#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1z8r s PRO 2 N 0.00 0.06 0.00 1.61 0.04 -1.26 -4.99 135.00 130.46 1z8r s PRO 2 Ca 0.00 0.26 0.00 0.00 0.04 0.00 0.00 61.00 61.30 1z8r s PRO 2 Cb 0.00 -1.72 0.00 0.00 0.04 0.00 0.00 34.50 32.82 1z8r s PRO 2 CO 0.00 -2.92 0.00 0.66 0.04 0.00 0.00 177.00 174.78 1z8r n TYR 3 N -4.27 -1.54 -2.12 0.56 4.02 -1.26 -5.12 117.16 107.44 1z8r n TYR 3 Ca 0.08 0.00 -0.41 0.00 -0.01 0.00 0.00 57.90 57.55 1z8r n TYR 3 Cb 0.58 0.31 -0.03 0.00 -0.02 0.00 0.00 39.34 40.19 1z8r n TYR 3 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 176.86 176.05 1z8r s GLY 4 N -1.67 2.38 0.09 2.72 0.00 -1.26 -5.02 107.32 104.56 1z8r s GLY 4 Ca 0.00 1.21 0.05 0.00 0.00 0.00 0.00 44.72 45.98 1z8r s GLY 4 CO 0.00 2.17 -0.02 -1.58 0.00 0.00 0.00 173.10 173.67 1z8r s HIS 5 N 0.06 2.95 -0.21 1.90 2.46 -1.26 -5.12 115.29 116.07 1z8r s HIS 5 Ca 0.58 -0.04 -0.27 0.00 0.47 0.00 0.00 55.06 55.79 1z8r s HIS 5 Cb -0.39 -1.53 0.09 0.00 -0.13 0.00 0.00 32.58 30.63 1z8r s HIS 5 CO 0.40 0.47 0.85 -1.14 -2.47 0.00 0.00 174.74 172.85 1z8r s GLN 6 N -2.23 0.75 -0.23 2.88 2.00 -1.26 -5.07 119.66 116.51 1z8r s GLN 6 Ca 0.24 0.57 -0.05 0.00 -2.00 0.00 0.00 55.36 54.13 1z8r s GLN 6 Cb -0.12 0.36 -0.12 0.00 0.80 0.00 0.00 33.01 33.94 1z8r s GLN 6 CO 0.17 -0.16 -0.25 0.45 -0.50 0.00 0.00 175.29 175.01 1z8r n SER 7 N 1.82 1.98 -1.52 6.67 2.88 -1.26 -5.00 113.62 119.19 1z8r n SER 7 Ca -0.14 0.08 -0.17 0.00 -1.33 0.00 0.00 58.87 57.31 1z8r n SER 7 Cb 0.56 -0.51 -0.05 0.00 -0.75 0.00 0.00 64.21 63.46 1z8r n SER 7 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1z8r n GLY 8 N 2.01 1.05 3.86 0.46 0.00 -1.26 -4.92 105.19 106.39 1z8r n GLY 8 Ca -0.42 -0.19 -0.05 0.00 0.00 0.00 0.00 46.02 45.36 1z8r n GLY 8 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1z8r s ALA 9 N -2.71 -1.34 -0.26 4.61 0.00 -1.26 -4.76 121.76 116.04 1z8r s ALA 9 Ca 0.00 -0.47 0.03 0.00 0.00 0.00 0.00 51.96 51.51 1z8r s ALA 9 Cb 0.00 0.74 0.06 0.00 0.00 0.00 0.00 23.12 23.92 1z8r s ALA 9 CO 0.00 -1.04 -0.09 0.08 0.00 0.00 0.00 175.76 174.71 1z8r s VAL 10 N -2.17 2.06 -0.33 0.00 1.01 -0.97 -4.86 120.40 115.14 1z8r s VAL 10 Ca 0.20 -1.62 -0.18 0.00 0.00 0.00 0.00 61.98 60.39 1z8r s VAL 10 Cb -0.03 -2.22 -0.01 0.00 0.00 0.00 0.00 36.38 34.11 1z8r s VAL 10 CO 0.07 -0.09 0.49 -0.47 0.00 0.00 0.00 175.10 175.11 1z8r s TYR 11 N 1.14 3.19 -0.26 5.22 5.04 -1.26 -1.75 117.35 128.67 1z8r s TYR 11 Ca -0.07 0.23 0.03 0.00 -2.44 0.00 0.00 57.07 54.82 1z8r s TYR 11 Cb -0.20 -2.86 0.06 0.00 0.35 0.00 0.00 41.96 39.31 1z8r s TYR 11 CO -0.06 -0.48 -0.08 0.08 -1.34 0.00 0.00 175.55 173.67 1z8r s VAL 12 N 2.34 2.04 0.00 3.14 1.01 0.09 -2.97 120.40 126.05 1z8r s VAL 12 Ca 0.18 -1.62 0.00 0.00 0.00 0.00 0.00 61.98 60.54 1z8r s VAL 12 Cb -0.16 -2.21 0.00 0.00 0.00 0.00 0.00 36.38 34.01 1z8r s VAL 12 CO 0.12 -0.11 0.00 0.61 0.00 0.00 0.00 175.10 175.73 1z8r n GLY 13 N 4.47 3.03 0.92 4.51 0.00 -1.26 0.10 105.19 116.95 1z8r n GLY 13 Ca -0.12 0.13 0.06 0.00 0.00 0.00 0.00 46.02 46.09 1z8r n GLY 13 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1z8r n ASN 14 N 3.89 2.63 -3.97 1.61 6.94 -1.26 -2.79 115.26 122.32 1z8r n ASN 14 Ca 0.00 -2.16 -0.24 0.00 -0.02 0.00 0.00 54.58 52.16 1z8r n ASN 14 Cb 0.00 -0.38 -0.17 0.00 -2.36 0.00 0.00 39.78 36.88 1z8r n ASN 14 CO 0.00 0.00 0.00 -0.31 -1.03 0.00 0.00 177.26 175.92 1z8r s TYR 15 N -1.61 1.28 -0.24 -2.53 2.02 0.11 -1.96 117.35 114.42 1z8r s TYR 15 Ca 0.28 -0.49 -0.01 0.00 -0.37 0.00 0.00 57.07 56.49 1z8r s TYR 15 Cb 0.17 -1.00 0.03 0.00 -0.40 0.00 0.00 41.96 40.76 1z8r s TYR 15 CO 0.16 -0.30 -0.08 0.21 -1.57 0.00 0.00 175.55 173.96 1z8r s LYS 16 N 0.95 2.76 -0.26 -0.62 2.36 0.20 -0.73 119.74 124.40 1z8r s LYS 16 Ca -0.10 -1.02 -0.10 0.00 -2.55 0.00 0.00 55.97 52.20 1z8r s LYS 16 Cb -0.15 -2.93 -0.05 0.00 -1.05 0.00 0.00 37.83 33.65 1z8r s LYS 16 CO 0.00 -0.41 0.17 0.14 1.55 0.00 0.00 175.35 176.80 1z8r s VAL 17 N 1.29 5.23 0.11 4.02 -7.23 -0.72 -1.58 120.40 121.52 1z8r s VAL 17 Ca -0.01 0.14 0.01 0.00 -1.81 0.00 0.00 61.98 60.32 1z8r s VAL 17 Cb -0.17 -3.46 -0.04 0.00 0.56 0.00 0.00 36.38 33.27 1z8r s VAL 17 CO -0.05 0.30 -0.05 0.54 -0.31 0.00 0.00 175.10 175.53 1z8r s VAL 18 N 1.46 0.64 0.42 1.32 0.11 -0.89 -2.29 120.40 121.16 1z8r s VAL 18 Ca 0.07 -1.94 -0.26 0.00 -2.93 0.00 0.00 61.98 56.92 1z8r s VAL 18 Cb -0.15 -1.77 -0.09 0.00 -1.53 0.00 0.00 36.38 32.84 1z8r s VAL 18 CO 0.08 -0.79 1.47 -3.20 -3.33 0.00 0.00 175.10 169.32 1z8r n ASN 19 N -0.07 3.59 -0.13 3.54 2.85 -1.26 -2.28 115.26 121.50 1z8r n ASN 19 Ca -0.11 1.17 -0.05 0.00 -0.11 0.00 0.00 54.58 55.48 1z8r n ASN 19 Cb 0.61 -1.62 0.03 0.00 1.24 0.00 0.00 39.78 40.05 1z8r n ASN 19 CO 0.00 0.00 0.00 -0.09 -2.11 0.00 0.00 177.26 175.06 