#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 3.61 -0.50 1.62 0.15 -1.26 -4.75 113.70 112.57 2a3s s SER 2 Ca 0.00 -1.01 0.03 0.00 0.70 0.00 0.00 55.95 55.67 2a3s s SER 2 Cb 0.00 -0.32 0.15 0.00 -1.71 0.00 0.00 66.02 64.14 2a3s s SER 2 CO 0.00 0.04 0.31 -0.75 1.20 0.00 0.00 173.24 174.05 2a3s s LYS 3 N -3.48 1.56 -0.50 5.44 2.20 -1.26 -5.07 119.74 118.63 2a3s s LYS 3 Ca 0.30 -2.38 -0.29 0.00 -0.36 0.00 0.00 55.97 53.24 2a3s s LYS 3 Cb -0.05 -2.53 0.02 0.00 -1.51 0.00 0.00 37.83 33.76 2a3s s LYS 3 CO 0.15 -1.22 1.23 -1.25 -0.36 0.00 0.00 175.35 173.90 2a3s s PRO 4 N -0.16 3.61 -0.05 4.03 0.04 -1.26 -4.92 135.00 136.30 2a3s s PRO 4 Ca 0.22 0.56 -0.01 0.00 0.04 0.00 0.00 61.00 61.80 2a3s s PRO 4 Cb -0.16 -3.97 -0.00 0.00 0.04 0.00 0.00 34.50 30.40 2a3s s PRO 4 CO -0.07 -1.54 -0.03 -1.00 0.04 0.00 0.00 177.00 174.41 2a3s h PRO 5 N 9.76 0.00 -6.21 0.56 0.13 -2.03 -3.48 132.00 130.73 2a3s h PRO 5 Ca -0.25 0.00 -0.49 0.00 -0.87 0.00 0.00 66.00 64.39 2a3s h PRO 5 Cb 1.07 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.17 2a3s h PRO 5 CO 1.14 0.00 -0.44 0.71 -0.23 0.00 0.00 178.00 179.17 2a3s s TYR 6 N -1.33 2.95 0.37 1.56 1.51 -1.26 -4.77 117.35 116.38 2a3s s TYR 6 Ca -0.02 -0.27 -0.25 0.00 -1.01 0.00 0.00 57.07 55.52 2a3s s TYR 6 Cb 0.00 -1.77 -0.13 0.00 -0.11 0.00 0.00 41.96 39.95 2a3s s TYR 6 CO 0.03 0.20 0.85 0.43 -1.11 0.00 0.00 175.55 175.96 2a3s n SER 7 N -1.38 0.54 -4.54 2.29 7.64 -1.26 -4.65 113.62 112.26 2a3s n SER 7 Ca -0.02 1.05 -0.20 0.00 1.01 0.00 0.00 58.87 60.71 2a3s n SER 7 Cb 0.59 -1.24 -0.10 0.00 -1.01 0.00 0.00 64.21 62.45 2a3s n SER 7 CO 0.00 0.00 0.00 -1.22 -3.01 0.00 0.00 175.04 170.81 2a3s n TYR 8 N -0.34 1.50 0.00 1.43 4.01 -1.26 -1.77 117.16 120.72 2a3s n TYR 8 Ca 0.11 -0.63 0.00 0.00 -0.16 0.00 0.00 57.90 57.22 2a3s n TYR 8 Cb 0.36 -2.56 0.00 0.00 -0.31 0.00 0.00 39.34 36.84 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 17.73 0.00 0.08 -0.72 0.00 -1.26 -4.89 120.51 131.45 2a3s n ALA 9 Ca 0.43 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.75 2a3s n ALA 9 Cb 0.47 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.87 2a3s n ALA 9 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 2a3s h GLN 10 N 0.00 0.26 -0.22 0.00 4.20 -1.66 -1.94 115.11 115.76 2a3s h GLN 10 Ca 0.00 -0.32 0.06 0.00 0.06 0.00 0.00 58.65 58.46 2a3s h GLN 10 Cb 0.00 0.10 -0.01 0.00 0.30 0.00 0.00 27.48 27.87 2a3s h GLN 10 CO 0.00 1.05 0.21 -0.07 -0.67 0.00 0.00 178.83 179.35 2a3s h LEU 11 N 0.13 0.00 0.00 1.46 -0.00 -1.88 -0.01 115.31 115.01 2a3s h LEU 11 Ca -0.07 0.00 -0.00 0.00 -0.00 0.00 0.00 57.88 57.81 2a3s h LEU 11 Cb 1.63 0.00 -0.00 0.00 -0.00 0.00 0.00 40.66 42.29 2a3s h LEU 11 CO 0.16 0.00 -0.00 0.40 -0.00 0.00 0.00 178.44 178.99 2a3s h ILE 12 N 0.00 1.25 0.07 1.22 1.08 -1.80 -1.53 117.51 117.81 2a3s h ILE 12 Ca 0.11 -1.94 0.01 0.00 -0.39 0.00 0.00 64.86 62.65 2a3s h ILE 12 Cb 0.53 2.37 -0.04 0.00 -3.07 0.00 0.00 36.82 36.61 2a3s h ILE 12 CO -0.00 0.42 -0.38 0.58 -0.69 0.00 0.00 178.15 178.08 2a3s h VAL 13 N -1.00 0.00 -0.23 1.67 2.07 -0.49 2.19 116.25 120.46 2a3s h VAL 13 Ca -0.00 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.59 2a3s h VAL 13 Cb 0.70 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 30.46 2a3s h VAL 13 CO -0.00 0.00 0.20 1.56 0.02 0.00 0.00 177.57 179.35 2a3s h GLN 14 