#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rzn h LEU 34 N 0.00 0.81 -0.01 -4.42 5.85 -1.98 -2.55 115.31 113.01 1rzn h LEU 34 Ca 0.00 0.01 -0.00 0.00 0.84 0.00 0.00 57.88 58.73 1rzn h LEU 34 Cb 0.00 -0.16 -0.00 0.00 0.37 0.00 0.00 40.66 40.87 1rzn h LEU 34 CO 0.00 0.53 -0.00 -0.08 -0.34 0.00 0.00 178.44 178.55 1rzn h GLU 35 N 0.95 0.02 -0.46 1.25 4.81 -1.98 0.87 114.58 120.04 1rzn h GLU 35 Ca 0.35 -0.01 0.07 0.00 -0.13 0.00 0.00 59.36 59.65 1rzn h GLU 35 Cb 0.13 -0.00 -0.06 0.00 0.63 0.00 0.00 28.75 29.45 1rzn h GLU 35 CO -0.16 0.33 0.12 0.22 -0.73 0.00 0.00 179.01 178.79 1rzn h ASP 36 N -0.29 0.07 -0.61 1.04 3.58 -1.97 -0.43 116.42 117.82 1rzn h ASP 36 Ca 0.00 0.07 0.05 0.00 0.42 0.00 0.00 57.03 57.57 1rzn h ASP 36 Cb 0.32 0.08 -0.05 0.00 1.72 0.00 0.00 39.33 41.40 1rzn h ASP 36 CO 0.00 0.07 0.34 0.44 -2.88 0.00 0.00 179.24 177.21 1rzn h ASP 37 N 0.27 0.51 -0.18 2.28 3.32 -1.03 -1.61 116.42 119.98 1rzn h ASP 37 Ca 0.22 0.02 -0.12 0.00 0.02 0.00 0.00 57.03 57.18 1rzn h ASP 37 Cb 0.26 -0.08 -0.01 0.00 0.22 0.00 0.00 39.33 39.72 1rzn h ASP 37 CO -0.27 0.34 -0.30 -0.07 -1.72 0.00 0.00 179.24 177.22 1rzn h LEU 38 N 0.64 0.69 -0.18 1.55 3.38 -0.63 -0.74 115.31 120.01 1rzn h LEU 38 Ca 0.26 -0.27 0.05 0.00 0.09 0.00 0.00 57.88 58.02 1rzn h LEU 38 Cb 0.13 -0.19 -0.06 0.00 0.09 0.00 0.00 40.66 40.64 1rzn h LEU 38 CO -0.16 0.95 -0.17 -1.13 0.09 0.00 0.00 178.44 178.02 1rzn h ASN 39 N 0.57 -0.54 0.05 -0.43 -1.24 -0.71 -0.31 115.58 112.97 1rzn h ASN 39 Ca 0.07 0.10 -0.12 0.00 0.71 0.00 0.00 56.30 57.06 1rzn h ASN 39 Cb 0.80 0.26 -0.01 0.00 0.73 0.00 0.00 38.32 40.10 1rzn h ASN 39 CO 0.07 -0.21 -0.38 -0.33 -1.29 0.00 0.00 177.43 175.28 1rzn h GLU 40 N -0.19 0.44 -0.21 6.67 4.39 -1.13 0.97 114.58 125.51 1rzn h GLU 40 Ca 0.11 -0.21 0.00 0.00 0.34 0.00 0.00 59.36 59.61 1rzn h GLU 40 Cb 0.36 -0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.99 1rzn h GLU 40 CO -0.30 0.76 0.14 1.15 -1.16 0.00 0.00 179.01 179.60 1rzn h THR 41 N 0.37 1.05 -0.43 1.13 2.02 -1.03 -2.15 112.91 113.86 1rzn h THR 41 Ca 0.04 -0.10 -0.07 0.00 0.77 0.00 0.00 66.41 67.05 1rzn h THR 41 Cb 0.84 0.74 -0.02 0.00 -1.74 0.00 0.00 68.15 67.97 1rzn h THR 41 CO 0.07 0.05 0.01 0.78 0.37 0.00 0.00 175.52 176.80 1rzn h ASN 42 N 0.29 0.74 -0.90 4.18 2.35 -0.66 0.40 115.58 121.98 1rzn h ASN 42 Ca 0.08 -0.30 -0.00 0.00 -0.55 0.00 0.00 56.30 55.53 1rzn h ASN 42 Cb -0.03 -0.20 -0.04 0.00 0.05 0.00 0.00 38.32 38.10 1rzn h ASN 42 CO -0.02 0.86 0.56 0.11 -1.65 0.00 0.00 177.43 177.29 1rzn h LYS 43 N 0.60 1.21 -0.52 0.81 1.57 -0.86 -0.22 116.57 119.15 1rzn h LYS 43 Ca 0.12 -0.10 -0.07 0.00 -1.87 0.00 0.00 60.65 58.74 1rzn h LYS 43 Cb 0.48 -0.26 -0.02 0.00 0.08 0.00 0.00 32.23 32.51 1rzn h LYS 43 CO 0.02 0.83 0.06 -0.92 -0.57 0.00 0.00 179.45 178.88 1rzn h TYR 44 N 1.23 0.94 -0.46 -1.35 5.03 -1.04 -1.46 116.97 119.86 1rzn h TYR 44 Ca 0.33 -0.14 -0.11 0.00 2.58 0.00 0.00 58.73 61.38 1rzn h TYR 44 Cb -0.08 -0.25 -0.02 0.00 1.55 0.00 0.00 36.73 37.93 1rzn h TYR 44 CO -0.00 0.85 -0.16 1.88 -1.32 0.00 0.00 178.16 179.41 1rzn h TYR 45 N 0.76 0.99 0.83 -3.82 0.05 -0.43 -2.89 116.97 112.45 1rzn h TYR 45 Ca 0.16 -0.21 -0.04 0.00 0.05 0.00 0.00 58.73 58.68 1rzn h TYR 45 Cb 0.43 -0.24 0.01 0.00 1.01 0.00 0.00 36.73 37.94 1rzn h TYR 45 CO 0.03 0.97 -0.40 1.25 -1.05 0.00 0.00 178.16 178.97 1rzn h LEU 46 N 0.78 -0.94 -1.67 3.88 6.46 -0.71 -0.61 115.31 122.50 1rzn h LEU 46 Ca 0.12 0.03 0.16 0.00 -0.12 0.00 0.00 57.88 58.07 1rzn h LEU 46 Cb 0.69 0.24 -0.02 0.00 -0.73 0.00 0.00 40.66 40.84 1rzn h LEU 46 CO 0.05 -0.61 0.68 0.00 -0.62 0.00 0.00 178.44 177.94 1rzn h THR 47 N -1.24 0.22 -0.32 1.05 1.03 -1.38 0.67 112.91 112.94 1rzn h THR 47 Ca -0.11 0.00 0.00 0.00 -0.01 0.00 0.00 66.41 66.29 1rzn h THR 47 Cb 0.85 0.44 0.00 0.00 -1.07 0.00 0.00 68.15 68.37 1rzn h THR 47 CO 0.19 0.00 0.00 0.59 -0.01 0.00 0.00 175.52 176.29 1rzn n ASN 48 N -3.48 2.90 -2.21 0.00 4.13 -1.09 -4.98 115.26 110.54 1rzn n ASN 48 Ca 0.11 -2.04 -0.17 0.00 1.68 0.00 0.00 54.58 54.16 1rzn n ASN 48 Cb 0.88 -0.23 -0.02 0.00 -1.54 0.00 0.00 39.78 38.87 1rzn n ASN 48 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1rzn n GLN 49 N 0.41 -1.80 0.14 3.52 3.00 0.23 -4.87 117.38 118.00 1rzn n GLN 49 Ca 0.11 0.87 -0.23 0.00 -0.01 0.00 0.00 57.00 57.74 1rzn n GLN 49 Cb 0.43 -5.43 -0.15 0.00 0.00 0.00 0.00 30.24 25.09 1rzn n GLN 49 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.06 177.88 1rzn h ILE 50 N 0.00 1.33 -2.54 5.09 2.04 -1.35 -3.49 117.51 118.58 1rzn h ILE 50 Ca -0.39 -2.79 0.14 0.00 1.00 0.00 0.00 64.86 62.81 1rzn h ILE 50 Cb 1.26 3.02 -0.08 0.00 -0.74 0.00 0.00 36.82 40.27 1rzn h ILE 50 CO 0.49 0.83 0.40 0.00 0.00 0.00 0.00 178.15 179.87 1rzn s ALA 51 N -2.61 -1.55 -0.36 1.87 0.00 -1.16 -4.78 121.76 113.16 1rzn s ALA 51 Ca -0.08 0.09 0.00 0.00 0.00 0.00 0.00 51.96 51.97 1rzn s ALA 51 Cb 0.05 0.69 0.14 0.00 0.00 0.00 0.00 23.12 24.00 1rzn s ALA 51 CO 0.93 -1.00 0.21 0.08 0.00 0.00 0.00 175.76 175.98 1rzn s VAL 52 N -3.46 0.24 -0.07 0.00 1.01 -0.96 -2.45 120.40 114.69 1rzn s VAL 52 Ca 0.11 -1.78 0.01 0.00 0.00 0.00 0.00 61.98 60.32 1rzn s VAL 52 Cb -0.03 -1.18 0.02 0.00 0.00 0.00 0.00 36.38 35.19 1rzn s VAL 52 CO 0.02 -0.98 -0.09 -0.63 0.00 0.00 0.00 175.10 173.42 1rzn s ILE 53 N 1.01 0.95 0.14 2.22 1.01 -1.26 -0.90 121.20 124.37 1rzn s ILE 53 Ca 0.18 -0.33 0.07 0.00 0.00 0.00 0.00 60.65 60.58 1rzn s ILE 53 Cb -0.23 -0.92 -0.04 0.00 0.01 0.00 0.00 42.46 41.28 1rzn s ILE 53 CO 0.01 0.33 -0.17 -1.00 0.00 0.00 0.00 174.94 174.11 1rzn s HIS 54 N 1.05 1.65 -0.20 3.97 3.76 -0.83 -4.85 115.29 119.84 1rzn s HIS 54 Ca -0.08 -0.49 -0.19 0.00 -0.15 0.00 0.00 55.06 54.15 1rzn s HIS 54 Cb -0.14 -0.85 -0.03 0.00 1.11 0.00 0.00 32.58 32.67 1rzn s HIS 54 CO -0.01 0.24 0.52 0.21 -0.85 0.00 0.00 174.74 174.86 1rzn s LYS 55 N -2.62 4.20 0.31 1.40 2.20 -1.26 -2.45 119.74 121.51 1rzn s LYS 55 Ca 0.12 0.42 -0.29 0.00 -0.36 0.00 0.00 55.97 55.86 1rzn s LYS 55 Cb -0.06 -3.56 -0.10 0.00 -1.51 0.00 0.00 37.83 32.60 1rzn s LYS 55 CO 0.05 -0.15 1.31 0.15 -0.36 0.00 0.00 175.35 176.35 1rzn s LYS 56 N 1.62 4.36 0.84 4.03 1.02 0.13 -5.00 119.74 126.74 1rzn s LYS 56 Ca 0.24 2.19 -0.11 0.00 0.02 0.00 0.00 55.97 58.32 1rzn s LYS 56 Cb -0.15 -3.09 0.10 0.00 -0.52 0.00 0.00 37.83 34.16 1rzn s LYS 56 CO 0.10 -0.19 1.09 -1.25 -0.92 0.00 0.00 175.35 174.17 1rzn s PRO 57 N -1.53 1.71 0.21 -1.68 0.04 -1.26 -4.94 135.00 127.55 1rzn s PRO 57 Ca 0.50 0.99 -0.31 0.00 0.04 0.00 0.00 61.00 62.23 1rzn s PRO 57 Cb -0.39 -1.85 -0.10 0.00 0.04 0.00 0.00 34.50 32.20 1rzn s PRO 57 CO 0.50 -1.97 1.50 0.99 0.04 0.00 0.00 177.00 178.06 1rzn s THR 58 N -2.92 2.64 0.44 1.26 2.01 -1.26 -4.98 115.64 112.83 1rzn s THR 58 Ca 0.62 0.50 -0.25 0.00 0.31 0.00 0.00 61.69 62.87 1rzn s THR 58 Cb -0.18 -3.32 -0.08 0.00 0.01 0.00 0.00 72.50 68.94 1rzn s THR 58 CO 0.57 0.06 1.29 -2.84 -0.69 0.00 0.00 174.62 173.00 1rzn s PRO 59 N 0.34 3.78 -0.10 4.92 0.02 -1.26 -4.99 135.00 137.71 1rzn s PRO 59 Ca 0.64 2.09 0.00 0.00 0.02 0.00 0.00 61.00 63.76 1rzn s PRO 59 Cb -0.43 -2.60 0.02 0.00 0.02 0.00 0.00 34.50 31.51 1rzn s PRO 59 CO 0.38 -0.63 -0.09 0.14 -0.33 0.00 0.00 177.00 176.47 1rzn s VAL 60 N -1.33 1.05 -0.04 3.83 -7.23 -1.26 -2.39 120.40 113.03 1rzn s VAL 60 Ca 0.61 -0.34 -0.28 0.00 -1.81 0.00 0.00 61.98 60.16 1rzn s VAL 60 Cb -0.37 -1.04 -0.03 0.00 0.56 0.00 0.00 36.38 35.51 1rzn s VAL 60 CO 0.46 0.36 0.90 -1.58 -0.31 0.00 0.00 175.10 174.93 1rzn s GLN 61 N 1.42 4.50 -0.46 4.82 0.74 -0.10 -4.94 119.66 125.63 1rzn s GLN 61 Ca -0.00 1.24 -0.23 0.00 0.05 0.00 0.00 55.36 56.42 1rzn s GLN 61 Cb -0.13 -3.47 0.03 0.00 1.10 0.00 0.00 33.01 30.53 1rzn s GLN 61 CO -0.05 -0.06 0.77 0.42 -0.55 0.00 0.00 175.29 175.82 1rzn s ILE 62 N 1.12 4.66 0.08 -2.34 -1.09 -1.26 -0.96 121.20 121.40 1rzn s ILE 62 Ca 0.47 0.32 -0.26 0.00 -2.23 0.00 0.00 60.65 58.95 1rzn s ILE 62 Cb -0.20 -4.33 0.08 0.00 -1.58 0.00 0.00 42.46 36.44 1rzn s ILE 62 CO 0.23 -0.74 0.86 0.00 -1.23 0.00 0.00 174.94 174.06 1rzn s ALA 78 N 3.26 -1.71 0.06 9.38 0.00 -1.26 -5.24 121.76 126.25 1rzn s ALA 78 Ca 0.28 0.61 0.08 0.00 0.00 0.00 0.00 51.96 52.94 1rzn s ALA 78 Cb -0.13 0.57 -0.03 0.00 0.00 0.00 0.00 23.12 23.53 1rzn s ALA 78 CO 0.21 -0.82 -0.23 0.71 0.00 0.00 0.00 175.76 175.64 1rzn s TYR 79 N -3.29 1.96 -0.15 0.00 2.02 -0.14 -5.14 117.35 112.61 1rzn s TYR 79 Ca 0.07 -0.39 -0.29 0.00 -0.37 0.00 0.00 57.07 56.09 1rzn s TYR 79 Cb -0.01 -1.14 -0.03 0.00 -0.40 0.00 0.00 41.96 40.38 1rzn s TYR 79 CO -0.05 0.14 1.43 -0.06 -1.57 0.00 0.00 175.55 175.44 1rzn s PHE 80 N -0.89 2.47 0.44 2.71 0.08 -1.26 -0.92 117.98 120.60 1rzn s PHE 80 Ca 0.09 0.68 0.08 0.00 0.12 0.00 0.00 56.93 57.90 1rzn s PHE 80 Cb -0.09 -3.73 0.02 0.00 -0.57 0.00 0.00 43.02 38.64 1rzn s PHE 80 CO 0.03 -2.52 0.60 0.15 -0.10 0.00 0.00 175.22 173.37 1rzn s LYS 81 N 3.89 2.76 -0.35 0.44 1.02 -1.00 -4.92 119.74 121.57 1rzn s LYS 81 Ca 0.63 -1.30 -0.17 0.00 0.02 0.00 0.00 55.97 55.16 1rzn s LYS 81 Cb -0.25 -2.74 -0.01 0.00 -0.52 0.00 0.00 37.83 34.31 1rzn s LYS 81 CO 0.22 -0.35 0.44 -1.14 -0.92 0.00 0.00 175.35 173.60 1rzn s GLN 82 N -4.39 3.56 0.49 1.68 2.00 -1.26 -4.43 119.66 117.31 1rzn s GLN 82 Ca 0.56 -0.32 -0.23 0.00 -2.00 0.00 0.00 55.36 53.36 1rzn s GLN 82 Cb -0.09 -3.82 -0.06 0.00 0.80 0.00 0.00 33.01 29.83 1rzn s GLN 82 CO 0.34 -0.60 1.30 0.45 -0.50 0.00 0.00 175.29 176.27 1rzn s SER 83 N 1.75 5.74 0.00 6.67 0.15 -1.26 -4.93 113.70 121.82 1rzn s SER 83 Ca 0.15 2.62 0.19 0.00 0.70 0.00 0.00 55.95 59.61 1rzn s SER 83 Cb -0.16 -2.63 0.57 0.00 -1.71 0.00 0.00 66.02 62.09 1rzn s SER 83 CO 0.13 -1.24 1.44 -1.54 1.20 0.00 0.00 173.24 173.23 1rzn n SER 84 N -0.63 2.20 -4.68 5.45 3.41 -1.26 -4.78 113.62 113.33 1rzn n SER 84 Ca 0.08 -1.86 -0.30 0.00 -0.26 0.00 0.00 58.87 56.53 1rzn n SER 84 Cb 0.45 -0.19 -0.09 0.00 -0.26 0.00 0.00 64.21 64.12 1rzn n SER 84 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 1rzn s THR 85 N -1.61 1.52 0.78 6.66 -4.23 -1.26 -4.28 115.64 113.22 1rzn s THR 85 Ca 0.32 -2.00 -0.13 0.00 -1.18 0.00 0.00 61.69 58.70 1rzn s THR 85 Cb 0.18 -2.55 0.07 0.00 1.34 0.00 0.00 72.50 71.54 1rzn s THR 85 CO 0.25 0.00 1.19 0.42 -0.54 0.00 0.00 174.62 175.93 1rzn s THR 86 N -2.82 2.29 -0.42 3.99 -4.23 -1.26 -4.72 115.64 108.47 1rzn s THR 86 Ca 0.20 0.13 0.23 0.00 -1.18 0.00 0.00 61.69 61.07 1rzn s THR 86 Cb 0.05 -2.55 0.20 0.00 1.34 0.00 0.00 72.50 71.54 1rzn s THR 86 CO 0.10 -0.09 1.42 0.44 -0.54 0.00 0.00 174.62 175.94 1rzn h ASP 87 N -0.77 0.00 -3.25 3.99 3.32 -1.93 -3.47 116.42 114.32 1rzn h ASP 87 Ca -0.46 -0.02 -0.66 0.00 0.02 0.00 0.00 57.03 55.91 1rzn h ASP 87 Cb 1.29 0.00 -0.34 0.00 0.22 0.00 0.00 39.33 40.50 1rzn h ASP 87 CO 0.48 0.01 -0.87 -0.31 -1.72 0.00 0.00 179.24 176.83 1rzn s TYR 88 N -3.24 2.52 0.27 4.55 2.02 -0.89 0.18 117.35 122.75 1rzn s TYR 88 Ca 0.05 -1.19 -0.10 0.00 -0.37 0.00 0.00 57.07 55.46 1rzn s TYR 88 Cb 0.08 -1.71 -0.00 0.00 -0.40 0.00 0.00 41.96 39.92 1rzn s TYR 88 CO 0.71 -0.53 0.46 0.54 -1.57 0.00 0.00 175.55 175.15 1rzn s ASN 89 N 0.70 0.10 0.00 2.29 4.22 -1.03 -0.08 114.94 121.14 1rzn s ASN 89 Ca -0.10 -1.07 0.00 0.00 -2.14 0.00 0.00 52.86 49.55 1rzn s ASN 89 Cb -0.16 0.59 0.00 0.00 1.28 0.00 0.00 41.25 42.96 1rzn s ASN 89 CO 0.01 -1.17 0.00 0.61 -2.04 0.00 0.00 177.10 174.52 1rzn n GLY 90 N -0.41 -0.52 3.05 0.45 0.00 0.12 -1.97 105.19 105.91 1rzn n GLY 90 Ca -0.01 -0.86 -0.20 0.00 0.00 0.00 0.00 46.02 44.95 1rzn n GLY 90 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1rzn s ILE 91 N -3.53 0.88 -0.09 -0.61 2.07 -0.08 -0.66 121.20 119.17 1rzn s ILE 91 Ca 0.00 -0.47 -0.03 0.00 -1.41 0.00 0.00 60.65 58.74 1rzn s ILE 91 Cb 0.00 -0.74 0.05 0.00 0.13 0.00 0.00 42.46 41.90 1rzn s ILE 91 CO 0.00 0.25 0.15 -0.47 -1.91 0.00 0.00 174.94 172.96 1rzn s TYR 92 N -0.22 -0.13 -1.35 3.50 5.04 -0.97 -2.27 117.35 120.95 1rzn s TYR 92 Ca 0.04 0.47 -0.03 0.00 -2.44 0.00 0.00 57.07 55.11 1rzn s TYR 92 Cb -0.05 -0.33 0.02 0.00 0.35 0.00 0.00 41.96 41.95 1rzn s TYR 92 CO -0.00 -0.31 0.74 1.63 -1.34 0.00 0.00 175.55 176.27 1rzn n LYS 93 N 5.32 -4.96 0.00 4.97 5.02 -1.26 -1.37 118.16 125.88 1rzn n LYS 93 Ca -0.05 0.61 0.00 0.00 -2.02 0.00 0.00 58.31 56.85 1rzn n LYS 93 Cb 0.50 -5.20 0.00 0.00 -0.02 0.00 0.00 35.03 30.30 1rzn n LYS 93 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1rzn n GLY 94 N -1.62 2.95 3.90 0.72 0.00 -1.26 -5.01 105.19 104.87 1rzn n GLY 94 Ca -0.24 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.46 1rzn n GLY 94 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1rzn s ARG 95 N -0.20 3.52 -0.05 1.61 1.81 -0.47 -5.05 118.95 120.11 1rzn s ARG 95 Ca 0.00 -0.25 -0.27 0.00 -1.72 0.00 0.00 55.73 53.49 1rzn s ARG 95 Cb 0.00 -3.01 -0.03 0.00 -0.45 0.00 0.00 34.95 31.47 1rzn s ARG 95 CO 0.00 0.59 0.89 -0.47 -0.68 0.00 0.00 175.30 175.63 1rzn s TYR 96 N -1.47 3.59 -0.06 -0.53 5.04 -1.26 -2.28 117.35 120.37 1rzn s TYR 96 Ca 0.34 1.50 0.06 0.00 -2.44 0.00 0.00 57.07 56.53 1rzn s TYR 96 Cb -0.13 -3.03 -0.01 0.00 0.35 0.00 0.00 41.96 39.15 1rzn s TYR 96 CO 0.23 -0.04 -0.25 0.42 -1.34 0.00 0.00 175.55 174.57 1rzn s ILE 97 N 1.22 2.05 -0.09 3.14 -1.09 0.17 -1.28 121.20 125.32 1rzn s ILE 97 Ca 0.46 -1.06 -0.04 0.00 -2.23 0.00 0.00 60.65 57.78 1rzn s ILE 97 Cb -0.19 -1.74 0.05 0.00 -1.58 0.00 0.00 42.46 39.00 1rzn s ILE 97 CO 0.22 0.57 0.20 -0.62 -1.23 0.00 0.00 174.94 174.07 1rzn s ASP 98 N -0.11 0.16 0.24 3.58 -1.08 -0.62 0.11 116.67 118.96 1rzn s ASP 98 Ca -0.05 0.42 -0.14 0.00 -0.52 0.00 0.00 52.55 52.25 1rzn s ASP 98 Cb -0.14 0.36 0.00 0.00 -1.46 0.00 0.00 42.92 41.68 1rzn s ASP 98 CO 0.04 -0.19 0.51 0.72 0.52 0.00 0.00 175.17 176.77 1rzn s PHE 99 N 1.72 0.25 0.32 -5.34 -0.71 0.88 -2.63 117.98 112.47 1rzn s PHE 99 Ca -0.04 -0.62 0.09 0.00 -1.04 0.00 0.00 56.93 55.31 1rzn s PHE 99 Cb -0.11 0.27 -0.06 0.00 -1.21 0.00 0.00 43.02 41.90 1rzn s PHE 99 CO -0.07 -1.01 -0.08 -2.00 -1.34 0.00 0.00 175.22 170.71 1rzn s GLU 100 N -3.99 1.73 -0.10 1.99 2.56 -1.18 -2.10 118.70 117.60 1rzn s GLU 100 Ca 0.20 -1.89 -0.05 0.00 0.00 0.00 0.00 54.97 53.23 1rzn s GLU 100 Cb -0.01 -1.52 0.05 0.00 2.00 0.00 0.00 34.13 34.64 1rzn s GLU 100 CO 0.07 0.11 0.24 0.00 -0.56 0.00 0.00 175.26 175.12 1rzn s ALA 101 N -2.74 -0.51 0.00 6.30 0.00 -1.26 -0.56 121.76 122.99 1rzn s ALA 101 Ca 0.31 0.94 -0.04 0.00 0.00 0.00 0.00 51.96 53.17 1rzn s ALA 101 Cb 0.03 -0.69 -0.00 0.00 0.00 0.00 0.00 23.12 22.45 1rzn s ALA 101 CO 0.15 -0.29 0.08 0.15 0.00 0.00 0.00 175.76 175.85 1rzn s LYS 102 N 1.50 0.38 0.14 0.00 -0.14 -0.74 -4.99 119.74 115.88 1rzn s LYS 102 Ca -0.07 -0.39 0.05 0.00 -1.36 0.00 0.00 55.97 54.21 1rzn s LYS 102 Cb -0.11 0.15 -0.04 0.00 -1.68 0.00 0.00 37.83 36.15 1rzn s LYS 102 CO -0.08 -0.08 -0.12 -1.83 -0.76 0.00 0.00 175.35 172.48 1rzn s GLU 103 N -1.20 1.05 0.04 1.68 -1.05 -1.26 -1.12 118.70 116.85 1rzn s GLU 103 Ca -0.13 -1.35 -0.02 0.00 -0.15 0.00 0.00 54.97 53.32 1rzn s GLU 103 Cb -0.07 -0.78 -0.02 0.00 -0.44 0.00 0.00 34.13 32.81 1rzn s GLU 103 CO 0.01 0.13 0.02 -0.08 0.95 0.00 0.00 175.26 176.28 1rzn s THR 104 N -2.70 0.16 -2.63 1.83 -1.32 -0.45 -4.96 115.64 105.57 1rzn s THR 104 Ca 0.13 -1.32 0.27 0.00 -1.21 0.00 0.00 61.69 59.55 1rzn s THR 104 Cb -0.01 -0.98 0.45 0.00 -1.51 0.00 0.00 72.50 70.44 