#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1a3z s TRP 7 N 0.00 3.49 0.40 4.78 0.52 -1.26 -4.43 118.94 122.44 1a3z s TRP 7 Ca 0.00 0.65 0.06 0.00 0.02 0.00 0.00 56.10 56.82 1a3z s TRP 7 Cb 0.00 -2.33 -0.07 0.00 -1.15 0.00 0.00 33.47 29.92 1a3z s TRP 7 CO 0.00 0.29 0.03 0.15 0.02 0.00 0.00 176.95 177.44 1a3z s LYS 8 N 0.27 1.90 0.05 4.98 1.02 0.33 -4.95 119.74 123.35 1a3z s LYS 8 Ca 0.18 -2.09 0.07 0.00 0.02 0.00 0.00 55.97 54.14 1a3z s LYS 8 Cb -0.13 -1.40 -0.03 0.00 -0.52 0.00 0.00 37.83 35.75 1a3z s LYS 8 CO 0.05 -0.13 -0.18 -1.21 -0.92 0.00 0.00 175.35 172.96 1a3z s GLU 9 N -3.77 1.19 0.02 1.68 0.41 -1.26 -0.85 118.70 116.11 1a3z s GLU 9 Ca 0.32 -0.92 -0.06 0.00 -0.41 0.00 0.00 54.97 53.90 1a3z s GLU 9 Cb 0.09 -1.29 -0.00 0.00 -1.78 0.00 0.00 34.13 31.14 1a3z s GLU 9 CO 0.16 0.32 0.11 0.00 -0.49 0.00 0.00 175.26 175.36 1a3z s ALA 10 N -0.89 -0.20 0.57 5.21 0.00 -0.39 -4.93 121.76 121.14 1a3z s ALA 10 Ca 0.05 -0.32 -0.06 0.00 0.00 0.00 0.00 51.96 51.63 1a3z s ALA 10 Cb -0.09 0.16 -0.00 0.00 0.00 0.00 0.00 23.12 23.19 1a3z s ALA 10 CO 0.02 -0.24 0.89 0.95 0.00 0.00 0.00 175.76 177.38 1a3z s THR 11 N -1.79 3.90 0.25 0.00 -4.23 -1.26 -0.10 115.64 112.41 1a3z s THR 11 Ca -0.12 0.07 -0.03 0.00 -1.18 0.00 0.00 61.69 60.43 1a3z s THR 11 Cb -0.06 -3.54 0.22 0.00 1.34 0.00 0.00 72.50 70.46 1a3z s THR 11 CO -0.01 -0.56 1.74 0.25 -0.54 0.00 0.00 174.62 175.51 1a3z h LEU 12 N -0.12 0.35 -1.72 4.79 5.85 -1.99 0.90 115.31 123.38 1a3z h LEU 12 Ca -0.46 0.10 -0.02 0.00 0.84 0.00 0.00 57.88 58.35 1a3z h LEU 12 Cb 1.24 0.06 -0.01 0.00 0.37 0.00 0.00 40.66 42.33 1a3z h LEU 12 CO 0.61 0.14 -0.05 1.55 -0.34 0.00 0.00 178.44 180.35 1a3z h PRO 13 N 0.50 0.12 -0.07 5.25 0.13 -1.97 -0.59 132.00 135.36 1a3z h PRO 13 Ca 0.43 -0.02 -0.04 0.00 -0.87 0.00 0.00 66.00 65.50 1a3z h PRO 13 Cb 0.63 -0.02 0.00 0.00 0.13 0.00 0.00 31.00 31.74 1a3z h PRO 13 CO -0.39 0.18 -0.13 1.96 -0.23 0.00 0.00 178.00 179.39 1a3z h GLN 14 N 0.12 0.20 -0.15 0.86 4.20 -1.25 -2.49 115.11 116.59 1a3z h GLN 14 Ca 0.03 -0.13 0.04 0.00 0.06 0.00 0.00 58.65 58.65 1a3z h GLN 14 Cb 0.16 0.02 -0.05 0.00 0.30 0.00 0.00 27.48 27.91 1a3z h GLN 14 CO 0.01 0.72 -0.16 0.28 -0.67 0.00 0.00 178.83 179.00 1a3z h VAL 15 N -0.29 0.57 -0.93 -0.54 2.07 -0.67 -0.84 116.25 115.62 1a3z h VAL 15 Ca 0.00 0.00 0.16 0.00 0.82 0.00 0.00 66.70 67.68 1a3z h VAL 15 Cb 0.71 0.57 -0.08 0.00 -1.52 0.00 0.00 31.29 30.97 1a3z h VAL 15 CO 0.03 0.00 0.59 0.11 0.02 0.00 0.00 177.57 178.32 1a3z h LYS 16 N -0.19 0.70 0.00 1.57 6.56 -1.14 -0.75 116.57 123.32 1a3z h LYS 16 Ca 0.10 -0.04 -0.14 0.00 -1.06 0.00 0.00 60.65 59.51 1a3z h LYS 16 Cb 0.34 -0.16 -0.02 0.00 -0.57 0.00 0.00 32.23 31.82 1a3z h LYS 16 CO -0.26 0.46 -0.65 0.00 -2.06 0.00 0.00 179.45 176.94 1a3z h ALA 17 N 1.60 0.81 0.05 3.86 0.00 -0.79 -3.20 119.26 121.58 1a3z h ALA 17 Ca 0.48 -0.59 -0.26 0.00 0.00 0.00 0.00 54.91 54.55 1a3z h ALA 17 Cb 0.77 -0.10 0.01 0.00 0.00 0.00 0.00 17.79 18.47 1a3z h ALA 17 CO -0.24 0.81 -1.07 0.52 0.00 0.00 0.00 179.25 179.27 1a3z h MET 18 N 0.00 0.48 -0.16 0.00 2.86 0.15 -3.22 114.93 115.04 1a3z h MET 18 Ca -0.01 -0.58 0.05 0.00 -2.06 0.00 0.00 59.70 57.10 1a3z h MET 18 Cb 1.24 0.18 -0.01 0.00 0.06 0.00 0.00 31.60 33.07 1a3z h MET 18 CO 0.08 1.22 0.16 -0.07 1.06 0.00 0.00 176.91 179.36 1a3z h LEU 19 N 0.24 0.00 -0.17 1.22 3.38 -1.23 0.30 115.31 119.05 1a3z h LEU 19 Ca -0.12 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.85 1a3z h LEU 19 Cb 1.73 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.48 1a3z h LEU 19 CO 0.19 0.00 -0.11 -0.62 0.09 0.00 0.00 178.44 177.99 1a3z n GLU 20 N -3.98 0.55 0.00 1.13 1.02 -1.21 -3.62 120.64 114.52 1a3z n GLU 20 Ca 0.01 -0.17 0.15 0.00 -0.02 0.00 0.00 57.16 57.14 1a3z n GLU 20 Cb 0.28 -1.50 0.80 0.00 -0.02 0.00 0.00 31.44 31.01 1a3z n GLU 20 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1a3z n LYS 21 N -1.08 1.03 -2.33 3.49 4.76 0.11 -4.79 118.16 119.34 1a3z n LYS 21 Ca 0.13 -0.22 -0.43 0.00 -2.87 0.00 0.00 58.31 54.93 1a3z n LYS 21 Cb 0.28 -1.50 -0.02 0.00 -1.84 0.00 0.00 35.03 31.95 1a3z n LYS 21 CO 0.00 0.00 0.00 0.34 -1.37 0.00 0.00 177.40 176.37 1a3z s ASP 22 N -2.12 6.89 -0.34 4.39 -1.08 -1.24 -4.82 116.67 118.35 1a3z s ASP 22 Ca 0.42 1.83 0.08 0.00 -0.52 0.00 0.00 52.55 54.36 1a3z s ASP 22 Cb 0.21 -2.54 0.71 0.00 -1.46 0.00 0.00 42.92 39.85 1a3z s ASP 22 CO 0.39 -0.78 1.80 -0.90 0.52 0.00 0.00 175.17 176.20 1a3z n ASP 23 N 6.57 4.57 -4.95 -0.34 5.75 -1.10 -4.96 116.55 122.09 1a3z n ASP 23 Ca 0.14 -3.25 -0.23 0.00 -0.01 0.00 0.00 54.79 51.44 1a3z n ASP 23 Cb 0.44 -0.76 0.05 0.00 -1.03 0.00 0.00 41.12 39.82 1a3z n ASP 23 CO 0.00 0.00 0.00 -0.83 -0.11 0.00 0.00 177.20 176.26 1a3z s GLY 24 N -1.00 1.77 -0.07 6.12 0.00 -1.26 -4.74 107.32 108.15 1a3z s GLY 24 Ca 0.54 -1.17 0.03 0.00 0.00 0.00 0.00 44.72 44.11 1a3z s GLY 24 CO 0.13 -0.84 -0.13 0.54 0.00 0.00 0.00 173.10 172.79 1a3z s LYS 25 N -4.96 2.69 