#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1zy1 s LEU 3 N 0.00 3.98 0.67 -2.67 1.43 -1.26 -5.07 118.68 115.75 1zy1 s LEU 3 Ca 0.00 0.24 -0.13 0.00 -1.03 0.00 0.00 54.13 53.21 1zy1 s LEU 3 Cb 0.00 -2.13 -0.00 0.00 0.03 0.00 0.00 46.19 44.09 1zy1 s LEU 3 CO 0.00 0.33 1.07 -2.16 0.23 0.00 0.00 176.35 175.82 1zy1 s PRO 4 N -1.35 2.96 -0.07 1.29 0.04 -1.26 -5.04 135.00 131.57 1zy1 s PRO 4 Ca 0.19 1.12 -0.12 0.00 0.04 0.00 0.00 61.00 62.22 1zy1 s PRO 4 Cb -0.12 -1.99 -0.05 0.00 0.04 0.00 0.00 34.50 32.38 1zy1 s PRO 4 CO 0.09 -1.09 0.31 -1.83 0.04 0.00 0.00 177.00 174.52 1zy1 s GLU 5 N -4.58 3.86 0.30 4.56 1.03 -1.26 -4.98 118.70 117.64 1zy1 s GLU 5 Ca 0.61 0.19 -0.30 0.00 0.03 0.00 0.00 54.97 55.51 1zy1 s GLU 5 Cb -0.16 -3.26 -0.12 0.00 -0.80 0.00 0.00 34.13 29.80 1zy1 s GLU 5 CO 0.47 0.61 1.58 -0.89 -1.33 0.00 0.00 175.26 175.70 1zy1 n ILE 6 N 2.28 1.15 -3.02 1.83 5.41 -1.26 -4.74 119.36 121.00 1zy1 n ILE 6 Ca -0.15 -0.29 -0.34 0.00 1.00 0.00 0.00 62.75 62.97 1zy1 n ILE 6 Cb 0.53 -1.95 -0.06 0.00 -0.71 0.00 0.00 39.64 37.45 1zy1 n ILE 6 CO 0.00 0.00 0.00 0.68 0.00 0.00 0.00 176.55 177.23 1zy1 s VAL 7 N -0.15 4.53 0.24 1.39 -7.23 0.11 -5.01 120.40 114.27 1zy1 s VAL 7 Ca 0.63 1.28 0.08 0.00 -1.81 0.00 0.00 61.98 62.15 1zy1 s VAL 7 Cb -0.50 -3.75 -0.04 0.00 0.56 0.00 0.00 36.38 32.65 1zy1 s VAL 7 CO 0.50 -0.03 0.08 0.00 -0.31 0.00 0.00 175.10 175.34 1zy1 s ALA 8 N -1.81 3.34 0.26 1.32 0.00 -1.26 -4.40 121.76 119.22 1zy1 s ALA 8 Ca 0.51 -1.49 -0.26 0.00 0.00 0.00 0.00 51.96 50.72 1zy1 s ALA 8 Cb -0.13 -1.04 -0.16 0.00 0.00 0.00 0.00 23.12 21.79 1zy1 s ALA 8 CO 0.19 0.32 0.38 0.43 0.00 0.00 0.00 175.76 177.07 1zy1 n SER 9 N -0.82 -1.77 0.00 0.00 7.64 -0.79 -2.70 113.62 115.19 1zy1 n SER 9 Ca -0.08 1.02 0.00 0.00 1.01 0.00 0.00 58.87 60.82 1zy1 n SER 9 Cb 0.58 -0.92 0.00 0.00 -1.01 0.00 0.00 64.21 62.85 1zy1 n SER 9 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1zy1 n GLY 10 N 2.10 3.34 3.60 0.23 0.00 -1.26 -5.04 105.19 108.16 1zy1 n GLY 10 Ca 0.16 -0.96 -0.43 0.00 0.00 0.00 0.00 46.02 44.79 1zy1 n GLY 10 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1zy1 s ASP 11 N 0.00 5.51 0.42 1.61 -1.08 -1.10 -4.83 116.67 117.20 1zy1 s ASP 11 Ca 0.00 1.66 0.33 0.00 -0.52 0.00 0.00 52.55 54.02 1zy1 s ASP 11 Cb 0.00 -2.51 1.39 0.00 -1.46 0.00 0.00 42.92 40.33 1zy1 s ASP 11 CO 0.00 -1.95 1.39 -2.65 0.52 0.00 0.00 175.17 172.48 1zy1 n PRO 12 N 8.69 -0.02 -0.16 4.34 -0.02 -1.26 -0.64 135.00 145.93 1zy1 n PRO 12 Ca 0.28 1.08 0.24 0.00 -2.02 0.00 0.00 63.50 63.08 1zy1 n PRO 12 Cb 0.46 -2.21 0.65 0.00 -0.02 0.00 0.00 33.50 32.37 1zy1 n PRO 12 CO 0.00 0.00 0.00 -0.24 1.98 0.00 0.00 175.50 177.24 1zy1 h VAL 13 N 0.00 0.64 0.00 -1.45 3.04 -1.91 0.14 116.25 116.70 1zy1 h VAL 13 Ca 0.80 -0.05 0.00 0.00 -1.01 0.00 0.00 66.70 66.44 1zy1 h VAL 13 Cb 2.74 0.49 0.00 0.00 -2.01 0.00 0.00 31.29 32.52 1zy1 h VAL 13 CO -0.32 0.02 -0.39 -0.07 -1.01 0.00 0.00 177.57 175.80 1zy1 h LEU 14 N 0.13 0.00 -3.38 3.16 4.07 -1.13 -3.35 115.31 114.82 1zy1 h LEU 14 Ca 0.40 -0.01 -0.16 0.00 0.08 0.00 0.00 57.88 58.20 1zy1 h LEU 14 Cb 1.37 0.00 -0.09 0.00 1.08 0.00 0.00 40.66 43.02 1zy1 h LEU 14 CO -0.06 0.00 0.00 1.41 -1.08 0.00 0.00 178.44 178.72 1zy1 n HIS 15 N -2.88 1.21 -4.10 1.13 8.25 0.02 -4.01 115.22 114.83 1zy1 n HIS 15 Ca 0.03 -1.41 -0.14 0.00 -0.26 0.00 0.00 57.72 55.93 1zy1 n HIS 15 Cb 0.53 -0.48 -0.13 0.00 1.12 0.00 0.00 29.99 31.03 1zy1 n HIS 15 CO 0.00 0.00 0.00 -1.21 0.64 0.00 0.00 176.34 175.77 1zy1 s GLU 16 N -3.13 0.46 0.14 -0.41 2.02 -1.09 -4.76 118.70 111.92 1zy1 s GLU 16 Ca 0.45 -0.48 -0.31 0.00 0.02 0.00 0.00 54.97 54.65 1zy1 s GLU 16 Cb 0.39 -0.32 -0.10 0.00 0.10 0.00 0.00 34.13 34.20 1zy1 s GLU 16 CO 0.03 0.07 1.75 0.21 0.02 0.00 0.00 175.26 177.35 1zy1 s LYS 17 N -0.89 4.15 0.49 1.61 2.20 -1.26 -3.80 119.74 122.25 1zy1 s LYS 17 Ca -0.05 2.53 -0.17 0.00 -0.36 0.00 0.00 55.97 57.92 1zy1 s LYS 17 Cb -0.06 -3.45 -0.09 0.00 -1.51 0.00 0.00 37.83 32.72 1zy1 s LYS 17 CO 0.00 -0.78 0.97 0.00 -0.36 0.00 0.00 175.35 175.18 1zy1 s ALA 18 N 2.26 3.07 0.27 3.13 0.00 -0.75 -4.99 121.76 124.75 1zy1 s ALA 18 Ca 0.77 0.22 -0.19 0.00 0.00 0.00 0.00 51.96 52.77 1zy1 s ALA 18 Cb -0.45 -3.12 -0.09 0.00 0.00 0.00 0.00 23.12 19.46 1zy1 s ALA 18 CO 0.34 -0.15 0.75 -0.98 0.00 0.00 0.00 175.76 175.73 1zy1 s ARG 19 N -3.86 4.19 0.52 0.00 1.70 0.12 -4.67 118.95 116.95 1zy1 s ARG 19 Ca 0.59 0.85 -0.21 0.00 -0.47 0.00 0.00 55.73 56.49 1zy1 s ARG 19 Cb -0.10 -2.70 -0.06 0.00 -0.57 0.00 0.00 34.95 31.53 1zy1 s ARG 19 CO 0.27 0.29 1.21 -1.21 -1.08 0.00 0.00 175.30 174.78 1zy1 s GLU 20 N -2.36 3.39 0.15 3.89 2.02 -1.26 -1.58 118.70 122.94 1zy1 s GLU 20 Ca 0.48 1.87 -0.14 0.00 0.02 0.00 0.00 54.97 57.19 1zy1 s GLU 20 Cb -0.14 -2.21 -0.07 0.00 0.10 0.00 0.00 34.13 31.81 1zy1 s GLU 20 CO 0.20 -0.88 0.55 0.54 0.02 0.00 0.00 175.26 175.68 1zy1 s VAL 21 N -1.53 4.85 0.03 2.63 0.11 -1.26 -4.83 120.40 120.40 1zy1 s VAL 21 Ca 0.70 0.83 -0.30 0.00 -2.93 0.00 0.00 61.98 60.27 1zy1 s VAL 21 Cb -0.31 -3.74 -0.05 0.00 -1.53 0.00 0.00 36.38 30.75 1zy1 s VAL 21 CO 0.36 0.24 1.30 -0.62 -3.33 0.00 0.00 175.10 173.05 1zy1 s ASP 22 N -1.72 6.95 0.46 3.54 2.15 -1.26 -4.89 116.67 121.91 1zy1 s ASP 22 Ca 0.38 2.06 -0.25 0.00 0.43 0.00 0.00 52.55 55.17 1zy1 s ASP 22 Cb -0.15 -2.57 -0.08 0.00 -0.30 0.00 0.00 42.92 39.82 1zy1 s ASP 22 CO 0.19 -0.61 1.44 -2.84 -0.17 0.00 0.00 175.17 173.19 1zy1 s PRO 23 N 1.74 3.63 0.00 4.34 0.02 -1.26 -1.50 135.00 141.97 1zy1 s PRO 23 Ca 0.61 2.45 0.00 0.00 0.02 0.00 0.00 61.00 64.07 1zy1 s PRO 23 Cb -0.30 -2.63 0.00 0.00 0.02 0.00 0.00 34.50 31.59 1zy1 s PRO 23 CO 0.27 -0.87 0.00 0.41 -0.33 0.00 0.00 177.00 176.48 1zy1 n GLY 24 N 0.58 2.48 0.05 0.52 0.00 -1.26 -4.57 105.19 102.98 1zy1 n GLY 24 Ca 0.05 -0.52 0.03 0.00 0.00 0.00 0.00 46.02 45.59 1zy1 n GLY 24 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1zy1 n GLU 25 N 0.00 0.04 -0.18 1.61 -0.58 -0.56 -0.70 120.64 120.27 1zy1 n GLU 25 Ca 0.00 0.49 -0.06 0.00 -0.42 0.00 0.00 57.16 57.17 1zy1 n GLU 25 Cb 0.00 -1.69 0.03 0.00 -0.57 0.00 0.00 31.44 29.21 1zy1 n GLU 25 CO 0.00 0.00 0.00 0.82 -0.48 0.00 0.00 177.13 177.47 1zy1 h ILE 26 N 0.00 1.09 0.00 -3.67 2.04 -1.75 -1.19 117.51 114.03 1zy1 h ILE 26 Ca 0.00 -0.22 -0.00 0.00 1.00 0.00 0.00 64.86 65.63 