1z8r h ARG 20 N 2.60 0.32 0.00 1.20 2.43 -0.07 0.54 114.38 121.39 1z8r h ARG 20 Ca -0.51 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 58.64 1z8r h ARG 20 Cb 1.26 -0.07 0.00 0.00 -0.42 0.00 0.00 29.97 30.73 1z8r h ARG 20 CO 0.62 0.21 0.00 1.58 -1.51 0.00 0.00 179.97 180.87 1z8r n HIS 21 N -4.99 0.00 0.42 2.20 -0.00 -1.26 -2.20 115.22 109.38 1z8r n HIS 21 Ca 0.03 0.00 0.05 0.00 0.46 0.00 0.00 57.72 58.25 1z8r n HIS 21 Cb 0.14 -0.44 -0.06 0.00 -0.12 0.00 0.00 29.99 29.52 1z8r n HIS 21 CO 0.00 0.00 0.00 -0.11 0.46 0.00 0.00 176.34 176.69 1z8r n LEU 22 N -1.44 0.42 -4.79 0.27 7.94 0.39 -5.01 117.00 114.78 1z8r n LEU 22 Ca 0.04 -0.46 -0.34 0.00 -1.11 0.00 0.00 56.01 54.14 1z8r n LEU 22 Cb 0.14 0.00 -0.02 0.00 0.53 0.00 0.00 43.42 44.07 1z8r n LEU 22 CO 0.12 0.11 0.74 0.00 -1.11 0.00 0.00 177.39 177.24 1z8r s ALA 23 N -1.99 2.80 0.41 1.96 0.00 0.16 -4.87 121.76 120.23 1z8r s ALA 23 Ca 0.03 0.65 0.08 0.00 0.00 0.00 0.00 51.96 52.71 1z8r s ALA 23 Cb 0.07 -3.28 -0.01 0.00 0.00 0.00 0.00 23.12 19.90 1z8r s ALA 23 CO 0.40 -0.52 0.45 0.95 0.00 0.00 0.00 175.76 177.05 1z8r s THR 24 N -1.98 2.95 0.53 0.00 -4.23 -1.26 -4.96 115.64 106.70 1z8r s THR 24 Ca 0.68 -1.19 0.26 0.00 -1.18 0.00 0.00 61.69 60.26 1z8r s THR 24 Cb -0.19 -3.04 0.40 0.00 1.34 0.00 0.00 72.50 71.01 1z8r s THR 24 CO 0.24 -0.02 1.99 -0.74 -0.54 0.00 0.00 174.62 175.55 1z8r h HIS 25 N 0.88 0.00 -0.02 3.99 2.76 -1.99 0.16 115.15 120.93 1z8r h HIS 25 Ca -0.41 0.00 -0.16 0.00 -2.20 0.00 0.00 60.37 57.60 1z8r h HIS 25 Cb 1.27 0.00 -0.02 0.00 1.55 0.00 0.00 27.41 30.21 1z8r h HIS 25 CO 0.46 0.00 -0.72 0.28 -1.30 0.00 0.00 177.93 176.66 1z8r h VAL 26 N 0.00 1.47 -0.32 5.26 2.07 -1.98 -0.40 116.25 122.35 1z8r h VAL 26 Ca 0.25 -2.34 -0.07 0.00 0.82 0.00 0.00 66.70 65.36 1z8r h VAL 26 Cb 1.01 2.26 -0.01 0.00 -1.52 0.00 0.00 31.29 33.03 1z8r h VAL 26 CO -0.00 0.68 -0.07 0.44 0.02 0.00 0.00 177.57 178.63 1z8r h ASP 27 N 0.07 0.62 0.61 0.57 5.19 -1.06 -2.58 116.42 119.84 1z8r h ASP 27 Ca -0.02 -0.36 -0.16 0.00 -0.62 0.00 0.00 57.03 55.87 1z8r h ASP 27 Cb 1.27 -0.17 -0.02 0.00 0.18 0.00 0.00 39.33 40.59 1z8r h ASP 27 CO 0.10 0.84 -0.74 -0.50 -3.12 0.00 0.00 179.24 175.82 1z8r h TRP 28 N 0.40 0.14 -0.66 4.55 6.55 -1.45 -1.00 115.95 124.48 1z8r h TRP 28 Ca 0.08 -0.07 0.04 0.00 0.95 0.00 0.00 58.89 59.89 1z8r h TRP 28 Cb 0.56 -0.02 -0.04 0.00 -0.86 0.00 0.00 29.16 28.79 1z8r h TRP 28 CO 0.05 0.80 0.40 1.96 -1.05 0.00 0.00 178.44 180.60 1z8r h GLN 29 N 0.07 0.75 -0.50 0.49 1.08 -0.89 -2.53 115.11 113.58 1z8r h GLN 29 Ca -0.02 -0.05 -0.31 0.00 -1.45 0.00 0.00 58.65 56.82 1z8r h GLN 29 Cb 1.30 -0.17 -0.20 0.00 -0.05 0.00 0.00 27.48 28.36 1z8r h GLN 29 CO 0.10 0.50 -0.17 0.09 -0.95 0.00 0.00 178.83 178.40 1z8r n ASN 30 N -4.72 3.55 -4.73 1.46 3.02 -0.99 -5.02 115.26 107.84 1z8r n ASN 30 Ca 0.07 -3.80 -0.41 0.00 -0.03 0.00 0.00 54.58 50.41 1z8r n ASN 30 Cb 0.10 -0.60 -0.04 0.00 -0.61 0.00 0.00 39.78 38.63 1z8r n ASN 30 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1z8r n VAL 32 N 2.91 1.57 -4.03 0.00 0.24 0.26 -4.95 118.33 114.33 1z8r n VAL 32 Ca 0.03 -0.60 -0.09 0.00 -2.04 0.00 0.00 64.34 61.64 1z8r n VAL 32 Cb 0.49 -1.50 -0.11 0.00 -1.47 0.00 0.00 33.84 31.26 1z8r n VAL 32 CO 0.00 0.00 0.00 0.86 -2.14 0.00 0.00 176.83 175.55 1z8r s TRP 33 N -2.53 0.40 -0.30 6.34 -0.00 -1.04 -4.98 118.94 116.83 1z8r s TRP 33 Ca -0.31 -0.69 -0.09 0.00 -0.00 0.00 0.00 56.10 55.02 1z8r s TRP 33 Cb 0.08 -0.28 0.14 0.00 -0.00 0.00 0.00 33.47 33.41 1z8r s TRP 33 CO 0.65 -0.23 0.65 -2.00 -0.00 0.00 0.00 176.95 176.03 1z8r s GLU 34 N -2.23 0.57 -0.35 5.86 -6.30 -1.26 0.72 118.70 115.71 1z8r s GLU 34 Ca -0.08 1.35 -0.08 0.00 -2.50 0.00 0.00 54.97 53.66 1z8r s GLU 34 Cb -0.05 0.81 0.03 0.00 0.00 0.00 0.00 34.13 34.92 1z8r s GLU 34 CO -0.03 -0.27 0.14 0.34 0.02 0.00 0.00 175.26 175.46 1z8r s ASP 35 N 2.88 5.47 0.14 -1.70 2.15 0.85 -4.98 116.67 121.48 1z8r s ASP 35 Ca -0.01 -0.99 -0.18 0.00 0.43 0.00 0.00 52.55 51.80 1z8r s ASP 35 Cb -0.12 -1.94 -0.02 0.00 -0.30 0.00 0.00 42.92 40.54 1z8r s ASP 35 CO -0.19 -0.32 1.79 0.10 -0.17 0.00 0.00 175.17 176.37 1z8r h TYR 36 N 8.31 0.34 0.00 -5.34 -0.00 -1.96 0.54 116.97 118.86 1z8r h TYR 36 Ca -0.26 0.01 -0.00 0.00 -0.00 0.00 0.00 58.73 58.48 1z8r h TYR 36 Cb 1.10 -0.11 -0.00 0.00 -0.00 0.00 0.00 36.73 37.72 1z8r h TYR 36 CO 0.59 0.21 -0.00 -0.91 -0.00 0.00 0.00 178.16 178.05 1z8r h ASN 37 N 0.37 0.00 -0.01 0.10 -0.26 -1.92 -0.42 115.58 113.44 1z8r h ASN 37 Ca 0.11 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.85 1z8r h ASN 37 Cb -0.02 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.24 1z8r h ASN 37 CO -0.04 0.00 -0.77 -1.14 -1.06 0.00 0.00 177.43 174.42 1z8r n ARG 38 N -3.95 0.55 -3.21 0.81 0.63 -0.64 0.99 116.66 