0.07 2.90 3.01 -0.26 -4.88 119.74 118.31 1a3z s LYS 25 Ca 0.59 -0.68 -0.06 0.00 -1.01 0.00 0.00 55.97 54.81 1a3z s LYS 25 Cb -0.10 -2.44 -0.05 0.00 -1.01 0.00 0.00 37.83 34.22 1a3z s LYS 25 CO 0.41 0.55 0.32 0.14 0.51 0.00 0.00 175.35 177.28 1a3z s VAL 26 N -0.53 5.23 -0.26 3.17 -7.23 -1.26 -0.56 120.40 118.96 1a3z s VAL 26 Ca 0.07 0.12 -0.02 0.00 -1.81 0.00 0.00 61.98 60.34 1a3z s VAL 26 Cb -0.12 -3.60 0.15 0.00 0.56 0.00 0.00 36.38 33.37 1a3z s VAL 26 CO 0.02 0.23 0.45 -0.55 -0.31 0.00 0.00 175.10 174.94 1a3z s SER 27 N -2.02 -0.29 0.88 4.85 0.15 0.35 -4.99 113.70 112.64 1a3z s SER 27 Ca 0.33 0.46 0.00 0.00 0.70 0.00 0.00 55.95 57.44 1a3z s SER 27 Cb -0.13 1.46 0.00 0.00 -1.71 0.00 0.00 66.02 65.64 1a3z s SER 27 CO 0.20 -0.29 0.00 0.61 1.20 0.00 0.00 173.24 174.97 1a3z n GLY 28 N 5.39 1.80 2.30 9.45 0.00 -1.26 -1.43 105.19 121.43 1a3z n GLY 28 Ca -0.03 -0.54 -0.27 0.00 0.00 0.00 0.00 46.02 45.18 1a3z n GLY 28 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1a3z n ASP 29 N -0.55 6.92 -3.87 1.61 2.03 -1.26 -4.87 116.55 116.55 1a3z n ASP 29 Ca 0.00 -3.38 -0.17 0.00 0.52 0.00 0.00 54.79 51.75 1a3z n ASP 29 Cb 0.00 -1.09 -0.16 0.00 -0.72 0.00 0.00 41.12 39.16 1a3z n ASP 29 CO 0.00 0.00 0.00 -0.89 -1.92 0.00 0.00 177.20 174.39 1a3z s THR 30 N -3.28 0.32 -0.19 5.18 2.01 -0.51 -1.62 115.64 117.55 1a3z s THR 30 Ca 0.50 -0.04 -0.03 0.00 0.31 0.00 0.00 61.69 62.43 1a3z s THR 30 Cb 0.37 -0.35 -0.01 0.00 0.01 0.00 0.00 72.50 72.52 1a3z s THR 30 CO -0.12 0.15 -0.08 -0.69 -0.69 0.00 0.00 174.62 173.20 1a3z s VAL 31 N 0.68 3.23 -0.19 3.82 1.01 0.11 -0.49 120.40 128.56 1a3z s VAL 31 Ca -0.08 -0.56 -0.06 0.00 0.00 0.00 0.00 61.98 61.29 1a3z s VAL 31 Cb -0.11 -2.43 -0.03 0.00 0.00 0.00 0.00 36.38 33.81 1a3z s VAL 31 CO -0.01 0.46 0.02 -0.89 0.00 0.00 0.00 175.10 174.69 1a3z s THR 32 N 1.12 4.25 0.09 3.92 2.01 0.28 -0.45 115.64 126.87 1a3z s THR 32 Ca 0.01 -0.22 0.04 0.00 0.31 0.00 0.00 61.69 61.83 1a3z s THR 32 Cb -0.14 -2.92 -0.04 0.00 0.01 0.00 0.00 72.50 69.41 1a3z s THR 32 CO -0.02 0.44 0.07 -0.31 -0.69 0.00 0.00 174.62 174.11 1a3z s TYR 33 N 0.78 3.13 -0.14 4.92 2.02 -0.25 -1.10 117.35 126.70 1a3z s TYR 33 Ca 0.01 0.04 -0.14 0.00 -0.37 0.00 0.00 57.07 56.61 1a3z s TYR 33 Cb -0.14 -1.58 0.04 0.00 -0.40 0.00 0.00 41.96 39.87 1a3z s TYR 33 CO 0.02 0.51 0.39 -1.54 -1.57 0.00 0.00 175.55 173.36 1a3z s SER 34 N -2.47 -0.40 0.00 2.29 1.04 -1.26 -4.20 113.70 108.70 1a3z s SER 34 Ca 0.29 0.75 0.00 0.00 0.48 0.00 0.00 55.95 57.46 1a3z s SER 34 Cb -0.12 0.77 0.00 0.00 0.10 0.00 0.00 66.02 66.77 1a3z s SER 34 CO 0.21 -0.16 0.00 0.61 0.98 0.00 0.00 173.24 174.88 1a3z n GLY 35 N 2.75 1.58 0.20 7.32 0.00 -1.26 -4.88 105.19 110.91 1a3z n GLY 35 Ca -0.14 -2.14 -0.11 0.00 0.00 0.00 0.00 46.02 43.63 1a3z n GLY 35 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1a3z h LYS 36 N 0.00 0.65 -4.76 1.61 5.09 -1.96 -3.43 116.57 113.76 1a3z h LYS 36 Ca 0.00 -0.24 -0.55 0.00 0.09 0.00 0.00 60.65 59.95 1a3z h LYS 36 Cb 0.00 -0.04 -0.33 0.00 0.10 0.00 0.00 32.23 31.96 1a3z h LYS 36 CO 0.00 0.81 -0.83 0.99 -2.09 0.00 0.00 179.45 178.32 1a3z s THR 37 N -4.82 1.36 0.10 0.07 2.01 -1.26 -0.25 115.64 112.86 1a3z s THR 37 Ca -0.13 -0.62 0.10 0.00 0.31 0.00 0.00 61.69 61.35 1a3z s THR 37 Cb 0.09 -1.22 -0.04 0.00 0.01 0.00 0.00 72.50 71.34 1a3z s THR 37 CO 0.79 0.40 -0.24 0.68 -0.69 0.00 0.00 174.62 175.57 1a3z s VAL 38 N 0.56 2.43 -0.25 3.82 -7.23 -0.27 -4.95 120.40 114.52 1a3z s VAL 38 Ca -0.15 -1.58 -0.01 0.00 -1.81 0.00 0.00 61.98 58.43 1a3z s VAL 38 Cb -0.16 -2.06 0.03 0.00 0.56 0.00 0.00 36.38 34.75 1a3z s VAL 38 CO 0.05 0.16 -0.06 -1.00 -0.31 0.00 0.00 175.10 173.94 1a3z s HIS 39 N -1.02 3.08 -0.20 2.82 3.76 -1.26 0.27 115.29 122.74 1a3z s HIS 39 Ca 0.15 -1.62 -0.09 0.00 -0.15 0.00 0.00 55.06 53.35 1a3z s HIS 39 Cb -0.10 -2.05 -0.05 0.00 1.11 0.00 0.00 32.58 31.49 1a3z s HIS 39 CO 0.06 -0.74 0.12 0.08 -0.85 0.00 0.00 174.74 173.41 1a3z s VAL 40 N 1.31 5.24 -0.24 -0.90 1.01 0.25 -2.69 120.40 124.37 1a3z s VAL 40 Ca -0.01 0.13 0.01 0.00 0.00 0.00 0.00 61.98 62.11 1a3z s VAL 40 Cb -0.17 -3.40 0.06 0.00 0.00 0.00 0.00 36.38 32.88 1a3z s VAL 40 CO -0.04 0.43 -0.04 -0.69 0.00 0.00 0.00 175.10 174.75 1a3z s VAL 41 N 0.51 1.55 0.10 2.92 1.01 -1.26 -0.44 120.40 124.80 1a3z s VAL 41 Ca 0.07 -1.29 0.07 0.00 0.00 0.00 0.00 61.98 60.83 1a3z s VAL 41 Cb -0.12 -1.84 -0.04 0.00 0.00 0.00 0.00 36.38 34.38 1a3z s VAL 41 CO -0.00 -0.15 -0.11 0.00 0.00 0.00 0.00 175.10 174.84 1a3z s ALA 42 N 1.37 2.91 0.02 5.51 0.00 -0.12 -4.13 121.76 127.33 1a3z s ALA 42 Ca -0.05 -1.26 0.04 0.00 0.00 0.00 0.00 51.96 50.70 1a3z s ALA 42 Cb -0.19 -0.86 -0.02 0.00 0.00 0.00 0.00 23.12 22.06 1a3z s ALA 42 CO -0.07 0.63 -0.14 0.00 0.00 0.00 0.00 175.76 176.19 1a3z s ALA 43 N -1.20 1.14 -0.53 0.00 0.00 -0.14 -0.78 121.76 120.25 1a3z s ALA 43 Ca 0.21 -0.70 -0.22 0.00 0.00 0.00 0.00 51.96 51.24 1a3z s ALA 43 Cb -0.11 -0.23 0.05 0.00 0.00 0.00 