#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1z8r h PRO 2 N 0.00 0.00 -4.88 1.61 0.13 -2.11 -3.41 132.00 123.34 1z8r h PRO 2 Ca 0.00 0.00 -0.65 0.00 -0.87 0.00 0.00 66.00 64.48 1z8r h PRO 2 Cb 0.00 0.00 -0.19 0.00 0.13 0.00 0.00 31.00 30.94 1z8r h PRO 2 CO 0.00 0.41 -0.54 -0.47 -0.23 0.00 0.00 178.00 177.17 1z8r s TYR 3 N -3.88 3.19 0.09 1.56 5.04 -1.26 -5.07 117.35 117.02 1z8r s TYR 3 Ca -0.02 -0.09 -0.02 0.00 -2.44 0.00 0.00 57.07 54.50 1z8r s TYR 3 Cb 0.13 -2.36 -0.04 0.00 0.35 0.00 0.00 41.96 40.05 1z8r s TYR 3 CO 0.71 -0.25 0.04 0.20 -1.34 0.00 0.00 175.55 174.91 1z8r s GLY 4 N 1.71 0.68 0.00 8.97 0.00 -1.26 -5.02 107.32 112.40 1z8r s GLY 4 Ca 0.07 -1.27 0.00 0.00 0.00 0.00 0.00 44.72 43.51 1z8r s GLY 4 CO 0.09 -1.28 0.00 1.57 0.00 0.00 0.00 173.10 173.48 1z8r n HIS 5 N -0.01 -0.02 -1.10 1.90 -0.00 -1.26 -5.02 115.22 109.72 1z8r n HIS 5 Ca -0.10 0.00 -0.34 0.00 -0.00 0.00 0.00 57.72 57.28 1z8r n HIS 5 Cb 0.62 0.00 -0.03 0.00 -0.00 0.00 0.00 29.99 30.59 1z8r n HIS 5 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 1z8r n GLN 6 N -0.76 2.22 -0.03 1.57 10.64 -1.26 -4.03 117.38 125.74 1z8r n GLN 6 Ca 0.00 -1.85 -0.03 0.00 -1.83 0.00 0.00 57.00 53.28 1z8r n GLN 6 Cb 0.00 -2.78 -0.03 0.00 -0.86 0.00 0.00 30.24 26.58 1z8r n GLN 6 CO 0.00 0.00 0.00 -1.13 -1.83 0.00 0.00 177.06 174.10 1z8r n SER 7 N 5.48 3.67 -0.21 2.61 3.41 -1.26 -5.10 113.62 122.22 1z8r n SER 7 Ca 0.52 -0.02 0.00 0.00 -0.26 0.00 0.00 58.87 59.11 1z8r n SER 7 Cb 0.27 0.10 0.00 0.00 -0.26 0.00 0.00 64.21 64.32 1z8r n SER 7 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1z8r n GLY 8 N 3.10 0.07 3.29 5.00 0.00 -1.26 -5.07 105.19 110.33 1z8r n GLY 8 Ca -0.09 -0.61 -0.10 0.00 0.00 0.00 0.00 46.02 45.21 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 -0.08 -0.75 -0.31 4.61 0.00 -1.26 -4.63 121.76 119.33 1z8r s ALA 9 Ca 0.00 -0.16 -0.10 0.00 0.00 0.00 0.00 51.96 51.69 1z8r s ALA 9 Cb 0.00 0.61 -0.01 0.00 0.00 0.00 0.00 23.12 23.72 1z8r s ALA 9 CO 0.00 -0.59 0.17 0.08 0.00 0.00 0.00 175.76 175.42 1z8r s VAL 10 N -3.69 4.75 -0.31 0.00 1.01 -0.73 -5.02 120.40 116.42 1z8r s VAL 10 Ca 0.03 -0.35 -0.10 0.00 0.00 0.00 0.00 61.98 61.56 1z8r s VAL 10 Cb 0.02 -3.42 -0.01 0.00 0.00 0.00 0.00 36.38 32.98 1z8r s VAL 10 CO -0.11 0.07 0.15 -0.47 0.00 0.00 0.00 175.10 174.74 1z8r s TYR 11 N 1.64 3.18 -0.23 5.22 6.14 -1.26 -1.28 117.35 130.75 1z8r s TYR 11 Ca 0.05 -0.54 0.02 0.00 0.64 0.00 0.00 57.07 57.24 1z8r s TYR 11 Cb -0.17 -2.35 0.05 0.00 0.42 0.00 0.00 41.96 39.91 1z8r s TYR 11 CO 0.07 -0.44 -0.12 0.08 0.64 0.00 0.00 175.55 175.78 1z8r s VAL 12 N 1.62 2.01 0.00 3.14 1.01 0.29 -3.53 120.40 124.93 1z8r s VAL 12 Ca 0.05 -1.37 0.00 0.00 0.00 0.00 0.00 61.98 60.66 1z8r s VAL 12 Cb -0.17 -2.07 0.00 0.00 0.00 0.00 0.00 36.38 34.14 1z8r s VAL 12 CO 0.06 0.10 0.00 0.61 0.00 0.00 0.00 175.10 175.88 1z8r n GLY 13 N 4.53 3.19 1.17 4.51 0.00 -1.26 -0.37 105.19 116.96 1z8r n GLY 13 Ca -0.15 0.06 0.04 0.00 0.00 0.00 0.00 46.02 45.98 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 4.08 3.34 -3.96 1.61 4.13 -1.26 -4.49 115.26 118.71 1z8r n ASN 14 Ca 0.00 -2.41 -0.24 0.00 1.68 0.00 0.00 54.58 53.61 1z8r n ASN 14 Cb 0.00 -0.54 -0.17 0.00 -1.54 0.00 0.00 39.78 37.54 1z8r n ASN 14 CO 0.00 0.00 0.00 -0.31 0.28 0.00 0.00 177.26 177.23 1z8r s TYR 15 N -1.87 1.26 -0.22 3.10 2.02 0.50 -1.98 117.35 120.16 1z8r s TYR 15 Ca 0.30 -0.48 0.02 0.00 -0.37 0.00 0.00 57.07 56.54 1z8r s TYR 15 Cb 0.21 -0.99 0.04 0.00 -0.40 0.00 0.00 41.96 40.82 1z8r s TYR 15 CO 0.11 -0.30 -0.15 0.21 -1.57 0.00 0.00 175.55 173.85 1z8r s LYS 16 N 0.96 2.59 -0.26 -0.62 2.36 0.80 -0.55 119.74 125.02 1z8r s LYS 16 Ca -0.10 -1.10 -0.11 0.00 -2.55 0.00 0.00 55.97 52.11 1z8r s LYS 16 Cb -0.15 -2.74 -0.05 0.00 -1.05 0.00 0.00 37.83 33.85 1z8r s LYS 16 CO 0.00 -0.40 0.19 0.14 1.55 0.00 0.00 175.35 176.84 1z8r s VAL 17 N 1.19 5.32 0.09 4.02 -7.23 -0.40 -1.87 120.40 121.52 1z8r s VAL 17 Ca -0.02 0.21 0.01 0.00 -1.81 0.00 0.00 61.98 60.37 1z8r s VAL 17 Cb -0.17 -3.53 -0.04 0.00 0.56 0.00 0.00 36.38 33.20 1z8r s VAL 17 CO -0.09 0.28 -0.06 0.54 -0.31 0.00 0.00 175.10 175.46 1z8r s VAL 18 N 1.52 0.64 0.43 1.32 0.11 -0.88 -1.77 120.40 121.76 1z8r s VAL 18 Ca 0.08 -1.92 -0.26 0.00 -2.93 0.00 0.00 61.98 56.95 1z8r s VAL 18 Cb -0.15 -1.66 -0.09 0.00 -1.53 0.00 0.00 36.38 32.94 1z8r s VAL 18 CO 0.09 -0.89 1.46 0.59 -3.33 0.00 0.00 175.10 173.02 1z8r n ASN 19 N -0.02 3.54 -0.12 3.54 3.02 -1.26 -2.23 115.26 121.72 1z8r n ASN 19 Ca -0.12 1.16 -0.05 0.00 -0.03 0.00 0.00 54.58 55.54 1z8r n ASN 19 Cb 0.61 -1.62 0.03 0.00 -0.61 0.00 0.00 39.78 38.19 1z8r n