111.85 1z8r n ARG 38 Ca -0.03 -0.44 -0.22 0.00 -0.92 0.00 0.00 57.85 56.24 1z8r n ARG 38 Cb 0.08 -1.49 0.00 0.00 0.45 0.00 0.00 32.46 31.51 1z8r n ARG 38 CO 0.00 0.00 0.00 -0.25 -2.51 0.00 0.00 177.63 174.87 1z8r n ASP 39 N -0.84 -4.04 -4.11 6.15 9.92 0.18 -4.90 116.55 118.91 1z8r n ASP 39 Ca 0.06 -0.30 -0.15 0.00 -0.53 0.00 0.00 54.79 53.86 1z8r n ASP 39 Cb 0.39 -3.34 -0.12 0.00 -0.64 0.00 0.00 41.12 37.41 1z8r n ASP 39 CO 0.00 0.00 0.00 -0.22 0.13 0.00 0.00 177.20 177.11 1z8r s LEU 40 N -6.41 2.26 0.05 0.64 2.96 -0.98 0.69 118.68 117.88 1z8r s LEU 40 Ca 0.34 -0.57 -0.07 0.00 -0.22 0.00 0.00 54.13 53.61 1z8r s LEU 40 Cb -0.18 -0.32 -0.01 0.00 0.50 0.00 0.00 46.19 46.19 1z8r s LEU 40 CO 0.42 -0.14 0.14 -1.48 -1.32 0.00 0.00 176.35 173.96 1z8r s LEU 41 N -1.60 1.64 -0.13 -0.68 -0.00 -0.97 -0.10 118.68 116.84 1z8r s LEU 41 Ca -0.06 -0.52 0.02 0.00 -0.00 0.00 0.00 54.13 53.57 1z8r s LEU 41 Cb -0.10 0.76 0.00 0.00 -0.00 0.00 0.00 46.19 46.86 1z8r s LEU 41 CO 0.01 -0.56 -0.20 -0.69 -0.00 0.00 0.00 176.35 174.91 1z8r s VAL 42 N -2.85 2.31 0.23 1.48 1.01 0.22 -2.10 120.40 120.70 1z8r s VAL 42 Ca -0.03 -0.91 0.11 0.00 0.00 0.00 0.00 61.98 61.15 1z8r s VAL 42 Cb 0.00 -1.93 -0.05 0.00 0.00 0.00 0.00 36.38 34.41 1z8r s VAL 42 CO -0.06 0.54 -0.21 -0.94 0.00 0.00 0.00 175.10 174.44 1z8r s SER 43 N 0.60 3.40 0.04 3.32 1.04 -0.61 0.90 113.70 122.39 1z8r s SER 43 Ca -0.11 -0.96 -0.05 0.00 0.48 0.00 0.00 55.95 55.31 1z8r s SER 43 Cb -0.16 -0.26 -0.05 0.00 0.10 0.00 0.00 66.02 65.65 1z8r s SER 43 CO 0.03 0.05 0.28 0.42 0.98 0.00 0.00 173.24 175.00 1z8r s THR 44 N -2.19 5.29 0.17 2.02 -4.23 -0.90 0.62 115.64 116.43 1z8r s THR 44 Ca 0.25 0.04 0.01 0.00 -1.18 0.00 0.00 61.69 60.81 1z8r s THR 44 Cb -0.06 -3.59 -0.04 0.00 1.34 0.00 0.00 72.50 70.15 1z8r s THR 44 CO 0.12 0.26 0.03 0.28 -0.54 0.00 0.00 174.62 174.77 1z8r s THR 45 N -1.41 0.49 -0.12 3.99 -1.32 -0.83 -4.92 115.64 111.53 1z8r s THR 45 Ca 0.31 -1.96 0.07 0.00 -1.21 0.00 0.00 61.69 58.90 1z8r s THR 45 Cb -0.13 -2.17 -0.24 0.00 -1.51 0.00 0.00 72.50 68.45 1z8r s THR 45 CO 0.20 -0.40 0.36 1.07 -2.21 0.00 0.00 174.62 173.63 1z8r n THR 46 N -0.23 1.60 -2.94 5.08 5.66 -1.26 -4.68 114.28 117.51 1z8r n THR 46 Ca -0.05 -0.74 -0.41 0.00 -3.05 0.00 0.00 64.05 59.80 1z8r n THR 46 Cb 0.64 -1.18 -0.04 0.00 -1.55 0.00 0.00 70.33 68.20 1z8r n THR 46 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1z8r s ALA 47 N -2.56 3.34 0.59 1.79 0.00 -1.26 -5.02 121.76 118.64 1z8r s ALA 47 Ca -0.14 0.19 -0.20 0.00 0.00 0.00 0.00 51.96 51.81 1z8r s ALA 47 Cb 0.07 -3.09 -0.04 0.00 0.00 0.00 0.00 23.12 20.07 1z8r s ALA 47 CO 0.78 -0.25 1.28 0.72 0.00 0.00 0.00 175.76 178.29 1z8r n HIS 48 N 4.12 1.96 -1.94 0.00 -0.00 -1.26 -4.79 115.22 113.31 1z8r n HIS 48 Ca 0.01 0.43 -0.30 0.00 -0.00 0.00 0.00 57.72 57.87 1z8r n HIS 48 Cb 0.51 -2.30 0.18 0.00 -0.00 0.00 0.00 29.99 28.38 1z8r n HIS 48 CO 0.00 0.00 0.00 0.20 -0.00 0.00 0.00 176.34 176.54 1z8r s GLY 49 N -1.12 1.77 -0.15 -1.41 0.00 -1.12 -4.90 107.32 100.39 1z8r s GLY 49 Ca 0.76 -1.19 0.19 0.00 0.00 0.00 0.00 44.72 44.48 1z8r s GLY 49 CO 0.46 -0.44 1.17 0.00 0.00 0.00 0.00 173.10 174.29 1z8r s ASP 51 N -2.92 0.34 -0.21 0.00 1.01 -1.16 -5.03 116.67 108.71 1z8r s ASP 51 Ca 0.36 -0.25 0.02 0.00 0.71 0.00 0.00 52.55 53.38 1z8r s ASP 51 Cb 0.37 0.02 0.04 0.00 1.01 0.00 0.00 42.92 44.36 1z8r s ASP 51 CO -0.09 -0.10 -0.15 -0.89 0.21 0.00 0.00 175.17 174.14 1z8r s THR 52 N -0.67 2.01 0.27 -1.27 2.01 -1.26 -4.62 115.64 112.12 1z8r s THR 52 Ca -0.06 -1.17 -0.29 0.00 0.31 0.00 0.00 61.69 60.48 1z8r s THR 52 Cb -0.05 -1.96 -0.09 0.00 0.01 0.00 0.00 72.50 70.41 1z8r s THR 52 CO -0.00 0.29 1.12 -0.63 -0.69 0.00 0.00 174.62 174.71 1z8r s ILE 53 N 1.25 3.46 -0.09 1.82 1.01 -1.26 -0.19 121.20 127.21 1z8r s ILE 53 Ca -0.01 1.45 -0.16 0.00 0.00 0.00 0.00 60.65 61.93 1z8r s ILE 53 Cb -0.16 -3.92 -0.05 0.00 0.01 0.00 0.00 42.46 38.34 1z8r s ILE 53 CO -0.10 0.34 0.41 0.00 0.00 0.00 0.00 174.94 175.59 1z8r s ALA 54 N -1.06 3.58 -0.36 9.38 0.00 0.17 -2.99 121.76 130.49 1z8r s ALA 54 Ca 0.45 -0.26 0.05 0.00 0.00 0.00 0.00 51.96 52.20 1z8r s ALA 54 Cb -0.32 -2.49 0.48 0.00 0.00 0.00 0.00 23.12 20.79 1z8r s ALA 54 CO 0.41 0.19 1.55 -2.13 0.00 0.00 0.00 175.76 175.78 1z8r n ARG 55 N 3.00 2.37 -3.29 0.00 0.63 -0.75 -4.70 116.66 113.92 1z8r n ARG 55 Ca -0.11 -2.07 -0.18 0.00 -0.92 0.00 0.00 57.85 54.57 1z8r n ARG 55 Cb 0.52 -1.87 0.00 0.00 0.45 0.00 0.00 32.46 31.57 1z8r n ARG 55 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1z8r n GLN 57 N -1.72 1.44 -1.69 0.00 6.02 -1.26 -5.07 117.38 115.10 1z8r n GLN 57 Ca 0.03 -3.07 -0.44 0.00 -0.01 0.00 0.00 57.00 53.51 1z8r n GLN 57 Cb 0.58 -1.24 -0.03 0.00 1.02 0.00 0.00 30.24 30.57 1z8r n GLN 57 