#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 2.41 0.24 1.61 0.04 -1.26 -5.03 135.00 133.01 1z8r s PRO 2 Ca 0.00 1.22 -0.19 0.00 0.04 0.00 0.00 61.00 62.07 1z8r s PRO 2 Cb 0.00 -1.91 -0.08 0.00 0.04 0.00 0.00 34.50 32.54 1z8r s PRO 2 CO 0.00 -1.53 0.73 1.52 0.04 0.00 0.00 177.00 177.76 1z8r s TYR 3 N -2.76 3.61 0.16 0.56 -0.85 -1.26 -5.08 117.35 111.73 1z8r s TYR 3 Ca 0.63 1.38 0.09 0.00 -0.52 0.00 0.00 57.07 58.64 1z8r s TYR 3 Cb -0.18 -2.62 -0.04 0.00 0.38 0.00 0.00 41.96 39.50 1z8r s TYR 3 CO 0.52 0.30 -0.12 0.20 -1.52 0.00 0.00 175.55 174.92 1z8r s GLY 4 N -1.74 1.73 0.10 5.49 0.00 -1.26 -5.14 107.32 106.51 1z8r s GLY 4 Ca 0.45 -1.43 -0.12 0.00 0.00 0.00 0.00 44.72 43.62 1z8r s GLY 4 CO 0.21 -1.43 0.28 -2.38 0.00 0.00 0.00 173.10 169.77 1z8r s HIS 5 N -1.51 0.01 0.04 1.90 -3.43 -1.26 -5.18 115.29 105.85 1z8r s HIS 5 Ca 0.23 -0.39 -0.15 0.00 -0.80 0.00 0.00 55.06 53.94 1z8r s HIS 5 Cb -0.09 0.07 0.02 0.00 -1.43 0.00 0.00 32.58 31.15 1z8r s HIS 5 CO 0.13 -0.61 0.34 -1.14 -2.00 0.00 0.00 174.74 171.46 1z8r s GLN 6 N -3.84 0.83 0.51 -0.38 0.74 -1.26 -5.18 119.66 111.08 1z8r s GLN 6 Ca 0.04 -0.44 0.01 0.00 0.05 0.00 0.00 55.36 55.02 1z8r s GLN 6 Cb 0.04 0.36 -0.01 0.00 1.10 0.00 0.00 33.01 34.50 1z8r s GLN 6 CO -0.11 -0.27 0.00 -1.54 -0.55 0.00 0.00 175.29 172.82 1z8r s SER 7 N -2.00 4.11 0.00 6.67 1.04 -1.26 -4.78 113.70 117.48 1z8r s SER 7 Ca -0.06 -1.65 0.00 0.00 0.48 0.00 0.00 55.95 54.73 1z8r s SER 7 Cb -0.01 0.50 0.00 0.00 0.10 0.00 0.00 66.02 66.60 1z8r s SER 7 CO -0.03 -0.84 0.00 0.61 0.98 0.00 0.00 173.24 173.96 1z8r n GLY 8 N -1.25 2.94 0.00 7.32 0.00 -1.26 -5.01 105.19 107.93 1z8r n GLY 8 Ca -0.19 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.83 1z8r n GLY 8 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1z8r n ALA 9 N -0.06 0.00 -4.01 4.61 0.00 -1.26 -4.29 120.51 115.50 1z8r n ALA 9 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 53.44 53.14 1z8r n ALA 9 Cb 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 19.45 19.29 1z8r n ALA 9 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1z8r s VAL 10 N 0.30 1.57 -0.32 0.00 0.11 -1.02 -4.96 120.40 116.08 1z8r s VAL 10 Ca 0.00 -0.68 -0.13 0.00 -2.93 0.00 0.00 61.98 58.23 1z8r s VAL 10 Cb 0.00 -1.50 -0.03 0.00 -1.53 0.00 0.00 36.38 33.32 1z8r s VAL 10 CO 0.00 0.41 0.28 -0.47 -3.33 0.00 0.00 175.10 171.99 1z8r s TYR 11 N 1.48 3.22 -0.10 1.54 5.04 -1.26 -2.12 117.35 125.15 1z8r s TYR 11 Ca 0.04 0.00 0.04 0.00 -2.44 0.00 0.00 57.07 54.71 1z8r s TYR 11 Cb -0.13 -2.52 0.00 0.00 0.35 0.00 0.00 41.96 39.66 1z8r s TYR 11 CO -0.10 -0.31 -0.24 0.08 -1.34 0.00 0.00 175.55 173.64 1z8r s VAL 12 N 1.86 2.05 0.00 3.14 1.01 0.30 -2.09 120.40 126.67 1z8r s VAL 12 Ca 0.09 -1.01 0.00 0.00 0.00 0.00 0.00 61.98 61.06 1z8r s VAL 12 Cb -0.17 -1.77 0.00 0.00 0.00 0.00 0.00 36.38 34.44 1z8r s VAL 12 CO 0.11 0.56 0.00 0.61 0.00 0.00 0.00 175.10 176.38 1z8r n GLY 13 N 3.52 2.82 1.85 4.51 0.00 -1.26 0.10 105.19 116.73 1z8r n GLY 13 Ca -0.19 0.16 0.07 0.00 0.00 0.00 0.00 46.02 46.06 1z8r n GLY 13 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1z8r n ASN 14 N 3.36 5.58 -4.20 1.61 3.02 -1.26 -3.48 115.26 119.89 1z8r n ASN 14 Ca 0.00 -2.89 -0.18 0.00 -0.03 0.00 0.00 54.58 51.48 1z8r n ASN 14 Cb 0.00 -0.68 -0.12 0.00 -0.61 0.00 0.00 39.78 38.37 1z8r n ASN 14 CO 0.00 0.00 0.00 -0.31 -2.62 0.00 0.00 177.26 174.33 1z8r s TYR 15 N -2.68 1.29 -0.12 3.10 2.02 0.12 -2.15 117.35 118.93 1z8r s TYR 15 Ca 0.53 -0.51 -0.03 0.00 -0.37 0.00 0.00 57.07 56.69 1z8r s TYR 15 Cb 0.40 -0.70 0.05 0.00 -0.40 0.00 0.00 41.96 41.30 1z8r s TYR 15 CO 0.16 0.09 0.06 0.21 -1.57 0.00 0.00 175.55 174.49 1z8r s LYS 16 N -2.17 0.18 -0.25 -0.62 2.36 0.11 -0.54 119.74 118.81 1z8r s LYS 16 Ca 0.03 0.05 -0.09 0.00 -2.55 0.00 0.00 55.97 53.41 1z8r s LYS 16 Cb -0.08 -1.31 -0.04 0.00 -1.05 0.00 0.00 37.83 35.36 1z8r s LYS 16 CO 0.02 -0.50 0.13 0.14 1.55 0.00 0.00 175.35 176.69 1z8r s VAL 17 N 2.09 4.91 0.11 4.02 -7.23 -0.90 -1.64 120.40 121.74 1z8r s VAL 17 Ca 0.03 0.03 0.01 0.00 -1.81 0.00 0.00 61.98 60.24 1z8r s VAL 17 Cb -0.14 -3.30 -0.04 0.00 0.56 0.00 0.00 36.38 33.45 1z8r s VAL 17 CO -0.06 0.32 -0.04 0.54 -0.31 0.00 0.00 175.10 175.55 1z8r s VAL 18 N 1.42 0.60 0.36 1.32 0.11 -0.93 -2.42 120.40 120.86 1z8r s VAL 18 Ca 0.06 -1.93 -0.28 0.00 -2.93 0.00 0.00 61.98 56.90 1z8r s VAL 18 Cb -0.15 -1.76 -0.11 0.00 -1.53 0.00 0.00 36.38 32.84 1z8r s VAL 18 CO 0.06 -0.80 1.40 0.20 -3.33 0.00 0.00 175.10 172.63 1z8r s ASN 19 N -3.05 6.54 0.30 3.54 -0.87 -1.26 -2.31 114.94 117.83 1z8r s ASN 19 Ca 0.14 2.88 0.01 0.00 -1.57 0.00 0.00 52.86 54.31 1z8r s ASN 19 Cb 0.06 -2.66 0.52 0.00 -0.02 0.00 0.00 41.25 39.15 1z8r s