#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1zzi s PRO 12 N 0.00 4.16 -0.18 1.61 0.02 -1.26 -4.87 135.00 134.49 1zzi s PRO 12 Ca 0.00 2.49 -0.21 0.00 0.02 0.00 0.00 61.00 63.31 1zzi s PRO 12 Cb 0.00 -3.00 -0.03 0.00 0.02 0.00 0.00 34.50 31.49 1zzi s PRO 12 CO 0.00 -0.48 0.62 0.42 -0.33 0.00 0.00 177.00 177.23 1zzi s ILE 13 N -0.90 5.04 0.32 2.83 1.01 -1.26 -4.18 121.20 124.06 1zzi s ILE 13 Ca 0.54 1.18 0.04 0.00 0.00 0.00 0.00 60.65 62.41 1zzi s ILE 13 Cb -0.45 -3.94 -0.04 0.00 0.01 0.00 0.00 42.46 38.04 1zzi s ILE 13 CO 0.58 0.15 0.17 0.27 0.00 0.00 0.00 174.94 176.11 1zzi s ILE 14 N 1.67 0.31 -0.02 2.92 -4.36 0.16 -4.88 121.20 117.00 1zzi s ILE 14 Ca 0.29 -2.00 0.04 0.00 -0.26 0.00 0.00 60.65 58.72 1zzi s ILE 14 Cb -0.16 -2.49 -0.00 0.00 1.25 0.00 0.00 42.46 41.05 1zzi s ILE 14 CO 0.11 0.00 -0.12 -0.89 0.24 0.00 0.00 174.94 174.28 1zzi s THR 15 N -3.55 1.03 0.06 8.37 2.01 -1.26 -1.20 115.64 121.10 1zzi s THR 15 Ca 0.35 -0.52 0.04 0.00 0.31 0.00 0.00 61.69 61.88 1zzi s THR 15 Cb 0.04 -0.88 -0.03 0.00 0.01 0.00 0.00 72.50 71.65 1zzi s THR 15 CO 0.18 0.30 -0.13 -0.89 -0.69 0.00 0.00 174.62 173.40 1zzi s THR 16 N -0.04 1.00 0.06 -0.82 2.01 0.14 -4.97 115.64 113.02 1zzi s THR 16 Ca 0.00 -1.18 0.07 0.00 0.31 0.00 0.00 61.69 60.89 1zzi s THR 16 Cb -0.08 -0.96 -0.03 0.00 0.01 0.00 0.00 72.50 71.43 1zzi s THR 16 CO 0.00 -0.20 -0.16 -1.10 -0.69 0.00 0.00 174.62 172.47 1zzi s GLN 17 N -1.56 2.06 0.06 4.92 -0.21 -1.26 -0.08 119.66 123.58 1zzi s GLN 17 Ca -0.03 -1.01 0.01 0.00 0.02 0.00 0.00 55.36 54.36 1zzi s GLN 17 Cb -0.09 -2.21 -0.03 0.00 1.00 0.00 0.00 33.01 31.67 1zzi s GLN 17 CO 0.02 0.53 -0.06 0.14 -2.12 0.00 0.00 175.29 173.79 1zzi s VAL 18 N -1.01 0.49 0.10 1.09 -7.23 -0.08 -4.97 120.40 108.78 1zzi s VAL 18 Ca 0.16 -1.43 0.06 0.00 -1.81 0.00 0.00 61.98 58.96 1zzi s VAL 18 Cb -0.11 -1.03 -0.04 0.00 0.56 0.00 0.00 36.38 35.77 1zzi s VAL 18 CO 0.08 -0.64 -0.03 0.42 -0.31 0.00 0.00 175.10 174.62 1zzi s THR 19 N -2.44 3.83 0.01 5.32 -4.23 -1.26 -0.30 115.64 116.56 1zzi s THR 19 Ca -0.02 -1.09 0.07 0.00 -1.18 0.00 0.00 61.69 59.47 1zzi s THR 19 Cb -0.03 -2.82 -0.02 0.00 1.34 0.00 0.00 72.50 70.97 1zzi s THR 19 CO -0.03 0.10 -0.21 -0.51 -0.54 0.00 0.00 174.62 173.44 1zzi s ILE 20 N -1.31 1.66 0.31 2.99 2.07 -0.13 -4.94 121.20 121.84 1zzi s ILE 20 Ca 0.25 -1.02 -0.29 0.00 -1.41 0.00 0.00 60.65 58.18 1zzi s ILE 20 Cb -0.11 -1.40 -0.13 0.00 0.13 0.00 0.00 42.46 40.95 1zzi s ILE 20 CO 0.17 0.36 1.29 -2.65 -1.91 0.00 0.00 174.94 172.20 1zzi n PRO 21 N 2.27 2.01 0.18 3.50 -0.02 -1.26 0.11 135.00 141.79 