N -0.53 0.00 0.21 1.57 4.20 -1.21 2.32 115.11 121.67 2a3s h GLN 14 Ca -0.00 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.70 2a3s h GLN 14 Cb 0.54 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.32 2a3s h GLN 14 CO -0.22 0.00 -0.10 0.00 -0.67 0.00 0.00 178.83 177.84 2a3s h ALA 15 N 1.81 -0.28 0.00 3.87 0.00 0.11 -2.53 119.26 122.24 2a3s h ALA 15 Ca 0.11 -0.21 -0.13 0.00 0.00 0.00 0.00 54.91 54.68 2a3s h ALA 15 Cb 0.51 0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.39 2a3s h ALA 15 CO -0.00 -0.42 -0.74 0.82 0.00 0.00 0.00 179.25 178.91 2a3s h ILE 16 N -0.76 1.16 -0.98 0.00 2.04 0.43 -3.14 117.51 116.26 2a3s h ILE 16 Ca -0.03 -2.15 0.12 0.00 1.00 0.00 0.00 64.86 63.80 2a3s h ILE 16 Cb 0.51 2.48 -0.08 0.00 -0.74 0.00 0.00 36.82 38.98 2a3s h ILE 16 CO 0.05 0.39 0.62 0.28 0.00 0.00 0.00 178.15 179.49 2a3s h SER 17 N -1.00 0.88 1.34 1.72 0.02 0.37 0.22 113.55 117.10 2a3s h SER 17 Ca -0.20 0.04 0.00 0.00 -0.84 0.00 0.00 61.79 60.79 2a3s h SER 17 Cb 1.12 -0.13 0.00 0.00 0.14 0.00 0.00 62.40 63.53 2a3s h SER 17 CO -0.12 0.47 0.00 -0.24 -1.14 0.00 0.00 176.83 175.80 2a3s n SER 18 N -4.60 0.78 -2.64 3.07 2.88 -0.95 -4.72 113.62 107.43 2a3s n SER 18 Ca 0.18 0.59 0.00 0.00 -1.33 0.00 0.00 58.87 58.32 2a3s n SER 18 Cb 0.37 -0.80 0.00 0.00 -0.75 0.00 0.00 64.21 63.03 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 -1.78 0.00 -1.00 -1.46 0.00 0.77 -4.95 120.51 112.09 2a3s n ALA 19 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.49 2a3s n ALA 19 Cb 0.39 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.84 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 -1.19 0.00 -0.00 0.00 6.02 -1.26 -4.58 117.38 116.37 2a3s n GLN 20 Ca 0.00 0.00 -0.00 0.00 -0.01 0.00 0.00 57.00 56.99 2a3s n GLN 20 Cb 0.00 -0.46 -0.00 0.00 1.02 0.00 0.00 30.24 30.80 2a3s n GLN 20 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 177.06 175.80 2a3s n ASP 21 N 0.00 0.08 0.00 1.08 9.92 -1.26 -4.98 116.55 121.38 2a3s n ASP 21 Ca 0.00 0.24 0.00 0.00 -0.53 0.00 0.00 54.79 54.50 2a3s n ASP 21 Cb 0.00 -0.52 0.00 0.00 -0.64 0.00 0.00 41.12 39.96 2a3s n ASP 21 CO 0.00 0.00 0.00 -2.11 0.13 0.00 0.00 177.20 175.22 2a3s n ARG 22 N -2.37 0.00 -4.51 -1.24 1.85 -1.25 -4.63 116.66 104.50 2a3s n ARG 22 Ca -0.00 0.00 -0.21 0.00 -1.00 0.00 0.00 57.85 56.64 2a3s n ARG 22 Cb 0.01 0.00 -0.15 0.00 -1.05 0.00 0.00 32.46 31.27 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 0.97 -0.00 2.89 -2.07 -1.26 -3.07 119.66 117.13 2a3s s GLN 23 Ca 0.00 -0.48 -0.05 0.00 -1.82 0.00 0.00 55.36 53.02 2a3s s GLN 23 Cb 0.00 -0.94 -0.00 0.00 -1.09 0.00 0.00 33.01 30.97 2a3s s GLN 23 CO 0.00 0.26 0.08 -0.51 -1.32 0.00 0.00 175.29 173.80 2a3s s LEU 24 N -0.40 1.76 0.79 2.60 1.43 -0.19 -4.82 118.68 119.84 2a3s s LEU 24 Ca 0.04 -0.21 -0.12 0.00 -1.03 0.00 0.00 54.13 52.81 2a3s s LEU 24 Cb -0.05 0.45 0.06 0.00 0.03 0.00 0.00 46.19 46.69 2a3s s LEU 24 CO -0.00 -0.29 1.15 0.42 0.23 0.00 0.00 176.35 177.86 2a3s s THR 25 N -1.13 2.53 0.39 5.49 -4.23 -1.26 0.17 115.64 117.60 2a3s s THR 25 Ca -0.12 0.17 0.16 0.00 -1.18 0.00 0.00 61.69 60.72 2a3s s THR 25 Cb -0.07 -3.13 0.37 0.00 1.34 0.00 0.00 72.50 71.01 2a3s s THR 25 CO 0.01 -0.22 1.81 0.25 -0.54 0.00 0.00 174.62 175.92 2a3s h LEU 26 N -0.98 0.49 -3.71 4.79 6.46 -1.94 0.81 115.31 121.23 2a3s h LEU 26 Ca -0.46 0.07 -0.23 