#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2a3s n SER 2 N 0.00 0.00 -3.87 1.62 3.41 -1.26 -5.06 113.62 108.46 2a3s n SER 2 Ca 0.00 0.00 -0.29 0.00 -0.26 0.00 0.00 58.87 58.32 2a3s n SER 2 Cb 0.00 0.00 -0.13 0.00 -0.26 0.00 0.00 64.21 63.82 2a3s n SER 2 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 2a3s s LYS 3 N 0.18 1.96 -0.28 4.33 3.01 -1.26 -4.95 119.74 122.73 2a3s s LYS 3 Ca 0.00 -2.71 0.06 0.00 -1.01 0.00 0.00 55.97 52.31 2a3s s LYS 3 Cb 0.00 -3.11 0.57 0.00 -1.01 0.00 0.00 37.83 34.28 2a3s s LYS 3 CO 0.00 -1.18 1.61 -0.35 0.51 0.00 0.00 175.35 175.94 2a3s n PRO 4 N 2.84 2.85 -1.61 -1.68 -0.04 -1.26 -5.00 135.00 131.11 2a3s n PRO 4 Ca 0.11 -2.38 -0.30 0.00 -0.04 0.00 0.00 63.50 60.89 2a3s n PRO 4 Cb 0.34 -1.99 0.22 0.00 -0.04 0.00 0.00 33.50 32.03 2a3s n PRO 4 CO 0.00 0.00 0.00 -1.25 -0.04 0.00 0.00 175.50 174.21 2a3s s PRO 5 N -2.47 -0.36 0.56 0.54 0.04 -1.26 -4.74 135.00 127.31 2a3s s PRO 5 Ca 0.43 -0.39 -0.07 0.00 0.04 0.00 0.00 61.00 61.01 2a3s s PRO 5 Cb 0.35 -1.73 -0.02 0.00 0.04 0.00 0.00 34.50 33.14 2a3s s PRO 5 CO 0.10 -3.08 0.89 0.71 0.04 0.00 0.00 177.00 175.66 2a3s s TYR 6 N -3.60 3.45 0.82 0.56 2.02 -1.26 -4.63 117.35 114.71 2a3s s TYR 6 Ca 0.75 0.86 -0.15 0.00 -0.37 0.00 0.00 57.07 58.15 2a3s s TYR 6 Cb -0.04 -2.58 -0.04 0.00 -0.40 0.00 0.00 41.96 38.90 2a3s s TYR 6 CO 0.54 -0.61 0.27 0.43 -1.57 0.00 0.00 175.55 174.62 2a3s n SER 7 N -2.52 -2.28 0.00 2.29 7.64 -1.26 -4.24 113.62 113.26 2a3s n SER 7 Ca 0.03 0.46 0.09 0.00 1.01 0.00 0.00 58.87 60.46 2a3s n SER 7 Cb 0.56 -1.13 0.52 0.00 -1.01 0.00 0.00 64.21 63.15 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 -2.73 0.00 -0.02 1.43 4.01 -1.26 0.22 117.16 118.80 2a3s n TYR 8 Ca 0.07 0.00 -0.01 0.00 -0.16 0.00 0.00 57.90 57.81 2a3s n TYR 8 Cb 0.52 -0.11 -0.06 0.00 -0.31 0.00 0.00 39.34 39.37 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 -1.11 2.00 -0.03 -0.72 0.00 -1.26 -4.19 120.51 115.20 2a3s n ALA 9 Ca 0.12 -0.38 -0.13 0.00 0.00 0.00 0.00 53.44 53.05 2a3s n ALA 9 Cb 0.10 -0.05 -0.14 0.00 0.00 0.00 0.00 19.45 19.35 2a3s n ALA 9 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 2a3s n GLN 10 N -2.09 0.68 -0.32 0.00 0.00 -0.95 -3.73 117.38 110.97 2a3s n GLN 10 Ca -0.08 0.24 -0.04 0.00 -0.00 0.00 0.00 57.00 57.12 2a3s n GLN 10 Cb 0.54 -1.72 0.08 0.00 0.00 0.00 0.00 30.24 29.14 2a3s n GLN 10 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.06 178.31 2a3s h LEU 11 N 0.02 1.06 -0.12 1.69 5.85 0.24 -2.71 115.31 121.34 2a3s h LEU 11 Ca -0.37 -0.09 -0.00 0.00 0.84 0.00 0.00 57.88 58.26 2a3s h LEU 11 Cb 2.04 -0.27 -0.01 0.00 0.37 0.00 0.00 40.66 42.80 2a3s h LEU 11 CO 0.07 0.84 0.06 0.40 -0.34 0.00 0.00 178.44 179.47 2a3s h ILE 12 N 1.19 1.09 -0.42 4.05 1.08 -1.73 -1.97 117.51 120.81 2a3s h ILE 12 Ca 0.31 -0.26 0.09 0.00 -0.39 0.00 0.00 64.86 64.61 2a3s h ILE 12 Cb -0.00 1.05 -0.09 0.00 -3.07 0.00 0.00 36.82 34.71 2a3s h ILE 12 CO -0.05 0.08 -0.20 0.58 -0.69 0.00 0.00 178.15 177.87 2a3s h VAL 13 N 0.09 0.41 0.00 1.67 2.07 -1.57 1.69 116.25 120.62 2a3s h VAL 13 Ca 0.04 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.56 2a3s h VAL 13 Cb 0.08 0.41 -0.00 0.00 -1.52 0.00 0.00 31.29 30.25 2a3s h VAL 13 CO -0.01 0.00 -0.01 1.56 0.02 0.00 0.00 177.57 179.13 2a3s h GLN 14 N -0.11 0.00 0.00 1.57 4.20 -1.37 0.77 115.11 120.16 