0.00 23.12 22.83 1a3z s ALA 43 CO 0.13 0.24 0.83 0.00 0.00 0.00 0.00 175.76 176.96 1a3z s ALA 44 N -0.59 3.24 -0.47 0.00 0.00 -0.28 -0.56 121.76 123.10 1a3z s ALA 44 Ca 0.03 -1.39 -0.21 0.00 0.00 0.00 0.00 51.96 50.40 1a3z s ALA 44 Cb -0.07 -3.60 0.03 0.00 0.00 0.00 0.00 23.12 19.49 1a3z s ALA 44 CO 0.00 -2.24 0.62 0.28 0.00 0.00 0.00 175.76 174.43 1a3z n VAL 45 N 6.00 -9.02 -1.13 0.00 0.31 0.07 -2.59 118.33 111.98 1a3z n VAL 45 Ca -0.01 0.59 -0.32 0.00 -0.01 0.00 0.00 64.34 64.59 1a3z n VAL 45 Cb 0.47 -6.21 0.11 0.00 -0.91 0.00 0.00 33.84 27.30 1a3z n VAL 45 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 1a3z s LEU 46 N -2.73 3.04 0.18 7.52 1.43 -1.26 -4.11 118.68 122.74 1a3z s LEU 46 Ca 0.26 2.05 -0.31 0.00 -1.03 0.00 0.00 54.13 55.10 1a3z s LEU 46 Cb -0.06 -4.55 -0.09 0.00 0.03 0.00 0.00 46.19 41.52 1a3z s LEU 46 CO 0.80 -2.42 1.48 -2.16 0.23 0.00 0.00 176.35 174.28 1a3z s PRO 47 N -4.59 4.26 0.00 1.29 0.04 -1.26 -2.41 135.00 132.33 1a3z s PRO 47 Ca 0.66 2.26 0.00 0.00 0.04 0.00 0.00 61.00 63.96 1a3z s PRO 47 Cb -0.21 -3.17 0.00 0.00 0.04 0.00 0.00 34.50 31.16 1a3z s PRO 47 CO 0.54 -0.50 0.00 0.41 0.04 0.00 0.00 177.00 177.49 1a3z n GLY 48 N 3.22 3.09 3.87 0.56 0.00 -1.26 -5.06 105.19 109.61 1a3z n GLY 48 Ca 0.11 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.83 1a3z n GLY 48 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1a3z s PHE 49 N -2.82 3.52 0.72 1.61 0.40 -1.01 -5.03 117.98 115.36 1a3z s PHE 49 Ca 0.00 1.14 -0.16 0.00 -0.60 0.00 0.00 56.93 57.31 1a3z s PHE 49 Cb 0.00 -2.55 0.03 0.00 0.51 0.00 0.00 43.02 41.02 1a3z s PHE 49 CO 0.00 -0.32 1.25 -2.14 0.70 0.00 0.00 175.22 174.71 1a3z s PRO 50 N -4.36 2.11 -0.09 0.24 0.02 -1.26 -4.85 135.00 126.81 1a3z s PRO 50 Ca 0.53 1.93 0.03 0.00 0.02 0.00 0.00 61.00 63.50 1a3z s PRO 50 Cb -0.10 -1.81 -0.02 0.00 0.02 0.00 0.00 34.50 32.59 1a3z s PRO 50 CO 0.39 -1.90 -0.17 0.12 -0.33 0.00 0.00 177.00 175.10 1a3z s PHE 51 N -1.74 2.67 -0.02 6.54 2.19 -1.26 -3.46 117.98 122.90 1a3z s PHE 51 Ca 0.78 -0.58 -0.08 0.00 0.33 0.00 0.00 56.93 57.39 1a3z s PHE 51 Cb -0.34 -1.71 -0.05 0.00 -1.31 0.00 0.00 43.02 39.61 1a3z s PHE 51 CO 0.45 -0.13 0.27 -1.25 1.83 0.00 0.00 175.22 176.39 1a3z s PRO 52 N -0.06 3.61 0.19 10.12 0.04 -1.26 -5.11 135.00 142.52 1a3z s PRO 52 Ca -0.04 -0.01 -0.23 0.00 0.04 0.00 0.00 61.00 60.76 1a3z s PRO 52 Cb -0.14 -3.12 0.05 0.00 0.04 0.00 0.00 34.50 31.34 1a3z s PRO 52 CO 0.04 0.68 0.70 -1.54 0.04 0.00 0.00 177.00 176.92 1a3z s SER 53 N -1.49 -0.40 -0.01 6.66 1.04 -1.22 -4.01 113.70 114.26 1a3z s SER 53 Ca 0.25 -0.26 0.02 0.00 0.48 0.00 0.00 55.95 56.43 1a3z s SER 53 Cb -0.13 0.62 -0.03 0.00 0.10 0.00 0.00 66.02 66.57 1a3z s SER 53 CO 0.13 -1.07 -0.03 -0.36 0.98 0.00 0.00 173.24 172.89 1a3z s PHE 54 N -3.72 3.01 -0.07 5.02 0.08 -1.26 -0.75 117.98 120.29 1a3z s PHE 54 Ca 0.06 0.04 0.05 0.00 0.12 0.00 0.00 56.93 57.20 1a3z s PHE 54 Cb -0.03 -1.66 -0.00 0.00 -0.57 0.00 0.00 43.02 40.76 1a3z s PHE 54 CO -0.04 0.42 -0.21 -1.21 -0.10 0.00 0.00 175.22 174.08 1a3z s GLU 55 N -1.38 2.38 -0.05 0.44 8.01 0.27 -0.43 118.70 127.95 1a3z s GLU 55 Ca 0.17 -0.77 -0.01 0.00 0.01 0.00 0.00 54.97 54.38 1a3z s GLU 55 Cb -0.11 -1.96 0.03 0.00 -4.31 0.00 0.00 34.13 27.78 1a3z s GLU 55 CO 0.08 0.26 0.01 0.08 0.01 0.00 0.00 175.26 175.70 1a3z s VAL 56 N 0.10 0.20 -1.47 2.63 1.01 -0.49 -0.96 120.40 121.42 1a3z s VAL 56 Ca -0.09 0.16 -0.11 0.00 0.00 0.00 0.00 61.98 61.95 1a3z s VAL 56 Cb -0.14 -0.35 0.06 0.00 0.00 0.00 0.00 36.38 35.94 1a3z s VAL 56 CO 0.05 0.19 0.88 1.57 0.00 0.00 0.00 175.10 177.80 1a3z n HIS 57 N 4.71 -2.29 -1.06 5.22 -0.00 -1.26 -1.61 115.22 118.93 1a3z n HIS 57 Ca -0.15 0.79 -0.02 0.00 -0.00 0.00 0.00 57.72 58.34 1a3z n HIS 57 Cb 0.50 -4.12 -0.01 0.00 -0.00 0.00 0.00 29.99 26.36 1a3z n HIS 57 CO 0.00 0.00 0.00 -3.47 -0.00 0.00 0.00 176.34 172.87 1a3z n ASP 58 N -2.73 -4.56 -4.62 0.26 2.03 -1.26 -5.00 116.55 100.67 1a3z n ASP 58 Ca 0.00 0.05 -0.30 0.00 0.52 0.00 0.00 54.79 55.06 1a3z n ASP 58 Cb 0.55 -2.23 -0.09 0.00 -0.72 0.00 0.00 41.12 38.63 1a3z n ASP 58 CO 0.00 0.00 0.00 -0.54 -1.92 0.00 0.00 177.20 174.74 1a3z s LYS 59 N -1.39 2.32 -0.11 -0.67 -0.14 -0.63 -5.09 119.74 114.03 1a3z s LYS 59 Ca 0.00 -0.92 -0.25 0.00 -1.36 0.00 0.00 55.97 53.44 1a3z s LYS 59 Cb 0.00 -2.41 -0.02 0.00 -1.68 0.00 0.00 37.83 33.72 1a3z s LYS 59 CO 0.00 0.53 0.80 0.21 -0.76 0.00 0.00 175.35 176.13 1a3z s LYS 60 N -2.13 4.38 -1.01 1.68 2.20 -1.26 -1.40 119.74 122.20 1a3z s LYS 60 Ca 0.22 1.01 -0.14 0.00 -0.36 0.00 0.00 55.97 56.70 1a3z s LYS 60 Cb -0.11 -3.52 0.02 0.00 -1.51 0.00 0.00 37.83 32.71 1a3z s LYS 60 CO 0.14 -0.15 0.26 0.09 -0.36 0.00 0.00 175.35 175.33 1a3z n ASN 61 N 4.55 -1.23 -4.84 1.43 3.02 0.43 -4.89 115.26 113.73 1a3z n ASN 61 Ca 0.02 -0.95 -0.29 0.00 -0.03 0.00 0.00 54.58 53.33 1a3z n ASN 61 Cb 0.50 -1.16 0.09 0.00 -0.61 0.00 0.00 39.78 38.60 1a3z n ASN 61 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 