0.00 -0.12 0.00 0.00 57.88 57.13 2a3s h LEU 26 Cb 1.30 -0.02 -0.14 0.00 -0.73 0.00 0.00 40.66 41.08 2a3s h LEU 26 CO 0.65 0.15 0.30 -1.20 -0.62 0.00 0.00 178.44 177.71 2a3s n SER 27 N -4.60 4.76 -0.12 1.25 7.64 -1.26 -4.17 113.62 117.12 2a3s n SER 27 Ca 0.23 -3.21 -0.16 0.00 1.01 0.00 0.00 58.87 56.73 2a3s n SER 27 Cb 0.76 -0.75 -0.11 0.00 -1.01 0.00 0.00 64.21 63.09 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 -0.18 -0.36 0.31 0.23 0.00 0.28 -3.49 105.19 101.98 2a3s n GLY 28 Ca 0.42 -0.16 0.03 0.00 0.00 0.00 0.00 46.02 46.31 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 0.00 0.90 0.25 -0.61 -0.00 -1.70 0.97 117.51 117.32 2a3s h ILE 29 Ca -0.54 -0.27 -0.01 0.00 -0.00 0.00 0.00 64.86 64.03 2a3s h ILE 29 Cb 1.85 0.03 0.00 0.00 -0.00 0.00 0.00 36.82 38.71 2a3s h ILE 29 CO -0.08 0.15 -0.12 1.88 -0.00 0.00 0.00 178.15 179.97 2a3s h TYR 30 N 0.80 -0.31 -0.33 2.19 0.05 -1.79 -2.05 116.97 115.52 2a3s h TYR 30 Ca 0.41 -0.01 0.10 0.00 0.05 0.00 0.00 58.73 59.28 2a3s h TYR 30 Cb 0.39 0.10 -0.01 0.00 1.01 0.00 0.00 36.73 38.22 2a3s h TYR 30 CO -0.06 -0.08 0.34 0.00 -1.05 0.00 0.00 178.16 177.31 2a3s h ALA 31 N -0.87 2.05 0.11 3.88 0.00 -1.54 -0.96 119.26 121.93 2a3s h ALA 31 Ca -0.03 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 2a3s h ALA 31 Cb 0.38 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.20 2a3s h ALA 31 CO 0.06 -0.51 -0.05 1.25 0.00 0.00 0.00 179.25 180.00 2a3s h HIS 32 N 0.00 -0.14 -0.80 0.00 -0.00 0.10 -3.32 115.15 111.00 2a3s h HIS 32 Ca 0.16 -0.00 0.18 0.00 -0.00 0.00 0.00 60.37 60.71 2a3s h HIS 32 Cb 0.83 0.05 -0.05 0.00 -0.00 0.00 0.00 27.41 28.23 2a3s h HIS 32 CO 0.00 -0.08 0.54 0.97 -0.00 0.00 0.00 177.93 179.36 2a3s h ILE 33 N -0.97 0.72 0.00 6.26 2.10 -1.06 0.60 117.51 125.16 2a3s h ILE 33 Ca -0.02 -0.11 0.00 0.00 1.08 0.00 0.00 64.86 65.81 2a3s h ILE 33 Cb 0.11 0.37 0.00 0.00 -1.09 0.00 0.00 36.82 36.21 2a3s h ILE 33 CO 0.02 0.06 0.12 0.71 -1.08 0.00 0.00 178.15 177.99 2a3s h THR 34 N 0.32 0.00 0.00 2.19 1.35 -1.27 0.81 112.91 116.31 2a3s h THR 34 Ca 0.40 0.00 -0.06 0.00 -0.55 0.00 0.00 66.41 66.20 2a3s h THR 34 Cb 1.08 0.68 -0.01 0.00 -1.73 0.00 0.00 68.15 68.17 2a3s h THR 34 CO -0.12 0.00 -0.63 0.50 -0.25 0.00 0.00 175.52 175.02 2a3s h LYS 35 N 0.00 0.00 0.00 4.72 3.64 0.10 -3.41 116.57 121.62 2a3s h LYS 35 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 2a3s h LYS 35 Cb 0.25 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.07 2a3s h LYS 35 CO 0.00 0.21 -0.02 0.72 -2.27 0.00 0.00 179.45 178.09 2a3s n HIS 36 N -3.01 0.00 -3.25 1.91 8.25 0.25 -4.94 115.22 114.43 2a3s n HIS 36 Ca 0.00 0.00 -0.39 0.00 -0.26 0.00 0.00 57.72 57.07 2a3s n HIS 36 Cb 0.65 -0.01 -0.06 0.00 1.12 0.00 0.00 29.99 31.69 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 -1.04 3.43 0.14 4.41 2.02 0.67 -4.95 117.35 122.02 2a3s s TYR 37 Ca -0.01 0.85 0.01 0.00 -0.37 0.00 0.00 57.07 57.55 2a3s s TYR 37 Cb 0.00 -2.64 -0.09 0.00 -0.40 0.00 0.00 41.96 38.82 2a3s s TYR 37 CO 0.01 -0.00 1.31 -1.00 -1.57 0.00 0.00 175.55 174.30 2a3s h PRO 38 N 7.17 0.20 -0.63 -1.71 0.13 -1.81 -3.25 132.00 132.10 2a3s h PRO 38 Ca -0.36 -0.25 0.01 0.00 -0.87 0.00 0.00 66.00 64.52 2a3s h PRO 38 Cb 1.16 0.08 -0.03 0.00 0.13 0.00 0.00 31.00 32.34 2a3s h PRO 38 CO 0.75 1.02 0.42 -0.92 -0.23 0.00 0.00 178.00 179.04 2a3s h TYR 39 N 0.10 