2a3s h GLN 14 Ca 0.21 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.92 2a3s h GLN 14 Cb 0.43 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.21 2a3s h GLN 14 CO -0.50 0.01 0.00 0.00 -0.67 0.00 0.00 178.83 177.67 2a3s n ALA 15 N -2.11 -0.25 0.20 3.87 0.00 0.56 -2.77 120.51 120.02 2a3s n ALA 15 Ca -0.02 0.00 0.08 0.00 0.00 0.00 0.00 53.44 53.50 2a3s n ALA 15 Cb 0.16 0.00 0.38 0.00 0.00 0.00 0.00 19.45 19.99 2a3s n ALA 15 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 177.50 176.66 2a3s h ILE 16 N 0.00 0.71 0.00 0.00 -0.00 -1.07 -2.12 117.51 115.03 2a3s h ILE 16 Ca 0.00 -1.35 0.00 0.00 -0.00 0.00 0.00 64.86 63.51 2a3s h ILE 16 Cb 0.00 1.87 0.00 0.00 -0.00 0.00 0.00 36.82 38.69 2a3s h ILE 16 CO 0.00 0.30 0.00 0.28 -0.00 0.00 0.00 178.15 178.73 2a3s h SER 17 N 0.00 0.00 0.09 2.16 0.02 0.45 0.31 113.55 116.58 2a3s h SER 17 Ca -0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2a3s h SER 17 Cb 0.85 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.39 2a3s h SER 17 CO 0.04 0.00 -0.77 -1.54 -1.14 0.00 0.00 176.83 173.42 2a3s n SER 18 N -2.31 1.12 -4.75 3.07 3.41 -0.80 -4.88 113.62 108.48 2a3s n SER 18 Ca -0.00 -0.97 -0.37 0.00 -0.26 0.00 0.00 58.87 57.27 2a3s n SER 18 Cb 0.11 0.72 -0.07 0.00 -0.26 0.00 0.00 64.21 64.71 2a3s n SER 18 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2a3s s ALA 19 N -2.87 3.59 0.23 7.33 0.00 0.11 -4.96 121.76 125.19 2a3s s ALA 19 Ca 0.11 -0.37 -0.15 0.00 0.00 0.00 0.00 51.96 51.55 2a3s s ALA 19 Cb 0.17 -2.43 0.27 0.00 0.00 0.00 0.00 23.12 21.13 2a3s s ALA 19 CO 0.76 0.15 1.57 -0.56 0.00 0.00 0.00 175.76 177.68 2a3s h GLN 20 N 6.34 -0.04 -5.43 0.00 3.07 -1.90 -3.22 115.11 113.93 2a3s h GLN 20 Ca -0.43 0.00 -0.64 0.00 0.09 0.00 0.00 58.65 57.67 2a3s h GLN 20 Cb 1.18 0.01 -0.14 0.00 0.08 0.00 0.00 27.48 28.60 2a3s h GLN 20 CO 0.73 -0.02 0.12 -0.51 0.09 0.00 0.00 178.83 179.24 2a3s s ASP 21 N -5.28 6.37 -0.25 0.06 1.01 -1.26 -4.93 116.67 112.38 2a3s s ASP 21 Ca -0.14 -0.11 -0.29 0.00 0.71 0.00 0.00 52.55 52.71 2a3s s ASP 21 Cb 0.21 -2.32 -0.34 0.00 1.01 0.00 0.00 42.92 41.48 2a3s s ASP 21 CO 0.73 -0.68 1.69 0.54 0.21 0.00 0.00 175.17 177.66 2a3s n ARG 22 N 6.14 0.02 -3.52 8.23 1.74 -1.22 -4.65 116.66 123.40 2a3s n ARG 22 Ca -0.02 -1.14 0.00 0.00 -0.77 0.00 0.00 57.85 55.92 2a3s n ARG 22 Cb 0.48 -2.81 -0.03 0.00 -1.02 0.00 0.00 32.46 29.08 2a3s n ARG 22 CO 0.00 0.00 0.00 1.14 -1.52 0.00 0.00 177.63 177.25 2a3s s GLN 23 N 7.29 0.53 0.07 5.56 -2.07 -1.26 -2.92 119.66 126.85 2a3s s GLN 23 Ca 0.71 1.25 0.09 0.00 -1.82 0.00 0.00 55.36 55.58 2a3s s GLN 23 Cb 0.10 0.75 -0.03 0.00 -1.09 0.00 0.00 33.01 32.74 2a3s s GLN 23 CO 0.31 -0.25 -0.23 -0.51 -1.32 0.00 0.00 175.29 173.29 2a3s s LEU 24 N 2.83 2.22 0.76 2.60 1.43 -0.26 -4.83 118.68 123.43 2a3s s LEU 24 Ca -0.01 -0.61 -0.12 0.00 -1.03 0.00 0.00 54.13 52.36 2a3s s LEU 24 Cb -0.12 -1.06 0.05 0.00 0.03 0.00 0.00 46.19 45.09 2a3s s LEU 24 CO -0.19 0.16 1.13 0.28 0.23 0.00 0.00 176.35 177.96 2a3s s THR 25 N -0.92 2.86 0.33 5.49 -1.32 -1.26 0.22 115.64 121.05 2a3s s THR 25 Ca 0.09 0.28 0.10 0.00 -1.21 0.00 0.00 61.69 60.95 2a3s s THR 25 Cb -0.09 -3.25 0.33 0.00 -1.51 0.00 0.00 72.50 67.97 2a3s s THR 25 CO 0.03 -0.37 1.77 -0.07 -2.21 0.00 0.00 174.62 173.78 2a3s h LEU 26 N -0.87 0.67 -1.99 9.08 4.07 -1.94 1.38 115.31 125.71 2a3s