#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2a3s s SER 2 N 0.00 0.06 -0.70 1.62 0.01 -1.26 -5.10 113.70 108.33 2a3s s SER 2 Ca 0.00 -1.18 -0.00 0.00 1.31 0.00 0.00 55.95 56.07 2a3s s SER 2 Cb 0.00 0.46 0.17 0.00 0.21 0.00 0.00 66.02 66.86 2a3s s SER 2 CO 0.00 -0.95 0.51 -1.59 0.41 0.00 0.00 173.24 171.62 2a3s s LYS 3 N -4.09 2.66 0.25 12.44 0.00 -1.26 -4.91 119.74 124.82 2a3s s LYS 3 Ca 0.31 -2.87 0.08 0.00 0.00 0.00 0.00 55.97 53.49 2a3s s LYS 3 Cb 0.04 -3.69 0.27 0.00 0.00 0.00 0.00 37.83 34.44 2a3s s LYS 3 CO 0.10 -1.21 1.56 -1.00 0.00 0.00 0.00 175.35 174.80 2a3s h PRO 4 N 6.44 0.08 0.05 1.78 0.13 -1.99 -3.34 132.00 135.15 2a3s h PRO 4 Ca 0.05 -0.06 -0.00 0.00 -0.87 0.00 0.00 66.00 65.11 2a3s h PRO 4 Cb 0.88 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.02 2a3s h PRO 4 CO 0.75 0.71 -0.02 -1.00 -0.23 0.00 0.00 178.00 178.20 2a3s h PRO 5 N 0.06 -0.07 -7.43 1.56 0.13 -1.71 -3.33 132.00 121.21 2a3s h PRO 5 Ca -0.01 0.00 -0.50 0.00 -0.87 0.00 0.00 66.00 64.63 2a3s h PRO 5 Cb 1.17 0.02 0.08 0.00 0.13 0.00 0.00 31.00 32.39 2a3s h PRO 5 CO 0.09 0.55 0.41 0.71 -0.23 0.00 0.00 178.00 179.54 2a3s s TYR 6 N -2.92 3.38 0.00 1.56 2.02 -1.26 -3.60 117.35 116.53 2a3s s TYR 6 Ca -0.14 1.14 0.00 0.00 -0.37 0.00 0.00 57.07 57.69 2a3s s TYR 6 Cb -0.01 -2.96 0.00 0.00 -0.40 0.00 0.00 41.96 38.59 2a3s s TYR 6 CO 0.55 -1.07 0.00 0.45 -1.57 0.00 0.00 175.55 173.91 2a3s n SER 7 N -2.96 0.20 -3.51 2.29 2.88 -1.26 -4.92 113.62 106.35 2a3s n SER 7 Ca 0.07 -0.56 -0.40 0.00 -1.33 0.00 0.00 58.87 56.65 2a3s n SER 7 Cb 0.56 0.00 0.02 0.00 -0.75 0.00 0.00 64.21 64.04 2a3s n SER 7 CO 0.00 0.00 0.00 -1.22 -1.23 0.00 0.00 175.04 172.59 2a3s n TYR 8 N 0.00 2.86 0.00 0.66 4.01 -1.26 -3.16 117.16 120.28 2a3s n TYR 8 Ca 0.00 -2.60 0.00 0.00 -0.16 0.00 0.00 57.90 55.14 2a3s n TYR 8 Cb 0.00 -1.16 0.00 0.00 -0.31 0.00 0.00 39.34 37.87 2a3s n TYR 8 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 2a3s n ALA 9 N -0.13 0.00 -0.01 -0.72 0.00 -1.26 -4.84 120.51 113.55 2a3s n ALA 9 Ca 0.47 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.79 2a3s n ALA 9 Cb 0.27 0.00 -0.14 0.00 0.00 0.00 0.00 19.45 19.58 2a3s n ALA 9 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 177.50 176.94 2a3s h GLN 10 N 0.00 0.08 -0.87 0.00 -0.00 -1.88 -3.17 115.11 109.28 2a3s h GLN 10 Ca 0.00 -0.14 0.15 0.00 -0.00 0.00 0.00 58.65 58.66 2a3s h GLN 10 Cb 0.00 0.05 -0.07 0.00 -0.00 0.00 0.00 27.48 27.46 2a3s h GLN 10 CO 0.00 0.72 0.56 1.25 -0.00 0.00 0.00 178.83 181.37 2a3s h LEU 11 N 0.02 0.59 -0.01 0.06 5.85 -1.87 -0.03 115.31 119.92 2a3s h LEU 11 Ca -0.30 0.04 -0.01 0.00 0.84 0.00 0.00 57.88 58.45 2a3s h LEU 11 Cb 2.01 -0.08 -0.00 0.00 0.37 0.00 0.00 40.66 42.96 2a3s h LEU 11 CO 0.09 0.29 -0.01 0.40 -0.34 0.00 0.00 178.44 178.87 2a3s h ILE 12 N 0.62 1.37 -0.33 4.05 1.08 -1.80 -2.66 117.51 119.84 2a3s h ILE 12 Ca 0.44 -1.11 0.07 0.00 -0.39 0.00 0.00 64.86 63.87 2a3s h ILE 12 Cb 0.78 2.09 -0.08 0.00 -3.07 0.00 0.00 36.82 36.54 2a3s h ILE 12 CO -0.19 0.29 -0.31 0.58 -0.69 0.00 0.00 178.15 177.84 2a3s h VAL 13 N -0.42 0.27 -0.47 1.67 2.07 -1.01 1.78 116.25 120.14 2a3s h VAL 13 Ca 0.00 0.00 0.12 0.00 0.82 0.00 0.00 66.70 67.64 2a3s h VAL 13 Cb 0.48 0.27 -0.02 0.00 -1.52 0.00 0.00 31.29 30.50 2a3s h VAL 13 CO 0.00 0.00 0.33 1.56 0.02 0.00 0.00 177.57 179.48 2a3s h GLN 14 N -0.27 0.07 0.10 1.57 