#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1q8r n ASN 2 N 0.00 0.00 -4.30 3.17 0.23 -1.26 -5.03 115.26 108.07 1q8r n ASN 2 Ca 0.00 0.00 -0.28 0.00 -0.53 0.00 0.00 54.58 53.77 1q8r n ASN 2 Cb 0.00 0.00 -0.15 0.00 -2.08 0.00 0.00 39.78 37.55 1q8r n ASN 2 CO 0.00 0.00 0.00 -0.89 -0.93 0.00 0.00 177.26 175.44 1q8r s THR 3 N 0.00 1.92 -0.00 5.53 2.01 -1.26 -1.57 115.64 122.26 1q8r s THR 3 Ca 0.00 -1.25 0.05 0.00 0.31 0.00 0.00 61.69 60.80 1q8r s THR 3 Cb 0.00 -1.64 -0.01 0.00 0.01 0.00 0.00 72.50 70.85 1q8r s THR 3 CO 0.00 0.34 -0.16 -0.31 -0.69 0.00 0.00 174.62 173.80 1q8r s TYR 4 N -0.76 1.40 -0.11 4.92 1.51 0.39 -4.97 117.35 119.73 1q8r s TYR 4 Ca 0.10 -0.28 0.03 0.00 -1.01 0.00 0.00 57.07 55.91 1q8r s TYR 4 Cb -0.09 -0.89 -0.01 0.00 -0.11 0.00 0.00 41.96 40.86 1q8r s TYR 4 CO 0.01 -0.01 -0.20 -1.12 -1.11 0.00 0.00 175.55 173.12 1q8r s SER 5 N -0.47 3.44 -0.03 2.29 0.01 -1.26 -0.69 113.70 116.99 1q8r s SER 5 Ca 0.06 -0.47 0.02 0.00 1.31 0.00 0.00 55.95 56.87 1q8r s SER 5 Cb -0.06 -1.45 0.01 0.00 0.21 0.00 0.00 66.02 64.73 1q8r s SER 5 CO -0.00 0.17 -0.06 -0.63 0.41 0.00 0.00 173.24 173.12 1q8r s ILE 6 N 0.31 0.61 -0.18 1.44 1.01 -0.49 -5.00 121.20 118.89 1q8r s ILE 6 Ca -0.15 -0.23 -0.03 0.00 0.00 0.00 0.00 60.65 60.25 1q8r s ILE 6 Cb -0.17 -0.58 -0.01 0.00 0.01 0.00 0.00 42.46 41.71 1q8r s ILE 6 CO 0.07 0.21 -0.07 -0.89 0.00 0.00 0.00 174.94 174.27 1q8r s THR 7 N 0.47 3.31 0.23 2.92 2.01 -1.26 0.03 115.64 123.36 1q8r s THR 7 Ca -0.06 -0.54 0.11 0.00 0.31 0.00 0.00 61.69 61.51 1q8r s THR 7 Cb -0.10 -2.46 -0.05 0.00 0.01 0.00 0.00 72.50 69.90 1q8r s THR 7 CO 0.00 0.47 -0.18 -0.76 -0.69 0.00 0.00 174.62 173.46 1q8r s LEU 8 N 0.97 2.64 0.98 4.42 1.43 0.69 -4.98 118.68 124.83 1q8r s LEU 8 Ca -0.01 -0.87 -0.12 0.00 -1.03 0.00 0.00 54.13 52.10 1q8r s LEU 8 Cb -0.15 -1.26 0.18 0.00 0.03 0.00 0.00 46.19 44.99 1q8r s LEU 8 CO -0.00 0.08 1.09 -2.16 0.23 0.00 0.00 176.35 175.59 1q8r s PRO 9 N -3.12 0.58 0.10 1.29 0.05 -1.26 -0.69 135.00 131.95 1q8r s PRO 9 Ca 0.26 0.58 -0.31 0.00 0.05 0.00 0.00 61.00 61.58 1q8r s PRO 9 