h LEU 26 Ca -0.46 0.10 0.00 0.00 0.08 0.00 0.00 57.88 57.60 2a3s h LEU 26 Cb 1.28 -0.02 0.00 0.00 1.08 0.00 0.00 40.66 43.01 2a3s h LEU 26 CO 0.64 0.20 0.00 -1.20 -1.08 0.00 0.00 178.44 177.00 2a3s n SER 27 N -4.74 2.92 -0.13 -0.43 7.64 -1.26 -3.76 113.62 113.86 2a3s n SER 27 Ca 0.24 -2.34 -0.27 0.00 1.01 0.00 0.00 58.87 57.51 2a3s n SER 27 Cb 0.67 -0.51 -0.09 0.00 -1.01 0.00 0.00 64.21 63.28 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 0.47 -0.45 0.36 0.23 0.00 0.47 -2.66 105.19 103.61 2a3s n GLY 28 Ca 0.13 -0.16 0.16 0.00 0.00 0.00 0.00 46.02 46.15 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 -0.98 0.82 0.01 -0.61 -0.00 -1.60 0.50 117.51 115.65 2a3s h ILE 29 Ca -0.63 -0.05 -0.02 0.00 -0.00 0.00 0.00 64.86 64.17 2a3s h ILE 29 Cb 1.55 0.66 0.00 0.00 -0.00 0.00 0.00 36.82 39.03 2a3s h ILE 29 CO -0.38 0.03 -0.08 1.88 -0.00 0.00 0.00 178.15 179.60 2a3s h TYR 30 N 0.15 0.03 0.00 2.19 0.05 -1.73 -3.17 116.97 114.48 2a3s h TYR 30 Ca 0.23 -0.02 0.00 0.00 0.05 0.00 0.00 58.73 58.99 2a3s h TYR 30 Cb 0.72 -0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.46 2a3s h TYR 30 CO -0.00 1.03 0.00 0.00 -1.05 0.00 0.00 178.16 178.14 2a3s n ALA 31 N -2.64 1.23 0.00 3.88 0.00 -0.64 -1.93 120.51 120.41 2a3s n ALA 31 Ca -0.11 0.09 -0.00 0.00 0.00 0.00 0.00 53.44 53.43 2a3s n ALA 31 Cb 0.50 -1.24 -0.00 0.00 0.00 0.00 0.00 19.45 18.72 2a3s n ALA 31 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 2a3s h HIS 32 N 0.00 -0.00 -0.78 0.00 -0.00 -0.02 -2.78 115.15 111.58 2a3s h HIS 32 Ca 0.00 -0.00 0.11 0.00 -0.00 0.00 0.00 60.37 60.48 2a3s h HIS 32 Cb 0.10 0.00 -0.08 0.00 -0.00 0.00 0.00 27.41 27.43 2a3s h HIS 32 CO 0.00 -0.00 0.40 0.97 -0.00 0.00 0.00 177.93 179.29 2a3s h ILE 33 N -0.02 0.81 -0.08 6.26 2.10 -1.54 0.51 117.51 125.54 2a3s h ILE 33 Ca -0.00 -0.22 0.02 0.00 1.08 0.00 0.00 64.86 65.75 2a3s h ILE 33 Cb 0.00 0.12 -0.00 0.00 -1.09 0.00 0.00 36.82 35.85 2a3s h ILE 33 CO 0.00 0.12 0.10 0.71 -1.08 0.00 0.00 178.15 178.00 2a3s h THR 34 N 0.63 0.44 0.00 2.19 1.35 -1.49 2.56 112.91 118.58 2a3s h THR 34 Ca 0.40 0.00 -0.11 0.00 -0.55 0.00 0.00 66.41 66.14 2a3s h THR 34 Cb 0.48 0.91 -0.02 0.00 -1.73 0.00 0.00 68.15 67.79 2a3s h THR 34 CO -0.31 0.00 -0.72 0.50 -0.25 0.00 0.00 175.52 174.75 2a3s h LYS 35 N 0.00 0.00 0.05 4.72 3.64 0.25 -3.40 116.57 121.83 2a3s h LYS 35 Ca 0.04 0.00 -0.26 0.00 -1.27 0.00 0.00 60.65 59.16 2a3s h LYS 35 Cb 0.24 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.04 2a3s h LYS 35 CO -0.00 0.72 -1.29 0.45 -2.27 0.00 0.00 179.45 177.06 2a3s h HIS 36 N -1.00 0.20 -3.39 1.91 3.86 -0.83 -3.44 115.15 112.46 2a3s h HIS 36 Ca -0.17 -0.14 -0.59 0.00 -1.16 0.00 0.00 60.37 58.30 2a3s h HIS 36 Cb 0.96 -0.01 -0.10 0.00 1.06 0.00 0.00 27.41 29.33 2a3s h HIS 36 CO 0.07 1.14 -0.20 -0.47 0.86 0.00 0.00 177.93 179.33 2a3s s TYR 37 N -2.66 3.44 -0.34 2.45 5.04 0.86 -4.96 117.35 121.18 2a3s s TYR 37 Ca -0.03 0.71 0.22 0.00 -2.44 0.00 0.00 57.07 55.52 2a3s s TYR 37 Cb 0.08 -2.50 0.34 0.00 0.35 0.00 0.00 41.96 40.23 2a3s s TYR 37 CO 0.84 0.10 1.60 -1.00 -1.34 0.00 0.00 175.55 175.74 2a3s h PRO 38 N 7.01 0.00 0.06 4.97 0.13 -1.85 -3.36 132.00 138.96 2a3s h PRO 38 Ca -0.39 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.74 2a3s h PRO 38 Cb 1.17 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.30 2a3s