1zy1 h ILE 26 Cb 0.14 0.37 -0.00 0.00 -0.74 0.00 0.00 36.82 36.59 1zy1 h ILE 26 CO 0.00 0.12 -0.00 1.23 0.00 0.00 0.00 178.15 179.49 1zy1 h GLY 27 N 0.66 0.00 -2.91 5.37 0.00 -1.22 -3.33 103.07 101.64 1zy1 h GLY 27 Ca 0.20 0.00 -0.56 0.00 0.00 0.00 0.00 47.33 46.97 1zy1 h GLY 27 CO -0.07 0.00 -1.07 -1.26 0.00 0.00 0.00 176.54 174.14 1zy1 n SER 28 N -3.10 -3.46 0.40 0.19 2.88 -0.45 -4.69 113.62 105.39 1zy1 n SER 28 Ca -0.01 0.42 -0.17 0.00 -1.33 0.00 0.00 58.87 57.78 1zy1 n SER 28 Cb 0.21 -0.99 -0.09 0.00 -0.75 0.00 0.00 64.21 62.60 1zy1 n SER 28 CO 0.00 0.00 0.00 1.05 -1.23 0.00 0.00 175.04 174.86 1zy1 h GLU 29 N -0.70 -0.97 -0.45 -1.46 9.09 -1.88 -1.17 114.58 117.04 1zy1 h GLU 29 Ca -0.44 0.07 0.05 0.00 0.05 0.00 0.00 59.36 59.09 1zy1 h GLU 29 Cb 1.34 0.22 -0.07 0.00 -1.65 0.00 0.00 28.75 28.59 1zy1 h GLU 29 CO 0.35 -0.63 -0.46 0.00 0.05 0.00 0.00 179.01 178.32 1zy1 h ARG 30 N -1.14 -0.23 -0.54 1.06 3.08 -1.92 0.49 114.38 115.17 1zy1 h ARG 30 Ca -0.10 0.02 0.02 0.00 0.07 0.00 0.00 59.98 59.99 1zy1 h ARG 30 Cb 0.79 0.05 -0.03 0.00 0.08 0.00 0.00 29.97 30.87 1zy1 h ARG 30 CO 0.17 -0.16 0.36 0.82 -1.07 0.00 0.00 179.97 180.09 1zy1 h ILE 31 N -0.24 1.09 0.00 2.04 2.04 -1.82 0.10 117.51 120.71 1zy1 h ILE 31 Ca 0.08 -0.23 0.00 0.00 1.00 0.00 0.00 64.86 65.71 1zy1 h ILE 31 Cb 0.44 0.37 0.00 0.00 -0.74 0.00 0.00 36.82 36.89 1zy1 h ILE 31 CO -0.55 0.12 0.00 1.56 0.00 0.00 0.00 178.15 179.28 1zy1 h GLN 32 N 0.66 0.00 0.06 2.37 1.08 -0.29 -2.92 115.11 116.07 1zy1 h GLN 32 Ca 0.21 0.00 -0.00 0.00 -1.45 0.00 0.00 58.65 57.41 1zy1 h GLN 32 Cb 0.04 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.47 1zy1 h GLN 32 CO -0.05 0.00 -0.03 0.87 -0.95 0.00 0.00 178.83 178.67 1zy1 h LYS 33 N 0.00 -0.08 -0.32 1.46 6.56 0.24 -3.07 116.57 121.36 1zy1 h LYS 33 Ca 0.00 0.01 0.06 0.00 -1.06 0.00 0.00 60.65 59.65 1zy1 h LYS 33 Cb 0.81 0.02 -0.05 0.00 -0.57 0.00 0.00 32.23 32.44 1zy1 h LYS 33 CO 0.00 0.47 -0.01 0.82 -2.06 0.00 0.00 179.45 178.67 1zy1 h ILE 34 N -0.70 0.75 -0.89 1.86 2.04 -1.18 -0.78 117.51 118.61 1zy1 h ILE 34 Ca -0.01 -0.03 0.13 0.00 1.00 0.00 0.00 64.86 65.95 1zy1 h ILE 34 Cb 0.59 0.67 -0.07 0.00 -0.74 0.00 0.00 36.82 37.27 1zy1 h ILE 34 CO 0.01 0.01 0.57 0.40 0.00 0.00 0.00 178.15 179.15 1zy1 h ILE 35 N 0.07 0.88 -0.04 -0.67 2.04 -1.60 0.11 117.51 118.31 1zy1 h ILE 35 Ca 0.15 -0.26 -0.01 0.00 1.00 0.00 0.00 64.86 65.74 1zy1 h ILE 35 Cb 0.21 0.05 -0.00 0.00 -0.74 0.00 0.00 36.82 36.34 1zy1 h ILE 35 CO -0.27 0.14 -0.00 0.44 0.00 0.00 0.00 178.15 178.46 1zy1 h ASP 36 N 0.76 0.08 0.13 1.72 3.32 -1.09 -2.31 116.42 119.03 1zy1 h ASP 36 Ca 0.43 -0.31 0.02 0.00 0.02 0.00 0.00 57.03 57.19 1zy1 h ASP 36 Cb 0.60 -0.02 -0.04 0.00 0.22 0.00 0.00 39.33 40.09 1zy1 h ASP 36 CO -0.20 0.37 -0.31 0.44 -1.72 0.00 0.00 179.24 177.83 1zy1 h ASP 37 N -0.22 -0.88 -0.31 6.45 5.19 -0.08 -0.68 116.42 125.89 1zy1 h ASP 37 Ca 0.01 0.10 0.06 0.00 -0.62 0.00 0.00 57.03 56.58 1zy1 h ASP 37 Cb 0.33 0.33 -0.08 0.00 0.18 0.00 0.00 39.33 40.09 1zy1 h ASP 37 CO 0.00 -0.40 -0.44 0.24 -3.12 0.00 0.00 179.24 175.52 1zy1 h MET 38 N -0.53 -0.38 -0.97 3.56 2.86 -0.85 0.10 114.93 118.72 1zy1 h MET 38 Ca 0.03 0.03 0.19 0.00 -2.06 0.00 0.00 59.70 57.88 1zy1 h MET 38 Cb 0.56 0.09 -0.11 0.00 0.06 0.00 0.00 31.60 32.20 1zy1 h MET 38 CO -0.17 -0.25 0.57 0.82 1.06 0.00 0.00 176.91 178.93 1zy1 h ILE 39 N -0.39 0.68 0.11 -1.22 2.04 -1.12 0.19 117.51 117.81 1zy1 h ILE 39 Ca 0.11 -0.24 -0.01 0.00 1.00 0.00 0.00 64.86 65.72 1zy1 h ILE 39 Cb 0.60 -0.09 0.00 0.00 -0.74 0.00 0.00 36.82 36.60 1zy1 h ILE 39 CO -0.52 0.13 -0.05 0.11 0.00 0.00 0.00 178.15 177.82 1zy1 h LYS 40 N 0.71 -0.15 -0.38 2.37 1.57 0.66 -2.60 116.57 118.74 1zy1 h LYS 40 Ca 0.57 0.01 0.00 0.00 -1.87 0.00 0.00 60.65 59.36 1zy1 h LYS 40 Cb 0.89 0.03 -0.02 0.00 0.08 0.00 0.00 32.23 33.22 1zy1 h LYS 40 CO -0.40 0.09 0.24 0.28 -0.57 0.00 0.00 179.45 179.09 1zy1 h VAL 41 N -0.37 1.11 -0.27 0.50 2.07 0.14 0.78 116.25 120.21 1zy1 h VAL 41 Ca -0.02 -0.24 0.08 0.00 0.82 0.00 0.00 66.70 67.34 1zy1 h VAL 41 Cb 0.30 0.59 -0.01 0.00 -1.52 0.00 0.00 31.29 30.65 1zy1 h VAL 41 CO 0.03 0.11 0.21 -0.03 0.02 0.00 0.00 177.57 177.90 1zy1 h MET 42 N 0.51 0.00 0.02 1.57 1.85 -0.67 -1.26 114.93 116.95 1zy1 h MET 42 Ca 0.14 0.00 -0.32 0.00 -0.61 0.00 0.00 59.70 58.91 1zy1 h MET 42 Cb -0.02 0.00 -0.05 0.00 0.43 0.00 0.00 31.60 31.95 1zy1 h MET 42 CO -0.03 0.00 -1.93 0.54 -0.40 0.00 0.00 176.91 175.09 1zy1 n ARG 43 N -4.35 0.66 -0.10 0.39 1.74 -0.73 -1.02 116.66 113.25 1zy1 n ARG 43 Ca 0.04 0.22 -0.10 0.00 -0.77 0.00 0.00 57.85 57.24 1zy1 n ARG 43 Cb 0.36 -1.71 -0.02 0.00 -1.02 0.00 0.00 32.46 30.07 1zy1 n ARG 43 CO 0.00 0.00 0.00 1.25 -1.52 0.00 0.00 177.63 177.36 1zy1 h LEU 44 N 0.01 0.42 -9.51 0.55 5.85 0.16 -3.38 115.31 109.41 1zy1 h LEU 44 Ca -0.37 -0.14 -0.65 0.00 0.84 0.00 0.00 57.88 57.56 1zy1 h LEU 44 Cb 2.06 -0.11 -0.09 0.00 0.37 0.00 0.00 40.66 42.89 1zy1 h LEU 44 CO 0.06 0.44 -0.50 0.00 -0.34 0.00 0.00 178.44 178.11 1zy1 s ALA 45 N -5.67 3.77 -0.78 1.25 0.00 -0.59 -4.96 121.76 114.78 1zy1 s ALA 45 Ca -0.13 -0.67 -0.25 0.00 0.00 0.00 0.00 51.96 50.91 1zy1 s ALA 45 Cb 0.09 -1.97 -0.14 0.00 0.00 0.00 0.00 23.12 21.10 1zy1 s ALA 45 CO 0.73 0.50 2.41 -2.30 0.00 0.00 0.00 175.76 177.10 1zy1 n PRO 46 N 2.38 0.57 -4.34 0.00 -0.02 -1.26 -4.63 135.00 127.70 1zy1 n PRO 46 Ca -0.19 -0.73 -0.24 0.00 -2.02 0.00 0.00 63.50 60.32 1zy1 n PRO 46 Cb 0.54 -3.53 -0.12 0.00 -0.02 0.00 0.00 33.50 30.37 1zy1 n PRO 46 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 1zy1 s GLY 47 N 10.46 1.43 0.00 -1.23 0.00 -0.19 -5.04 107.32 112.76 1zy1 s GLY 47 Ca 0.96 -1.45 0.18 0.00 0.00 0.00 0.00 44.72 44.41 1zy1 s GLY 47 CO 0.12 -1.47 0.92 3.33 0.00 0.00 0.00 173.10 176.01 1zy1 n VAL 48 N 0.59 0.00 -3.90 1.40 0.24 -1.26 -4.61 118.33 110.78 1zy1 n VAL 48 Ca -0.15 -0.32 -0.08 0.00 -2.04 0.00 0.00 64.34 61.74 1zy1 n VAL 48 Cb 0.55 1.22 -0.04 0.00 -1.47 0.00 0.00 33.84 34.10 1zy1 n VAL 48 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 1zy1 s GLY 49 N -2.03 0.20 -0.29 7.63 0.00 -1.26 -1.90 107.32 109.67 1zy1 s GLY 49 Ca 0.15 -0.56 -0.20 0.00 0.00 0.00 0.00 44.72 44.11 1zy1 s GLY 49 CO 0.44 -0.37 1.20 -2.27 0.00 0.00 0.00 173.10 172.10 1zy1 s LEU 50 N -2.96 -0.24 0.03 0.66 1.98 -0.32 -4.88 118.68 112.95 1zy1 s