1zzi n PRO 21 Ca -0.16 0.71 0.03 0.00 -2.02 0.00 0.00 63.50 62.06 1zzi n PRO 21 Cb 0.53 -2.28 0.42 0.00 -0.02 0.00 0.00 33.50 32.15 1zzi n PRO 21 CO 0.00 0.00 0.00 1.57 1.98 0.00 0.00 175.50 179.05 1zzi h LYS 22 N 2.90 0.06 0.00 -0.52 2.10 -0.68 -1.40 116.57 119.02 1zzi h LYS 22 Ca -0.45 -0.02 -0.00 0.00 -2.00 0.00 0.00 60.65 58.18 1zzi h LYS 22 Cb 1.29 -0.01 -0.00 0.00 -0.90 0.00 0.00 32.23 32.61 1zzi h LYS 22 CO 0.66 0.30 -0.01 -0.44 -2.00 0.00 0.00 179.45 177.96 1zzi h ASP 23 N 0.05 0.00 -0.00 7.07 3.32 -1.88 -2.48 116.42 122.49 1zzi h ASP 23 Ca 0.01 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.06 1zzi h ASP 23 Cb 0.47 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.02 1zzi h ASP 23 CO 0.03 0.01 -0.87 0.18 -1.72 0.00 0.00 179.24 176.87 1zzi n LEU 24 N -3.14 1.12 0.16 1.55 4.77 -0.54 -4.51 117.00 116.40 1zzi n LEU 24 Ca -0.02 -0.54 0.01 0.00 -0.03 0.00 0.00 56.01 55.43 1zzi n LEU 24 Cb 0.14 0.00 0.33 0.00 -2.33 0.00 0.00 43.42 41.56 1zzi n LEU 24 CO 0.23 0.26 0.73 0.00 -1.33 0.00 0.00 177.39 177.27 1zzi h ALA 25 N 3.00 1.34 -0.38 -1.18 0.00 -1.33 -1.23 119.26 119.47 1zzi h ALA 25 Ca 0.00 -0.34 0.11 0.00 0.00 0.00 0.00 54.91 54.68 1zzi h ALA 25 Cb 0.52 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.22 1zzi h ALA 25 CO 0.00 0.48 0.30 0.78 0.00 0.00 0.00 179.25 180.81 1zzi h GLY 26 N 1.09 0.00 2.00 0.00 0.00 -1.79 -0.89 103.07 103.48 1zzi h GLY 26 Ca 0.01 0.00 -0.15 0.00 0.00 0.00 0.00 47.33 47.19 1zzi h GLY 26 CO 0.05 0.00 -0.70 1.48 0.00 0.00 0.00 176.54 177.37 1zzi h SER 27 N 0.00 0.00 1.14 0.19 4.64 -1.55 0.85 113.55 118.82 1zzi h SER 27 Ca 0.18 0.00 -0.17 0.00 -0.47 0.00 0.00 61.79 61.33 1zzi h SER 27 Cb 0.77 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.84 1zzi h SER 27 CO -0.00 0.70 -0.88 0.16 -0.87 0.00 0.00 176.83 175.94 1zzi h ILE 28 N 0.00 1.31 0.03 0.95 3.07 -1.27 -3.33 117.51 118.27 1zzi h ILE 28 Ca -0.01 -2.89 -0.00 0.00 1.55 0.00 0.00 64.86 63.52 1zzi h ILE 28 Cb 1.26 2.63 0.00 0.00 -0.27 0.00 0.00 36.82 40.45 1zzi h ILE 28 CO 0.09 0.74 -0.02 0.40 -1.05 0.00 0.00 178.15 178.32 1zzi h ILE 29 N 0.00 1.16 0.00 0.16 2.04 -1.30 -2.35 117.51 117.22 1zzi h ILE 29 Ca -0.03 -1.71 0.00 0.00 1.00 0.00 0.00 64.86 64.11 1zzi h ILE 29 Cb 1.64 2.13 0.00 0.00 -0.74 0.00 0.00 36.82 39.84 1zzi h ILE 29 CO 0.10 0.37 0.00 0.61 0.00 0.00 0.00 178.15 179.23 1zzi n GLY 30 N 1.37 -1.48 3.75 5.37 0.00 0.28 -1.53 105.19 112.94 1zzi n GLY 30 Ca -0.07 -1.57 -0.42 0.00 0.00 0.00 0.00 46.02 43.97 1zzi n GLY 30 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1zzi s LYS 31 N -2.59 