h PRO 38 CO 0.74 0.12 -0.03 -0.92 -0.23 0.00 0.00 178.00 177.68 2a3s h TYR 39 N 0.00 -0.07 -0.24 1.56 3.20 -1.92 -3.39 116.97 116.10 2a3s h TYR 39 Ca -0.00 -0.00 -0.12 0.00 3.14 0.00 0.00 58.73 61.75 2a3s h TYR 39 Cb 1.06 0.02 -0.01 0.00 1.54 0.00 0.00 36.73 39.34 2a3s h TYR 39 CO 0.00 0.31 0.38 0.71 -1.64 0.00 0.00 178.16 177.92 2a3s s TYR 40 N -2.23 1.45 0.12 -3.82 1.51 -1.26 -4.24 117.35 108.88 2a3s s TYR 40 Ca -0.09 1.71 0.00 0.00 -1.01 0.00 0.00 57.07 57.69 2a3s s TYR 40 Cb -0.01 -3.55 0.00 0.00 -0.11 0.00 0.00 41.96 38.30 2a3s s TYR 40 CO 0.31 -0.89 0.00 0.54 -1.11 0.00 0.00 175.55 174.40 2a3s n ARG 41 N 8.25 0.00 -0.09 -0.62 5.12 -1.26 -3.86 116.66 124.20 2a3s n ARG 41 Ca 0.43 0.00 -0.23 0.00 -1.93 0.00 0.00 57.85 56.11 2a3s n ARG 41 Cb 0.47 -0.11 -0.12 0.00 -1.16 0.00 0.00 32.46 31.54 2a3s n ARG 41 CO 0.00 0.00 0.00 -2.37 -1.93 0.00 0.00 177.63 173.33 2a3s n THR 42 N -3.05 1.59 -2.53 0.55 5.66 -1.26 -4.86 114.28 110.37 2a3s n THR 42 Ca 0.00 -0.29 -0.42 0.00 -3.05 0.00 0.00 64.05 60.28 2a3s n THR 42 Cb 0.00 -1.88 -0.03 0.00 -1.55 0.00 0.00 70.33 66.87 2a3s n THR 42 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2a3s s ALA 43 N -2.45 3.33 0.00 1.79 0.00 -1.26 -4.82 121.76 118.34 2a3s s ALA 43 Ca -0.30 0.70 0.00 0.00 0.00 0.00 0.00 51.96 52.36 2a3s s ALA 43 Cb 0.08 -3.42 0.00 0.00 0.00 0.00 0.00 23.12 19.78 2a3s s ALA 43 CO 0.61 -0.42 0.41 -0.40 0.00 0.00 0.00 175.76 175.96 2a3s n ASP 44 N 4.13 -0.28 -3.83 0.00 5.68 -1.26 -4.77 116.55 116.21 2a3s n ASP 44 Ca 0.08 -0.82 -0.42 0.00 -0.50 0.00 0.00 54.79 53.13 2a3s n ASP 44 Cb 0.48 0.08 0.00 0.00 -1.14 0.00 0.00 41.12 40.55 2a3s n ASP 44 CO 0.00 0.00 0.00 1.17 -1.33 0.00 0.00 177.20 177.04 2a3s n LYS 45 N 0.00 3.88 0.00 0.11 4.81 -1.26 -4.21 118.16 121.49 2a3s n LYS 45 Ca -0.08 -3.68 0.00 0.00 -0.87 0.00 0.00 58.31 53.68 2a3s n LYS 45 Cb 0.39 -2.82 0.00 0.00 0.02 0.00 0.00 35.03 32.61 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 2.41 -2.40 0.16 3.14 0.00 -1.26 -4.93 105.19 102.32 2a3s n GLY 46 Ca 0.40 0.77 0.10 0.00 0.00 0.00 0.00 46.02 47.30 2a3s n GLY 46 CO 0.00 0.00 0.00 -2.67 0.00 0.00 0.00 173.32 170.65 2a3s n TRP 47 N 0.00 0.68 0.35 1.61 4.27 -1.26 -2.50 117.44 120.59 2a3s n TRP 47 Ca 0.00 0.36 -0.18 0.00 -3.89 0.00 0.00 57.50 53.78 2a3s n TRP 47 Cb 0.00 -1.03 -0.09 0.00 -1.36 0.00 0.00 31.31 28.83 2a3s n TRP 47 CO 0.00 0.00 0.00 1.96 -2.29 0.00 0.00 177.69 177.36 2a3s h GLN 48 N 0.00 -0.98 0.00 -2.67 1.08 -1.92 0.14 115.11 110.76 2a3s h GLN 48 Ca 0.00 0.07 0.00 0.00 -1.45 0.00 0.00 58.65 57.27 2a3s h GLN 48 Cb 0.11 0.22 0.00 0.00 -0.05 0.00 0.00 27.48 27.76 2a3s h GLN 48 CO 0.00 -0.65 0.00 -1.71 -0.95 0.00 0.00 178.83 175.52 2a3s n ASN 49 N -5.55 0.73 0.18 1.46 5.15 -1.04 -3.48 115.26 112.71 2a3s n ASN 49 Ca -0.13 0.65 -0.08 0.00 -0.60 0.00 0.00 54.58 54.42 2a3s n ASN 49 Cb 0.44 -0.82 -0.04 0.00 -0.53 0.00 0.00 39.78 38.84 2a3s n ASN 49 CO 0.00 0.00 0.00 0.77 1.40 0.00 0.00 177.26 179.43 2a3s h SER 50 N 0.00 -0.44 -0.66 1.20 4.64 -1.06 -2.36 113.55 114.87 2a3s h SER 50 Ca 0.00 0.02 0.11 0.00 -0.47 0.00 0.00 61.79 61.44 2a3s h SER 50 Cb 0.45 0.11 -0.12 0.00 -0.31 0.00 0.00 62.40 62.54 2a3s h SER 50 CO 0.00 -0.08 -0.38 0.40 -0.87 0.00 0.00 176.83 175.90 2a3s h ILE 51 N -0.99 0.11 -0.81 0.95 1.08 -1.06 2.34 117.51 119.13 2a3s h ILE 51 Ca -0.05 0.00 