1a3z s PRO 62 N -6.54 2.00 -0.12 3.52 0.04 -1.26 -4.72 135.00 127.91 1a3z s PRO 62 Ca 0.19 0.40 -0.19 0.00 0.04 0.00 0.00 61.00 61.44 1a3z s PRO 62 Cb -0.11 -1.93 -0.04 0.00 0.04 0.00 0.00 34.50 32.47 1a3z s PRO 62 CO 0.72 -1.63 0.54 0.99 0.04 0.00 0.00 177.00 177.66 1a3z s THR 63 N -3.32 5.14 -0.19 1.26 2.01 -0.64 -3.99 115.64 115.91 1a3z s THR 63 Ca 0.61 1.07 -0.11 0.00 0.31 0.00 0.00 61.69 63.58 1a3z s THR 63 Cb -0.13 -3.87 -0.05 0.00 0.01 0.00 0.00 72.50 68.46 1a3z s THR 63 CO 0.52 0.29 0.16 -0.76 -0.69 0.00 0.00 174.62 174.14 1a3z s LEU 64 N 0.82 4.22 -0.38 4.42 1.43 0.90 -0.71 118.68 129.37 1a3z s LEU 64 Ca 0.28 0.28 -0.10 0.00 -1.03 0.00 0.00 54.13 53.56 1a3z s LEU 64 Cb -0.16 -2.14 0.04 0.00 0.03 0.00 0.00 46.19 43.97 1a3z s LEU 64 CO 0.12 0.17 0.20 -1.61 0.23 0.00 0.00 176.35 175.46 1a3z s GLU 65 N 0.38 2.74 -0.10 1.70 0.41 0.40 0.38 118.70 124.61 1a3z s GLU 65 Ca 0.09 -1.18 0.01 0.00 -0.41 0.00 0.00 54.97 53.49 1a3z s GLU 65 Cb -0.11 -3.70 -0.02 0.00 -1.78 0.00 0.00 34.13 28.51 1a3z s GLU 65 CO -0.01 -0.75 -0.13 0.42 -0.49 0.00 0.00 175.26 174.30 1a3z s ILE 66 N 1.50 3.09 0.06 -1.63 1.01 -0.09 -1.09 121.20 124.05 1a3z s ILE 66 Ca 0.01 -0.68 -0.31 0.00 0.00 0.00 0.00 60.65 59.68 1a3z s ILE 66 Cb -0.20 -2.26 -0.07 0.00 0.01 0.00 0.00 42.46 39.94 1a3z s ILE 66 CO 0.05 0.55 1.41 -2.84 0.00 0.00 0.00 174.94 174.12 1a3z s PRO 67 N -0.10 4.30 0.38 2.79 0.02 -1.26 -1.46 135.00 139.66 1a3z s PRO 67 Ca -0.02 2.04 -0.27 0.00 0.02 0.00 0.00 61.00 62.78 1a3z s PRO 67 Cb -0.14 -3.42 -0.11 0.00 0.02 0.00 0.00 34.50 30.85 1a3z s PRO 67 CO 0.04 -0.52 1.29 0.00 -0.33 0.00 0.00 177.00 177.47 1a3z n ALA 68 N 4.71 1.33 0.00 -1.55 0.00 -1.17 -2.19 120.51 121.64 1a3z n ALA 68 Ca 0.13 0.31 0.00 0.00 0.00 0.00 0.00 53.44 53.88 1a3z n ALA 68 Cb 0.43 -2.26 0.00 0.00 0.00 0.00 0.00 19.45 17.61 1a3z n ALA 68 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1a3z n GLY 69 N 0.78 1.91 3.84 0.00 0.00 -1.25 -4.99 105.19 105.48 1a3z n GLY 69 Ca 0.05 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.76 1a3z n GLY 69 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1a3z s ALA 70 N -2.41 2.98 -0.20 4.61 0.00 -0.93 -5.02 121.76 120.79 1a3z s ALA 70 Ca 0.00 0.11 -0.18 0.00 0.00 0.00 0.00 51.96 51.90 1a3z s ALA 70 Cb 0.00 -3.13 -0.03 0.00 0.00 0.00 0.00 23.12 19.95 1a3z s ALA 70 CO 0.00 -0.59 0.48 0.99 0.00 0.00 0.00 175.76 176.63 1a3z s THR 71 N -2.83 5.14 -0.37 0.00 2.01 0.66 -4.51 115.64 115.73 1a3z s THR 71 Ca 0.58 0.87 -0.13 0.00 0.31 0.00 0.00 61.69 63.32 1a3z s THR 71 Cb -0.12 -3.80 0.01 0.00 0.01 0.00 0.00 72.50 68.60 1a3z s THR 71 CO 0.42 0.20 0.25 -0.69 -0.69 0.00 0.00 174.62 174.11 1a3z s VAL 72 N 1.55 5.10 -0.44 3.82 1.01 0.52 -1.11 120.40 130.85 1a3z s VAL 72 Ca 0.22 -0.53 -0.17 0.00 0.00 0.00 0.00 61.98 61.50 1a3z s VAL 72 Cb -0.15 -3.75 0.03 0.00 0.00 0.00 0.00 36.38 32.51 1a3z s VAL 72 CO 0.09 -0.17 0.45 -1.81 0.00 0.00 0.00 175.10 173.66 1a3z s ASP 73 N 1.67 6.19 -0.21 3.32 1.01 0.14 -1.06 116.67 127.73 1a3z s ASP 73 Ca 0.05 -0.80 -0.09 0.00 0.71 0.00 0.00 52.55 52.41 1a3z s ASP 73 Cb -0.18 -2.22 -0.05 0.00 1.01 0.00 0.00 42.92 41.48 1a3z s ASP 73 CO 0.09 -0.62 0.11 -0.69 0.21 0.00 0.00 175.17 174.27 1a3z s VAL 74 N 2.11 5.10 -0.19 -1.27 1.01 -0.40 -0.59 120.40 126.17 1a3z s VAL 74 Ca 0.11 0.08 -0.01 0.00 0.00 0.00 0.00 61.98 62.17 1a3z s VAL 74 Cb -0.18 -3.33 0.01 0.00 0.00 0.00 0.00 36.38 32.87 1a3z s VAL 74 CO 0.12 0.41 -0.14 -0.89 0.00 0.00 0.00 175.10 174.60 1a3z s THR 75 N 0.64 2.56 -0.14 3.92 2.01 0.42 -1.43 115.64 123.60 1a3z s THR 75 Ca 0.06 -0.78 -0.00 0.00 0.31 0.00 0.00 61.69 61.28 1a3z s THR 75 Cb -0.12 -2.11 -0.01 0.00 0.01 0.00 0.00 72.50 70.27 1a3z s THR 75 CO 0.01 0.50 -0.13 0.12 -0.69 0.00 0.00 174.62 174.43 1a3z s PHE 76 N 1.28 2.81 -0.12 4.92 5.36 -0.58 -0.94 117.98 130.71 1a3z s PHE 76 Ca 0.04 -0.81 0.02 0.00 -0.96 0.00 0.00 56.93 55.22 1a3z s PHE 76 Cb -0.14 -1.88 0.01 0.00 -0.34 0.00 0.00 43.02 40.68 1a3z s PHE 76 CO -0.08 -0.33 -0.17 0.42 -1.46 0.00 0.00 175.22 173.60 1a3z s ILE 77 N 0.59 1.69 -0.62 3.12 1.01 0.04 -1.65 121.20 125.37 1a3z s ILE 77 Ca -0.08 -0.75 -0.19 0.00 0.00 0.00 0.00 60.65 59.63 1a3z s ILE 77 Cb -0.16 -1.53 0.10 0.00 0.01 0.00 0.00 42.46 40.89 1a3z s ILE 77 CO 0.03 0.48 0.77 0.21 0.00 0.00 0.00 174.94 176.43 1a3z s ASN 78 N 1.00 6.21 -0.02 3.58 2.47 -0.94 -1.13 114.94 126.11 1a3z s ASN 78 Ca -0.05 -1.41 0.19 0.00 0.42 0.00 0.00 52.86 52.01 1a3z s ASN 78 Cb -0.15 -2.32 0.60 0.00 -1.45 0.00 0.00 41.25 37.92 1a3z s ASN 78 CO -0.03 -1.16 1.50 0.35 -3.72 0.00 0.00 177.10 174.04 1a3z n THR 79 N 5.57 1.04 -3.35 -5.21 -2.24 -1.18 -4.31 114.28 104.61 1a3z n THR 79 Ca -0.07 -0.92 -0.42 0.00 -2.27 0.00 0.00 64.05 60.38 1a3z n THR 79 Cb 0.43 0.36 -0.09 0.00 -2.10 0.00 0.00 70.33 68.93 1a3z n THR 79 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 1a3z s ASN 80 N -0.97 6.19 0.26 3.42 3.04 -1.07 -4.79 114.94 121.03 