ASN 19 CO 0.00 0.00 0.00 -0.09 -2.62 0.00 0.00 177.26 174.55 1z8r h ARG 20 N 2.54 0.29 0.00 3.52 2.43 -0.09 0.81 114.38 123.88 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 -0.06 0.00 0.00 -0.42 0.00 0.00 29.97 30.74 1z8r h ARG 20 CO 0.62 0.19 0.00 1.58 -1.51 0.00 0.00 179.97 180.85 1z8r n HIS 21 N -5.02 0.00 0.35 2.20 -0.00 -1.26 -2.19 115.22 109.30 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 0.16 -0.42 -0.06 0.00 -0.12 0.00 0.00 29.99 29.54 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 -1.42 0.35 -4.76 0.27 7.94 0.68 -5.02 117.00 115.04 1z8r n LEU 22 Ca 0.04 -0.37 -0.35 0.00 -1.11 0.00 0.00 56.01 54.22 1z8r n LEU 22 Cb 0.14 0.00 0.03 0.00 0.53 0.00 0.00 43.42 44.12 1z8r n LEU 22 CO 0.12 0.09 0.81 0.00 -1.11 0.00 0.00 177.39 177.29 1z8r s ALA 23 N -2.14 2.56 0.42 1.96 0.00 0.25 -4.85 121.76 119.95 1z8r s ALA 23 Ca 0.02 0.90 0.08 0.00 0.00 0.00 0.00 51.96 52.95 1z8r s ALA 23 Cb 0.07 -3.41 -0.01 0.00 0.00 0.00 0.00 23.12 19.77 1z8r s ALA 23 CO 0.41 -1.09 0.43 -0.08 0.00 0.00 0.00 175.76 175.43 1z8r s THR 24 N -1.74 2.74 0.53 0.00 -1.32 -1.26 -4.96 115.64 109.63 1z8r s THR 24 Ca 0.75 -1.26 0.25 0.00 -1.21 0.00 0.00 61.69 60.22 1z8r s THR 24 Cb -0.27 -3.00 0.39 0.00 -1.51 0.00 0.00 72.50 68.11 1z8r s THR 24 CO 0.33 0.00 2.00 1.12 -2.21 0.00 0.00 174.62 175.85 1z8r h HIS 25 N 0.93 0.00 0.00 9.09 2.07 -1.99 0.79 115.15 126.04 1z8r h HIS 25 Ca -0.41 0.00 -0.18 0.00 -2.85 0.00 0.00 60.37 56.93 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 0.49 0.00 -0.85 -0.24 -3.07 0.00 0.00 177.93 174.26 1z8r h VAL 26 N 0.00 1.55 -0.32 6.12 3.04 -1.98 -0.74 116.25 123.92 1z8r h VAL 26 Ca 0.24 -2.73 -0.07 0.00 -1.01 0.00 0.00 66.70 63.14 1z8r h VAL 26 Cb 0.99 2.50 -0.01 0.00 -2.01 0.00 0.00 31.29 32.75 1z8r h VAL 26 CO -0.00 0.79 -0.06 -0.78 -1.01 0.00 0.00 177.57 176.50 1z8r h ASP 27 N 0.05 0.61 0.70 3.17 1.82 -1.23 -2.58 116.42 118.96 1z8r h ASP 27 Ca -0.02 -0.36 -0.16 0.00 -0.39 0.00 0.00 57.03 56.10 1z8r h ASP 27 Cb 1.48 -0.16 -0.02 0.00 0.68 0.00 0.00 39.33 41.30 1z8r h ASP 27 CO 0.12 0.82 -0.75 -0.50 -1.61 0.00 0.00 179.24 177.32 1z8r h TRP 28 N 0.38 0.05 -0.69 0.28 6.55 -1.48 -1.28 115.95 119.75 1z8r h TRP 28 Ca 0.08 -0.02 0.03 0.00 0.95 0.00 0.00 58.89 59.93 1z8r h TRP 28 Cb 0.55 -0.01 -0.04 0.00 -0.86 0.00 0.00 29.16 28.80 1z8r h TRP 28 CO 0.05 0.77 0.43 1.96 -1.05 0.00 0.00 178.44 180.60 1z8r h GLN 29 N 0.02 0.82 -0.74 0.49 4.20 -0.95 -2.88 115.11 116.07 1z8r h GLN 29 Ca -0.01 -0.05 -0.54 0.00 0.06 0.00 0.00 58.65 58.11 1z8r h GLN 29 Cb 1.32 -0.19 -0.40 0.00 0.30 0.00 0.00 27.48 28.52 1z8r h GLN 29 CO 0.10 0.54 -0.67 0.09 -0.67 0.00 0.00 178.83 178.22 1z8r n ASN 30 N -4.67 5.02 -4.69 1.46 4.13 -0.99 -5.04 115.26 110.48 1z8r n ASN 30 Ca 0.07 -3.76 -0.42 0.00 1.68 0.00 0.00 54.58 52.15 1z8r n ASN 30 Cb 0.09 -0.40 -0.03 0.00 -1.54 0.00 0.00 39.78 37.90 1z8r n ASN 30 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1z8r h VAL 32 N 5.01 0.77 -3.98 0.00 -1.51 0.63 -3.48 116.25 113.69 1z8r h VAL 32 Ca -0.34 -2.45 -0.18 0.00 -1.23 0.00 0.00 66.70 62.51 1z8r h VAL 32 Cb 1.17 2.60 -0.21 0.00 -2.13 0.00 0.00 31.29 32.72 1z8r h VAL 32 CO 0.83 0.86 -0.70 0.86 -1.23 0.00 0.00 177.57 178.18 1z8r s TRP 33 N -2.57 0.30 -0.23 5.19 -0.00 -1.03 -4.99 118.94 115.61 1z8r s TRP 33 Ca -0.18 -0.54 -0.03 0.00 -0.00 0.00 0.00 56.10 55.35 1z8r s TRP 33 Cb 0.06 -0.21 0.12 0.00 -0.00 0.00 0.00 33.47 33.44 1z8r s TRP 33 CO 0.81 -0.18 0.34 -1.21 -0.00 0.00 0.00 176.95 176.71 1z8r s GLU 34 N -1.51 0.31 -0.32 5.86 8.01 -1.26 0.00 118.70 129.79 1z8r s GLU 34 Ca -0.15 0.50 -0.08 0.00 0.01 0.00 0.00 54.97 55.25 1z8r s GLU 34 Cb -0.10 -0.57 0.02 0.00 -4.31 0.00 0.00 34.13 29.17 1z8r s GLU 34 CO -0.01 -0.61 0.12 0.34 0.01 0.00 0.00 175.26 175.11 1z8r s ASP 35 N 2.50 5.36 0.27 -0.19 -1.08 -0.01 -4.96 116.67 118.55 1z8r s ASP 35 Ca 0.10 -0.84 0.02 0.00 -0.52 0.00 0.00 52.55 51.31 1z8r s ASP 35 Cb -0.15 -1.92 0.39 0.00 -1.46 0.00 0.00 42.92 39.77 1z8r s ASP 35 CO -0.15 -0.26 1.71 0.10 0.52 0.00 0.00 175.17 177.09 1z8r h TYR 36 N 8.29 0.56 0.00 -5.34 -0.00 -1.96 0.57 116.97 119.09 1z8r h TYR 36 Ca -0.28 -0.12 -0.00 0.00 0.00 0.00 0.00 58.73 58.32 1z8r h TYR 36 Cb 1.11 -0.14 -0.00 0.00 0.00 0.00 0.00 36.73 37.71 1z8r h TYR 36 CO 0.60 0.71 -0.01 -0.91 -0.00 0.00 0.00 178.16 178.56 1z8r h ASN 37 N 0.44 0.00 -0.02 0.10 -0.26 -1.92 -2.11 115.58 111.80 1z8r h ASN 37 Ca 0.06 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.80 1z8r h ASN 37 Cb 0.68 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.94 1z8r h ASN 37 CO 0.05 0.01 0.00 0.54 -1.06 0.00 0.00 177.43 176.97 1z8r