ASN 19 CO -0.04 -0.72 1.90 0.08 -2.57 0.00 0.00 177.10 175.76 1z8r h ARG 20 N 3.17 1.01 0.00 -0.60 0.11 -0.31 0.28 114.38 118.05 1z8r h ARG 20 Ca -0.50 -0.06 0.00 0.00 0.10 0.00 0.00 59.98 59.52 1z8r h ARG 20 Cb 1.23 -0.23 0.00 0.00 1.11 0.00 0.00 29.97 32.09 1z8r h ARG 20 CO 0.65 0.67 0.00 1.58 0.10 0.00 0.00 179.97 182.96 1z8r n HIS 21 N -4.50 0.08 0.37 4.08 -0.00 -1.26 -2.28 115.22 111.70 1z8r n HIS 21 Ca 0.14 0.03 0.04 0.00 0.46 0.00 0.00 57.72 58.39 1z8r n HIS 21 Cb 0.22 -0.55 -0.02 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 -1.57 0.79 -4.83 0.27 7.94 0.76 -5.02 117.00 115.35 1z8r n LEU 22 Ca 0.03 -0.66 -0.33 0.00 -1.11 0.00 0.00 56.01 53.95 1z8r n LEU 22 Cb 0.17 0.00 -0.06 0.00 0.53 0.00 0.00 43.42 44.06 1z8r n LEU 22 CO 0.14 0.17 0.64 0.00 -1.11 0.00 0.00 177.39 177.23 1z8r s ALA 23 N -1.43 3.06 0.40 1.96 0.00 0.13 -4.91 121.76 120.98 1z8r s ALA 23 Ca 0.05 0.34 0.08 0.00 0.00 0.00 0.00 51.96 52.43 1z8r s ALA 23 Cb 0.06 -3.12 -0.01 0.00 0.00 0.00 0.00 23.12 20.05 1z8r s ALA 23 CO 0.26 0.09 0.45 0.95 0.00 0.00 0.00 175.76 177.50 1z8r s THR 24 N -2.24 2.97 0.54 0.00 -4.23 -1.26 -4.95 115.64 106.47 1z8r s THR 24 Ca 0.61 -1.19 0.26 0.00 -1.18 0.00 0.00 61.69 60.19 1z8r s THR 24 Cb -0.09 -3.05 0.40 0.00 1.34 0.00 0.00 72.50 71.10 1z8r s THR 24 CO 0.16 -0.03 1.99 1.12 -0.54 0.00 0.00 174.62 177.32 1z8r h HIS 25 N 0.90 0.00 -0.01 3.99 2.07 -1.99 0.18 115.15 120.28 1z8r h HIS 25 Ca -0.41 0.00 -0.16 0.00 -2.85 0.00 0.00 60.37 56.94 1z8r h HIS 25 Cb 1.27 0.00 -0.02 0.00 2.57 0.00 0.00 27.41 31.23 1z8r h HIS 25 CO 0.47 0.00 -0.74 0.28 -3.07 0.00 0.00 177.93 174.87 1z8r h VAL 26 N 0.00 1.48 -0.33 6.12 2.07 -1.98 -0.55 116.25 123.07 1z8r h VAL 26 Ca 0.25 -2.40 -0.07 0.00 0.82 0.00 0.00 66.70 65.31 1z8r h VAL 26 Cb 1.03 2.29 -0.01 0.00 -1.52 0.00 0.00 31.29 33.08 1z8r h VAL 26 CO -0.00 0.69 -0.06 0.44 0.02 0.00 0.00 177.57 178.66 1z8r h ASP 27 N 0.07 0.62 0.69 0.57 3.32 -1.02 -2.57 116.42 118.10 1z8r h ASP 27 Ca -0.02 -0.35 -0.15 0.00 0.02 0.00 0.00 57.03 56.53 1z8r h ASP 27 Cb 1.30 -0.17 -0.02 0.00 0.22 0.00 0.00 39.33 40.66 1z8r h ASP 27 CO 0.10 0.83 -0.70 -0.50 -1.72 0.00 0.00 179.24 177.25 1z8r h TRP 28 N 0.40 0.02 -0.63 4.55 6.55 -1.45 -0.85 115.95 124.54 1z8r h TRP 28 Ca 0.08 -0.01 0.04 0.00 0.95 0.00 0.00 58.89 59.95 1z8r h TRP 28 Cb 0.55 -0.00 -0.04 0.00 -0.86 0.00 0.00 29.16 28.80 1z8r h TRP 28 CO 0.05 0.71 0.38 0.37 -1.05 0.00 0.00 178.44 178.89 1z8r h GLN 29 N 0.01 0.70 -0.40 0.49 5.75 -0.87 -2.44 115.11 118.36 1z8r h GLN 29 Ca -0.01 -0.04 -0.19 0.00 -0.15 0.00 0.00 58.65 58.26 1z8r h GLN 29 Cb 1.24 -0.16 -0.11 0.00 1.07 0.00 0.00 27.48 29.52 1z8r h GLN 29 CO 0.09 0.47 -0.02 0.09 -2.65 0.00 0.00 178.83 176.81 1z8r n ASN 30 N -4.74 2.69 -4.73 -0.69 4.13 -0.99 -5.02 115.26 105.91 1z8r n ASN 30 Ca 0.06 -3.70 -0.41 0.00 1.68 0.00 0.00 54.58 52.22 1z8r n ASN 30 Cb 0.11 -0.65 -0.05 0.00 -1.54 0.00 0.00 39.78 37.65 1z8r n ASN 30 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1z8r n VAL 32 N 2.42 1.64 -4.02 0.00 0.24 0.29 -4.95 118.33 113.95 1z8r n VAL 32 Ca 0.01 -0.55 -0.09 0.00 -2.04 0.00 0.00 64.34 61.67 1z8r n VAL 32 Cb 0.49 -1.66 -0.11 0.00 -1.47 0.00 0.00 33.84 31.09 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 -2.52 0.37 -0.30 6.34 -0.00 -1.05 -4.98 118.94 116.80 1z8r s TRP 33 Ca -0.29 -0.70 -0.06 0.00 -0.00 0.00 0.00 56.10 55.05 1z8r s TRP 33 Cb 0.08 -0.27 0.18 0.00 -0.00 0.00 0.00 33.47 33.46 1z8r s TRP 33 CO 0.67 -0.24 0.76 -2.00 -0.00 0.00 0.00 176.95 176.14 1z8r s GLU 34 N -2.25 0.44 -0.19 5.86 -6.30 -1.26 0.73 118.70 115.72 1z8r s GLU 34 Ca -0.08 0.84 -0.06 0.00 -2.50 0.00 0.00 54.97 53.17 1z8r s GLU 34 Cb -0.04 0.48 -0.03 0.00 0.00 0.00 0.00 34.13 34.53 1z8r s GLU 34 CO -0.04 -0.42 0.01 0.16 0.02 0.00 0.00 175.26 175.00 1z8r s ASP 35 N 2.86 5.04 0.27 -1.70 -4.77 -0.26 -4.98 116.67 113.14 1z8r s ASP 35 Ca 0.10 -0.12 0.02 0.00 -3.30 0.00 0.00 52.55 49.25 1z8r s ASP 35 Cb -0.13 -1.86 0.39 0.00 -1.09 0.00 0.00 42.92 40.24 1z8r s ASP 35 CO -0.18 0.10 1.70 0.10 0.70 0.00 0.00 175.17 177.60 1z8r h TYR 36 N 7.21 0.53 -0.01 2.11 -0.00 -1.96 0.35 116.97 125.22 1z8r h TYR 36 Ca -0.35 -0.12 0.00 0.00 0.00 0.00 0.00 58.73 58.26 1z8r h TYR 36 Cb 1.18 -0.13 -0.00 0.00 0.00 0.00 0.00 36.73 37.78 1z8r h TYR 36 CO 0.58 0.71 0.01 -2.95 -0.00 0.00 0.00 178.16 176.51 1z8r h ASN 37 N 0.41 0.00 -0.00 0.10 7.08 -1.92 -1.62 115.58 119.63 1z8r h ASN 37 Ca 0.06 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 53.28 1z8r h ASN 37 Cb 0.71 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 36.95 1z8r h ASN 37 CO 0.05 0.00 -0.05 -1.14 -2.08 0.00 0.00 177.43 174.21 1z8r n ARG 38 N -3.48 2.04 -3.24 4.14 3.00 -0.94 0.31 116.66 