Cb -0.07 -1.75 -0.08 0.00 0.05 0.00 0.00 34.50 32.65 1q8r s PRO 9 CO 0.14 -2.64 1.43 -0.46 0.05 0.00 0.00 177.00 175.51 1q8r s TRP 10 N -2.96 3.13 0.86 0.56 -0.11 -1.26 -4.30 118.94 114.85 1q8r s TRP 10 Ca 0.65 0.86 -0.12 0.00 1.22 0.00 0.00 56.10 58.71 1q8r s TRP 10 Cb -0.18 -3.72 0.11 0.00 -1.50 0.00 0.00 33.47 28.17 1q8r s TRP 10 CO 0.57 -2.59 1.18 -1.25 -4.62 0.00 0.00 176.95 170.24 1q8r s PRO 11 N 1.36 1.59 0.51 5.86 0.04 -1.26 -5.04 135.00 138.05 1q8r s PRO 11 Ca 0.66 0.13 -0.19 0.00 0.04 0.00 0.00 61.00 61.63 1q8r s PRO 11 Cb -0.37 -1.91 -0.08 0.00 0.04 0.00 0.00 34.50 32.19 1q8r s PRO 11 CO 0.30 -1.86 1.04 -2.14 0.04 0.00 0.00 177.00 174.38 1q8r s PRO 12 N -5.51 3.71 0.76 0.56 0.02 -1.26 -5.07 135.00 128.21 1q8r s PRO 12 Ca 0.63 1.32 -0.14 0.00 0.02 0.00 0.00 61.00 62.83 1q8r s PRO 12 Cb -0.12 -2.08 0.06 0.00 0.02 0.00 0.00 34.50 32.38 1q8r s PRO 12 CO 0.51 -0.50 1.22 -1.54 -0.33 0.00 0.00 177.00 176.35 1q8r s SER 13 N -2.16 3.93 0.47 2.53 1.04 -1.26 -4.62 113.70 113.64 1q8r s SER 13 Ca 0.66 2.40 0.31 0.00 0.48 0.00 0.00 55.95 59.81 1q8r s SER 13 Cb -0.16 -2.59 1.41 0.00 0.10 0.00 0.00 66.02 64.77 1q8r s SER 13 CO 0.23 -2.44 1.70 -0.55 0.98 0.00 0.00 173.24 173.17 1q8r h ASN 14 N -0.50 0.21 1.23 7.02 -0.00 -0.66 0.25 115.58 123.12 1q8r h ASN 14 Ca -0.47 0.07 -0.16 0.00 -0.00 0.00 0.00 56.30 55.74 1q8r h ASN 14 Cb 1.30 0.05 -0.02 0.00 -0.00 0.00 0.00 38.32 39.65 1q8r h ASN 14 CO 0.48 -0.04 -0.76 -0.55 -0.00 0.00 0.00 177.43 176.57 1q8r h ASN 15 N 0.14 0.00 0.88 6.14 -0.00 -1.88 -3.30 115.58 117.56 1q8r h ASN 15 Ca 0.71 0.00 -0.04 0.00 -0.00 0.00 0.00 56.30 56.97 1q8r h ASN 15 Cb 2.35 0.00 -0.01 0.00 -0.00 0.00 0.00 38.32 40.66 1q8r h ASN 15 CO -0.23 0.76 -1.14 -2.11 -0.00 0.00 0.00 177.43 174.70 1q8r n ARG 16 N -3.30 0.61 0.28 4.14 0.00 0.72 -4.36 116.66 114.75 1q8r n ARG 16 Ca 0.01 0.13 -0.13 0.00 -0.00 0.00 0.00 57.85 57.86 1q8r n ARG 16 Cb 0.84 -1.81 -0.07 0.00 -0.00 0.00 0.00 32.46 31.42 1q8r n ARG 16 CO 0.00 0.00 0.00 -0.92 0.00 0.00 0.00 177.63 176.71 1q8r h TYR 17 N 0.00 -0.68 -3.36 2.89 3.20 -1.23 -3.42 