0.79 -1.89 1.56 5.03 -1.95 -3.30 116.97 117.31 2a3s h TYR 39 Ca -0.06 0.02 -0.71 0.00 2.58 0.00 0.00 58.73 60.56 2a3s h TYR 39 Cb 1.64 -0.27 -0.15 0.00 1.55 0.00 0.00 36.73 39.50 2a3s h TYR 39 CO 0.03 0.49 1.42 0.71 -1.32 0.00 0.00 178.16 179.50 2a3s s TYR 40 N -5.72 3.21 0.09 -3.82 1.51 -1.23 -3.84 117.35 107.56 2a3s s TYR 40 Ca -0.10 -1.79 0.00 0.00 -1.01 0.00 0.00 57.07 54.17 2a3s s TYR 40 Cb 0.18 -4.42 0.00 0.00 -0.11 0.00 0.00 41.96 37.60 2a3s s TYR 40 CO 0.76 -1.54 0.00 -2.13 -1.11 0.00 0.00 175.55 171.54 2a3s n ARG 41 N 6.61 0.00 -2.67 -0.62 0.63 -1.24 -3.78 116.66 115.58 2a3s n ARG 41 Ca 0.36 0.00 -0.01 0.00 -0.92 0.00 0.00 57.85 57.28 2a3s n ARG 41 Cb 0.45 0.00 0.07 0.00 0.45 0.00 0.00 32.46 33.44 2a3s n ARG 41 CO 0.00 0.00 0.00 0.25 -2.51 0.00 0.00 177.63 175.37 2a3s n THR 42 N -2.61 0.72 -0.12 5.15 -2.24 -1.26 -4.91 114.28 109.02 2a3s n THR 42 Ca 0.00 -2.06 -0.16 0.00 -2.27 0.00 0.00 64.05 59.55 2a3s n THR 42 Cb 0.00 1.16 -0.11 0.00 -2.10 0.00 0.00 70.33 69.28 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 -0.89 1.49 -3.52 6.98 0.00 -1.25 -5.05 120.51 118.27 2a3s n ALA 43 Ca -0.03 -1.01 -0.15 0.00 0.00 0.00 0.00 53.44 52.24 2a3s n ALA 43 Cb 0.84 -0.05 -0.05 0.00 0.00 0.00 0.00 19.45 20.19 2a3s n ALA 43 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 2a3s s ASP 44 N -6.30 -0.57 -0.27 0.00 -1.08 -1.26 -4.90 116.67 102.29 2a3s s ASP 44 Ca -0.32 0.55 0.01 0.00 -0.52 0.00 0.00 52.55 52.27 2a3s s ASP 44 Cb 0.08 0.48 0.31 0.00 -1.46 0.00 0.00 42.92 42.33 2a3s s ASP 44 CO 0.55 -0.58 1.65 2.29 0.52 0.00 0.00 175.17 179.59 2a3s n LYS 45 N 0.71 1.71 -0.01 4.34 2.85 -1.26 -4.46 118.16 122.04 2a3s n LYS 45 Ca -0.16 -1.58 -0.00 0.00 -1.05 0.00 0.00 58.31 55.52 2a3s n LYS 45 Cb 0.58 -1.62 -0.00 0.00 -0.65 0.00 0.00 35.03 33.34 2a3s n LYS 45 CO 0.00 0.00 0.00 0.78 -0.05 0.00 0.00 177.40 178.13 2a3s h GLY 46 N 2.48 0.00 1.89 2.58 0.00 -1.95 -3.34 103.07 104.72 2a3s h GLY 46 Ca 0.32 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.65 2a3s h GLY 46 CO 0.65 0.00 0.05 0.11 0.00 0.00 0.00 176.54 177.34 2a3s h TRP 47 N -0.15 0.00 0.00 5.60 5.08 -1.97 -1.97 115.95 122.54 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 0.01 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.17 2a3s h TRP 47 CO -0.01 0.00 0.00 1.04 -1.28 0.00 0.00 178.44 178.19 2a3s n GLN 48 N -2.59 0.00 0.20 0.12 1.13 -1.25 -0.42 117.38 114.57 2a3s n GLN 48 Ca -0.02 0.54 0.14 0.00 -1.94 0.00 0.00 57.00 55.72 2a3s n GLN 48 Cb 0.10 -1.43 0.54 0.00 0.11 0.00 0.00 30.24 29.55 2a3s n GLN 48 CO 0.00 0.00 0.00 -2.95 -1.44 0.00 0.00 177.06 172.67 2a3s h ASN 49 N 0.00 0.00 -0.26 1.08 7.08 -1.69 -3.08 115.58 118.71 2a3s h ASN 49 Ca 0.00 0.00 -0.09 0.00 -3.08 0.00 0.00 56.30 53.13 2a3s h ASN 49 Cb 0.00 0.00 -0.01 0.00 -2.08 0.00 0.00 38.32 36.23 2a3s h ASN 49 CO 0.00 0.00 -0.19 -1.28 -2.08 0.00 0.00 177.43 173.88 2a3s h SER 50 N 0.00 0.62 0.22 6.14 0.87 -1.06 -2.43 113.55 117.91 2a3s h SER 50 Ca 0.00 -0.44 -0.01 0.00 -1.23 0.00 0.00 61.79 60.11 2a3s h SER 50 Cb 0.54 -0.17 -0.01 0.00 -0.44 0.00 0.00 62.40 62.31 2a3s h SER 50 CO 0.00 0.93 -0.25 0.40 -0.53 0.00 0.00 176.83 177.38 2a3s h ILE 51 N 0.31 0.00 -1.06 2.23 5.03 -0.65 2.16 117.51 125.53 2a3s h ILE 51 Ca 0.05 0.00 0.29 0.00 -0.12 0.00 0.00 64.86 65.08 2a3s h ILE 51 Cb 0.72 0.00 -0.08 0.00 -3.03 0.00 