118.48 1z8r n ARG 38 Ca -0.03 -0.42 -0.21 0.00 -0.00 0.00 0.00 57.85 57.19 1z8r n ARG 38 Cb 0.09 -0.89 -0.01 0.00 0.00 0.00 0.00 32.46 31.65 1z8r n ARG 38 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.63 177.38 1z8r n ASP 39 N -0.31 -3.46 -4.31 6.15 9.92 0.12 -4.89 116.55 119.77 1z8r n ASP 39 Ca 0.01 -0.29 -0.23 0.00 -0.53 0.00 0.00 54.79 53.75 1z8r n ASP 39 Cb 0.06 -2.89 -0.12 0.00 -0.64 0.00 0.00 41.12 37.54 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 -6.31 2.37 0.04 0.64 2.96 -0.99 0.48 118.68 117.88 1z8r s LEU 40 Ca 0.34 -0.78 -0.05 0.00 -0.22 0.00 0.00 54.13 53.42 1z8r s LEU 40 Cb -0.18 -0.87 -0.01 0.00 0.50 0.00 0.00 46.19 45.63 1z8r s LEU 40 CO 0.42 0.02 0.10 -1.48 -1.32 0.00 0.00 176.35 174.08 1z8r s LEU 41 N -2.29 1.82 -0.09 -0.68 -0.00 -0.98 -1.10 118.68 115.36 1z8r s LEU 41 Ca 0.11 -0.59 0.04 0.00 -0.00 0.00 0.00 54.13 53.69 1z8r s LEU 41 Cb -0.08 0.62 0.00 0.00 -0.00 0.00 0.00 46.19 46.73 1z8r s LEU 41 CO 0.06 -0.54 -0.22 -0.69 -0.00 0.00 0.00 176.35 174.95 1z8r s VAL 42 N -2.88 1.91 0.22 1.48 1.01 0.22 -2.19 120.40 120.18 1z8r s VAL 42 Ca -0.03 -0.94 0.11 0.00 0.00 0.00 0.00 61.98 61.12 1z8r s VAL 42 Cb 0.00 -1.66 -0.05 0.00 0.00 0.00 0.00 36.38 34.68 1z8r s VAL 42 CO -0.06 0.53 -0.20 -0.94 0.00 0.00 0.00 175.10 174.43 1z8r s SER 43 N 0.36 3.22 -0.22 3.32 1.04 -0.65 0.10 113.70 120.87 1z8r s SER 43 Ca -0.17 -0.94 -0.13 0.00 0.48 0.00 0.00 55.95 55.18 1z8r s SER 43 Cb -0.17 -0.23 -0.04 0.00 0.10 0.00 0.00 66.02 65.67 1z8r s SER 43 CO 0.08 0.02 0.27 0.42 0.98 0.00 0.00 173.24 175.01 1z8r s THR 44 N -2.22 5.28 -0.11 2.02 -4.23 -1.10 0.10 115.64 115.38 1z8r s THR 44 Ca 0.23 0.43 0.12 0.00 -1.18 0.00 0.00 61.69 61.28 1z8r s THR 44 Cb -0.05 -3.61 -0.24 0.00 1.34 0.00 0.00 72.50 69.94 1z8r s THR 44 CO 0.11 0.30 0.42 0.35 -0.54 0.00 0.00 174.62 175.26 1z8r n THR 45 N 4.32 1.56 -3.14 3.99 -2.24 -0.91 -4.98 114.28 112.89 1z8r n THR 45 Ca -0.12 -0.79 -0.18 0.00 -2.27 0.00 0.00 64.05 60.70 1z8r n THR 45 Cb 0.52 -0.97 0.05 0.00 -2.10 0.00 0.00 70.33 67.82 1z8r n THR 45 CO 0.00 0.00 0.00 0.41 -0.57 0.00 0.00 175.07 174.91 1z8r n THR 46 N -3.02 -1.98 -4.20 4.28 -1.04 -1.25 -5.00 114.28 102.06 1z8r n THR 46 Ca -0.24 0.00 -0.12 0.00 -2.04 0.00 0.00 64.05 61.65 1z8r n THR 46 Cb 1.08 -3.20 -0.04 0.00 -1.82 0.00 0.00 70.33 66.34 1z8r n THR 46 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1z8r n ALA 47 N -3.90 0.37 -2.28 2.41 0.00 -1.26 -5.09 120.51 110.76 1z8r n ALA 47 Ca -0.03 -1.11 -0.42 0.00 0.00 0.00 0.00 53.44 51.88 1z8r n ALA 47 Cb 0.56 0.85 -0.03 0.00 0.00 0.00 0.00 19.45 20.83 1z8r n ALA 47 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.50 176.49 1z8r s HIS 48 N -2.63 2.99 1.24 0.00 0.09 -1.26 -4.33 115.29 111.38 1z8r s HIS 48 Ca 0.19 0.94 -0.17 0.00 -0.00 0.00 0.00 55.06 56.02 1z8r s HIS 48 Cb 0.01 -3.60 0.30 0.00 -0.00 0.00 0.00 32.58 29.29 1z8r s HIS 48 CO 0.13 -2.13 1.01 0.20 -0.00 0.00 0.00 174.74 173.95 1z8r s GLY 49 N 1.69 1.50 0.00 -2.22 0.00 -1.23 -4.86 107.32 102.21 1z8r s GLY 49 Ca 0.62 -0.49 0.00 0.00 0.00 0.00 0.00 44.72 44.85 1z8r s GLY 49 CO 0.26 0.34 0.00 0.00 0.00 0.00 0.00 173.10 173.70 1z8r s ASP 51 N -2.66 5.91 -0.18 0.00 1.01 -0.89 -4.98 116.67 114.88 1z8r s ASP 51 Ca 0.00 2.41 0.01 0.00 0.71 0.00 0.00 52.55 55.68 1z8r s ASP 51 Cb 0.00 -2.61 0.02 0.00 1.01 0.00 0.00 42.92 41.35 1z8r s ASP 51 CO 0.00 -1.10 -0.18 -0.89 0.21 0.00 0.00 175.17 173.21 1z8r s THR 52 N -1.50 1.97 0.25 -1.27 2.01 -1.26 -4.47 115.64 111.38 1z8r s THR 52 Ca 0.66 -0.95 -0.30 0.00 0.31 0.00 0.00 61.69 61.42 1z8r s THR 52 Cb -0.31 -1.83 -0.09 0.00 0.01 0.00 0.00 72.50 70.28 1z8r s THR 52 CO 0.37 0.47 1.04 -0.63 -0.69 0.00 0.00 174.62 175.18 1z8r s ILE 53 N 1.31 3.74 -0.30 1.82 -1.09 -1.26 0.48 121.20 125.91 1z8r s ILE 53 Ca 0.04 1.73 -0.11 0.00 -2.23 0.00 0.00 60.65 60.07 1z8r s ILE 53 Cb -0.14 -4.10 -0.04 0.00 -1.58 0.00 0.00 42.46 36.61 1z8r s ILE 53 CO -0.12 0.40 0.19 0.00 -1.23 0.00 0.00 174.94 174.19 1z8r s ALA 54 N -1.07 3.48 -0.39 9.38 0.00 0.10 -4.01 121.76 129.25 1z8r s ALA 54 Ca 0.44 -1.19 -0.02 0.00 0.00 0.00 0.00 51.96 51.18 1z8r s ALA 54 Cb -0.29 -2.49 0.20 0.00 0.00 0.00 0.00 23.12 20.53 1z8r s ALA 54 CO 0.37 -0.69 2.22 0.54 0.00 0.00 0.00 175.76 178.20 1z8r n ARG 55 N 5.06 2.04 -3.26 0.00 1.74 -1.24 -4.66 116.66 116.33 1z8r n ARG 55 Ca -0.14 -1.93 -0.18 0.00 -0.77 0.00 0.00 57.85 54.83 1z8r n ARG 55 Cb 0.51 -1.81 0.00 0.00 -1.02 0.00 0.00 32.46 30.14 1z8r n ARG 55 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1z8r n GLN 57 N -1.75 3.34 -2.35 0.00 7.27 -1.26 -5.04 117.38 117.60 1z8r n GLN 57 Ca 0.03 -3.97 -0.42 0.00 0.07 0.00 0.00 57.00 52.71 1z8r n GLN 57 Cb 0.58 -2.24 -0.03 0.00 2.41 