LEU 50 Ca 0.16 0.41 0.07 0.00 -2.89 0.00 0.00 54.13 51.88 1zy1 s LEU 50 Cb -0.03 1.40 -0.03 0.00 0.66 0.00 0.00 46.19 48.19 1zy1 s LEU 50 CO 0.06 -0.07 -0.17 0.00 -1.89 0.00 0.00 176.35 174.28 1zy1 s ALA 51 N 0.69 2.63 0.26 5.97 0.00 -1.26 -1.33 121.76 128.72 1zy1 s ALA 51 Ca -0.02 -1.17 -0.09 0.00 0.00 0.00 0.00 51.96 50.68 1zy1 s ALA 51 Cb -0.04 -0.78 0.41 0.00 0.00 0.00 0.00 23.12 22.72 1zy1 s ALA 51 CO -0.12 0.57 1.52 0.00 0.00 0.00 0.00 175.76 177.73 1zy1 n ALA 52 N 1.59 0.18 -0.07 0.00 0.00 -0.40 0.29 120.51 122.10 1zy1 n ALA 52 Ca -0.16 1.05 0.24 0.00 0.00 0.00 0.00 53.44 54.57 1zy1 n ALA 52 Cb 0.52 -0.61 0.71 0.00 0.00 0.00 0.00 19.45 20.07 1zy1 n ALA 52 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 1zy1 h PRO 53 N 0.00 0.00 0.00 0.00 0.11 -1.50 0.49 132.00 131.11 1zy1 h PRO 53 Ca 0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.56 1zy1 h PRO 53 Cb 0.69 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.80 1zy1 h PRO 53 CO -1.00 0.00 0.00 1.96 -0.21 0.00 0.00 178.00 178.75 1zy1 h GLN 54 N 0.00 0.00 -0.25 1.05 4.20 -0.46 0.15 115.11 119.80 1zy1 h GLN 54 Ca 0.32 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.03 1zy1 h GLN 54 Cb 1.29 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.07 1zy1 h GLN 54 CO -0.00 0.00 0.00 0.44 -0.67 0.00 0.00 178.83 178.60 1zy1 n ILE 55 N -2.86 1.24 -0.41 2.54 -5.35 0.06 0.04 119.36 114.60 1zy1 n ILE 55 Ca -0.02 -1.19 0.00 0.00 -0.27 0.00 0.00 62.75 61.27 1zy1 n ILE 55 Cb 0.11 0.35 0.00 0.00 -1.74 0.00 0.00 39.64 38.37 1zy1 n ILE 55 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1zy1 n GLY 56 N 0.08 0.79 3.45 3.28 0.00 0.53 -4.87 105.19 108.46 1zy1 n GLY 56 Ca 0.11 -0.04 -0.41 0.00 0.00 0.00 0.00 46.02 45.68 1zy1 n GLY 56 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1zy1 s VAL 57 N -2.00 5.00 0.00 1.61 1.01 -0.55 -4.92 120.40 120.55 1zy1 s VAL 57 Ca 0.00 -0.55 0.00 0.00 0.00 0.00 0.00 61.98 61.43 1zy1 s VAL 57 Cb 0.00 -3.69 0.00 0.00 0.00 0.00 0.00 36.38 32.69 1zy1 s VAL 57 CO 0.00 -0.15 1.13 -0.81 0.00 0.00 0.00 175.10 175.27 1zy1 n PRO 58 N 5.08 0.61 -4.26 2.72 -0.04 -1.26 -1.57 135.00 136.28 1zy1 n PRO 58 Ca -0.12 0.00 -0.23 0.00 -0.04 0.00 0.00 63.50 63.11 1zy1 n PRO 58 Cb 0.48 -1.19 -0.07 0.00 -0.04 0.00 0.00 33.50 32.68 1zy1 n PRO 58 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1zy1 s LEU 59 N 0.00 3.31 -1.06 1.53 1.43 -1.26 0.11 118.68 122.74 1zy1 s LEU 59 Ca 0.00 -0.55 -0.16 0.00 -1.03 0.00 0.00 54.13 52.39 1zy1 s LEU 59 Cb 0.00 -1.85 0.15 0.00 0.03 0.00 0.00 46.19 44.53 1zy1 s LEU 59 CO 0.00 0.01 1.27 -0.13 0.23 0.00 0.00 176.35 177.72 1zy1 s ARG 60 N -3.61 3.85 -0.08 1.70 0.52 -0.61 -4.41 118.95 116.30 1zy1 s ARG 60 Ca 0.31 -2.20 -0.04 0.00 -0.52 0.00 0.00 55.73 53.28 1zy1 s ARG 60 Cb -0.07 -4.97 0.04 0.00 0.52 0.00 0.00 34.95 30.47 1zy1 s ARG 60 CO 0.21 -1.75 0.19 0.42 0.02 0.00 0.00 175.30 174.38 1zy1 s ILE 61 N 2.02 -0.09 0.07 1.52 1.01 -1.26 0.77 121.20 125.25 1zy1 s ILE 61 Ca 0.37 0.19 0.06 0.00 0.00 0.00 0.00 60.65 61.27 1zy1 s ILE 61 Cb -0.04 -0.31 -0.03 0.00 0.01 0.00 0.00 42.46 42.09 1zy1 s ILE 61 CO -0.05 0.08 -0.15 0.27 0.00 0.00 0.00 174.94 175.09 1zy1 s ILE 62 N 1.38 1.23 -0.04 2.92 -4.36 -0.18 -1.27 121.20 120.88 1zy1 s ILE 62 Ca -0.07 -1.29 0.02 0.00 -0.26 0.00 0.00 60.65 59.05 1zy1 s ILE 62 Cb -0.11 -1.15 0.01 0.00 1.25 0.00 0.00 42.46 42.46 1zy1 s ILE 62 CO -0.07 -0.14 -0.08 0.68 0.24 0.00 0.00 174.94 175.57 1zy1 s VAL 63 N -1.16 0.74 0.09 8.37 -7.23 -0.44 -0.90 120.40 119.86 1zy1 s VAL 63 Ca 0.00 -0.29 0.02 0.00 -1.81 0.00 0.00 61.98 59.90 1zy1 s VAL 63 Cb -0.10 -0.69 -0.04 0.00 0.56 0.00 0.00 36.38 36.11 1zy1 s VAL 63 CO 0.02 0.25 -0.07 -1.48 -0.31 0.00 0.00 175.10 173.52 1zy1 s LEU 64 N 0.54 2.48 -0.30 1.32 2.34 -0.43 -1.18 118.68 123.45 1zy1 s LEU 64 Ca -0.08 -0.95 -0.20 0.00 0.06 0.00 0.00 54.13 52.96 1zy1 s LEU 64 Cb -0.12 -0.07 0.20 0.00 -0.56 0.00 0.00 46.19 45.64 1zy1 s LEU 64 CO 0.01 -0.44 1.34 -0.70 -1.06 0.00 0.00 176.35 175.50 1zy1 s GLU 65 N -3.55 0.05 -0.24 1.48 2.12 -0.80 0.27 118.70 118.03 1zy1 s GLU 65 Ca 0.09 0.07 0.01 0.00 0.36 0.00 0.00 54.97 55.50 1zy1 s GLU 65 Cb 0.03 0.02 0.06 0.00 0.26 0.00 0.00 34.13 34.50 1zy1 s GLU 65 CO -0.04 -0.01 -0.06 0.34 -0.54 0.00 0.00 175.26 174.95 1zy1 s ASP 66 N 0.60 3.92 0.37 -1.70 -1.08 -0.65 -4.56 116.67 113.58 1zy1 s ASP 66 Ca -0.01 -1.20 -0.25 0.00 -0.52 0.00 0.00 52.55 50.56 1zy1 s ASP 66 Cb -0.03 -1.22 -0.09 0.00 -1.46 0.00 0.00 42.92 40.11 1zy1 s ASP 66 CO -0.12 -0.23 1.05 -0.89 0.52 0.00 0.00 175.17 175.50 1zy1 s THR 67 N 1.36 3.70 -1.94 1.71 2.01 -1.26 -1.33 115.64 119.88 1zy1 s THR 67 Ca -0.06 1.37 0.15 0.00 0.31 0.00 0.00 61.69 63.46 1zy1 s THR 67 Cb -0.19 -3.74 0.42 0.00 0.01 0.00 0.00 72.50 69.00 1zy1 s THR 67 CO -0.06 0.08 1.34 0.29 -0.69 0.00 0.00 174.62 175.58 1zy1 n LYS 68 N 0.18 0.45 -0.09 4.92 5.02 -1.26 -1.79 118.16 125.60 1zy1 n LYS 68 Ca 0.04 0.02 -0.23 0.00 -2.02 0.00 0.00 58.31 56.12 1zy1 n LYS 68 Cb 0.49 -1.50 -0.12 0.00 -0.02 0.00 0.00 35.03 33.88 1zy1 n LYS 68 CO 0.00 0.00 0.00 -1.91 -0.52 0.00 0.00 177.40 174.97 1zy1 n GLU 69 N -1.03 0.65 0.11 1.97 2.13 -1.26 -3.17 120.64 120.04 1zy1 n GLU 69 Ca 0.11 0.31 -0.15 0.00 0.66 0.00 0.00 57.16 58.09 1zy1 n GLU 69 Cb 0.06 -1.62 -0.09 0.00 0.27 0.00 0.00 31.44 30.06 1zy1 n GLU 69 CO 0.00 0.00 0.00 1.88 -0.41 0.00 0.00 177.13 178.60 1zy1 h TYR 70 N -0.44 -1.37 -0.78 4.31 0.99 -1.73 -2.13 116.97 115.82 1zy1 h TYR 70 Ca -0.51 0.03 0.18 0.00 2.00 0.00 0.00 58.73 60.44 1zy1 h TYR 70 Cb 1.73 0.58 -0.13 0.00 1.00 0.00 0.00 36.73 39.92 1zy1 h TYR 70 CO 0.03 -0.54 0.13 0.82 -0.00 0.00 0.00 178.16 178.60 1zy1 h ILE 71 N -0.69 0.40 -0.99 -2.88 2.04 -1.67 -1.48 117.51 112.24 1zy1 h ILE 71 Ca -0.01 -0.07 0.34 0.00 1.00 0.00 0.00 64.86 66.12 1zy1 h ILE 71 Cb 0.69 0.19 -0.16 0.00 -0.74 0.00 0.00 36.82 36.80 1zy1 h ILE 71 CO -0.24 0.03 0.52 0.77 0.00 0.00 0.00 178.15 179.23 1zy1 h SER 72 N 0.19 0.39 -0.32 1.72 4.64 -1.34 -2.22 113.55 116.62 1zy1 h SER 72 Ca 0.45 0.21 -0.26 0.00 -0.47 0.00 0.00 61.79 61.73 1zy1 h SER 72 Cb 0.82 0.19 -0.09 0.00 -0.31 0.00 0.00 62.40 63.01 1zy1 h SER 72 CO -0.60 -0.22 -0.07 -1.22 -0.87 0.00 0.00 176.83 173.84 1zy1 n TYR 73 N -5.13 0.54 -3.63 4.77 4.01 -0.56 -4.85 117.16 112.31 1zy1 n TYR 73 Ca 0.32 -1.59 -0.12 0.00 -0.16 