#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 2.40 -0.11 -2.67 2.96 -1.26 -5.09 118.68 114.91 1zy1 s LEU 3 Ca 0.00 -0.54 -0.29 0.00 -0.22 0.00 0.00 54.13 53.07 1zy1 s LEU 3 Cb 0.00 -1.56 -0.03 0.00 0.50 0.00 0.00 46.19 45.09 1zy1 s LEU 3 CO 0.00 0.01 1.40 -2.16 -1.32 0.00 0.00 176.35 174.28 1zy1 s PRO 4 N 1.23 4.23 0.90 0.98 0.04 -1.26 -5.01 135.00 136.10 1zy1 s PRO 4 Ca 0.03 1.86 -0.11 0.00 0.04 0.00 0.00 61.00 62.82 1zy1 s PRO 4 Cb -0.14 -3.81 0.19 0.00 0.04 0.00 0.00 34.50 30.78 1zy1 s PRO 4 CO -0.07 -0.73 1.23 -1.83 0.04 0.00 0.00 177.00 175.64 1zy1 s GLU 5 N 3.51 0.83 0.03 4.56 -1.05 -1.26 -4.93 118.70 120.39 1zy1 s GLU 5 Ca 0.62 -0.74 -0.30 0.00 -0.15 0.00 0.00 54.97 54.40 1zy1 s GLU 5 Cb -0.26 -2.00 -0.04 0.00 -0.44 0.00 0.00 34.13 31.38 1zy1 s GLU 5 CO 0.21 -2.20 1.05 0.42 0.95 0.00 0.00 175.26 175.70 1zy1 s ILE 6 N -3.68 4.55 0.37 1.83 1.01 -1.26 -4.51 121.20 119.51 1zy1 s ILE 6 Ca 0.73 1.85 -0.24 0.00 0.00 0.00 0.00 60.65 62.99 1zy1 s ILE 6 Cb -0.03 -4.19 -0.10 0.00 0.01 0.00 0.00 42.46 38.15 1zy1 s ILE 6 CO 0.51 0.16 0.99 0.68 0.00 0.00 0.00 174.94 177.27 1zy1 s VAL 7 N 0.94 4.04 0.26 2.92 -7.23 0.69 -5.01 120.40 117.01 1zy1 s VAL 7 Ca 0.54 1.56 0.09 0.00 -1.81 0.00 0.00 61.98 62.36 1zy1 s VAL 7 Cb -0.24 -3.81 -0.04 0.00 0.56 0.00 0.00 36.38 32.85 1zy1 s VAL 7 CO 0.29 0.01 0.07 0.00 -0.31 0.00 0.00 175.10 175.15 1zy1 s ALA 8 N -1.73 3.31 0.29 1.32 0.00 -1.26 -4.45 121.76 119.25 1zy1 s ALA 8 Ca 0.55 -1.56 -0.25 0.00 0.00 0.00 0.00 51.96 50.70 1zy1 s ALA 8 Cb -0.18 -0.96 -0.16 0.00 0.00 0.00 0.00 23.12 21.81 1zy1 s ALA 8 CO 0.24 0.27 0.40 0.43 0.00 0.00 0.00 175.76 177.09 1zy1 n SER 9 N -0.97 -1.65 0.00 0.00 7.64 -0.68 -2.69 113.62 115.27 1zy1 n SER 9 Ca -0.07 1.01 0.00 0.00 1.01 0.00 0.00 58.87 60.82 1zy1 n SER 9 Cb 0.58 -0.96 0.00 0.00 -1.01 0.00 0.00 64.21 62.83 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 2.06 3.31 3.60 0.23 0.00 -1.26 -5.04 105.19 108.09 1zy1 n GLY 10 Ca 0.15 -0.95 -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 5.58 0.43 1.61 -1.08 -1.09 -4.83 116.67 117.28 1zy1 s ASP 11 Ca 0.00 1.74 0.34 0.00 -0.52 0.00 0.00 52.55 54.11 1zy1 s ASP 11 Cb 0.00 -2.51 1.41 0.00 -1.46 0.00 0.00 42.92 40.36 1zy1 s ASP 11 CO 0.00 -1.89 1.41 -2.65 0.52 0.00 0.00 175.17 172.57 1zy1 n PRO 12 N 8.66 -0.02 -0.14 4.34 -0.02 -1.26 -0.72 135.00 145.84 1zy1 n PRO 12 Ca 0.28 1.09 0.22 0.00 -2.02 0.00 0.00 63.50 63.07 1zy1 n PRO 12 Cb 0.45 -2.25 0.63 0.00 -0.02 0.00 0.00 33.50 32.32 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 0.67 0.00 -1.45 3.04 -1.92 -0.16 116.25 116.43 1zy1 h VAL 13 Ca 0.81 -0.05 0.00 0.00 -1.01 0.00 0.00 66.70 66.45 1zy1 h VAL 13 Cb 2.81 0.50 0.00 0.00 -2.01 0.00 0.00 31.29 32.59 1zy1 h VAL 13 CO -0.31 0.03 -0.35 -0.07 -1.01 0.00 0.00 177.57 175.86 1zy1 h LEU 14 N 0.16 0.00 -3.35 3.16 4.07 -1.19 -3.35 115.31 114.81 1zy1 h LEU 14 Ca 0.38 -0.02 -0.15 0.00 0.08 0.00 0.00 57.88 58.17 1zy1 h LEU 14 Cb 1.25 0.00 -0.09 0.00 1.08 0.00 0.00 40.66 42.90 1zy1 h LEU 14 CO -0.06 0.01 -0.02 1.41 -1.08 0.00 0.00 178.44 178.70 1zy1 n HIS 15 N -2.76 1.12 -4.08 1.13 8.25 -0.09 -3.94 115.22 114.85 1zy1 n HIS 15 Ca 0.03 -1.41 -0.14 0.00 -0.26 0.00 0.00 57.72 55.94 1zy1 n HIS 15 Cb 0.51 -0.46 -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 0.40 0.16 -0.41 2.02 -1.11 -4.70 118.70 111.92 1zy1 s GLU 16 Ca 0.44 -0.37 -0.32 0.00 0.02 0.00 0.00 54.97 54.75 1zy1 s GLU 16 Cb 0.39 -0.29 -0.11 0.00 0.10 0.00 0.00 34.13 34.22 1zy1 s GLU 16 CO 0.03 0.07 1.79 1.17 0.02 0.00 0.00 175.26 178.33 1zy1 n LYS 17 N 2.41 2.76 -2.92 1.61 4.81 -1.25 -3.62 118.16 121.97 1zy1 n LYS 17 Ca -0.17 1.00 -0.40 0.00 -0.87 0.00 0.00 58.31 57.88 1zy1 n LYS 17 Cb 0.57 -2.87 -0.06 0.00 0.02 0.00 0.00 35.03 32.69 1zy1 n LYS 17 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1zy1 s ALA 18 N 2.06 3.42 0.46 3.14 0.00 0.06 -4.97 121.76 125.93 1zy1 s ALA 18 Ca 0.79 0.43 -0.23 0.00 0.00 0.00 0.00 51.96 52.96 1zy1 s ALA 18 Cb -0.50 -3.03 -0.07 0.00 0.00 0.00 0.00 23.12 19.52 1zy1 s ALA 18 CO 0.35 0.27 1.17 1.03 0.00 0.00 0.00 175.76 178.59 1zy1 s ARG 19 N -1.17 3.73 0.45 0.00 1.81 0.38 -4.59 118.95 119.55 1zy1 s ARG 19 Ca 0.37 1.79 -0.22 0.00 -1.72 0.00 0.00 55.73 55.95 1zy1 s ARG 19 Cb -0.24 -2.39 -0.08 0.00 -0.45 0.00 0.00 34.95 31.79 1zy1 s ARG 19 CO 0.28 -0.58 1.10 -1.21 -0.68 0.00 0.00 175.30 174.20 1zy1 s GLU 20 N -2.71 3.87 0.13 3.54 2.02 -1.26 -1.59 118.70 122.70 1zy1 s GLU 20 Ca 0.64 1.59 -0.14 0.00 0.02 0.00 0.00 54.97 57.08 1zy1 s GLU 20 Cb -0.29 -2.36 -0.07 0.00 0.10 0.00 0.00 34.13 31.51 1zy1 s GLU 20 CO 0.35 -0.42 0.53 0.54 0.02 0.00 0.00 175.26 176.28 1zy1 s VAL 21 N -1.68 4.89 0.01 2.63 0.11 -1.26 -4.83 120.40 120.26 1zy1 s VAL 21 Ca 0.63 0.78 -0.30 0.00 -2.93 0.00 0.00 61.98 60.16 1zy1 s VAL 21 Cb -0.24 -3.73 -0.05 0.00 -1.53 0.00 0.00 36.38 30.84 1zy1 s VAL 21 CO 0.29 0.26 1.30 -0.62 -3.33 0.00 0.00 175.10 173.00 1zy1 s ASP 22 N -1.71 6.95 0.44 3.54 2.15 -1.26 -4.86 116.67 121.92 1zy1 s ASP 22 Ca 0.37 2.04 -0.26 0.00 0.43 0.00 0.00 52.55 55.13 1zy1 s ASP 22 Cb -0.15 -2.57 -0.09 0.00 -0.30 0.00 0.00 42.92 39.82 1zy1 s ASP 22 CO 0.19 -0.62 1.44 -2.65 -0.17 0.00 0.00 175.17 173.35 1zy1 n PRO 23 N 4.84 2.30 0.00 4.34 -0.02 -1.26 -1.29 135.00 143.91 1zy1 n PRO 23 Ca 0.11 0.82 0.00 0.00 -2.02 0.00 0.00 63.50 62.41 1zy1 n PRO 23 Cb 0.45 -2.63 0.00 0.00 -0.02 0.00 0.00 33.50 31.30 1zy1 n PRO 23 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1zy1 n GLY 24 N 0.57 2.53 0.04 -1.23 0.00 -1.26 -4.58 105.19 101.26 1zy1 n GLY 24 Ca 0.05 -0.55 0.02 0.00 0.00 0.00 0.00 46.02 45.54 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 0.03 -0.17 1.61 -0.58 -0.41 -0.85 120.64 120.27 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 -1.65 0.03 0.00 -0.57 0.00 0.00 31.44 29.25 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 1.10 0.00 -3.67 2.04 -1.75 -1.47 117.51 113.76 1zy1 h ILE 26 Ca 0.00 -0.22 0.00 0.00 1.00 0.00 0.00 64.86 65.64 1zy1 h ILE 26 Cb 0.11 0.39 0.00 0.00 -0.74 0.00 0.00 36.82 36.57 1zy1 h ILE 26 CO 0.00 0.12 0.00 1.23 0.00 0.00 