0.00 36.82 34.44 2a3s h ILE 51 CO 0.05 0.00 0.71 0.08 -0.68 0.00 0.00 178.15 178.32 2a3s h ARG 52 N -0.47 0.24 -0.04 2.37 0.11 -1.66 1.58 114.38 116.51 2a3s h ARG 52 Ca -0.03 -0.01 -0.23 0.00 0.10 0.00 0.00 59.98 59.81 2a3s h ARG 52 Cb 0.42 -0.05 0.01 0.00 1.11 0.00 0.00 29.97 31.45 2a3s h ARG 52 CO -0.04 0.16 -0.91 1.25 0.10 0.00 0.00 179.97 180.53 2a3s h HIS 53 N 0.25 0.80 -0.32 4.08 2.76 -0.64 -3.08 115.15 118.99 2a3s h HIS 53 Ca 0.57 -0.41 -0.17 0.00 -2.20 0.00 0.00 60.37 58.16 2a3s h HIS 53 Cb 1.73 -0.10 -0.00 0.00 1.55 0.00 0.00 27.41 30.58 2a3s h HIS 53 CO -0.00 1.22 -0.48 -0.91 -1.30 0.00 0.00 177.93 176.47 2a3s h ASN 54 N 0.34 0.96 -0.01 3.26 2.35 1.14 -2.41 115.58 121.21 2a3s h ASN 54 Ca -0.08 -0.48 0.00 0.00 -0.55 0.00 0.00 56.30 55.19 2a3s h ASN 54 Cb 1.53 -0.27 -0.00 0.00 0.05 0.00 0.00 38.32 39.63 2a3s h ASN 54 CO 0.17 1.28 0.11 -0.07 -1.65 0.00 0.00 177.43 177.26 2a3s h LEU 55 N 0.70 0.00 0.00 1.61 3.38 0.18 1.25 115.31 122.42 2a3s h LEU 55 Ca 0.03 0.00 -0.19 0.00 0.09 0.00 0.00 57.88 57.81 2a3s h LEU 55 Cb 1.07 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.80 2a3s h LEU 55 CO 0.11 0.00 -1.08 0.77 0.09 0.00 0.00 178.44 178.33 2a3s h SER 56 N 0.00 0.00 1.16 -0.43 4.64 -1.36 -3.38 113.55 114.18 2a3s h SER 56 Ca 0.01 -0.54 -0.11 0.00 -0.47 0.00 0.00 61.79 60.68 2a3s h SER 56 Cb 0.22 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.29 2a3s h SER 56 CO -0.00 1.40 -0.50 0.17 -0.87 0.00 0.00 176.83 177.03 2a3s h LEU 57 N -1.00 0.00 -9.51 5.97 8.10 -1.01 -3.45 115.31 114.41 2a3s h LEU 57 Ca -0.29 0.00 -0.60 0.00 0.11 0.00 0.00 57.88 57.10 2a3s h LEU 57 Cb 1.23 0.00 0.13 0.00 -0.44 0.00 0.00 40.66 41.58 2a3s h LEU 57 CO -0.18 0.50 0.02 0.59 -4.11 0.00 0.00 178.44 175.26 2a3s n ASN 58 N -3.37 0.77 -0.00 0.17 5.03 0.42 -4.86 115.26 113.42 2a3s n ASN 58 Ca 0.01 1.06 0.12 0.00 0.87 0.00 0.00 54.58 56.64 2a3s n ASN 58 Cb 0.66 -1.27 0.24 0.00 -1.02 0.00 0.00 39.78 38.39 2a3s n ASN 58 CO 0.00 0.00 0.00 -2.11 -1.83 0.00 0.00 177.26 173.32 2a3s n ARG 59 N 0.44 0.00 -0.78 3.52 1.85 -1.26 -4.07 116.66 116.37 2a3s n ARG 59 Ca 0.10 -0.00 0.05 0.00 -1.00 0.00 0.00 57.85 57.00 2a3s n ARG 59 Cb 0.36 -1.50 0.18 0.00 -1.05 0.00 0.00 32.46 30.45 2a3s n ARG 59 CO 0.00 0.00 0.00 2.48 -0.01 0.00 0.00 177.63 180.10 2a3s n TYR 60 N -1.50 0.08 -4.41 2.89 0.18 -1.26 -4.96 117.16 108.19 2a3s n TYR 60 Ca 0.05 -1.38 -0.21 0.00 1.88 0.00 0.00 57.90 58.24 2a3s n TYR 60 Cb 0.33 -0.24 -0.16 0.00 -0.38 0.00 0.00 39.34 38.90 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 -2.79 1.05 0.33 -3.48 0.08 -1.26 -1.02 117.98 110.89 2a3s s PHE 61 Ca 0.38 -0.30 0.05 0.00 0.12 0.00 0.00 56.93 57.18 2a3s s PHE 61 Cb 0.37 -0.78 -0.02 0.00 -0.57 0.00 0.00 43.02 42.02 2a3s s PHE 61 CO -0.08 -0.16 0.32 0.44 -0.10 0.00 0.00 175.22 175.64 2a3s n ILE 62 N 3.54 0.00 -4.48 0.64 -5.35 0.63 -4.84 119.36 109.50 2a3s n ILE 62 Ca -0.21 -2.20 -0.23 0.00 -0.27 0.00 0.00 62.75 59.84 2a3s n ILE 62 Cb 0.53 1.15 -0.10 0.00 -1.74 0.00 0.00 39.64 39.48 2a3s n ILE 62 CO 0.00 0.00 0.00 -1.59 -1.76 0.00 0.00 176.55 173.20 2a3s s LYS 63 N -3.18 1.75 0.09 6.28 -2.85 -1.26 0.17 119.74 120.75 2a3s s LYS 63 Ca 0.36 -2.01 -0.31 0.00 -1.00 0.00 0.00 55.97 53.01 2a3s s LYS 63 Cb 0.01 -0.82 -0.09 0.00 -2.06 0.00 0.00 37.83 34.87 2a3s s LYS 63 CO 0.26 -0.28 1.69 0.14 0.10 0.00 