4.20 -1.32 2.58 115.11 122.03 2a3s h GLN 14 Ca 0.16 -0.00 -0.00 0.00 0.06 0.00 0.00 58.65 58.86 2a3s h GLN 14 Cb 0.52 -0.02 0.00 0.00 0.30 0.00 0.00 27.48 28.29 2a3s h GLN 14 CO -0.48 0.05 -0.05 0.00 -0.67 0.00 0.00 178.83 177.68 2a3s h ALA 15 N 1.77 -0.13 0.00 3.87 0.00 0.25 -2.95 119.26 122.06 2a3s h ALA 15 Ca 0.22 -0.24 -0.11 0.00 0.00 0.00 0.00 54.91 54.79 2a3s h ALA 15 Cb 0.79 0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.61 2a3s h ALA 15 CO -0.02 -0.31 -0.72 -0.84 0.00 0.00 0.00 179.25 177.36 2a3s h ILE 16 N -0.65 0.68 0.00 0.00 3.07 0.29 -3.20 117.51 117.70 2a3s h ILE 16 Ca -0.01 -1.74 0.00 0.00 1.55 0.00 0.00 64.86 64.66 2a3s h ILE 16 Cb 0.52 1.52 0.00 0.00 -0.27 0.00 0.00 36.82 38.58 2a3s h ILE 16 CO 0.02 0.23 0.24 0.28 -1.05 0.00 0.00 178.15 177.88 2a3s h SER 17 N -1.00 0.00 0.65 2.16 0.02 0.42 0.43 113.55 116.23 2a3s h SER 17 Ca -0.16 0.00 -0.08 0.00 -0.84 0.00 0.00 61.79 60.71 2a3s h SER 17 Cb 0.89 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.42 2a3s h SER 17 CO -0.10 0.00 -1.41 -0.24 -1.14 0.00 0.00 176.83 173.94 2a3s n SER 18 N -2.52 0.65 -3.22 3.07 2.88 -1.12 -4.81 113.62 108.55 2a3s n SER 18 Ca -0.02 0.27 0.00 0.00 -1.33 0.00 0.00 58.87 57.79 2a3s n SER 18 Cb 0.28 0.67 0.00 0.00 -0.75 0.00 0.00 64.21 64.41 2a3s n SER 18 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2a3s n ALA 19 N -2.30 0.00 -0.93 -1.46 0.00 0.15 -4.91 120.51 111.05 2a3s n ALA 19 Ca -0.06 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.38 2a3s n ALA 19 Cb 0.69 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.14 2a3s n ALA 19 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 2a3s n GLN 20 N -1.37 0.00 0.00 0.00 1.13 -1.26 -4.59 117.38 111.29 2a3s n GLN 20 Ca 0.00 0.25 0.00 0.00 -1.94 0.00 0.00 57.00 55.31 2a3s n GLN 20 Cb 0.00 -1.04 0.00 0.00 0.11 0.00 0.00 30.24 29.31 2a3s n GLN 20 CO 0.00 0.00 0.00 -0.25 -1.44 0.00 0.00 177.06 175.37 2a3s n ASP 21 N -0.84 0.00 0.00 1.08 8.00 -1.26 -5.01 116.55 118.52 2a3s n ASP 21 Ca 0.00 0.11 0.00 0.00 0.71 0.00 0.00 54.79 55.61 2a3s n ASP 21 Cb 0.00 -0.25 0.00 0.00 -0.02 0.00 0.00 41.12 40.85 2a3s n ASP 21 CO 0.00 0.00 0.00 -2.11 -0.39 0.00 0.00 177.20 174.70 2a3s n ARG 22 N -1.66 0.00 -3.82 -1.24 1.85 -1.26 -4.71 116.66 105.82 2a3s n ARG 22 Ca 0.00 0.00 -0.12 0.00 -1.00 0.00 0.00 57.85 56.73 2a3s n ARG 22 Cb 0.00 0.00 -0.11 0.00 -1.05 0.00 0.00 32.46 31.30 2a3s n ARG 22 CO 0.00 0.00 0.00 1.14 -0.01 0.00 0.00 177.63 178.76 2a3s s GLN 23 N 0.00 0.33 0.04 2.89 -2.07 -1.26 -2.78 119.66 116.82 2a3s s GLN 23 Ca 0.00 0.03 -0.01 0.00 -1.82 0.00 0.00 55.36 53.56 2a3s s GLN 23 Cb 0.00 0.15 -0.04 0.00 -1.09 0.00 0.00 33.01 32.03 2a3s s GLN 23 CO 0.00 -0.06 -0.03 -0.51 -1.32 0.00 0.00 175.29 173.37 2a3s s LEU 24 N -0.45 2.43 0.84 2.60 1.43 -0.38 -4.87 118.68 120.29 2a3s s LEU 24 Ca -0.05 -0.88 -0.12 0.00 -1.03 0.00 0.00 54.13 52.04 2a3s s LEU 24 Cb -0.04 0.17 0.10 0.00 0.03 0.00 0.00 46.19 46.45 2a3s s LEU 24 CO 0.01 -0.53 1.19 0.28 0.23 0.00 0.00 176.35 177.53 2a3s s THR 25 N -3.34 2.00 0.25 5.49 -1.32 -1.26 -1.57 115.64 115.89 2a3s s THR 25 Ca 0.02 0.00 -0.03 0.00 -1.21 0.00 0.00 61.69 60.46 2a3s s THR 25 Cb 0.04 -2.98 0.23 0.00 -1.51 0.00 0.00 72.50 68.28 2a3s s THR 25 CO -0.08 0.00 1.71 0.25 -2.21 0.00 0.00 174.62 174.29 2a3s h LEU 26 N -1.16 0.19 -3.94 9.08 6.46 -1.90 0.27 115.31 124.31 2a3s h LEU 26 Ca -0.46 0.13 -0.57 0.00 -0.12 0.00 0.00 57.88 56.86 2a3s h LEU 26 Cb 1.32 0.13 -0.29 0.00 -0.73 0.00 0.00 40.66 41.09 2a3s h LEU 26 CO 0.63 0.04 0.73 -1.20 -0.62 0.00 0.00 178.44 178.02 2a3s n SER 27 N -5.06 5.45 -0.12 1.25 7.64 -1.26 -4.32 113.62 117.20 2a3s n SER 27 Ca 0.15 -3.64 -0.21 0.00 1.01 0.00 0.00 58.87 56.19 2a3s n SER 27 Cb 0.46 -0.90 -0.10 0.00 -1.01 0.00 0.00 64.21 62.66 2a3s n SER 27 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2a3s n GLY 28 N -0.98 -0.36 0.34 0.23 0.00 0.96 -4.01 105.19 101.36 2a3s n GLY 28 Ca 0.59 -0.15 0.05 0.00 0.00 0.00 0.00 46.02 46.52 2a3s n GLY 28 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 2a3s h ILE 29 N -0.36 0.91 0.31 -0.61 2.10 -1.75 0.33 117.51 118.45 2a3s h ILE 29 Ca -0.58 -0.31 -0.02 0.00 1.08 0.00 0.00 64.86 65.03 2a3s h ILE 29 Cb 1.73 -0.07 0.00 0.00 -1.09 0.00 0.00 36.82 37.39 2a3s h ILE 29 CO -0.21 0.17 -0.15 1.88 -1.08 0.00 0.00 178.15 178.76 2a3s h TYR 30 N 0.91 -0.39 -0.03 2.19 0.05 -1.83 0.16 116.97 118.03 2a3s h TYR 30 Ca 0.46 -0.01 0.01 0.00 0.05 0.00 0.00 58.73 59.23 2a3s h TYR 30 Cb 0.44 0.13 -0.00 0.00 1.01 0.00 0.00 36.73 38.30 2a3s h TYR 30 CO -0.03 -0.07 0.04 0.00 -1.05 0.00 0.00 178.16 177.05 2a3s h ALA 31 N -0.18 1.50 0.08 3.88 0.00 -1.57 0.11 119.26 123.09 2a3s h ALA 31 Ca -0.04 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.86 2a3s h ALA 31 Cb 0.49 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.29 2a3s h ALA 31 CO 0.07 -0.05 -0.04 1.25 0.00 0.00 0.00 179.25 180.48 2a3s h HIS 32 N 0.00 -0.10 -0.91 0.00 -0.00 0.15 -3.13 115.15 111.15 2a3s h HIS 32 Ca 0.01 -0.00 0.14 0.00 -0.00 0.00 0.00 60.37 60.52 2a3s h HIS 32 Cb 0.09 0.03 -0.07 0.00 -0.00 0.00 0.00 27.41 27.46 2a3s h HIS 32 CO 0.00 -0.06 0.58 0.97 -0.00 0.00 0.00 177.93 179.42 2a3s h ILE 33 N -0.71 0.84 -0.19 6.26 2.10 -0.52 0.43 117.51 125.72 2a3s h ILE 33 Ca -0.01 -0.25 0.06 0.00 1.08 0.00 0.00 64.86 65.73 2a3s h ILE 33 Cb 0.09 0.04 -0.01 0.00 -1.09 0.00 0.00 36.82 35.85 2a3s h ILE 33 CO 0.02 0.13 0.15 0.71 -1.08 0.00 0.00 178.15 178.08 2a3s h THR 34 N 0.73 0.80 0.00 2.19 1.35 -0.88 0.93 112.91 118.03 2a3s h THR 34 Ca 0.46 0.00 -0.13 0.00 -0.55 0.00 0.00 66.41 66.19 2a3s h THR 34 Cb 0.70 0.89 -0.02 0.00 -1.73 0.00 0.00 68.15 67.99 2a3s h THR 34 CO -0.22 0.00 -1.01 0.50 -0.25 0.00 0.00 175.52 174.54 2a3s h LYS 35 N 0.00 0.00 0.00 4.72 3.64 -0.12 -3.41 116.57 121.40 2a3s h LYS 35 Ca 0.09 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.47 2a3s h LYS 35 Cb 0.39 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.21 2a3s h LYS 35 CO -0.00 0.35 0.00 0.72 -2.27 0.00 0.00 179.45 178.25 2a3s n HIS 36 N -3.01 0.00 -2.69 1.91 8.25 0.34 -4.88 115.22 115.14 2a3s n HIS 36 Ca -0.04 0.00 -0.43 0.00 -0.26 0.00 0.00 57.72 56.99 2a3s n HIS 36 Cb 0.77 -0.11 -0.02 0.00 1.12 0.00 0.00 29.99 31.75 2a3s n HIS 36 CO 0.00 0.00 0.00 0.71 0.64 0.00 0.00 176.34 177.69 2a3s s TYR 37 N -0.89 3.40 0.14 4.41 2.02 0.29 -4.91 117.35 121.82 2a3s s TYR 37 Ca 0.00 1.48 0.02 0.00 -0.37 0.00 0.00 57.07 58.21 2a3s s TYR 37 Cb 0.00 -3.22 -0.10 0.00 -0.40 0.00 0.00 41.96 38.24 2a3s s TYR 37 CO 0.00 -0.37 1.31 -1.00 -1.57 0.00 0.00 175.55 173.92 2a3s h PRO 38 N 7.33 0.15 -0.86 -1.71 0.13 -1.82 -3.26 132.00 131.97 2a3s h PRO 38 Ca -0.24 -0.20 -0.01 0.00 -0.87 0.00 0.00 66.00 64.67 2a3s h PRO 38 Cb 1.10 0.07 -0.04 0.00 0.13 0.00 0.00 31.00 