1a3z s ASN 80 Ca 0.44 -0.54 -0.30 0.00 0.04 0.00 0.00 52.86 52.51 1a3z s ASN 80 Cb 0.24 -2.21 -0.10 0.00 -1.54 0.00 0.00 41.25 37.63 1a3z s ASN 80 CO 0.28 -0.50 1.48 -0.54 -3.04 0.00 0.00 177.10 174.78 1a3z s LYS 81 N 2.09 4.23 0.00 0.43 3.01 -1.26 -3.15 119.74 125.09 1a3z s LYS 81 Ca 0.12 2.38 0.00 0.00 -1.01 0.00 0.00 55.97 57.46 1a3z s LYS 81 Cb -0.17 -3.09 0.00 0.00 -1.01 0.00 0.00 37.83 33.57 1a3z s LYS 81 CO 0.13 -0.48 0.00 0.41 0.51 0.00 0.00 175.35 175.92 1a3z n GLY 82 N 2.19 2.30 3.05 -3.33 0.00 -1.26 -5.00 105.19 103.15 1a3z n GLY 82 Ca 0.07 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.90 1a3z n GLY 82 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1a3z s PHE 83 N -2.28 0.91 -0.98 1.61 0.08 -1.19 -5.03 117.98 111.11 1a3z s PHE 83 Ca 0.00 -0.21 -0.02 0.00 0.12 0.00 0.00 56.93 56.82 1a3z s PHE 83 Cb 0.00 -0.58 0.30 0.00 -0.57 0.00 0.00 43.02 42.17 1a3z s PHE 83 CO 0.00 -0.01 1.35 0.41 -0.10 0.00 0.00 175.22 176.87 1a3z n GLY 84 N 2.62 5.18 3.60 4.36 0.00 -1.26 -4.55 105.19 115.13 1a3z n GLY 84 Ca -0.15 -2.69 -0.34 0.00 0.00 0.00 0.00 46.02 42.85 1a3z n GLY 84 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1a3z n HIS 85 N 1.10 0.35 -4.56 1.61 -0.00 -1.26 -3.14 115.22 109.33 1a3z n HIS 85 Ca 0.28 0.36 -0.26 0.00 -0.00 0.00 0.00 57.72 58.10 1a3z n HIS 85 Cb 0.34 -2.00 -0.11 0.00 -0.00 0.00 0.00 29.99 28.23 1a3z n HIS 85 CO 0.00 0.00 0.00 -1.54 -0.00 0.00 0.00 176.34 174.80 1a3z s SER 86 N -2.05 3.70 -0.36 0.41 1.04 -1.26 -2.23 113.70 112.95 1a3z s SER 86 Ca 0.68 -1.26 -0.00 0.00 0.48 0.00 0.00 55.95 55.85 1a3z s SER 86 Cb -0.28 -0.35 0.12 0.00 0.10 0.00 0.00 66.02 65.62 1a3z s SER 86 CO 0.56 -0.29 0.18 0.12 0.98 0.00 0.00 173.24 174.79 1a3z s PHE 87 N -2.67 1.15 -0.08 5.02 2.19 -1.26 -4.04 117.98 118.28 1a3z s PHE 87 Ca 0.33 -1.72 0.03 0.00 0.33 0.00 0.00 56.93 55.90 1a3z s PHE 87 Cb 0.05 -1.30 -0.02 0.00 -1.31 0.00 0.00 43.02 40.44 1a3z s PHE 87 CO 0.17 -0.83 -0.18 -0.51 1.83 0.00 0.00 175.22 175.70 1a3z s ASP 88 N 1.16 3.69 -0.19 6.13 1.01 -0.20 -2.07 116.67 126.20 1a3z s ASP 88 Ca 0.15 -0.35 -0.14 0.00 0.71 0.00 0.00 52.55 52.92 1a3z s ASP 88 Cb -0.21 -1.13 -0.04 0.00 1.01 0.00 0.00 42.92 42.55 1a3z s ASP 88 CO -0.10 0.25 0.30 -0.63 0.21 0.00 0.00 175.17 175.19 1a3z s ILE 89 N -0.15 5.29 0.29 0.77 1.01 0.21 -0.52 121.20 128.11 1a3z s ILE 89 Ca -0.02 0.53 0.03 0.00 0.00 0.00 0.00 60.65 61.18 1a3z s ILE 89 Cb -0.14 -3.63 -0.04 0.00 0.01 0.00 0.00 42.46 38.66 1a3z s ILE 89 CO 0.04 0.34 0.14 0.28 0.00 0.00 0.00 174.94 175.74 1a3z s THR 90 N 0.80 0.38 -0.05 2.92 -1.32 -0.06 -0.36 115.64 117.94 1a3z s THR 90 Ca 0.16 -2.00 0.20 0.00 -1.21 0.00 0.00 61.69 58.83 1a3z s THR 90 Cb -0.13 -2.54 -0.30 0.00 -1.51 0.00 0.00 72.50 68.02 1a3z s THR 90 CO 0.05 0.00 0.38 0.29 -2.21 0.00 0.00 174.62 173.13 1a3z n LYS 91 N -0.55 0.66 -2.38 7.08 5.02 -1.26 -0.31 118.16 126.41 1a3z n LYS 91 Ca 0.01 -0.16 -0.42 0.00 -2.02 0.00 0.00 58.31 55.72 1a3z n LYS 91 Cb 0.65 -1.47 -0.03 0.00 -0.02 0.00 0.00 35.03 34.16 1a3z n LYS 91 CO 0.00 0.00 0.00 0.21 -0.52 0.00 0.00 177.40 177.09 1a3z s LYS 92 N -3.25 4.43 0.57 1.97 2.20 -1.26 -4.79 119.74 119.61 1a3z s LYS 92 Ca -0.08 1.83 0.09 0.00 -0.36 0.00 0.00 55.97 57.46 1a3z s LYS 92 Cb 0.12 -3.31 0.09 0.00 -1.51 0.00 0.00 37.83 33.22 1a3z s LYS 92 CO 0.82 -0.24 0.76 0.41 -0.36 0.00 0.00 175.35 176.74 1a3z n GLY 93 N 3.05 2.03 3.72 5.54 0.00 -1.26 -4.72 105.19 113.54 1a3z n GLY 93 Ca 0.08 -2.23 -0.31 0.00 0.00 0.00 0.00 46.02 43.56 1a3z n GLY 93 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1a3z s PRO 94 N -4.58 1.63 0.44 1.61 0.04 -1.26 -4.61 135.00 128.27 1a3z s PRO 94 Ca 0.58 1.39 -0.17 0.00 0.04 0.00 0.00 61.00 62.85 1a3z s PRO 94 Cb -0.05 -1.81 -0.09 0.00 0.04 0.00 0.00 34.50 32.60 1a3z s PRO 94 CO 0.37 -2.15 0.90 -1.25 0.04 0.00 0.00 177.00 174.91 1a3z s PRO 95 N -4.72 4.01 0.03 0.56 0.04 -1.26 -5.17 135.00 128.50 1a3z s PRO 95 Ca 0.65 0.88 0.00 0.00 0.04 0.00 0.00 61.00 62.57 1a3z s PRO 95 Cb -0.21 -2.23 -0.04 0.00 0.04 0.00 0.00 34.50 32.06 1a3z s PRO 95 CO 0.56 -0.10 0.12 0.71 0.04 0.00 0.00 177.00 178.33 1a3z s TYR 96 N -2.36 3.33 0.89 0.56 2.02 -1.26 -5.09 117.35 115.45 1a3z s TYR 96 Ca 0.58 0.20 -0.13 0.00 -0.37 0.00 0.00 57.07 57.35 1a3z s TYR 96 Cb -0.10 -1.72 0.17 0.00 -0.40 0.00 0.00 41.96 39.91 1a3z s TYR 96 CO 0.24 0.56 1.24 0.00 -1.57 0.00 0.00 175.55 176.02 1a3z s ALA 97 N -1.33 2.57 0.21 3.71 0.00 -1.26 -4.26 121.76 121.40 1a3z s ALA 97 Ca 0.28 -1.21 -0.09 0.00 0.00 0.00 0.00 51.96 50.93 1a3z s ALA 97 Cb -0.12 -2.66 0.25 0.00 0.00 0.00 0.00 23.12 20.58 1a3z s ALA 97 CO 0.20 -2.13 1.79 0.28 0.00 0.00 0.00 175.76 175.90 1a3z h VAL 98 N -1.34 0.93 -3.42 0.00 2.07 -1.97 -3.09 116.25 109.43 1a3z h VAL 98 Ca -0.43 -0.21 -0.68 0.00 0.82 0.00 0.00 66.70 66.19 1a3z h VAL 98 Cb 1.25 0.25 -0.37 0.00 -1.52 0.00 0.00 31.29 30.90 1a3z h VAL 98 CO 0.43 0.11 -0.35 -0.04 0.02 0.00 0.00 177.57 177.74 1a3z s MET 99 