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1z8r n THR 59 N 2.72 0.50 -5.11 0.00 5.66 -1.26 -4.66 114.28 112.13 1z8r n THR 59 Ca 0.13 0.13 -0.32 0.00 -3.05 0.00 0.00 64.05 60.94 1z8r n THR 59 Cb 0.32 -0.77 -0.16 0.00 -1.55 0.00 0.00 70.33 68.17 1z8r n THR 59 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 175.07 172.44 1z8r s THR 60 N -2.86 2.32 0.00 1.09 -4.23 -1.26 0.16 115.64 110.86 1z8r s THR 60 Ca 0.13 -0.93 0.00 0.00 -1.18 0.00 0.00 61.69 59.71 1z8r s THR 60 Cb 0.14 -1.90 0.00 0.00 1.34 0.00 0.00 72.50 72.07 1z8r s THR 60 CO 0.36 0.55 0.00 0.61 -0.54 0.00 0.00 174.62 175.60 1z8r n GLY 61 N 3.43 2.89 2.87 3.99 0.00 -0.53 -4.82 105.19 113.03 1z8r n GLY 61 Ca -0.19 -1.18 -0.22 0.00 0.00 0.00 0.00 46.02 44.44 1z8r n GLY 61 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1z8r s VAL 62 N -2.60 0.59 0.16 1.61 0.11 -0.96 0.11 120.40 119.42 1z8r s VAL 62 Ca 0.00 -0.10 0.07 0.00 -2.93 0.00 0.00 61.98 59.02 1z8r s VAL 62 Cb 0.00 -0.64 -0.04 0.00 -1.53 0.00 0.00 36.38 34.17 1z8r s VAL 62 CO 0.00 0.26 -0.02 -0.72 -3.33 0.00 0.00 175.10 171.29 1z8r s TYR 63 N 1.24 2.83 0.07 1.54 -0.85 0.65 -2.31 117.35 120.53 1z8r s TYR 63 Ca -0.06 -0.14 -0.12 0.00 -0.52 0.00 0.00 57.07 56.24 1z8r s TYR 63 Cb -0.14 -1.39 -0.06 0.00 0.38 0.00 0.00 41.96 40.76 1z8r s TYR 63 CO -0.02 0.51 0.43 0.12 -1.52 0.00 0.00 175.55 175.07 1z8r s PHE 64 N -1.66 3.62 -0.04 -3.49 5.36 -1.26 0.61 117.98 121.14 1z8r s PHE 64 Ca 0.27 0.89 0.07 0.00 -0.96 0.00 0.00 56.93 57.20 1z8r s PHE 64 Cb -0.10 -2.23 -0.01 0.00 -0.34 0.00 0.00 43.02 40.34 1z8r s PHE 64 CO 0.18 0.53 -0.24 0.00 -1.46 0.00 0.00 175.22 174.23 1z8r h ALA 66 N 5.80 0.14 0.01 0.00 0.00 -1.49 0.43 119.26 124.15 1z8r h ALA 66 Ca -0.37 -0.48 -0.00 0.00 0.00 0.00 0.00 54.91 54.06 1z8r h ALA 66 Cb 1.15 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.94 1z8r h ALA 66 CO 0.47 0.26 -0.00 1.03 0.00 0.00 0.00 179.25 181.01 1z8r h SER 67 N -0.09 -0.01 0.91 0.00 0.87 -1.97 -3.03 113.55 110.23 1z8r h SER 67 Ca -0.03 -0.23 -0.12 0.00 -1.23 0.00 0.00 61.79 60.18 1z8r h SER 67 Cb 1.07 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 63.01 1z8r h SER 67 CO 0.08 0.23 -0.55 0.11 -0.53 0.00 0.00 176.83 176.17 1z8r h LYS 68 N -0.25 0.00 -1.24 2.24 1.79 -1.95 -3.47 116.57 113.70 1z8r h LYS 68 Ca -0.00 0.00 -0.42 0.00 -2.18 0.00 0.00 60.65 58.05 1z8r h LYS 68 Cb 0.24 0.00 -0.15 0.00 -1.58 0.00 0.00 32.23 30.74 1z8r h LYS 68 CO 0.00 0.55 -0.40 0.43 -1.08 0.00 0.00 179.45 178.95 1z8r n SER 69 N -3.53 -5.46 -4.33 0.86 7.64 0.15 -4.94 113.62 104.02 1z8r n SER 69 Ca -0.00 0.45 -0.17 0.00 1.01 0.00 0.00 58.87 60.16 1z8r n SER 69 Cb 0.64 -4.79 -0.10 0.00 -1.01 0.00 0.00 64.21 58.94 1z8r n SER 69 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 1z8r s LYS 70 N -3.88 1.43 0.15 1.43 1.02 -1.22 -4.93 119.74 113.74 1z8r s LYS 70 Ca 0.00 -1.78 -0.25 0.00 0.02 0.00 0.00 55.97 53.96 1z8r s LYS 70 Cb 0.00 -0.31 -0.08 0.00 -0.52 0.00 0.00 37.83 36.92 1z8r s LYS 70 CO 0.00 -0.29 0.78 -3.38 -0.92 0.00 0.00 175.35 171.54 1z8r s HIS 71 N -3.72 3.89 -0.19 3.18 -3.43 -1.26 -2.29 115.29 111.46 1z8r s HIS 71 Ca 0.38 1.62 0.00 0.00 -0.80 0.00 0.00 55.06 56.26 1z8r s HIS 71 Cb 0.08 -2.78 0.05 0.00 -1.43 0.00 0.00 32.58 28.50 1z8r s HIS 71 CO 0.14 0.49 -0.07 0.71 -2.00 0.00 0.00 174.74 174.00 1z8r s TYR 72 N -1.01 2.12 -0.14 0.38 1.51 0.20 -4.94 117.35 115.47 1z8r s TYR 72 Ca 0.36 -1.42 -0.29 0.00 -1.01 0.00 0.00 57.07 54.71 1z8r s TYR 72 Cb -0.23 -1.50 -0.02 0.00 -0.11 0.00 0.00 41.96 40.10 1z8r s TYR 72 CO 0.26 -0.70 1.29 -2.14 -1.11 0.00 0.00 175.55 173.15 1z8r s PRO 73 N 1.49 4.24 -0.01 -1.71 0.02 -1.26 -0.25 135.00 137.52 1z8r s PRO 73 Ca -0.01 1.71 -0.06 0.00 0.02 0.00 0.00 61.00 62.65 1z8r s PRO 73 Cb -0.16 -3.76 0.00 0.00 0.02 0.00 0.00 34.50 30.60 1z8r s PRO 73 CO -0.08 -0.69 0.13 0.08 -0.33 0.00 0.00 177.00 176.11 1z8r s VAL 74 N 3.42 0.06 -0.02 3.83 1.01 0.29 -4.94 120.40 124.05 1z8r s VAL 74 Ca 0.56 -0.53 -0.17 0.00 0.00 0.00 0.00 61.98 61.85 1z8r s VAL 74 Cb -0.23 -0.37 -0.05 0.00 0.00 0.00 0.00 36.38 35.73 1z8r s VAL 74 CO 0.17 -0.29 0.46 -0.94 0.00 0.00 0.00 175.10 174.50 1z8r s SER 75 N -1.02 6.83 0.20 3.32 1.04 -1.26 -1.45 113.70 121.37 1z8r s SER 75 Ca -0.11 0.99 -0.08 0.00 0.48 0.00 0.00 55.95 57.23 1z8r s SER 75 Cb -0.06 -2.28 -0.02 0.00 0.10 0.00 0.00 66.02 63.76 1z8r s SER 75 CO 0.01 0.22 0.30 0.72 0.98 0.00 0.00 173.24 175.47 1z8r s PHE 76 N -0.61 0.64 0.24 5.02 -0.12 0.12 -4.23 117.98 119.04 1z8r s PHE 76 Ca 0.25 -0.96 0.09 0.00 -0.05 0.00 0.00 56.93 56.27 1z8r s PHE 76 Cb -0.17 -0.14 -0.04 0.00 -0.63 0.00 0.00 43.02 42.04 1z8r s PHE 76 CO 0.14 -0.79 -0.02 -2.00 -0.05 0.00 0.00 175.22 172.50 1z8r s GLU 77 N -4.05 2.27 -0.94 1.99 2.12 -0.98 -4.59 118.70 114.52 1z8r