0.00 0.00 30.24 30.96 1z8r n GLN 57 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1z8r n THR 59 N 4.22 0.91 -4.17 0.00 -1.04 -1.26 -4.73 114.28 108.20 1z8r n THR 59 Ca 0.11 0.25 -0.23 0.00 -2.04 0.00 0.00 64.05 62.14 1z8r n THR 59 Cb 0.45 -1.13 -0.06 0.00 -1.82 0.00 0.00 70.33 67.78 1z8r n THR 59 CO 0.00 0.00 0.00 0.42 -0.64 0.00 0.00 175.07 174.85 1z8r s THR 60 N -3.21 4.09 -0.27 12.58 -4.23 -1.26 -1.73 115.64 121.61 1z8r s THR 60 Ca 0.05 -1.54 -0.29 0.00 -1.18 0.00 0.00 61.69 58.73 1z8r s THR 60 Cb 0.09 -3.19 0.18 0.00 1.34 0.00 0.00 72.50 70.93 1z8r s THR 60 CO 0.34 -0.32 1.31 -0.83 -0.54 0.00 0.00 174.62 174.57 1z8r s GLY 61 N -3.67 0.06 -0.12 3.99 0.00 -0.24 -4.92 107.32 102.42 1z8r s GLY 61 Ca 0.32 2.79 -0.04 0.00 0.00 0.00 0.00 44.72 47.78 1z8r s GLY 61 CO 0.23 1.19 0.04 0.54 0.00 0.00 0.00 173.10 175.10 1z8r s VAL 62 N -0.90 4.61 0.01 1.40 0.11 -0.84 0.90 120.40 125.68 1z8r s VAL 62 Ca 0.07 -0.12 0.06 0.00 -2.93 0.00 0.00 61.98 59.06 1z8r s VAL 62 Cb -0.01 -2.99 -0.02 0.00 -1.53 0.00 0.00 36.38 31.82 1z8r s VAL 62 CO -0.07 0.56 -0.20 -0.72 -3.33 0.00 0.00 175.10 171.34 1z8r s TYR 63 N -0.47 1.75 -0.06 1.54 -0.85 0.25 -2.02 117.35 117.49 1z8r s TYR 63 Ca 0.09 -0.35 -0.33 0.00 -0.52 0.00 0.00 57.07 55.96 1z8r s TYR 63 Cb -0.12 -1.09 -0.11 0.00 0.38 0.00 0.00 41.96 41.02 1z8r s TYR 63 CO 0.02 0.02 1.91 0.34 -1.52 0.00 0.00 175.55 176.32 1z8r n PHE 64 N 2.29 2.38 -2.25 -3.49 7.35 -1.26 -2.30 117.46 120.18 1z8r n PHE 64 Ca -0.16 -0.10 -0.40 0.00 -0.76 0.00 0.00 57.45 56.03 1z8r n PHE 64 Cb 0.53 -2.70 -0.03 0.00 0.35 0.00 0.00 39.48 37.63 1z8r n PHE 64 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 1z8r h ALA 66 N 3.51 0.14 -0.01 0.00 0.00 -1.82 -3.36 119.26 117.72 1z8r h ALA 66 Ca -0.48 -1.00 -0.15 0.00 0.00 0.00 0.00 54.91 53.28 1z8r h ALA 66 Cb 1.22 0.42 -0.02 0.00 0.00 0.00 0.00 17.79 19.41 1z8r h ALA 66 CO 0.66 0.68 -0.71 0.66 0.00 0.00 0.00 179.25 180.53 1z8r h SER 67 N -0.46 0.06 -3.24 0.00 4.64 -1.87 -3.45 113.55 109.22 1z8r h SER 67 Ca -0.26 -0.04 -0.64 0.00 -0.47 0.00 0.00 61.79 60.37 1z8r h SER 67 Cb 1.62 -0.02 -0.16 0.00 -0.31 0.00 0.00 62.40 63.53 1z8r h SER 67 CO 0.03 0.75 -0.75 -0.75 -0.87 0.00 0.00 176.83 175.24 1z8r s LYS 68 N -3.43 1.96 -0.47 4.77 2.20 -1.26 -5.03 119.74 118.48 1z8r s LYS 68 Ca -0.01 -1.24 0.00 0.00 -0.36 0.00 0.00 55.97 54.35 1z8r s LYS 68 Cb 0.12 -2.14 0.43 0.00 -1.51 0.00 0.00 37.83 34.73 1z8r s LYS 68 CO 0.78 0.45 1.92 0.43 -0.36 0.00 0.00 175.35 178.57 1z8r n SER 69 N 0.31 5.88 -4.46 1.43 7.64 -1.26 -4.09 113.62 119.06 1z8r n SER 69 Ca -0.12 -3.43 -0.22 0.00 1.01 0.00 0.00 58.87 56.11 1z8r n SER 69 Cb 0.54 -0.92 -0.11 0.00 -1.01 0.00 0.00 64.21 62.72 1z8r n SER 69 CO 0.00 0.00 0.00 -1.59 -3.01 0.00 0.00 175.04 170.44 1z8r s LYS 70 N -2.91 1.67 -0.10 1.43 -2.85 -1.26 -5.01 119.74 110.71 1z8r s LYS 70 Ca 0.50 -1.93 -0.26 0.00 -1.00 0.00 0.00 55.97 53.28 1z8r s LYS 70 Cb 0.40 -0.92 -0.02 0.00 -2.06 0.00 0.00 37.83 35.23 1z8r s LYS 70 CO 0.03 -0.18 0.82 -1.01 0.10 0.00 0.00 175.35 175.11 1z8r s HIS 71 N -3.26 3.52 -0.29 1.78 3.76 -1.26 -2.38 115.29 117.16 1z8r s HIS 71 Ca 0.36 1.34 -0.05 0.00 -0.15 0.00 0.00 55.06 56.56 1z8r s HIS 71 Cb 0.09 -2.96 0.02 0.00 1.11 0.00 0.00 32.58 30.83 1z8r s HIS 71 CO 0.16 -0.08 0.05 0.71 -0.85 0.00 0.00 174.74 174.72 1z8r s TYR 72 N 1.47 3.15 -0.20 1.40 1.51 -0.97 -4.94 117.35 118.76 1z8r s TYR 72 Ca 0.41 -1.21 -0.29 0.00 -1.01 0.00 0.00 57.07 54.97 1z8r s TYR 72 Cb -0.18 -2.21 0.00 0.00 -0.11 0.00 0.00 41.96 39.47 1z8r s TYR 72 CO 0.17 -0.64 1.08 -2.14 -1.11 0.00 0.00 175.55 172.91 1z8r s PRO 73 N 1.44 4.27 0.01 -1.71 0.02 -1.26 -0.58 135.00 137.18 1z8r s PRO 73 Ca 0.01 1.42 0.02 0.00 0.02 0.00 0.00 61.00 62.47 1z8r s PRO 73 Cb -0.17 -3.65 -0.01 0.00 0.02 0.00 0.00 34.50 30.69 1z8r s PRO 73 CO 0.01 -0.61 -0.07 0.08 -0.33 0.00 0.00 177.00 176.07 1z8r s VAL 74 N 3.12 0.58 -0.19 3.83 1.01 0.26 -4.93 120.40 124.08 1z8r s VAL 74 Ca 0.46 -0.46 -0.15 0.00 0.00 0.00 0.00 61.98 61.84 1z8r s VAL 74 Cb -0.17 -0.51 -0.04 0.00 0.00 0.00 0.00 36.38 35.66 1z8r s VAL 74 CO 0.09 0.06 0.35 -0.94 0.00 0.00 0.00 175.10 174.66 1z8r s SER 75 N -0.44 6.41 0.27 3.32 1.04 -1.26 -1.08 113.70 121.96 1z8r s SER 75 Ca 0.01 0.48 0.03 0.00 0.48 0.00 0.00 55.95 56.95 1z8r s SER 75 Cb -0.04 -2.21 -0.06 0.00 0.10 0.00 0.00 66.02 63.81 1z8r s SER 75 CO -0.00 -0.02 0.03 0.72 0.98 0.00 0.00 173.24 174.95 1z8r s PHE 76 N 1.08 1.71 0.25 5.02 -0.12 -0.70 -4.58 117.98 120.63 1z8r s PHE 76 Ca 0.18 -0.96 0.09 0.00 -0.05 0.00 0.00 56.93 56.18 1z8r s PHE 76 Cb -0.14 -1.03 -0.04 0.00 -0.63 0.00 0.00 43.02 41.17 1z8r s PHE 76 CO 0.07 -0.06 0.02 -2.00 -0.05 0.00 0.00 175.22 173.20 1z8r s GLU 77 