N -6.09 2.67 0.41 1.57 -1.94 -1.26 -1.19 119.30 113.48 1a3z s MET 99 Ca -0.13 -2.84 -0.24 0.00 -1.71 0.00 0.00 55.69 50.77 1a3z s MET 99 Cb 0.16 -3.70 -0.11 0.00 2.01 0.00 0.00 34.83 33.19 1a3z s MET 99 CO 0.76 -1.20 0.96 -2.30 -0.01 0.00 0.00 175.02 173.22 1a3z n PRO 100 N 2.95 1.25 -3.75 2.03 -0.02 -1.17 -4.95 135.00 131.35 1a3z n PRO 100 Ca 0.12 0.45 -0.36 0.00 -2.02 0.00 0.00 63.50 61.70 1a3z n PRO 100 Cb 0.37 -1.97 -0.10 0.00 -0.02 0.00 0.00 33.50 31.77 1a3z n PRO 100 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1a3z s VAL 101 N -1.28 3.57 -0.17 -1.45 1.01 -1.26 -4.91 120.40 115.90 1a3z s VAL 101 Ca 0.63 -2.99 0.10 0.00 0.00 0.00 0.00 61.98 59.72 1a3z s VAL 101 Cb -0.57 -3.34 0.20 0.00 0.00 0.00 0.00 36.38 32.67 1a3z s VAL 101 CO 0.57 -0.86 1.13 2.30 0.00 0.00 0.00 175.10 178.24 1a3z n ILE 102 N 3.45 1.48 -2.29 2.22 -5.35 -1.26 -4.97 119.36 112.64 1a3z n ILE 102 Ca 0.07 -1.59 -0.38 0.00 -0.27 0.00 0.00 62.75 60.58 1a3z n ILE 102 Cb 0.37 0.13 -0.02 0.00 -1.74 0.00 0.00 39.64 38.38 1a3z n ILE 102 CO 0.00 0.00 0.00 -1.81 -1.76 0.00 0.00 176.55 172.98 1a3z s ASP 103 N -1.83 6.55 0.07 7.28 1.01 -1.26 -3.92 116.67 124.57 1a3z s ASP 103 Ca 0.19 2.36 -0.18 0.00 0.71 0.00 0.00 52.55 55.63 1a3z s ASP 103 Cb 0.16 -2.62 -0.07 0.00 1.01 0.00 0.00 42.92 41.41 1a3z s ASP 103 CO 0.04 -0.66 0.54 -2.16 0.21 0.00 0.00 175.17 173.14 1a3z s PRO 104 N -2.26 4.15 0.11 8.23 0.04 -1.26 -5.00 135.00 139.02 1a3z s PRO 104 Ca 0.56 0.68 -0.31 0.00 0.04 0.00 0.00 61.00 61.98 1a3z s PRO 104 Cb -0.31 -3.22 -0.07 0.00 0.04 0.00 0.00 34.50 30.94 1a3z s PRO 104 CO 0.39 0.64 1.27 0.42 0.04 0.00 0.00 177.00 179.76 1a3z s ILE 105 N -1.12 3.65 0.07 0.56 1.09 -1.25 -4.65 121.20 119.54 1a3z s ILE 105 Ca 0.29 1.23 -0.14 0.00 -1.10 0.00 0.00 60.65 60.93 1a3z s ILE 105 Cb -0.19 -3.79 -0.26 0.00 -1.06 0.00 0.00 42.46 37.16 1a3z s ILE 105 CO 0.18 0.12 1.15 0.58 -0.10 0.00 0.00 174.94 176.88 1a3z h VAL 106 N 4.21 1.28 -1.77 2.92 2.07 -1.05 -3.47 116.25 120.45 1a3z h VAL 106 Ca -0.43 -2.35 0.02 0.00 0.82 0.00 0.00 66.70 64.76 1a3z h VAL 106 Cb 1.21 2.52 -0.24 0.00 -1.52 0.00 0.00 31.29 33.27 1a3z h VAL 106 CO 0.81 0.72 0.32 0.00 0.02 0.00 0.00 177.57 179.44 1a3z s ALA 107 N -3.16 -1.89 0.09 1.67 0.00 -1.23 -5.02 121.76 112.22 1a3z s ALA 107 Ca -0.09 1.91 -0.26 0.00 0.00 0.00 0.00 51.96 53.52 1a3z s ALA 107 Cb 0.06 -1.27 0.09 0.00 0.00 0.00 0.00 23.12 22.00 1a3z s ALA 107 CO 0.93 -0.28 1.10 0.20 0.00 0.00 0.00 175.76 177.70 1a3z s GLY 108 N 0.21 -0.22 -0.02 0.00 0.00 -1.26 0.67 107.32 106.70 1a3z s GLY 108 Ca 0.01 0.22 0.14 0.00 0.00 0.00 0.00 44.72 45.10 1a3z s GLY 108 CO -0.03 0.80 0.31 -1.30 0.00 0.00 0.00 173.10 172.88 1a3z n THR 109 N -0.54 0.00 -0.07 0.90 -2.24 -0.88 -4.98 114.28 106.47 1a3z n THR 109 Ca -0.06 -0.32 0.01 0.00 -2.27 0.00 0.00 64.05 61.41 1a3z n THR 109 Cb 0.61 0.17 -0.00 0.00 -2.10 0.00 0.00 70.33 69.01 1a3z n THR 109 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1a3z n GLY 110 N 1.70 -1.68 3.73 3.38 0.00 -1.26 -4.83 105.19 106.22 1a3z n GLY 110 Ca -0.03 -1.50 -0.42 0.00 0.00 0.00 0.00 46.02 44.08 1a3z n GLY 110 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1a3z s PHE 111 N -1.63 3.12 0.46 1.61 0.08 -1.26 -4.34 117.98 116.03 1a3z s PHE 111 Ca 0.00 0.87 -0.02 0.00 0.12 0.00 0.00 56.93 57.90 1a3z s PHE 111 Cb 0.00 -3.80 -0.01 0.00 -0.57 0.00 0.00 43.02 38.64 1a3z s PHE 111 CO 0.00 -2.79 0.71 -1.54 -0.10 0.00 0.00 175.22 171.50 1a3z s SER 112 N 0.87 5.94 0.45 1.36 1.04 -0.95 -4.99 113.70 117.42 1a3z s SER 112 Ca 0.65 0.50 -0.22 0.00 0.48 0.00 0.00 55.95 57.36 1a3z s SER 112 Cb -0.41 -1.76 -0.09 0.00 0.10 0.00 0.00 66.02 63.86 1a3z s SER 112 CO 0.34 -0.68 1.03 -2.16 0.98 0.00 0.00 173.24 172.75 1a3z s PRO 113 N -4.63 3.98 0.52 4.02 0.04 -1.26 -4.28 135.00 133.40 1a3z s PRO 113 Ca 0.48 1.38 -0.18 0.00 0.04 0.00 0.00 61.00 62.71 1a3z s PRO 113 Cb -0.10 -2.26 -0.07 0.00 0.04 0.00 0.00 34.50 32.11 1a3z s PRO 113 CO 0.40 -0.27 1.03 0.14 0.04 0.00 0.00 177.00 178.34 1a3z s VAL 114 N -1.90 3.94 0.56 -0.36 -7.23 -1.26 -4.56 120.40 109.59 1a3z s VAL 114 Ca 0.63 1.07 -0.21 0.00 -1.81 0.00 0.00 61.98 61.66 1a3z s VAL 114 Cb -0.17 -3.47 -0.05 0.00 0.56 0.00 0.00 36.38 33.25 1a3z s VAL 114 CO 0.21 -0.40 1.23 -2.65 -0.31 0.00 0.00 175.10 173.18 1a3z n PRO 115 N -1.39 1.40 -3.52 4.82 -0.02 -1.26 -4.80 135.00 130.22 1a3z n PRO 115 Ca 0.09 0.52 -0.18 0.00 -2.02 0.00 0.00 63.50 61.91 1a3z n PRO 115 Cb 0.53 -2.42 -0.06 0.00 -0.02 0.00 0.00 33.50 31.52 1a3z n PRO 115 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 1a3z s LYS 116 N -2.84 1.03 -1.39 -0.52 2.20 -0.45 -4.77 119.74 113.00 1a3z s LYS 116 Ca 0.73 0.25 -0.12 0.00 -0.36 0.00 0.00 55.97 56.48 1a3z s LYS 116 Cb -0.43 0.49 0.09 0.00 -1.51 0.00 0.00 37.83 36.47 1a3z s LYS 116 CO 0.48 -0.32 0.59 -0.25 -0.36 0.00 0.00 175.35 175.49 1a3z n ASP 117 N 0.90 -3.71 -0.60 1.43 8.00 -1.26 -0.33 116.55 120.97 1a3z n ASP 117 Ca -0.18 -0.55 -0.08 0.00 0.71 0.00 0.00 54.79 54.69 1a3z n ASP 117 Cb 0.57 -3.05 -0.03 0.00 -0.02 0.00 0.00 41.12 38.58 1a3z n ASP 117 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1a3z n GLY 118 N -1.26 0.98 3.20 0.44 0.00 -1.26 -5.02 105.19 102.27 1a3z n GLY 118 Ca 0.01 -0.55 -0.20 0.00 0.00 0.00 0.00 46.02 45.28 1a3z n GLY 118 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1a3z s LYS 119 N -2.52 0.93 -0.09 1.61 1.02 0.55 -4.41 119.74 116.83 1a3z s LYS 119 Ca 0.00 -0.97 0.03 0.00 0.02 0.00 0.00 55.97 55.05 1a3z s LYS 119 Cb 0.00 -1.00 -0.01 0.00 -0.52 0.00 0.00 37.83 36.29 1a3z s LYS 119 CO 0.00 0.23 -0.19 -0.06 -0.92 0.00 0.00 175.35 174.42 1a3z s PHE 120 N -1.15 2.65 0.42 3.18 0.08 0.86 -1.35 117.98 122.67 1a3z s PHE 120 Ca 0.01 -0.67 -0.22 0.00 0.12 0.00 0.00 56.93 56.16 1a3z s PHE 120 Cb -0.10 -1.72 -0.09 0.00 -0.57 0.00 0.00 43.02 40.54 1a3z s PHE 120 CO 0.03 -0.19 1.01 0.20 -0.10 0.00 0.00 175.22 176.16 1a3z s GLY 121 N 0.05 2.59 0.09 4.36 0.00 -1.26 -1.26 107.32 111.89 1a3z s GLY 121 Ca -0.07 0.58 -0.18 0.00 0.00 0.00 0.00 44.72 45.04 1a3z s GLY 121 CO 0.05 0.94 0.44 -2.52 0.00 0.00 0.00 173.10 172.00 1a3z s TYR 122 N -1.88 -0.28 0.18 1.90 1.13 -0.03 -2.21 117.35 116.17 1a3z s TYR 122 Ca 0.61 0.12 -0.07 0.00 -1.41 0.00 0.00 57.07 56.32 1a3z s TYR 122 Cb -0.17 0.28 -0.02 0.00 -1.10 0.00 0.00 41.96 40.95 1a3z s TYR 122 CO 0.21 -0.66 0.25 -0.08 -2.51 0.00 0.00 175.55 172.76 1a3z s THR 123 N -3.14 0.05 0.05 -3.49 -1.32 -0.66 -0.52 115.64 106.61 1a3z s THR 123 Ca -0.01 -1.60 0.04 0.00 -1.21 0.00 0.00 61.69 58.91 1a3z s THR 123 Cb 0.00 -2.06 -0.02 0.00 -1.51 0.00 0.00 72.50 68.91 1a3z s THR 123 CO -0.07 -0.22 -0.12 -1.81 -2.21 0.00 0.00 174.62 170.18 1a3z s ASP 124 N -3.03 1.42 0.10 8.08 1.11 -1.26 -1.52 116.67 121.57 1a3z s ASP 124 Ca 0.23 -0.50 -0.15 0.00 0.18 0.00 0.00 52.55 52.31 1a3z s ASP 124 Cb 0.04 -0.06 0.03 0.00 1.07 0.00 0.00 42.92 44.00 1a3z s ASP 124 CO 0.04 -0.05 0.37 0.72 1.18 0.00 0.00 175.17 177.43 1a3z s PHE 125 N -1.03 -0.17 0.21 4.23 -0.12 -0.52 -4.66 117.98 115.93 1a3z s PHE 125 Ca -0.02 -0.09 0.08 0.00 -0.05 0.00 0.00 56.93 56.85 1a3z s PHE 125 Cb -0.08 0.20 -0.04 0.00 -0.63 0.00 0.00 43.02 42.46 1a3z s PHE 125 CO 0.01 -0.64 0.06 -0.08 -0.05 0.00 0.00 175.22 174.52 1a3z s THR 126 N -3.41 3.89 -0.16 -4.49 -1.32 -1.26 -1.28 115.64 107.61 1a3z s THR 126 Ca 0.01 -1.51 -0.10 0.00 -1.21 0.00 0.00 61.69 58.88 1a3z s THR 126 Cb 0.01 -3.02 0.06 0.00 -1.51 0.00 0.00 72.50 68.04 1a3z s THR 126 CO -0.09 -0.23 0.40 0.86 -2.21 0.00 0.00 174.62 173.35 1a3z s TRP 127 N -1.98 -0.56 -0.55 9.09 -0.00 -0.22 -4.97 118.94 119.75 1a3z s TRP 127 Ca 0.30 1.23 0.04 0.00 -0.00 0.00 0.00 56.10 57.67 1a3z s TRP 127 Cb -0.08 0.24 0.14 0.00 -0.00 0.00 0.00 33.47 33.76 1a3z s TRP 127 CO 0.21 -0.32 0.31 -1.01 -0.00 0.00 0.00 176.95 176.14 1a3z s HIS 128 N 1.21 3.03 0.38 5.86 3.76 -1.26 -0.35 115.29 127.92 1a3z s HIS 128 Ca -0.08 -3.08 -0.09 0.00 -0.15 0.00 0.00 55.06 51.66 1a3z s HIS 128 Cb -0.08 -2.61 -0.06 0.00 1.11 0.00 0.00 32.58 30.95 1a3z s HIS 128 CO -0.10 -0.70 0.72 -1.25 -0.85 0.00 0.00 174.74 172.55 1a3z s PRO 129 N -0.45 3.72 0.17 8.40 0.04 -1.26 -5.05 135.00 140.57 1a3z s PRO 129 Ca 0.19 0.33 0.01 0.00 0.04 0.00 0.00 61.00 61.57 1a3z s PRO 129 Cb -0.20 -2.45 -0.04 0.00 0.04 0.00 0.00 34.50 31.85 1a3z s PRO 129 CO -0.04 0.01 0.33 0.95 0.04 0.00 0.00 177.00 178.29 1a3z s THR 130 N -2.33 5.27 0.33 1.26 -4.23 -1.26 -3.97 115.64 110.71 1a3z s THR 130 Ca 0.49 -0.55 -0.26 0.00 -1.18 0.00 0.00 61.69 60.20 1a3z s THR 130 Cb -0.10 -3.74 -0.14 0.00 1.34 0.00 0.00 72.50 69.86 1a3z s THR 130 CO 0.32 -0.14 0.71 0.00 -0.54 0.00 0.00 174.62 174.98 1a3z n ALA 131 N -0.62 -1.29 0.00 3.99 0.00 -1.26 -4.85 120.51 116.48 1a3z n ALA 131 Ca -0.06 0.30 0.00 0.00 0.00 0.00 0.00 53.44 53.68 1a3z n ALA 131 Cb 0.54 -1.83 0.00 0.00 0.00 0.00 0.00 19.45 18.16 1a3z n ALA 131 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1a3z n GLY 132 N 1.61 -0.42 3.18 0.00 0.00 0.43 -4.98 105.19 105.01 1a3z n GLY 132 Ca 0.12 -1.50 -0.31 0.00 0.00 0.00 0.00 46.02 44.33 1a3z n GLY 132 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1a3z s THR 133 N -2.62 1.97 0.29 2.61 2.01 -1.26 -1.45 115.64 117.19 1a3z s THR 133 Ca 0.00 -0.95 0.05 0.00 0.31 0.00 0.00 61.69 61.10 1a3z s THR 133 Cb 0.00 -1.72 -0.06 0.00 0.01 0.00 0.00 72.50 70.73 1a3z s THR 133 CO 0.00 0.54 0.00 -0.31 -0.69 0.00 0.00 174.62 174.16 1a3z s TYR 134 N 0.57 1.91 -0.04 4.92 1.51 -0.28 -4.78 117.35 121.16 1a3z s TYR 134 Ca -0.14 -0.84 0.02 0.00 -1.01 0.00 0.00 57.07 55.10 1a3z s TYR 134 Cb -0.17 -1.17 0.02 0.00 -0.11 0.00 0.00 41.96 40.53 1a3z s TYR 134 CO 0.04 0.12 -0.07 0.71 -1.11 0.00 0.00 175.55 175.24 1a3z s TYR 135 N -3.19 0.89 -0.20 2.71 2.02 0.58 -0.14 117.35 120.02 1a3z s TYR 135 Ca 0.32 -0.26 -0.13 0.00 -0.37 0.00 0.00 57.07 56.63 1a3z s TYR 135 Cb 0.06 -0.72 -0.05 0.00 -0.40 0.00 0.00 41.96 40.86 1a3z s TYR 135 CO 0.13 -0.18 