0.00 0.00 57.90 56.36 1zy1 n TYR 73 Cb 1.03 -1.34 -0.05 0.00 -0.31 0.00 0.00 39.34 38.67 1zy1 n TYR 73 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1zy1 s ALA 74 N -0.07 -1.01 -0.03 -0.72 0.00 -0.84 -5.11 121.76 113.99 1zy1 s ALA 74 Ca 0.53 0.15 -0.33 0.00 0.00 0.00 0.00 51.96 52.31 1zy1 s ALA 74 Cb 0.29 0.55 -0.11 0.00 0.00 0.00 0.00 23.12 23.84 1zy1 s ALA 74 CO -0.06 -0.57 1.91 -2.30 0.00 0.00 0.00 175.76 174.74 1zy1 n PRO 75 N 0.09 2.45 -0.12 0.00 -0.02 -1.26 -4.84 135.00 131.29 1zy1 n PRO 75 Ca -0.17 0.90 0.08 0.00 -2.02 0.00 0.00 63.50 62.29 1zy1 n PRO 75 Cb 0.62 -2.78 0.42 0.00 -0.02 0.00 0.00 33.50 31.74 1zy1 n PRO 75 CO 0.00 0.00 0.00 1.57 1.98 0.00 0.00 175.50 179.05 1zy1 h LYS 76 N 9.60 0.58 -0.84 -0.52 -0.00 -1.93 0.18 116.57 123.64 1zy1 h LYS 76 Ca -0.49 -0.03 0.05 0.00 -0.00 0.00 0.00 60.65 60.18 1zy1 h LYS 76 Cb 1.26 -0.13 -0.06 0.00 -0.00 0.00 0.00 32.23 33.30 1zy1 h LYS 76 CO 0.94 0.38 0.53 1.05 -0.00 0.00 0.00 179.45 182.35 1zy1 h GLU 77 N 0.60 0.96 0.16 0.07 -0.00 -2.00 -0.69 114.58 113.69 1zy1 h GLU 77 Ca 0.28 -0.06 -0.01 0.00 -0.00 0.00 0.00 59.36 59.58 1zy1 h GLU 77 Cb 0.34 -0.22 0.00 0.00 -0.00 0.00 0.00 28.75 28.87 1zy1 h GLU 77 CO -0.09 0.64 -0.08 1.49 -0.00 0.00 0.00 179.01 180.97 1zy1 h GLU 78 N 0.99 -0.21 -0.49 1.06 4.81 -1.20 -2.44 114.58 117.10 1zy1 h GLU 78 Ca 0.35 0.01 0.14 0.00 -0.13 0.00 0.00 59.36 59.74 1zy1 h GLU 78 Cb 0.10 0.05 -0.02 0.00 0.63 0.00 0.00 28.75 29.51 1zy1 h GLU 78 CO -0.15 0.22 0.59 0.82 -0.73 0.00 0.00 179.01 179.76 1zy1 h ILE 79 N -0.79 0.26 0.01 2.32 2.04 -0.63 -0.49 117.51 120.23 1zy1 h ILE 79 Ca -0.02 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 65.84 1zy1 h ILE 79 Cb 0.53 0.52 0.00 0.00 -0.74 0.00 0.00 36.82 37.12 1zy1 h ILE 79 CO 0.04 0.00 -0.00 0.25 0.00 0.00 0.00 178.15 178.43 1zy1 h LEU 80 N 0.00 -0.01 -0.92 1.44 5.85 -0.96 -1.62 115.31 119.09 1zy1 h LEU 80 Ca 0.23 0.00 0.25 0.00 0.84 0.00 0.00 57.88 59.20 1zy1 h LEU 80 Cb 1.42 0.00 -0.16 0.00 0.37 0.00 0.00 40.66 42.28 1zy1 h LEU 80 CO -0.00 -0.00 0.08 0.00 -0.34 0.00 0.00 178.44 178.17 1zy1 h ALA 81 N -1.99 1.14 -0.00 1.25 0.00 -0.73 0.91 119.26 119.84 1zy1 h ALA 81 Ca -0.00 0.30 0.00 0.00 0.00 0.00 0.00 54.91 55.21 1zy1 h ALA 81 Cb 0.01 0.50 0.00 0.00 0.00 0.00 0.00 17.79 18.30 1zy1 h ALA 81 CO 0.00 -0.53 0.00 1.04 0.00 0.00 0.00 179.25 179.76 1zy1 n GLN 82 N -5.40 1.01 -4.11 0.00 6.02 -0.31 -4.86 117.38 109.72 1zy1 n GLN 82 Ca 0.21 -0.02 -0.32 0.00 -0.01 0.00 0.00 57.00 56.87 1zy1 n GLN 82 Cb 0.70 -1.26 -0.02 0.00 1.02 0.00 0.00 30.24 30.68 1zy1 n GLN 82 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 177.06 176.44 1zy1 n GLU 83 N -0.74 -3.29 -2.96 -1.09 1.02 0.32 -2.27 120.64 111.63 1zy1 n GLU 83 Ca 0.12 0.39 -0.44 0.00 -0.02 0.00 0.00 57.16 57.21 1zy1 n GLU 83 Cb 0.06 -4.87 -0.04 0.00 -0.02 0.00 0.00 31.44 26.57 1zy1 n GLU 83 CO 0.00 0.00 0.00 0.50 1.18 0.00 0.00 177.13 178.81 1zy1 s ARG 84 N -6.80 3.26 0.07 3.49 3.52 -0.62 -2.81 118.95 119.06 1zy1 s ARG 84 Ca 0.45 -1.31 0.02 0.00 -0.13 0.00 0.00 55.73 54.76 1zy1 s ARG 84 Cb -0.24 -4.46 -0.04 0.00 -1.56 0.00 0.00 34.95 28.65 1zy1 s ARG 84 CO 0.91 -1.71 0.13 1.03 -0.81 0.00 0.00 175.30 174.85 1zy1 s ARG 85 N 3.13 3.12 0.52 5.12 0.52 -1.26 -4.91 118.95 125.19 1zy1 s ARG 85 Ca 0.22 -0.58 -0.17 0.00 -0.52 0.00 0.00 55.73 54.68 1zy1 s ARG 85 Cb -0.15 -2.86 -0.08 0.00 0.52 0.00 0.00 34.95 32.38 1zy1 s ARG 85 CO 0.02 0.59 1.00 -3.38 0.02 0.00 0.00 175.30 173.55 1zy1 s HIS 86 N -1.43 3.30 0.05 -0.53 -3.43 -1.26 -4.81 115.29 107.17 1zy1 s HIS 86 Ca 0.31 1.50 -0.13 0.00 -0.80 0.00 0.00 55.06 55.95 1zy1 s HIS 86 Cb -0.13 -2.86 0.02 0.00 -1.43 0.00 0.00 32.58 28.18 1zy1 s HIS 86 CO 0.24 -0.52 0.28 -0.59 -2.00 0.00 0.00 174.74 172.16 1zy1 s PHE 87 N -2.48 -0.07 0.73 0.38 -0.71 -0.44 -4.97 117.98 110.42 1zy1 s PHE 87 Ca 0.61 -0.09 -0.11 0.00 -1.04 0.00 0.00 56.93 56.30 1zy1 s PHE 87 Cb -0.11 0.07 0.03 0.00 -1.21 0.00 0.00 43.02 41.80 1zy1 s PHE 87 CO 0.29 -0.50 1.07 -0.51 -1.34 0.00 0.00 175.22 174.23 1zy1 s ASP 88 N -2.11 5.06 0.37 1.98 1.01 -1.26 -1.64 116.67 120.08 1zy1 s ASP 88 Ca -0.04 1.55 -0.23 0.00 0.71 0.00 0.00 52.55 54.53 1zy1 s ASP 88 Cb -0.01 -2.38 -0.14 0.00 1.01 0.00 0.00 42.92 41.41 1zy1 s ASP 88 CO -0.04 -1.64 0.51 -0.11 0.21 0.00 0.00 175.17 174.10 1zy1 n LEU 89 N -3.25 -0.52 -3.81 1.23 7.94 -1.26 -4.62 117.00 112.71 1zy1 n LEU 89 Ca 0.07 0.95 -0.13 0.00 -1.11 0.00 0.00 56.01 55.80 1zy1 n LEU 89 Cb 0.54 -1.07 -0.13 0.00 0.53 0.00 0.00 43.42 43.29 1zy1 n LEU 89 CO 0.56 -2.99 -0.23 -0.32 -1.11 0.00 0.00 177.39 173.30 1zy1 s MET 90 N -1.40 0.13 -0.05 1.96 -2.45 0.14 -4.96 119.30 112.67 1zy1 s MET 90 Ca 0.62 0.21 0.03 0.00 -1.25 0.00 0.00 55.69 55.30 1zy1 s MET 90 Cb -0.66 0.01 0.00 0.00 1.25 0.00 0.00 34.83 35.43 1zy1 s MET 90 CO 0.59 -0.05 -0.15 0.08 1.05 0.00 0.00 175.02 176.54 1zy1 s VAL 91 N 0.30 1.26 -0.05 10.11 1.01 -1.26 -1.31 120.40 130.46 1zy1 s VAL 91 Ca -0.02 -0.59 -0.01 0.00 0.00 0.00 0.00 61.98 61.35 1zy1 s VAL 91 Cb -0.03 -1.12 0.03 0.00 0.00 0.00 0.00 36.38 35.26 1zy1 s VAL 91 CO -0.01 0.38 0.02 -0.04 0.00 0.00 0.00 175.10 175.45 1zy1 s MET 92 N 0.32 0.27 -0.03 2.72 -1.94 -0.08 -3.88 119.30 116.69 1zy1 s MET 92 Ca -0.09 0.21 -0.02 0.00 -1.71 0.00 0.00 55.69 54.07 1zy1 s MET 92 Cb -0.13 -0.68 -0.04 0.00 2.01 0.00 0.00 34.83 35.98 1zy1 s MET 92 CO 0.03 -0.28 0.12 0.14 -0.01 0.00 0.00 175.02 175.02 1zy1 s VAL 93 N 1.84 5.08 -1.53 -6.03 -7.23 -0.52 -1.01 120.40 110.99 1zy1 s VAL 93 Ca 0.02 -0.21 -0.10 0.00 -1.81 0.00 0.00 61.98 59.87 1zy1 s VAL 93 Cb -0.12 -3.31 0.08 0.00 0.56 0.00 0.00 36.38 33.58 1zy1 s VAL 93 CO -0.04 0.40 0.75 0.59 -0.31 0.00 0.00 175.10 176.50 1zy1 n ASN 94 N 1.29 -2.81 -4.76 4.85 4.13 0.23 -1.90 115.26 116.30 1zy1 n ASN 94 Ca -0.14 -0.91 -0.33 0.00 1.68 0.00 0.00 54.58 54.88 1zy1 n ASN 94 Cb 0.53 -3.34 0.06 0.00 -1.54 0.00 0.00 39.78 35.50 1zy1 n ASN 94 CO 0.00 0.00 0.00 -2.16 0.28 0.00 0.00 177.26 175.38 1zy1 s PRO 95 N -6.63 2.57 -0.15 3.52 0.04 -1.26 -4.42 135.00 128.67 1zy1 s PRO 95 Ca 0.45 1.38 -0.04 0.00 0.04 0.00 0.00 61.00 62.84 1zy1 s PRO 95 Cb -0.24 -1.92 0.05 0.00 0.04 0.00 0.00 34.50 32.43 1zy1 s PRO 95 CO 0.87 -1.43 0.06 0.08 0.04 0.00 0.00 177.00 176.63 1zy1 s VAL 96 N -2.44 0.11 -0.01 -0.36 1.01 -0.72 -4.96 120.40 113.03 1zy1 s VAL 