4.11 -1.61 1.61 -0.14 -1.26 -0.76 119.74 119.10 1zzi s LYS 31 Ca 0.00 2.59 0.00 0.00 -1.36 0.00 0.00 55.97 57.20 1zzi s LYS 31 Cb 0.00 -3.02 0.00 0.00 -1.68 0.00 0.00 37.83 33.13 1zzi s LYS 31 CO 0.00 -0.65 0.00 0.41 -0.76 0.00 0.00 175.35 174.35 1zzi n GLY 32 N 2.27 0.91 2.30 -3.33 0.00 -1.26 -1.27 105.19 104.81 1zzi n GLY 32 Ca 0.09 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.98 1zzi n GLY 32 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1zzi n GLY 33 N -0.48 0.46 0.23 -0.02 0.00 0.06 -4.93 105.19 100.51 1zzi n GLY 33 Ca -0.17 -0.37 -0.06 0.00 0.00 0.00 0.00 46.02 45.42 1zzi n GLY 33 CO 0.00 0.00 0.00 0.06 0.00 0.00 0.00 173.32 173.38 1zzi h GLN 34 N 0.00 0.54 -0.03 1.61 3.07 -0.91 -1.44 115.11 117.96 1zzi h GLN 34 Ca -0.29 -0.26 -0.02 0.00 0.09 0.00 0.00 58.65 58.16 1zzi h GLN 34 Cb 1.08 -0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.64 1zzi h GLN 34 CO 0.38 0.83 -0.07 -0.09 0.09 0.00 0.00 178.83 179.97 1zzi h ARG 35 N 0.45 0.10 -0.15 0.06 9.65 -1.53 -1.99 114.38 120.96 1zzi h ARG 35 Ca 0.04 -0.07 -0.07 0.00 -1.10 0.00 0.00 59.98 58.79 1zzi h ARG 35 Cb 0.86 0.01 -0.01 0.00 -1.39 0.00 0.00 29.97 29.44 1zzi h ARG 35 CO 0.07 0.68 -0.21 0.97 2.80 0.00 0.00 179.97 184.29 1zzi h ILE 36 N -0.47 1.22 -0.52 1.20 6.09 -0.78 0.19 117.51 124.45 1zzi h ILE 36 Ca -0.00 -1.02 -0.01 0.00 -1.37 0.00 0.00 64.86 62.46 1zzi h ILE 36 Cb 0.69 1.34 -0.02 0.00 0.47 0.00 0.00 36.82 39.29 1zzi h ILE 36 CO 0.02 0.31 0.30 0.50 -3.07 0.00 0.00 178.15 176.21 1zzi h LYS 37 N 0.24 0.71 -0.72 2.19 3.64 -1.25 0.09 116.57 121.48 1zzi h LYS 37 Ca 0.04 -0.07 -0.04 0.00 -1.27 0.00 0.00 60.65 59.31 1zzi h LYS 37 Cb 0.51 -0.15 -0.03 0.00 -0.41 0.00 0.00 32.23 32.16 1zzi h LYS 37 CO 0.03 0.53 0.28 0.37 -2.27 0.00 0.00 179.45 178.40 1zzi h GLN 38 N 0.69 1.08 -0.55 1.90 5.75 -0.43 -1.65 115.11 121.91 1zzi h GLN 38 Ca 0.18 -0.20 -0.03 0.00 -0.15 0.00 0.00 58.65 58.45 1zzi h GLN 38 Cb 0.02 -0.17 -0.02 0.00 1.07 0.00 0.00 27.48 28.37 1zzi h GLN 38 CO -0.03 0.89 0.22 0.82 -2.65 0.00 0.00 178.83 178.08 1zzi h ILE 39 N 1.03 1.22 -0.40 2.39 2.04 -0.70 0.31 117.51 123.40 1zzi h ILE 39 Ca 0.24 -0.69 0.00 0.00 1.00 0.00 0.00 64.86 65.41 1zzi h ILE 39 Cb 0.22 0.65 -0.02 0.00 -0.74 0.00 0.00 36.82 36.93 1zzi h ILE 39 CO -0.02 0.26 0.26 0.03 0.00 0.00 0.00 178.15 178.68 1zzi h ARG 40 N 0.75 0.52 0.27 2.37 3.08 -0.72 0.66 114.38 121.31 1zzi h ARG 40 Ca 0.18 -0.03 -0.01 0.00 0.07 0.00 0.00 59.98 60.18 1zzi h ARG 40 Cb 0.20 -0.12 0.00 0.00 0.08 0.00 0.00 29.97 30.14 1zzi h ARG 40 CO -0.01 0.36 -0.13 1.25 -1.07 0.00 0.00 179.97 