0.27 1.52 -1.57 0.00 0.00 175.55 175.71 1a3z s TYR 136 N 0.72 3.39 0.07 2.71 -0.85 -0.63 -0.88 117.35 121.89 1a3z s TYR 136 Ca -0.11 0.47 -0.00 0.00 -0.52 0.00 0.00 57.07 56.91 1a3z s TYR 136 Cb -0.14 -2.35 -0.04 0.00 0.38 0.00 0.00 41.96 39.81 1a3z s TYR 136 CO 0.01 0.13 -0.04 0.14 -1.52 0.00 0.00 175.55 174.27 1a3z s VAL 137 N 0.84 0.38 -0.17 -3.49 -7.23 0.32 -1.27 120.40 109.79 1a3z s VAL 137 Ca 0.14 -1.84 -0.08 0.00 -1.81 0.00 0.00 61.98 58.39 1a3z s VAL 137 Cb -0.13 -1.56 -0.04 0.00 0.56 0.00 0.00 36.38 35.20 1a3z s VAL 137 CO 0.04 -0.95 0.08 0.00 -0.31 0.00 0.00 175.10 173.97 1a3z n GLN 139 N 3.28 1.58 -2.12 0.00 6.02 -1.26 -3.73 117.38 121.14 1a3z n GLN 139 Ca -0.17 -0.88 -0.42 0.00 -0.01 0.00 0.00 57.00 55.52 1a3z n GLN 139 Cb 0.53 -1.31 -0.03 0.00 1.02 0.00 0.00 30.24 30.45 1a3z n GLN 139 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 1a3z s ILE 140 N -1.77 3.54 -0.24 5.09 1.01 -1.26 -4.85 121.20 122.72 1a3z s ILE 140 Ca 0.26 0.89 -0.41 0.00 0.00 0.00 0.00 60.65 61.39 1a3z s ILE 140 Cb 0.14 -3.57 -0.19 0.00 0.01 0.00 0.00 42.46 38.84 1a3z s ILE 140 CO 0.20 -0.02 1.27 -2.65 0.00 0.00 0.00 174.94 173.74 1a3z n PRO 141 N 5.74 0.00 0.00 2.79 -0.02 -1.26 -0.68 135.00 141.57 1a3z n PRO 141 Ca 0.14 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.62 1a3z n PRO 141 Cb 0.43 -1.42 0.00 0.00 -0.02 0.00 0.00 33.50 32.48 1a3z n PRO 141 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1a3z n GLY 142 N 2.61 3.15 0.26 -1.23 0.00 -0.33 -4.92 105.19 104.74 1a3z n GLY 142 Ca 0.24 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.12 1a3z n GLY 142 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 173.32 173.77 1a3z h HIS 143 N 0.00 -0.55 -0.78 1.61 3.86 -1.18 -2.27 115.15 115.84 1a3z h HIS 143 Ca 0.00 -0.01 -0.01 0.00 -1.16 0.00 0.00 60.37 59.19 1a3z h HIS 143 Cb 0.00 0.18 -0.04 0.00 1.06 0.00 0.00 27.41 28.61 1a3z h HIS 143 CO 0.00 -0.23 0.46 0.00 0.86 0.00 0.00 177.93 179.02 1a3z h ALA 144 N -0.47 1.00 -0.52 2.45 0.00 -1.75 -1.06 119.26 118.91 1a3z h ALA 144 Ca -0.06 -0.10 0.15 0.00 0.00 0.00 0.00 54.91 54.90 1a3z h ALA 144 Cb 0.57 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 18.02 1a3z h ALA 144 CO 0.10 0.48 0.43 0.00 0.00 0.00 0.00 179.25 180.27 1a3z h ALA 145 N 1.24 2.36 -0.41 0.00 0.00 -1.73 -0.41 119.26 120.32 1a3z h ALA 145 Ca 0.28 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.17 1a3z h ALA 145 Cb -0.01 0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.82 1a3z h ALA 145 CO -0.05 -0.70 0.00 0.25 0.00 0.00 0.00 179.25 178.75 1a3z n THR 146 N -4.07 2.03 0.00 0.00 -2.24 -0.49 -4.88 114.28 104.63 1a3z n THR 146 Ca 0.10 -1.50 0.00 0.00 -2.27 0.00 0.00 64.05 60.37 1a3z n THR 146 Cb 0.65 -0.04 0.00 0.00 -2.10 0.00 0.00 70.33 68.84 1a3z n THR 146 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1a3z n GLY 147 N 0.19 1.00 3.10 3.38 0.00 -0.16 -4.77 105.19 107.92 1a3z n GLY 147 Ca 0.21 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.80 1a3z n GLY 147 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 1a3z n MET 148 N -0.89 3.45 -3.45 1.61 0.00 -0.68 -4.83 117.12 112.32 1a3z n MET 148 Ca 0.00 -3.54 -0.13 0.00 0.00 0.00 0.00 57.70 54.04 1a3z n MET 148 Cb 0.00 -3.03 -0.03 0.00 0.00 0.00 0.00 33.22 30.16 1a3z n MET 148 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 175.97 175.38 1a3z s PHE 149 N 1.26 -0.54 0.21 1.12 -0.12 -1.26 -2.78 117.98 115.88 1a3z s PHE 149 Ca 0.42 0.46 -0.06 0.00 -0.05 0.00 0.00 56.93 57.70 1a3z s PHE 149 Cb 0.06 0.53 -0.03 0.00 -0.63 0.00 0.00 43.02 42.95 1a3z s PHE 149 CO 0.00 -0.77 0.26 0.20 -0.05 0.00 0.00 175.22 174.86 1a3z s GLY 150 N -2.44 1.03 -0.02 1.99 0.00 -0.40 -4.82 107.32 102.66 1a3z s GLY 150 Ca -0.01 -1.34 0.02 0.00 0.00 0.00 0.00 44.72 43.40 1a3z s GLY 150 CO -0.09 -1.08 -0.04 1.25 0.00 0.00 0.00 173.10 173.14 1a3z s LYS 151 N -4.09 2.68 -0.10 2.90 2.20 -1.26 -1.60 119.74 120.48 1a3z s LYS 151 Ca 0.31 -0.64 0.04 0.00 -0.36 0.00 0.00 55.97 55.32 1a3z s LYS 151 Cb 0.04 -2.58 0.00 0.00 -1.51 0.00 0.00 37.83 33.78 1a3z s LYS 151 CO 0.10 0.63 -0.22 0.42 -0.36 0.00 0.00 175.35 175.92 1a3z s ILE 152 N -0.98 1.89 -0.29 5.43 1.01 0.81 -0.07 121.20 128.99 1a3z s ILE 152 Ca 0.17 -0.92 0.01 0.00 0.00 0.00 0.00 60.65 59.91 1a3z s ILE 152 Cb -0.11 -1.64 0.07 0.00 0.01 0.00 0.00 42.46 40.78 1a3z s ILE 152 CO 0.07 0.52 -0.04 -0.69 0.00 0.00 0.00 174.94 174.80 1a3z s VAL 153 N 0.43 2.51 -0.37 2.92 1.01 0.16 -1.12 120.40 125.93 1a3z s VAL 153 Ca -0.17 -1.68 -0.15 0.00 0.00 0.00 0.00 61.98 59.97 1a3z s VAL 153 Cb -0.17 -2.53 -0.00 0.00 0.00 0.00 0.00 36.38 33.68 1a3z s VAL 153 CO 0.07 -0.17 0.35 -0.69 0.00 0.00 0.00 175.10 174.67 1a3z s VAL 154 N 1.12 5.18 0.00 2.92 1.01 -0.53 -0.91 120.40 129.19 1a3z s VAL 154 Ca -0.04 -0.17 0.00 0.00 0.00 0.00 0.00 61.98 61.77 1a3z s VAL 154 Cb -0.20 -3.87 0.00 0.00 0.00 0.00 0.00 36.38 32.31 1a3z s VAL 154 CO -0.04 -0.19 0.00 0.29 0.00 0.00 0.00 175.10 175.16