1rzn s THR 104 CO 0.02 -0.73 1.61 0.29 -2.21 0.00 0.00 174.62 173.60 1rzn n LYS 105 N 0.70 1.85 -1.72 7.08 4.76 -1.26 -4.45 118.16 125.12 1rzn n LYS 105 Ca -0.18 -1.23 -0.43 0.00 -2.87 0.00 0.00 58.31 53.60 1rzn n LYS 105 Cb 0.59 -1.47 -0.01 0.00 -1.84 0.00 0.00 35.03 32.29 1rzn n LYS 105 CO 0.00 0.00 0.00 -1.71 -1.37 0.00 0.00 177.40 174.32 1rzn n ASN 106 N 0.50 3.37 0.01 4.39 2.85 -1.26 -4.87 115.26 120.25 1rzn n ASN 106 Ca 0.18 1.17 0.12 0.00 -0.11 0.00 0.00 54.58 55.94 1rzn n ASN 106 Cb 0.42 -1.54 0.28 0.00 1.24 0.00 0.00 39.78 40.19 1rzn n ASN 106 CO 0.00 0.00 0.00 0.29 -2.11 0.00 0.00 177.26 175.44 1rzn n LYS 107 N 1.61 0.06 -0.06 1.20 4.76 -1.26 -4.45 118.16 120.03 1rzn n LYS 107 Ca 0.08 0.02 -0.08 0.00 -2.87 0.00 0.00 58.31 55.46 1rzn n LYS 107 Cb 0.35 -1.54 -0.06 0.00 -1.84 0.00 0.00 35.03 31.95 1rzn n LYS 107 CO 0.00 0.00 0.00 2.41 -1.37 0.00 0.00 177.40 178.44 1rzn n THR 108 N -1.63 0.66 -3.43 -0.18 -1.04 -1.26 -4.95 114.28 102.46 1rzn n THR 108 Ca 0.05 -0.28 -0.12 0.00 -2.04 0.00 0.00 64.05 61.66 1rzn n THR 108 Cb 0.36 -0.89 -0.02 0.00 -1.82 0.00 0.00 70.33 67.96 1rzn n THR 108 CO 0.00 0.00 0.00 -0.94 -0.64 0.00 0.00 175.07 173.49 1rzn s SER 109 N -4.98 -0.57 -0.33 8.00 1.04 -1.26 -2.25 113.70 113.35 1rzn s SER 109 Ca -0.14 0.02 -0.12 0.00 0.48 0.00 0.00 55.95 56.19 1rzn s SER 109 Cb 0.04 0.60 -0.02 0.00 0.10 0.00 0.00 66.02 66.73 1rzn s SER 109 CO 0.29 -0.96 0.22 0.12 0.98 0.00 0.00 173.24 173.89 1rzn s PHE 110 N -3.66 3.22 0.12 5.02 5.36 0.14 -4.64 117.98 123.55 1rzn s PHE 110 Ca 0.01 -0.21 -0.31 0.00 -0.96 0.00 0.00 56.93 55.46 1rzn s PHE 110 Cb -0.01 -2.45 -0.10 0.00 -0.34 0.00 0.00 43.02 40.13 1rzn s PHE 110 CO -0.12 -0.34 1.67 -2.14 -1.46 0.00 0.00 175.22 172.82 1rzn s PRO 111 N 1.71 4.18 0.44 10.12 0.02 -1.26 -1.44 135.00 148.78 1rzn s PRO 111 Ca 0.06 2.42 0.20 0.00 0.02 0.00 0.00 61.00 63.71 1rzn s PRO 111 Cb -0.17 -3.41 1.04 0.00 0.02 0.00 0.00 34.50 31.97 1rzn s PRO 111 CO 0.10 -0.72 1.92 -0.07 -0.33 0.00 0.00 177.00 177.90 1rzn h LEU 112 N 7.87 0.00 0.00 -5.54 3.38 -0.24 -2.93 115.31 117.85 1rzn h LEU 112 Ca -0.43 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.54 1rzn h LEU 112 Cb 1.21 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.96 1rzn h LEU 112 CO 0.93 0.25 0.00 0.00 0.09 0.00 0.00 178.44 179.71 1rzn n GLN 113 N -3.79 0.07 0.31 1.13 10.64 -1.26 -1.47 117.38 123.01 1rzn n GLN 113 Ca -0.01 0.19 0.19 0.00 -1.83 0.00 0.00 57.00 55.53 1rzn n GLN 113 Cb 0.35 -1.50 1.02 0.00 -0.86 0.00 0.00 30.24 29.25 1rzn n GLN 113 CO 0.00 0.00 0.00 -0.91 -1.83 0.00 0.00 177.06 174.32 1rzn h ASN 114 N 0.00 0.00 -3.20 2.61 2.35 -1.92 -3.42 115.58 112.01 1rzn h ASN 114 Ca 0.00 0.00 -0.64 0.00 -0.55 0.00 0.00 56.30 55.11 1rzn h ASN 114 Cb 0.02 0.00 -0.10 0.00 0.05 0.00 0.00 38.32 38.30 1rzn h ASN 114 CO 0.00 0.02 -0.61 -0.36 -1.65 0.00 0.00 177.43 174.83 1rzn s PHE 115 N -4.27 3.18 0.29 1.19 0.08 -0.54 -5.01 117.98 112.90 1rzn s PHE 115 Ca -0.04 0.08 0.10 0.00 0.12 0.00 0.00 56.93 57.19 1rzn s PHE 115 Cb 0.13 -1.63 -0.05 0.00 -0.57 0.00 0.00 43.02 40.90 1rzn s PHE 115 CO 0.49 0.52 -0.07 -3.38 -0.10 0.00 0.00 175.22 172.68 1rzn s HIS 116 N -1.34 2.51 0.53 0.36 -3.43 -1.26 -5.01 115.29 107.65 1rzn s HIS 116 Ca 0.28 -0.33 0.20 0.00 -0.80 0.00 0.00 55.06 54.41 1rzn s HIS 116 Cb -0.12 -1.22 1.37 0.00 -1.43 0.00 0.00 32.58 31.18 1rzn s HIS 116 CO 0.20 0.61 2.12 -0.44 -2.00 0.00 0.00 174.74 175.23 1rzn h ASP 117 N 2.00 0.00 -0.57 7.38 3.32 -1.99 -0.89 116.42 125.66 1rzn h ASP 117 Ca -0.42 0.00 -0.10 0.00 0.02 0.00 0.00 57.03 56.53 1rzn h ASP 117 Cb 1.25 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.78 1rzn h ASP 117 CO 0.62 0.00 -0.03 0.45 -1.72 0.00 0.00 179.24 178.57 1rzn h HIS 118 N 0.00 1.13 -0.70 4.55 3.86 -1.92 0.37 115.15 122.44 1rzn h HIS 118 Ca 0.07 -0.21 0.08 0.00 -1.16 0.00 0.00 60.37 59.15 1rzn h HIS 118 Cb 0.28 -0.29 -0.06 0.00 1.06 0.00 0.00 27.41 28.40 1rzn h HIS 118 CO 0.00 1.02 0.38 1.96 0.86 0.00 0.00 177.93 182.15 1rzn h GLN 119 N 0.91 0.65 -0.03 2.45 4.20 -1.35 0.15 115.11 122.11 1rzn h GLN 119 Ca 0.16 -0.04 -0.02 0.00 0.06 0.00 0.00 58.65 58.81 1rzn h GLN 119 Cb 0.59 -0.15 0.00 0.00 0.30 0.00 0.00 27.48 28.22 1rzn h GLN 119 CO 0.04 0.43 -0.05 0.82 -0.67 0.00 0.00 178.83 179.39 1rzn h ILE 120 N 0.67 1.44 -0.78 2.54 1.08 -1.34 0.61 117.51 121.73 1rzn h ILE 120 Ca 0.33 -1.38 0.06 0.00 -0.39 0.00 0.00 64.86 63.48 1rzn h ILE 120 Cb 0.27 2.31 -0.06 0.00 -3.07 0.00 0.00 36.82 36.27 1rzn h ILE 120 CO -0.22 0.37 0.47 -0.08 -0.69 0.00 0.00 178.15 177.99 1rzn h GLU 121 N -0.46 0.82 -0.50 2.37 4.57 -0.59 0.55 114.58 121.34 1rzn h GLU 121 Ca 0.00 -0.05 0.04 0.00 -1.18 0.00 0.00 59.36 58.17 1rzn h GLU 121 Cb 0.63 -0.19 -0.04 0.00 -0.16 0.00 0.00 28.75 28.99 1rzn h GLU 121 CO 0.01 0.54 0.26 1.25 -1.18 0.00 0.00 179.01 179.89 1rzn h HIS 122 N 0.85 0.47 -0.50 0.92 2.76 -0.80 -1.63 115.15 117.21 1rzn h HIS 122 Ca 0.35 0.02 -0.02 0.00 -2.20 0.00 0.00 60.37 58.51 1rzn h HIS 122 Cb 0.19 -0.14 -0.02 0.00 1.55 0.00 0.00 27.41 28.99 1rzn h HIS 122 CO -0.05 0.23 0.21 0.52 -1.30 0.00 