cb 0.23 -3.59 -0.03 0.00 0.00 0.00 0.00 23.12 19.73 2wql s ALA 126 CO 0.12 -0.75 0.00 0.08 0.00 0.00 0.00 175.76 175.21 2wql s VAL 127 N 0.76 4.31 -0.22 0.00 1.01 -1.26 -4.79 120.40 120.21 2wql s VAL 127 Ca 0.66 -0.24 -0.29 0.00 0.00 0.00 0.00 61.98 62.11 2wql s VAL 127 Cb -0.42 -2.84 0.01 0.00 0.00 0.00 0.00 36.38 33.12 2wql s VAL 127 CO 0.35 0.57 1.04 -0.69 0.00 0.00 0.00 175.10 176.37 2wql s VAL 128 N -0.49 4.69 0.59 2.92 1.01 -1.26 -5.01 120.40 122.84 2wql s VAL 128 Ca 0.09 2.03 -0.19 0.00 0.00 0.00 0.00 61.98 63.91 2wql s VAL 128 Cb -0.12 -4.31 -0.04 0.00 0.00 0.00 0.00 36.38 31.92 2wql s VAL 128 CO 0.02 -0.16 1.21 -2.84 0.00 0.00 0.00 175.10 173.33 2wql s PRO 129 N 3.08 2.97 0.36 2.72 0.02 -1.26 -4.91 135.00 137.98 2wql s PRO 129 Ca 0.45 1.84 0.06 0.00 0.02 0.00 0.00 61.00 63.37 2wql s PRO 129 Cb -0.15 -1.94 0.75 0.00 0.02 0.00 0.00 34.50 33.18 2wql s PRO 129 CO 0.07 -1.21 1.94 1.49 -0.33 0.00 0.00 177.00 178.97 2wql h GLU 130 N 0.90 0.73 -0.86 5.54 4.57 -2.00 -2.31 114.58 121.16 2wql h GLU 130 Ca -0.50 -0.04 0.00 0.00 -1.18 0.00 0.00 59.36 57.64 2wql h GLU 130 Cb 1.30 -0.17 -0.04 0.00 -0.16 0.00 0.00 28.75 29.68 2wql h GLU 130 CO 0.55 0.48 0.55 1.05 -1.18 0.00 0.00 179.01 180.47 2wql h GLU 131 N 0.75 1.14 -0.14 1.92 4.11 -1.99 -0.75 114.58 119.63 2wql h GLU 131 Ca 0.34 -0.08 -0.14 0.00 0.07 0.00 0.00 59.36 59.55 2wql h GLU 131 Cb 0.33 -0.25 -0.01 0.00 0.50 0.00 0.00 28.75 29.32 2wql h GLU 131 CO -0.12 0.77 -0.51 -0.91 0.07 0.00 0.00 179.01 178.31 2wql h ASN 132 N 1.17 0.40 -0.22 3.06 4.21 -1.79 -1.59 115.58 120.82 2wql h ASN 132 Ca 0.31 -0.20 -0.15 0.00 1.21 0.00 0.00 56.30 57.47 2wql h ASN 132 Cb -0.11 -0.11 0.00 0.00 -1.12 0.00 0.00 38.32 36.98 2wql h ASN 132 CO -0.07 0.84 -0.46 0.40 -1.29 0.00 0.00 177.43 176.86 2wql h ILE 133 N 0.29 1.31 -0.92 2.81 2.04 -1.34 -2.37 117.51 119.33 2wql h ILE 133 Ca 0.01 -1.67 -0.01 0.00 1.00 0.00 0.00 64.86 64.19 2wql h ILE 133 Cb 0.99 1.80 -0.04 0.00 -0.74 0.00 0.00 36.82 38.83 2wql h ILE 133 CO 0.09 0.53 0.54 0.11 0.00 0.00 0.00 178.15 179.41 2wql h LYS 134 N 0.42 1.26 0.01 2.37 1.57 -1.06 -1.62 116.57 119.51 2wql h LYS 134 Ca 0.01 -0.13 0.01 0.00 -1.87 0.00 0.00 60.65 58.67 2wql h LYS 134 Cb 1.06 -0.26 -0.02 0.00 0.08 0.00 0.00 32.23 33.10 2wql h LYS 134 CO 0.10 0.90 -0.08 0.35 -0.57 0.00 0.00 179.45 180.14 2wql h PHE 135 N 1.28 -0.21 -0.57 -1.35 3.57 -1.22 -1.16 116.94 117.28 2wql h PHE 135 Ca 0.33 0.01 0.06 0.00 3.53 0.00 0.00 57.97 61.90 2wql h PHE 135 Cb -0.03 0.09 -0.06 0.00 2.79 0.00 0.00 35.95 38.75 2wql h PHE 135 CO 0.01 -0.13 0.27 0.00 -2.23 0.00 0.00 178.31 176.23 2wql h ALA 136 N 0.83 0.74 -0.69 2.41 0.00 -1.21 -1.43 119.26 119.91 2wql h ALA 136 Ca 0.03 0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.99 2wql h ALA 136 Cb 0.19 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 17.90 2wql h ALA 136 CO -0.08 -0.10 0.44 -0.44 0.00 0.00 0.00 179.25 179.07 2wql h ASP 137 N 0.51 0.80 -0.33 0.00 3.32 -0.95 0.20 116.42 119.96 2wql h ASP 137 Ca 0.27 -0.03 -0.01 0.00 0.02 0.00 0.00 57.03 57.27 2wql h ASP 137 Cb 0.22 -0.20 -0.02 0.00 0.22 0.00 0.00 39.33 39.56 2wql h ASP 137 CO -0.21 0.59 0.16 0.00 -1.72 0.00 0.00 179.24 178.06 2wql h ALA 138 N 1.24 0.43 -0.16 3.45 0.00 -0.78 -1.18 119.26 122.26 2wql h ALA 138 Ca 0.25 -0.10 -0.20 0.00 0.00 0.00 0.00 54.91 54.86 2wql h ALA 138 Cb -0.08 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.58 2wql h ALA 138 CO -0.05 -0.00 -0.69 0.37 0.00 0.00 0.00 179.25 178.87 2wql h GLN 139 N 0.40 0.67 -0.41 0.00 4.15 -0.89 0.14 115.11 119.17 2wql h GLN 139 Ca 0.11 -0.50 -0.09 0.00 0.77 0.00 0.00 58.65 58.94 2wql h GLN 139 Cb 0.12 0.09 -0.02 0.00 0.21 0.00 0.00 27.48 27.89 2wql h GLN 139 CO -0.01 1.12 -0.12 -0.91 -1.93 0.00 0.00 178.83 176.97 2wql h ASN 140 N 0.48 0.72 -0.37 -0.69 2.35 -0.97 -1.85 115.58 115.25 2wql h ASN 140 Ca -0.03 -0.22 -0.14 0.00 -0.55 0.00 0.00 56.30 55.37 2wql h ASN 140 Cb 1.29 -0.19 -0.01 0.00 0.05 0.00 0.00 38.32 39.46 2wql h ASN 140 CO 0.14 0.87 -0.30 0.74 -1.65 0.00 0.00 177.43 177.22 2wql h THR 141 N 0.66 1.28 -0.33 2.81 2.02 -0.99 -0.76 112.91 117.60 2wql h THR 141 Ca 0.11 -1.47 0.05 0.00 0.77 0.00 0.00 66.41 65.88 2wql h THR 141 Cb 0.59 1.40 -0.05 0.00 -1.74 0.00 0.00 68.15 68.36 2wql h THR 141 CO 0.04 0.49 0.04 0.00 0.37 0.00 0.00 175.52 176.46 2wql h ALA 142 N 0.77 0.33 -0.38 6.16 0.00 -0.81 -0.41 119.26 124.92 2wql h ALA 142 Ca 0.07 0.08 -0.08 0.00 0.00 0.00 0.00 54.91 54.97 2wql h ALA 142 Cb 0.88 0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.77 2wql h ALA 142 CO 0.08 -0.36 -0.07 1.25 0.00 0.00 0.00 179.25 180.15 2wql h LEU 143 N 0.15 0.72 -0.34 0.00 5.85 -1.29 -1.93 115.31 118.47 2wql h LEU 143 Ca 0.16 -0.35 0.07 0.00 0.84 0.00 0.00 57.88 58.60 2wql h LEU 143 Cb 0.19 -0.20 -0.07 0.00 0.37 0.00 0.00 40.66 40.96 2wql h LEU 143 CO -0.23 0.90 -0.10 0.15 -0.34 0.00 0.00 178.44 178.82 2wql h PHE 144 N 0.53 -0.22 0.00 1.25 3.57 -0.87 -1.95 116.94 119.26 2wql h PHE 144 Ca 0.10 0.03 -0.12 0.00 3.53 0.00 0.00 57.97 61.51 2wql h PHE 144 Cb 0.57 0.15 -0.02 0.00 2.79 0.00 0.00 35.95 39.45 2wql h PHE 144 CO 0.05 -0.17 -0.58 0.87 -2.23 0.00 0.00 178.31 176.25 2wql h LYS 145 N -0.02 0.00 -0.64 1.11 1.79 -0.93 0.10 116.57 117.98 2wql h LYS 145 Ca 0.17 0.00 -0.03 0.00 -2.18 0.00 0.00 60.65 58.60 2wql h LYS 145 Cb 0.28 0.00 -0.03 0.00 -1.58 0.00 0.00 32.23 30.90 2wql h LYS 145 CO -0.37 0.58 0.27 0.00 -1.08 0.00 0.00 179.45 178.85 2wql h ALA 146 N 1.42 0.83 -0.38 3.86 0.00 -1.05 -1.46 119.26 122.48 2wql h ALA 146 Ca -0.01 -0.17 -0.11 0.00 0.00 0.00 0.00 54.91 54.63 2wql h ALA 146 Cb 1.06 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.59 2wql h ALA 146 CO 0.08 0.44 -0.18 0.82 0.00 0.00 0.00 179.25 180.41 2wql h ILE 147 N 0.89 1.28 -0.64 0.00 2.04 -0.67 -2.45 117.51 117.97 2wql h ILE 147 Ca 0.21 -1.30 0.11 0.00 1.00 0.00 0.00 64.86 64.88 2wql h ILE 147 Cb 0.19 1.30 -0.08 0.00 -0.74 0.00 0.00 36.82 37.49 2wql h ILE 147 CO -0.02 0.43 0.22 -0.08 0.00 0.00 0.00 178.15 178.70 2wql h GLU 148 N 0.60 0.37 -0.68 2.37 4.81 -0.68 -0.77 114.58 120.60 2wql h GLU 148 Ca 0.09 -0.02 0.02 0.00 -0.13 0.00 0.00 59.36 59.32 2wql h GLU 148 Cb 0.73 -0.08 -0.04 0.00 0.63 0.00 0.00 28.75 29.98 2wql h GLU 148 CO 0.05 0.25 0.44 0.00 -0.73 0.00 0.00 179.01 179.02 2wql h ALA 149 N 1.46 0.88 -0.63 2.92 0.00 -1.05 -1.21 119.26 121.63 2wql h ALA 149 Ca 0.33 -0.03 -0.05 0.00 0.00 0.00 0.00 54.91 55.15 2wql h ALA 149 Cb 0.45 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 17.97 2wql h ALA 149 CO -0.35 0.23 0.18 -0.92 0.00 0.00 0.00 179.25 178.40 2wql h TYR 150 N 0.87 1.03 -0.68 0.00 3.20 -0.89 -2.75 116.97 117.75 2wql h TYR 150 Ca 0.27 -0.11 -0.07 0.00 3.14 0.00 0.00 58.73 61.96 2wql h TYR 150 Cb -0.03 -0.30 -0.03 0.00 1.54 0.00 0.00 36.73 37.92 2wql h TYR 150 CO -0.04 0.85 0.16 -0.07 -1.64 0.00 0.00 178.16 177.42 2wql h LEU 151 N 0.91 1.03 -1.39 2.82 3.38 -0.74 -1.12 115.31 120.20 2wql h LEU 151 Ca 0.20 -0.22 -0.06 0.00 0.09 0.00 0.00 57.88 57.90 2wql h LEU 151 Cb 0.32 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.79 2wql h LEU 151 CO -0.00 0.99 -0.20 0.40 0.09 0.00 0.00 178.44 179.72 2wql h ILE 152 N 1.03 1.19 0.00 1.22 2.04 -1.10 -3.08 117.51 118.81 2wql h ILE 152 Ca 0.21 -0.88 0.00 0.00 1.00 0.00 0.00 64.86 65.19 2wql h ILE 152 Cb 0.37 1.35 0.00 0.00 -0.74 0.00 0.00 36.82 37.79 2wql h ILE 152 CO 0.00 0.27 -1.01 0.00 0.00 0.00 0.00 178.15 177.41 2wql n ALA 153 N -2.49 2.95 -0.55 1.87 0.00 -1.05 -5.11 120.51 116.13 2wql n ALA 153 Ca -0.01 -0.32 0.00 0.00 0.00 0.00 0.00 53.44 53.11 2wql n ALA 153 Cb 0.30 -1.04 0.00 0.00 0.00 0.00 0.00 19.45 18.71 2wql n ALA 153 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59