0.00 178.15 179.50 1zy1 h GLY 27 N 0.65 0.00 -3.66 5.37 0.00 -1.26 -3.35 103.07 100.82 1zy1 h GLY 27 Ca 0.19 0.00 -0.55 0.00 0.00 0.00 0.00 47.33 46.97 1zy1 h GLY 27 CO -0.06 0.00 -1.07 -1.26 0.00 0.00 0.00 176.54 174.15 1zy1 n SER 28 N -3.00 -3.39 0.24 0.19 2.88 -0.55 -4.72 113.62 105.26 1zy1 n SER 28 Ca -0.01 0.60 0.15 0.00 -1.33 0.00 0.00 58.87 58.28 1zy1 n SER 28 Cb 0.18 -0.78 0.51 0.00 -0.75 0.00 0.00 64.21 63.37 1zy1 n SER 28 CO 0.00 0.00 0.00 -0.08 -1.23 0.00 0.00 175.04 173.73 1zy1 h GLU 29 N -0.02 0.00 0.13 -1.46 4.81 -1.88 -2.38 114.58 113.78 1zy1 h GLU 29 Ca -0.38 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 58.85 1zy1 h GLU 29 Cb 1.33 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.71 1zy1 h GLU 29 CO 0.38 0.00 -0.06 -0.09 -0.73 0.00 0.00 179.01 178.51 1zy1 h ARG 30 N 0.00 -0.16 -0.74 1.92 2.43 -1.90 -2.78 114.38 113.15 1zy1 h ARG 30 Ca 0.00 0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.18 1zy1 h ARG 30 Cb 0.64 0.04 -0.04 0.00 -0.42 0.00 0.00 29.97 30.19 1zy1 h ARG 30 CO 0.00 -0.11 0.47 0.82 -1.51 0.00 0.00 179.97 179.65 1zy1 h ILE 31 N -0.40 1.20 -0.83 1.20 2.04 -1.82 -0.76 117.51 118.13 1zy1 h ILE 31 Ca -0.02 -0.39 0.10 0.00 1.00 0.00 0.00 64.86 65.56 1zy1 h ILE 31 Cb 0.13 0.12 -0.08 0.00 -0.74 0.00 0.00 36.82 36.26 1zy1 h ILE 31 CO 0.03 0.20 0.47 1.56 0.00 0.00 0.00 178.15 180.40 1zy1 h GLN 32 N 1.01 0.75 -0.27 2.37 1.08 -1.55 -1.09 115.11 117.41 1zy1 h GLN 32 Ca 0.27 -0.05 0.02 0.00 -1.45 0.00 0.00 58.65 57.44 1zy1 h GLN 32 Cb -0.09 -0.17 -0.02 0.00 -0.05 0.00 0.00 27.48 27.15 1zy1 h GLN 32 CO -0.06 0.50 0.13 -0.22 -0.95 0.00 0.00 178.83 178.23 1zy1 h LYS 33 N 0.77 0.27 -0.46 1.46 3.11 -0.84 -2.34 116.57 118.53 1zy1 h LYS 33 Ca 0.41 -0.02 0.08 0.00 -2.81 0.00 0.00 60.65 58.31 1zy1 h LYS 33 Cb 0.40 -0.06 -0.06 0.00 -1.00 0.00 0.00 32.23 31.50 1zy1 h LYS 33 CO -0.26 0.18 0.09 0.82 -2.81 0.00 0.00 179.45 177.46 1zy1 h ILE 34 N 0.28 0.74 -0.90 2.00 2.04 -0.91 -0.41 117.51 120.35 1zy1 h ILE 34 Ca 0.11 -0.07 0.12 0.00 1.00 0.00 0.00 64.86 66.02 1zy1 h ILE 34 Cb 0.03 0.50 -0.07 0.00 -0.74 0.00 0.00 36.82 36.55 1zy1 h ILE 34 CO -0.08 0.04 0.58 0.40 0.00 0.00 0.00 178.15 179.09 1zy1 h ILE 35 N 0.22 0.90 -0.09 -0.67 2.04 -0.90 0.74 117.51 119.76 1zy1 h ILE 35 Ca 0.23 -0.28 -0.01 0.00 1.00 0.00 0.00 64.86 65.80 1zy1 h ILE 35 Cb 0.30 0.03 -0.00 0.00 -0.74 0.00 0.00 36.82 36.40 1zy1 h ILE 35 CO -0.31 0.15 0.01 0.44 0.00 0.00 0.00 178.15 178.44 1zy1 h ASP 36 N 0.81 0.14 0.16 1.72 3.32 -0.59 -2.15 116.42 119.82 1zy1 h ASP 36 Ca 0.44 -0.27 0.01 0.00 0.02 0.00 0.00 57.03 57.23 1zy1 h ASP 36 Cb 0.55 -0.04 -0.03 0.00 0.22 0.00 0.00 39.33 40.03 1zy1 h ASP 36 CO -0.20 0.37 -0.27 0.44 -1.72 0.00 0.00 179.24 177.87 1zy1 h ASP 37 N -0.10 -0.76 -0.25 6.45 5.19 -0.30 -0.94 116.42 125.71 1zy1 h ASP 37 Ca 0.03 0.08 0.05 0.00 -0.62 0.00 0.00 57.03 56.57 1zy1 h ASP 37 Cb 0.30 0.28 -0.08 0.00 0.18 0.00 0.00 39.33 40.01 1zy1 h ASP 37 CO 0.00 -0.37 -0.43 0.24 -3.12 0.00 0.00 179.24 175.57 1zy1 h MET 38 N -0.50 -0.40 -0.99 3.56 2.86 -0.89 0.11 114.93 118.67 1zy1 h MET 38 Ca 0.02 0.03 0.20 0.00 -2.06 0.00 0.00 59.70 57.88 1zy1 h MET 38 Cb 0.51 0.09 -0.11 0.00 0.06 0.00 0.00 31.60 32.15 1zy1 h MET 38 CO -0.13 -0.27 0.59 0.82 1.06 0.00 0.00 176.91 178.98 1zy1 h ILE 39 N -0.42 0.68 0.04 -1.22 2.04 -1.10 0.19 117.51 117.72 1zy1 h ILE 39 Ca 0.10 -0.25 -0.00 0.00 1.00 0.00 0.00 64.86 65.71 1zy1 h ILE 39 Cb 0.61 -0.11 0.00 0.00 -0.74 0.00 0.00 36.82 36.58 1zy1 h ILE 39 CO -0.48 0.13 -0.02 0.11 0.00 0.00 0.00 178.15 177.90 1zy1 h LYS 40 N 0.72 -0.05 -0.42 2.37 1.57 0.50 -2.67 116.57 118.60 1zy1 h LYS 40 Ca 0.58 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 59.36 1zy1 h LYS 40 Cb 0.93 0.01 -0.02 0.00 0.08 0.00 0.00 32.23 33.23 1zy1 h LYS 40 CO -0.40 0.21 0.25 0.28 -0.57 0.00 0.00 179.45 179.23 1zy1 h VAL 41 N -0.31 1.13 -0.22 0.50 2.07 0.22 0.70 116.25 120.34 1zy1 h VAL 41 Ca -0.01 -0.31 0.06 0.00 0.82 0.00 0.00 66.70 67.27 1zy1 h VAL 41 Cb 0.29 0.58 -0.01 0.00 -1.52 0.00 0.00 31.29 30.63 1zy1 h VAL 41 CO 0.01 0.14 0.17 -0.03 0.02 0.00 0.00 177.57 177.87 1zy1 h MET 42 N 0.56 0.00 0.03 1.57 1.85 -0.68 -1.38 114.93 116.88 1zy1 h MET 42 Ca 0.15 0.00 -0.33 0.00 -0.61 0.00 0.00 59.70 58.91 1zy1 h MET 42 Cb -0.00 0.00 -0.05 0.00 0.43 0.00 0.00 31.60 31.98 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 -4.31 0.67 -0.29 0.39 1.74 -0.76 -1.03 116.66 113.07 1zy1 n ARG 43 Ca 0.02 0.23 -0.06 0.00 -0.77 0.00 0.00 57.85 57.28 1zy1 n ARG 43 Cb 0.31 -1.71 0.07 0.00 -1.02 0.00 0.00 32.46 30.11 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 1.10 -9.25 0.55 5.85 0.13 -3.38 115.31 110.34 1zy1 h LEU 44 Ca -0.38 -0.17 -0.67 0.00 0.84 0.00 0.00 57.88 57.50 1zy1 h LEU 44 Cb 2.05 -0.29 -0.15 0.00 0.37 0.00 0.00 40.66 42.64 1zy1 h LEU 44 CO 0.06 0.97 -0.61 0.00 -0.34 0.00 0.00 178.44 178.52 1zy1 s ALA 45 N -5.56 3.30 -0.79 1.25 0.00 -0.61 -4.98 121.76 114.38 1zy1 s ALA 45 Ca -0.12 -0.79 -0.26 0.00 0.00 0.00 0.00 51.96 50.79 1zy1 s ALA 45 Cb 0.16 -1.55 -0.14 0.00 0.00 0.00 0.00 23.12 21.58 1zy1 s ALA 45 CO 0.84 0.52 2.42 -2.30 0.00 0.00 0.00 175.76 177.24 1zy1 n PRO 46 N 2.39 0.57 -4.37 0.00 -0.02 -1.26 -4.63 135.00 127.68 1zy1 n PRO 46 Ca -0.18 -0.85 -0.26 0.00 -2.02 0.00 0.00 63.50 60.19 1zy1 n PRO 46 Cb 0.53 -3.70 -0.12 0.00 -0.02 0.00 0.00 33.50 30.19 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 10.94 1.51 0.00 -1.23 0.00 -0.19 -5.03 107.32 113.32 1zy1 s GLY 47 Ca 0.93 -1.49 0.18 0.00 0.00 0.00 0.00 44.72 44.34 1zy1 s GLY 47 CO 0.08 -1.51 0.90 3.33 0.00 0.00 0.00 173.10 175.90 1zy1 n VAL 48 N 0.57 0.00 -3.88 1.40 0.24 -1.26 -4.60 118.33 110.79 1zy1 n VAL 48 Ca -0.15 -0.29 -0.09 0.00 -2.04 0.00 0.00 64.34 61.77 1zy1 n VAL 48 Cb 0.55 1.19 -0.04 0.00 -1.47 0.00 0.00 33.84 34.07 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 -2.10 0.19 -0.29 7.63 0.00 -1.26 -1.86 107.32 109.63 1zy1 s GLY 49 Ca 0.14 -0.54 -0.20 0.00 0.00 0.00 0.00 44.72 44.11 1zy1 s GLY 49 CO 0.47 -0.40 1.16 -2.27 0.00 0.00 0.00 173.10 172.06 1zy1 s LEU 50 N -2.95 -0.29 0.05 0.66 1.98 -0.24 -4.88 118.68 113.01 1zy1 s LEU 50 Ca 0.15 0.51 0.07 0.00 -2.89 0.00 0.00 54.13 51.98 1zy1 s LEU 50 Cb -0.02 1.49 -0.03 0.00 0.66 0.00 0.00 46.19 48.29 1zy1 s LEU 50 CO 0.04 -0.08 -0.18 0.00 -1.89 0.00 0.00 176.35 174.23 1zy1 s ALA 51 N 0.69 2.58 0.27 5.97 0.00 -1.26 -1.34 121.76 128.66 1zy1 s ALA 51 Ca -0.02 -1.21 -0.10 0.00 0.00 0.00 0.00 51.96 50.64 1zy1 s ALA 51 Cb -0.04 -0.72 0.42 0.00 0.00 0.00 0.00 23.12 22.78 1zy1 s ALA 51 CO -0.12 0.57 1.54 0.00 0.00 0.00 0.00 175.76 177.76 1zy1 n ALA 52 N 1.51 0.18 -0.01 0.00 0.00 -0.46 0.19 120.51 121.92 1zy1 n ALA 52 Ca -0.16 1.07 0.22 0.00 0.00 0.00 0.00 53.44 54.57 1zy1 n ALA 52 Cb 0.52 -0.62 0.72 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 -1.53 0.47 132.00 131.05 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 0.70 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.81 1zy1 h PRO 53 CO -1.01 0.00 0.00 1.96 -0.21 0.00 0.00 178.00 178.74 1zy1 h GLN 54 N 0.00 0.00 -0.24 1.05 4.20 -0.56 0.85 115.11 120.41 1zy1 h GLN 54 Ca 0.27 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.98 1zy1 h GLN 54 Cb 1.17 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.95 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 1.41 -0.51 2.54 -5.35 0.06 -0.22 119.36 114.43 1zy1 n ILE 55 Ca -0.01 -1.33 0.00 0.00 -0.27 0.00 0.00 62.75 61.14 1zy1 n ILE 55 Cb 0.15 0.25 0.00 0.00 -1.74 0.00 0.00 39.64 38.29 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 -0.07 0.74 3.44 3.28 0.00 0.29 -4.85 105.19 108.02 1zy1 n GLY 56 Ca 0.13 -0.04 -0.41 0.00 0.00 0.00 0.00 46.02 45.69 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 4.95 0.00 1.61 1.01 -0.60 -4.92 120.40 120.45 1zy1 s VAL 57 Ca 0.00 -0.65 0.00 0.00 0.00 0.00 0.00 61.98 61.33 1zy1 s VAL 57 Cb 0.00 -3.71 0.00 0.00 0.00 0.00 0.00 36.38 32.67 1zy1 s VAL 57 CO 0.00 -0.21 1.06 -0.81 0.00 0.00 0.00 175.10 175.14 1zy1 n PRO 58 N 5.08 0.57 -4.21 2.72 -0.04 -1.26 -1.68 135.00 136.18 1zy1 n PRO 58 Ca -0.12 0.00 -0.24 0.00 -0.04 0.00 0.00 63.50 63.11 1zy1 n PRO 58 Cb 0.47 -1.22 -0.06 0.00 -0.04 0.00 0.00 33.50 32.65 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 3.44 -1.05 1.53 2.01 -1.26 -0.47 118.68 122.88 1zy1 s LEU 59 Ca 0.00 -0.44 -0.16 0.00 0.01 0.00 0.00 54.13 53.55 1zy1 s LEU 59 Cb 0.00 -2.00 0.16 0.00 0.01 0.00 0.00 46.19 44.36 1zy1 s LEU 59 CO 0.00 0.02 1.23 -0.13 1.01 0.00 0.00 176.35 178.48 1zy1 s ARG 60 N -3.51 3.85 -0.07 1.70 0.52 -0.62 -4.41 118.95 116.40 1zy1 s ARG 60 Ca 0.31 -2.25 -0.03 0.00 -0.52 0.00 0.00 55.73 53.23 1zy1 s ARG 60 Cb -0.08 -4.92 0.04 0.00 0.52 0.00 0.00 34.95 30.51 1zy1 s ARG 60 CO 0.21 -1.70 0.16 0.42 0.02 0.00 0.00 175.30 174.41 1zy1 s ILE 61 N 1.78 -0.08 0.07 1.52 1.01 -1.26 0.37 121.20 124.60 1zy1 s ILE 61 Ca 0.36 0.20 0.06 0.00 0.00 0.00 0.00 60.65 61.26 1zy1 s ILE 61 Cb -0.05 -0.27 -0.03 0.00 0.01 0.00 0.00 42.46 42.13 1zy1 s ILE 61 CO -0.05 0.08 -0.15 0.27 0.00 0.00 0.00 174.94 175.08 1zy1 s ILE 62 N 1.34 1.22 -0.03 2.92 -4.36 -0.35 -1.36 121.20 120.58 1zy1 s ILE 62 Ca -0.08 -1.28 0.02 0.00 -0.26 0.00 0.00 60.65 59.05 1zy1 s ILE 62 Cb -0.12 -1.15 0.01 0.00 1.25 0.00 0.00 42.46 42.46 1zy1 s ILE 62 CO -0.06 -0.14 -0.08 0.68 0.24 0.00 0.00 174.94 175.58 1zy1 s VAL 63 N -1.16 0.71 0.08 8.37 -7.23 -0.45 -1.22 120.40 119.50 1zy1 s VAL 63 Ca 0.00 -0.29 0.01 0.00 -1.81 0.00 0.00 61.98 59.90 1zy1 s VAL 63 Cb -0.10 -0.67 -0.04 0.00 0.56 0.00 0.00 36.38 36.14 1zy1 s VAL 63 CO 0.02 0.24 -0.06 -1.48 -0.31 0.00 0.00 175.10 173.52 1zy1 s LEU 64 N 0.46 2.49 -0.30 1.32 2.34 -0.73 -1.07 118.68 123.19 1zy1 s LEU 64 Ca -0.07 -0.98 -0.20 0.00 0.06 0.00 0.00 54.13 52.95 1zy1 s LEU 64 Cb -0.11 -0.00 0.21 0.00 -0.56 0.00 0.00 46.19 45.72 1zy1 s LEU 64 CO 0.01 -0.49 1.36 -0.70 -1.06 0.00 0.00 176.35 175.47 1zy1 s GLU 65 N -3.72 0.03 -0.24 1.48 2.12 -0.78 -0.71 118.70 116.88 1zy1 s GLU 65 Ca 0.09 0.05 0.01 0.00 0.36 0.00 0.00 54.97 55.48 1zy1 s GLU 65 Cb 0.05 0.01 0.06 0.00 0.26 0.00 0.00 34.13 34.51 1zy1 s GLU 65 CO -0.06 -0.01 -0.05 0.34 -0.54 0.00 0.00 175.26 174.94 1zy1 s ASP 66 N 0.60 3.97 0.39 -1.70 -1.08 -0.94 -4.57 116.67 113.34 1zy1 s ASP 66 Ca -0.01 -1.25 -0.24 0.00 -0.52 0.00 0.00 52.55 50.53 1zy1 s ASP 66 Cb -0.03 -1.24 -0.10 0.00 -1.46 0.00 0.00 42.92 40.10 1zy1 s ASP 66 CO -0.12 -0.24 1.00 0.42 0.52 0.00 0.00 175.17 176.75 1zy1 s THR 67 N 1.34 3.97 -2.00 1.71 -4.23 -1.26 -1.74 115.64 113.43 1zy1 s THR 67 Ca -0.05 1.47 0.03 0.00 -1.18 0.00 0.00 61.69 61.95 1zy1 s THR 67 Cb -0.19 -3.74 0.08 0.00 1.34 0.00 0.00 72.50 69.99 1zy1 s THR 67 CO -0.07 -0.03 0.67 0.29 -0.54 0.00 0.00 174.62 174.95 1zy1 n LYS 68 N -0.05 0.53 -0.10 3.99 5.02 -1.26 -1.77 118.16 124.51 1zy1 n LYS 68 Ca 0.05 0.00 -0.15 0.00 -2.02 0.00 0.00 58.31 56.19 1zy1 n LYS 68 Cb 0.51 -1.08 -0.09 0.00 -0.02 0.00 0.00 35.03 34.35 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 -0.58 0.50 0.24 1.97 2.13 -1.26 -3.64 120.64 120.01 1zy1 n GLU 69 Ca 0.02 0.13 -0.17 0.00 0.66 0.00 0.00 57.16 57.80 1zy1 n GLU 69 Cb 0.01 -1.39 -0.09 0.00 0.27 0.00 0.00 31.44 30.24 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 -0.09 -1.28 -0.77 4.31 0.05 -1.73 -2.47 116.97 114.99 1zy1 h TYR 70 Ca -0.47 0.01 0.18 0.00 0.05 0.00 0.00 58.73 58.50 1zy1 h TYR 70 Cb 1.68 0.51 -0.12 0.00 1.01 0.00 0.00 36.73 39.80 1zy1 h TYR 70 CO 0.01 -0.61 0.13 0.82 -1.05 0.00 0.00 178.16 177.46 1zy1 h ILE 71 N -0.89 0.42 -0.98 -2.88 2.04 -1.72 -1.67 117.51 111.84 1zy1 h ILE 71 Ca -0.04 -0.07 0.33 0.00 1.00 0.00 0.00 64.86 66.08 1zy1 h ILE 71 Cb 0.80 0.20 -0.16 0.00 -0.74 0.00 0.00 36.82 36.92 1zy1 h ILE 71 CO -0.10 0.04 0.45 0.77 0.00 0.00 0.00 178.15 179.30 1zy1 h SER 72 N 0.20 0.27 -0.24 1.72 4.64 -1.51 -2.50 113.55 116.14 1zy1 h SER 72 Ca 0.44 0.22 -0.31 0.00 -0.47 0.00 0.00 61.79 61.67 1zy1 h SER 72 Cb 0.79 0.23 -0.08 0.00 -0.31 0.00 0.00 62.40 63.03 1zy1 h SER 72 CO -0.59 -0.25 0.24 -1.22 -0.87 0.00 0.00 176.83 174.14 1zy1 n TYR 73 N -5.19 0.61 -3.48 4.77 4.02 -0.63 -4.85 117.16 112.41 1zy1 n TYR 73 Ca 0.31 -1.77 -0.13 0.00 -0.01 0.00 0.00 57.90 56.30 1zy1 n TYR 73 Cb 0.99 -1.65 -0.03 0.00 -0.02 