0.00 177.93 177.54 1rzn h MET 123 N 0.50 0.72 -0.04 5.26 2.86 -0.06 0.12 114.93 124.28 1rzn h MET 123 Ca 0.22 -0.10 -0.18 0.00 -2.06 0.00 0.00 59.70 57.58 1rzn h MET 123 Cb 0.12 -0.13 -0.01 0.00 0.06 0.00 0.00 31.60 31.64 1rzn h MET 123 CO -0.15 0.58 -0.77 0.87 1.06 0.00 0.00 176.91 178.50 1rzn h LYS 124 N 0.71 0.30 -0.60 1.72 1.57 -0.30 -1.72 116.57 118.25 1rzn h LYS 124 Ca 0.17 -0.27 -0.05 0.00 -1.87 0.00 0.00 60.65 58.63 1rzn h LYS 124 Cb 0.13 0.06 -0.03 0.00 0.08 0.00 0.00 32.23 32.48 1rzn h LYS 124 CO -0.02 0.94 0.17 1.96 -0.57 0.00 0.00 179.45 181.93 1rzn h GLN 125 N 0.20 0.92 -0.52 3.15 1.08 -0.38 -2.12 115.11 117.44 1rzn h GLN 125 Ca -0.03 -0.18 -0.05 0.00 -1.45 0.00 0.00 58.65 56.93 1rzn h GLN 125 Cb 1.36 -0.14 -0.02 0.00 -0.05 0.00 0.00 27.48 28.62 1rzn h GLN 125 CO 0.13 0.80 0.13 0.28 -0.95 0.00 0.00 178.83 179.22 1rzn h VAL 126 N 0.89 1.24 -0.62 -0.54 2.07 -0.47 -2.53 116.25 116.29 1rzn h VAL 126 Ca 0.20 -0.85 -0.04 0.00 0.82 0.00 0.00 66.70 66.82 1rzn h VAL 126 Cb 0.28 0.80 -0.03 0.00 -1.52 0.00 0.00 31.29 30.83 1rzn h VAL 126 CO -0.01 0.31 0.23 0.11 0.02 0.00 0.00 177.57 178.23 1rzn h LYS 127 N 0.72 0.92 0.00 1.57 1.79 -1.16 -1.83 116.57 118.59 1rzn h LYS 127 Ca 0.16 -0.16 -0.03 0.00 -2.18 0.00 0.00 60.65 58.44 1rzn h LYS 127 Cb 0.33 -0.15 -0.00 0.00 -1.58 0.00 0.00 32.23 30.82 1rzn h LYS 127 CO 0.00 0.77 -0.14 0.00 -1.08 0.00 0.00 179.45 179.00 1rzn h ALA 128 N 1.34 1.23 -0.33 3.86 0.00 -1.14 -1.29 119.26 122.93 1rzn h ALA 128 Ca 0.21 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.99 1rzn h ALA 128 Cb 0.21 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.98 1rzn h ALA 128 CO -0.02 0.18 0.00 1.04 0.00 0.00 0.00 179.25 180.45 1rzn n GLN 129 N -3.59 1.88 -3.28 0.00 1.13 -0.74 -4.94 117.38 107.83 1rzn n GLN 129 Ca -0.01 -1.23 -0.17 0.00 -1.94 0.00 0.00 57.00 53.64 1rzn n GLN 129 Cb 0.28 -1.32 0.06 0.00 0.11 0.00 0.00 30.24 29.36 1rzn n GLN 129 CO 0.00 0.00 0.00 -3.47 -1.44 0.00 0.00 177.06 172.15 1rzn n ASP 130 N 0.46 -4.86 -4.92 1.08 2.03 -0.49 -5.03 116.55 104.82 1rzn n ASP 130 Ca 0.11 -0.41 -0.26 0.00 0.52 0.00 0.00 54.79 54.75 1rzn n ASP 130 Cb 0.32 -3.86 0.02 0.00 -0.72 0.00 0.00 41.12 36.88 1rzn n ASP 130 CO 0.00 0.00 0.00 -0.83 -1.92 0.00 0.00 177.20 174.45 1rzn s GLY 131 N -3.33 1.57 -0.40 0.27 0.00 -0.87 -4.93 107.32 99.62 1rzn s GLY 131 Ca 0.38 -0.68 -0.20 0.00 0.00 0.00 0.00 44.72 44.22 1rzn s GLY 131 CO 0.54 -0.45 0.58 -0.42 0.00 0.00 0.00 173.10 173.35 1rzn s ILE 132 N -2.85 4.92 -0.01 0.90 1.01 -0.40 -4.71 121.20 120.05 1rzn s ILE 132 Ca 0.51 0.20 -0.01 0.00 0.00 0.00 0.00 60.65 61.35 1rzn s ILE 132 Cb -0.10 -4.10 0.01 0.00 0.01 0.00 0.00 42.46 38.28 1rzn s ILE 132 CO 0.44 -0.42 0.03 0.00 0.00 0.00 0.00 174.94 174.99 1rzn s PHE 134 N 0.40 0.07 0.16 0.00 -0.71 -1.08 -1.97 117.98 114.84 1rzn s PHE 134 Ca -0.03 -0.47 0.07 0.00 -1.04 0.00 0.00 56.93 55.46 1rzn s PHE 134 Cb -0.05 0.70 -0.04 0.00 -1.21 0.00 0.00 43.02 42.42 1rzn s PHE 134 CO -0.01 -0.92 -0.14 0.14 -1.34 0.00 0.00 175.22 172.94 1rzn s VAL 135 N -2.19 1.49 -0.19 -2.49 -7.23 -0.76 -3.10 120.40 105.93 1rzn s VAL 135 Ca 0.22 -1.95 -0.01 0.00 -1.81 0.00 0.00 61.98 58.43 1rzn s VAL 135 Cb -0.03 -1.78 0.00 0.00 0.56 0.00 0.00 36.38 35.14 1rzn s VAL 135 CO 0.05 -0.51 -0.12 -0.63 -0.31 0.00 0.00 175.10 173.59 1rzn s ILE 136 N -2.56 2.84 -0.16 -0.62 1.01 0.28 -0.87 121.20 121.12 1rzn s ILE 136 Ca 0.15 -0.69 0.02 0.00 0.00 0.00 0.00 60.65 60.13 1rzn s ILE 136 Cb -0.03 -2.24 0.02 0.00 0.01 0.00 0.00 42.46 40.22 1rzn s ILE 136 CO 0.04 0.48 -0.20 -0.63 0.00 0.00 0.00 174.94 174.64 1rzn s ILE 137 N 1.18 1.99 -0.35 2.92 1.01 0.12 -1.79 121.20 126.28 1rzn s ILE 137 Ca 0.02 -0.91 -0.14 0.00 0.00 0.00 0.00 60.65 59.61 1rzn s ILE 137 Cb -0.14 -1.79 -0.01 0.00 0.01 0.00 0.00 42.46 40.53 1rzn s ILE 137 CO -0.04 0.53 0.32 -0.55 0.00 0.00 0.00 174.94 175.19 1rzn s SER 138 N 1.12 6.13 -0.13 3.58 0.15 -0.27 -0.21 113.70 124.06 1rzn s SER 138 Ca 0.00 -0.38 -0.29 0.00 0.70 0.00 0.00 55.95 55.98 1rzn s SER 138 Cb -0.14 -2.17 0.08 0.00 -1.71 0.00 0.00 66.02 62.08 1rzn s SER 138 CO -0.08 -0.32 0.75 0.00 1.20 0.00 0.00 173.24 174.78 1rzn s ALA 139 N 1.89 -1.80 -1.35 5.45 0.00 -0.47 -1.34 121.76 124.14 1rzn s ALA 139 Ca 0.09 1.56 -0.08 0.00 0.00 0.00 0.00 51.96 53.53 1rzn s ALA 139 Cb -0.17 -0.46 0.01 0.00 0.00 0.00 0.00 23.12 22.50 1rzn s ALA 139 CO 0.11 -0.35 1.16 1.19 0.00 0.00 0.00 175.76 177.88 1rzn n PHE 140 N 1.40 -2.81 -1.26 0.00 3.72 -1.26 -1.46 117.46 115.79 1rzn n PHE 140 Ca -0.16 1.01 -0.09 0.00 -0.05 0.00 0.00 57.45 58.15 1rzn n PHE 140 Cb 0.57 -5.01 -0.04 0.00 -0.94 0.00 0.00 39.48 34.06 1rzn n PHE 140 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 176.76 176.46 1rzn n ASP 141 N -3.02 -5.79 -4.20 4.37 8.00 -1.26 -4.94 116.55 109.70 1rzn n ASP 141 Ca -0.02 0.22 -0.26 0.00 0.71 0.00 0.00 54.79 55.44 1rzn n ASP 141 Cb 0.57 -4.09 -0.08 0.00 -0.02 0.00 0.00 41.12 37.50 1rzn n ASP 141 CO 0.00 0.00 0.00 -1.10 -0.39 0.00 0.00 177.20 175.71 1rzn s GLN 142 N -2.76 1.95 -0.04 -1.24 -0.21 -0.54 -5.16 119.66 111.66 1rzn