180.36 1zzi h HIS 41 N 0.53 -0.34 -0.42 3.04 2.76 -1.05 -1.89 115.15 117.78 1zzi h HIS 41 Ca 0.14 -0.01 -0.10 0.00 -2.20 0.00 0.00 60.37 58.21 1zzi h HIS 41 Cb -0.05 0.11 -0.02 0.00 1.55 0.00 0.00 27.41 29.00 1zzi h HIS 41 CO -0.05 -0.18 -0.13 1.49 -1.30 0.00 0.00 177.93 177.76 1zzi h GLU 42 N -0.40 0.76 0.08 5.26 4.81 -0.20 -3.16 114.58 121.73 1zzi h GLU 42 Ca -0.04 -0.26 -0.29 0.00 -0.13 0.00 0.00 59.36 58.65 1zzi h GLU 42 Cb 0.30 -0.06 -0.02 0.00 0.63 0.00 0.00 28.75 29.61 1zzi h GLU 42 CO 0.06 0.85 -1.45 0.66 -0.73 0.00 0.00 179.01 178.41 1zzi h SER 43 N 0.69 0.27 0.00 1.04 4.64 -0.94 -3.48 113.55 115.77 1zzi h SER 43 Ca 0.11 -0.37 0.00 0.00 -0.47 0.00 0.00 61.79 61.06 1zzi h SER 43 Cb 0.61 -0.09 0.00 0.00 -0.31 0.00 0.00 62.40 62.61 1zzi h SER 43 CO 0.04 1.31 0.00 0.61 -0.87 0.00 0.00 176.83 177.92 1zzi n GLY 44 N 1.59 2.30 3.80 -0.77 0.00 -0.71 -4.70 105.19 106.70 1zzi n GLY 44 Ca -0.13 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.55 1zzi n GLY 44 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1zzi s ALA 45 N -3.34 3.03 -0.15 4.61 0.00 -1.26 -4.95 121.76 119.70 1zzi s ALA 45 Ca 0.00 0.50 -0.27 0.00 0.00 0.00 0.00 51.96 52.19 1zzi s ALA 45 Cb 0.00 -3.19 -0.01 0.00 0.00 0.00 0.00 23.12 19.91 1zzi s ALA 45 CO 0.00 -0.01 0.91 0.45 0.00 0.00 0.00 175.76 177.11 1zzi s SER 46 N -1.98 7.07 -0.04 0.00 0.15 0.65 -4.76 113.70 114.79 1zzi s SER 46 Ca 0.61 1.32 0.04 0.00 0.70 0.00 0.00 55.95 58.62 1zzi s SER 46 Cb -0.14 -2.50 -0.00 0.00 -1.71 0.00 0.00 66.02 61.68 1zzi s SER 46 CO 0.18 -0.42 -0.15 -0.63 1.20 0.00 0.00 173.24 173.41 1zzi s ILE 47 N 2.12 1.29 -0.10 6.45 1.01 -1.26 0.15 121.20 130.86 1zzi s ILE 47 Ca 0.42 -0.63 0.00 0.00 0.00 0.00 0.00 60.65 60.44 1zzi s ILE 47 Cb -0.17 -1.12 0.02 0.00 0.01 0.00 0.00 42.46 41.20 1zzi s ILE 47 CO 0.14 0.38 -0.09 -0.75 0.00 0.00 0.00 174.94 174.62 1zzi s LYS 48 N 0.14 1.57 -0.38 2.79 2.20 -0.05 -4.97 119.74 121.04 1zzi s LYS 48 Ca -0.05 -0.29 -0.10 0.00 -0.36 0.00 0.00 55.97 55.16 1zzi s LYS 48 Cb -0.12 -1.54 0.04 0.00 -1.51 0.00 0.00 37.83 34.70 1zzi s LYS 48 CO 0.02 -0.19 0.20 0.42 -0.36 0.00 0.00 175.35 175.44 1zzi s ILE 49 N 1.44 4.41 0.77 5.43 1.01 -1.26 -0.23 121.20 132.77 1zzi s ILE 49 Ca 0.00 -1.00 -0.15 0.00 0.00 0.00 0.00 60.65 59.51 1zzi s ILE 49 Cb -0.13 -3.51 0.05 0.00 0.01 0.00 0.00 42.46 38.87 1zzi s ILE 49 CO -0.05 -0.28 1.15 0.47 0.00 0.00 0.00 174.94 176.23 1zzi n ASP 50 N 4.96 1.04 -4.74 3.58 8.00 0.08 -4.98 116.55 124.49 1zzi n ASP 50 Ca -0.12 0.64 -0.33 0.00 0.71 0.00 0.00 54.79 55.69 1zzi n ASP 50 Cb 0.45 -1.49 0.08 0.00 -0.02 0.00 0.00 41.12 40.14 1zzi n ASP 50 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 1zzi s GLU 51 N -3.81 2.36 0.20 -1.24 0.41 -1.26 -4.59 118.70 110.77 1zzi s GLU 51 Ca 0.75 1.53 -0.32 0.00 -0.41 0.00 0.00 54.97 56.51 1zzi s GLU 51 Cb -0.32 -1.88 -0.12 0.00 -1.78 0.00 0.00 34.13 30.03 1zzi s GLU 51 CO 0.49 -1.62 1.74 -0.35 -0.49 0.00 0.00 175.26 175.03 1zzi n PRO 52 N -2.77 2.79 -3.25 0.39 -0.04 -1.26 -4.85 135.00 126.02 1zzi n PRO 52 Ca 0.12 1.01 -0.33 0.00 -0.04 0.00 0.00 63.50 64.25 1zzi n PRO 52 Cb 0.51 -2.86 -0.06 0.00 -0.04 0.00 0.00 33.50 31.06 1zzi n PRO 52 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1zzi s LEU 53 N 1.34 4.17 0.07 1.53 1.02 -1.26 -5.06 118.68 120.48 1zzi s LEU 53 Ca 0.76 1.16 -0.31 0.00 0.02 0.00 0.00 54.13 55.76 1zzi s LEU 53 Cb -0.50 -3.79 -0.08 0.00 0.02 0.00 0.00 46.19 41.84 1zzi s LEU 53 CO 0.33 -0.09 1.54 -0.70 0.02 0.00 0.00 176.35 177.45 1zzi s GLU 54 N -2.67 4.24 0.00 1.70 2.12 -1.26 -2.86 118.70 119.97 1zzi s GLU 54 Ca 0.48 2.20 0.00 0.00 0.36 0.00 0.00 54.97 58.02 1zzi s GLU 54 Cb -0.12 -3.50 0.00 0.00 0.26 0.00 0.00 34.13 30.77 1zzi s GLU 54 CO 0.19 -0.64 0.00 0.41 -0.54 0.00 0.00 175.26 174.68 1zzi n GLY 55 N 3.81 0.63 3.70 -1.50 0.00 -1.26 -5.05 105.19 105.52 1zzi n GLY 55 Ca 0.14 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.81 1zzi n GLY 55 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1zzi s SER 56 N -2.93 5.34 0.00 1.61 0.15 -1.13 -4.98 113.70 111.75 1zzi s SER 56 Ca 0.00 0.17 0.28 0.00 0.70 0.00 0.00 55.95 57.10 1zzi s SER 56 Cb 0.00 -1.54 1.12 0.00 -1.71 0.00 0.00 66.02 63.89 1zzi s SER 56 CO 0.00 0.37 1.78 -0.62 1.20 0.00 0.00 173.24 175.98 1zzi n GLU 57 N 2.17 1.16 -4.42 5.44 -0.58 -1.26 -4.80 120.64 118.35 1zzi n GLU 57 Ca -0.19 -0.57 -0.21 0.00 -0.42 0.00 0.00 57.16 55.77 1zzi n GLU 57 Cb 0.54 -1.49 -0.10 0.00 -0.57 0.00 0.00 31.44 29.82 1zzi n GLU 57 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 1zzi s ASP 58 N -2.23 2.87 0.03 1.62 1.01 -1.26 0.03 116.67 118.73 1zzi s ASP 58 Ca 0.34 -1.14 0.09 0.00 0.71 0.00 0.00 52.55 52.55 1zzi s ASP 58 Cb 0.20 -0.19 -0.03 0.00 1.01 0.00 0.00 42.92 43.92 1zzi s ASP 58 CO 0.42 -0.25 -0.26 -0.13 0.21 0.00 0.00 175.17 175.15 1zzi s ARG 59 N -3.68 1.88 -0.07 8.23 0.52 0.12 -4.66 118.95 121.28 1zzi s ARG 59 Ca 0.28 -1.05 -0.15 0.00 -0.52 0.00 0.00 55.73 54.29 1zzi s ARG 59 Cb 0.02 -1.98 -0.05 0.00 0.52 0.00 0.00 34.95 33.46 1zzi s ARG 59 CO 0.11 0.52 0.38 0.42 0.02 0.00 0.00 175.30 176.76 1zzi s ILE 60 N -0.74 5.16 -0.12 1.52 1.01 -1.26 -0.95 121.20 125.81 1zzi s ILE 60 Ca 