n ARG 38 N -3.11 0.11 -3.37 0.81 3.00 -0.90 0.11 116.66 113.31 1z8r n ARG 38 Ca -0.02 -0.94 -0.22 0.00 -0.01 0.00 0.00 57.85 56.66 1z8r n ARG 38 Cb 0.17 -1.12 -0.02 0.00 0.00 0.00 0.00 32.46 31.50 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 0.30 -2.99 -4.18 0.55 9.92 0.14 -4.89 116.55 115.40 1z8r n ASP 39 Ca 0.04 -0.36 -0.16 0.00 -0.53 0.00 0.00 54.79 53.78 1z8r n ASP 39 Cb 0.17 -2.52 -0.11 0.00 -0.64 0.00 0.00 41.12 38.01 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 -6.33 2.36 0.05 0.64 2.96 -0.97 0.67 118.68 118.06 1z8r s LEU 40 Ca 0.39 -0.74 -0.09 0.00 -0.22 0.00 0.00 54.13 53.46 1z8r s LEU 40 Cb -0.21 -0.40 0.00 0.00 0.50 0.00 0.00 46.19 46.08 1z8r s LEU 40 CO 0.48 -0.19 0.18 -1.48 -1.32 0.00 0.00 176.35 174.02 1z8r s LEU 41 N -2.21 1.42 -0.12 -0.68 -0.00 -0.95 -0.83 118.68 115.31 1z8r s LEU 41 Ca 0.03 -0.43 0.03 0.00 -0.00 0.00 0.00 54.13 53.76 1z8r s LEU 41 Cb -0.06 0.93 0.00 0.00 -0.00 0.00 0.00 46.19 47.07 1z8r s LEU 41 CO 0.01 -0.58 -0.22 -0.69 -0.00 0.00 0.00 176.35 174.87 1z8r s VAL 42 N -2.80 2.21 0.21 1.48 1.01 0.10 -2.08 120.40 120.54 1z8r s VAL 42 Ca -0.03 -0.95 0.10 0.00 0.00 0.00 0.00 61.98 61.10 1z8r s VAL 42 Cb 0.00 -1.87 -0.05 0.00 0.00 0.00 0.00 36.38 34.46 1z8r s VAL 42 CO -0.05 0.55 -0.20 -0.94 0.00 0.00 0.00 175.10 174.46 1z8r s SER 43 N 0.54 3.16 0.02 3.32 1.04 -0.78 0.12 113.70 121.11 1z8r s SER 43 Ca -0.13 -0.94 -0.06 0.00 0.48 0.00 0.00 55.95 55.30 1z8r s SER 43 Cb -0.17 -0.23 -0.05 0.00 0.10 0.00 0.00 66.02 65.68 1z8r s SER 43 CO 0.04 0.01 0.27 0.42 0.98 0.00 0.00 173.24 174.96 1z8r s THR 44 N -2.23 5.30 0.25 2.02 -4.23 -0.63 -0.14 115.64 115.98 1z8r s THR 44 Ca 0.23 0.13 0.01 0.00 -1.18 0.00 0.00 61.69 60.88 1z8r s THR 44 Cb -0.05 -3.57 -0.04 0.00 1.34 0.00 0.00 72.50 70.17 1z8r s THR 44 CO 0.10 0.34 0.14 0.28 -0.54 0.00 0.00 174.62 174.94 1z8r s THR 45 N -1.32 0.24 -0.24 3.99 -1.32 -0.84 -4.91 115.64 111.23 1z8r s THR 45 Ca 0.28 -2.00 0.10 0.00 -1.21 0.00 0.00 61.69 58.86 1z8r s THR 45 Cb -0.13 -2.54 0.44 0.00 -1.51 0.00 0.00 72.50 68.76 1z8r s THR 45 CO 0.17 0.00 1.20 1.07 -2.21 0.00 0.00 174.62 174.85 1z8r n THR 46 N -0.43 2.26 -4.19 5.08 5.66 -1.26 -4.67 114.28 116.73 1z8r n THR 46 Ca 0.02 -3.60 -0.27 0.00 -3.05 0.00 0.00 64.05 57.14 1z8r n THR 46 Cb 0.66 -0.56 -0.05 0.00 -1.55 0.00 0.00 70.33 68.83 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 -3.32 4.03 0.34 1.79 0.00 -1.26 -5.13 121.76 118.21 1z8r s ALA 47 Ca 0.43 -1.38 -0.20 0.00 0.00 0.00 0.00 51.96 50.82 1z8r s ALA 47 Cb 0.39 -0.42 -0.10 0.00 0.00 0.00 0.00 23.12 22.99 1z8r s ALA 47 CO -0.02 -0.24 0.84 -1.01 0.00 0.00 0.00 175.76 175.33 1z8r s HIS 48 N -2.73 3.45 0.25 0.00 3.76 -1.26 -4.71 115.29 114.05 1z8r s HIS 48 Ca 0.30 1.48 0.04 0.00 -0.15 0.00 0.00 55.06 56.73 1z8r s HIS 48 Cb 0.01 -2.72 0.04 0.00 1.11 0.00 0.00 32.58 31.02 1z8r s HIS 48 CO 0.17 0.09 0.34 0.41 -0.85 0.00 0.00 174.74 174.90 1z8r n GLY 49 N -0.11 2.01 0.51 -2.22 0.00 -1.26 -4.91 105.19 99.20 1z8r n GLY 49 Ca 0.03 -2.18 0.00 0.00 0.00 0.00 0.00 46.02 43.88 1z8r n GLY 49 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1z8r s ASP 51 N -1.34 7.21 -0.14 0.00 1.01 -1.23 -5.04 116.67 117.14 1z8r s ASP 51 Ca 0.00 2.21 0.02 0.00 0.71 0.00 0.00 52.55 55.48 1z8r s ASP 51 Cb 0.00 -2.61 0.02 0.00 1.01 0.00 0.00 42.92 41.33 1z8r s ASP 51 CO 0.00 -0.24 -0.18 -0.89 0.21 0.00 0.00 175.17 174.07 1z8r s THR 52 N -0.53 1.77 0.27 -1.27 2.01 -1.26 -4.53 115.64 112.10 1z8r s THR 52 Ca 0.49 -0.79 -0.29 0.00 0.31 0.00 0.00 61.69 61.40 1z8r s THR 52 Cb -0.31 -1.60 -0.09 0.00 0.01 0.00 0.00 72.50 70.50 1z8r s THR 52 CO 0.38 0.49 1.11 -0.63 -0.69 0.00 0.00 174.62 175.28 1z8r s ILE 53 N 1.06 3.49 -0.17 1.82 -1.09 -1.26 0.46 121.20 125.50 1z8r s ILE 53 Ca -0.03 1.47 -0.15 0.00 -2.23 0.00 0.00 60.65 59.71 1z8r s ILE 53 Cb -0.14 -3.94 -0.04 0.00 -1.58 0.00 0.00 42.46 36.76 1z8r s ILE 53 CO -0.05 0.34 0.34 0.00 -1.23 0.00 0.00 174.94 174.35 1z8r s ALA 54 N -1.05 3.56 -0.43 9.38 0.00 0.46 -3.97 121.76 129.71 1z8r s ALA 54 Ca 0.45 -0.47 0.00 0.00 0.00 0.00 0.00 51.96 51.95 1z8r s ALA 54 Cb -0.32 -2.50 0.39 0.00 0.00 0.00 0.00 23.12 20.69 1z8r s ALA 54 CO 0.41 -0.07 1.89 -2.13 0.00 0.00 0.00 175.76 175.86 1z8r n ARG 55 N 3.93 2.11 -3.27 0.00 3.00 -1.26 -4.71 116.66 116.46 1z8r n ARG 55 Ca -0.10 -2.33 -0.18 0.00 -0.00 0.00 0.00 57.85 55.23 1z8r n ARG 55 Cb 0.52 -1.91 0.00 0.00 0.00 0.00 0.00 32.46 31.06 1z8r n ARG 55 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1z8r n GLN 57 N -1.73 1.70 -1.77 0.00 6.02 -1.26 -5.03 117.38 115.30 1z8r n GLN 57 Ca 0.03 -3.19 -0.42 0.00 -0.01 0.00 0.00 57.00 