96 Ca 0.66 -0.17 -0.03 0.00 0.00 0.00 0.00 61.98 62.44 1zy1 s VAL 96 Cb -0.21 -0.64 -0.04 0.00 0.00 0.00 0.00 36.38 35.50 1zy1 s VAL 96 CO 0.45 -0.16 0.19 -0.22 0.00 0.00 0.00 175.10 175.37 1zy1 s LEU 97 N 2.06 4.37 -0.16 3.92 0.20 -1.26 -1.56 118.68 126.25 1zy1 s LEU 97 Ca 0.02 0.37 -0.11 0.00 0.69 0.00 0.00 54.13 55.10 1zy1 s LEU 97 Cb -0.15 -2.63 0.05 0.00 -0.43 0.00 0.00 46.19 43.02 1zy1 s LEU 97 CO -0.08 0.26 0.39 -1.59 -0.29 0.00 0.00 176.35 175.04 1zy1 s LYS 98 N -1.93 0.41 0.47 1.98 0.00 -0.70 -5.01 119.74 114.96 1zy1 s LYS 98 Ca 0.27 0.67 -0.23 0.00 0.00 0.00 0.00 55.97 56.68 1zy1 s LYS 98 Cb -0.13 0.08 -0.07 0.00 0.00 0.00 0.00 37.83 37.71 1zy1 s LYS 98 CO 0.19 -0.11 1.20 -1.83 0.00 0.00 0.00 175.35 174.79 1zy1 s GLU 99 N 0.87 3.65 0.00 1.78 1.03 -1.26 -1.06 118.70 123.71 1zy1 s GLU 99 Ca -0.05 1.86 0.25 0.00 0.03 0.00 0.00 54.97 57.06 1zy1 s GLU 99 Cb -0.06 -2.39 0.51 0.00 -0.80 0.00 0.00 34.13 31.39 1zy1 s GLU 99 CO -0.07 -0.66 1.41 0.54 -1.33 0.00 0.00 175.26 175.15 1zy1 n ARG 100 N -0.57 0.61 -3.63 -4.83 1.74 0.03 -4.80 116.66 105.22 1zy1 n ARG 100 Ca 0.08 -0.40 -0.03 0.00 -0.77 0.00 0.00 57.85 56.72 1zy1 n ARG 100 Cb 0.47 -1.49 -0.03 0.00 -1.02 0.00 0.00 32.46 30.39 1zy1 n ARG 100 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 1zy1 s SER 101 N -2.66 -0.07 0.00 0.55 1.04 -1.25 -5.00 113.70 106.31 1zy1 s SER 101 Ca 0.19 0.04 0.00 0.00 0.48 0.00 0.00 55.95 56.65 1zy1 s SER 101 Cb 0.18 0.06 0.00 0.00 0.10 0.00 0.00 66.02 66.37 1zy1 s SER 101 CO 0.60 -0.09 0.74 -0.46 0.98 0.00 0.00 173.24 175.01 1zy1 n ASN 102 N 0.22 0.11 -4.70 7.02 6.94 -1.26 -4.61 115.26 118.99 1zy1 n ASN 102 Ca 0.01 -1.60 -0.42 0.00 -0.02 0.00 0.00 54.58 52.55 1zy1 n ASN 102 Cb 0.58 -0.06 -0.03 0.00 -2.36 0.00 0.00 39.78 37.91 1zy1 n ASN 102 CO 0.00 0.00 0.00 -0.75 -1.03 0.00 0.00 177.26 175.48 1zy1 s LYS 103 N -1.86 4.23 0.29 -3.83 2.20 -1.26 -4.92 119.74 114.60 1zy1 s LYS 103 Ca 0.00 2.23 0.07 0.00 -0.36 0.00 0.00 55.97 57.90 1zy1 s LYS 103 Cb 0.00 -3.48 -0.06 0.00 -1.51 0.00 0.00 37.83 32.78 1zy1 s LYS 103 CO 0.00 -0.65 -0.05 0.15 -0.36 0.00 0.00 175.35 174.44 1zy1 s LYS 104 N 2.17 1.58 0.05 4.03 1.02 -1.26 0.90 119.74 128.23 1zy1 s LYS 104 Ca 0.70 -1.81 -0.00 0.00 0.02 0.00 0.00 55.97 54.88 1zy1 s LYS 104 Cb -0.38 -1.16 -0.04 0.00 -0.52 0.00 0.00 37.83 35.73 1zy1 s LYS 104 CO 0.31 0.02 -0.03 0.00 -0.92 0.00 0.00 175.35 174.72 1zy1 s ALA 105 N -3.01 0.47 -0.16 5.17 0.00 0.21 -4.34 121.76 120.09 1zy1 s ALA 105 Ca 0.30 -1.08 -0.01 0.00 0.00 0.00 0.00 51.96 51.18 1zy1 s ALA 105 Cb 0.04 0.23 0.04 0.00 0.00 0.00 0.00 23.12 23.43 1zy1 s ALA 105 CO 0.12 -0.30 -0.04 -1.17 0.00 0.00 0.00 175.76 174.37 1zy1 s LEU 106 N -2.58 1.52 0.25 0.00 0.20 -0.26 -0.97 118.68 116.83 1zy1 s LEU 106 Ca 0.02 -0.63 -0.08 0.00 0.69 0.00 0.00 54.13 54.13 1zy1 s LEU 106 Cb 0.03 -0.86 -0.01 0.00 -0.43 0.00 0.00 46.19 44.92 1zy1 s LEU 106 CO -0.07 -0.19 0.39 -0.36 -0.29 0.00 0.00 176.35 175.82 1zy1 s PHE 107 N 1.67 0.68 -0.03 5.38 0.40 -1.20 -0.66 117.98 124.22 1zy1 s PHE 107 Ca 0.01 -0.98 -0.29 0.00 -0.60 0.00 0.00 56.93 55.07 1zy1 s PHE 107 Cb -0.15 -0.05 -0.03 0.00 0.51 0.00 0.00 43.02 43.30 1zy1 s PHE 107 CO -0.08 -0.92 0.95 -0.06 0.70 0.00 0.00 175.22 175.81 1zy1 s PHE 108 N -3.91 3.62 0.31 0.36 0.40 -1.26 -1.40 117.98 116.10 1zy1 s PHE 108 Ca 0.28 1.62 0.10 0.00 -0.60 0.00 0.00 56.93 58.33 1zy1 s PHE 108 Cb 0.01 -3.09 -0.05 0.00 0.51 0.00 0.00 43.02 40.40 1zy1 s PHE 108 CO 0.12 -0.04 -0.03 -1.21 0.70 0.00 0.00 175.22 174.76 1zy1 s GLU 109 N 1.16 2.07 -0.06 0.44 2.02 -0.56 -4.88 118.70 118.89 1zy1 s GLU 109 Ca 0.49 -1.65 -0.16 0.00 0.02 0.00 0.00 54.97 53.68 1zy1 s GLU 109 Cb -0.20 -1.97 0.03 0.00 0.10 0.00 0.00 34.13 32.09 1zy1 s GLU 109 CO 0.25 0.24 0.37 0.20 0.02 0.00 0.00 175.26 176.34 1zy1 s GLY 110 N -3.67 -0.24 0.17 -1.39 0.00 -1.26 -1.66 107.32 99.27 1zy1 s GLY 110 Ca 0.33 0.69 0.11 0.00 0.00 0.00 0.00 44.72 45.84 1zy1 s GLY 110 CO 0.19 0.48 -0.23 0.00 0.00 0.00 0.00 173.10 173.54 1zy1 n LEU 112 N 0.44 0.31 -0.88 0.00 4.77 -1.26 -2.46 117.00 117.91 1zy1 n LEU 112 Ca -0.14 0.53 0.12 0.00 -0.03 0.00 0.00 56.01 56.49 1zy1 n LEU 112 Cb 0.55 -0.44 0.23 0.00 -2.33 0.00 0.00 43.42 41.43 1zy1 n LEU 112 CO 0.28 -0.09 0.70 -1.20 -1.33 0.00 0.00 177.39 175.75 1zy1 n SER 113 N -1.79 2.72 -3.08 -1.43 7.64 -1.26 -4.36 113.62 112.06 1zy1 n SER 113 Ca 0.06 -1.88 -0.20 0.00 1.01 0.00 0.00 58.87 57.86 1zy1 n SER 113 Cb 0.36 -0.06 -0.04 0.00 -1.01 0.00 0.00 64.21 63.46 1zy1 n SER 113 CO 0.00 0.00 0.00 0.52 -3.01 0.00 0.00 175.04 172.55 1zy1 n VAL 114 N 1.09 -0.54 -3.27 0.44 0.31 -1.03 -1.88 118.33 113.45 1zy1 n VAL 114 Ca 0.16 -3.27 -0.31 0.00 -0.01 0.00 0.00 64.34 60.92 1zy1 n VAL 114 Cb 0.54 -1.00 -0.04 0.00 -0.91 0.00 0.00 33.84 32.42 1zy1 n VAL 114 CO 0.00 0.00 0.00 1.51 -1.32 0.00 0.00 176.83 177.02 1zy1 s ASP 115 N -1.18 6.57 0.00 4.52 -4.77 -1.22 -3.85 116.67 116.73 1zy1 s ASP 115 Ca 0.34 0.93 0.00 0.00 -3.30 0.00 0.00 52.55 50.52 1zy1 s ASP 115 Cb 0.17 -2.23 0.00 0.00 -1.09 0.00 0.00 42.92 39.77 1zy1 s ASP 115 CO -0.15 -0.18 0.00 0.61 0.70 0.00 0.00 175.17 176.15 1zy1 n GLY 116 N -0.60 0.09 3.11 2.12 0.00 -1.26 -5.05 105.19 103.61 1zy1 n GLY 116 Ca 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.85 1zy1 n GLY 116 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1zy1 s PHE 117 N -2.02 1.01 0.15 1.61 0.08 -1.25 -0.92 117.98 116.64 1zy1 s PHE 117 Ca 0.00 -0.40 0.02 0.00 0.12 0.00 0.00 56.93 56.67 1zy1 s PHE 117 Cb 0.00 -0.59 -0.04 0.00 -0.57 0.00 0.00 43.02 41.81 1zy1 s PHE 117 CO 0.00 0.01 -0.03 1.03 -0.10 0.00 0.00 175.22 176.13 1zy1 s ARG 118 N -1.33 1.03 -0.26 0.44 1.81 0.11 -4.48 118.95 116.27 1zy1 s ARG 118 Ca -0.02 -1.47 -0.25 0.00 -1.72 0.00 0.00 55.73 52.26 1zy1 s ARG 118 Cb -0.08 -0.30 0.10 0.00 -0.45 0.00 0.00 34.95 34.22 1zy1 s ARG 118 CO 0.01 -0.08 0.92 0.00 -0.68 0.00 0.00 175.30 175.47 1zy1 s ALA 119 N -3.61 -1.90 -0.13 2.13 0.00 -0.66 -1.19 121.76 116.40 1zy1 s ALA 119 Ca 0.20 1.89 -0.29 0.00 0.00 0.00 0.00 51.96 53.76 1zy1 s ALA 119 Cb 0.05 -1.27 -0.04 0.00 0.00 0.00 0.00 23.12 21.87 1zy1 s ALA 119 CO 0.01 -0.28 1.57 0.00 0.00 0.00 0.00 175.76 177.06 1zy1 s ALA 120 N 0.16 3.51 0.02 0.00 0.00 -1.26 -1.50 121.76 122.69 1zy1 s ALA 120 Ca 0.01 0.69 0.06 0.00 0.00 0.00 0.00 51.96 52.72 1zy1 s