s GLN 142 Ca 0.00 -2.19 0.01 0.00 0.02 0.00 0.00 55.36 53.20 1rzn s GLN 142 Cb 0.00 -0.73 0.02 0.00 1.00 0.00 0.00 33.01 33.31 1rzn s GLN 142 CO 0.00 -0.45 -0.04 0.08 -2.12 0.00 0.00 175.29 172.76 1rzn s VAL 143 N -3.17 0.52 0.00 1.09 1.01 -1.26 -1.36 120.40 117.22 1rzn s VAL 143 Ca 0.22 -0.11 0.07 0.00 0.00 0.00 0.00 61.98 62.16 1rzn s VAL 143 Cb 0.03 -0.55 -0.02 0.00 0.00 0.00 0.00 36.38 35.84 1rzn s VAL 143 CO 0.13 0.22 -0.21 -0.31 0.00 0.00 0.00 175.10 174.94 1rzn s TYR 144 N 0.96 1.85 -0.29 5.22 2.02 0.71 -1.27 117.35 126.54 1rzn s TYR 144 Ca -0.10 -0.36 -0.10 0.00 -0.37 0.00 0.00 57.07 56.14 1rzn s TYR 144 Cb -0.14 -1.16 -0.03 0.00 -0.40 0.00 0.00 41.96 40.22 1rzn s TYR 144 CO -0.00 0.00 0.17 0.12 -1.57 0.00 0.00 175.55 174.27 1rzn s PHE 145 N -0.57 3.19 -0.22 2.71 2.19 0.32 0.14 117.98 125.73 1rzn s PHE 145 Ca 0.08 -0.20 0.02 0.00 0.33 0.00 0.00 56.93 57.16 1rzn s PHE 145 Cb -0.08 -2.37 0.04 0.00 -1.31 0.00 0.00 43.02 39.30 1rzn s PHE 145 CO -0.00 -0.30 -0.15 -1.17 1.83 0.00 0.00 175.22 175.43 1rzn s LEU 146 N 1.69 2.82 0.65 6.12 2.96 -0.05 -0.46 118.68 132.41 1rzn s LEU 146 Ca 0.06 -1.00 -0.18 0.00 -0.22 0.00 0.00 54.13 52.79 1rzn s LEU 146 Cb -0.16 -1.53 -0.01 0.00 0.50 0.00 0.00 46.19 44.99 1rzn s LEU 146 CO 0.09 -0.10 1.26 -1.61 -1.32 0.00 0.00 176.35 174.67 1rzn s GLU 147 N 1.21 2.55 0.24 1.98 2.02 -1.26 -1.84 118.70 123.60 1rzn s GLU 147 Ca -0.02 1.95 -0.05 0.00 0.02 0.00 0.00 54.97 56.88 1rzn s GLU 147 Cb -0.16 -1.86 0.34 0.00 0.10 0.00 0.00 34.13 32.54 1rzn s GLU 147 CO -0.09 -1.57 1.85 0.00 0.02 0.00 0.00 175.26 175.47 1rzn h ALA 148 N 0.44 1.19 -0.75 5.21 0.00 -1.73 -1.41 119.26 122.21 1rzn h ALA 148 Ca -0.50 -0.01 0.14 0.00 0.00 0.00 0.00 54.91 54.55 1rzn h ALA 148 Cb 1.32 -0.23 -0.10 0.00 0.00 0.00 0.00 17.79 18.78 1rzn h ALA 148 CO 0.53 0.27 0.28 -0.44 0.00 0.00 0.00 179.25 179.89 1rzn h ASP 149 N 0.97 0.24 -0.20 0.00 3.32 -1.90 -0.68 116.42 118.18 1rzn h ASP 149 Ca 0.38 0.11 -0.21 0.00 0.02 0.00 0.00 57.03 57.33 1rzn h ASP 149 Cb 0.18 0.10 0.01 0.00 0.22 0.00 0.00 39.33 39.84 1rzn h ASP 149 CO -0.18 0.08 -0.70 0.11 -1.72 0.00 0.00 179.24 176.84 1rzn h LYS 150 N 0.42 0.83 0.00 3.56 1.79 -1.63 -1.73 116.57 119.81 1rzn h LYS 150 Ca 0.41 -0.62 -0.01 0.00 -2.18 0.00 0.00 60.65 58.25 1rzn h LYS 150 Cb 0.63 0.11 -0.00 0.00 -1.58 0.00 0.00 32.23 31.40 1rzn h LYS 150 CO -0.42 1.24 -0.04 1.25 -1.08 0.00 0.00 179.45 180.40 1rzn h LEU 151 N 0.59 0.00 -0.16 2.94 5.85 -0.72 -2.51 115.31 121.31 1rzn h LEU 151 Ca -0.03 0.00 -0.23 0.00 0.84 0.00 0.00 57.88 58.46 1rzn h LEU 151 Cb 1.32 0.00 0.01 0.00 0.37 0.00 0.00 40.66 42.37 1rzn h LEU 151 CO 0.15 0.04 -0.85 -0.26 -0.34 0.00 0.00 178.44 177.19 1rzn h PHE 152 N 0.00 0.97 -0.49 1.25 0.04 -0.24 -0.76 116.94 117.71 1rzn h PHE 152 Ca -0.00 -0.46 0.09 0.00 2.80 0.00 0.00 57.97 60.40 1rzn h PHE 152 Cb 0.10 -0.14 -0.10 0.00 2.20 0.00 0.00 35.95 38.01 1rzn h PHE 152 CO 0.00 1.28 -0.28 -0.92 -0.60 0.00 0.00 178.31 177.79 1rzn h TYR 153 N 0.46 -0.77 -0.40 -0.55 5.03 -1.03 0.39 116.97 120.10 1rzn h TYR 153 Ca -0.07 0.06 -0.10 0.00 2.58 0.00 0.00 58.73 61.20 1rzn h TYR 153 Cb 1.48 0.41 -0.01 0.00 1.55 0.00 0.00 36.73 40.15 1rzn h TYR 153 CO 0.08 -0.35 -0.15 0.74 -1.32 0.00 0.00 178.16 177.17 1rzn h PHE 154 N -0.17 0.91 -0.85 -3.82 0.04 -1.22 -2.96 116.94 108.87 1rzn h PHE 154 Ca 0.21 -0.21 0.00 0.00 2.80 0.00 0.00 57.97 60.78 1rzn h PHE 154 Cb 0.52 -0.22 -0.04 0.00 2.20 0.00 0.00 35.95 38.41 1rzn h PHE 154 CO -0.55 0.95 0.55 2.35 -0.60 0.00 0.00 178.31 181.01 1rzn h TRP 155 N 0.61 1.08 0.00 -0.55 2.91 -0.88 -3.04 115.95 116.08 1rzn h TRP 155 Ca 0.09 0.02 -0.09 0.00 1.13 0.00 0.00 58.89 60.05 1rzn h TRP 155 Cb 0.69 -0.36 -0.01 0.00 -0.51 0.00 0.00 29.16 28.96 1rzn h TRP 155 CO 0.05 0.69 -0.41 -0.44 -1.03 0.00 0.00 178.44 177.31 1rzn h ASP 156 N 1.15 0.00 -0.00 2.65 3.32 -0.86 -3.04 116.42 119.65 1rzn h ASP 156 Ca 0.31 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.36 1rzn h ASP 156 Cb -0.11 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.44 1rzn h ASP 156 CO -0.06 0.41 -0.07 -2.11 -1.72 0.00 0.00 179.24 175.68 1rzn n ARG 157 N -3.33 1.87 0.28 3.56 1.85 -1.13 -4.30 116.66 115.46 1rzn n ARG 157 Ca 0.01 -1.39 0.16 0.00 -1.00 0.00 0.00 57.85 55.63 1rzn n ARG 157 Cb 0.61 -1.47 0.81 0.00 -1.05 0.00 0.00 32.46 31.36 1rzn n ARG 157 CO 0.00 0.00 0.00 1.57 -0.01 0.00 0.00 177.63 179.19 1rzn h LYS 158 N 3.40 0.00 0.00 2.89 2.10 -1.42 -2.70 116.57 120.83 1rzn h LYS 158 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 1rzn h LYS 158 Cb 0.77 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.10 1rzn h LYS 158 CO 0.00 0.07 -0.72 0.93 -2.00 0.00 0.00 179.45 177.73 1rzn h GLU 159 N 0.00 0.00 -0.04 0.07 4.39 -1.81 -3.22 114.58 113.97 1rzn h GLU 159 Ca -0.00 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.69 1rzn h GLU 159 Cb 0.33 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 28.98 1rzn h GLU 159 CO 0.01 0.00 -0.01 0.87 -1.16 0.00 0.00 179.01 178.72 1rzn h LYS 160 N 0.00 0.08 0.00 2.33 1.57 -1.76 -3.39 116.57 115.39 1rzn h LYS 160 Ca 0.00 