32.25 2a3s h PRO 38 CO 0.92 1.01 0.49 -0.92 -0.23 0.00 0.00 178.00 179.27 2a3s h TYR 39 N 0.07 1.17 0.00 1.56 5.03 -1.93 -0.53 116.97 122.34 2a3s h TYR 39 Ca -0.05 -0.02 0.00 0.00 2.58 0.00 0.00 58.73 61.24 2a3s h TYR 39 Cb 1.66 -0.38 0.00 0.00 1.55 0.00 0.00 36.73 39.56 2a3s h TYR 39 CO 0.03 0.80 0.00 0.66 -1.32 0.00 0.00 178.16 178.33 2a3s n TYR 40 N -4.38 0.24 -0.23 -3.82 4.01 -1.23 -2.94 117.16 108.81 2a3s n TYR 40 Ca 0.09 0.09 -0.04 0.00 -0.16 0.00 0.00 57.90 57.88 2a3s n TYR 40 Cb 0.08 -0.64 0.13 0.00 -0.31 0.00 0.00 39.34 38.60 2a3s n TYR 40 CO 0.00 0.00 0.00 -0.09 -0.46 0.00 0.00 176.86 176.31 2a3s h ARG 41 N 0.00 1.06 -0.94 -0.72 2.43 -1.13 -3.12 114.38 111.96 2a3s h ARG 41 Ca 0.00 -0.18 -0.51 0.00 -0.81 0.00 0.00 59.98 58.48 2a3s h ARG 41 Cb 0.36 -0.18 -0.42 0.00 -0.42 0.00 0.00 29.97 29.31 2a3s h ARG 41 CO 0.00 0.86 -0.86 0.25 -1.51 0.00 0.00 179.97 178.71 2a3s n THR 42 N -4.29 2.23 0.00 0.20 -2.24 -1.15 -5.04 114.28 103.98 2a3s n THR 42 Ca 0.06 -4.18 0.00 0.00 -2.27 0.00 0.00 64.05 57.66 2a3s n THR 42 Cb 0.18 -0.76 0.00 0.00 -2.10 0.00 0.00 70.33 67.65 2a3s n THR 42 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2a3s n ALA 43 N -0.59 0.00 -2.66 6.98 0.00 -1.18 -5.09 120.51 117.97 2a3s n ALA 43 Ca 0.36 0.00 -0.29 0.00 0.00 0.00 0.00 53.44 53.50 2a3s n ALA 43 Cb 0.85 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 20.21 2a3s n ALA 43 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2a3s s ASP 44 N -1.19 3.86 -0.69 0.00 1.11 -1.26 -5.00 116.67 113.50 2a3s s ASP 44 Ca 0.00 -1.49 -0.06 0.00 0.18 0.00 0.00 52.55 51.18 2a3s s ASP 44 Cb 0.00 -0.01 -0.13 0.00 1.07 0.00 0.00 42.92 43.85 2a3s s ASP 44 CO 0.00 -0.62 2.66 1.17 1.18 0.00 0.00 175.17 179.55 2a3s n LYS 45 N -1.06 2.24 -0.00 8.23 4.81 -1.26 -4.19 118.16 126.92 2a3s n LYS 45 Ca -0.10 -1.34 -0.01 0.00 -0.87 0.00 0.00 58.31 55.99 2a3s n LYS 45 Cb 0.67 -2.29 -0.00 0.00 0.02 0.00 0.00 35.03 33.43 2a3s n LYS 45 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2a3s n GLY 46 N 3.22 -0.19 0.32 3.14 0.00 -1.26 -4.65 105.19 105.77 2a3s n GLY 46 Ca 0.48 -0.03 0.16 0.00 0.00 0.00 0.00 46.02 46.62 2a3s n GLY 46 CO 0.00 0.00 0.00 0.11 0.00 0.00 0.00 173.32 173.43 2a3s h TRP 47 N -0.10 0.00 0.00 1.61 5.08 -1.97 -2.34 115.95 118.23 2a3s h TRP 47 Ca 0.00 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.97 2a3s h TRP 47 Cb 0.10 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.26 2a3s h TRP 47 CO -0.04 0.00 0.00 0.94 -1.28 0.00 0.00 178.44 178.06 2a3s n GLN 48 N -3.89 0.00 0.26 0.12 -0.06 -1.26 0.53 117.38 113.08 2a3s n GLN 48 Ca -0.00 0.81 0.15 0.00 -2.00 0.00 0.00 57.00 55.95 2a3s n GLN 48 Cb 0.22 -1.47 0.57 0.00 -4.06 0.00 0.00 30.24 25.50 2a3s n GLN 48 CO 0.00 0.00 0.00 -0.91 -0.20 0.00 0.00 177.06 175.95 2a3s h ASN 49 N 0.00 0.00 -0.22 1.69 -0.26 -1.82 -3.14 115.58 111.83 2a3s h ASN 49 Ca 0.00 0.00 -0.06 0.00 -0.56 0.00 0.00 56.30 55.68 2a3s h ASN 49 Cb 0.00 0.00 -0.01 0.00 -1.06 0.00 0.00 38.32 37.25 2a3s h ASN 49 CO 0.00 0.05 -0.11 -1.28 -1.06 0.00 0.00 177.43 175.03 2a3s h SER 50 N 0.00 0.47 0.59 5.81 0.87 -0.68 -2.66 113.55 117.95 2a3s h SER 50 Ca -0.00 -0.41 -0.02 0.00 -1.23 0.00 0.00 61.79 60.13 2a3s h SER 50 Cb 0.63 -0.13 -0.01 0.00 -0.44 0.00 0.00 62.40 62.45 2a3s h SER 50 CO 0.01 0.78 -0.45 0.40 -0.53 0.00 0.00 176.83 177.03 2a3s h ILE 51 N 0.16 0.00 -1.02 2.23 1.08 0.13 