s GLU 77 Ca 0.26 -1.35 -0.01 0.00 0.36 0.00 0.00 54.97 54.23 1z8r s GLU 77 Cb 0.03 -2.18 0.30 0.00 0.26 0.00 0.00 34.13 32.54 1z8r s GLU 77 CO 0.07 0.39 1.32 0.41 -0.54 0.00 0.00 175.26 176.91 1z8r n GLY 78 N -0.64 5.25 3.74 -1.50 0.00 -1.26 -2.08 105.19 108.70 1z8r n GLY 78 Ca -0.08 -2.69 -0.41 0.00 0.00 0.00 0.00 46.02 42.84 1z8r n GLY 78 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1z8r s PRO 79 N -2.97 4.34 0.00 1.61 0.04 -1.08 -4.86 135.00 132.08 1z8r s PRO 79 Ca 0.35 2.17 0.00 0.00 0.04 0.00 0.00 61.00 63.56 1z8r s PRO 79 Cb 0.11 -3.15 0.00 0.00 0.04 0.00 0.00 34.50 31.50 1z8r s PRO 79 CO 0.04 -0.31 0.36 0.41 0.04 0.00 0.00 177.00 177.53 1z8r n GLY 80 N 2.16 -2.83 3.60 0.56 0.00 -1.26 -2.34 105.19 105.07 1z8r n GLY 80 Ca 0.06 0.02 -0.39 0.00 0.00 0.00 0.00 46.02 45.71 1z8r n GLY 80 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1z8r s LEU 81 N -0.75 4.04 -0.13 0.99 1.98 -1.26 0.11 118.68 123.67 1z8r s LEU 81 Ca 0.00 0.18 0.01 0.00 -2.89 0.00 0.00 54.13 51.43 1z8r s LEU 81 Cb 0.00 -2.33 0.02 0.00 0.66 0.00 0.00 46.19 44.54 1z8r s LEU 81 CO 0.00 -0.15 -0.14 -0.69 -1.89 0.00 0.00 176.35 173.48 1z8r s VAL 82 N 1.97 1.52 -0.44 1.68 1.01 0.19 -4.92 120.40 121.40 1z8r s VAL 82 Ca 0.12 -0.62 -0.28 0.00 0.00 0.00 0.00 61.98 61.20 1z8r s VAL 82 Cb -0.16 -1.42 0.00 0.00 0.00 0.00 0.00 36.38 34.81 1z8r s VAL 82 CO 0.10 0.45 1.55 -1.83 0.00 0.00 0.00 175.10 175.37 1z8r s GLU 83 N 1.29 3.37 -0.09 2.72 4.04 -1.26 -1.35 118.70 127.43 1z8r s GLU 83 Ca 0.00 0.92 -0.28 0.00 0.04 0.00 0.00 54.97 55.65 1z8r s GLU 83 Cb -0.14 -4.12 -0.02 0.00 0.02 0.00 0.00 34.13 29.87 1z8r s GLU 83 CO -0.07 -1.83 0.92 0.14 -1.84 0.00 0.00 175.26 172.59 1z8r s VAL 84 N 6.26 4.86 0.56 1.83 -7.23 0.16 -4.92 120.40 121.90 1z8r s VAL 84 Ca 0.64 1.88 -0.19 0.00 -1.81 0.00 0.00 61.98 62.51 1z8r s VAL 84 Cb -0.15 -4.24 -0.05 0.00 0.56 0.00 0.00 36.38 32.50 1z8r s VAL 84 CO 0.30 0.08 1.13 -1.10 -0.31 0.00 0.00 175.10 175.20 1z8r s GLN 85 N 1.62 3.29 -0.52 4.82 -0.21 -1.26 -1.53 119.66 125.87 1z8r s GLN 85 Ca 0.46 1.58 -0.27 0.00 0.02 0.00 0.00 55.36 57.15 1z8r s GLN 85 Cb -0.19 -2.00 -0.03 0.00 1.00 0.00 0.00 33.01 31.80 1z8r s GLN 85 CO 0.19 -0.89 1.94 -1.83 -2.12 0.00 0.00 175.29 172.58 1z8r s GLU 86 N -3.39 2.72 0.13 2.91 -1.05 -1.26 -4.52 118.70 114.25 1z8r s GLU 86 Ca 0.72 0.95 -0.05 0.00 -0.15 0.00 0.00 54.97 56.44 1z8r s GLU 86 Cb -0.23 -4.37 -0.02 0.00 -0.44 0.00 0.00 34.13 29.06 1z8r s GLU 86 CO 0.29 -2.60 0.15 0.45 0.95 0.00 0.00 175.26 174.50 1z8r s SER 87 N 8.26 0.20 0.00 0.83 0.15 -0.61 -4.88 113.70 117.64 1z8r s SER 87 Ca 0.75 -0.98 0.00 0.00 0.70 0.00 0.00 55.95 56.42 1z8r s SER 87 Cb -0.16 0.35 0.00 0.00 -1.71 0.00 0.00 66.02 64.50 1z8r s SER 87 CO 0.25 -0.78 0.00 1.21 1.20 0.00 0.00 173.24 175.12 1z8r n GLU 88 N -0.12 0.00 -0.68 5.44 2.13 -1.26 -0.68 120.64 125.47 1z8r n GLU 88 Ca -0.08 0.00 -0.01 0.00 0.66 0.00 0.00 57.16 57.72 1z8r n GLU 88 Cb 0.63 0.00 -0.01 0.00 0.27 0.00 0.00 31.44 32.32 1z8r n GLU 88 CO 0.00 0.00 0.00 2.48 -0.41 0.00 0.00 177.13 179.20 1z8r n TYR 89 N 0.00 0.00 -5.01 4.31 0.18 -1.26 -5.12 117.16 110.27 1z8r n TYR 89 Ca 0.00 -0.15 -0.28 0.00 1.88 0.00 0.00 57.90 59.35 1z8r n TYR 89 Cb 0.00 0.24 -0.16 0.00 -0.38 0.00 0.00 39.34 39.04 1z8r n TYR 89 CO 0.00 0.00 0.00 -0.47 -2.08 0.00 0.00 176.86 174.31 1z8r s TYR 90 N 0.00 1.95 0.38 -3.48 5.04 0.14 -5.14 117.35 116.24 1z8r s TYR 90 Ca 0.02 -0.51 -0.20 0.00 -2.44 0.00 0.00 57.07 53.94 1z8r s TYR 90 Cb 0.02 -1.29 -0.10 0.00 0.35 0.00 0.00 41.96 40.95 1z8r s TYR 90 CO -0.01 -0.14 0.88 -1.25 -1.34 0.00 0.00 175.55 173.70 1z8r s PRO 91 N -0.18 4.22 -0.88 4.97 0.04 -1.26 -1.57 135.00 140.33 1z8r s PRO 91 Ca 0.00 1.02 -0.17 0.00 0.04 0.00 0.00 61.00 61.90 1z8r s PRO 91 Cb -0.11 -2.36 -0.24 0.00 0.04 0.00 0.00 34.50 31.83 1z8r s PRO 91 CO 0.02 0.08 2.24 1.17 0.04 0.00 0.00 177.00 180.54 1z8r n LYS 92 N -0.34 0.25 -4.53 4.56 3.00 -1.25 -4.59 118.16 115.26 1z8r n LYS 92 Ca 0.05 -0.41 -0.25 0.00 -0.00 0.00 0.00 58.31 57.70 1z8r n LYS 92 Cb 0.53 -2.25 -0.11 0.00 0.00 0.00 0.00 35.03 33.20 1z8r n LYS 92 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.40 177.90 1z8r s ARG 93 N 7.83 1.79 -0.07 1.64 6.06 -0.58 -4.91 118.95 130.71 1z8r s ARG 93 Ca 1.10 -2.00 -0.19 0.00 -2.50 0.00 0.00 55.73 52.15 1z8r s ARG 93 Cb -0.50 -1.25 -0.05 0.00 0.06 0.00 0.00 34.95 33.22 1z8r s ARG 93 CO 0.33 -0.11 0.52 0.71 -2.50 0.00 0.00 175.30 174.25 1z8r s TYR 94 N -3.00 3.59 -0.07 5.12 1.51 -1.26 0.35 117.35 123.59 1z8r s TYR 94 Ca 0.35 1.01 0.04 0.00 -1.01 0.00 0.00 57.07 57.46 1z8r s TYR 94 Cb 0.09 -2.55 0.00 0.00 -0.11 0.00 0.00 41.96 39.39 1z8r s TYR 94 CO 0.17 0.27 -0.18 -0.65 -1.11 0.00 0.00 175.55 174.04 1z8r s GLN 95 N 0.23 2.22 0.02 -0.62 -1.52 -0.46 -4.71 119.66 114.82 1z8r s GLN 95 Ca 0.28 -0.65 -0.01 0.00 -1.95 0.00 0.00 55.36 53.02 1z8r s GLN 95 Cb -0.16 -1.79 -0.04 0.00 -0.22 0.00 0.00 33.01 30.80 1z8r s GLN 95 CO 0.13 0.16 0.16 -1.54 -0.25 0.00 0.00 175.29 173.96 1z8r s SER 96 N 0.32 6.16 -0.90 5.90 1.04 0.28 0.53 113.70 127.04 1z8r s SER 96 Ca -0.12 0.25 -0.03 0.00 0.48 0.00 0.00 55.95 56.53 1z8r s SER 96 Cb -0.15 -1.87 -0.03 0.00 0.10 0.00 0.00 66.02 64.06 1z8r s SER 96 CO 0.05 0.23 0.77 1.57 0.98 0.00 0.00 173.24 176.84 1z8r n HIS 97 N 0.75 -1.90 -5.02 5.02 -0.00 0.31 -4.07 115.22 110.30 1z8r n HIS 97 Ca -0.09 0.72 -0.28 0.00 -0.00 0.00 0.00 57.72 58.06 1z8r n HIS 97 Cb 0.52 -4.09 -0.16 0.00 -0.00 0.00 0.00 29.99 26.26 1z8r n HIS 97 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.34 176.88 1z8r s VAL 98 N -3.31 1.70 -0.15 3.57 0.11 -0.99 -2.31 120.40 119.02 1z8r s VAL 98 Ca 0.22 -0.87 -0.06 0.00 -2.93 0.00 0.00 61.98 58.34 1z8r s VAL 98 Cb -0.03 -1.44 -0.04 0.00 -1.53 0.00 0.00 36.38 33.34 1z8r s VAL 98 CO 0.59 0.48 0.05 -0.76 -3.33 0.00 0.00 175.10 172.14 1z8r s LEU 99 N -0.10 3.80 -0.05 2.54 1.02 0.21 -2.64 118.68 123.46 1z8r s LEU 99 Ca -0.02 0.13 0.05 0.00 0.02 0.00 0.00 54.13 54.31 1z8r s LEU 99 Cb -0.12 -1.93 -0.02 0.00 0.02 0.00 0.00 46.19 44.14 1z8r s LEU 99 CO 0.02 0.25 -0.19 -0.76 0.02 0.00 0.00 176.35 175.69 1z8r s LEU 100 N -0.09 2.46 -0.13 1.79 1.43 -0.88 0.10 118.68 123.36 1z8r s LEU 100 Ca 0.06 -0.32 -0.00 0.00 -1.03 0.00 0.00 54.13 52.84 1z8r s LEU 100 Cb -0.12 -1.48 0.03 0.00 0.03 0.00 0.00 46.19 44.65 1z8r s LEU 100 CO 0.01 0.31 -0.09 0.00 0.23 0.00 0.00 176.35 176.82 1z8r s ALA 101 N -0.53 1.46 -0.42 4.21 0.00 0.10 -2.31 121.76 124.27 1z8r s ALA 101 Ca 0.07 -0.66 -0.24 0.00 0.00 0.00 0.00 51.96 51.14 1z8r s ALA 101 Cb -0.11 -0.97 0.02 0.00 0.00 0.00 0.00 23.12 22.05 1z8r s ALA 101 CO 0.01 -0.47 0.81 -0.08 0.00 0.00 0.00 175.76 176.04 1z8r s THR 102 N 1.65 4.65 0.00 0.00 -1.32 -1.26 0.17 115.64 119.53 1z8r s THR 102 Ca 0.04 0.68 0.00 0.00 -1.21 0.00 0.00 61.69 61.20 1z8r s THR 102 Cb -0.13 -4.30 0.00 0.00 -1.51 0.00 0.00 72.50 66.56 1z8r s THR 102 CO -0.09 -0.62 0.00 0.61 -2.21 0.00 0.00 174.62 172.31 1z8r n GLY 103 N 4.79 -2.05 0.77 6.08 0.00 -0.75 -4.90 105.19 109.12 1z8r n GLY 103 Ca 0.03 -1.47 0.06 0.00 0.00 0.00 0.00 46.02 44.64 1z8r n GLY 103 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1z8r n PHE 104 N -1.46 0.00 -3.60 1.61 3.72 -1.26 -5.00 117.46 111.46 1z8r n PHE 104 Ca 0.00 -1.30 -0.07 0.00 -0.05 0.00 0.00 57.45 56.03 1z8r n PHE 104 Cb 0.00 -0.23 0.02 0.00 -0.94 0.00 0.00 39.48 38.33 1z8r n PHE 104 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 176.76 177.14 1z8r n SER 105 N -0.81 -1.64 0.01 4.37 7.64 -1.26 -5.08 113.62 116.85 1z8r n SER 105 Ca 0.16 -2.18 -0.20 0.00 1.01 0.00 0.00 58.87 57.66 1z8r n SER 105 Cb 0.78 2.75 -0.14 0.00 -1.01 0.00 0.00 64.21 66.59 1z8r n SER 105 CO 0.00 0.00 0.00 -0.33 -3.01 0.00 0.00 175.04 171.70 1z8r h GLU 106 N 0.00 0.22 -6.99 1.43 5.08 -1.97 -3.46 114.58 108.89 1z8r h GLU 106 Ca -0.24 -0.38 -0.40 0.00 -1.00 0.00 0.00 59.36 57.34 1z8r h GLU 106 Cb 0.90 0.14 0.22 0.00 0.50 0.00 0.00 28.75 30.51 1z8r h GLU 106 CO 0.31 1.18 -0.14 -2.30 -1.00 0.00 0.00 179.01 177.06 1z8r n PRO 107 N -4.12 -3.61 0.00 2.33 -0.02 -1.26 -4.85 135.00 123.47 1z8r n PRO 107 Ca -0.19 -1.05 0.00 0.00 -2.02 0.00 0.00 63.50 60.24 1z8r n PRO 107 Cb 0.81 -2.02 0.00 0.00 -0.02 0.00 0.00 33.50 32.27 1z8r n PRO 107 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1z8r n GLY 108 N 1.50 0.11 0.95 -1.23 0.00 -1.26 -4.99 105.19 100.28 1z8r n GLY 108 Ca 0.07 -0.71 -0.00 0.00 0.00 0.00 0.00 46.02 45.38 1z8r n GLY 108 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1z8r n ASP 109 N 0.00 0.75 -4.52 1.61 -0.08 -1.26 -4.83 116.55 108.22 1z8r n ASP 109 Ca 0.00 0.10 -0.31 0.00 -1.51 0.00 0.00 54.79 53.06 1z8r n ASP 109 Cb 0.00 -0.25 -0.07 0.00 2.34 0.00 0.00 41.12 43.14 1z8r n ASP 109 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1z8r s ALA 110 N -2.08 3.86 0.00 -1.67 0.00 -1.26 -4.70 121.76 115.91 1z8r s ALA 110 Ca -0.01 -0.40 0.00 0.00 0.00 0.00 0.00 51.96 51.54 1z8r s ALA 110 Cb 0.00 0.27 0.00 0.00 0.00 0.00 0.00 23.12 23.39 1z8r s ALA 110 CO 0.02 -0.12 0.00 0.41 0.00 0.00 0.00 175.76 176.07 1z8r n GLY 111 N -1.20 -1.49 0.00 0.00 0.00 -1.26 -1.31 105.19 99.94 1z8r n GLY 111 Ca -0.16 0.76 0.00 0.00 0.00 0.00 0.00 46.02 46.61 1z8r n GLY 111 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1z8r n GLY 112 N 0.00 2.39 3.23 -0.02 0.00 -1.24 -4.74 105.19 104.82 1z8r n GLY 112 Ca 0.00 -0.26 -0.24 0.00 0.00 0.00 0.00 46.02 45.52 1z8r n GLY 112 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1z8r s ILE 113 N 1.66 1.55 -0.33 -0.61 -5.25 -1.26 -2.28 121.20 114.67 1z8r s