53.42 1z8r n GLN 57 Cb 0.58 -1.69 -0.03 0.00 1.02 0.00 0.00 30.24 30.13 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 5.47 0.90 -4.71 0.00 5.66 -1.26 -4.58 114.28 115.76 1z8r n THR 59 Ca 0.19 0.26 -0.33 0.00 -3.05 0.00 0.00 64.05 61.12 1z8r n THR 59 Cb 0.41 -1.15 -0.16 0.00 -1.55 0.00 0.00 70.33 67.89 1z8r n THR 59 CO 0.00 0.00 0.00 0.28 -3.05 0.00 0.00 175.07 172.30 1z8r s THR 60 N -3.24 2.44 0.00 1.09 -1.32 -1.26 0.72 115.64 114.07 1z8r s THR 60 Ca 0.05 -0.86 0.00 0.00 -1.21 0.00 0.00 61.69 59.67 1z8r s THR 60 Cb 0.09 -2.00 0.00 0.00 -1.51 0.00 0.00 72.50 69.08 1z8r s THR 60 CO 0.34 0.53 0.00 0.61 -2.21 0.00 0.00 174.62 173.90 1z8r n GLY 61 N 3.92 5.51 2.79 6.08 0.00 0.75 -4.89 105.19 119.34 1z8r n GLY 61 Ca -0.19 -1.39 -0.15 0.00 0.00 0.00 0.00 46.02 44.30 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 0.53 -0.05 0.11 1.61 0.11 -0.82 0.10 120.40 121.99 1z8r s VAL 62 Ca 0.00 0.19 0.06 0.00 -2.93 0.00 0.00 61.98 59.30 1z8r s VAL 62 Cb 0.00 -0.07 -0.04 0.00 -1.53 0.00 0.00 36.38 34.74 1z8r s VAL 62 CO 0.00 0.08 -0.01 -0.72 -3.33 0.00 0.00 175.10 171.11 1z8r s TYR 63 N 0.94 2.93 -0.03 1.54 -0.85 0.21 -2.34 117.35 119.74 1z8r s TYR 63 Ca -0.08 -0.06 -0.30 0.00 -0.52 0.00 0.00 57.07 56.11 1z8r s TYR 63 Cb -0.11 -1.50 -0.04 0.00 0.38 0.00 0.00 41.96 40.69 1z8r s TYR 63 CO -0.03 0.48 1.25 0.12 -1.52 0.00 0.00 175.55 175.85 1z8r s PHE 64 N -1.36 3.13 0.07 -3.49 2.19 -1.26 -2.27 117.98 114.99 1z8r s PHE 64 Ca 0.25 1.12 -0.20 0.00 0.33 0.00 0.00 56.93 58.44 1z8r s PHE 64 Cb -0.11 -3.48 -0.07 0.00 -1.31 0.00 0.00 43.02 38.05 1z8r s PHE 64 CO 0.18 -1.59 0.59 0.00 1.83 0.00 0.00 175.22 176.23 1z8r n ALA 66 N 1.84 0.98 0.03 0.00 0.00 -1.26 -2.41 120.51 119.70 1z8r n ALA 66 Ca -0.09 -0.68 -0.06 0.00 0.00 0.00 0.00 53.44 52.61 1z8r n ALA 66 Cb 0.51 -0.57 -0.11 0.00 0.00 0.00 0.00 19.45 19.28 1z8r n ALA 66 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1z8r h SER 67 N 0.03 0.00 0.60 0.00 0.87 -1.92 -3.34 113.55 109.80 1z8r h SER 67 Ca -0.45 0.00 -0.14 0.00 -1.23 0.00 0.00 61.79 59.97 1z8r h SER 67 Cb 1.99 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 63.93 1z8r h SER 67 CO 0.05 0.88 -1.50 0.29 -0.53 0.00 0.00 176.83 176.02 1z8r n LYS 68 N -3.14 0.63 -2.35 2.24 4.76 -1.26 -4.96 118.16 114.08 1z8r n LYS 68 Ca -0.08 0.14 -0.17 0.00 -2.87 0.00 0.00 58.31 55.33 1z8r n LYS 68 Cb 0.95 -1.75 -0.01 0.00 -1.84 0.00 0.00 35.03 32.37 1z8r n LYS 68 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 1z8r n SER 69 N -2.77 -4.91 -4.29 4.39 2.88 -1.01 -4.94 113.62 102.97 1z8r n SER 69 Ca -0.10 0.11 -0.17 0.00 -1.33 0.00 0.00 58.87 57.39 1z8r n SER 69 Cb 0.79 -4.14 -0.10 0.00 -0.75 0.00 0.00 64.21 60.01 1z8r n SER 69 CO 0.00 0.00 0.00 -0.54 -1.23 0.00 0.00 175.04 173.27 1z8r s LYS 70 N -4.91 1.44 -0.31 -1.46 1.02 -1.26 -4.94 119.74 109.33 1z8r s LYS 70 Ca 0.00 -1.79 -0.26 0.00 0.02 0.00 0.00 55.97 53.95 1z8r s LYS 70 Cb 0.00 -0.26 0.01 0.00 -0.52 0.00 0.00 37.83 37.05 1z8r s LYS 70 CO 0.00 -0.31 0.90 -1.01 -0.92 0.00 0.00 175.35 174.01 1z8r s HIS 71 N -3.73 3.19 -0.28 3.18 3.76 -1.26 -2.28 115.29 117.88 1z8r s HIS 71 Ca 0.37 0.99 -0.05 0.00 -0.15 0.00 0.00 55.06 56.23 1z8r s HIS 71 Cb 0.07 -3.38 0.02 0.00 1.11 0.00 0.00 32.58 30.40 1z8r s HIS 71 CO 0.14 -0.63 0.03 0.71 -0.85 0.00 0.00 174.74 174.14 1z8r s TYR 72 N 3.21 3.13 -0.07 1.40 1.51 -0.96 -4.97 117.35 120.60 1z8r s TYR 72 Ca 0.38 -1.26 -0.30 0.00 -1.01 0.00 0.00 57.07 54.88 1z8r s TYR 72 Cb -0.13 -2.18 -0.02 0.00 -0.11 0.00 0.00 41.96 39.52 1z8r s TYR 72 CO 0.13 -0.65 1.08 -2.14 -1.11 0.00 0.00 175.55 172.85 1z8r s PRO 73 N 1.42 4.41 0.05 -1.71 0.02 -1.26 -0.62 135.00 137.31 1z8r s PRO 73 Ca 0.01 1.50 0.02 0.00 0.02 0.00 0.00 61.00 62.55 1z8r s PRO 73 Cb -0.17 -3.53 -0.03 0.00 0.02 0.00 0.00 34.50 30.79 1z8r s PRO 73 CO -0.00 -0.34 -0.07 0.54 -0.33 0.00 0.00 177.00 176.81 1z8r s VAL 74 N 1.97 0.50 -0.11 3.83 0.11 0.28 -4.92 120.40 122.05 1z8r s VAL 74 Ca 0.51 -1.31 -0.14 0.00 -2.93 0.00 0.00 61.98 58.12 1z8r s VAL 74 Cb -0.21 -0.88 -0.05 0.00 -1.53 0.00 0.00 36.38 33.72 1z8r s VAL 74 CO 0.20 -0.56 0.33 -0.94 -3.33 0.00 0.00 175.10 170.81 1z8r s SER 75 N -2.00 6.55 0.20 3.54 1.04 -1.26 -0.18 113.70 121.59 1z8r s SER 75 Ca -0.05 0.65 0.01 0.00 0.48 0.00 0.00 55.95 57.05 1z8r s SER 75 Cb -0.05 -2.20 -0.05 0.00 0.10 0.00 0.00 66.02 63.82 1z8r s SER 75 CO -0.02 0.17 0.04 0.72 0.98 0.00 0.00 173.24 175.14 1z8r s PHE 76 N -0.04 1.29 0.26 5.02 -0.12 0.22 -4.01 117.98 120.60 1z8r s PHE 76 Ca 0.19 -1.10 0.09 0.00 -0.05 0.00 0.00 56.93 56.06 1z8r s PHE 76 Cb -0.14 -0.74 -0.04 0.00 -0.63 0.00 0.00 43.02 41.47 