0.00 175.35 177.25 2a3s s VAL 64 N -3.26 2.86 -0.01 1.79 -7.23 -1.14 -4.87 120.40 108.55 2a3s s VAL 64 Ca 0.31 0.37 -0.00 0.00 -1.81 0.00 0.00 61.98 60.86 2a3s s VAL 64 Cb 0.07 -3.24 -0.00 0.00 0.56 0.00 0.00 36.38 33.77 2a3s s VAL 64 CO 0.15 0.00 0.06 1.55 -0.31 0.00 0.00 175.10 176.55 2a3s h PRO 65 N 8.20 -0.01 -5.53 4.82 0.13 -1.98 -3.42 132.00 134.21 2a3s h PRO 65 Ca -0.43 0.00 -0.34 0.00 -0.87 0.00 0.00 66.00 64.36 2a3s h PRO 65 Cb 1.21 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.34 2a3s h PRO 65 CO 0.93 -0.00 1.22 -2.13 -0.23 0.00 0.00 178.00 177.79 2a3s n ARG 66 N -2.22 0.90 -2.19 0.86 0.63 -1.26 -4.92 116.66 108.45 2a3s n ARG 66 Ca -0.00 -0.23 -0.27 0.00 -0.92 0.00 0.00 57.85 56.43 2a3s n ARG 66 Cb 0.00 -3.49 0.11 0.00 0.45 0.00 0.00 32.46 29.53 2a3s n ARG 66 CO 0.00 0.00 0.00 -1.54 -2.51 0.00 0.00 177.63 173.58 2a3s s SER 67 N 11.86 4.23 0.29 6.15 1.04 -1.26 -5.08 113.70 130.92 2a3s s SER 67 Ca 0.97 0.25 0.04 0.00 0.48 0.00 0.00 55.95 57.70 2a3s s SER 67 Cb -0.18 -0.67 -0.03 0.00 0.10 0.00 0.00 66.02 65.25 2a3s s SER 67 CO 0.22 -1.98 0.43 -1.58 0.98 0.00 0.00 173.24 171.30 2a3s s GLN 68 N -5.42 3.39 -1.02 4.02 0.74 -1.26 -5.01 119.66 115.09 2a3s s GLN 68 Ca 0.65 -0.69 -0.02 0.00 0.05 0.00 0.00 55.36 55.35 2a3s s GLN 68 Cb -0.08 -2.82 0.29 0.00 1.10 0.00 0.00 33.01 31.51 2a3s s GLN 68 CO 0.47 0.29 1.95 0.39 -0.55 0.00 0.00 175.29 177.84 2a3s n GLU 69 N -1.55 4.86 -4.46 1.67 1.02 -1.26 -4.96 120.64 115.96 2a3s n GLU 69 Ca -0.06 -4.29 -0.22 0.00 -0.02 0.00 0.00 57.16 52.56 2a3s n GLU 69 Cb 0.57 -2.45 -0.10 0.00 -0.02 0.00 0.00 31.44 29.44 2a3s n GLU 69 CO 0.00 0.00 0.00 -1.21 1.18 0.00 0.00 177.13 177.10 2a3s s GLU 70 N -3.87 1.62 0.00 3.49 0.41 -1.26 -5.01 118.70 114.08 2a3s s GLU 70 Ca 0.43 -1.81 0.08 0.00 -0.41 0.00 0.00 54.97 53.26 2a3s s GLU 70 Cb 0.23 -1.35 0.48 0.00 -1.78 0.00 0.00 34.13 31.71 2a3s s GLU 70 CO -0.17 0.10 1.24 -0.35 -0.49 0.00 0.00 175.26 175.59 2a3s n PRO 71 N -0.63 0.93 -3.76 0.39 -0.04 -1.26 -4.43 135.00 126.21 2a3s n PRO 71 Ca -0.05 0.00 -0.34 0.00 -0.04 0.00 0.00 63.50 63.06 2a3s n PRO 71 Cb 0.63 -1.13 -0.10 0.00 -0.04 0.00 0.00 33.50 32.86 2a3s n PRO 71 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 2a3s s GLY 72 N -1.32 2.71 0.27 0.55 0.00 -1.26 -5.07 107.32 103.20 2a3s s GLY 72 Ca 0.12 -3.50 -0.30 0.00 0.00 0.00 0.00 44.72 41.03 2a3s s GLY 72 CO 0.09 1.11 1.59 0.54 0.00 0.00 0.00 173.10 176.44 2a3s s LYS 73 N -0.63 4.14 -0.18 2.90 1.02 -1.26 -4.99 119.74 120.75 2a3s s LYS 73 Ca 0.21 2.54 0.00 0.00 0.02 0.00 0.00 55.97 58.73 2a3s s LYS 73 Cb -0.16 -3.05 0.04 0.00 -0.52 0.00 0.00 37.83 34.15 2a3s s LYS 73 CO -0.07 -0.62 -0.07 0.20 -0.92 0.00 0.00 175.35 173.86 2a3s s GLY 74 N 0.62 1.07 -0.31 -3.33 0.00 -1.26 -5.10 107.32 99.01 2a3s s GLY 74 Ca 0.65 -0.96 -0.20 0.00 0.00 0.00 0.00 44.72 44.21 2a3s s GLY 74 CO 0.44 0.83 0.61 -1.35 0.00 0.00 0.00 173.10 173.63 2a3s s SER 75 N 1.54 6.47 -0.18 1.64 1.04 -1.26 -5.03 113.70 117.92 2a3s s SER 75 Ca 0.00 0.36 0.00 0.00 0.48 0.00 0.00 55.95 56.80 2a3s s SER 75 Cb -0.15 -2.32 0.04 0.00 0.10 0.00 0.00 66.02 63.69 2a3s s SER 75 CO -0.08 -0.48 -0.09 0.12 0.98 0.00 0.00 173.24 173.70 2a3s s PHE 76 N 2.58 2.11 0.63 5.02 2.19 -1.26 -3.53 117.98 125.72 2a3s s PHE 76 Ca 0.24 -1.35 -0.11 0.00 0.33 0.00 0.00 56.93 56.04 2a3s s PHE 76 Cb -0.15 -1.51 -0.03 0.00 -1.31 0.00 0.00 43.02 40.02 2a3s s PHE 76 CO 0.12 -0.69 1.04 -1.58 1.83 0.00 0.00 175.22 175.94 2a3s s TRP 77 N 1.50 3.59 -0.19 10.12 0.52 0.44 -2.87 118.94 132.05 2a3s s TRP 77 Ca 0.00 1.27 -0.27 0.00 0.02 0.00 0.00 56.10 57.12 2a3s s TRP 77 Cb -0.15 -2.76 0.07 0.00 -1.15 0.00 0.00 33.47 29.48 2a3s s TRP 77 CO -0.08 -0.75 0.71 0.50 0.02 0.00 0.00 176.95 177.35 2a3s s ARG 78 N -5.20 0.91 0.32 4.98 3.52 0.45 -1.02 118.95 122.91 2a3s s ARG 78 Ca 0.55 0.71 -0.04 0.00 -0.13 0.00 0.00 55.73 56.83 2a3s s ARG 78 Cb -0.11 0.44 -0.05 0.00 -1.56 0.00 0.00 34.95 33.67 2a3s s ARG 78 CO 0.54 -0.18 0.57 0.96 -0.81 0.00 0.00 175.30 176.38 2a3s s ILE 79 N -0.21 5.03 0.47 4.11 -4.36 -1.17 0.23 121.20 125.30 2a3s s ILE 79 Ca -0.04 -0.02 -0.25 0.00 -0.26 0.00 0.00 60.65 60.08 2a3s s ILE 79 Cb -0.03 -3.77 -0.08 0.00 1.25 0.00 0.00 42.46 39.84 2a3s s ILE 79 CO 0.04 -0.41 1.42 0.47 0.24 0.00 0.00 174.94 176.71 2a3s n ASP 80 N -1.19 3.20 0.10 4.36 9.92 -0.19 -4.74 116.55 128.01 2a3s n ASP 80 Ca -0.02 1.09 -0.23 0.00 -0.53 0.00 0.00 54.79 55.10 2a3s n ASP 80 Cb 0.54 -1.60 -0.14 0.00 -0.64 0.00 0.00 41.12 39.29 2a3s n ASP 80 CO 0.00 0.00 0.00 1.55 0.13 0.00 0.00 177.20 178.88 2a3s h PRO 81 N 2.11 0.62 -0.00 -0.24 0.13 -1.96 -1.01 132.00 131.65 2a3s h PRO 81 Ca -0.51 -0.86 0.00 0.00 -0.87 0.00 0.00 66.00 63.76 2a3s h PRO 81 Cb 1.28 0.29 0.00 0.00 0.13 0.00 0.00 31.00 32.70 2a3s h PRO 81 CO 0.60 1.40 -0.03 0.00 -0.23 0.00 0.00 178.00 179.73 2a3s n ALA 82 N -2.69 2.66 0.23 -0.56 0.00 -1.26 -3.02 120.51 115.87 2a3s n ALA 82 Ca -0.14 -0.24 0.02 0.00 0.00 0.00 0.00 53.44 53.08 2a3s n ALA 82 Cb 1.01 -1.41 -0.02 0.00 0.00 0.00 0.00 19.45 19.03 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 -0.88 0.48 0.26 0.00 7.64 -1.21 -4.63 113.62 115.28 2a3s n SER 83 Ca 0.19 -0.74 -0.16 0.00 1.01 0.00 0.00 58.87 59.17 2a3s n SER 83 Cb 0.22 0.80 -0.08 0.00 -1.01 0.00 0.00 64.21 64.13 2a3s n SER 83 CO 0.00 0.00 0.00 -0.08 -3.01 0.00 0.00 175.04 171.95 2a3s h GLU 84 N 0.22 -0.71 0.00 1.43 4.81 -1.09 2.03 114.58 121.27 2a3s h GLU 84 Ca 0.00 0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.28 2a3s h GLU 84 Cb 0.14 0.16 0.00 0.00 0.63 0.00 0.00 28.75 29.68 2a3s h GLU 84 CO 0.00 -0.47 0.03 0.00 -0.73 0.00 0.00 179.01 177.83 2a3s h ALA 85 N -0.27 1.02 0.00 2.92 0.00 -1.83 -1.30 119.26 119.80 2a3s h ALA 85 Ca -0.05 0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.83 2a3s h ALA 85 Cb 0.62 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.41 2a3s h ALA 85 CO 0.02 -0.02 -0.70 1.17 0.00 0.00 0.00 179.25 179.72 2a3s n LYS 86 N -2.38 0.48 0.15 0.00 3.00 0.78 -3.99 118.16 116.20 2a3s n LYS 86 Ca -0.02 0.48 -0.17 0.00 -0.00 0.00 0.00 58.31 58.60 2a3s n LYS 86 Cb 0.07 -1.65 -0.10 0.00 0.00 0.00 0.00 35.03 33.35 2a3s n LYS 86 CO 0.00 0.00 0.00 1.37 0.00 0.00 0.00 177.40 178.77 2a3s h LEU 87 N -1.00 -1.53 -1.86 3.14 -0.00 0.34 0.55 115.31 114.94 2a3s h LEU 87 Ca -0.05 0.15 0.53 0.00 -0.00 0.00 0.00 57.88 58.51 2a3s h LEU 87 Cb 0.69 0.55 -0.09 0.00 -0.00 0.00 0.00 40.66 41.81 2a3s h LEU 87 CO -0.03 -0.58 1.25 -0.37 -0.00 0.00 0.00 178.44 178.71 2a3s h VAL 88 N -0.80 0.05 -0.92 0.15 -1.51 -1.44 0.77 116.25 112.55 2a3s h VAL 88 Ca -0.02 -0.00 0.14 0.00 -1.23 0.00 0.00 66.70 65.58 2a3s h VAL 88 Cb 0.77 0.04 -0.09 0.00 -2.13 0.00 0.00 31.29 29.89 2a3s h VAL 