0.11 0.76 0.00 0.00 0.00 0.00 0.00 60.65 61.53 1zzi s ILE 60 Cb -0.10 -3.70 -0.01 0.00 0.01 0.00 0.00 42.46 38.66 1zzi s ILE 60 CO 0.01 0.48 -0.14 -0.63 0.00 0.00 0.00 174.94 174.66 1zzi s ILE 61 N -0.33 2.98 -0.11 2.92 1.01 0.59 -0.74 121.20 127.51 1zzi s ILE 61 Ca 0.22 -0.69 0.00 0.00 0.00 0.00 0.00 60.65 60.18 1zzi s ILE 61 Cb -0.15 -2.24 -0.02 0.00 0.01 0.00 0.00 42.46 40.06 1zzi s ILE 61 CO 0.10 0.53 -0.11 -0.89 0.00 0.00 0.00 174.94 174.57 1zzi s THR 62 N 0.29 3.25 -0.07 2.92 2.01 0.68 -0.91 115.64 123.80 1zzi s THR 62 Ca -0.10 -0.61 0.02 0.00 0.31 0.00 0.00 61.69 61.31 1zzi s THR 62 Cb -0.16 -2.35 0.01 0.00 0.01 0.00 0.00 72.50 70.01 1zzi s THR 62 CO 0.06 0.54 -0.14 -0.63 -0.69 0.00 0.00 174.62 173.75 1zzi s ILE 63 N 0.06 1.30 -0.04 1.82 1.01 0.88 -0.87 121.20 125.37 1zzi s ILE 63 Ca -0.04 -0.57 0.04 0.00 0.00 0.00 0.00 60.65 60.08 1zzi s ILE 63 Cb -0.14 -1.17 -0.00 0.00 0.01 0.00 0.00 42.46 41.15 1zzi s ILE 63 CO 0.04 0.39 -0.16 -0.89 0.00 0.00 0.00 174.94 174.32 1zzi s THR 64 N 0.64 1.32 -4.76 2.92 2.01 0.12 -0.69 115.64 117.20 1zzi s THR 64 Ca -0.15 -0.66 0.00 0.00 0.31 0.00 0.00 61.69 61.19 1zzi s THR 64 Cb -0.16 -1.13 0.00 0.00 0.01 0.00 0.00 72.50 71.22 1zzi s THR 64 CO 0.04 0.38 0.00 0.61 -0.69 0.00 0.00 174.62 174.96 1zzi n GLY 65 N 3.08 -1.08 3.74 4.40 0.00 -0.34 -0.25 105.19 114.75 1zzi n GLY 65 Ca -0.17 -1.17 -0.29 0.00 0.00 0.00 0.00 46.02 44.38 1zzi n GLY 65 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1zzi s THR 66 N -3.00 2.56 0.22 2.61 -4.23 -1.26 0.38 115.64 112.91 1zzi s THR 66 Ca 0.00 0.18 -0.08 0.00 -1.18 0.00 0.00 61.69 60.61 1zzi s THR 66 Cb 0.00 -2.77 0.16 0.00 1.34 0.00 0.00 72.50 71.22 1zzi s THR 66 CO 0.00 -0.24 1.79 -0.61 -0.54 0.00 0.00 174.62 175.02 1zzi h GLN 67 N -1.49 0.60 -0.45 3.99 4.15 -1.94 0.88 115.11 120.87 1zzi h GLN 67 Ca -0.50 -0.04 -0.06 0.00 0.77 0.00 0.00 58.65 58.82 1zzi h GLN 67 Cb 1.30 -0.14 -0.02 0.00 0.21 0.00 0.00 27.48 28.83 1zzi h GLN 67 CO 0.57 0.40 0.04 -0.44 -1.93 0.00 0.00 178.83 177.48 1zzi h ASP 68 N 0.62 0.73 -0.65 -0.69 3.32 -1.95 0.97 116.42 118.78 1zzi h ASP 68 Ca 0.32 -0.28 -0.02 0.00 0.02 0.00 0.00 57.03 57.08 1zzi h ASP 68 Cb 0.29 -0.20 -0.03 0.00 0.22 0.00 0.00 39.33 39.61 1zzi h ASP 68 CO -0.23 0.83 0.34 1.56 -1.72 0.00 0.00 179.24 180.01 1zzi h GLN 69 N 0.61 0.92 -0.56 3.56 4.20 -1.66 -1.57 115.11 120.61 1zzi h GLN 69 Ca 0.13 -0.12 -0.08 0.00 0.06 0.00 0.00 58.65 58.64 1zzi h GLN 69 Cb 0.43 -0.17 -0.02 0.00 0.30 0.00 0.00 27.48 28.01 1zzi h GLN 69 CO 0.01 0.71 0.02 0.82 -0.67 0.00 0.00 178.83 179.73 1zzi h ILE 70 N 