N -3.89 2.39 -0.83 1.99 2.12 -0.94 -4.74 118.70 114.80 1z8r s GLU 77 Ca 0.33 -1.32 0.02 0.00 0.36 0.00 0.00 54.97 54.35 1z8r s GLU 77 Cb 0.07 -2.24 0.30 0.00 0.26 0.00 0.00 34.13 32.52 1z8r s GLU 77 CO 0.12 0.38 1.21 0.41 -0.54 0.00 0.00 175.26 176.84 1z8r n GLY 78 N -0.81 5.35 3.77 -1.50 0.00 -1.26 -2.18 105.19 108.56 1z8r n GLY 78 Ca -0.07 -2.71 -0.40 0.00 0.00 0.00 0.00 46.02 42.84 1z8r n GLY 78 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1z8r s PRO 79 N -3.15 4.15 0.00 1.61 0.02 -1.09 -4.84 135.00 131.70 1z8r s PRO 79 Ca 0.39 2.14 0.00 0.00 0.02 0.00 0.00 61.00 63.55 1z8r s PRO 79 Cb 0.16 -2.89 0.00 0.00 0.02 0.00 0.00 34.50 31.79 1z8r s PRO 79 CO -0.03 -0.33 0.00 0.41 -0.33 0.00 0.00 177.00 176.72 1z8r n GLY 80 N 0.73 -1.98 3.64 0.52 0.00 -1.26 -2.37 105.19 104.46 1z8r n GLY 80 Ca 0.02 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.63 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 0.00 4.08 -0.13 0.99 1.98 -1.26 0.10 118.68 124.44 1z8r s LEU 81 Ca 0.00 0.94 0.01 0.00 -2.89 0.00 0.00 54.13 52.19 1z8r s LEU 81 Cb 0.00 -3.10 0.02 0.00 0.66 0.00 0.00 46.19 43.77 1z8r s LEU 81 CO 0.00 -0.48 -0.15 -0.69 -1.89 0.00 0.00 176.35 173.13 1z8r s VAL 82 N 2.76 1.59 -0.44 1.68 1.01 0.10 -4.97 120.40 122.13 1z8r s VAL 82 Ca 0.33 -0.67 -0.28 0.00 0.00 0.00 0.00 61.98 61.35 1z8r s VAL 82 Cb -0.15 -1.46 -0.00 0.00 0.00 0.00 0.00 36.38 34.76 1z8r s VAL 82 CO 0.08 0.46 1.61 -1.83 0.00 0.00 0.00 175.10 175.42 1z8r s GLU 83 N 1.19 3.31 -0.30 2.72 -1.05 -1.26 -1.83 118.70 121.47 1z8r s GLU 83 Ca -0.01 0.98 -0.29 0.00 -0.15 0.00 0.00 54.97 55.49 1z8r s GLU 83 Cb -0.14 -4.15 -0.00 0.00 -0.44 0.00 0.00 34.13 29.39 1z8r s GLU 83 CO -0.06 -1.90 1.36 0.08 0.95 0.00 0.00 175.26 175.69 1z8r s VAL 84 N 6.58 4.05 0.47 1.83 1.01 0.27 -4.95 120.40 129.65 1z8r s VAL 84 Ca 0.67 1.17 -0.20 0.00 0.00 0.00 0.00 61.98 63.62 1z8r s VAL 84 Cb -0.16 -4.10 -0.09 0.00 0.00 0.00 0.00 36.38 32.03 1z8r s VAL 84 CO 0.30 -0.49 1.00 0.00 0.00 0.00 0.00 175.10 175.92 1z8r s GLN 85 N 4.34 3.96 -0.57 2.72 -2.07 -1.26 -0.85 119.66 125.93 1z8r s GLN 85 Ca 0.59 1.26 -0.26 0.00 -1.82 0.00 0.00 55.36 55.12 1z8r s GLN 85 Cb -0.17 -2.13 -0.03 0.00 -1.09 0.00 0.00 33.01 29.59 1z8r s GLN 85 CO 0.25 -0.28 1.98 -2.00 -1.32 0.00 0.00 175.29 173.93 1z8r s GLU 86 N -3.24 2.53 0.08 9.60 2.12 -1.24 -4.51 118.70 124.03 1z8r s GLU 86 Ca 0.65 0.82 -0.07 0.00 0.36 0.00 0.00 54.97 56.73 1z8r s GLU 86 Cb -0.13 -4.43 -0.01 0.00 0.26 0.00 0.00 34.13 29.82 1z8r s GLU 86 CO 0.18 -2.83 0.13 0.45 -0.54 0.00 0.00 175.26 172.65 1z8r s SER 87 N 8.97 0.21 0.00 -1.70 0.15 -0.95 -4.91 113.70 115.48 1z8r s SER 87 Ca 0.74 -0.73 0.00 0.00 0.70 0.00 0.00 55.95 56.66 1z8r s SER 87 Cb -0.14 0.30 0.00 0.00 -1.71 0.00 0.00 66.02 64.47 1z8r s SER 87 CO 0.22 -0.69 0.00 1.21 1.20 0.00 0.00 173.24 175.18 1z8r n GLU 88 N 0.01 0.00 -0.85 5.44 2.13 -1.26 -0.05 120.64 126.06 1z8r n GLU 88 Ca -0.15 0.00 -0.03 0.00 0.66 0.00 0.00 57.16 57.64 1z8r n GLU 88 Cb 0.62 0.00 -0.03 0.00 0.27 0.00 0.00 31.44 32.30 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 -4.01 4.31 0.18 -1.26 -5.09 117.16 111.29 1z8r n TYR 89 Ca 0.00 -0.29 -0.34 0.00 1.88 0.00 0.00 57.90 59.15 1z8r n TYR 89 Cb 0.00 0.29 -0.15 0.00 -0.38 0.00 0.00 39.34 39.10 1z8r n TYR 89 CO 0.00 0.00 0.00 0.71 -2.08 0.00 0.00 176.86 175.49 1z8r s TYR 90 N 0.00 3.00 0.61 -3.48 2.02 0.92 -4.98 117.35 115.45 1z8r s TYR 90 Ca 0.04 -1.60 -0.19 0.00 -0.37 0.00 0.00 57.07 54.95 1z8r s TYR 90 Cb 0.05 -2.01 -0.02 0.00 -0.40 0.00 0.00 41.96 39.57 1z8r s TYR 90 CO -0.02 -0.75 1.32 -2.14 -1.57 0.00 0.00 175.55 172.39 1z8r s PRO 91 N 1.31 2.77 -0.44 -1.71 0.02 -1.26 -2.23 135.00 133.46 1z8r s PRO 91 Ca 0.01 2.13 -0.28 0.00 0.02 0.00 0.00 61.00 62.88 1z8r s PRO 91 Cb -0.16 -1.99 -0.30 0.00 0.02 0.00 0.00 34.50 32.07 1z8r s PRO 91 CO -0.07 -1.45 1.78 1.17 -0.33 0.00 0.00 177.00 178.11 1z8r n LYS 92 N -1.59 0.31 -4.68 5.54 0.00 -1.25 -4.46 118.16 112.04 1z8r n LYS 92 Ca 0.14 -1.37 -0.31 0.00 0.00 0.00 0.00 58.31 56.77 1z8r n LYS 92 Cb 0.47 -2.99 -0.07 0.00 0.00 0.00 0.00 35.03 32.44 1z8r n LYS 92 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.40 178.43 1z8r s ARG 93 N 7.10 2.14 -0.17 1.64 1.81 -0.02 -4.88 118.95 126.56 1z8r s ARG 93 Ca 0.71 -2.37 -0.10 0.00 -1.72 0.00 0.00 55.73 52.25 1z8r s ARG 93 Cb 0.09 -1.13 -0.05 0.00 -0.45 0.00 0.00 34.95 33.41 1z8r s ARG 93 CO 0.27 -0.46 0.16 0.71 -0.68 0.00 0.00 175.30 175.30 1z8r s TYR 94 N -3.01 3.46 -0.05 -0.53 1.51 -1.26 0.96 117.35 118.43 1z8r s TYR 94 Ca 0.09 0.43 0.02 0.00 -1.01 0.00 0.00 57.07 56.59 1z8r s TYR 94 Cb 0.01 -2.15 0.02 0.00 -0.11 0.00 0.00 41.96 39.73 1z8r s TYR 94 CO 0.06 0.38 -0.09 -0.65 -1.11 0.00 