0.17 0.00 -0.39 0.00 0.00 64.86 64.59 2a3s h ILE 51 Cb 0.40 0.11 -0.11 0.00 -3.07 0.00 0.00 36.82 34.15 2a3s h ILE 51 CO 0.09 0.00 0.33 -0.09 -0.69 0.00 0.00 178.15 177.79 2a3s h ARG 52 N -0.16 0.42 -0.21 2.37 1.12 -1.64 2.23 114.38 118.52 2a3s h ARG 52 Ca 0.23 -0.03 -0.20 0.00 -1.11 0.00 0.00 59.98 58.88 2a3s h ARG 52 Cb 0.56 -0.09 0.00 0.00 -0.01 0.00 0.00 29.97 30.43 2a3s h ARG 52 CO -0.74 0.28 -0.65 1.25 -3.11 0.00 0.00 179.97 177.00 2a3s h HIS 53 N 0.43 0.99 -0.36 2.20 2.76 0.11 -3.17 115.15 118.11 2a3s h HIS 53 Ca 0.47 -0.39 -0.09 0.00 -2.20 0.00 0.00 60.37 58.15 2a3s h HIS 53 Cb 0.77 -0.17 -0.01 0.00 1.55 0.00 0.00 27.41 29.55 2a3s h HIS 53 CO -0.16 1.20 -0.13 -0.91 -1.30 0.00 0.00 177.93 176.63 2a3s h ASN 54 N 0.56 0.75 0.00 3.26 2.35 0.67 -2.17 115.58 121.00 2a3s h ASN 54 Ca -0.02 -0.39 0.00 0.00 -0.55 0.00 0.00 56.30 55.35 2a3s h ASN 54 Cb 1.25 -0.21 0.00 0.00 0.05 0.00 0.00 38.32 39.42 2a3s h ASN 54 CO 0.13 0.97 0.22 -0.07 -1.65 0.00 0.00 177.43 177.03 2a3s h LEU 55 N 0.53 0.00 0.03 1.61 3.38 0.35 0.22 115.31 121.43 2a3s h LEU 55 Ca 0.09 0.00 -0.19 0.00 0.09 0.00 0.00 57.88 57.86 2a3s h LEU 55 Cb 0.66 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.39 2a3s h LEU 55 CO 0.05 0.00 -1.03 0.28 0.09 0.00 0.00 178.44 177.83 2a3s h SER 56 N 0.00 0.09 -0.12 -0.43 0.02 -1.37 -3.37 113.55 108.38 2a3s h SER 56 Ca 0.00 -0.71 -0.11 0.00 -0.84 0.00 0.00 61.79 60.13 2a3s h SER 56 Cb 0.43 -0.03 -0.01 0.00 0.14 0.00 0.00 62.40 62.93 2a3s h SER 56 CO 0.00 1.42 -0.29 -0.07 -1.14 0.00 0.00 176.83 176.74 2a3s h LEU 57 N -0.82 0.60 -9.20 5.07 4.07 -1.04 -3.43 115.31 110.57 2a3s h LEU 57 Ca -0.26 -0.23 -0.71 0.00 0.08 0.00 0.00 57.88 56.76 2a3s h LEU 57 Cb 1.35 -0.17 0.03 0.00 1.08 0.00 0.00 40.66 42.96 2a3s h LEU 57 CO -0.10 0.87 0.73 0.59 -1.08 0.00 0.00 178.44 179.45 2a3s n ASN 58 N -4.09 2.13 0.12 -0.43 3.02 0.67 -4.81 115.26 111.87 2a3s n ASN 58 Ca -0.01 1.09 0.13 0.00 -0.03 0.00 0.00 54.58 55.76 2a3s n ASN 58 Cb 0.45 -1.17 0.33 0.00 -0.61 0.00 0.00 39.78 38.78 2a3s n ASN 58 CO 0.00 0.00 0.00 -0.09 -2.62 0.00 0.00 177.26 174.55 2a3s h ARG 59 N 6.23 0.00 0.00 3.52 2.43 -1.90 -3.26 114.38 121.40 2a3s h ARG 59 Ca -0.47 0.00 -0.17 0.00 -0.81 0.00 0.00 59.98 58.53 2a3s h ARG 59 Cb 1.32 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 30.84 2a3s h ARG 59 CO 0.89 0.00 -1.86 2.48 -1.51 0.00 0.00 179.97 179.97 2a3s n TYR 60 N -2.42 0.40 -2.69 2.20 4.11 -1.26 -4.92 117.16 112.58 2a3s n TYR 60 Ca 0.05 0.13 -0.33 0.00 -0.00 0.00 0.00 57.90 57.76 2a3s n TYR 60 Cb 0.45 -0.88 -0.06 0.00 -0.00 0.00 0.00 39.34 38.85 2a3s n TYR 60 CO 0.00 0.00 0.00 -0.06 -0.00 0.00 0.00 176.86 176.80 2a3s s PHE 61 N -2.99 3.36 0.15 -3.48 0.08 -1.23 0.26 117.98 114.13 2a3s s PHE 61 Ca -0.06 1.54 -0.00 0.00 0.12 0.00 0.00 56.93 58.53 2a3s s PHE 61 Cb 0.09 -2.81 0.00 0.00 -0.57 0.00 0.00 43.02 39.73 2a3s s PHE 61 CO 0.84 -0.19 0.20 0.44 -0.10 0.00 0.00 175.22 176.41 2a3s n ILE 62 N -0.95 0.00 -4.75 0.64 -5.35 0.61 -4.80 119.36 104.75 2a3s n ILE 62 Ca 0.07 -0.83 -0.33 0.00 -0.27 0.00 0.00 62.75 61.39 2a3s n ILE 62 Cb 0.54 0.49 -0.14 0.00 -1.74 0.00 0.00 39.64 38.79 2a3s n ILE 62 CO 0.00 0.00 0.00 -0.54 -1.76 0.00 0.00 176.55 174.25 2a3s s LYS 63 N -2.39 3.40 -0.61 6.28 1.02 -1.26 -1.68 119.74 124.49 2a3s s LYS 63 Ca 0.14 -0.68 -0.01 0.00 0.02 0.00 0.00 