116.97 114.36 1q8r h TYR 17 Ca -0.04 -0.02 -0.56 0.00 3.14 0.00 0.00 58.73 61.25 1q8r h TYR 17 Cb 1.14 0.23 -0.05 0.00 1.54 0.00 0.00 36.73 39.59 1q8r h TYR 17 CO 0.00 -0.37 0.06 0.71 -1.64 0.00 0.00 178.16 176.92 1q8r s TYR 18 N -4.43 3.58 0.59 -3.82 1.51 -1.25 -1.52 117.35 112.01 1q8r s TYR 18 Ca -0.13 1.22 -0.06 0.00 -1.01 0.00 0.00 57.07 57.09 1q8r s TYR 18 Cb 0.01 -2.77 0.01 0.00 -0.11 0.00 0.00 41.96 39.10 1q8r s TYR 18 CO 0.43 0.12 0.90 -0.98 -1.11 0.00 0.00 175.55 174.90 1q8r s ARG 19 N 0.70 2.88 -0.43 -0.62 3.03 0.36 -4.83 118.95 120.04 1q8r s ARG 19 Ca 0.36 -0.03 0.02 0.00 2.03 0.00 0.00 55.73 58.11 1q8r s ARG 19 Cb -0.18 -2.27 0.15 0.00 -1.03 0.00 0.00 34.95 31.62 1q8r s ARG 19 CO 0.18 -0.72 0.28 -1.01 -1.13 0.00 0.00 175.30 172.90 1q8r s HIS 20 N -3.00 1.53 -0.47 5.89 4.02 -1.26 -2.60 115.29 119.40 1q8r s HIS 20 Ca 0.54 -2.26 0.00 0.00 1.02 0.00 0.00 55.06 54.37 1q8r s HIS 20 Cb -0.11 -1.42 0.12 0.00 -1.02 0.00 0.00 32.58 30.16 1q8r s HIS 20 CO 0.45 -0.78 0.23 0.54 1.02 0.00 0.00 174.74 176.20 1q8r s ASN 21 N 0.30 4.92 0.56 1.40 4.22 -1.24 -4.97 114.94 120.13 1q8r s ASN 21 Ca 0.23 -2.48 0.00 0.00 -2.14 0.00 0.00 52.86 48.47 1q8r s ASN 21 Cb -0.14 -1.74 0.00 0.00 1.28 0.00 0.00 41.25 40.65 1q8r s ASN 21 CO -0.07 -0.39 0.00 -1.14 -2.04 0.00 0.00 177.10 173.46 1q8r n ARG 22 N 3.91 -3.91 0.00 3.55 0.63 -1.26 -4.68 116.66 114.90 1q8r n ARG 22 Ca 0.03 3.04 0.00 0.00 -0.92 0.00 0.00 57.85 60.00 1q8r n ARG 22 Cb 0.39 -3.81 0.00 0.00 0.45 0.00 0.00 32.46 29.49 1q8r n ARG 22 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1q8r n GLY 23 N -2.59 0.72 0.00 5.14 0.00 -1.26 -4.65 105.19 102.56 1q8r n GLY 23 Ca -0.00 0.34 0.00 0.00 0.00 0.00 0.00 46.02 46.36 1q8r n GLY 23 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1q8r n ARG 24 N 0.00 0.65 -4.24 1.61 1.85 -1.26 -5.03 116.66 110.23 1q8r n ARG 24 Ca 0.00 0.00 -0.21 0.00 -1.00 0.00 0.00 57.85 56.64 1q8r n ARG 24 Cb 0.00 0.00 -0.12 0.00 -1.05 0.00 0.00 32.46 31.29 1q8r n ARG 24 CO 0.00 0.00 0.00 0.99 -0.01 0.00 0.00 177.63 178.61 1q8r s THR 25 N 0.02 1.46 0.22 