1.37 117.51 121.47 2a3s h ILE 51 Ca 0.05 0.00 0.27 0.00 -0.39 0.00 0.00 64.86 64.79 2a3s h ILE 51 Cb 0.60 0.00 -0.13 0.00 -3.07 0.00 0.00 36.82 34.22 2a3s h ILE 51 CO 0.03 0.00 0.61 -0.09 -0.69 0.00 0.00 178.15 178.01 2a3s h ARG 52 N -1.00 0.48 -0.01 2.37 9.65 -1.63 1.26 114.38 125.50 2a3s h ARG 52 Ca -0.08 -0.03 -0.17 0.00 -1.10 0.00 0.00 59.98 58.60 2a3s h ARG 52 Cb 0.83 -0.11 -0.02 0.00 -1.39 0.00 0.00 29.97 29.28 2a3s h ARG 52 CO 0.02 0.32 -0.78 1.25 2.80 0.00 0.00 179.97 183.58 2a3s h HIS 53 N 0.50 0.15 -0.17 2.20 2.76 -0.96 -3.12 115.15 116.51 2a3s h HIS 53 Ca 0.66 -0.08 -0.10 0.00 -2.20 0.00 0.00 60.37 58.65 2a3s h HIS 53 Cb 1.38 -0.02 -0.00 0.00 1.55 0.00 0.00 27.41 30.32 2a3s h HIS 53 CO -0.01 0.84 -0.29 -0.91 -1.30 0.00 0.00 177.93 176.27 2a3s h ASN 54 N 0.07 0.55 0.37 3.26 2.35 1.09 -1.30 115.58 121.97 2a3s h ASN 54 Ca -0.02 -0.53 0.00 0.00 -0.55 0.00 0.00 56.30 55.20 2a3s h ASN 54 Cb 1.36 -0.16 0.00 0.00 0.05 0.00 0.00 38.32 39.57 2a3s h ASN 54 CO 0.11 0.98 0.00 -0.07 -1.65 0.00 0.00 177.43 176.80 2a3s h LEU 55 N 0.15 0.00 0.10 1.61 3.38 -0.34 2.11 115.31 122.32 2a3s h LEU 55 Ca 0.01 0.00 -0.32 0.00 0.09 0.00 0.00 57.88 57.66 2a3s h LEU 55 Cb 0.87 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.60 2a3s h LEU 55 CO 0.07 0.00 -1.71 -1.28 0.09 0.00 0.00 178.44 175.60 2a3s h SER 56 N 0.00 0.34 1.01 -0.43 0.87 -1.43 -3.38 113.55 110.54 2a3s h SER 56 Ca 0.00 -0.84 -0.09 0.00 -1.23 0.00 0.00 61.79 59.63 2a3s h SER 56 Cb 0.19 -0.11 -0.01 0.00 -0.44 0.00 0.00 62.40 62.02 2a3s h SER 56 CO 0.00 1.73 -1.04 0.17 -0.53 0.00 0.00 176.83 177.17 2a3s h LEU 57 N -0.22 0.00 -9.46 2.23 8.10 -0.83 -3.47 115.31 111.66 2a3s h LEU 57 Ca -0.38 0.00 -0.59 0.00 0.11 0.00 0.00 57.88 57.02 2a3s h LEU 57 Cb 1.84 0.00 0.17 0.00 -0.44 0.00 0.00 40.66 42.22 2a3s h LEU 57 CO 0.03 0.31 -0.40 0.59 -4.11 0.00 0.00 178.44 174.86 2a3s n ASN 58 N -2.87 -1.01 -0.01 0.17 5.03 0.71 -4.90 115.26 112.38 2a3s n ASN 58 Ca -0.04 0.78 -0.07 0.00 0.87 0.00 0.00 54.58 56.12 2a3s n ASN 58 Cb 0.70 -1.16 -0.13 0.00 -1.02 0.00 0.00 39.78 38.17 2a3s n ASN 58 CO 0.00 0.00 0.00 -1.14 -1.83 0.00 0.00 177.26 174.29 2a3s n ARG 59 N 0.14 0.63 -0.87 3.52 0.63 -1.26 -4.11 116.66 115.34 2a3s n ARG 59 Ca 0.11 0.27 -0.07 0.00 -0.92 0.00 0.00 57.85 57.25 2a3s n ARG 59 Cb 0.46 -1.79 0.22 0.00 0.45 0.00 0.00 32.46 31.80 2a3s n ARG 59 CO 0.00 0.00 0.00 2.48 -2.51 0.00 0.00 177.63 177.60 2a3s n TYR 60 N -3.00 1.70 -4.46 -0.14 0.18 -1.26 -4.93 117.16 105.25 2a3s n TYR 60 Ca -0.16 -1.47 -0.22 0.00 1.88 0.00 0.00 57.90 57.93 2a3s n TYR 60 Cb 1.01 -0.59 -0.14 0.00 -0.38 0.00 0.00 39.34 39.24 2a3s n TYR 60 CO 0.00 0.00 0.00 -0.06 -2.08 0.00 0.00 176.86 174.72 2a3s s PHE 61 N -3.15 1.35 0.18 -3.48 0.08 -1.26 0.15 117.98 111.86 2a3s s PHE 61 Ca 0.49 -0.34 -0.22 0.00 0.12 0.00 0.00 56.93 56.98 2a3s s PHE 61 Cb 0.42 -0.81 0.06 0.00 -0.57 0.00 0.00 43.02 42.11 2a3s s PHE 61 CO 0.06 0.04 0.60 0.96 -0.10 0.00 0.00 175.22 176.77 2a3s s ILE 62 N -0.75 0.01 0.12 0.64 -4.36 -0.30 -4.75 121.20 111.81 2a3s s ILE 62 Ca 0.03 -0.28 0.04 0.00 -0.26 0.00 0.00 60.65 60.19 2a3s s ILE 62 Cb -0.08 -1.23 -0.04 0.00 1.25 0.00 0.00 42.46 42.36 2a3s s ILE 62 CO 0.01 -0.03 0.11 -0.54 0.24 0.00 0.00 174.94 174.73 2a3s s LYS 63 N -3.79 2.90 0.34 0.37 1.02 -1.26 -0.96 119.74 118.36 2a3s s LYS 63 Ca 0.04 -0.78 -0.29 0.00 0.02 0.00 0.00 55.97 