0.00 0.00 39.34 38.63 1zy1 n TYR 73 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1zy1 s ALA 74 N 0.52 -1.52 -0.04 -0.72 0.00 -0.94 -5.10 121.76 113.96 1zy1 s ALA 74 Ca 0.65 0.58 -0.33 0.00 0.00 0.00 0.00 51.96 52.87 1zy1 s ALA 74 Cb 0.32 0.66 -0.11 0.00 0.00 0.00 0.00 23.12 23.98 1zy1 s ALA 74 CO -0.05 -0.66 1.91 -2.30 0.00 0.00 0.00 175.76 174.66 1zy1 n PRO 75 N -0.05 2.42 -0.16 0.00 -0.02 -1.26 -4.83 135.00 131.09 1zy1 n PRO 75 Ca -0.17 0.89 0.08 0.00 -2.02 0.00 0.00 63.50 62.27 1zy1 n PRO 75 Cb 0.63 -2.77 0.38 0.00 -0.02 0.00 0.00 33.50 31.72 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 9.59 0.66 -0.83 -0.52 -0.00 -1.93 0.23 116.57 123.77 1zy1 h LYS 76 Ca -0.49 -0.04 0.06 0.00 -0.00 0.00 0.00 60.65 60.18 1zy1 h LYS 76 Cb 1.26 -0.15 -0.06 0.00 -0.00 0.00 0.00 32.23 33.28 1zy1 h LYS 76 CO 0.94 0.44 0.51 1.05 -0.00 0.00 0.00 179.45 182.39 1zy1 h GLU 77 N 0.68 0.91 0.25 0.07 -0.00 -1.99 -0.91 114.58 113.60 1zy1 h GLU 77 Ca 0.31 -0.06 -0.01 0.00 -0.00 0.00 0.00 59.36 59.60 1zy1 h GLU 77 Cb 0.33 -0.21 0.00 0.00 -0.00 0.00 0.00 28.75 28.88 1zy1 h GLU 77 CO -0.10 0.61 -0.12 1.49 -0.00 0.00 0.00 179.01 180.88 1zy1 h GLU 78 N 0.94 -0.33 -0.40 1.06 4.81 -1.05 -2.60 114.58 117.01 1zy1 h GLU 78 Ca 0.36 0.02 0.10 0.00 -0.13 0.00 0.00 59.36 59.71 1zy1 h GLU 78 Cb 0.14 0.07 -0.02 0.00 0.63 0.00 0.00 28.75 29.58 1zy1 h GLU 78 CO -0.16 -0.02 0.29 -0.84 -0.73 0.00 0.00 179.01 177.55 1zy1 h ILE 79 N -0.97 0.83 -0.16 2.32 -0.00 -0.75 0.20 117.51 118.98 1zy1 h ILE 79 Ca -0.03 -0.02 -0.16 0.00 -0.00 0.00 0.00 64.86 64.64 1zy1 h ILE 79 Cb 0.46 0.76 0.01 0.00 -0.00 0.00 0.00 36.82 38.05 1zy1 h ILE 79 CO 0.06 0.01 -0.53 -0.07 -0.00 0.00 0.00 178.15 177.62 1zy1 h LEU 80 N 0.07 0.74 -0.55 0.16 -0.00 -1.23 -1.56 115.31 112.93 1zy1 h LEU 80 Ca 0.19 -0.60 0.02 0.00 -0.00 0.00 0.00 57.88 57.49 1zy1 h LEU 80 Cb 0.67 -0.22 -0.03 0.00 -0.00 0.00 0.00 40.66 41.08 1zy1 h LEU 80 CO -0.01 1.21 0.34 0.00 -0.00 0.00 0.00 178.44 179.98 1zy1 h ALA 81 N 0.54 0.71 -0.04 1.53 0.00 -0.61 -1.96 119.26 119.43 1zy1 h ALA 81 Ca -0.02 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1zy1 h ALA 81 Cb 1.16 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.77 1zy1 h ALA 81 CO 0.11 0.07 0.00 0.00 0.00 0.00 0.00 179.25 179.43 1zy1 n GLN 82 N -4.76 1.09 -4.14 0.00 10.64 -0.40 -4.88 117.38 114.93 1zy1 n GLN 82 Ca 0.04 -0.14 -0.31 0.00 -1.83 0.00 0.00 57.00 54.76 1zy1 n GLN 82 Cb 0.07 -1.04 -0.04 0.00 -0.86 0.00 0.00 30.24 28.36 1zy1 n GLN 82 CO 0.00 0.00 0.00 0.39 -1.83 0.00 0.00 177.06 175.62 1zy1 n GLU 83 N -0.37 -2.65 -2.99 2.61 1.02 -0.74 -2.57 120.64 114.94 1zy1 n GLU 83 Ca 0.01 0.32 -0.44 0.00 -0.02 0.00 0.00 57.16 57.03 1zy1 n GLU 83 Cb 0.04 -4.54 -0.03 0.00 -0.02 0.00 0.00 31.44 26.89 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 -6.87 3.38 0.04 3.49 3.52 -0.61 -3.09 118.95 118.81 1zy1 s ARG 84 Ca 0.29 -1.55 -0.00 0.00 -0.13 0.00 0.00 55.73 54.34 1zy1 s ARG 84 Cb -0.16 -4.58 -0.04 0.00 -1.56 0.00 0.00 34.95 28.61 1zy1 s ARG 84 CO 0.93 -1.68 0.19 1.03 -0.81 0.00 0.00 175.30 174.95 1zy1 s ARG 85 N 2.71 3.37 0.53 5.12 0.52 -1.26 -4.90 118.95 125.04 1zy1 s ARG 85 Ca 0.24 -0.44 -0.18 0.00 -0.52 0.00 0.00 55.73 54.84 1zy1 s ARG 85 Cb -0.12 -3.02 -0.07 0.00 0.52 0.00 0.00 34.95 32.26 1zy1 s ARG 85 CO -0.02 0.62 1.02 -3.38 0.02 0.00 0.00 175.30 173.57 1zy1 s HIS 86 N -1.44 3.15 0.04 -0.53 -3.43 -1.26 -4.83 115.29 106.99 1zy1 s HIS 86 Ca 0.32 1.53 -0.12 0.00 -0.80 0.00 0.00 55.06 55.98 1zy1 s HIS 86 Cb -0.13 -2.95 0.02 0.00 -1.43 0.00 0.00 32.58 28.09 1zy1 s HIS 86 CO 0.25 -0.74 0.27 -0.59 -2.00 0.00 0.00 174.74 171.93 1zy1 s PHE 87 N -2.35 -0.06 0.73 0.38 -0.71 -0.71 -4.96 117.98 110.30 1zy1 s PHE 87 Ca 0.63 -0.10 -0.11 0.00 -1.04 0.00 0.00 56.93 56.31 1zy1 s PHE 87 Cb -0.14 0.06 0.03 0.00 -1.21 0.00 0.00 43.02 41.76 1zy1 s PHE 87 CO 0.29 -0.48 1.07 -0.51 -1.34 0.00 0.00 175.22 174.24 1zy1 s ASP 88 N -2.08 5.02 0.37 1.98 1.01 -1.26 -2.21 116.67 119.50 1zy1 s ASP 88 Ca -0.05 1.56 -0.24 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 -1.67 0.54 -0.11 0.21 0.00 0.00 175.17 174.11 1zy1 n LEU 89 N -3.27 -0.34 -3.82 1.23 7.94 -1.26 -4.66 117.00 112.83 1zy1 n LEU 89 Ca 0.08 0.96 -0.13 0.00 -1.11 0.00 0.00 56.01 55.81 1zy1 n LEU 89 Cb 0.54 -1.08 -0.13 0.00 0.53 0.00 0.00 43.42 43.28 1zy1 n LEU 89 CO 0.56 -2.89 -0.23 -0.32 -1.11 0.00 0.00 177.39 173.40 1zy1 s MET 90 N -1.42 0.13 -0.05 1.96 -2.45 0.11 -4.98 119.30 112.60 1zy1 s MET 90 Ca 0.62 0.20 0.03 0.00 -1.25 0.00 0.00 55.69 55.30 1zy1 s MET 90 Cb -0.67 0.02 0.00 0.00 1.25 0.00 0.00 34.83 35.44 1zy1 s MET 90 CO 0.59 -0.04 -0.14 0.08 1.05 0.00 0.00 175.02 176.55 1zy1 s VAL 91 N 0.26 1.23 -0.05 10.11 1.01 -1.26 -1.77 120.40 129.93 1zy1 s VAL 91 Ca -0.02 -0.58 -0.01 0.00 0.00 0.00 0.00 61.98 61.37 1zy1 s VAL 91 Cb -0.03 -1.08 0.03 0.00 0.00 0.00 0.00 36.38 35.30 1zy1 s VAL 91 CO -0.01 0.36 0.03 -0.04 0.00 0.00 0.00 175.10 175.45 1zy1 s MET 92 N 0.24 0.17 -0.02 2.72 -1.94 -0.36 -3.89 119.30 116.22 1zy1 s MET 92 Ca -0.07 0.25 -0.02 0.00 -1.71 0.00 0.00 55.69 54.14 1zy1 s MET 92 Cb -0.12 -0.61 -0.04 0.00 2.01 0.00 0.00 34.83 36.07 1zy1 s MET 92 CO 0.02 -0.28 0.13 0.14 -0.01 0.00 0.00 175.02 175.02 1zy1 s VAL 93 N 1.86 5.09 -1.56 -6.03 -7.23 -0.58 -1.21 120.40 110.74 1zy1 s VAL 93 Ca 0.02 -0.26 -0.12 0.00 -1.81 0.00 0.00 61.98 59.82 1zy1 s VAL 93 Cb -0.12 -3.34 0.09 0.00 0.56 0.00 0.00 36.38 33.57 1zy1 s VAL 93 CO -0.03 0.36 0.76 0.59 -0.31 0.00 0.00 175.10 176.46 1zy1 n ASN 94 N 1.14 -2.92 -4.76 4.85 4.13 0.16 -2.06 115.26 115.80 1zy1 n ASN 94 Ca -0.13 -0.93 -0.34 0.00 1.68 0.00 0.00 54.58 54.87 1zy1 n ASN 94 Cb 0.53 -3.27 0.05 0.00 -1.54 0.00 0.00 39.78 35.55 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 -6.68 2.79 -0.16 3.52 0.04 -1.26 -4.46 135.00 128.80 1zy1 s PRO 95 Ca 0.49 1.50 -0.03 0.00 0.04 0.00 0.00 61.00 63.01 1zy1 s PRO 95 Cb -0.26 -1.94 0.05 0.00 0.04 0.00 0.00 34.50 32.39 1zy1 s PRO 95 CO 0.88 -1.27 0.03 0.08 0.04 0.00 0.00 177.00 176.76 1zy1 s VAL 96 N -2.16 0.44 -0.05 -0.36 1.01 -0.47 -4.95 120.40 113.85 1zy1 s