1z8r s PHE 76 CO 0.07 -0.29 0.03 -1.21 -0.05 0.00 0.00 175.22 173.77 1z8r s GLU 77 N -3.97 2.40 -0.85 1.99 8.01 -0.73 -4.69 118.70 120.86 1z8r s GLU 77 Ca 0.29 -1.33 0.01 0.00 0.01 0.00 0.00 54.97 53.95 1z8r s GLU 77 Cb 0.07 -2.24 0.32 0.00 -4.31 0.00 0.00 34.13 27.97 1z8r s GLU 77 CO 0.07 0.38 1.40 0.41 0.01 0.00 0.00 175.26 177.53 1z8r n GLY 78 N -0.87 5.73 3.77 -1.39 0.00 -1.26 -2.16 105.19 109.00 1z8r n GLY 78 Ca -0.07 -2.68 -0.39 0.00 0.00 0.00 0.00 46.02 42.88 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 -3.69 4.05 0.00 1.61 0.02 -1.13 -4.86 135.00 131.00 1z8r s PRO 79 Ca 0.41 2.09 0.00 0.00 0.02 0.00 0.00 61.00 63.53 1z8r s PRO 79 Cb 0.20 -2.79 0.00 0.00 0.02 0.00 0.00 34.50 31.93 1z8r s PRO 79 CO -0.09 -0.40 0.00 0.41 -0.33 0.00 0.00 177.00 176.59 1z8r n GLY 80 N 0.69 -1.44 3.71 0.52 0.00 -1.26 -2.37 105.19 105.05 1z8r n GLY 80 Ca 0.03 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.65 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 4.33 -0.03 0.99 1.98 -1.26 0.10 118.68 124.79 1z8r s LEU 81 Ca 0.00 1.30 -0.01 0.00 -2.89 0.00 0.00 54.13 52.53 1z8r s LEU 81 Cb 0.00 -3.19 0.03 0.00 0.66 0.00 0.00 46.19 43.68 1z8r s LEU 81 CO 0.00 -0.15 0.03 -0.69 -1.89 0.00 0.00 176.35 173.65 1z8r s VAL 82 N 0.85 0.05 -0.44 1.68 1.01 0.21 -4.96 120.40 118.81 1z8r s VAL 82 Ca 0.41 0.22 -0.28 0.00 0.00 0.00 0.00 61.98 62.33 1z8r s VAL 82 Cb -0.18 -0.21 -0.00 0.00 0.00 0.00 0.00 36.38 35.98 1z8r s VAL 82 CO 0.20 0.15 1.59 -1.61 0.00 0.00 0.00 175.10 175.44 1z8r s GLU 83 N 1.46 3.33 -0.28 2.72 2.02 -1.26 -1.09 118.70 125.60 1z8r s GLU 83 Ca -0.04 0.97 -0.29 0.00 0.02 0.00 0.00 54.97 55.63 1z8r s GLU 83 Cb -0.13 -4.14 -0.01 0.00 0.10 0.00 0.00 34.13 29.95 1z8r s GLU 83 CO -0.03 -1.87 1.45 0.54 0.02 0.00 0.00 175.26 175.37 1z8r s VAL 84 N 6.46 3.92 0.49 2.63 0.11 0.12 -4.93 120.40 129.20 1z8r s VAL 84 Ca 0.66 1.03 -0.21 0.00 -2.93 0.00 0.00 61.98 60.53 1z8r s VAL 84 Cb -0.16 -3.97 -0.08 0.00 -1.53 0.00 0.00 36.38 30.64 1z8r s VAL 84 CO 0.30 -0.43 1.08 0.00 -3.33 0.00 0.00 175.10 172.71 1z8r s GLN 85 N 4.50 3.69 -0.56 1.54 -2.07 -1.26 -1.47 119.66 124.03 1z8r s GLN 85 Ca 0.63 1.48 -0.27 0.00 -1.82 0.00 0.00 55.36 55.39 1z8r s GLN 85 Cb -0.20 -2.13 -0.02 0.00 -1.09 0.00 0.00 33.01 29.57 1z8r s GLN 85 CO 0.27 -0.54 1.86 -2.00 -1.32 0.00 0.00 175.29 173.55 1z8r s GLU 86 N -3.14 2.75 0.02 9.60 -6.30 -1.25 -4.54 118.70 115.83 1z8r s GLU 86 Ca 0.68 0.78 -0.07 0.00 -2.50 0.00 0.00 54.97 53.86 1z8r s GLU 86 Cb -0.20 -4.35 -0.00 0.00 0.00 0.00 0.00 34.13 29.57 1z8r s GLU 86 CO 0.24 -2.58 0.12 0.45 0.02 0.00 0.00 175.26 173.51 1z8r s SER 87 N 7.80 0.10 0.00 -1.70 0.15 -0.73 -4.92 113.70 114.40 1z8r s SER 87 Ca 0.70 -0.38 0.00 0.00 0.70 0.00 0.00 55.95 56.97 1z8r s SER 87 Cb -0.14 0.22 0.00 0.00 -1.71 0.00 0.00 66.02 64.39 1z8r s SER 87 CO 0.23 -0.46 0.00 1.21 1.20 0.00 0.00 173.24 175.43 1z8r n GLU 88 N 1.04 0.00 -0.43 5.44 2.13 -1.26 0.17 120.64 127.72 1z8r n GLU 88 Ca -0.21 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.61 1z8r n GLU 88 Cb 0.57 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.28 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 -4.33 4.31 0.18 -1.26 -5.09 117.16 110.97 1z8r n TYR 89 Ca 0.00 0.00 -0.35 0.00 1.88 0.00 0.00 57.90 59.43 1z8r n TYR 89 Cb 0.00 0.05 -0.10 0.00 -0.38 0.00 0.00 39.34 38.91 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 3.15 0.32 -3.48 1.51 0.13 -5.06 117.35 113.91 1z8r s TYR 90 Ca 0.00 0.08 -0.18 0.00 -1.01 0.00 0.00 57.07 55.96 1z8r s TYR 90 Cb 0.00 -1.86 -0.09 0.00 -0.11 0.00 0.00 41.96 39.89 1z8r s TYR 90 CO 0.00 0.32 0.78 -1.25 -1.11 0.00 0.00 175.55 174.30 1z8r s PRO 91 N -0.46 4.14 -0.96 -1.71 0.04 -1.26 -1.77 135.00 133.03 1z8r s PRO 91 Ca 0.08 0.84 -0.25 0.00 0.04 0.00 0.00 61.00 61.71 1z8r s PRO 91 Cb -0.12 -2.52 -0.19 0.00 0.04 0.00 0.00 34.50 31.71 1z8r s PRO 91 CO 0.02 0.19 1.96 1.17 0.04 0.00 0.00 177.00 180.38 1z8r n LYS 92 N -0.10 0.84 -3.28 4.56 3.00 -1.25 -4.44 118.16 117.50 1z8r n LYS 92 Ca 0.03 -1.94 -0.15 0.00 -0.00 0.00 0.00 58.31 56.25 1z8r n LYS 92 Cb 0.53 -3.57 -0.03 0.00 0.00 0.00 0.00 35.03 31.95 1z8r n LYS 92 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.40 177.94 1z8r n ARG 93 N 8.04 1.17 -3.72 1.64 1.74 -0.54 -4.91 116.66 120.08 1z8r n ARG 93 Ca 0.44 -1.79 -0.36 0.00 -0.77 0.00 0.00 57.85 55.37 1z8r n ARG 93 Cb 0.45 0.64 -0.07 0.00 -1.02 0.00 0.00 32.46 32.47 1z8r n ARG 93 CO 0.00 0.00 0.00 0.71 -1.52 0.00 0.00 177.63 176.82 1z8r s TYR 94 N -2.05 3.47 -0.07 -1.55 1.51 -1.26 0.14 117.35 117.54 1z8r s TYR 94 Ca 0.04 0.43 0.01 0.00 -1.01 0.00 0.00 57.07 56.54 1z8r