54.96 2a3s s LYS 63 Cb -0.02 -2.69 -0.11 0.00 -0.52 0.00 0.00 37.83 34.49 2a3s s LYS 63 CO -0.09 0.52 1.54 0.14 -0.92 0.00 0.00 175.35 176.55 2a3s s VAL 64 N -1.58 2.05 0.00 3.17 -7.23 -1.05 -4.85 120.40 110.90 2a3s s VAL 64 Ca 0.30 0.04 0.00 0.00 -1.81 0.00 0.00 61.98 60.51 2a3s s VAL 64 Cb -0.11 -3.03 0.00 0.00 0.56 0.00 0.00 36.38 33.80 2a3s s VAL 64 CO 0.23 0.01 0.03 -0.81 -0.31 0.00 0.00 175.10 174.25 2a3s n PRO 65 N 1.26 0.00 -3.71 4.82 -0.04 -1.26 -4.85 135.00 131.21 2a3s n PRO 65 Ca 0.04 0.00 -0.36 0.00 -0.04 0.00 0.00 63.50 63.15 2a3s n PRO 65 Cb 0.38 -0.49 -0.09 0.00 -0.04 0.00 0.00 33.50 33.26 2a3s n PRO 65 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 2a3s s ARG 66 N -0.07 4.11 -0.12 0.54 0.52 -1.26 -5.06 118.95 117.61 2a3s s ARG 66 Ca 0.00 -0.26 -0.04 0.00 -0.52 0.00 0.00 55.73 54.92 2a3s s ARG 66 Cb 0.00 -3.46 0.06 0.00 0.52 0.00 0.00 34.95 32.06 2a3s s ARG 66 CO 0.00 0.17 0.15 -1.54 0.02 0.00 0.00 175.30 174.10 2a3s s SER 67 N 0.73 1.18 -0.19 0.23 1.04 -1.26 -5.00 113.70 110.43 2a3s s SER 67 Ca 0.07 0.04 0.06 0.00 0.48 0.00 0.00 55.95 56.60 2a3s s SER 67 Cb -0.12 0.17 0.45 0.00 0.10 0.00 0.00 66.02 66.62 2a3s s SER 67 CO 0.02 -0.28 1.36 0.00 0.98 0.00 0.00 173.24 175.32 2a3s n GLN 68 N 5.31 2.68 0.09 4.02 0.00 -1.26 -4.13 117.38 124.10 2a3s n GLN 68 Ca -0.05 -1.83 -0.13 0.00 0.00 0.00 0.00 57.00 54.98 2a3s n GLN 68 Cb 0.50 -1.85 -0.11 0.00 0.00 0.00 0.00 30.24 28.78 2a3s n GLN 68 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.06 177.99 2a3s h GLU 69 N 1.65 0.24 -0.04 2.61 5.08 -2.03 -3.44 114.58 118.65 2a3s h GLU 69 Ca 0.15 -0.37 0.12 0.00 -1.00 0.00 0.00 59.36 58.26 2a3s h GLU 69 Cb 1.68 0.13 -0.16 0.00 0.50 0.00 0.00 28.75 30.89 2a3s h GLU 69 CO 0.44 1.14 -0.05 -2.00 -1.00 0.00 0.00 179.01 177.55 2a3s s GLU 70 N -2.80 0.04 0.03 2.33 2.12 -1.26 -5.01 118.70 114.14 2a3s s GLU 70 Ca -0.03 -0.02 0.25 0.00 0.36 0.00 0.00 54.97 55.52 2a3s s GLU 70 Cb 0.08 0.00 1.04 0.00 0.26 0.00 0.00 34.13 35.51 2a3s s GLU 70 CO 0.87 -0.05 1.79 -0.35 -0.54 0.00 0.00 175.26 176.98 2a3s n PRO 71 N 3.11 0.03 0.00 4.30 -0.04 -1.26 -3.60 135.00 137.54 2a3s n PRO 71 Ca 0.07 0.10 0.00 0.00 -0.04 0.00 0.00 63.50 63.63 2a3s n PRO 71 Cb 0.65 -1.54 0.00 0.00 -0.04 0.00 0.00 33.50 32.58 2a3s n PRO 71 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2a3s n GLY 72 N 1.05 0.01 2.75 0.55 0.00 -1.26 -4.72 105.19 103.57 2a3s n GLY 72 Ca 0.06 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.79 2a3s n GLY 72 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2a3s n LYS 73 N 0.00 2.28 -3.81 1.61 4.76 -1.26 -5.05 118.16 116.70 2a3s n LYS 73 Ca 0.00 -4.57 -0.09 0.00 -2.87 0.00 0.00 58.31 50.78 2a3s n LYS 73 Cb 0.00 -2.30 -0.04 0.00 -1.84 0.00 0.00 35.03 30.84 2a3s n LYS 73 CO 0.00 0.00 0.00 0.20 -1.37 0.00 0.00 177.40 176.23 2a3s s GLY 74 N -1.71 0.07 -0.13 0.72 0.00 -1.24 -5.10 107.32 99.94 2a3s s GLY 74 Ca 0.31 -0.41 -0.30 0.00 0.00 0.00 0.00 44.72 44.31 2a3s s GLY 74 CO -0.10 -0.40 0.89 -0.56 0.00 0.00 0.00 173.10 172.94 2a3s s SER 75 N -2.91 -0.47 -0.26 1.64 0.01 -1.26 -4.90 113.70 105.56 2a3s s SER 75 Ca 0.12 0.51 -0.06 0.00 1.31 0.00 0.00 55.95 57.84 2a3s s SER 75 Cb -0.00 0.39 0.13 0.00 0.21 0.00 0.00 66.02 66.75 2a3s s SER 75 CO -0.01 -0.43 0.51 0.12 0.41 0.00 0.00 173.24 173.85 2a3s s PHE 76 N -1.12 -1.12 -0.05 2.43 2.19 -1.26 -4.56 117.98 114.48 