VAL 96 Ca 0.69 -0.36 -0.06 0.00 0.00 0.00 0.00 61.98 62.26 1zy1 s VAL 96 Cb -0.23 -0.87 -0.04 0.00 0.00 0.00 0.00 36.38 35.24 1zy1 s VAL 96 CO 0.39 -0.10 0.20 -0.22 0.00 0.00 0.00 175.10 175.37 1zy1 s LEU 97 N 1.91 4.38 -0.16 3.92 0.20 -1.26 -1.08 118.68 126.59 1zy1 s LEU 97 Ca 0.01 0.47 -0.10 0.00 0.69 0.00 0.00 54.13 55.20 1zy1 s LEU 97 Cb -0.16 -2.43 0.05 0.00 -0.43 0.00 0.00 46.19 43.23 1zy1 s LEU 97 CO -0.07 0.32 0.39 -0.75 -0.29 0.00 0.00 176.35 175.94 1zy1 s LYS 98 N -1.52 0.38 0.42 1.98 2.47 -0.70 -5.01 119.74 117.75 1zy1 s LYS 98 Ca 0.23 0.71 -0.25 0.00 -1.56 0.00 0.00 55.97 55.09 1zy1 s LYS 98 Cb -0.13 0.02 -0.08 0.00 -1.46 0.00 0.00 37.83 36.18 1zy1 s LYS 98 CO 0.12 -0.14 1.23 -1.83 0.16 0.00 0.00 175.35 174.90 1zy1 s GLU 99 N 1.14 3.94 0.00 4.03 1.03 -1.26 -0.91 118.70 126.67 1zy1 s GLU 99 Ca -0.08 1.98 0.26 0.00 0.03 0.00 0.00 54.97 57.16 1zy1 s GLU 99 Cb -0.07 -2.66 0.65 0.00 -0.80 0.00 0.00 34.13 31.24 1zy1 s GLU 99 CO -0.10 -0.46 1.50 0.54 -1.33 0.00 0.00 175.26 175.42 1zy1 n ARG 100 N -0.02 0.34 -3.60 -4.83 1.74 0.39 -4.80 116.66 105.87 1zy1 n ARG 100 Ca 0.05 -0.19 -0.05 0.00 -0.77 0.00 0.00 57.85 56.89 1zy1 n ARG 100 Cb 0.45 -1.50 -0.03 0.00 -1.02 0.00 0.00 32.46 30.37 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 -2.80 -0.15 0.00 0.55 1.04 -1.25 -5.00 113.70 106.10 1zy1 s SER 101 Ca 0.17 0.06 0.14 0.00 0.48 0.00 0.00 55.95 56.79 1zy1 s SER 101 Cb 0.18 0.14 0.81 0.00 0.10 0.00 0.00 66.02 67.26 1zy1 s SER 101 CO 0.62 -0.21 1.36 -0.46 0.98 0.00 0.00 173.24 175.53 1zy1 n ASN 102 N 0.12 0.00 -4.72 7.02 6.94 -1.26 -4.62 115.26 118.74 1zy1 n ASN 102 Ca -0.01 -1.12 -0.42 0.00 -0.02 0.00 0.00 54.58 53.01 1zy1 n ASN 102 Cb 0.58 0.00 -0.03 0.00 -2.36 0.00 0.00 39.78 37.98 1zy1 n ASN 102 CO 0.00 0.00 0.00 -1.59 -1.03 0.00 0.00 177.26 174.64 1zy1 s LYS 103 N -2.00 4.13 0.26 -3.83 0.00 -1.26 -4.90 119.74 112.15 1zy1 s LYS 103 Ca 0.20 2.58 0.05 0.00 0.00 0.00 0.00 55.97 58.80 1zy1 s LYS 103 Cb 0.09 -3.08 -0.06 0.00 0.00 0.00 0.00 37.83 34.79 1zy1 s LYS 103 CO 0.16 -0.72 -0.03 0.15 0.00 0.00 0.00 175.35 174.91 1zy1 s LYS 104 N 0.94 1.48 0.05 1.78 1.02 -1.26 0.36 119.74 124.10 1zy1 s LYS 104 Ca 0.73 -1.75 -0.00 0.00 0.02 0.00 0.00 55.97 54.96 1zy1 s LYS 104 Cb -0.49 -0.92 -0.04 0.00 -0.52 0.00 0.00 37.83 35.87 1zy1 s LYS 104 CO 0.34 -0.04 -0.03 0.00 -0.92 0.00 0.00 175.35 174.70 1zy1 s ALA 105 N -3.20 0.48 -0.16 5.17 0.00 0.18 -3.77 121.76 120.46 1zy1 s ALA 105 Ca 0.30 -1.09 -0.01 0.00 0.00 0.00 0.00 51.96 51.16 1zy1 s ALA 105 Cb 0.05 0.23 0.04 0.00 0.00 0.00 0.00 23.12 23.44 1zy1 s ALA 105 CO 0.11 -0.31 -0.03 -1.17 0.00 0.00 0.00 175.76 174.36 1zy1 s LEU 106 N -2.60 1.46 0.24 0.00 0.20 0.04 -1.04 118.68 116.97 1zy1 s LEU 106 Ca 0.02 -0.63 -0.09 0.00 0.69 0.00 0.00 54.13 54.12 1zy1 s LEU 106 Cb 0.04 -0.82 -0.01 0.00 -0.43 0.00 0.00 46.19 44.96 1zy1 s LEU 106 CO -0.07 -0.20 0.38 -0.36 -0.29 0.00 0.00 176.35 175.80 1zy1 s PHE 107 N 1.70 0.60 -0.01 5.38 0.40 -1.20 -1.81 117.98 123.03 1zy1 s PHE 107 Ca 0.01 -0.92 -0.30 0.00 -0.60 0.00 0.00 56.93 55.12 1zy1 s PHE 107 Cb -0.15 -0.02 -0.03 0.00 0.51 0.00 0.00 43.02 43.32 1zy1 s PHE 107 CO -0.07 -0.90 1.04 -0.06 0.70 0.00 0.00 175.22 175.92 1zy1 s PHE 108 N -4.04 3.56 0.30 0.36 0.40 -1.26 -1.54 117.98 115.77 1zy1 s PHE 108 Ca 0.27 1.58 0.10 0.00 -0.60 0.00 0.00 56.93 58.28 1zy1 s PHE 108 Cb 0.01 -3.21 -0.05 0.00 0.51 0.00 0.00 43.02 40.29 1zy1 s PHE 108 CO 0.10 -0.36 -0.03 -1.21 0.70 0.00 0.00 175.22 174.42 1zy1 s GLU 109 N 1.28 2.10 -0.07 0.44 2.02 -0.56 -4.88 118.70 119.03 1zy1 s GLU 109 Ca 0.53 -1.62 -0.15 0.00 0.02 0.00 0.00 54.97 53.74 1zy1 s GLU 109 Cb -0.22 -2.00 0.03 0.00 0.10 0.00 0.00 34.13 32.04 1zy1 s GLU 109 CO 0.26 0.26 0.37 0.20 0.02 0.00 0.00 175.26 176.36 1zy1 s GLY 110 N -3.67 -0.23 0.15 -1.39 0.00 -1.26 -1.77 107.32 99.14 1zy1 s GLY 110 Ca 0.33 0.68 0.11 0.00 0.00 0.00 0.00 44.72 45.84 1zy1 s GLY 110 CO 0.19 0.48 -0.24 0.00 0.00 0.00 0.00 173.10 173.54 1zy1 n LEU 112 N 0.66 0.20 -0.88 0.00 4.77 -1.26 -2.37 117.00 118.12 1zy1 n LEU 112 Ca -0.16 0.52 0.12 0.00 -0.03 0.00 0.00 56.01 56.47 1zy1 n LEU 112 Cb 0.54 -0.46 0.22 0.00 -2.33 0.00 0.00 43.42 41.39 1zy1 n LEU 112 CO 0.26 -0.08 0.70 -1.20 -1.33 0.00 0.00 177.39 175.74 1zy1 n SER 113 N -1.69 2.71 -3.09 -1.43 7.64 -1.26 -4.39 113.62 112.11 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 0.34 -0.05 -0.04 0.00 -1.01 0.00 0.00 64.21 63.45 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 -0.55 -3.32 0.44 0.31 -1.00 -1.68 118.33 113.61 1zy1 n VAL 114 Ca 0.16 -3.28 -0.31 0.00 -0.01 0.00 0.00 64.34 60.90 1zy1 n VAL 114 Cb 0.54 -1.02 -0.05 0.00 -0.91 0.00 0.00 33.84 32.40 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 -1.16 6.59 0.00 4.52 -4.77 -1.22 -3.84 116.67 116.79 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 -0.14 0.00 0.61 0.70 0.00 0.00 175.17 176.19 1zy1 n GLY 116 N -0.43 0.16 3.14 2.12 0.00 -1.26 -5.05 105.19 103.87 1zy1 n GLY 116 Ca 0.01 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.84 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 -2.03 1.12 0.13 1.61 0.08 -1.25 -0.98 117.98 116.66 1zy1 s PHE 117 Ca 0.00 -0.41 0.02 0.00 0.12 0.00 0.00 56.93 56.66 1zy1 s PHE 117 Cb 0.00 -0.65 -0.04 0.00 -0.57 0.00 0.00 43.02 41.76 1zy1 s PHE 117 CO 0.00 0.03 -0.05 1.03 -0.10 0.00 0.00 175.22 176.13 1zy1 s ARG 118 N -1.43 0.97 -0.28 0.44 1.81 0.02 -4.47 118.95 116.01 1zy1 s ARG 118 Ca -0.02 -1.43 -0.25 0.00 -1.72 0.00 0.00 55.73 52.32 1zy1 s ARG 118 Cb -0.09 -0.30 0.10 0.00 -0.45 0.00 0.00 34.95 34.21 1zy1 s ARG 118 CO 0.02 -0.04 0.92 0.00 -0.68 0.00 0.00 175.30 175.51 1zy1 s ALA 119 N -3.58 -1.90 -0.14 2.13 0.00 -0.73 -1.13 121.76 116.40 1zy1 s ALA 119 Ca 0.17 1.93 -0.29 0.00 0.00 0.00 0.00 51.96 53.77 1zy1 s ALA 119 Cb 0.05 -1.34 -0.04 0.00 0.00 0.00 0.00 23.12 21.79 1zy1 s ALA 119 CO -0.01 -0.27 1.62 0.00 0.00 0.00 0.00 175.76 177.10 1zy1 s ALA 120 N 0.27 3.43 0.02 0.00 0.00 -1.26 -1.50 121.76 122.72 1zy1 s ALA 120 Ca 0.02 0.68 0.06 0.00 0.00 0.00 0.00 51.96 52.72 1zy1 s ALA 120 Cb -0.05 -3.80 -0.02 0.00 0.00 