ALA 120 Cb -0.05 -3.76 -0.02 0.00 0.00 0.00 0.00 23.12 19.30 1zy1 s ALA 120 CO -0.03 -1.54 -0.18 0.14 0.00 0.00 0.00 175.76 174.16 1zy1 s VAL 121 N 4.32 1.40 0.02 0.00 -7.23 -0.49 -1.06 120.40 117.37 1zy1 s VAL 121 Ca 0.69 -0.95 -0.22 0.00 -1.81 0.00 0.00 61.98 59.69 1zy1 s VAL 121 Cb -0.28 -1.21 -0.06 0.00 0.56 0.00 0.00 36.38 35.39 1zy1 s VAL 121 CO 0.26 0.23 0.66 -0.70 -0.31 0.00 0.00 175.10 175.25 1zy1 s GLU 122 N -0.84 4.38 0.09 4.82 2.12 -1.26 -3.21 118.70 124.80 1zy1 s GLU 122 Ca 0.06 0.87 0.02 0.00 0.36 0.00 0.00 54.97 56.28 1zy1 s GLU 122 Cb -0.08 -3.34 -0.04 0.00 0.26 0.00 0.00 34.13 30.94 1zy1 s GLU 122 CO 0.01 0.36 -0.08 1.03 -0.54 0.00 0.00 175.26 176.04 1zy1 s ARG 123 N -0.23 0.77 0.48 4.30 1.81 -0.15 -4.96 118.95 120.97 1zy1 s ARG 123 Ca 0.34 -1.16 -0.22 0.00 -1.72 0.00 0.00 55.73 52.97 1zy1 s ARG 123 Cb -0.19 -0.32 -0.07 0.00 -0.45 0.00 0.00 34.95 33.92 1zy1 s ARG 123 CO 0.20 0.02 1.17 0.71 -0.68 0.00 0.00 175.30 176.72 1zy1 s TYR 124 N -2.80 2.79 -0.01 -0.53 1.51 -1.26 -0.62 117.35 116.43 1zy1 s TYR 124 Ca 0.05 1.53 -0.07 0.00 -1.01 0.00 0.00 57.07 57.58 1zy1 s TYR 124 Cb -0.00 -3.38 -0.29 0.00 -0.11 0.00 0.00 41.96 38.17 1zy1 s TYR 124 CO -0.02 -1.61 0.82 1.25 -1.11 0.00 0.00 175.55 174.88 1zy1 h LEU 125 N 1.81 0.50 -8.47 -1.29 7.12 0.25 -3.42 115.31 111.82 1zy1 h LEU 125 Ca -0.50 -0.69 -0.68 0.00 0.13 0.00 0.00 57.88 56.15 1zy1 h LEU 125 Cb 1.25 -0.16 -0.31 0.00 -0.53 0.00 0.00 40.66 40.91 1zy1 h LEU 125 CO 0.59 1.57 -0.88 -1.61 -0.13 0.00 0.00 178.44 177.98 1zy1 s GLU 126 N -2.61 2.47 0.02 1.25 2.02 -1.26 -2.22 118.70 118.38 1zy1 s GLU 126 Ca -0.11 -0.89 -0.18 0.00 0.02 0.00 0.00 54.97 53.81 1zy1 s GLU 126 Cb 0.06 -2.11 0.03 0.00 0.10 0.00 0.00 34.13 32.21 1zy1 s GLU 126 CO 0.86 0.38 0.40 0.54 0.02 0.00 0.00 175.26 177.47 1zy1 s VAL 127 N -0.18 0.05 -0.07 2.63 0.11 -0.45 -0.79 120.40 121.70 1zy1 s VAL 127 Ca -0.03 -0.45 0.03 0.00 -2.93 0.00 0.00 61.98 58.60 1zy1 s VAL 127 Cb -0.13 -0.88 0.01 0.00 -1.53 0.00 0.00 36.38 33.84 1zy1 s VAL 127 CO 0.03 -0.25 -0.16 0.54 -3.33 0.00 0.00 175.10 171.93 1zy1 s VAL 128 N -2.12 1.44 -0.14 2.04 0.11 -0.23 -1.12 120.40 120.38 1zy1 s VAL 128 Ca -0.08 -0.66 0.01 0.00 -2.93 0.00 0.00 61.98 58.32 1zy1 s VAL 128 Cb -0.02 -1.27 0.02 0.00 -1.53 0.00 0.00 36.38 33.57 1zy1 s VAL 128 CO 0.00 0.42 -0.17 -0.69 -3.33 0.00 0.00 175.10 171.34 1zy1 s VAL 129 N 0.49 1.68 0.64 2.04 1.01 0.15 -1.72 120.40 124.70 1zy1 s VAL 129 Ca -0.15 -0.73 0.07 0.00 0.00 0.00 0.00 61.98 61.17 1zy1 s VAL 129 Cb -0.16 -1.54 0.11 0.00 0.00 0.00 0.00 36.38 34.80 1zy1 s VAL 129 CO 0.05 0.48 0.89 0.35 0.00 0.00 0.00 175.10 176.86 1zy1 n THR 130 N 4.43 0.00 0.00 3.92 -2.24 -0.60 -0.57 114.28 119.22 1zy1 n THR 130 Ca -0.19 -1.88 0.00 0.00 -2.27 0.00 0.00 64.05 59.71 1zy1 n THR 130 Cb 0.51 -0.61 0.00 0.00 -2.10 0.00 0.00 70.33 68.12 1zy1 n THR 130 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1zy1 n GLY 131 N -2.46 0.63 3.24 3.38 0.00 -0.85 -1.76 105.19 107.37 1zy1 n GLY 131 Ca 0.17 -1.58 -0.23 0.00 0.00 0.00 0.00 46.02 44.38 1zy1 n GLY 131 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1zy1 s TYR 132 N -3.60 1.62 0.87 1.61 2.02 -0.80 -0.46 117.35 118.61 1zy1 s TYR 132 Ca 0.00 -0.41 -0.14 0.00 -0.37 0.00 0.00 57.07 56.16 1zy1 s TYR 132 Cb 0.00 -0.92 0.13 0.00 -0.40 0.00 0.00 41.96 40.77 1zy1 s TYR 132 CO 0.00 0.13 1.23 0.16 -1.57 0.00 0.00 175.55 175.50 1zy1 s ASP 133 N -1.61 3.94 0.47 2.29 1.47 -0.14 -1.44 116.67 121.65 1zy1 s ASP 133 Ca 0.05 0.59 0.29 0.00 1.18 0.00 0.00 52.55 54.65 1zy1 s ASP 133 Cb -0.09 -0.92 1.35 0.00 -0.34 0.00 0.00 42.92 42.92 1zy1 s ASP 133 CO 0.03 -2.24 1.76 -0.09 0.68 0.00 0.00 175.17 175.30 1zy1 h ARG 134 N -1.30 0.17 -0.69 2.11 2.43 -1.91 0.69 114.38 115.88 1zy1 h ARG 134 Ca -0.45 -0.01 -0.06 0.00 -0.81 0.00 0.00 59.98 58.65 1zy1 h ARG 134 Cb 1.29 -0.04 -0.03 0.00 -0.42 0.00 0.00 29.97 30.77 1zy1 h ARG 134 CO 0.55 0.11 0.07 1.04 -1.51 0.00 0.00 179.97 180.24 1zy1 n GLN 135 N -4.43 4.04 -1.41 0.20 6.02 -1.26 -4.79 117.38 115.75 1zy1 n GLN 135 Ca 0.28 -2.66 -0.08 0.00 -0.01 0.00 0.00 57.00 54.52 1zy1 n GLN 135 Cb 1.14 -2.14 -0.03 0.00 1.02 0.00 0.00 30.24 30.23 1zy1 n GLN 135 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1zy1 n GLY 136 N 0.35 0.82 3.51 1.08 0.00 0.23 -4.87 105.19 106.31 1zy1 n GLY 136 Ca 0.27 -0.65 -0.34 0.00 0.00 0.00 0.00 46.02 45.30 1zy1 n GLY 136 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1zy1 s LYS 137 N -3.01 3.42 -0.01 1.61 -2.85 -1.26 -4.76 119.74 112.87 1zy1 s LYS 137 Ca 0.00 -0.54 -0.38 0.00 -1.00 0.00 0.00 55.97 54.05 1zy1 s LYS 137 Cb 0.00 -2.81 -0.17 0.00 -2.06 0.00 0.00 37.83 32.79 1zy1 s LYS 137 CO 0.00 0.34 1.40 -2.13 0.10 0.00 0.00 175.35 175.06 1zy1 n ARG 138 N 3.21 0.98 -4.14 1.78 3.00 -1.26 -0.97 116.66 119.26 1zy1 n ARG 138 Ca -0.18 0.35 -0.11 0.00 -0.00 0.00 0.00 57.85 57.92 1zy1 n ARG 138 Cb 0.53 -1.98 -0.10 0.00 0.00 0.00 0.00 32.46 30.90 1zy1 n ARG 138 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 177.63 178.59 1zy1 s ILE 139 N 1.11 0.61 -0.31 5.15 -4.36 0.40 -4.84 121.20 118.96 1zy1 s ILE 139 Ca 0.89 -1.72 -0.02 0.00 -0.26 0.00 0.00 60.65 59.54 1zy1 s ILE 139 Cb -1.03 -1.41 0.12 0.00 1.25 0.00 0.00 42.46 41.39 1zy1 s ILE 139 CO 0.53 -0.77 0.18 -0.70 0.24 0.00 0.00 174.94 174.42 1zy1 s GLU 140 N -3.30 0.32 -0.09 0.37 2.12 -1.26 -2.00 118.70 114.86 1zy1 s GLU 140 Ca 0.06 -0.71 -0.21 0.00 0.36 0.00 0.00 54.97 54.47 1zy1 s GLU 140 Cb 0.02 -1.12 -0.04 0.00 0.26 0.00 0.00 34.13 33.25 1zy1 s GLU 140 CO -0.04 -1.08 0.58 0.08 -0.54 0.00 0.00 175.26 174.26 1zy1 s VAL 141 N 1.82 5.12 -0.08 3.70 1.01 0.27 -4.90 120.40 127.34 1zy1 s VAL 141 Ca 0.12 1.18 0.01 0.00 0.00 0.00 0.00 61.98 63.29 1zy1 s VAL 141 Cb -0.18 -3.92 -0.03 0.00 0.00 0.00 0.00 36.38 32.26 1zy1 s VAL 141 CO -0.25 0.29 -0.09 0.20 0.00 0.00 0.00 175.10 175.26 1zy1 s ASN 142 N 0.70 4.45 0.19 3.32 0.01 -1.26 0.34 114.94 122.69 1zy1 s ASN 142 Ca 0.31 -0.11 -0.20 0.00 -0.71 0.00 0.00 52.86 52.15 1zy1 s ASN 142 Cb -0.16 -1.24 0.04 0.00 0.41 0.00 0.00 41.25 40.30 1zy1 s ASN 142 CO 0.14 0.31 0.58 0.00 -1.51 0.00 0.00 177.10 176.62 1zy1 s ALA 143 N -0.49 -1.27 0.34 0.60 0.00 -0.28 -5.02 121.76 115.65 1zy1 s ALA 143 Ca 0.07 0.08 -0.01 0.00 0.00 0.00 0.00 51.96 52.09 1zy1 s ALA 143 Cb -0.12 0.85 -0.00 0.00 