0.89 1.26 -0.42 2.54 2.04 -0.56 -0.94 117.51 122.32 1zzi h ILE 70 Ca 0.23 -1.08 -0.04 0.00 1.00 0.00 0.00 64.86 64.97 1zzi h ILE 70 Cb 0.07 0.86 -0.02 0.00 -0.74 0.00 0.00 36.82 36.99 1zzi h ILE 70 CO -0.03 0.39 0.12 1.56 0.00 0.00 0.00 178.15 180.19 1zzi h GLN 71 N 0.86 0.66 -0.02 2.37 4.20 -0.64 0.40 115.11 122.93 1zzi h GLN 71 Ca 0.16 -0.15 -0.00 0.00 0.06 0.00 0.00 58.65 58.72 1zzi h GLN 71 Cb 0.51 -0.09 -0.00 0.00 0.30 0.00 0.00 27.48 28.20 1zzi h GLN 71 CO 0.02 0.65 0.01 -0.97 -0.67 0.00 0.00 178.83 177.88 1zzi h ASN 72 N 0.54 0.03 -0.70 1.46 -0.00 -1.19 0.56 115.58 116.27 1zzi h ASN 72 Ca 0.13 -0.04 0.07 0.00 -0.00 0.00 0.00 56.30 56.46 1zzi h ASN 72 Cb 0.28 -0.01 -0.06 0.00 -0.00 0.00 0.00 38.32 38.53 1zzi h ASN 72 CO -0.00 0.06 0.38 0.00 -0.00 0.00 0.00 177.43 177.87 1zzi h ALA 73 N 0.97 0.96 -0.46 1.57 0.00 -0.78 -0.15 119.26 121.36 1zzi h ALA 73 Ca 0.01 0.03 -0.08 0.00 0.00 0.00 0.00 54.91 54.87 1zzi h ALA 73 Cb 0.04 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 1zzi h ALA 73 CO -0.00 0.03 -0.04 1.96 0.00 0.00 0.00 179.25 181.19 1zzi h GLN 74 N 0.67 0.78 -0.10 0.00 4.20 0.19 0.13 115.11 120.99 1zzi h GLN 74 Ca 0.33 -0.23 -0.01 0.00 0.06 0.00 0.00 58.65 58.80 1zzi h GLN 74 Cb 0.26 -0.08 -0.00 0.00 0.30 0.00 0.00 27.48 27.96 1zzi h GLN 74 CO -0.22 0.82 0.01 -0.92 -0.67 0.00 0.00 178.83 177.85 1zzi h TYR 75 N 0.72 0.19 -0.37 2.96 3.20 -0.12 -2.08 116.97 121.48 1zzi h TYR 75 Ca 0.13 -0.03 -0.07 0.00 3.14 0.00 0.00 58.73 61.91 1zzi h TYR 75 Cb 0.50 -0.05 -0.02 0.00 1.54 0.00 0.00 36.73 38.70 1zzi h TYR 75 CO 0.03 0.40 -0.06 -0.07 -1.64 0.00 0.00 178.16 176.81 1zzi h LEU 76 N -0.08 0.59 -0.17 2.82 3.38 -0.58 -0.58 115.31 120.69 1zzi h LEU 76 Ca 0.03 -0.14 -0.03 0.00 0.09 0.00 0.00 57.88 57.83 1zzi h LEU 76 Cb 0.32 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.91 1zzi h LEU 76 CO 0.00 0.70 0.01 -0.07 0.09 0.00 0.00 178.44 179.17 1zzi h LEU 77 N 0.57 0.29 -0.43 1.67 3.38 -0.55 -1.68 115.31 118.56 1zzi h LEU 77 Ca 0.11 -0.30 -0.18 0.00 0.09 0.00 0.00 57.88 57.61 1zzi h LEU 77 Cb 0.46 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.12 1zzi h LEU 77 CO 0.02 0.51 -0.76 0.06 0.09 0.00 0.00 178.44 178.36 1zzi h GLN 78 N 0.05 0.22 0.00 1.13 -0.00 -1.19 -2.38 115.11 112.94 1zzi h GLN 78 Ca 0.05 -0.20 -0.02 0.00 -0.00 0.00 0.00 58.65 58.48 1zzi h GLN 78 Cb 0.36 0.05 -0.00 0.00 -0.00 0.00 0.00 27.48 27.88 1zzi h GLN 78 CO 0.01 0.88 -0.09 -0.97 -0.00 0.00 0.00 178.83 178.66 1zzi h ASN 79 N 0.14 0.00 -0.06 0.06 -0.00 -1.00 -2.27 115.58 112.46 1zzi h ASN 79 Ca -0.03 0.00 0.02 0.00 -0.00 