s TYR 94 Cb 0.00 -2.15 0.02 0.00 -0.11 0.00 0.00 41.96 39.72 1z8r s TYR 94 CO 0.03 0.38 -0.08 -0.65 -1.11 0.00 0.00 175.55 174.12 1z8r s GLN 95 N 0.07 1.30 0.22 -0.62 1.11 -0.25 -4.65 119.66 116.83 1z8r s GLN 95 Ca 0.11 -0.24 0.05 0.00 0.01 0.00 0.00 55.36 55.29 1z8r s GLN 95 Cb -0.12 -1.24 -0.03 0.00 -1.01 0.00 0.00 33.01 30.61 1z8r s GLN 95 CO 0.01 -0.10 0.30 0.45 0.01 0.00 0.00 175.29 175.95 1z8r s SER 96 N 1.09 6.11 -0.84 5.90 0.15 0.30 0.68 113.70 127.09 1z8r s SER 96 Ca -0.07 0.01 -0.03 0.00 0.70 0.00 0.00 55.95 56.56 1z8r s SER 96 Cb -0.14 -1.75 -0.03 0.00 -1.71 0.00 0.00 66.02 62.38 1z8r s SER 96 CO -0.01 -0.03 0.72 1.57 1.20 0.00 0.00 173.24 176.70 1z8r n HIS 97 N -1.10 -1.81 -4.92 3.44 -0.00 0.29 -4.32 115.22 106.78 1z8r n HIS 97 Ca -0.08 0.68 -0.27 0.00 -0.00 0.00 0.00 57.72 58.04 1z8r n HIS 97 Cb 0.56 -3.96 -0.15 0.00 -0.00 0.00 0.00 29.99 26.44 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 -3.29 1.72 0.04 3.57 0.11 -1.00 -2.27 120.40 119.29 1z8r s VAL 98 Ca 0.23 -1.04 0.01 0.00 -2.93 0.00 0.00 61.98 58.25 1z8r s VAL 98 Cb -0.03 -1.45 -0.04 0.00 -1.53 0.00 0.00 36.38 33.33 1z8r s VAL 98 CO 0.56 0.39 0.08 -0.76 -3.33 0.00 0.00 175.10 172.04 1z8r s LEU 99 N -0.77 3.85 -0.04 2.54 1.02 0.23 -2.82 118.68 122.69 1z8r s LEU 99 Ca 0.08 0.06 0.02 0.00 0.02 0.00 0.00 54.13 54.31 1z8r s LEU 99 Cb -0.09 -2.40 0.02 0.00 0.02 0.00 0.00 46.19 43.74 1z8r s LEU 99 CO 0.00 0.22 -0.07 -0.76 0.02 0.00 0.00 176.35 175.76 1z8r s LEU 100 N -2.10 1.51 0.03 1.79 1.43 -0.92 -0.01 118.68 120.41 1z8r s LEU 100 Ca 0.27 -0.17 0.02 0.00 -1.03 0.00 0.00 54.13 53.22 1z8r s LEU 100 Cb -0.12 -0.52 -0.02 0.00 0.03 0.00 0.00 46.19 45.56 1z8r s LEU 100 CO 0.19 -0.01 -0.08 0.00 0.23 0.00 0.00 176.35 176.68 1z8r s ALA 101 N 0.67 0.58 -0.14 4.21 0.00 -0.87 -1.77 121.76 124.44 1z8r s ALA 101 Ca -0.10 -0.65 -0.05 0.00 0.00 0.00 0.00 51.96 51.16 1z8r s ALA 101 Cb -0.13 -0.00 -0.04 0.00 0.00 0.00 0.00 23.12 22.95 1z8r s ALA 101 CO 0.01 0.02 0.03 -0.08 0.00 0.00 0.00 175.76 175.74 1z8r s THR 102 N -1.08 4.55 0.00 0.00 -1.32 -1.26 0.19 115.64 116.73 1z8r s THR 102 Ca -0.07 -0.14 0.00 0.00 -1.21 0.00 0.00 61.69 60.28 1z8r s THR 102 Cb -0.08 -2.99 0.00 0.00 -1.51 0.00 0.00 72.50 67.92 1z8r s THR 102 CO 0.00 0.53 0.00 0.61 -2.21 0.00 0.00 174.62 173.56 1z8r n GLY 103 N 2.90 -0.34 2.07 6.08 0.00 -0.96 -4.75 105.19 110.20 1z8r n GLY 103 Ca -0.18 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.84 1z8r n GLY 103 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1z8r n PHE 104 N -1.92 -3.14 -2.66 1.61 -0.00 -1.26 -5.08 117.46 105.01 1z8r n PHE 104 Ca 0.00 0.79 -0.04 0.00 -0.00 0.00 0.00 57.45 58.20 1z8r n PHE 104 Cb 0.00 1.67 0.06 0.00 -0.00 0.00 0.00 39.48 41.21 1z8r n PHE 104 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.76 177.21 1z8r n SER 105 N -3.40 -1.28 -2.75 -2.13 2.88 -1.26 -4.95 113.62 100.73 1z8r n SER 105 Ca 0.00 -1.38 -0.04 0.00 -1.33 0.00 0.00 58.87 56.12 1z8r n SER 105 Cb 0.00 0.67 0.01 0.00 -0.75 0.00 0.00 64.21 64.14 1z8r n SER 105 CO 0.00 0.00 0.00 1.21 -1.23 0.00 0.00 175.04 175.02 1z8r n GLU 106 N 1.93 -2.77 0.20 -1.46 2.13 -1.07 -4.87 120.64 114.73 1z8r n GLU 106 Ca 0.05 2.35 0.05 0.00 0.66 0.00 0.00 57.16 60.27 1z8r n GLU 106 Cb 0.69 -5.41 0.42 0.00 0.27 0.00 0.00 31.44 27.40 1z8r n GLU 106 CO 0.00 0.00 0.00 -1.00 -0.41 0.00 0.00 177.13 175.72 1z8r h PRO 107 N 2.36 0.00 0.00 5.31 0.13 -1.92 -3.48 132.00 134.39 1z8r h PRO 107 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 1z8r h PRO 107 Cb 0.55 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.68 1z8r h PRO 107 CO 0.15 0.33 0.00 0.41 -0.23 0.00 0.00 178.00 178.67 1z8r n GLY 108 N -0.25 0.83 1.72 1.56 0.00 -1.26 -3.97 105.19 103.81 1z8r n GLY 108 Ca -0.01 -0.54 0.01 0.00 0.00 0.00 0.00 46.02 45.48 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 0.64 -3.11 1.61 -0.08 -1.26 -5.02 116.55 109.33 1z8r n ASP 109 Ca 0.00 -2.01 0.03 0.00 -1.51 0.00 0.00 54.79 51.29 1z8r n ASP 109 Cb 0.00 -0.18 -0.00 0.00 2.34 0.00 0.00 41.12 43.28 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 -0.68 -2.99 0.00 -1.67 0.00 -1.26 -5.07 121.76 110.09 1z8r s ALA 110 Ca 0.26 0.87 0.00 0.00 0.00 0.00 0.00 51.96 53.09 1z8r s ALA 110 Cb 0.31 -2.73 0.00 0.00 0.00 0.00 0.00 23.12 20.70 1z8r s ALA 110 CO -0.12 -2.11 0.00 0.41 0.00 0.00 0.00 175.76 173.95 1z8r n GLY 111 N 4.78 2.92 0.00 0.00 0.00 -1.26 -4.22 105.19 107.41 1z8r n GLY 111 Ca 0.08 -2.15 0.00 0.00 0.00 0.00 0.00 46.02 43.95 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 5.00 1.61 3.24 -0.02 0.00 -1.26 -4.93 105.19 108.83 1z8r n GLY 112 Ca 0.00 -0.08 -0.24 0.00 0.00 0.00 0.00 46.02 45.71 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 1.77 1.54 -0.34 -0.61 -4.36 -1.26 -1.30 121.20 116.65 1z8r s ILE 113 Ca 0.00 -1.26 -0.23 0.00 -0.26 0.00 0.00 60.65 58.90 1z8r s ILE 113 Cb 0.00 -1.37 0.01 0.00 1.25 0.00 0.00 42.46 42.34 1z8r s ILE 113 CO 0.00 0.07 0.78 -0.22 0.24 0.00 0.00 174.94 175.81 1z8r s LEU 114 N -1.40 4.11 0.14 0.37 2.96 0.11 -4.27 118.68 120.71 1z8r s LEU 114 Ca 0.06 0.47 0.10 0.00 -0.22 0.00 0.00 54.13 54.54 1z8r s LEU 114 Cb -0.09 -3.04 -0.04 0.00 0.50 0.00 0.00 46.19 43.52 1z8r s LEU 114 CO 0.02 -0.68 -0.22 -0.13 -1.32 0.00 0.00 176.35 174.02 1z8r s ARG 115 N 3.04 1.62 0.30 1.98 1.81 -0.99 -0.66 118.95 126.05 1z8r s ARG 115 Ca 0.32 -1.30 0.09 0.00 -1.72 0.00 0.00 55.73 53.12 1z8r s ARG 115 Cb -0.14 -2.00 -0.05 0.00 -0.45 0.00 0.00 34.95 32.32 1z8r s ARG 115 CO 0.15 0.45 0.00 0.00 -0.68 0.00 0.00 175.30 175.23 1z8r h GLU 117 N 1.85 0.00 0.04 0.00 4.81 -1.97 -0.58 114.58 118.73 1z8r h GLU 117 Ca -0.43 0.00 -0.34 0.00 -0.13 0.00 0.00 59.36 58.46 1z8r h GLU 117 Cb 1.25 0.00 -0.04 0.00 0.63 0.00 0.00 28.75 30.59 1z8r h GLU 117 CO 0.63 0.00 -1.96 0.72 -0.73 0.00 0.00 179.01 177.67 1z8r n HIS 118 N -2.89 0.88 0.00 0.92 8.25 -1.26 -5.08 115.22 116.04 1z8r n HIS 118 Ca -0.02 0.25 0.00 0.00 -0.26 0.00 0.00 57.72 57.69 1z8r n HIS 118 Cb 0.24 -1.14 0.00 0.00 1.12 0.00 0.00 29.99 30.21 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 1.79 -1.03 3.76 -1.41 0.00 -0.23 -4.62 105.19 103.45 1z8r n GLY 119 Ca -0.27 0.04 -0.36 0.00 0.00 0.00 0.00 46.02 45.44 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 5.11 -0.05 1.61 1.01 0.17 0.99 120.40 125.24 1z8r s VAL 120 Ca 0.00 0.07 -0.05 0.00 0.00 0.00 0.00 61.98 62.00 1z8r s VAL 120 Cb 0.00 -3.25 -0.02 0.00 0.00 0.00 0.00 36.38 33.11 1z8r s VAL 120 CO 0.00 0.54 -0.09 -0.38 0.00 0.00 0.00 175.10 175.17 1z8r n ILE 121 N 2.69 0.42 -2.65 2.22 2.08 0.16 -0.40 119.36 123.88 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 -1.74 0.00 0.00 -0.75 0.00 0.00 39.64 37.68 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 1.52 2.37 3.60 7.39 0.00 -0.75 -0.08 105.19 119.25 1z8r n GLY 122 Ca -0.04 -0.92 -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 0.13 0.99 2.34 0.38 0.10 118.68 125.53 1z8r s LEU 123 Ca 0.00 -1.01 -0.31 0.00 0.06 0.00 0.00 54.13 52.87 1z8r s LEU 123 Cb 0.00 -1.29 -0.09 0.00 -0.56 0.00 0.00 46.19 44.25 1z8r s LEU 123 CO 0.00 -0.19 1.54 0.68 -1.06 0.00 0.00 176.35 177.32 1z8r s VAL 124 N -2.52 2.87 0.00 1.48 -7.23 -0.42 0.12 120.40 114.70 1z8r s VAL 124 Ca 0.34 0.58 0.00 0.00 -1.81 0.00 0.00 61.98 61.08 1z8r s VAL 124 Cb -0.00 -3.37 0.00 0.00 0.56 0.00 0.00 36.38 33.57 1z8r s VAL 124 CO 0.18 0.03 0.00 0.41 -0.31 0.00 0.00 175.10 175.42 1z8r n THR 125 N 4.13 0.00 -4.22 5.32 -1.04 0.90 -4.67 114.28 114.70 1z8r n THR 125 Ca 0.14 0.00 -0.24 0.00 -2.04 0.00 0.00 64.05 61.90 1z8r n THR 125 Cb 0.40 -0.27 -0.17 0.00 -1.82 0.00 0.00 70.33 68.47 1z8r n THR 125 CO 0.00 0.00 0.00 -0.32 -0.64 0.00 0.00 175.07 174.11 1z8r s MET 126 N 0.00 1.42 0.12 -2.82 1.75 -0.11 -4.96 119.30 114.69 1z8r s MET 126 Ca 0.00 -0.27 0.06 0.00 -1.25 0.00 0.00 55.69 54.23 1z8r s MET 126 Cb 0.00 -1.34 -0.04 0.00 2.84 0.00 0.00 34.83 36.29 1z8r s MET 126 CO 0.00 -0.12 -0.03 0.20 -0.65 0.00 0.00 175.02 174.42 1z8r s GLY 127 N 1.16 1.83 0.00 2.11 0.00 -1.26 0.05 107.32 111.21 1z8r s GLY 127 Ca -0.06 -1.23 0.00 0.00 0.00 0.00 0.00 44.72 43.44 1z8r s GLY 127 CO -0.02 -1.21 0.00 0.61 0.00 0.00 0.00 173.10 172.48 1z8r n GLY 128 N 0.43 3.94 1.34 0.20 0.00 0.00 -4.91 105.19 106.19 1z8r n GLY 128 Ca -0.11 -1.91 0.06 0.00 0.00 0.00 0.00 46.02 44.05 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 0.00 3.34 0.00 1.61 -0.58 -1.26 -4.49 120.64 119.26 1z8r n GLU 129 Ca 0.00 -2.13 0.00 0.00 -0.42 0.00 0.00 57.16 54.61 1z8r n GLU 129 Cb 0.00 -1.87 0.00 0.00 -0.57 0.00 0.00 31.44 29.00 1z8r n GLU 129 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1z8r n GLY 130 N 0.68 0.00 3.56 0.62 0.00 -1.26 -2.60 105.19 106.20 1z8r n GLY 130 Ca 0.19 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.96 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 -0.46 3.07 -0.22 1.61 1.01 -1.26 -2.26 120.40 121.89 1z8r s VAL 131 Ca 0.00 -1.92 -0.02 0.00 0.00 0.00 0.00 61.98 60.04 1z8r s VAL 131 Cb 0.00 -2.57 0.01 0.00 0.00 0.00 0.00 36.38 33.81 1z8r s VAL 131 CO 0.00 -0.25 -0.09 0.68 0.00 0.00 0.00 175.10 175.44 1z8r s VAL 132 N -2.06 2.92 -0.30 2.92 -7.23 0.52 -0.82 120.40 116.36 1z8r s VAL 132 Ca 0.28 -0.73 -0.16 0.00 -1.81 0.00 0.00 61.98 59.56 1z8r s VAL 132 Cb -0.07 -2.35 -0.02 