8.89 2.01 -1.26 -3.70 115.64 123.29 1q8r s THR 25 Ca 0.00 -1.50 -0.06 0.00 0.31 0.00 0.00 61.69 60.44 1q8r s THR 25 Cb 0.00 -1.40 -0.02 0.00 0.01 0.00 0.00 72.50 71.09 1q8r s THR 25 CO 0.00 -0.18 0.28 -1.38 -0.69 0.00 0.00 174.62 172.65 1q8r s HIS 26 N -1.37 0.83 0.43 4.92 -3.43 -1.07 -4.96 115.29 110.65 1q8r s HIS 26 Ca 0.04 -1.11 -0.23 0.00 -0.80 0.00 0.00 55.06 52.96 1q8r s HIS 26 Cb -0.09 -0.25 -0.08 0.00 -1.43 0.00 0.00 32.58 30.73 1q8r s HIS 26 CO 0.04 -0.79 1.08 0.14 -2.00 0.00 0.00 174.74 173.20 1q8r s VAL 27 N -4.08 3.56 0.68 -5.38 -7.23 -1.26 0.14 120.40 106.82 1q8r s VAL 27 Ca 0.32 1.15 -0.06 0.00 -1.81 0.00 0.00 61.98 61.59 1q8r s VAL 27 Cb 0.04 -3.57 0.05 0.00 0.56 0.00 0.00 36.38 33.46 1q8r s VAL 27 CO 0.11 -0.03 0.98 -0.94 -0.31 0.00 0.00 175.10 174.90 1q8r s SER 28 N -1.57 4.92 0.25 4.85 1.04 -0.58 -4.63 113.70 117.98 1q8r s SER 28 Ca 0.61 0.41 -0.14 0.00 0.48 0.00 0.00 55.95 57.31 1q8r s SER 28 Cb -0.23 -1.11 0.32 0.00 0.10 0.00 0.00 66.02 65.10 1q8r s SER 28 CO 0.28 -1.51 1.56 0.00 0.98 0.00 0.00 173.24 174.55 1q8r h ALA 29 N -0.49 0.35 -0.26 5.32 0.00 -1.93 0.17 119.26 122.42 1q8r h ALA 29 Ca -0.44 0.31 -0.07 0.00 0.00 0.00 0.00 54.91 54.72 1q8r h ALA 29 Cb 1.31 0.89 -0.01 0.00 0.00 0.00 0.00 17.79 19.97 1q8r h ALA 29 CO 0.59 -0.53 -0.13 1.49 0.00 0.00 0.00 179.25 180.68 1q8r h GLU 30 N -0.01 0.43 -0.02 0.00 4.81 -1.92 -2.92 114.58 114.96 1q8r h GLU 30 Ca 0.39 -0.12 -0.26 0.00 -0.13 0.00 0.00 59.36 59.24 1q8r h GLU 30 Cb 0.64 -0.05 0.02 0.00 0.63 0.00 0.00 28.75 29.99 1q8r h GLU 30 CO -0.98 0.56 -1.00 0.78 -0.73 0.00 0.00 179.01 177.64 1q8r h GLY 31 N 0.89 0.76 1.44 1.92 0.00 -1.33 -2.92 103.07 103.83 1q8r h GLY 31 Ca 0.08 -1.30 -0.09 0.00 0.00 0.00 0.00 47.33 46.02 1q8r h GLY 31 CO 0.03 1.15 -0.14 -1.61 0.00 0.00 0.00 176.54 175.96 1q8r h GLN 32 N 0.40 0.67 -0.59 4.80 5.75 -1.05 -1.19 115.11 123.90 1q8r h GLN 32 Ca -0.12 -0.22 0.06 0.00 -0.15 0.00 0.00 58.65 58.22 1q8r h GLN 32 Cb 1.65 -0.05 -0.05 0.00 1.07 0.00 0.00 27.48 30.09 1q8r h GLN 32 CO 0.20 0.78 0.30 0.00 -2.65 0.00 0.00 178.83 177.46 1q8r