55.97 55.44 2a3s s LYS 63 Cb -0.00 -2.65 0.16 0.00 -0.52 0.00 0.00 37.83 34.82 2a3s s LYS 63 CO 0.10 0.21 0.40 0.54 -0.92 0.00 0.00 175.35 175.68 2a3s s VAL 64 N 0.37 3.42 0.96 3.17 0.11 -1.12 -4.93 120.40 122.37 2a3s s VAL 64 Ca -0.10 -3.11 -0.15 0.00 -2.93 0.00 0.00 61.98 55.68 2a3s s VAL 64 Cb -0.16 -3.26 0.18 0.00 -1.53 0.00 0.00 36.38 31.61 2a3s s VAL 64 CO 0.05 -0.87 1.24 -2.16 -3.33 0.00 0.00 175.10 170.03 2a3s s PRO 65 N -0.20 0.72 -0.16 1.54 0.04 -1.26 -4.57 135.00 131.11 2a3s s PRO 65 Ca 0.17 -0.15 -0.26 0.00 0.04 0.00 0.00 61.00 60.81 2a3s s PRO 65 Cb -0.21 -1.83 -0.23 0.00 0.04 0.00 0.00 34.50 32.27 2a3s s PRO 65 CO -0.03 -2.40 0.55 -0.09 0.04 0.00 0.00 177.00 175.07 2a3s h ARG 66 N -1.64 0.00 0.00 4.56 1.12 -1.89 -3.49 114.38 113.04 2a3s h ARG 66 Ca -0.46 0.00 0.00 0.00 -1.11 0.00 0.00 59.98 58.41 2a3s h ARG 66 Cb 1.28 0.00 0.00 0.00 -0.01 0.00 0.00 29.97 31.24 2a3s h ARG 66 CO 0.47 0.98 0.00 0.45 -3.11 0.00 0.00 179.97 178.76 2a3s n SER 67 N -4.55 0.10 -1.00 -3.80 2.88 -1.26 -4.96 113.62 101.04 2a3s n SER 67 Ca -0.18 -0.82 0.08 0.00 -1.33 0.00 0.00 58.87 56.62 2a3s n SER 67 Cb 0.54 0.00 0.27 0.00 -0.75 0.00 0.00 64.21 64.27 2a3s n SER 67 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2a3s n GLN 68 N 0.00 3.01 0.00 -1.46 6.02 -1.26 -4.77 117.38 118.92 2a3s n GLN 68 Ca 0.00 -2.89 0.00 0.00 -0.01 0.00 0.00 57.00 54.10 2a3s n GLN 68 Cb 0.00 -1.88 0.00 0.00 1.02 0.00 0.00 30.24 29.38 2a3s n GLN 68 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 177.06 176.44 2a3s n GLU 69 N -0.47 0.00 -4.13 -1.09 -0.58 -1.26 -5.11 120.64 108.00 2a3s n GLU 69 Ca 0.23 0.00 -0.25 0.00 -0.42 0.00 0.00 57.16 56.72 2a3s n GLU 69 Cb 0.93 0.00 -0.06 0.00 -0.57 0.00 0.00 31.44 31.74 2a3s n GLU 69 CO 0.00 0.00 0.00 -1.21 -0.48 0.00 0.00 177.13 175.44 2a3s s GLU 70 N -0.83 2.74 -0.63 3.49 0.41 -1.26 -5.05 118.70 117.56 2a3s s GLU 70 Ca 0.00 -1.00 -0.27 0.00 -0.41 0.00 0.00 54.97 53.29 2a3s s GLU 70 Cb 0.00 -2.53 0.02 0.00 -1.78 0.00 0.00 34.13 29.84 2a3s s GLU 70 CO 0.00 0.45 1.38 -1.25 -0.49 0.00 0.00 175.26 175.35 2a3s s PRO 71 N -3.24 3.22 0.16 0.39 0.04 -1.26 -4.13 135.00 130.18 2a3s s PRO 71 Ca 0.30 0.19 0.05 0.00 0.04 0.00 0.00 61.00 61.59 2a3s s PRO 71 Cb -0.09 -4.15 -0.06 0.00 0.04 0.00 0.00 34.50 30.23 2a3s s PRO 71 CO 0.22 -2.06 1.35 0.78 0.04 0.00 0.00 177.00 177.34 2a3s h GLY 72 N 13.24 0.09 -2.46 0.56 0.00 -1.93 -3.46 103.07 109.11 2a3s h GLY 72 Ca -0.27 -0.19 -0.45 0.00 0.00 0.00 0.00 47.33 46.42 2a3s h GLY 72 CO 1.22 0.17 -0.71 0.54 0.00 0.00 0.00 176.54 177.76 2a3s s LYS 73 N -3.01 1.38 0.00 4.80 1.02 -1.26 -5.01 119.74 117.65 2a3s s LYS 73 Ca -0.01 -1.64 0.00 0.00 0.02 0.00 0.00 55.97 54.34 2a3s s LYS 73 Cb 0.10 -1.05 0.00 0.00 -0.52 0.00 0.00 37.83 36.36 2a3s s LYS 73 CO 0.82 0.11 0.00 0.41 -0.92 0.00 0.00 175.35 175.77 2a3s n GLY 74 N -0.43 -2.29 2.97 -3.33 0.00 -1.26 -4.87 105.19 95.98 2a3s n GLY 74 Ca -0.07 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.65 2a3s n GLY 74 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2a3s s SER 75 N -1.99 3.23 -0.17 1.61 0.01 -1.26 -5.02 113.70 110.12 2a3s s SER 75 Ca 0.00 -0.82 0.01 0.00 1.31 0.00 0.00 55.95 56.45 2a3s s SER 75 Cb 0.00 -1.14 0.01 0.00 0.21 0.00 0.00 66.02 65.10 2a3s s SER 75 CO 0.00 -0.16 -0.20 0.12 0.41 0.00 0.00 173.24 173.42 2a3s s PHE 