0.00 0.00 23.12 19.25 1zy1 s ALA 120 CO -0.04 -1.68 -0.18 0.14 0.00 0.00 0.00 175.76 174.00 1zy1 s VAL 121 N 4.67 1.44 0.02 0.00 -7.23 -0.59 -1.15 120.40 117.57 1zy1 s VAL 121 Ca 0.72 -0.97 -0.23 0.00 -1.81 0.00 0.00 61.98 59.69 1zy1 s VAL 121 Cb -0.28 -1.24 -0.05 0.00 0.56 0.00 0.00 36.38 35.36 1zy1 s VAL 121 CO 0.28 0.24 0.69 -0.70 -0.31 0.00 0.00 175.10 175.30 1zy1 s GLU 122 N -0.86 4.41 0.08 4.82 2.12 -1.26 -3.24 118.70 124.77 1zy1 s GLU 122 Ca 0.06 0.91 0.03 0.00 0.36 0.00 0.00 54.97 56.33 1zy1 s GLU 122 Cb -0.08 -3.35 -0.03 0.00 0.26 0.00 0.00 34.13 30.93 1zy1 s GLU 122 CO 0.01 0.33 -0.08 1.03 -0.54 0.00 0.00 175.26 176.01 1zy1 s ARG 123 N -0.15 0.73 0.46 4.30 1.81 -0.20 -4.97 118.95 120.93 1zy1 s ARG 123 Ca 0.35 -1.07 -0.23 0.00 -1.72 0.00 0.00 55.73 53.06 1zy1 s ARG 123 Cb -0.19 -0.35 -0.07 0.00 -0.45 0.00 0.00 34.95 33.88 1zy1 s ARG 123 CO 0.20 0.04 1.20 0.71 -0.68 0.00 0.00 175.30 176.78 1zy1 s TYR 124 N -2.41 2.80 0.01 -0.53 1.51 -1.26 -0.65 117.35 116.83 1zy1 s TYR 124 Ca 0.02 1.51 -0.06 0.00 -1.01 0.00 0.00 57.07 57.52 1zy1 s TYR 124 Cb -0.03 -3.46 -0.30 0.00 -0.11 0.00 0.00 41.96 38.06 1zy1 s TYR 124 CO -0.01 -1.73 0.90 1.25 -1.11 0.00 0.00 175.55 174.85 1zy1 h LEU 125 N 2.06 0.50 -8.45 -1.29 7.12 -0.36 -3.42 115.31 111.47 1zy1 h LEU 125 Ca -0.50 -0.64 -0.68 0.00 0.13 0.00 0.00 57.88 56.20 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 0.60 1.52 -0.88 -1.61 -0.13 0.00 0.00 178.44 177.95 1zy1 s GLU 126 N -2.62 2.48 0.02 1.25 2.02 -1.26 -1.99 118.70 118.61 1zy1 s GLU 126 Ca -0.09 -0.87 -0.17 0.00 0.02 0.00 0.00 54.97 53.86 1zy1 s GLU 126 Cb 0.06 -2.10 0.03 0.00 0.10 0.00 0.00 34.13 32.23 1zy1 s GLU 126 CO 0.87 0.36 0.38 0.54 0.02 0.00 0.00 175.26 177.43 1zy1 s VAL 127 N -0.12 0.06 -0.08 2.63 0.11 -0.22 -0.47 120.40 122.31 1zy1 s VAL 127 Ca -0.04 -0.49 0.03 0.00 -2.93 0.00 0.00 61.98 58.55 1zy1 s VAL 127 Cb -0.14 -0.87 0.01 0.00 -1.53 0.00 0.00 36.38 33.85 1zy1 s VAL 127 CO 0.04 -0.27 -0.16 0.54 -3.33 0.00 0.00 175.10 171.91 1zy1 s VAL 128 N -2.15 1.47 -0.14 2.04 0.11 -0.09 -0.92 120.40 120.73 1zy1 s VAL 128 Ca -0.07 -0.67 0.01 0.00 -2.93 0.00 0.00 61.98 58.32 1zy1 s VAL 128 Cb -0.02 -1.30 0.02 0.00 -1.53 0.00 0.00 36.38 33.54 1zy1 s VAL 128 CO -0.00 0.43 -0.17 -0.69 -3.33 0.00 0.00 175.10 171.33 1zy1 s VAL 129 N 0.57 1.75 0.60 2.04 1.01 0.24 -1.72 120.40 124.89 1zy1 s VAL 129 Ca -0.16 -0.77 0.07 0.00 0.00 0.00 0.00 61.98 61.11 1zy1 s VAL 129 Cb -0.17 -1.59 0.09 0.00 0.00 0.00 0.00 36.38 34.72 1zy1 s VAL 129 CO 0.05 0.49 0.83 0.42 0.00 0.00 0.00 175.10 176.89 1zy1 s THR 130 N 1.11 2.23 -4.91 3.92 -4.23 -0.24 0.00 115.64 113.52 1zy1 s THR 130 Ca -0.02 -0.88 0.00 0.00 -1.18 0.00 0.00 61.69 59.60 1zy1 s THR 130 Cb -0.14 -2.34 0.00 0.00 1.34 0.00 0.00 72.50 71.36 1zy1 s THR 130 CO -0.06 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.63 1zy1 n GLY 131 N -2.37 0.74 3.26 3.99 0.00 -0.95 -1.37 105.19 108.49 1zy1 n GLY 131 Ca 0.15 -1.62 -0.26 0.00 0.00 0.00 0.00 46.02 44.28 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 -3.85 1.91 0.98 1.61 2.02 -0.88 -0.82 117.35 118.33 1zy1 s TYR 132 Ca 0.00 -0.38 -0.16 0.00 -0.37 0.00 0.00 57.07 56.16 1zy1 s TYR 132 Cb 0.00 -1.15 0.19 0.00 -0.40 0.00 0.00 41.96 40.61 1zy1 s TYR 132 CO 0.00 0.09 1.24 0.16 -1.57 0.00 0.00 175.55 175.46 1zy1 s ASP 133 N -1.13 2.90 0.45 2.29 -4.77 0.42 -1.52 116.67 115.31 1zy1 s ASP 133 Ca 0.08 0.50 0.23 0.00 -3.30 0.00 0.00 52.55 50.06 1zy1 s ASP 133 Cb -0.09 -0.71 1.22 0.00 -1.09 0.00 0.00 42.92 42.25 1zy1 s ASP 133 CO 0.02 -2.88 1.82 -0.09 0.70 0.00 0.00 175.17 174.73 1zy1 h ARG 134 N -1.74 0.28 -0.81 2.11 2.43 -1.89 -1.17 114.38 113.59 1zy1 h ARG 134 Ca -0.46 -0.02 -0.24 0.00 -0.81 0.00 0.00 59.98 58.46 1zy1 h ARG 134 Cb 1.27 -0.06 -0.14 0.00 -0.42 0.00 0.00 29.97 30.62 1zy1 h ARG 134 CO 0.44 0.18 0.30 1.04 -1.51 0.00 0.00 179.97 180.42 1zy1 n GLN 135 N -4.47 3.32 -0.63 0.20 3.00 -1.26 -4.66 117.38 112.88 1zy1 n GLN 135 Ca 0.22 -2.78 0.00 0.00 -0.01 0.00 0.00 57.00 54.43 1zy1 n GLN 135 Cb 0.88 -2.13 0.00 0.00 0.00 0.00 0.00 30.24 28.99 1zy1 n GLN 135 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1zy1 n GLY 136 N -0.22 1.27 3.74 1.08 0.00 -0.44 -4.79 105.19 105.83 1zy1 n GLY 136 Ca 0.40 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 46.01 1zy1 n GLY 136 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1zy1 s LYS 137 N -0.14 4.63 -0.10 1.61 1.02 -1.26 -4.68 119.74 120.81 1zy1 s LYS 137 Ca 0.00 1.30 -0.30 0.00 0.02 0.00 0.00 55.97 56.99 1zy1 s LYS 137 Cb 0.00 -3.35 -0.03 0.00 -0.52 0.00 0.00 37.83 33.93 1zy1 s LYS 137 CO 0.00 0.30 1.28 -0.98 -0.92 0.00 0.00 175.35 175.03 1zy1 s ARG 138 N -0.23 4.28 0.44 1.68 1.70 -1.26 -0.43 118.95 125.12 1zy1 s ARG 138 Ca 0.42 1.73 0.06 0.00 -0.47 0.00 0.00 55.73 57.48 1zy1 s ARG 138 Cb -0.23 -3.69 -0.05 0.00 -0.57 0.00 0.00 34.95 30.42 1zy1 s ARG 138 CO 0.27 -0.61 0.13 0.96 -1.08 0.00 0.00 175.30 174.97 1zy1 s ILE 139 N 2.97 2.00 -0.30 4.99 -4.36 -0.00 -4.91 121.20 121.59 1zy1 s ILE 139 Ca 0.57 -1.80 0.00 0.00 -0.26 0.00 0.00 60.65 59.16 1zy1 s ILE 139 Cb -0.24 -2.80 0.14 0.00 1.25 0.00 0.00 42.46 40.81 1zy1 s ILE 139 CO 0.19 0.00 0.32 -0.70 0.24 0.00 0.00 174.94 174.99 1zy1 s GLU 140 N -3.88 0.36 -0.09 0.37 2.12 -1.26 -2.24 118.70 114.08 1zy1 s GLU 140 Ca 0.34 -0.16 -0.20 0.00 0.36 0.00 0.00 54.97 55.31 1zy1 s GLU 140 Cb 0.05 -0.60 -0.04 0.00 0.26 0.00 0.00 34.13 33.79 1zy1 s GLU 140 CO 0.18 -1.05 0.56 0.08 -0.54 0.00 0.00 175.26 174.49 1zy1 s VAL 141 N 2.32 5.12 -0.08 3.70 1.01 0.10 -4.90 120.40 127.66 1zy1 s VAL 141 Ca 0.10 1.13 0.01 0.00 0.00 0.00 0.00 61.98 63.22 1zy1 s VAL 141 Cb -0.14 -3.90 -0.03 0.00 0.00 0.00 0.00 36.38 32.32 1zy1 s VAL 141 CO -0.30 0.32 -0.09 0.20 0.00 0.00 0.00 175.10 175.22 1zy1 s ASN 142 N 0.57 4.40 0.19 3.32 0.01 -1.26 0.82 114.94 122.99 1zy1 s ASN 142 Ca 0.30 -0.12 -0.21 0.00 -0.71 0.00 0.00 52.86 52.12 1zy1 s ASN 142 Cb -0.16 -1.20 0.05 0.00 0.41 0.00 0.00 41.25 40.35 1zy1 s ASN 142 CO 0.13 0.31 0.60 0.00 -1.51 0.00 0.00 177.10 176.63 1zy1 s ALA 143 N -0.52 -1.35 0.34 0.60 0.00 -0.09 -5.01 121.76 115.72 1zy1 s ALA 143 Ca 0.07 0.16 -0.01 0.00 0.00 0.00 0.00 51.96 52.18 1zy1 s ALA 143 Cb -0.12 0.86 -0.00 0.00 0.00 0.00 0.00 23.12 23.86 1zy1 s ALA 143 CO 0.02 -0.82 0.44 -1.54 0.00 0.00 0.00 175.76 173.85 1zy1 s SER 144 N -2.81 1.00 0.83 0.00 1.04 -1.26 -1.06 113.70 111.44 1zy1 s SER 144 Ca 0.05 -1.51 0.00 0.00 0.48 0.00 0.00 55.95 54.96 1zy1 s SER 144 Cb -0.02 0.64 0.00 0.00 0.10 0.00 0.00 66.02 66.74 1zy1 s SER 144 CO -0.07 -1.25 0.00 0.61 0.98 0.00 0.00 173.24 173.51 1zy1 n GLY 145 N -0.56 0.67 0.44 7.32 0.00 -0.84 -3.08 105.19 109.13 1zy1 n GLY 145 Ca 0.02 -0.79 0.24 0.00 0.00 0.00 0.00 46.02 45.49 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 0.31 -0.40 1.61 2.91 -1.43 -0.04 115.95 118.91 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 0.06 0.08 0.37 -1.03 0.00 0.00 178.44 177.92 1zy1 h GLN 147 N 0.21 0.66 -0.91 2.65 4.15 -1.82 -0.90 115.11 119.15 1zy1 h GLN 147 Ca 0.47 -0.17 -0.01 0.00 0.77 0.00 0.00 58.65 59.72 1zy1 h GLN 147 Cb 1.50 -0.08 -0.04 0.00 0.21 0.00 0.00 27.48 29.07 1zy1 h GLN 147 CO -0.12 0.69 0.55 0.00 -1.93 0.00 0.00 178.83 178.03 1zy1 h ALA 148 N 0.94 1.25 0.22 3.38 0.00 -0.95 -1.10 119.26 123.00 1zy1 h ALA 148 Ca 0.12 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1zy1 h ALA 148 Cb 0.34 -0.37 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 1zy1 h ALA 148 CO 0.00 0.64 -0.20 -0.09 0.00 0.00 0.00 179.25 179.61 1zy1 h ARG 149 N 1.26 -0.43 -0.35 0.00 2.43 -0.93 -1.41 114.38 114.94 1zy1 h ARG 149 Ca 0.33 0.03 0.05 0.00 -0.81 0.00 0.00 59.98 59.58 1zy1 h ARG 149 Cb -0.05 0.10 -0.04 0.00 -0.42 0.00 0.00 29.97 29.55 1zy1 h ARG 149 CO -0.06 -0.29 0.09 0.82 -1.51 0.00 0.00 179.97 179.02 1zy1 h ILE 150 N -0.45 0.85 -0.58 1.20 2.04 -0.66 -0.28 117.51 119.64 1zy1 h ILE 150 Ca -0.01 -0.08 0.09 0.00 1.00 0.00 0.00 64.86 65.86 1zy1 h ILE 150 Cb 0.41 0.61 -0.07 0.00 -0.74 0.00 0.00 36.82 37.03 1zy1 h ILE 150 CO -0.04 0.04 0.21 -0.07 0.00 0.00 0.00 178.15 178.30 1zy1 h LEU 151 N 0.22 0.22 -0.52 1.44 3.38 -0.98 -0.24 115.31 118.82 1zy1 h LEU 151 Ca 0.17 0.07 -0.00 0.00 0.09 0.00 0.00 57.88 58.21 1zy1 h LEU 151 Cb 0.17 0.05 -0.03 0.00 0.09 0.00 0.00 40.66 40.95 1zy1 h LEU 151 CO -0.20 0.14 0.32 1.56 0.09 0.00 0.00 178.44 180.35 1zy1 h GLN 152 N 0.40 0.71 0.38 1.13 4.20 -0.37 0.25 115.11 121.80 1zy1 h GLN 152 Ca 0.29 -0.06 -0.01 0.00 0.06 0.00 0.00 58.65 58.92 1zy1 h GLN 152 Cb 0.34 -0.15 -0.02 0.00 0.30 0.00 0.00 27.48 27.95 1zy1 h GLN 152 CO -0.29 0.51 -0.39 1.25 -0.67 0.00 0.00 178.83 179.25 1zy1 h HIS 153 N 0.70 -1.08 -0.84 2.96 2.76 0.01 0.91 115.15 120.57 1zy1 h HIS 153 Ca 0.19 0.01 0.09 0.00 -2.20 0.00 0.00 60.37 58.46 1zy1 h HIS 153 Cb -0.02 0.42 -0.07 0.00 1.55 0.00 0.00 27.41 29.29 1zy1 h HIS 153 CO -0.03 -0.51 0.49 0.93 -1.30 0.00 0.00 177.93 177.51 1zy1 h GLU 154 N -0.77 0.81 -0.72 5.26 4.39 -0.99 -1.26 114.58 121.30 1zy1 h GLU 154 Ca -0.05 -0.05 -0.06 0.00 0.34 0.00 0.00 59.36 59.55 1zy1 h GLU 154 Cb 0.67 -0.18 -0.03 0.00 -0.10 0.00 0.00 28.75 29.10 1zy1 h GLU 154 CO -0.05 0.54 0.22 0.00 -1.16 0.00 0.00 179.01 178.56 1zy1 h ASP 156 N 1.06 0.14 -0.75 0.00 3.32 0.36 -0.88 116.42 119.68 1zy1 h ASP 156 Ca 0.23 0.06 0.16 0.00 0.02 0.00 0.00 57.03 57.50 1zy1 h ASP 156 Cb 0.30 0.06 -0.11 0.00 0.22 0.00 0.00 39.33 39.80 1zy1 h ASP 156 CO -0.01 0.11 0.22 0.45 -1.72 0.00 0.00 179.24 178.30 1zy1 h HIS 157 N 0.33 0.36 0.00 4.55 3.86 -0.98 0.46 115.15 123.74 1zy1 h HIS 157 Ca 0.24 0.04 0.00 0.00 -1.16 0.00 0.00 60.37 59.49 1zy1 h HIS 157 Cb 0.26 -0.05 0.00 0.00 1.06 0.00 0.00 27.41 28.69 1zy1 h HIS 157 CO -0.17 -0.04 0.00 1.28 0.86 0.00 0.00 177.93 179.86 1zy1 n LEU 158 N -5.10 0.00 -0.32 2.43 4.77 -0.35 -1.20 117.00 117.23 1zy1 n LEU 158 Ca 0.14 0.47 0.03 0.00 -0.03 0.00 0.00 56.01 56.63 1zy1 n LEU 158 Cb 0.45 -0.47 0.06 0.00 -2.33 0.00 0.00 43.42 41.13 1zy1 n LEU 158 CO 0.14 -0.44 0.49 0.47 -1.33 0.00 0.00 177.39 176.73 1zy1 n ASP 159 N -1.47 2.16 0.00 -1.43 8.00 0.16 -0.76 116.55 123.21 1zy1 n ASP 159 Ca 0.01 -1.73 0.00 0.00 0.71 0.00 0.00 54.79 53.78 1zy1 n ASP 159 Cb 0.03 -0.08 0.00 0.00 -0.02 0.00 0.00 41.12 41.04 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 0.18 0.55 3.16 0.44 0.00 -0.34 -3.83 105.19 105.35 1zy1 n GLY 160 Ca 0.05 -0.81 -0.30 0.00 0.00 0.00 0.00 46.02 44.96 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 -2.88 2.77 0.15 1.61 0.01 -0.94 -4.41 114.94 111.25 1zy1 s ASN 161 Ca 0.00 -0.50 0.07 0.00 -0.71 0.00 0.00 52.86 51.72 1zy1 s ASN 161 Cb 0.00 -1.27 -0.04 0.00 0.41 0.00 0.00 41.25 40.35 1zy1 s ASN 161 CO 0.00 0.12 -0.05 -0.76 -1.51 0.00 0.00 177.10 174.90 1zy1 s LEU 162 N 0.49 3.17 0.50 0.60 1.43 -1.26 -3.20 118.68 120.40 1zy1 s LEU 162 Ca -0.16 -0.41 0.25 0.00 -1.03 0.00 0.00 54.13 52.77 1zy1 s LEU 162 Cb -0.17 -1.88 1.32 0.00 0.03 0.00 0.00 46.19 45.48 1zy1 s LEU 162 CO 0.06 0.13 1.92 0.10 0.23 0.00 0.00 176.35 178.79 1zy1 h TYR 163 N 3.08 0.17 -0.90 0.29 -0.00 -1.97 -2.29 116.97 115.36 1zy1 h TYR 163 Ca -0.48 0.01 0.26 0.00 0.00 0.00 0.00 58.73 58.52 1zy1 h TYR 163 Cb 1.19 -0.05 -0.04 0.00 0.00 0.00 0.00 36.73 37.83 1zy1 h TYR 163 CO 0.62 0.05 0.65 -0.39 -0.00 0.00 0.00 178.16 179.09 1zy1 h VAL 164 N 0.14 0.55 -0.48 -0.90 -1.51 -1.98 0.85 116.25 112.91 1zy1 h VAL 164 Ca 0.37 -0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.84 1zy1 h VAL 164 Cb 1.26 0.54 0.00 0.00 -2.13 0.00 0.00 31.29 30.96 1zy1 h VAL 164 CO -0.05 0.00 0.00 0.47 -1.23 0.00 0.00 177.57 176.76 1zy1 n ASP 165 N -4.27 2.81 0.00 4.19 8.00 -0.86 -3.71 116.55 122.71 1zy1 n ASP 165 Ca 0.19 -2.07 0.00 0.00 0.71 0.00 0.00 54.79 53.62 1zy1 n ASP 165 Cb 0.97 -0.36 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 0.89 0.84 -2.29 -1.24 5.02 0.28 -5.07 118.16 116.59 1zy1 n LYS 166 Ca 0.17 -0.74 -0.31 0.00 -2.02 0.00 0.00 58.31 55.40 1zy1 n LYS 166 Cb 0.47 -0.70 -0.01 0.00 -0.02 0.00 0.00 35.03 34.76 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 -0.31 3.75 -0.08 1.97 0.23 -0.39 -4.44 119.30 120.02 1zy1 s MET 167 Ca 0.00 0.73 -0.30 0.00 -1.03 0.00 0.00 55.69 55.10 1zy1 s MET 167 Cb 0.00 -2.18 -0.02 0.00 -1.53 0.00 0.00 34.83 31.10 1zy1 s MET 167 CO 0.00 -0.34 1.15 0.08 -2.03 0.00 0.00 175.02 173.88 1zy1 s VAL 168 N -2.80 4.39 0.22 5.16 1.01 -0.30 -4.96 120.40 123.12 1zy1 s VAL 168 Ca 0.55 1.70 -0.30 0.00 0.00 0.00 0.00 61.98 63.93 1zy1 s VAL 168 Cb -0.10 -4.09 -0.16 0.00 0.00 0.00 0.00 36.38 32.03 1zy1 s VAL 168 CO 0.41 -0.02 0.93 -2.65 0.00 0.00 0.00 175.10 173.78 1zy1 n PRO 169 N 5.30 0.89 -0.98 2.72 -0.02 -1.26 -1.88 135.00 139.77 1zy1 n PRO 169 Ca 0.11 0.32 0.00 0.00 -2.02 0.00 0.00 63.50 61.90 1zy1 n PRO 169 Cb 0.47 -1.63 0.00 0.00 -0.02 0.00 0.00 33.50 32.31 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 1.12 -0.75 -0.01 -0.52 1.74 -1.26 -4.83 116.66 112.16 1zy1 n ARG 170 Ca 0.14 0.19 0.11 0.00 -0.77 0.00 0.00 57.85 57.51 1zy1 n ARG 170 Cb 0.27 -3.77 -0.15 0.00 -1.02 0.00 0.00 32.46 27.79 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 -2.54 0.00 -1.60 0.55 -2.24 -0.79 -4.75 114.28 102.91 1zy1 n THR 171 Ca 0.00 -0.29 -0.42 0.00 -2.27 0.00 0.00 64.05 61.06 1zy1 n THR 171 Cb 0.19 0.41 0.00 0.00 -2.10 0.00 0.00 70.33 68.83 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 -1.95 1.18 -3.59 4.78 -0.00 -1.26 -4.28 117.46 112.34 1zy1 n PHE 172 Ca -0.01 0.59 -0.05 0.00 -0.00 0.00 0.00 57.45 57.99 1zy1 n PHE 172 Cb 0.47 -2.23 -0.02 0.00 -0.00 0.00 0.00 39.48 37.70 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 -1.89 0.55 0.50 -4.13 1.70 -0.29 -4.98 118.95 110.41 1zy1 s ARG 173 Ca 0.62 -0.23 -0.21 0.00 -0.47 0.00 0.00 55.73 55.44 1zy1 s ARG 173 Cb -0.59 0.23 -0.07 0.00 -0.57 0.00 0.00 34.95 33.95 1zy1 s ARG 173 CO 0.58 -0.24 1.12 0.99 -1.08 0.00 0.00 175.30 176.66 1zy1 s THR 174 N -2.70 3.31 0.47 4.99 2.01 -1.26 -0.80 115.64 121.66 1zy1 s THR 174 Ca 0.09 0.87 0.16 0.00 0.31 0.00 0.00 61.69 63.12 1zy1 s THR 174 Cb -0.00 -3.38 0.32 0.00 0.01 0.00 0.00 72.50 69.44 1zy1 s THR 174 CO -0.05 -0.12 2.04 -0.37 -0.69 0.00 0.00 174.62 175.43 1zy1 h VAL 175 N 1.52 0.92 0.28 3.82 -1.51 -1.39 -1.70 116.25 118.20 1zy1 h VAL 175 Ca -0.50 -0.08 -0.01 0.00 -1.23 0.00 0.00 66.70 64.88 1zy1 h VAL 175 Cb 1.25 0.66 0.00 0.00 -2.13 0.00 0.00 31.29 31.07 1zy1 h VAL 175 CO 0.59 0.04 -0.14 0.44 -1.23 0.00 0.00 177.57 177.27 1zy1 h ASP 176 N 0.24 -0.32 0.00 4.19 3.32 -1.90 -2.59 116.42 119.35 1zy1 h ASP 176 Ca 0.18 -0.13 0.00 0.00 0.02 0.00 0.00 57.03 57.10 1zy1 h ASP 176 Cb 0.42 0.08 0.00 0.00 0.22 0.00 0.00 39.33 40.05 1zy1 h ASP 176 CO -0.03 -0.05 0.00 0.59 -1.72 0.00 0.00 179.24 178.03 1zy1 n ASN 177 N -5.16 0.51 -0.19 6.45 3.02 -0.72 -4.17 115.26 115.00 1zy1 n ASN 177 Ca -0.10 -1.65 -0.01 0.00 -0.03 0.00 0.00 54.58 52.79 1zy1 n ASN 177 Cb 0.23 -0.25 0.09 0.00 -0.61 0.00 0.00 39.78 39.24 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 0.11 0.20 -0.16 3.41 5.85 -0.92 -2.31 115.31 121.49 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 0.25 0.05 0.00 0.00 0.37 0.00 0.00 40.66 41.34 1zy1 h LEU 178 CO 0.00 0.13 -0.06 0.47 -0.34 0.00 0.00 178.44 178.64 1zy1 n ASP 179 N -5.00 0.31 -4.75 1.25 8.00 -1.26 -4.88 116.55 110.23 1zy1 n ASP 179 Ca 0.07 -0.54 -0.36 0.00 0.71 0.00 0.00 54.79 54.67 1zy1 n ASP 179 Cb 0.24 -0.12 0.05 0.00 -0.02 0.00 0.00 41.12 41.27 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 -2.42 3.62 0.98 0.64 1.43 -0.87 -4.95 118.68 117.12 1zy1 s LEU 180 Ca 0.32 2.47 -0.13 0.00 -1.03 0.00 0.00 54.13 55.75 1zy1 s LEU 180 Cb 0.20 -4.61 0.09 0.00 0.03 0.00 0.00 46.19 41.91 1zy1 s LEU 180 CO 0.45 -1.75 0.56 -2.65 0.23 0.00 0.00 176.35 173.20 1zy1 n PRO 181 N -1.73 -0.64 -3.37 1.29 -0.02 -1.26 -5.00 135.00 124.27 1zy1 n PRO 181 Ca 0.14 -0.14 -0.36 0.00 -2.02 0.00 0.00 63.50 61.12 1zy1 n PRO 181 Cb 0.49 -1.98 -0.06 0.00 -0.02 0.00 0.00 33.50 31.94 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 -2.77 4.39 0.62 2.45 1.43 -1.26 -5.06 118.68 118.47 1zy1 s LEU 182 Ca 0.60 1.08 -0.13 0.00 -1.03 0.00 0.00 54.13 54.64 1zy1 s LEU 182 Cb -0.21 -3.10 -0.03 0.00 0.03 0.00 0.00 46.19 42.88 1zy1 s LEU 182 CO 0.65 0.16 1.04 0.00 0.23 0.00 0.00 176.35 178.44 1zy1 s ALA 183 N -1.35 2.82 0.23 4.21 0.00 -1.26 -4.95 121.76 121.46 1zy1 s ALA 183 Ca 0.34 0.18 -0.30 0.00 0.00 0.00 0.00 51.96 52.19 1zy1 s ALA 183 Cb -0.16 -3.17 -0.15 0.00 0.00 0.00 0.00 23.12 19.64 1zy1 s ALA 183 CO 0.18 -0.85 1.03 0.39 0.00 0.00 0.00 175.76 176.52 1zy1 n GLU 184 N -2.45 1.15 0.00 0.00 4.71 -1.26 -2.73 120.64 120.07 1zy1 n GLU 184 Ca 0.08 0.41 0.00 0.00 -0.01 0.00 0.00 57.16 57.63 1zy1 n GLU 184 Cb 0.53 -1.80 0.00 0.00 -1.01 0.00 0.00 31.44 29.17 1zy1 n GLU 184 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1zy1 n GLY 185 N 1.63 3.15 3.63 0.62 0.00 -1.26 -5.05 105.19 107.90 1zy1 n GLY 185 Ca 0.13 -0.88 -0.47 0.00 0.00 0.00 0.00 46.02 44.79 1zy1 n GLY 185 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1zy1 n PRO 187 N 2.26 -1.58 -2.99 0.00 -0.04 -1.26 -4.97 135.00 126.42 1zy1 n PRO 187 Ca 0.14 -0.42 -0.33 0.00 -0.04 0.00 0.00 63.50 62.85 1zy1 n PRO 187 Cb 0.27 -2.09 -0.07 0.00 -0.04 0.00 0.00 33.50 31.58 1zy1 n PRO 187 CO 0.00 0.00 0.00 -1.59 -0.04 0.00 0.00 175.50 173.87 1zy1 s LYS 188 N -4.18 4.12 0.77 0.54 0.00 -1.26 -5.06 119.74 114.66 1zy1 s LYS 188 Ca 0.64 0.89 -0.12 0.00 0.00 0.00 0.00 55.97 57.38 1zy1 s LYS 188 Cb -0.22 -2.34 0.05 0.00 0.00 0.00 0.00 37.83 35.33 1zy1 s LYS 188 CO 0.64 0.08 1.15 -0.51 0.00 0.00 0.00 175.35 176.71 1zy1 s LEU 189 N -3.03 2.67 0.00 2.77 1.43 -1.26 -4.85 118.68 116.40 1zy1 s LEU 189 Ca 0.57 0.93 0.00 0.00 -1.03 0.00 0.00 54.13 54.60 1zy1 s LEU 189 Cb -0.10 -3.55 0.00 0.00 0.03 0.00 0.00 46.19 42.57 1zy1 s LEU 189 CO 0.16 -1.67 0.00 0.61 0.23 0.00 0.00 176.35 175.67 1zy1 n GLY 190 N -3.18 0.34 3.63 -3.19 0.00 -0.75 -4.93 105.19 97.11 1zy1 n GLY 190 Ca 0.08 -1.84 -0.10 0.00 0.00 0.00 0.00 46.02 44.15 1zy1 n GLY 190 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1zy1 s SER 191 N -4.00 0.22 0.00 1.61 1.04 -1.26 -0.78 113.70 110.53 1zy1 s SER 191 Ca 0.00 -1.11 0.31 0.00 0.48 0.00 0.00 55.95 55.62 1zy1 s SER 191 Cb 0.00 0.68 1.68 0.00 0.10 0.00 0.00 66.02 68.48 1zy1 s SER 191 CO 0.00 -1.33 2.10 1.41 0.98 0.00 0.00 173.24 176.41