ILE 113 Ca 0.00 -1.23 -0.23 0.00 -0.99 0.00 0.00 60.65 58.21 1z8r s ILE 113 Cb 0.00 -1.37 0.00 0.00 2.95 0.00 0.00 42.46 44.04 1z8r s ILE 113 CO 0.00 0.10 0.75 -0.22 -1.79 0.00 0.00 174.94 173.78 1z8r s LEU 114 N -1.32 4.13 0.03 0.37 2.96 0.28 -4.07 118.68 121.06 1z8r s LEU 114 Ca 0.06 0.46 0.08 0.00 -0.22 0.00 0.00 54.13 54.51 1z8r s LEU 114 Cb -0.09 -2.99 -0.03 0.00 0.50 0.00 0.00 46.19 43.58 1z8r s LEU 114 CO 0.02 -0.64 -0.24 0.00 -1.32 0.00 0.00 176.35 174.17 1z8r s ARG 115 N 2.95 1.93 0.35 1.98 1.70 -0.98 0.74 118.95 127.62 1z8r s ARG 115 Ca 0.30 -1.04 0.08 0.00 -0.47 0.00 0.00 55.73 54.60 1z8r s ARG 115 Cb -0.14 -2.06 -0.03 0.00 -0.57 0.00 0.00 34.95 32.15 1z8r s ARG 115 CO 0.14 0.53 0.26 0.00 -1.08 0.00 0.00 175.30 175.15 1z8r h GLU 117 N 1.30 0.00 0.08 0.00 4.81 -1.98 -0.40 114.58 118.38 1z8r h GLU 117 Ca -0.44 0.00 -0.35 0.00 -0.13 0.00 0.00 59.36 58.45 1z8r h GLU 117 Cb 1.26 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 30.60 1z8r h GLU 117 CO 0.60 0.00 -1.97 0.72 -0.73 0.00 0.00 179.01 177.63 1z8r n HIS 118 N -2.66 1.05 0.00 0.92 8.25 -1.26 -5.09 115.22 116.44 1z8r n HIS 118 Ca -0.02 0.26 0.00 0.00 -0.26 0.00 0.00 57.72 57.71 1z8r n HIS 118 Cb 0.25 -1.15 0.00 0.00 1.12 0.00 0.00 29.99 30.20 1z8r n HIS 118 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1z8r n GLY 119 N 1.88 -0.98 3.80 -1.41 0.00 -0.16 -4.60 105.19 103.73 1z8r n GLY 119 Ca -0.29 -0.02 -0.36 0.00 0.00 0.00 0.00 46.02 45.35 1z8r n GLY 119 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1z8r s VAL 120 N -4.00 5.35 -0.09 1.61 1.01 0.74 0.12 120.40 125.13 1z8r s VAL 120 Ca 0.00 0.16 -0.09 0.00 0.00 0.00 0.00 61.98 62.04 1z8r s VAL 120 Cb 0.00 -3.37 -0.03 0.00 0.00 0.00 0.00 36.38 32.98 1z8r s VAL 120 CO 0.00 0.55 -0.18 -0.38 0.00 0.00 0.00 175.10 175.09 1z8r n ILE 121 N 2.63 0.81 -2.94 2.22 -0.00 0.23 -0.65 119.36 121.64 1z8r n ILE 121 Ca -0.18 0.31 0.00 0.00 -0.00 0.00 0.00 62.75 62.88 1z8r n ILE 121 Cb 0.54 -1.96 0.00 0.00 -0.00 0.00 0.00 39.64 38.22 1z8r n ILE 121 CO 0.00 0.00 0.00 0.61 -0.00 0.00 0.00 176.55 177.16 1z8r n GLY 122 N 1.50 1.87 3.60 7.39 0.00 -0.97 0.10 105.19 118.69 1z8r n GLY 122 Ca -0.07 -0.89 -0.25 0.00 0.00 0.00 0.00 46.02 44.81 1z8r n GLY 122 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 1z8r s LEU 123 N 0.00 2.91 -0.25 0.99 2.34 -0.78 1.00 118.68 124.90 1z8r s LEU 123 Ca 0.00 -1.02 -0.28 0.00 0.06 0.00 0.00 54.13 52.90 1z8r s LEU 123 Cb 0.00 -1.28 -0.05 0.00 -0.56 0.00 0.00 46.19 44.30 1z8r s LEU 123 CO 0.00 -0.19 2.23 0.54 -1.06 0.00 0.00 176.35 177.86 1z8r s VAL 124 N -2.52 3.02 0.00 1.48 0.11 -0.96 0.02 120.40 121.54 1z8r s VAL 124 Ca 0.34 0.02 0.00 0.00 -2.93 0.00 0.00 61.98 59.41 1z8r s VAL 124 Cb -0.00 -3.03 0.00 0.00 -1.53 0.00 0.00 36.38 31.82 1z8r s VAL 124 CO 0.18 -0.02 0.00 0.41 -3.33 0.00 0.00 175.10 172.35 1z8r n THR 125 N 7.78 0.00 -4.34 5.04 -1.04 0.11 -4.83 114.28 117.01 1z8r n THR 125 Ca 0.30 0.00 -0.18 0.00 -2.04 0.00 0.00 64.05 62.14 1z8r n THR 125 Cb 0.46 -0.32 -0.10 0.00 -1.82 0.00 0.00 70.33 68.54 1z8r n THR 125 CO 0.00 0.00 0.00 -0.04 -0.64 0.00 0.00 175.07 174.39 1z8r s MET 126 N 0.00 1.31 0.13 -2.82 -1.94 -1.08 -4.98 119.30 109.92 1z8r s MET 126 Ca 0.00 -1.61 0.05 0.00 -1.71 0.00 0.00 55.69 52.41 1z8r s MET 126 Cb 0.00 -0.90 -0.04 0.00 2.01 0.00 0.00 34.83 35.90 1z8r s MET 126 CO 0.00 0.07 -0.11 0.20 -0.01 0.00 0.00 175.02 175.17 1z8r s GLY 127 N -3.30 1.02 0.00 -0.03 0.00 -1.26 0.81 107.32 104.56 1z8r s GLY 127 Ca 0.24 -1.38 0.00 0.00 0.00 0.00 0.00 44.72 43.57 1z8r s GLY 127 CO 0.07 -1.47 0.00 0.61 0.00 0.00 0.00 173.10 172.31 1z8r n GLY 128 N 0.13 4.95 0.25 0.20 0.00 -0.98 -4.83 105.19 104.90 1z8r n GLY 128 Ca -0.13 -1.91 0.16 0.00 0.00 0.00 0.00 46.02 44.14 1z8r n GLY 128 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1z8r h GLU 129 N 0.00 0.00 0.00 1.61 5.08 -1.97 -3.37 114.58 115.92 1z8r h GLU 129 Ca 0.00 0.00 -0.06 0.00 -1.00 0.00 0.00 59.36 58.30 1z8r h GLU 129 Cb 0.00 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 29.19 1z8r h GLU 129 CO 0.00 0.00 -0.14 0.41 -1.00 0.00 0.00 179.01 178.28 1z8r n GLY 130 N 0.23 0.14 3.25 -3.84 0.00 -1.26 -4.90 105.19 98.81 1z8r n GLY 130 Ca 0.01 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.87 1z8r n GLY 130 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1z8r s VAL 131 N 0.00 1.30 -0.23 1.61 1.01 -1.26 -1.81 120.40 121.01 1z8r s VAL 131 Ca 0.00 -1.88 -0.03 0.00 0.00 0.00 0.00 61.98 60.07 1z8r s VAL 131 Cb 0.00 -1.68 0.01 0.00 0.00 0.00 0.00 36.38 34.71 1z8r s VAL 131 CO 0.00 -0.55 -0.04 -0.69 0.00 0.00 0.00 175.10 173.81 1z8r s VAL 132 N -2.64 3.21 -0.25 2.92 1.01 0.44 -2.33 120.40 122.77 1z8r s VAL 132 Ca 0.13 -0.70 -0.11 0.00 0.00 0.00 0.00 61.98 61.29 1z8r s VAL 132 Cb -0.02 -2.53 -0.05 0.00 0.00 0.00 0.00 36.38 33.78 1z8r s VAL 132 CO 0.02 0.33 0.21 -0.83 0.00 0.00 0.00 175.10 174.83 1z8r s GLY 133 N 1.42 1.98 -0.02 4.51 0.00 0.24 0.01 107.32 115.46 1z8r s GLY 133 Ca 0.04 -0.89 0.06 0.00 0.00 0.00 0.00 44.72 43.93 1z8r s GLY 133 CO -0.04 0.53 -0.19 -1.36 0.00 0.00 0.00 173.10 172.04 1z8r s PHE 134 N 1.29 1.75 -0.49 1.90 0.08 0.28 0.07 117.98 122.86 1z8r s PHE 134 Ca 0.09 -0.36 -0.23 0.00 0.12 0.00 0.00 56.93 56.56 1z8r s PHE 134 Cb -0.14 -1.13 0.03 0.00 -0.57 0.00 0.00 43.02 41.21 1z8r s PHE 134 CO 0.07 -0.05 0.80 0.00 -0.10 0.00 0.00 175.22 175.93 1z8r s ALA 135 N -0.38 3.27 0.41 5.36 0.00 0.10 0.65 121.76 131.16 1z8r s ALA 135 Ca 0.06 -1.19 -0.26 0.00 0.00 0.00 0.00 51.96 50.57 1z8r s ALA 135 Cb -0.08 -3.52 -0.08 0.00 0.00 0.00 0.00 23.12 19.43 1z8r s ALA 135 CO -0.00 -2.06 1.25 0.34 0.00 0.00 0.00 175.76 175.28 1z8r s ASP 136 N 2.41 6.36 0.00 0.00 -1.08 -0.98 -1.86 116.67 121.52 1z8r s ASP 136 Ca 0.27 2.53 0.21 0.00 -0.52 0.00 0.00 52.55 55.04 1z8r s ASP 136 Cb -0.13 -2.63 0.47 0.00 -1.46 0.00 0.00 42.92 39.17 1z8r s ASP 136 CO 0.20 -0.80 1.40 0.52 0.52 0.00 0.00 175.17 177.01 1z8r n VAL 137 N 0.07 0.72 0.86 1.11 0.31 0.29 -4.34 118.33 117.33 1z8r n VAL 137 Ca 0.04 -0.86 0.09 0.00 -0.01 0.00 0.00 64.34 63.61 1z8r n VAL 137 Cb 0.45 0.77 0.46 0.00 -0.91 0.00 0.00 33.84 34.61 1z8r n VAL 137 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 1z8r n ARG 138 N 1.38 0.23 0.00 5.55 5.12 -1.26 -2.31 116.66 125.37 1z8r n ARG 138 Ca 0.19 0.12 0.12 0.00 -1.93 0.00 0.00 57.85 56.35 1z8r n ARG 138 Cb 0.57 -1.50 0.15 0.00 -1.16 0.00 0.00 32.46 30.52 1z8r n ARG 138 CO 0.00 0.00 0.00 -3.47 -1.93 0.00 0.00 177.63 172.23 1z8r n ASP 139 N -1.31 2.31 -2.83 0.55 -0.08 -1.26 -4.53 116.55 109.39 1z8r n ASP 139 Ca 0.08 -1.68 -0.11 0.00 -1.51 0.00 0.00 54.79 51.58 1z8r n ASP 139 Cb 0.16 0.16 0.05 0.00 2.34 0.00 0.00 41.12 43.83 1z8r n ASP 139 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1z8r n LEU 140 N 0.57 -2.00 0.10 -2.67 -0.00 -0.98 -4.97 117.00 107.05 1z8r n LEU 140 Ca 0.13 -3.78 0.13 0.00 -0.00 0.00 0.00 56.01 52.49 1z8r n LEU 140 Cb 0.50 0.85 0.43 0.00 -0.00 0.00 0.00 43.42 45.21 1z8r n LEU 140 CO 0.20 2.07 0.88 -0.11 -0.00 0.00 0.00 177.39 180.44 1z8r n LEU 141 N 0.94 0.74 -4.40 1.47 -0.00 -1.20 -4.69 117.00 109.85 1z8r n LEU 141 Ca 0.10 0.59 -0.10 0.00 -0.00 0.00 0.00 56.01 56.61 1z8r n LEU 141 Cb 0.65 -0.39 -0.08 0.00 -0.00 0.00 0.00 43.42 43.60 1z8r n LEU 141 CO 0.07 -0.26 1.05 -2.67 -0.00 0.00 0.00 177.39 175.58 1z8r n TRP 142 N -2.22 0.62 0.00 1.96 4.27 -1.26 -3.27 117.44 117.54 1z8r n TRP 142 Ca 0.05 -0.11 0.00 0.00 -3.89 0.00 0.00 57.50 53.55 1z8r n TRP 142 Cb 0.38 -1.95 0.00 0.00 -1.36 0.00 0.00 31.31 28.38 1z8r n TRP 142 CO 0.00 0.00 0.00 1.28 -2.29 0.00 0.00 177.69 176.68 1z8r n LEU 143 N 15.20 0.00 0.00 5.67 4.32 -1.26 -4.97 117.00 135.96 1z8r n LEU 143 Ca 0.29 0.00 -0.01 0.00 -0.02 0.00 0.00 56.01 56.26 1z8r n LEU 143 Cb 0.48 0.27 0.00 0.00 -1.62 0.00 0.00 43.42 42.55 1z8r n LEU 143 CO 0.56 -0.41 0.05 -0.62 -1.22 0.00 0.00 177.39 175.75 1z8r n GLU 144 N -2.32 0.12 -1.73 3.23 1.02 -1.20 -4.40 120.64 115.35 1z8r n GLU 144 Ca 0.00 -0.28 -0.40 0.00 -0.02 0.00 0.00 57.16 56.46 1z8r n GLU 144 Cb 0.00 0.32 0.03 0.00 -0.02 0.00 0.00 31.44 31.77 1z8r n GLU 144 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 1z8r n ASP 145 N -1.37 2.81 -4.81 1.62 2.03 -1.26 -5.01 116.55 110.55 1z8r n ASP 145 Ca -0.01 1.05 -0.27 0.00 0.52 0.00 0.00 54.79 56.09 1z8r n ASP 145 Cb 0.07 -1.56 -0.05 0.00 -0.72 0.00 0.00 41.12 38.86 1z8r n ASP 145 CO 0.00 0.00 0.00 1.51 -1.92 0.00 0.00 177.20 176.79 1z8r s ASP 146 N -0.67 5.63 0.02 1.67 -4.77 -1.26 -4.51 116.67 112.78 1z8r s ASP 146 Ca 0.65 -0.07 -0.20 0.00 -3.30 0.00 0.00 52.55 49.63 1z8r s ASP 146 Cb -0.45 -1.51 -0.06 0.00 -1.09 0.00 0.00 42.92 39.81 1z8r s ASP 146 CO 0.54 0.08 0.58 0.00 0.70 0.00 0.00 175.17 177.07 1z8r s ALA 147 N -1.70 3.52 0.50 2.11 0.00 -1.16 -4.84 121.76 120.20 1z8r s ALA 147 Ca 0.31 0.02 0.02 0.00 0.00 0.00 0.00 51.96 52.31 1z8r s ALA 147 Cb -0.10 -2.70 -0.02 0.00 0.00 0.00 0.00 23.12 20.30 1z8r s ALA 147 CO 0.24 0.25 0.03 -1.64 0.00 0.00 0.00 175.76 174.63 1z8r s MET 148 N -0.50 2.18 -0.15 0.00 -1.94 -1.26 -1.82 119.30 115.82 1z8r s MET 148 Ca 0.30 -2.35 0.10 0.00 -1.71 0.00 0.00 55.69 52.03 1z8r s MET 148 Cb -0.19 -1.58 -0.16 0.00 2.01 0.00 0.00 34.83 34.92 1z8r s MET 148 CO 0.18 -0.35 0.00 -1.91 -0.01 0.00 0.00 175.02 172.93 1z8r n GLU 149 N -1.27 1.45 0.00 2.03 4.07 -1.26 -4.99 120.64 120.67 1z8r n GLU 149 Ca -0.17 0.02 0.02 0.00 -0.06 0.00 0.00 57.16 56.97 1z8r n GLU 149 Cb 0.67 -1.35 0.10 0.00 -0.06 0.00 0.00 31.44 30.80 1z8r n GLU 149 CO 0.00 0.00 0.00 1.04 -0.06 0.00 0.00 177.13 178.11