76 N 1.46 2.75 0.70 2.43 5.36 -1.26 -3.31 117.98 126.10 2a3s s PHE 76 Ca -0.01 -1.46 -0.07 0.00 -0.96 0.00 0.00 56.93 54.44 2a3s s PHE 76 Cb -0.16 -1.89 0.06 0.00 -0.34 0.00 0.00 43.02 40.69 2a3s s PHE 76 CO -0.08 -0.70 1.01 -1.58 -1.46 0.00 0.00 175.22 172.41 2a3s s TRP 77 N 1.09 2.94 -0.07 10.12 0.52 0.61 -2.81 118.94 131.33 2a3s s TRP 77 Ca -0.00 0.46 -0.30 0.00 0.02 0.00 0.00 56.10 56.28 2a3s s TRP 77 Cb -0.14 -3.16 0.07 0.00 -1.15 0.00 0.00 33.47 29.09 2a3s s TRP 77 CO -0.08 -1.37 0.69 0.50 0.02 0.00 0.00 176.95 176.72 2a3s s ARG 78 N -5.23 1.03 0.06 4.98 3.52 -0.68 -1.10 118.95 121.53 2a3s s ARG 78 Ca 0.60 0.33 0.04 0.00 -0.13 0.00 0.00 55.73 56.57 2a3s s ARG 78 Cb -0.11 0.49 -0.04 0.00 -1.56 0.00 0.00 34.95 33.73 2a3s s ARG 78 CO 0.45 -0.30 -0.01 -1.50 -0.81 0.00 0.00 175.30 173.12 2a3s s ILE 79 N -1.03 3.96 0.33 4.11 2.07 -1.15 0.22 121.20 129.72 2a3s s ILE 79 Ca -0.10 -0.91 -0.29 0.00 -1.41 0.00 0.00 60.65 57.94 2a3s s ILE 79 Cb -0.01 -2.84 -0.12 0.00 0.13 0.00 0.00 42.46 39.63 2a3s s ILE 79 CO 0.09 0.20 1.51 0.47 -1.91 0.00 0.00 174.94 175.30 2a3s n ASP 80 N 0.84 3.68 0.08 4.50 9.92 0.73 -4.85 116.55 131.45 2a3s n ASP 80 Ca -0.12 1.19 -0.07 0.00 -0.53 0.00 0.00 54.79 55.26 2a3s n ASP 80 Cb 0.52 -1.59 -0.05 0.00 -0.64 0.00 0.00 41.12 39.37 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 3.70 0.04 -0.00 -0.24 0.13 -1.97 -2.95 132.00 130.72 2a3s h PRO 81 Ca -0.49 -0.05 0.00 0.00 -0.87 0.00 0.00 66.00 64.59 2a3s h PRO 81 Cb 1.24 0.02 0.00 0.00 0.13 0.00 0.00 31.00 32.39 2a3s h PRO 81 CO 0.70 0.93 -0.52 0.00 -0.23 0.00 0.00 178.00 178.89 2a3s n ALA 82 N -2.39 3.61 0.97 -0.56 0.00 -1.26 -3.43 120.51 117.45 2a3s n ALA 82 Ca -0.01 -0.38 0.11 0.00 0.00 0.00 0.00 53.44 53.16 2a3s n ALA 82 Cb 0.86 -1.09 0.05 0.00 0.00 0.00 0.00 19.45 19.28 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 -1.38 2.55 0.00 0.00 7.64 -1.22 -4.59 113.62 116.62 2a3s n SER 83 Ca 0.06 -1.77 0.00 0.00 1.01 0.00 0.00 58.87 58.17 2a3s n SER 83 Cb 0.34 0.20 0.00 0.00 -1.01 0.00 0.00 64.21 63.74 2a3s n SER 83 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 2a3s n GLU 84 N 0.75 0.00 -0.27 1.43 -0.58 -1.12 0.32 120.64 121.17 2a3s n GLU 84 Ca 0.12 0.15 0.24 0.00 -0.42 0.00 0.00 57.16 57.25 2a3s n GLU 84 Cb 0.53 -1.12 0.42 0.00 -0.57 0.00 0.00 31.44 30.70 2a3s n GLU 84 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2a3s n ALA 85 N -0.89 0.81 -0.04 0.62 0.00 -1.26 0.23 120.51 119.98 2a3s n ALA 85 Ca 0.00 0.60 -0.21 0.00 0.00 0.00 0.00 53.44 53.82 2a3s n ALA 85 Cb 0.00 -0.68 -0.13 0.00 0.00 0.00 0.00 19.45 18.64 2a3s n ALA 85 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 2a3s n LYS 86 N -4.13 0.71 0.22 0.00 4.81 -1.11 -3.76 118.16 114.89 2a3s n LYS 86 Ca 0.26 0.28 0.11 0.00 -0.87 0.00 0.00 58.31 58.08 2a3s n LYS 86 Cb 0.96 -1.67 0.31 0.00 0.02 0.00 0.00 35.03 34.65 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 -0.13 0.00 -0.38 3.14 8.10 1.09 -2.95 115.31 124.17 2a3s h LEU 87 Ca -0.46 0.00 -0.12 0.00 0.11 0.00 0.00 57.88 57.41 2a3s h LEU 87 Cb 1.89 0.00 -0.02 0.00 -0.44 0.00 0.00 40.66 42.10 2a3s h LEU 87 CO -0.01 0.14 -0.58 -0.37 -4.11 0.00 0.00 178.44 173.51 2a3s h VAL 88 N 0.00 1.12 -0.94 0.15 -1.51 0.28 -3.14 116.25 112.20 2a3s h VAL 88 Ca -0.00 -2.25 0.15 0.00 -1.23 0.00 0.00 66.70 63.37 2a3s h VAL 88 Cb 0.92 2.33 -0.08 0.00 -2.13 0.00 0.00 31.29 32.33 2a3s h VAL 88 CO 0.02 0.57 0.60 -0.08 -1.23 0.00 0.00 177.57 177.45 2a3s h GLU 89 N 0.00 0.74 -0.03 5.19 4.57 -1.61 0.84 114.58 124.29 2a3s h GLU 89 Ca -0.01 -0.04 -0.13 0.00 -1.18 0.00 0.00 59.36 58.00 2a3s h GLU 89 Cb 1.28 -0.17 -0.02 0.00 -0.16 0.00 0.00 28.75 29.69 2a3s h GLU 89 CO 0.08 0.49 -0.61 1.96 -1.18 0.00 0.00 179.01 179.75 2a3s h GLN 90 N 0.76 0.09 0.05 1.92 4.20 -1.70 -3.15 115.11 117.28 2a3s h GLN 90 Ca 0.49 -0.06 -0.00 0.00 0.06 0.00 0.00 58.65 59.13 2a3s h GLN 90 Cb 0.73 0.01 0.00 0.00 0.30 0.00 0.00 27.48 28.52 2a3s h GLN 90 CO -0.25 0.67 -0.02 0.00 -0.67 0.00 0.00 178.83 178.56 2a3s h ALA 91 N 1.32 -0.06 0.00 3.87 0.00 0.60 -3.16 119.26 121.82 2a3s h ALA 91 Ca -0.01 -0.05 -0.55 0.00 0.00 0.00 0.00 54.91 54.30 2a3s h ALA 91 Cb 1.09 0.02 0.02 0.00 0.00 0.00 0.00 17.79 18.92 2a3s h ALA 91 CO 0.08 -0.50 2.98 1.19 0.00 0.00 0.00 179.25 183.00 2a3s n PHE 92 N -5.08 2.05 -3.52 0.00 3.72 -0.34 -4.77 117.46 109.51 2a3s n PHE 92 Ca -0.08 -2.39 -0.16 0.00 -0.05 0.00 0.00 57.45 54.77 2a3s n PHE 92 Cb 0.09 -2.03 -0.06 0.00 -0.94 0.00 0.00 39.48 36.54 2a3s n PHE 92 CO 0.00 0.00 0.00 0.50 -0.05 0.00 0.00 176.76 177.21 2a3s s ARG 93 N 3.32 0.99 0.00 -1.08 6.06 -1.20 -5.00 118.95 122.04 2a3s s ARG 93 Ca 0.52 0.20 0.00 0.00 -2.50 0.00 0.00 55.73 53.95 2a3s s ARG 93 Cb 0.14 0.47 0.00 0.00 0.06 0.00 0.00 34.95 35.61 2a3s s ARG 93 CO -0.02 -0.32 0.00 1.63 -2.50 0.00 0.00 175.30 174.09 2a3s n LYS 94 N 0.80 1.06 -4.19 5.12 5.02 -1.26 -4.91 118.16 119.79 2a3s n LYS 94 Ca -0.17 0.00 -0.12 0.00 -2.02 0.00 0.00 58.31 56.00 2a3s n LYS 94 Cb 0.58 0.00 -0.10 0.00 -0.02 0.00 0.00 35.03 35.49 2a3s n LYS 94 CO 0.00 0.00 0.00 0.50 -0.52 0.00 0.00 177.40 177.38 2a3s s ARG 95 N -0.37 1.21 0.00 1.97 3.00 -1.26 -4.92 118.95 118.58 2a3s s ARG 95 Ca 0.00 -1.62 0.00 0.00 -1.00 0.00 0.00 55.73 53.11 2a3s s ARG 95 Cb 0.00 0.28 0.00 0.00 0.00 0.00 0.00 34.95 35.23 2a3s s ARG 95 CO 0.00 -0.40 0.00 0.54 0.00 0.00 0.00 175.30 175.44 2a3s n ARG 96 N -0.27 0.00 -0.67 5.12 1.74 -1.26 -4.99 116.66 116.33 2a3s n ARG 96 Ca 0.02 0.00 -0.02 0.00 -0.77 0.00 0.00 57.85 57.08 2a3s n ARG 96 Cb 0.66 -0.01 -0.02 0.00 -1.02 0.00 0.00 32.46 32.07 2a3s n ARG 96 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2a3s n GLN 97 N -2.47 0.00 -2.06 5.56 0.00 -1.26 -4.96 117.38 112.18 2a3s n GLN 97 Ca 0.00 -0.34 -0.32 0.00 0.00 0.00 0.00 57.00 56.34 2a3s n GLN 97 Cb 0.00 0.16 0.03 0.00 0.00 0.00 0.00 30.24 30.43 2a3s n GLN 97 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.06 174.93 2a3s n ARG 98 N 0.00 3.13 -2.72 2.61 3.00 -1.26 -5.03 116.66 116.39 2a3s n ARG 98 Ca -0.09 -3.96 -0.32 0.00 -0.00 0.00 0.00 57.85 53.48 2a3s n ARG 98 Cb 0.57 -2.27 -0.05 0.00 0.00 0.00 0.00 32.46 30.71 2a3s n ARG 98 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.63 177.83 2a3s s GLY 99 N -2.50 2.18 -0.18 5.14 0.00 -1.26 -4.86 107.32 105.85 2a3s s GLY 99 Ca 0.52 0.16 -0.04 0.00 0.00 0.00 0.00 44.72 45.36 2a3s s GLY 99 CO -0.21 0.41 -0.03 0.14 0.00 0.00 0.00 173.10 173.41 2a3s s VAL 100 N -2.35 3.76 -2.10 1.40 1.01 -1.26 -5.08 120.40 115.78 2a3s s VAL 100 Ca 0.58 -0.39 0.31 0.00 0.00 0.00 0.00 61.98 62.48 2a3s s VAL 100 Cb -0.10 -2.67 0.84 0.00 0.00 0.00 0.00 36.38 34.45 2a3s s VAL 100 CO 0.24 0.46 2.13 -0.24 0.00 0.00 0.00 175.10 177.69