0.00 175.55 174.15 1z8r s GLN 95 N 0.06 1.24 0.03 -0.62 -1.52 -0.76 -4.62 119.66 113.47 1z8r s GLN 95 Ca 0.11 -0.27 -0.00 0.00 -1.95 0.00 0.00 55.36 53.25 1z8r s GLN 95 Cb -0.12 -1.10 -0.04 0.00 -0.22 0.00 0.00 33.01 31.54 1z8r s GLN 95 CO 0.00 -0.01 0.14 -1.54 -0.25 0.00 0.00 175.29 173.64 1z8r s SER 96 N 0.71 5.99 -0.35 5.90 1.04 0.15 0.01 113.70 127.16 1z8r s SER 96 Ca -0.12 0.19 -0.01 0.00 0.48 0.00 0.00 55.95 56.49 1z8r s SER 96 Cb -0.14 -1.77 -0.01 0.00 0.10 0.00 0.00 66.02 64.19 1z8r s SER 96 CO 0.02 0.22 0.30 1.41 0.98 0.00 0.00 173.24 176.17 1z8r n HIS 97 N 0.72 -0.74 -4.82 5.02 -0.00 0.28 -4.38 115.22 111.30 1z8r n HIS 97 Ca -0.09 0.28 -0.27 0.00 -0.00 0.00 0.00 57.72 57.64 1z8r n HIS 97 Cb 0.52 -2.99 -0.15 0.00 -0.00 0.00 0.00 29.99 27.37 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 -3.12 1.75 -0.04 1.59 0.11 -1.00 -2.39 120.40 117.30 1z8r s VAL 98 Ca 0.09 -1.13 -0.01 0.00 -2.93 0.00 0.00 61.98 57.99 1z8r s VAL 98 Cb -0.01 -1.49 -0.04 0.00 -1.53 0.00 0.00 36.38 33.31 1z8r s VAL 98 CO 0.23 0.32 0.07 -0.76 -3.33 0.00 0.00 175.10 171.63 1z8r s LEU 99 N -0.96 3.87 0.00 2.54 1.02 0.23 -2.68 118.68 122.69 1z8r s LEU 99 Ca 0.08 0.18 0.03 0.00 0.02 0.00 0.00 54.13 54.44 1z8r s LEU 99 Cb -0.09 -2.14 -0.01 0.00 0.02 0.00 0.00 46.19 43.98 1z8r s LEU 99 CO 0.01 0.31 -0.09 -0.76 0.02 0.00 0.00 176.35 175.84 1z8r s LEU 100 N -1.45 2.05 -0.09 1.79 1.43 -0.93 0.23 118.68 121.72 1z8r s LEU 100 Ca 0.20 -0.22 -0.15 0.00 -1.03 0.00 0.00 54.13 52.92 1z8r s LEU 100 Cb -0.12 -0.44 0.03 0.00 0.03 0.00 0.00 46.19 45.70 1z8r s LEU 100 CO 0.10 0.07 0.38 0.00 0.23 0.00 0.00 176.35 177.13 1z8r s ALA 101 N -0.37 -0.95 -0.24 4.21 0.00 -0.92 -2.21 121.76 121.28 1z8r s ALA 101 Ca 0.02 0.80 -0.10 0.00 0.00 0.00 0.00 51.96 52.67 1z8r s ALA 101 Cb -0.04 -0.30 -0.05 0.00 0.00 0.00 0.00 23.12 22.73 1z8r s ALA 101 CO -0.00 -0.23 0.15 -0.08 0.00 0.00 0.00 175.76 175.60 1z8r s THR 102 N -0.53 5.32 -0.01 0.00 -1.32 -1.26 0.18 115.64 118.02 1z8r s THR 102 Ca -0.06 0.16 -0.22 0.00 -1.21 0.00 0.00 61.69 60.36 1z8r s THR 102 Cb -0.04 -3.47 -0.22 0.00 -1.51 0.00 0.00 72.50 67.26 1z8r s THR 102 CO 0.03 0.35 1.11 1.23 -2.21 0.00 0.00 174.62 175.13 1z8r h GLY 103 N 7.46 0.33 -2.67 6.08 0.00 -1.75 -3.48 103.07 109.05 1z8r h GLY 103 Ca -0.38 -0.54 -0.37 0.00 0.00 0.00 0.00 47.33 46.04 1z8r h GLY 103 CO 0.66 0.47 -0.48 0.33 0.00 0.00 0.00 176.54 177.52 1z8r n PHE 104 N -4.39 -0.89 0.14 5.60 -0.00 -1.26 -4.78 117.46 111.88 1z8r n PHE 104 Ca -0.09 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.36 1z8r n PHE 104 Cb 0.55 -3.67 0.00 0.00 -0.00 0.00 0.00 39.48 36.36 1z8r n PHE 104 CO 0.00 0.00 0.00 0.43 -0.00 0.00 0.00 176.76 177.19 1z8r n SER 105 N -1.58 -0.12 -3.77 -2.13 7.64 -1.26 -5.13 113.62 107.27 1z8r n SER 105 Ca -0.22 0.48 -0.13 0.00 1.01 0.00 0.00 58.87 60.01 1z8r n SER 105 Cb 0.67 0.38 -0.11 0.00 -1.01 0.00 0.00 64.21 64.14 1z8r n SER 105 CO 0.00 0.00 0.00 -1.61 -3.01 0.00 0.00 175.04 170.42 1z8r s GLU 106 N -1.98 0.37 0.59 1.43 2.02 -1.26 -5.17 118.70 114.69 1z8r s GLU 106 Ca 0.00 0.39 -0.10 0.00 0.02 0.00 0.00 54.97 55.28 1z8r s GLU 106 Cb 0.00 0.18 0.14 0.00 0.10 0.00 0.00 34.13 34.55 1z8r s GLU 106 CO 0.00 -0.05 0.71 -0.35 0.02 0.00 0.00 175.26 175.60 1z8r n PRO 107 N 2.85 -1.13 0.00 0.39 -0.04 -1.26 -4.90 135.00 130.90 1z8r n PRO 107 Ca -0.13 -1.11 0.00 0.00 -0.04 0.00 0.00 63.50 62.22 1z8r n PRO 107 Cb 0.58 -0.81 0.00 0.00 -0.04 0.00 0.00 33.50 33.23 1z8r n PRO 107 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1z8r n GLY 108 N -0.35 2.26 1.95 0.55 0.00 -1.26 -4.27 105.19 104.06 1z8r n GLY 108 Ca 0.09 -1.84 0.00 0.00 0.00 0.00 0.00 46.02 44.28 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 0.00 -0.70 1.61 2.03 -1.26 -4.61 116.55 113.63 1z8r n ASP 109 Ca 0.00 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.31 1z8r n ASP 109 Cb 0.00 0.21 0.00 0.00 -0.72 0.00 0.00 41.12 40.61 1z8r n ASP 109 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1z8r n ALA 110 N -2.48 0.00 -2.75 -1.67 0.00 -1.26 -4.24 120.51 108.11 1z8r n ALA 110 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 53.44 53.01 1z8r n ALA 110 Cb 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.40 1z8r n ALA 110 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1z8r s GLY 111 N -4.76 1.58 0.31 0.00 0.00 -1.26 -4.92 107.32 98.27 1z8r s GLY 111 Ca 0.00 -1.59 -0.09 0.00 0.00 0.00 0.00 44.72 43.04 1z8r s GLY 111 CO 0.00 1.78 0.54 -0.32 0.00 0.00 0.00 173.10 175.10 1z8r s GLY 112 N 2.94 0.88 0.05 0.20 0.00 -1.26 -4.73 107.32 105.40 1z8r s GLY 112 Ca 0.22 -1.10 0.07 0.00 0.00 0.00 0.00 44.72 43.90 1z8r s GLY 112 CO 0.14 -0.71 -0.19 -0.26 0.00 0.00 0.00 173.10 172.08 