2a3s s PHE 76 Ca -0.05 1.66 0.04 0.00 0.33 0.00 0.00 56.93 58.91 2a3s s PHE 76 Cb -0.00 0.45 -0.02 0.00 -1.31 0.00 0.00 43.02 42.13 2a3s s PHE 76 CO 0.04 -0.66 -0.15 1.67 1.83 0.00 0.00 175.22 177.95 2a3s s TRP 77 N 2.73 2.69 0.46 10.12 1.48 -0.61 -2.52 118.94 133.28 2a3s s TRP 77 Ca 0.04 -0.21 0.02 0.00 -1.06 0.00 0.00 56.10 54.89 2a3s s TRP 77 Cb -0.13 -1.64 -0.01 0.00 -1.16 0.00 0.00 33.47 30.54 2a3s s TRP 77 CO -0.17 0.15 0.06 2.89 -4.06 0.00 0.00 176.95 175.82 2a3s n ARG 78 N 2.40 0.72 -2.63 3.25 1.85 -0.13 -1.24 116.66 120.88 2a3s n ARG 78 Ca -0.17 -3.50 -0.23 0.00 -1.00 0.00 0.00 57.85 52.94 2a3s n ARG 78 Cb 0.52 1.31 0.03 0.00 -1.05 0.00 0.00 32.46 33.27 2a3s n ARG 78 CO 0.00 0.00 0.00 0.96 -0.01 0.00 0.00 177.63 178.58 2a3s s ILE 79 N -2.89 3.14 0.51 8.89 -4.36 -1.12 -1.15 121.20 124.23 2a3s s ILE 79 Ca 0.08 -0.45 -0.23 0.00 -0.26 0.00 0.00 60.65 59.79 2a3s s ILE 79 Cb 0.00 -3.21 -0.06 0.00 1.25 0.00 0.00 42.46 40.44 2a3s s ILE 79 CO 0.06 -0.17 1.35 -0.67 0.24 0.00 0.00 174.94 175.75 2a3s n ASP 80 N -2.40 2.75 0.00 4.36 2.03 0.41 -4.65 116.55 119.06 2a3s n ASP 80 Ca 0.06 1.03 -0.17 0.00 0.52 0.00 0.00 54.79 56.22 2a3s n ASP 80 Cb 0.59 -1.57 -0.12 0.00 -0.72 0.00 0.00 41.12 39.30 2a3s n ASP 80 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 2a3s h PRO 81 N 1.70 0.28 -0.45 -0.67 0.13 -1.95 -2.74 132.00 128.31 2a3s h PRO 81 Ca -0.50 -0.36 0.00 0.00 -0.87 0.00 0.00 66.00 64.27 2a3s h PRO 81 Cb 1.30 0.11 0.00 0.00 0.13 0.00 0.00 31.00 32.54 2a3s h PRO 81 CO 0.58 1.09 0.00 0.00 -0.23 0.00 0.00 178.00 179.44 2a3s n ALA 82 N -2.60 2.61 -0.02 -0.56 0.00 -1.26 -3.49 120.51 115.19 2a3s n ALA 82 Ca -0.11 -0.66 0.00 0.00 0.00 0.00 0.00 53.44 52.67 2a3s n ALA 82 Cb 0.66 -0.99 0.00 0.00 0.00 0.00 0.00 19.45 19.11 2a3s n ALA 82 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 2a3s n SER 83 N 0.45 0.18 -0.23 0.00 7.64 -1.23 -4.67 113.62 115.75 2a3s n SER 83 Ca 0.12 -0.56 0.06 0.00 1.01 0.00 0.00 58.87 59.49 2a3s n SER 83 Cb 0.38 0.72 0.31 0.00 -1.01 0.00 0.00 64.21 64.60 2a3s n SER 83 CO 0.00 0.00 0.00 1.05 -3.01 0.00 0.00 175.04 173.08 2a3s h GLU 84 N 0.00 0.84 0.00 1.43 4.11 -1.52 2.46 114.58 121.90 2a3s h GLU 84 Ca 0.00 -0.05 0.00 0.00 0.07 0.00 0.00 59.36 59.38 2a3s h GLU 84 Cb 0.01 -0.19 0.00 0.00 0.50 0.00 0.00 28.75 29.07 2a3s h GLU 84 CO 0.00 0.56 0.00 0.00 0.07 0.00 0.00 179.01 179.64 2a3s h ALA 85 N 1.57 1.00 0.00 1.06 0.00 -1.83 -2.62 119.26 118.44 2a3s h ALA 85 Ca 0.35 0.00 -0.22 0.00 0.00 0.00 0.00 54.91 55.04 2a3s h ALA 85 Cb 0.24 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.00 2a3s h ALA 85 CO -0.12 0.00 -1.37 1.17 0.00 0.00 0.00 179.25 178.93 2a3s n LYS 86 N -2.81 0.54 0.11 0.00 4.81 0.23 -4.12 118.16 116.91 2a3s n LYS 86 Ca 0.03 0.47 -0.12 0.00 -0.87 0.00 0.00 58.31 57.81 2a3s n LYS 86 Cb 0.40 -1.66 -0.06 0.00 0.02 0.00 0.00 35.03 33.74 2a3s n LYS 86 CO 0.00 0.00 0.00 1.37 1.17 0.00 0.00 177.40 179.94 2a3s h LEU 87 N -1.00 -0.72 -1.75 3.14 -0.00 0.37 -0.48 115.31 114.87 2a3s h LEU 87 Ca -0.33 0.09 0.50 0.00 -0.00 0.00 0.00 57.88 58.13 2a3s h LEU 87 Cb 1.19 0.28 -0.10 0.00 -0.00 0.00 0.00 40.66 42.03 2a3s h LEU 87 CO -0.20 -0.34 1.13 -0.37 -0.00 0.00 0.00 178.44 178.66 2a3s h VAL 88 N -0.45 0.09 -0.95 0.15 -1.51 -1.64 1.04 116.25 112.97 2a3s h VAL 88 Ca 0.03 -0.01 0.13 0.00 -1.23 0.00 0.00 66.70 65.62 2a3s h VAL 88 Cb 0.48 