0.00 0.00 0.00 23.12 23.85 1zy1 s ALA 143 CO 0.02 -0.82 0.44 -1.54 0.00 0.00 0.00 175.76 173.86 1zy1 s SER 144 N -2.82 0.97 0.79 0.00 1.04 -1.26 -1.35 113.70 111.07 1zy1 s SER 144 Ca 0.06 -1.51 0.00 0.00 0.48 0.00 0.00 55.95 54.98 1zy1 s SER 144 Cb -0.02 0.64 0.00 0.00 0.10 0.00 0.00 66.02 66.75 1zy1 s SER 144 CO -0.06 -1.25 0.00 0.61 0.98 0.00 0.00 173.24 173.51 1zy1 n GLY 145 N -0.56 0.57 0.44 7.32 0.00 -0.94 -3.04 105.19 108.98 1zy1 n GLY 145 Ca 0.02 -0.83 0.25 0.00 0.00 0.00 0.00 46.02 45.46 1zy1 n GLY 145 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 173.32 173.07 1zy1 h TRP 146 N 0.00 0.30 -0.42 1.61 2.91 -1.29 0.06 115.95 119.12 1zy1 h TRP 146 Ca 0.00 0.01 -0.04 0.00 1.13 0.00 0.00 58.89 59.99 1zy1 h TRP 146 Cb 0.00 -0.09 -0.02 0.00 -0.51 0.00 0.00 29.16 28.54 1zy1 h TRP 146 CO 0.00 0.05 0.12 0.37 -1.03 0.00 0.00 178.44 177.95 1zy1 h GLN 147 N 0.20 0.66 -0.90 2.65 4.15 -1.81 -1.13 115.11 118.94 1zy1 h GLN 147 Ca 0.49 -0.15 -0.01 0.00 0.77 0.00 0.00 58.65 59.75 1zy1 h GLN 147 Cb 1.58 -0.09 -0.04 0.00 0.21 0.00 0.00 27.48 29.13 1zy1 h GLN 147 CO -0.12 0.66 0.50 0.00 -1.93 0.00 0.00 178.83 177.95 1zy1 h ALA 148 N 0.97 1.20 0.18 3.38 0.00 -0.95 -1.09 119.26 122.95 1zy1 h ALA 148 Ca 0.13 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1zy1 h ALA 148 Cb 0.29 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 1zy1 h ALA 148 CO -0.00 0.66 -0.17 -0.09 0.00 0.00 0.00 179.25 179.65 1zy1 h ARG 149 N 1.25 -0.36 -0.31 0.00 2.43 -0.94 -1.19 114.38 115.26 1zy1 h ARG 149 Ca 0.32 0.02 0.04 0.00 -0.81 0.00 0.00 59.98 59.56 1zy1 h ARG 149 Cb 0.01 0.08 -0.04 0.00 -0.42 0.00 0.00 29.97 29.60 1zy1 h ARG 149 CO -0.05 -0.24 0.07 0.82 -1.51 0.00 0.00 179.97 179.06 1zy1 h ILE 150 N -0.37 0.85 -0.50 1.20 2.04 -0.77 0.12 117.51 120.09 1zy1 h ILE 150 Ca -0.00 -0.06 0.08 0.00 1.00 0.00 0.00 64.86 65.88 1zy1 h ILE 150 Cb 0.34 0.66 -0.07 0.00 -0.74 0.00 0.00 36.82 37.01 1zy1 h ILE 150 CO -0.03 0.03 0.12 -0.07 0.00 0.00 0.00 178.15 178.21 1zy1 h LEU 151 N 0.18 0.05 -0.64 1.44 3.38 -1.00 -0.24 115.31 118.48 1zy1 h LEU 151 Ca 0.15 0.08 0.01 0.00 0.09 0.00 0.00 57.88 58.21 1zy1 h LEU 151 Cb 0.15 0.10 -0.03 0.00 0.09 0.00 0.00 40.66 40.97 1zy1 h LEU 151 CO -0.19 0.06 0.42 1.56 0.09 0.00 0.00 178.44 180.38 1zy1 h GLN 152 N 0.27 0.84 0.49 1.13 4.20 -0.32 0.23 115.11 121.95 1zy1 h GLN 152 Ca 0.25 -0.05 -0.02 0.00 0.06 0.00 0.00 58.65 58.89 1zy1 h GLN 152 Cb 0.32 -0.19 -0.02 0.00 0.30 0.00 0.00 27.48 27.89 1zy1 h GLN 152 CO -0.31 0.56 -0.43 1.25 -0.67 0.00 0.00 178.83 179.23 1zy1 h HIS 153 N 0.87 -1.19 -0.89 2.96 2.76 0.16 0.34 115.15 120.15 1zy1 h HIS 153 Ca 0.24 0.00 0.07 0.00 -2.20 0.00 0.00 60.37 58.48 1zy1 h HIS 153 Cb -0.09 0.46 -0.06 0.00 1.55 0.00 0.00 27.41 29.26 1zy1 h HIS 153 CO -0.03 -0.59 0.55 0.93 -1.30 0.00 0.00 177.93 177.49 1zy1 h GLU 154 N -0.91 0.97 -0.70 5.26 4.39 -0.97 -1.60 114.58 121.02 1zy1 h GLU 154 Ca -0.06 -0.06 -0.05 0.00 0.34 0.00 0.00 59.36 59.52 1zy1 h GLU 154 Cb 0.77 -0.22 -0.03 0.00 -0.10 0.00 0.00 28.75 29.17 1zy1 h GLU 154 CO -0.02 0.64 0.22 0.00 -1.16 0.00 0.00 179.01 178.69 1zy1 h ASP 156 N 1.04 0.52 -0.68 0.00 3.32 0.05 -1.45 116.42 119.21 1zy1 h ASP 156 Ca 0.23 0.03 0.12 0.00 0.02 0.00 0.00 57.03 57.43 1zy1 h ASP 156 Cb 0.29 -0.08 -0.09 0.00 0.22 0.00 0.00 39.33 39.67 1zy1 h ASP 156 CO -0.01 0.34 0.22 0.45 -1.72 0.00 0.00 179.24 178.52 1zy1 h HIS 157 N 0.65 0.37 0.00 4.55 3.86 -0.94 0.31 115.15 123.95 1zy1 h HIS 157 Ca 0.28 0.04 0.00 0.00 -1.16 0.00 0.00 60.37 59.52 1zy1 h HIS 157 Cb 0.15 -0.06 0.00 0.00 1.06 0.00 0.00 27.41 28.56 1zy1 h HIS 157 CO -0.08 0.03 0.00 1.28 0.86 0.00 0.00 177.93 180.02 1zy1 n LEU 158 N -5.05 0.00 -0.27 2.43 4.77 -0.55 -1.04 117.00 117.29 1zy1 n LEU 158 Ca 0.11 0.42 0.03 0.00 -0.03 0.00 0.00 56.01 56.54 1zy1 n LEU 158 Cb 0.36 -0.42 0.05 0.00 -2.33 0.00 0.00 43.42 41.08 1zy1 n LEU 158 CO 0.18 -0.40 0.44 0.47 -1.33 0.00 0.00 177.39 176.75 1zy1 n ASP 159 N -1.42 1.90 0.00 -1.43 8.00 0.10 -1.80 116.55 121.90 1zy1 n ASP 159 Ca 0.01 -1.57 0.00 0.00 0.71 0.00 0.00 54.79 53.94 1zy1 n ASP 159 Cb 0.02 -0.05 0.00 0.00 -0.02 0.00 0.00 41.12 41.06 1zy1 n ASP 159 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1zy1 n GLY 160 N 0.19 0.69 3.18 0.44 0.00 -0.21 -3.99 105.19 105.49 1zy1 n GLY 160 Ca 0.04 -0.72 -0.31 0.00 0.00 0.00 0.00 46.02 45.03 1zy1 n GLY 160 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1zy1 s ASN 161 N -2.79 2.90 0.14 1.61 0.01 -0.81 -4.49 114.94 111.51 1zy1 s ASN 161 Ca 0.00 -0.53 0.07 0.00 -0.71 0.00 0.00 52.86 51.69 1zy1 s ASN 161 Cb 0.00 -1.33 -0.04 0.00 0.41 0.00 0.00 41.25 40.29 1zy1 s ASN 161 CO 0.00 0.12 -0.04 -0.76 -1.51 0.00 0.00 177.10 174.91 1zy1 s LEU 162 N 0.49 3.21 0.51 0.60 1.43 -1.26 -3.22 118.68 120.43 1zy1 s LEU 162 Ca -0.16 -0.39 0.24 0.00 -1.03 0.00 0.00 54.13 52.79 1zy1 s LEU 162 Cb -0.17 -1.92 1.33 0.00 0.03 0.00 0.00 46.19 45.46 1zy1 s LEU 162 CO 0.06 0.13 1.96 0.10 0.23 0.00 0.00 176.35 178.83 1zy1 h TYR 163 N 3.10 0.11 -1.01 0.29 -0.00 -1.97 -2.26 116.97 115.24 1zy1 h TYR 163 Ca -0.48 0.00 0.28 0.00 0.00 0.00 0.00 58.73 58.54 1zy1 h TYR 163 Cb 1.19 -0.04 -0.05 0.00 0.00 0.00 0.00 36.73 37.83 1zy1 h TYR 163 CO 0.62 0.04 0.70 -0.39 -0.00 0.00 0.00 178.16 179.13 1zy1 h VAL 164 N 0.10 0.52 -0.46 -0.90 -1.51 -1.98 0.96 116.25 112.98 1zy1 h VAL 164 Ca 0.31 -0.04 0.00 0.00 -1.23 0.00 0.00 66.70 65.74 1zy1 h VAL 164 Cb 1.09 0.39 0.00 0.00 -2.13 0.00 0.00 31.29 30.64 1zy1 h VAL 164 CO -0.03 0.02 0.00 0.47 -1.23 0.00 0.00 177.57 176.80 1zy1 n ASP 165 N -4.34 2.96 0.00 4.19 8.00 -0.85 -3.65 116.55 122.86 1zy1 n ASP 165 Ca 0.22 -2.15 0.00 0.00 0.71 0.00 0.00 54.79 53.57 1zy1 n ASP 165 Cb 1.00 -0.40 0.00 0.00 -0.02 0.00 0.00 41.12 41.70 1zy1 n ASP 165 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 1zy1 n LYS 166 N 0.79 0.72 -2.20 -1.24 5.02 0.32 -5.07 118.16 116.49 1zy1 n LYS 166 Ca 0.17 -0.69 -0.31 0.00 -2.02 0.00 0.00 58.31 55.46 1zy1 n LYS 166 Cb 0.52 -0.66 -0.01 0.00 -0.02 0.00 0.00 35.03 34.86 1zy1 n LYS 166 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1zy1 s MET 167 N -0.26 3.68 -0.08 1.97 0.23 -0.29 -4.41 119.30 120.14 1zy1 s MET 167 Ca 0.00 0.68 -0.30 0.00 -1.03 0.00 0.00 55.69 55.04 1zy1 s MET 167 Cb 0.00 -2.17 -0.02 0.00 -1.53 0.00 0.00 34.83 31.11 1zy1 s MET 167 CO 0.00 -0.39 1.10 0.08 -2.03 0.00 0.00 175.02 173.77 1zy1 s VAL 168 N -2.91 4.53 0.22 5.16 1.01 -0.22 -4.96 120.40 123.23 1zy1 s VAL 168 Ca 0.54 1.83 -0.30 0.00 0.00 0.00 0.00 61.98 64.05 1zy1 s VAL 168 Cb -0.11 -4.17 -0.15 0.00 0.00 0.00 0.00 36.38 31.95 1zy1 s VAL 168 CO 0.45 -0.00 0.98 -2.65 0.00 0.00 0.00 175.10 173.88 1zy1 n PRO 169 N 5.12 0.98 -0.99 2.72 -0.02 -1.26 -1.86 135.00 139.69 1zy1 n PRO 169 Ca 0.10 0.35 0.00 0.00 -2.02 0.00 0.00 63.50 61.93 1zy1 n PRO 169 Cb 0.47 -1.70 0.00 0.00 -0.02 0.00 0.00 33.50 32.25 1zy1 n PRO 169 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 1zy1 n ARG 170 N 1.18 -0.85 -0.01 -0.52 1.74 -1.26 -4.84 116.66 112.10 1zy1 n ARG 170 Ca 0.13 0.21 0.11 0.00 -0.77 0.00 0.00 57.85 57.53 1zy1 n ARG 170 Cb 0.27 -3.86 -0.15 0.00 -1.02 0.00 0.00 32.46 27.70 1zy1 n ARG 170 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 1zy1 n THR 171 N -2.55 0.00 -1.60 0.55 -2.24 -0.78 -4.66 114.28 103.01 1zy1 n THR 171 Ca 0.00 -0.37 -0.44 0.00 -2.27 0.00 0.00 64.05 60.97 1zy1 n THR 171 Cb 0.21 0.26 -0.01 0.00 -2.10 0.00 0.00 70.33 68.69 1zy1 n THR 171 CO 0.00 0.00 0.00 0.33 -0.57 0.00 0.00 175.07 174.83 1zy1 n PHE 172 N -2.07 1.27 -3.58 4.78 -0.00 -1.26 -4.34 117.46 112.26 1zy1 n PHE 172 Ca -0.02 0.66 -0.05 0.00 -0.00 0.00 0.00 57.45 58.04 1zy1 n PHE 172 Cb 0.51 -2.25 -0.02 0.00 -0.00 0.00 0.00 39.48 37.72 1zy1 n PHE 172 CO 0.00 0.00 0.00 -0.98 -0.00 0.00 0.00 176.76 175.78 1zy1 s ARG 173 N -1.67 0.66 0.46 -4.13 1.70 -0.33 -4.99 118.95 110.65 1zy1 s ARG 173 Ca 0.59 -0.28 -0.22 0.00 -0.47 0.00 0.00 55.73 55.35 1zy1 s ARG 173 Cb -0.66 0.28 -0.08 0.00 -0.57 0.00 0.00 34.95 33.92 1zy1 s ARG 173 CO 0.60 -0.29 1.10 0.99 -1.08 0.00 0.00 175.30 176.61 1zy1 s THR 174 N -2.83 3.42 0.45 4.99 2.01 -1.26 -0.71 115.64 121.70 1zy1 s THR 174 Ca 0.09 1.00 0.15 0.00 0.31 0.00 0.00 61.69 63.24 1zy1 s THR 174 Cb -0.00 -3.47 0.33 0.00 0.01 0.00 0.00 72.50 69.36 1zy1 s THR 174 CO -0.05 -0.08 1.99 -0.37 -0.69 0.00 0.00 174.62 175.42 1zy1 h VAL 175 N 1.78 0.89 0.15 3.82 -1.51 -1.36 -0.97 116.25 119.05 1zy1 h VAL 175 Ca -0.49 -0.12 -0.01 0.00 -1.23 0.00 0.00 66.70 64.85 1zy1 h VAL 175 Cb 1.24 0.51 0.00 0.00 -2.13 0.00 0.00 31.29 30.91 1zy1 h VAL 175 CO 0.60 0.06 -0.07 0.44 -1.23 0.00 0.00 177.57 177.37 1zy1 h ASP 176 N 0.35 -0.17 0.00 4.19 3.32 -1.90 -2.38 116.42 119.83 1zy1 h ASP 176 Ca 0.26 -0.16 0.00 0.00 0.02 0.00 0.00 57.03 57.15 1zy1 h ASP 176 Cb 0.55 0.04 0.00 0.00 0.22 0.00 0.00 39.33 40.15 1zy1 h ASP 176 CO -0.06 0.06 0.00 0.59 -1.72 0.00 0.00 179.24 178.11 1zy1 n ASN 177 N -5.08 0.60 -0.20 6.45 3.02 -0.46 -4.21 115.26 115.37 1zy1 n ASN 177 Ca -0.09 -1.82 -0.01 0.00 -0.03 0.00 0.00 54.58 52.64 1zy1 n ASN 177 Cb 0.18 -0.30 0.10 0.00 -0.61 0.00 0.00 39.78 39.15 1zy1 n ASN 177 CO 0.00 0.00 0.00 0.25 -2.62 0.00 0.00 177.26 174.89 1zy1 h LEU 178 N 0.06 0.28 -0.18 3.41 5.85 -0.75 -2.37 115.31 121.61 1zy1 h LEU 178 Ca 0.00 0.07 0.00 0.00 0.84 0.00 0.00 57.88 58.79 1zy1 h LEU 178 Cb 0.30 0.03 0.00 0.00 0.37 0.00 0.00 40.66 41.36 1zy1 h LEU 178 CO 0.00 0.17 -0.07 0.47 -0.34 0.00 0.00 178.44 178.67 1zy1 n ASP 179 N -4.96 0.35 -4.74 1.25 8.00 -1.26 -4.88 116.55 110.30 1zy1 n ASP 179 Ca 0.08 -0.53 -0.36 0.00 0.71 0.00 0.00 54.79 54.70 1zy1 n ASP 179 Cb 0.25 -0.11 0.06 0.00 -0.02 0.00 0.00 41.12 41.29 1zy1 n ASP 179 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1zy1 s LEU 180 N -2.45 3.54 1.00 0.64 1.43 -0.89 -4.94 118.68 117.00 1zy1 s LEU 180 Ca 0.31 2.41 -0.14 0.00 -1.03 0.00 0.00 54.13 55.68 1zy1 s LEU 180 Cb 0.20 -4.60 0.07 0.00 0.03 0.00 0.00 46.19 41.89 1zy1 s LEU 180 CO 0.46 -1.87 0.37 -2.65 0.23 0.00 0.00 176.35 172.90 1zy1 n PRO 181 N -2.00 -0.70 -3.24 1.29 -0.02 -1.26 -4.96 135.00 124.10 1zy1 n PRO 181 Ca 0.14 -0.17 -0.39 0.00 -2.02 0.00 0.00 63.50 61.06 1zy1 n PRO 181 Cb 0.50 -1.86 -0.06 0.00 -0.02 0.00 0.00 33.50 32.06 1zy1 n PRO 181 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1zy1 s LEU 182 N -1.68 4.46 0.79 2.45 1.43 -1.26 -5.03 118.68 119.83 1zy1 s LEU 182 Ca 0.58 1.18 -0.14 0.00 -1.03 0.00 0.00 54.13 54.72 1zy1 s LEU 182 Cb -0.19 -2.89 0.06 0.00 0.03 0.00 0.00 46.19 43.20 1zy1 s LEU 182 CO 0.67 0.17 1.16 0.00 0.23 0.00 0.00 176.35 178.57 1zy1 n ALA 183 N 2.36 -0.03 -1.90 4.21 0.00 -1.26 -4.89 120.51 118.98 1zy1 n ALA 183 Ca -0.08 -0.29 -0.41 0.00 0.00 0.00 0.00 53.44 52.65 1zy1 n ALA 183 Cb 0.51 -2.22 -0.02 0.00 0.00 0.00 0.00 19.45 17.71 1zy1 n ALA 183 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.50 175.67 1zy1 s GLU 184 N -3.94 4.29 0.00 0.00 -1.05 -1.26 -2.45 118.70 114.28 1zy1 s GLU 184 Ca 0.74 2.26 0.00 0.00 -0.15 0.00 0.00 54.97 57.82 1zy1 s GLU 184 Cb -0.30 -3.13 0.00 0.00 -0.44 0.00 0.00 34.13 30.26 1zy1 s GLU 184 CO 0.50 -0.40 0.00 0.41 0.95 0.00 0.00 175.26 176.73 1zy1 n GLY 185 N 2.29 1.83 3.73 -3.83 0.00 -1.26 -5.07 105.19 102.88 1zy1 n GLY 185 Ca 0.07 -0.22 -0.38 0.00 0.00 0.00 0.00 46.02 45.49 1zy1 n GLY 185 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1zy1 s PRO 187 N -2.91 -1.47 -0.11 0.00 0.02 -1.26 -5.01 135.00 124.26 1zy1 s PRO 187 Ca 0.73 0.49 -0.09 0.00 0.02 0.00 0.00 61.00 62.15 1zy1 s PRO 187 Cb -0.42 -1.52 -0.04 0.00 0.02 0.00 0.00 34.50 32.54 1zy1 s PRO 187 CO 0.48 -4.00 0.20 -1.59 -0.33 0.00 0.00 177.00 171.76 1zy1 s LYS 188 N -4.78 3.68 0.33 5.54 0.00 -1.26 -5.06 119.74 118.19 1zy1 s LYS 188 Ca 0.68 -0.02 -0.27 0.00 0.00 0.00 0.00 55.97 56.35 1zy1 s LYS 188 Cb -0.20 -3.24 -0.09 0.00 0.00 0.00 0.00 37.83 34.30 1zy1 s LYS 188 CO 0.61 0.66 1.10 -0.51 0.00 0.00 0.00 175.35 177.21 1zy1 s LEU 189 N -0.75 4.40 0.00 2.77 1.43 -1.26 -4.89 118.68 120.38 1zy1 s LEU 189 Ca 0.16 2.23 0.00 0.00 -1.03 0.00 0.00 54.13 55.49 1zy1 s LEU 189 Cb -0.13 -3.82 0.00 0.00 0.03 0.00 0.00 46.19 42.27 1zy1 s LEU 189 CO 0.05 -0.30 0.00 0.61 0.23 0.00 0.00 176.35 176.94 1zy1 n GLY 190 N 0.90 0.72 0.00 -3.19 0.00 0.16 -4.95 105.19 98.83 1zy1 n GLY 190 Ca 0.01 -2.11 0.00 0.00 0.00 0.00 0.00 46.02 43.92 1zy1 n GLY 190 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1zy1 n SER 191 N 0.10 0.00 0.00 1.61 7.64 -1.26 -1.11 113.62 120.61 1zy1 n SER 191 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 1zy1 n SER 191 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 1zy1 n SER 191 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03