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.75 1rzn h LYS 160 Cb 0.93 -0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.24 1rzn h LYS 160 CO 0.00 0.44 -0.02 0.09 -0.57 0.00 0.00 179.45 179.39 1rzn n ASN 161 N -4.85 1.11 0.00 0.86 5.03 -1.26 -5.01 115.26 111.14 1rzn n ASN 161 Ca -0.07 -1.64 0.00 0.00 0.87 0.00 0.00 54.58 53.74 1rzn n ASN 161 Cb 0.22 -0.03 0.00 0.00 -1.02 0.00 0.00 39.78 38.95 1rzn n ASN 161 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1rzn n GLY 162 N -0.32 0.48 3.58 7.41 0.00 -1.22 -4.98 105.19 110.14 1rzn n GLY 162 Ca 0.01 -0.56 -0.32 0.00 0.00 0.00 0.00 46.02 45.15 1rzn n GLY 162 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1rzn s ARG 163 N -1.05 2.86 0.00 1.61 1.81 -1.24 -4.72 118.95 118.22 1rzn s ARG 163 Ca 0.00 -1.30 0.28 0.00 -1.72 0.00 0.00 55.73 52.98 1rzn s ARG 163 Cb 0.00 -5.30 1.00 0.00 -0.45 0.00 0.00 34.95 30.19 1rzn s ARG 163 CO 0.00 -3.52 1.72 1.63 -0.68 0.00 0.00 175.30 174.44 1rzn n LYS 164 N 8.36 0.80 -4.18 3.54 5.02 -1.26 -4.16 118.16 126.27 1rzn n LYS 164 Ca 0.45 -0.39 -0.19 0.00 -2.02 0.00 0.00 58.31 56.17 1rzn n LYS 164 Cb 0.47 -1.49 -0.12 0.00 -0.02 0.00 0.00 35.03 33.86 1rzn n LYS 164 CO 0.00 0.00 0.00 -1.12 -0.52 0.00 0.00 177.40 175.76 1rzn s SER 165 N -2.46 1.71 -0.37 4.39 0.01 -1.26 0.56 113.70 116.28 1rzn s SER 165 Ca 0.27 -0.61 -0.19 0.00 1.31 0.00 0.00 55.95 56.73 1rzn s SER 165 Cb 0.20 -0.06 0.00 0.00 0.21 0.00 0.00 66.02 66.37 1rzn s SER 165 CO 0.49 -0.07 0.55 -0.63 0.41 0.00 0.00 173.24 174.00 1rzn s ILE 166 N -1.25 4.97 0.71 1.44 1.01 -0.52 -4.86 121.20 122.69 1rzn s ILE 166 Ca -0.02 0.32 -0.16 0.00 0.00 0.00 0.00 60.65 60.80 1rzn s ILE 166 Cb -0.10 -4.03 0.03 0.00 0.01 0.00 0.00 42.46 38.37 1rzn s ILE 166 CO 0.02 -0.30 1.23 -0.13 0.00 0.00 0.00 174.94 175.76 1rzn s ARG 167 N 2.51 2.24 0.20 2.79 0.52 -1.26 0.27 118.95 126.21 1rzn s ARG 167 Ca 0.20 1.84 -0.18 0.00 -0.52 0.00 0.00 55.73 57.07 1rzn s ARG 167 Cb -0.15 -1.84 0.17 0.00 0.52 0.00 0.00 34.95 33.65 1rzn s ARG 167 CO 0.14 -1.78 1.60 -0.22 0.02 0.00 0.00 175.30 175.07 1rzn h LYS 168 N -0.08 -0.10 -0.44 3.54 3.64 -1.82 0.31 116.57 121.63 1rzn h LYS 168 Ca -0.48 0.01 -0.10 0.00 -1.27 0.00 0.00 60.65 58.81 1rzn h LYS 168 Cb 1.31 0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 33.13 1rzn h LYS 168 CO 0.50 -0.07 -0.12 0.38 -2.27 0.00 0.00 179.45 177.88 1rzn h ASP 169 N -0.11 0.78 -0.41 4.20 3.04 -1.92 0.61 116.42 122.61 1rzn h ASP 169 Ca 0.26 -0.24 -0.01 0.00 -3.24 0.00 0.00 57.03 53.80 1rzn h ASP 169 Cb 0.52 -0.21 -0.02 0.00 -1.04 0.00 0.00 39.33 38.58 1rzn h ASP 169 CO -0.65 0.92 0.22 -0.33 -2.04 0.00 0.00 179.24 177.35 1rzn h GLU 170 N 0.71 0.58 -0.57 4.15 5.08 -1.82 -1.50 114.58 121.22 1rzn h GLU 170 Ca 0.12 -0.07 -0.08 0.00 -1.00 0.00 0.00 59.36 58.32 1rzn h GLU 170 Cb 0.60 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.72 1rzn h GLU 170 CO 0.04 0.48 0.03 1.25 -1.00 0.00 0.00 179.01 179.81 1rzn h LEU 171 N 0.53 0.96 -1.16 1.33 5.85 -0.52 -2.46 115.31 119.83 1rzn h LEU 171 Ca 0.14 -0.29 -0.08 0.00 0.84 0.00 0.00 57.88 58.49 1rzn h LEU 171 Cb 0.08 -0.26 -0.01 0.00 0.37 0.00 0.00 40.66 40.84 1rzn h LEU 171 CO -0.02 1.01 -0.26 -0.33 -0.34 0.00 0.00 178.44 178.50 1rzn h GLU 172 N 0.87 0.25 -0.12 1.25 5.08 -0.60 -0.67 114.58 120.65 1rzn h GLU 172 Ca 0.17 -0.08 -0.15 0.00 -1.00 0.00 0.00 59.36 58.29 1rzn h GLU 172 Cb 0.50 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.72 1rzn h GLU 172 CO 0.02 0.50 -0.59 1.49 -1.00 0.00 0.00 179.01 179.44 1rzn h GLU 173 N 0.22 0.39 0.00 2.33 4.81 -1.10 -3.36 114.58 117.86 1rzn h GLU 173 Ca 0.03 -0.26 0.00 0.00 -0.13 0.00 0.00 59.36 59.01 1rzn h GLU 173 Cb 0.59 0.04 0.00 0.00 0.63 0.00 0.00 28.75 30.01 1rzn h GLU 173 CO 0.04 0.86 -1.43 0.25 -0.73 0.00 0.00 179.01 178.00 1rzn n THR 174 N -3.91 0.00 -4.42 0.32 -2.24 -0.94 -5.03 114.28 98.05 1rzn n THR 174 Ca -0.03 -0.29 -0.25 0.00 -2.27 0.00 0.00 64.05 61.21 1rzn n THR 174 Cb 0.62 0.42 -0.09 0.00 -2.10 0.00 0.00 70.33 69.17 1rzn n THR 174 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1rzn s ALA 175 N -2.98 3.11 -0.18 6.98 0.00 -0.29 -4.70 121.76 123.71 1rzn s ALA 175 Ca -0.02 -2.03 -0.03 0.00 0.00 0.00 0.00 51.96 49.88 1rzn s ALA 175 Cb 0.12 -0.23 -0.02 0.00 0.00 0.00 0.00 23.12 22.99 1rzn s ALA 175 CO 0.71 0.06 -0.05 0.71 0.00 0.00 0.00 175.76 177.19 1rzn s TYR 176 N -2.56 2.97 0.28 0.00 1.51 0.39 -4.81 117.35 115.12 1rzn s TYR 176 Ca 0.34 -0.58 -0.30 0.00 -1.01 0.00 0.00 57.07 55.52 1rzn s TYR 176 Cb 0.01 -2.01 -0.11 0.00 -0.11 0.00 0.00 41.96 39.74 1rzn s TYR 176 CO 0.18 -0.26 1.60 -2.14 -1.11 0.00 0.00 175.55 173.82 1rzn s PRO 177 N 0.82 4.13 -0.12 -1.71 0.02 -1.26 -0.52 135.00 136.36 1rzn s PRO 177 Ca -0.01 2.56 -0.07 0.00 0.02 0.00 0.00 61.00 63.50 1rzn s PRO 177 Cb -0.15 -3.04 -0.04 0.00 0.02 0.00 0.00 34.50 31.30 1rzn s PRO 177 CO 0.02 -0.64 0.12 0.42 -0.33 0.00 0.00 177.00 176.59 1rzn s ILE 178 N 0.18 5.36 -0.08 2.83 1.01 -0.40 -4.88 121.20 125.23 1rzn s ILE 178 Ca 0.65 0.16 -0.30 0.00 0.00 0.00 0.00 60.65 61.16 1rzn s ILE 178 Cb -0.48 -3.34 -0.02 