0.00 0.00 56.30 56.29 1zzi h ASN 79 Cb 1.34 0.00 -0.00 0.00 -0.00 0.00 0.00 38.32 39.66 1zzi h ASN 79 CO 0.12 0.09 0.05 0.28 -0.00 0.00 0.00 177.43 177.96 1zzi h SER 80 N 0.00 0.00 0.61 1.15 0.02 -0.75 -1.86 113.55 112.72 1zzi h SER 80 Ca -0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1zzi h SER 80 Cb 0.33 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.87 1zzi h SER 80 CO 0.01 0.00 0.00 0.58 -1.14 0.00 0.00 176.83 176.28 1zzi h VAL 81 N 0.00 0.00 -0.45 2.27 2.07 -1.51 0.44 116.25 119.07 1zzi h VAL 81 Ca 0.03 -0.29 0.13 0.00 0.82 0.00 0.00 66.70 67.39 1zzi h VAL 81 Cb 0.12 1.24 -0.02 0.00 -1.52 0.00 0.00 31.29 31.12 1zzi h VAL 81 CO -0.00 0.00 0.42 0.11 0.02 0.00 0.00 177.57 178.12 1zzi h LYS 82 N 0.00 0.00 -0.64 1.57 1.57 -1.51 -0.46 116.57 117.10 1zzi h LYS 82 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1zzi h LYS 82 Cb 0.30 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.61 1zzi h LYS 82 CO 0.00 0.00 0.00 1.04 -0.57 0.00 0.00 179.45 179.92 1zzi n GLN 83 N -3.90 2.56 -1.81 3.15 6.02 0.14 -4.95 117.38 118.60 1zzi n GLN 83 Ca 0.08 -2.31 -0.41 0.00 -0.01 0.00 0.00 57.00 54.35 1zzi n GLN 83 Cb 0.61 -1.52 -0.01 0.00 1.02 0.00 0.00 30.24 30.34 1zzi n GLN 83 CO 0.00 0.00 0.00 -0.47 -1.01 0.00 0.00 177.06 175.58 1zzi s TYR 84 N -1.21 2.68 -0.73 1.08 5.04 -0.18 -4.88 117.35 119.15 1zzi s TYR 84 Ca 0.43 1.01 0.25 0.00 -2.44 0.00 0.00 57.07 56.32 1zzi s TYR 84 Cb 0.23 -4.03 0.47 0.00 0.35 0.00 0.00 41.96 38.98 1zzi s TYR 84 CO 0.28 -3.20 1.42 -1.13 -1.34 0.00 0.00 175.55 171.59 1zzi n SER 85 N 1.22 0.64 -0.81 4.32 3.41 -1.26 -4.91 113.62 116.23 1zzi n SER 85 Ca 0.04 0.13 0.00 0.00 -0.26 0.00 0.00 58.87 58.78 1zzi n SER 85 Cb 0.39 0.03 0.00 0.00 -0.26 0.00 0.00 64.21 64.37 1zzi n SER 85 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1zzi n GLY 86 N 1.37 1.88 3.83 5.00 0.00 -1.26 -5.10 105.19 110.92 1zzi n GLY 86 Ca 0.04 -2.07 -0.38 0.00 0.00 0.00 0.00 46.02 43.62 1zzi n GLY 86 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1zzi s LYS 87 N 1.01 3.98 0.27 1.61 1.02 -1.26 -4.96 119.74 121.41 1zzi s LYS 87 Ca 0.00 0.48 0.23 0.00 0.02 0.00 0.00 55.97 56.70 1zzi s LYS 87 Cb 0.00 -3.17 0.17 0.00 -0.52 0.00 0.00 37.83 34.31 1zzi s LYS 87 CO 0.00 0.64 1.27 0.74 -0.92 0.00 0.00 175.35 177.09 1zzi h PHE 88 N 4.43 0.00 0.00 3.18 0.04 -1.98 -3.52 116.94 119.09 1zzi h PHE 88 Ca -0.51 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.26 1zzi h PHE 88 Cb 1.21 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.36 1zzi h PHE 88 CO 0.69 0.00 0.00 1.97 -0.60 0.00 0.00 178.31 180.37