0.06 -0.08 0.00 -2.13 0.00 0.00 31.29 29.62 2a3s h VAL 88 CO -0.15 0.01 0.61 1.05 -1.23 0.00 0.00 177.57 177.85 2a3s h GLU 89 N 0.03 0.85 0.00 5.19 4.11 -1.23 0.53 114.58 124.06 2a3s h GLU 89 Ca 0.86 -0.05 0.00 0.00 0.07 0.00 0.00 59.36 60.24 2a3s h GLU 89 Cb 3.15 -0.19 0.00 0.00 0.50 0.00 0.00 28.75 32.21 2a3s h GLU 89 CO -0.18 0.56 -0.44 0.37 0.07 0.00 0.00 179.01 179.39 2a3s h GLN 90 N 0.88 0.00 0.00 1.06 5.75 0.99 -3.41 115.11 120.38 2a3s h GLN 90 Ca 0.47 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.97 2a3s h GLN 90 Cb 0.57 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.12 2a3s h GLN 90 CO -0.24 0.00 0.00 0.00 -2.65 0.00 0.00 178.83 175.94 2a3s n ALA 91 N -1.86 0.00 -1.36 3.38 0.00 0.19 -3.85 120.51 117.00 2a3s n ALA 91 Ca 0.04 0.00 -0.25 0.00 0.00 0.00 0.00 53.44 53.23 2a3s n ALA 91 Cb 0.45 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.79 2a3s n ALA 91 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 177.50 179.47 2a3s n PHE 92 N 0.00 1.00 -3.24 0.00 1.16 -1.18 -4.63 117.46 110.57 2a3s n PHE 92 Ca 0.00 -0.52 -0.11 0.00 -1.87 0.00 0.00 57.45 54.95 2a3s n PHE 92 Cb 0.00 -2.12 -0.05 0.00 -1.61 0.00 0.00 39.48 35.70 2a3s n PHE 92 CO 0.00 0.00 0.00 0.50 -1.87 0.00 0.00 176.76 175.39 2a3s s ARG 93 N 7.70 0.78 -0.53 3.97 3.52 -1.25 -5.01 118.95 128.13 2a3s s ARG 93 Ca 0.76 -0.87 -0.26 0.00 -0.13 0.00 0.00 55.73 55.23 2a3s s ARG 93 Cb 0.02 -0.48 -0.07 0.00 -1.56 0.00 0.00 34.95 32.86 2a3s s ARG 93 CO 0.22 -1.23 2.35 0.15 -0.81 0.00 0.00 175.30 175.97 2a3s s LYS 94 N 1.31 2.12 0.34 5.12 1.02 -1.26 -4.77 119.74 123.61 2a3s s LYS 94 Ca 0.20 1.25 0.08 0.00 0.02 0.00 0.00 55.97 57.52 2a3s s LYS 94 Cb -0.08 -4.58 -0.04 0.00 -0.52 0.00 0.00 37.83 32.61 2a3s s LYS 94 CO -0.06 -3.30 0.20 -0.98 -0.92 0.00 0.00 175.35 170.29 2a3s s ARG 95 N 8.17 2.51 0.00 1.68 1.70 -1.24 -4.92 118.95 126.86 2a3s s ARG 95 Ca 0.94 -1.45 0.00 0.00 -0.47 0.00 0.00 55.73 54.75 2a3s s ARG 95 Cb -0.16 -2.29 0.00 0.00 -0.57 0.00 0.00 34.95 31.93 2a3s s ARG 95 CO 0.24 0.10 0.56 2.89 -1.08 0.00 0.00 175.30 178.02 2a3s n ARG 96 N -1.24 0.00 -3.28 3.89 1.85 -1.25 -1.82 116.66 114.81 2a3s n ARG 96 Ca -0.03 -0.13 0.03 0.00 -1.00 0.00 0.00 57.85 56.73 2a3s n ARG 96 Cb 0.61 0.02 -0.04 0.00 -1.05 0.00 0.00 32.46 31.99 2a3s n ARG 96 CO 0.00 0.00 0.00 -1.14 -0.01 0.00 0.00 177.63 176.48 2a3s s GLN 97 N 0.00 0.06 -0.18 2.89 0.74 -1.26 -5.06 119.66 116.85 2a3s s GLN 97 Ca 0.00 0.14 -0.12 0.00 0.05 0.00 0.00 55.36 55.44 2a3s s GLN 97 Cb 0.00 0.08 0.06 0.00 1.10 0.00 0.00 33.01 34.24 2a3s s GLN 97 CO -0.00 -0.02 0.46 1.03 -0.55 0.00 0.00 175.29 176.21 2a3s s ARG 98 N 1.90 0.47 -0.30 1.67 1.81 -1.26 -5.15 118.95 118.10 2a3s s ARG 98 Ca -0.01 0.80 -0.17 0.00 -1.72 0.00 0.00 55.73 54.63 2a3s s ARG 98 Cb -0.01 0.07 0.18 0.00 -0.45 0.00 0.00 34.95 34.74 2a3s s ARG 98 CO -0.15 -0.13 1.14 0.20 -0.68 0.00 0.00 175.30 175.68 2a3s s GLY 99 N 1.10 0.20 0.00 -3.53 0.00 -1.26 -5.04 107.32 98.80 2a3s s GLY 99 Ca -0.07 3.46 0.00 0.00 0.00 0.00 0.00 44.72 48.11 2a3s s GLY 99 CO -0.10 3.03 0.38 3.33 0.00 0.00 0.00 173.10 179.74 2a3s n VAL 100 N 4.10 0.14 -0.87 1.40 0.24 -1.26 -5.34 118.33 116.75 2a3s n VAL 100 Ca -0.12 -0.24 0.00 0.00 -2.04 0.00 0.00 64.34 61.93 2a3s n VAL 100 Cb 0.55 1.31 0.00 0.00 -1.47 0.00 0.00 33.84 34.23 2a3s n VAL 100 CO 0.00 0.00 0.00 -1.20 -2.14 0.00 0.00 176.83 173.49