0.00 0.01 0.00 0.00 42.46 38.64 1rzn s ILE 178 CO 0.45 0.61 1.02 -0.44 0.00 0.00 0.00 174.94 176.58 1rzn s SER 179 N -0.92 7.26 0.06 3.58 0.01 -1.26 -4.63 113.70 117.79 1rzn s SER 179 Ca 0.14 1.59 -0.10 0.00 1.31 0.00 0.00 55.95 58.89 1rzn s SER 179 Cb -0.12 -2.56 -0.06 0.00 0.21 0.00 0.00 66.02 63.50 1rzn s SER 179 CO 0.03 -0.42 0.38 -0.76 0.41 0.00 0.00 173.24 172.88 1rzn s LEU 180 N 1.79 4.36 0.00 2.44 1.43 -1.26 -2.35 118.68 125.10 1rzn s LEU 180 Ca 0.50 0.76 0.00 0.00 -1.03 0.00 0.00 54.13 54.36 1rzn s LEU 180 Cb -0.19 -2.88 0.00 0.00 0.03 0.00 0.00 46.19 43.14 1rzn s LEU 180 CO 0.21 0.20 0.00 0.61 0.23 0.00 0.00 176.35 177.60 1rzn n GLY 181 N 1.04 4.41 0.12 -3.19 0.00 -0.50 -5.01 105.19 102.07 1rzn n GLY 181 Ca -0.09 -1.15 -0.21 0.00 0.00 0.00 0.00 46.02 44.57 1rzn n GLY 181 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 1rzn h TYR 182 N 0.00 0.51 -1.18 1.61 3.20 -1.99 -3.36 116.97 115.78 1rzn h TYR 182 Ca 0.00 -0.37 0.10 0.00 3.14 0.00 0.00 58.73 61.60 1rzn h TYR 182 Cb 0.00 -0.02 -0.21 0.00 1.54 0.00 0.00 36.73 38.04 1rzn h TYR 182 CO 0.00 1.39 -0.18 0.00 -1.64 0.00 0.00 178.16 177.73 1rzn s ALA 183 N -2.44 -2.33 0.57 1.82 0.00 -1.26 -4.03 121.76 114.08 1rzn s ALA 183 Ca -0.16 1.94 -0.18 0.00 0.00 0.00 0.00 51.96 53.57 1rzn s ALA 183 Cb 0.02 -2.10 -0.04 0.00 0.00 0.00 0.00 23.12 20.99 1rzn s ALA 183 CO 0.81 -1.23 1.09 -1.25 0.00 0.00 0.00 175.76 175.18 1rzn s PRO 184 N 2.86 3.29 0.09 0.00 0.04 -1.26 -5.10 135.00 134.92 1rzn s PRO 184 Ca 0.12 1.43 -0.23 0.00 0.04 0.00 0.00 61.00 62.36 1rzn s PRO 184 Cb -0.14 -2.01 -0.15 0.00 0.04 0.00 0.00 34.50 32.24 1rzn s PRO 184 CO -0.20 -0.86 1.73 0.00 0.04 0.00 0.00 177.00 177.71 1rzn h ARG 185 N 0.83 0.02 -4.41 4.56 3.08 -1.71 -3.21 114.38 113.53 1rzn h ARG 185 Ca -0.48 -0.00 -0.64 0.00 0.07 0.00 0.00 59.98 58.93 1rzn h ARG 185 Cb 1.24 -0.00 -0.40 0.00 0.08 0.00 0.00 29.97 30.89 1rzn h ARG 185 CO 0.57 0.02 -0.74 0.42 -1.07 0.00 0.00 179.97 179.17 1rzn s ILE 186 N -6.14 1.87 -1.33 2.04 1.01 -1.26 -1.40 121.20 115.99 1rzn s ILE 186 Ca -0.13 -1.96 -0.09 0.00 0.00 0.00 0.00 60.65 58.47 1rzn s ILE 186 Cb 0.06 -2.33 0.13 0.00 0.01 0.00 0.00 42.46 40.32 1rzn s ILE 186 CO 0.66 -0.53 2.10 -0.67 0.00 0.00 0.00 174.94 176.51 1rzn n ASP 187 N 4.44 5.90 0.24 3.58 2.03 -0.99 -4.61 116.55 127.14 1rzn n ASP 187 Ca -0.00 -3.06 0.13 0.00 0.52 0.00 0.00 54.79 52.38 1rzn n ASP 187 Cb 0.42 -1.47 0.38 0.00 -0.72 0.00 0.00 41.12 39.73 1rzn n ASP 187 CO 0.00 0.00 0.00 0.10 -1.92 0.00 0.00 177.20 175.38 1rzn h TYR 188 N 5.44 0.00 0.00 -0.67 -0.00 -1.96 -2.90 116.97 116.88 1rzn h TYR 188 Ca 0.52 0.00 -0.05 0.00 0.00 0.00 0.00 58.73 59.20 1rzn h TYR 188 Cb 0.53 0.00 -0.01 0.00 0.00 0.00 0.00 36.73 37.25 1rzn h TYR 188 CO 1.40 0.06 -0.23 0.82 -0.00 0.00 0.00 178.16 180.20 1rzn h ILE 189 N 0.00 0.88 -0.03 -0.90 1.08 -2.00 -1.82 117.51 114.72 1rzn h ILE 189 Ca -0.00 -0.90 -0.11 0.00 -0.39 0.00 0.00 64.86 63.47 1rzn h ILE 189 Cb 0.82 1.53 -0.01 0.00 -3.07 0.00 0.00 36.82 36.08 1rzn h ILE 189 CO 0.01 0.23 -0.48 -1.28 -0.69 0.00 0.00 178.15 175.93 1rzn h SER 190 N 0.00 0.09 -0.21 1.72 0.87 -1.90 0.53 113.55 114.65 1rzn h SER 190 Ca -0.00 -0.04 -0.05 0.00 -1.23 0.00 0.00 61.79 60.47 1rzn h SER 190 Cb 0.51 -0.03 -0.01 0.00 -0.44 0.00 0.00 62.40 62.44 1rzn h SER 190 CO 0.03 0.56 -0.07 0.40 -0.53 0.00 0.00 176.83 177.23 1rzn h ILE 191 N 0.07 1.29 -0.59 2.23 1.08 -1.48 -0.45 117.51 119.66 1rzn h ILE 191 Ca 0.00 -1.08 0.06 0.00 -0.39 0.00 0.00 64.86 63.45 1rzn h ILE 191 Cb 0.88 1.58 -0.05 0.00 -3.07 0.00 0.00 36.82 36.15 1rzn h ILE 191 CO 0.07 0.33 0.31 0.40 -0.69 0.00 0.00 178.15 178.56 1rzn h ILE 192 N 0.12 0.93 0.40 -0.67 2.04 -1.16 -1.63 117.51 117.55 1rzn h ILE 192 Ca 0.05 -0.20 -0.02 0.00 1.00 0.00 0.00 64.86 65.70 1rzn h ILE 192 Cb 0.53 0.31 0.00 0.00 -0.74 0.00 0.00 36.82 36.92 1rzn h ILE 192 CO 0.02 0.10 -0.21 -0.08 0.00 0.00 0.00 178.15 177.99 1rzn h GLU 193 N 0.57 -0.54 -0.34 2.37 4.57 -0.79 -0.29 114.58 120.13 1rzn h GLU 193 Ca 0.27 0.04 0.07 0.00 -1.18 0.00 0.00 59.36 58.56 1rzn h GLU 193 Cb 0.19 0.12 -0.07 0.00 -0.16 0.00 0.00 28.75 28.83 1rzn h GLU 193 CO -0.19 -0.36 -0.14 0.37 -1.18 0.00 0.00 179.01 177.51 1rzn h GLN 194 N -0.56 -0.08 0.00 1.92 4.15 -0.93 -1.48 115.11 118.13 1rzn h GLN 194 Ca -0.05 0.01 -0.10 0.00 0.77 0.00 0.00 58.65 59.28 1rzn h GLN 194 Cb 0.44 0.02 -0.01 0.00 0.21 0.00 0.00 27.48 28.14 1rzn h GLN 194 CO 0.07 -0.05 -0.47 -0.07 -1.93 0.00 0.00 178.83 176.38 1rzn h LEU 195 N -0.08 0.00 0.00 -2.39 3.38 -1.18 -3.40 115.31 111.64 1rzn h LEU 195 Ca 0.17 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.14 1rzn h LEU 195 Cb 0.34 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.09 1rzn h LEU 195 CO -0.39 0.45 -0.01 -1.22 0.09 0.00 0.00 178.44 177.35 1rzn n TYR 196 N -3.20 0.00 -0.83 1.13 4.01 -0.13 -5.09 117.16 113.05 1rzn n TYR 196 Ca 0.02 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.76 1rzn n TYR 196 Cb 0.72 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.75 1rzn n TYR 196 CO 0.00 0.00 0.00 1.19 -0.46 0.00 0.00 176.86 177.59