88 CO -0.24 0.00 0.54 -0.08 -1.23 0.00 0.00 177.57 176.56 2a3s h GLU 89 N 0.01 0.78 0.00 5.19 4.81 -1.01 0.33 114.58 124.69 2a3s h GLU 89 Ca 0.89 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 60.07 2a3s h GLU 89 Cb 3.40 -0.18 0.00 0.00 0.63 0.00 0.00 28.75 32.61 2a3s h GLU 89 CO -0.11 0.52 -0.71 0.00 -0.73 0.00 0.00 179.01 177.97 2a3s n GLN 90 N -4.75 0.20 -0.14 1.92 10.64 0.26 -3.69 117.38 121.83 2a3s n GLN 90 Ca 0.18 0.03 -0.04 0.00 -1.83 0.00 0.00 57.00 55.34 2a3s n GLN 90 Cb 0.41 -1.60 0.04 0.00 -0.86 0.00 0.00 30.24 28.23 2a3s n GLN 90 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 2a3s h ALA 91 N 2.67 0.52 0.00 2.61 0.00 0.49 -1.88 119.26 123.67 2a3s h ALA 91 Ca 0.00 0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.97 2a3s h ALA 91 Cb 0.67 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.50 2a3s h ALA 91 CO 0.00 -0.25 -0.57 1.19 0.00 0.00 0.00 179.25 179.62 2a3s n PHE 92 N -5.03 0.11 -2.30 0.00 3.72 -1.11 -4.82 117.46 108.03 2a3s n PHE 92 Ca 0.04 0.03 -0.37 0.00 -0.05 0.00 0.00 57.45 57.10 2a3s n PHE 92 Cb 0.18 -0.32 -0.01 0.00 -0.94 0.00 0.00 39.48 38.38 2a3s n PHE 92 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 176.76 177.74 2a3s s ARG 93 N -3.04 3.79 -0.03 -1.08 1.81 -0.71 -5.04 118.95 114.65 2a3s s ARG 93 Ca 0.10 1.72 -0.02 0.00 -1.72 0.00 0.00 55.73 55.81 2a3s s ARG 93 Cb 0.17 -2.40 0.02 0.00 -0.45 0.00 0.00 34.95 32.29 2a3s s ARG 93 CO 0.72 -0.51 0.07 0.21 -0.68 0.00 0.00 175.30 175.11 2a3s s LYS 94 N -2.71 0.04 0.32 3.54 2.20 -1.26 -4.97 119.74 116.90 2a3s s LYS 94 Ca 0.63 0.19 -0.28 0.00 -0.36 0.00 0.00 55.97 56.15 2a3s s LYS 94 Cb -0.27 -0.10 -0.09 0.00 -1.51 0.00 0.00 37.83 35.85 2a3s s LYS 94 CO 0.33 -0.10 1.09 1.03 -0.36 0.00 0.00 175.35 177.34 2a3s s ARG 95 N 0.63 4.50 -0.24 4.03 0.52 -1.26 -5.03 118.95 122.09 2a3s s ARG 95 Ca -0.05 1.72 -0.26 0.00 -0.52 0.00 0.00 55.73 56.62 2a3s s ARG 95 Cb -0.07 -3.00 0.10 0.00 0.52 0.00 0.00 34.95 32.50 2a3s s ARG 95 CO -0.02 0.10 0.90 -0.98 0.02 0.00 0.00 175.30 175.32 2a3s s ARG 96 N -1.75 0.67 -0.10 3.54 1.70 -1.26 -5.06 118.95 116.69 2a3s s ARG 96 Ca 0.48 0.62 -0.27 0.00 -0.47 0.00 0.00 55.73 56.09 2a3s s ARG 96 Cb -0.29 0.33 -0.26 0.00 -0.57 0.00 0.00 34.95 34.16 2a3s s ARG 96 CO 0.37 -0.12 0.87 1.96 -1.08 0.00 0.00 175.30 177.31 2a3s h GLN 97 N 4.08 0.06 -3.18 3.89 4.20 -2.08 -3.48 115.11 118.60 2a3s h GLN 97 Ca -0.27 -0.08 -0.04 0.00 0.06 0.00 0.00 58.65 58.32 2a3s h GLN 97 Cb 1.17 0.03 -0.13 0.00 0.30 0.00 0.00 27.48 28.85 2a3s h GLN 97 CO 0.15 0.96 0.06 1.03 -0.67 0.00 0.00 178.83 180.36 2a3s s ARG 98 N -2.59 1.16 0.00 1.46 0.52 -1.26 -5.16 118.95 113.08 2a3s s ARG 98 Ca -0.18 -0.57 0.00 0.00 -0.52 0.00 0.00 55.73 54.46 2a3s s ARG 98 Cb -0.02 0.52 0.00 0.00 0.52 0.00 0.00 34.95 35.98 2a3s s ARG 98 CO 0.71 -0.48 0.00 0.41 0.02 0.00 0.00 175.30 175.96 2a3s n GLY 99 N -0.25 1.64 3.57 -3.53 0.00 -1.26 -4.96 105.19 100.39 2a3s n GLY 99 Ca -0.17 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.43 2a3s n GLY 99 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2a3s s VAL 100 N 2.97 4.05 0.00 1.61 1.01 -1.26 -5.30 120.40 123.48 2a3s s VAL 100 Ca 0.00 -1.38 0.00 0.00 0.00 0.00 0.00 61.98 60.60 2a3s s VAL 100 Cb 0.00 -5.12 0.00 0.00 0.00 0.00 0.00 36.38 31.26 2a3s s VAL 100 CO 0.00 -1.97 0.00 -0.24 0.00 0.00 0.00 175.10 172.89