1z8r s ILE 113 N -3.30 1.54 -0.34 0.90 -5.25 -1.26 -1.26 121.20 112.24 1z8r s ILE 113 Ca 0.24 -1.23 -0.23 0.00 -0.99 0.00 0.00 60.65 58.45 1z8r s ILE 113 Cb -0.02 -1.37 0.00 0.00 2.95 0.00 0.00 42.46 44.03 1z8r s ILE 113 CO 0.14 0.10 0.76 -0.22 -1.79 0.00 0.00 174.94 173.93 1z8r s LEU 114 N -1.32 4.12 0.10 0.37 2.96 0.22 -4.10 118.68 121.03 1z8r s LEU 114 Ca 0.06 0.45 0.09 0.00 -0.22 0.00 0.00 54.13 54.51 1z8r s LEU 114 Cb -0.09 -3.01 -0.04 0.00 0.50 0.00 0.00 46.19 43.56 1z8r s LEU 114 CO 0.02 -0.66 -0.22 0.00 -1.32 0.00 0.00 176.35 174.17 1z8r s ARG 115 N 2.99 1.71 0.33 1.98 1.70 -0.85 0.39 118.95 127.20 1z8r s ARG 115 Ca 0.31 -1.19 0.08 0.00 -0.47 0.00 0.00 55.73 54.46 1z8r s ARG 115 Cb -0.14 -2.04 -0.04 0.00 -0.57 0.00 0.00 34.95 32.17 1z8r s ARG 115 CO 0.15 0.49 0.20 0.00 -1.08 0.00 0.00 175.30 175.05 1z8r h GLU 117 N 1.44 0.00 0.10 0.00 4.11 -1.97 -0.30 114.58 117.96 1z8r h GLU 117 Ca -0.44 0.00 -0.34 0.00 0.07 0.00 0.00 59.36 58.65 1z8r h GLU 117 Cb 1.25 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.48 1z8r h GLU 117 CO 0.61 0.00 -1.83 0.45 0.07 0.00 0.00 179.01 178.31 1z8r h HIS 118 N 0.00 0.38 0.00 2.06 3.86 -1.97 -3.51 115.15 115.97 1z8r h HIS 118 Ca 0.01 -0.28 0.00 0.00 -1.16 0.00 0.00 60.37 58.94 1z8r h HIS 118 Cb 0.43 -0.02 0.00 0.00 1.06 0.00 0.00 27.41 28.89 1z8r h HIS 118 CO 0.00 1.52 0.00 0.41 0.86 0.00 0.00 177.93 180.72 1z8r n GLY 119 N 1.82 -0.81 3.70 2.45 0.00 -0.13 -4.65 105.19 107.57 1z8r n GLY 119 Ca -0.25 0.17 -0.35 0.00 0.00 0.00 0.00 46.02 45.59 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 -2.12 4.72 -0.05 1.61 1.01 0.18 0.11 120.40 125.86 1z8r s VAL 120 Ca 0.00 -0.08 -0.05 0.00 0.00 0.00 0.00 61.98 61.86 1z8r s VAL 120 Cb 0.00 -3.06 -0.02 0.00 0.00 0.00 0.00 36.38 33.30 1z8r s VAL 120 CO 0.00 0.55 -0.09 -0.38 0.00 0.00 0.00 175.10 175.18 1z8r n ILE 121 N 2.70 0.44 -2.99 2.22 2.08 0.16 0.00 119.36 123.98 1z8r n ILE 121 Ca -0.18 0.40 0.00 0.00 0.56 0.00 0.00 62.75 63.53 1z8r n ILE 121 Cb 0.53 -1.75 0.00 0.00 -0.75 0.00 0.00 39.64 37.67 1z8r n ILE 121 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 1z8r n GLY 122 N 1.54 2.47 3.61 7.39 0.00 -0.61 -0.73 105.19 118.86 1z8r n GLY 122 Ca -0.04 -1.07 -0.25 0.00 0.00 0.00 0.00 46.02 44.67 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 2.93 0.25 0.99 2.34 0.05 0.71 118.68 125.95 1z8r s LEU 123 Ca 0.00 -1.01 -0.30 0.00 0.06 0.00 0.00 54.13 52.88 1z8r s LEU 123 Cb 0.00 -1.30 -0.09 0.00 -0.56 0.00 0.00 46.19 44.24 1z8r s LEU 123 CO 0.00 -0.21 1.19 0.68 -1.06 0.00 0.00 176.35 176.95 1z8r s VAL 124 N -2.53 3.35 0.00 1.48 -7.23 -0.39 0.11 120.40 115.20 1z8r s VAL 124 Ca 0.34 1.25 0.00 0.00 -1.81 0.00 0.00 61.98 61.76 1z8r s VAL 124 Cb -0.00 -3.80 0.00 0.00 0.56 0.00 0.00 36.38 33.14 1z8r s VAL 124 CO 0.19 0.25 0.00 1.07 -0.31 0.00 0.00 175.10 176.30 1z8r n THR 125 N 1.70 0.00 -3.12 5.32 5.66 -0.16 -4.72 114.28 118.96 1z8r n THR 125 Ca 0.02 0.00 -0.35 0.00 -3.05 0.00 0.00 64.05 60.66 1z8r n THR 125 Cb 0.44 0.00 -0.06 0.00 -1.55 0.00 0.00 70.33 69.16 1z8r n THR 125 CO 0.00 0.00 0.00 -0.04 -3.05 0.00 0.00 175.07 171.98 1z8r s MET 126 N 0.12 4.19 -0.23 1.09 -1.94 -1.08 -4.89 119.30 116.56 1z8r s MET 126 Ca 0.00 0.81 -0.03 0.00 -1.71 0.00 0.00 55.69 54.76 1z8r s MET 126 Cb 0.00 -2.79 0.11 0.00 2.01 0.00 0.00 34.83 34.15 1z8r s MET 126 CO 0.00 0.35 0.25 0.20 -0.01 0.00 0.00 175.02 175.81 1z8r s GLY 127 N -1.78 -0.04 0.00 -0.03 0.00 -1.26 0.11 107.32 104.33 1z8r s GLY 127 Ca 0.45 0.11 0.00 0.00 0.00 0.00 0.00 44.72 45.28 1z8r s GLY 127 CO 0.20 2.30 0.00 0.61 0.00 0.00 0.00 173.10 176.21 1z8r n GLY 128 N 5.32 0.62 1.27 0.20 0.00 -0.86 -4.84 105.19 106.91 1z8r n GLY 128 Ca -0.05 -1.91 0.05 0.00 0.00 0.00 0.00 46.02 44.12 1z8r n GLY 128 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1z8r n GLU 129 N -0.72 3.15 0.00 1.61 1.02 -1.26 -4.39 120.64 120.05 1z8r n GLU 129 Ca 0.00 -1.97 0.00 0.00 -0.02 0.00 0.00 57.16 55.17 1z8r n GLU 129 Cb 0.00 -1.83 0.00 0.00 -0.02 0.00 0.00 31.44 29.59 1z8r n GLU 129 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1z8r n GLY 130 N 0.65 0.03 3.56 0.62 0.00 -1.26 -4.81 105.19 103.98 1z8r n GLY 130 Ca 0.18 -0.02 -0.25 0.00 0.00 0.00 0.00 46.02 45.93 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 -1.00 3.08 -0.22 1.61 1.01 -1.26 -2.01 120.40 121.61 1z8r s VAL 131 Ca 0.00 -1.90 -0.01 0.00 0.00 0.00 0.00 61.98 60.07 1z8r s VAL 131 Cb 0.00 -2.58 0.01 0.00 0.00 0.00 0.00 36.38 33.82 1z8r s VAL 131 CO 0.00 -0.24 -0.10 0.68 0.00 0.00 0.00 175.10 175.44 1z8r s VAL 132 N -2.03 2.77 -0.25 2.92 -7.23 0.49 -2.02 120.40 115.05 1z8r s VAL 132 Ca 0.27 -0.83 -0.14 0.00 -1.81 0.00 0.00 61.98 59.47 1z8r s VAL 132 Cb -0.07 -2.29 -0.04 0.00 0.56 0.00 0.00 36.38 34.54 1z8r s VAL 132 CO 0.16 0.38 0.35 -0.83 -0.31 0.00 0.00 175.10 174.85 1z8r s GLY 133 N 1.36 1.95 -0.02 2.32 0.00 0.31 -2.17 107.32 111.07 1z8r s GLY 133 Ca 0.03 -0.76 0.06 0.00 0.00 0.00 0.00 44.72 44.05 1z8r s GLY 133 CO -0.07 0.85 -0.19 -1.36 0.00 0.00 0.00 173.10 172.33 1z8r s PHE 134 N 1.73 1.74 -0.35 1.90 0.08 0.14 -0.99 117.98 122.22 1z8r s PHE 134 Ca 0.15 -0.35 -0.22 0.00 0.12 0.00 0.00 56.93 56.63 1z8r s PHE 134 Cb -0.15 -1.12 0.00 0.00 -0.57 0.00 0.00 43.02 41.18 1z8r s PHE 134 CO 0.09 -0.05 0.71 0.00 -0.10 0.00 0.00 175.22 175.88 1z8r s ALA 135 N -0.40 3.46 0.32 5.36 0.00 0.31 0.77 121.76 131.57 1z8r s ALA 135 Ca 0.06 -0.70 -0.29 0.00 0.00 0.00 0.00 51.96 51.03 1z8r s ALA 135 Cb -0.08 -3.26 -0.10 0.00 0.00 0.00 0.00 23.12 19.68 1z8r s ALA 135 CO -0.00 -1.36 1.25 0.16 0.00 0.00 0.00 175.76 175.80 1z8r s ASP 136 N 1.78 6.90 0.00 0.00 1.47 -1.01 -0.77 116.67 125.05 1z8r s ASP 136 Ca 0.28 2.57 0.14 0.00 1.18 0.00 0.00 52.55 56.72 1z8r s ASP 136 Cb -0.14 -2.64 0.41 0.00 -0.34 0.00 0.00 42.92 40.21 1z8r s ASP 136 CO 0.15 -0.43 1.33 0.52 0.68 0.00 0.00 175.17 177.42 1z8r n VAL 137 N 0.89 0.47 0.68 2.11 0.31 0.09 -4.08 118.33 118.80 1z8r n VAL 137 Ca -0.00 -0.50 0.07 0.00 -0.01 0.00 0.00 64.34 63.90 1z8r n VAL 137 Cb 0.43 0.29 0.37 0.00 -0.91 0.00 0.00 33.84 34.02 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 0.60 0.17 -0.38 5.55 5.12 -1.26 -2.27 116.66 124.19 1z8r n ARG 138 Ca 0.14 0.16 0.10 0.00 -1.93 0.00 0.00 57.85 56.32 1z8r n ARG 138 Cb 0.33 -1.50 0.29 0.00 -1.16 0.00 0.00 32.46 30.42 1z8r n ARG 138 CO 0.00 0.00 0.00 -0.40 -1.93 0.00 0.00 177.63 175.30 1z8r n ASP 139 N -1.33 3.61 -2.58 0.55 5.68 -1.26 -4.47 116.55 116.75 1z8r n ASP 139 Ca 0.06 -2.09 -0.04 0.00 -0.50 0.00 0.00 54.79 52.22 1z8r n ASP 139 Cb 0.13 -0.45 -0.00 0.00 -1.14 0.00 0.00 41.12 39.65 1z8r n ASP 139 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1z8r n LEU 140 N 1.27 -1.12 0.14 -2.12 -0.00 -0.96 -4.99 117.00 109.22 1z8r n LEU 140 Ca 0.22 -1.88 0.12 0.00 -0.00 0.00 0.00 56.01 54.47 1z8r n LEU 140 Cb 0.60 0.79 0.52 0.00 -0.00 0.00 0.00 43.42 45.33 1z8r n LEU 140 CO 0.16 1.19 0.85 -0.11 -0.00 0.00 0.00 177.39 179.48 1z8r n LEU 141 N -0.51 0.65 -4.52 1.47 -0.00 -1.09 -4.55 117.00 108.46 1z8r n LEU 141 Ca -0.24 0.69 -0.13 0.00 -0.00 0.00 0.00 56.01 56.34 1z8r n LEU 141 Cb 0.65 -0.64 -0.10 0.00 -0.00 0.00 0.00 43.42 43.33 1z8r n LEU 141 CO -0.11 -0.67 1.07 -2.67 -0.00 0.00 0.00 177.39 175.02 1z8r n TRP 142 N -2.25 0.82 0.00 1.96 4.27 -1.26 -3.78 117.44 117.19 1z8r n TRP 142 Ca 0.01 -0.13 0.00 0.00 -3.89 0.00 0.00 57.50 53.49 1z8r n TRP 142 Cb 0.18 -2.38 0.00 0.00 -1.36 0.00 0.00 31.31 27.75 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 18.26 0.00 0.00 5.67 4.32 -1.26 -5.00 117.00 138.99 1z8r n LEU 143 Ca 0.37 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 56.36 1z8r n LEU 143 Cb 0.47 0.04 0.00 0.00 -1.62 0.00 0.00 43.42 42.31 1z8r n LEU 143 CO 0.58 -0.36 0.00 -1.84 -1.22 0.00 0.00 177.39 174.55 1z8r n GLU 144 N -2.23 0.00 -1.91 3.23 0.28 -1.25 -4.41 120.64 114.36 1z8r n GLU 144 Ca 0.00 0.00 -0.42 0.00 -0.16 0.00 0.00 57.16 56.58 1z8r n GLU 144 Cb 0.00 0.00 -0.03 0.00 1.43 0.00 0.00 31.44 32.84 1z8r n GLU 144 CO 0.00 0.00 0.00 0.34 -0.16 0.00 0.00 177.13 177.31 1z8r s ASP 145 N 0.92 6.60 0.41 -1.84 2.15 -1.26 -4.99 116.67 118.66 1z8r s ASP 145 Ca 0.00 2.43 -0.12 0.00 0.43 0.00 0.00 52.55 55.29 1z8r s ASP 145 Cb 0.00 -2.55 -0.07 0.00 -0.30 0.00 0.00 42.92 40.01 1z8r s ASP 145 CO 0.00 -0.93 0.79 -1.81 -0.17 0.00 0.00 175.17 173.05 1z8r s ASP 146 N 3.16 6.56 -0.23 -0.34 1.01 -1.26 -4.74 116.67 120.83 1z8r s ASP 146 Ca 0.77 1.21 -0.28 0.00 0.71 0.00 0.00 52.55 54.95 1z8r s ASP 146 Cb -0.38 -2.35 0.01 0.00 1.01 0.00 0.00 42.92 41.21 1z8r s ASP 146 CO 0.33 -0.40 1.00 0.00 0.21 0.00 0.00 175.17 176.31 1z8r s ALA 147 N -2.36 3.68 0.41 5.23 0.00 -1.26 -4.86 121.76 122.61 1z8r s ALA 147 Ca 0.53 0.12 0.08 0.00 0.00 0.00 0.00 51.96 52.69 1z8r s ALA 147 Cb -0.10 -3.50 -0.01 0.00 0.00 0.00 0.00 23.12 19.50 1z8r s ALA 147 CO 0.30 -1.02 0.42 -1.64 0.00 0.00 0.00 175.76 173.81 1z8r s MET 148 N 3.13 2.61 0.14 0.00 -1.94 -1.26 -3.71 119.30 118.26 1z8r s MET 148 Ca 0.42 -1.46 -0.31 0.00 -1.71 0.00 0.00 55.69 52.63 1z8r s MET 148 Cb -0.15 -2.47 -0.11 0.00 2.01 0.00 0.00 34.83 34.11 1z8r s MET 148 CO 0.06 -0.20 1.84 -2.00 -0.01 0.00 0.00 175.02 174.71 1z8r s GLU 149 N -4.18 4.13 0.00 2.03 2.12 -1.26 -5.03 118.70 116.51 1z8r s GLU 149 Ca 0.49 2.62 0.30 0.00 0.36 0.00 0.00 54.97 58.75 1z8r s GLU 149 Cb -0.05 -3.55 1.56 0.00 0.26 0.00 0.00 34.13 32.36 1z8r s GLU 149 CO 0.29 -0.85 2.03 0.94 -0.54 0.00 0.00 175.26 177.14