0.00 0.56 0.00 0.00 36.38 34.50 1z8r s VAL 132 CO 0.16 0.40 0.40 -0.83 -0.31 0.00 0.00 175.10 174.92 1z8r s GLY 133 N 1.40 1.87 0.04 2.32 0.00 0.11 -2.05 107.32 111.01 1z8r s GLY 133 Ca 0.04 -0.94 0.08 0.00 0.00 0.00 0.00 44.72 43.90 1z8r s GLY 133 CO -0.06 1.04 -0.24 -1.36 0.00 0.00 0.00 173.10 172.49 1z8r s PHE 134 N 2.12 2.08 -0.43 1.90 0.08 0.98 -0.07 117.98 124.64 1z8r s PHE 134 Ca 0.15 -0.39 -0.22 0.00 0.12 0.00 0.00 56.93 56.58 1z8r s PHE 134 Cb -0.16 -1.25 0.02 0.00 -0.57 0.00 0.00 43.02 41.06 1z8r s PHE 134 CO 0.11 0.10 0.74 0.00 -0.10 0.00 0.00 175.22 176.06 1z8r s ALA 135 N -0.78 3.34 0.50 5.36 0.00 0.32 0.74 121.76 131.23 1z8r s ALA 135 Ca 0.10 -0.99 -0.22 0.00 0.00 0.00 0.00 51.96 50.85 1z8r s ALA 135 Cb -0.09 -3.39 -0.06 0.00 0.00 0.00 0.00 23.12 19.57 1z8r s ALA 135 CO 0.02 -1.78 1.18 0.34 0.00 0.00 0.00 175.76 175.52 1z8r s ASP 136 N 2.03 5.91 -0.01 0.00 -1.08 -0.96 -0.47 116.67 122.09 1z8r s ASP 136 Ca 0.28 2.34 0.12 0.00 -0.52 0.00 0.00 52.55 54.77 1z8r s ASP 136 Cb -0.13 -2.60 0.38 0.00 -1.46 0.00 0.00 42.92 39.11 1z8r s ASP 136 CO 0.20 -1.10 1.30 0.52 0.52 0.00 0.00 175.17 176.61 1z8r n VAL 137 N -0.78 0.67 0.66 1.11 0.31 0.88 -4.14 118.33 117.04 1z8r n VAL 137 Ca 0.09 -0.59 0.07 0.00 -0.01 0.00 0.00 64.34 63.91 1z8r n VAL 137 Cb 0.48 0.21 0.37 0.00 -0.91 0.00 0.00 33.84 33.99 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 0.69 0.16 -0.40 5.55 5.12 -1.26 -1.87 116.66 124.65 1z8r n ARG 138 Ca 0.14 0.17 0.10 0.00 -1.93 0.00 0.00 57.85 56.34 1z8r n ARG 138 Cb 0.40 -1.50 0.31 0.00 -1.16 0.00 0.00 32.46 30.51 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 -1.35 3.84 -1.68 0.55 5.75 -1.26 -4.45 116.55 117.96 1z8r n ASP 139 Ca 0.06 -2.10 -0.01 0.00 -0.01 0.00 0.00 54.79 52.74 1z8r n ASP 139 Cb 0.14 -0.48 0.03 0.00 -1.03 0.00 0.00 41.12 39.77 1z8r n ASP 139 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1z8r n LEU 140 N 1.40 -0.35 0.32 -2.12 -0.00 -0.97 -4.99 117.00 110.28 1z8r n LEU 140 Ca 0.23 -1.45 0.19 0.00 -0.00 0.00 0.00 56.01 54.98 1z8r n LEU 140 Cb 0.64 0.70 1.00 0.00 -0.00 0.00 0.00 43.42 45.76 1z8r n LEU 140 CO 0.17 1.14 1.16 0.25 -0.00 0.00 0.00 177.39 180.11 1z8r h LEU 141 N 0.23 0.00 -8.18 1.47 7.12 -1.59 -3.40 115.31 110.96 1z8r h LEU 141 Ca -0.11 0.00 -0.05 0.00 0.13 0.00 0.00 57.88 57.85 1z8r h LEU 141 Cb 1.04 0.00 -0.02 0.00 -0.53 0.00 0.00 40.66 41.16 1z8r h LEU 141 CO -0.05 0.00 0.35 -2.67 -0.13 0.00 0.00 178.44 175.94 1z8r n TRP 142 N -3.11 0.83 0.00 1.25 4.27 -1.26 -3.91 117.44 115.51 1z8r n TRP 142 Ca -0.02 -0.06 0.00 0.00 -3.89 0.00 0.00 57.50 53.53 1z8r n TRP 142 Cb 0.24 -2.17 0.00 0.00 -1.36 0.00 0.00 31.31 28.02 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 16.27 0.00 0.00 5.67 4.32 -1.26 -5.04 117.00 136.96 1z8r n LEU 143 Ca 0.44 0.00 -0.04 0.00 -0.02 0.00 0.00 56.01 56.38 1z8r n LEU 143 Cb 0.41 0.12 -0.01 0.00 -1.62 0.00 0.00 43.42 42.33 1z8r n LEU 143 CO 0.62 -0.41 0.08 -0.62 -1.22 0.00 0.00 177.39 175.85 1z8r n GLU 144 N -2.32 0.27 -1.74 3.23 1.02 -1.25 -4.71 120.64 115.14 1z8r n GLU 144 Ca 0.00 -0.89 -0.42 0.00 -0.02 0.00 0.00 57.16 55.83 1z8r n GLU 144 Cb 0.00 0.90 -0.01 0.00 -0.02 0.00 0.00 31.44 32.31 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 -1.79 3.68 -4.86 1.62 -0.08 -1.26 -4.98 116.55 108.88 1z8r n ASP 145 Ca -0.00 1.16 -0.31 0.00 -1.51 0.00 0.00 54.79 54.12 1z8r n ASP 145 Cb 0.20 -1.57 -0.04 0.00 2.34 0.00 0.00 41.12 42.04 1z8r n ASP 145 CO 0.00 0.00 0.00 -1.81 0.12 0.00 0.00 177.20 175.51 1z8r s ASP 146 N 0.35 6.60 0.30 1.67 1.01 -1.26 -4.73 116.67 120.61 1z8r s ASP 146 Ca 0.62 1.37 -0.23 0.00 0.71 0.00 0.00 52.55 55.03 1z8r s ASP 146 Cb -0.51 -2.42 -0.09 0.00 1.01 0.00 0.00 42.92 40.90 1z8r s ASP 146 CO 0.52 -0.47 0.87 0.00 0.21 0.00 0.00 175.17 176.29 1z8r s ALA 147 N -2.46 3.26 -0.77 5.23 0.00 -1.25 -4.32 121.76 121.44 1z8r s ALA 147 Ca 0.56 0.38 -0.01 0.00 0.00 0.00 0.00 51.96 52.89 1z8r s ALA 147 Cb -0.10 -3.05 -0.02 0.00 0.00 0.00 0.00 23.12 19.95 1z8r s ALA 147 CO 0.30 0.22 0.72 -0.12 0.00 0.00 0.00 175.76 176.87 1z8r n MET 148 N 0.45 -1.46 0.09 0.00 0.00 -1.26 -4.01 117.12 110.93 1z8r n MET 148 Ca 0.01 1.30 -0.04 0.00 -0.00 0.00 0.00 57.70 58.97 1z8r n MET 148 Cb 0.51 -5.58 -0.02 0.00 0.00 0.00 0.00 33.22 28.13 1z8r n MET 148 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 175.97 177.46 1z8r h GLU 149 N 0.09 -0.26 -0.03 2.12 4.57 -1.98 -3.50 114.58 115.59 1z8r h GLU 149 Ca -0.14 0.02 0.00 0.00 -1.18 0.00 0.00 59.36 58.06 1z8r h GLU 149 Cb 1.07 0.06 0.00 0.00 -0.16 0.00 0.00 28.75 29.72 1z8r h GLU 149 CO 0.32 -0.18 0.00 1.04 -1.18 0.00 0.00 179.01 179.01