h ALA 33 N 1.24 0.78 -0.32 3.38 0.00 -1.55 -1.38 119.26 121.40 1q8r h ALA 33 Ca 0.10 0.03 -0.04 0.00 0.00 0.00 0.00 54.91 55.00 1q8r h ALA 33 Cb 0.59 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 1q8r h ALA 33 CO 0.04 -0.04 0.05 -0.92 0.00 0.00 0.00 179.25 178.37 1q8r h TYR 34 N 0.57 0.57 -0.68 0.00 3.20 -1.24 -2.17 116.97 117.22 1q8r h TYR 34 Ca 0.27 -0.08 0.08 0.00 3.14 0.00 0.00 58.73 62.14 1q8r h TYR 34 Cb 0.19 -0.16 -0.07 0.00 1.54 0.00 0.00 36.73 38.24 1q8r h TYR 34 CO -0.10 0.62 0.34 0.00 -1.64 0.00 0.00 178.16 177.38 1q8r h ARG 35 N 0.36 0.58 -0.50 1.82 3.08 -0.89 -0.73 114.38 118.10 1q8r h ARG 35 Ca 0.10 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.11 1q8r h ARG 35 Cb 0.36 -0.13 -0.02 0.00 0.08 0.00 0.00 29.97 30.25 1q8r h ARG 35 CO 0.01 0.39 0.32 -0.44 -1.07 0.00 0.00 179.97 179.17 1q8r h ASP 36 N 0.60 0.59 0.05 7.04 3.32 -1.08 0.59 116.42 127.53 1q8r h ASP 36 Ca 0.33 -0.04 -0.00 0.00 0.02 0.00 0.00 57.03 57.34 1q8r h ASP 36 Cb 0.31 -0.15 0.00 0.00 0.22 0.00 0.00 39.33 39.71 1q8r h ASP 36 CO -0.24 0.45 -0.02 -1.13 -1.72 0.00 0.00 179.24 176.57 1q8r h ASN 37 N 0.68 -0.06 -0.83 6.45 -0.73 -0.82 -2.46 115.58 117.80 1q8r h ASN 37 Ca 0.18 -0.07 -0.04 0.00 1.87 0.00 0.00 56.30 58.24 1q8r h ASN 37 Cb -0.04 0.01 -0.04 0.00 0.27 0.00 0.00 38.32 38.52 1q8r h ASN 37 CO -0.04 0.04 0.38 0.58 -0.37 0.00 0.00 177.43 178.02 1q8r h VAL 38 N -0.15 1.26 -0.88 2.57 2.07 -0.96 -2.15 116.25 118.01 1q8r h VAL 38 Ca -0.01 -0.76 -0.01 0.00 0.82 0.00 0.00 66.70 66.74 1q8r h VAL 38 Cb 0.13 0.21 -0.04 0.00 -1.52 0.00 0.00 31.29 30.07 1q8r h VAL 38 CO 0.01 0.32 0.50 0.00 0.02 0.00 0.00 177.57 178.43 1q8r h ALA 39 N 1.21 1.13 -0.41 1.67 0.00 -0.70 -0.01 119.26 122.15 1q8r h ALA 39 Ca 0.28 -0.12 -0.03 0.00 0.00 0.00 0.00 54.91 55.05 1q8r h ALA 39 Cb 0.15 -0.35 -0.02 0.00 0.00 0.00 0.00 17.79 17.57 1q8r h ALA 39 CO -0.03 0.61 0.15 0.00 0.00 0.00 0.00 179.25 179.99 1q8r h ARG 40 N 1.22 0.63 -0.16 0.00 2.47 -1.20 0.18 114.38 117.52 1q8r h ARG 40 Ca 0.31 -0.12 0.02 0.00 -1.26 0.00 0.00 59.98 58.93 1q8r h ARG 40 Cb -0.01 -0.10 -0.02 0.00 -1.65 0.00 0.00 29.97 28.20 1q8r h ARG 40 CO -0.05 0.60 0.03 0.82 0.56 0.00 0.00 179.97 181.92 1q8r h ILE 41 N 0.52 0.93 -0.41 2.04 2.04 -0.99 0.89 117.51 122.54 1q8r h ILE 41 Ca 0.14 -0.03 0.00 0.00 1.00 0.00 0.00 64.86 65.97 1q8r h ILE 41 Cb 0.21 0.82 -0.02 0.00 -0.74 0.00 0.00 36.82 37.10 1q8r h ILE 41 CO -0.01 0.02 0.27 0.40 0.00 0.00 0.00 178.15 178.83 1q8r h ILE 42 N 0.10 1.10 -0.53 -0.67 1.08 -0.92 -1.69 117.51 115.97 1q8r h ILE 42 Ca 0.07 -0.19 -0.10 0.00 -0.39 0.00 0.00 64.86 64.25 1q8r h ILE 42 Cb 0.06 0.50 -0.02 0.00 -3.07 0.00 0.00 36.82 34.30 1q8r h ILE 42 CO -0.09 0.10 -0.08 0.50 -0.69 0.00 0.00 178.15 177.89 1q8r h LYS 43 N 0.55 0.99 -0.12 2.37 3.64 -0.76 -0.78 116.57 122.46 1q8r h LYS 43 Ca 0.15 -0.35 -0.03 0.00 -1.27 0.00 0.00 60.65 59.14 1q8r h LYS 43 Cb -0.06 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 31.68 1q8r h LYS 43 CO -0.03 1.03 -0.08 -0.91 -2.27 0.00 0.00 179.45 177.19 1q8r h ASN 44 N 0.86 0.17 -0.02 4.20 2.35 -0.70 -1.42 115.58 121.02 1q8r h ASN 44 Ca 0.14 -0.02 0.00 0.00 -0.55 0.00 0.00 56.30 55.87 1q8r h ASN 44 Cb 0.63 -0.04 0.00 0.00 0.05 0.00 0.00 38.32 38.96 1q8r h ASN 44 CO 0.04 0.27 0.00 0.00 -1.65 0.00 0.00 177.43 176.09 1q8r n ALA 45 N -2.50 2.63 -2.87 -0.83 0.00 -0.65 -4.92 120.51 111.36 1q8r n ALA 45 Ca -0.01 -0.26 -0.21 0.00 0.00 0.00 0.00 53.44 52.96 1q8r n ALA 45 Cb 0.21 -1.35 0.02 0.00 0.00 0.00 0.00 19.45 18.33 1q8r n ALA 45 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 1q8r n MET 46 N -0.58 -3.78 -0.34 0.00 2.81 -0.54 -4.89 117.12 109.81 1q8r n MET 46 Ca 0.19 0.86 0.08 0.00 -1.81 0.00 0.00 57.70 57.03 1q8r n MET 46 Cb 0.16 -5.64 0.25 0.00 -0.71 0.00 0.00 33.22 27.28 1q8r n MET 46 CO 0.00 0.00 0.00 1.28 1.51 0.00 0.00 175.97 178.76 1q8r n LEU 47 N -3.67 3.64 -3.54 4.03 4.77 -0.34 -4.68 117.00 117.20 1q8r n LEU 47 Ca -0.14 -2.20 -0.41 0.00 -0.03 0.00 0.00 56.01 53.23 1q8r n LEU 47 Cb 0.63 -0.40 -0.01 0.00 -2.33 0.00 0.00 43.42 41.31 1q8r n LEU 47 CO 0.41 0.80 2.93 -0.90 -1.33 0.00 0.00 177.39 179.30 1q8r n ASP 48 N 0.78 6.37 -0.00 -1.43 5.75 -1.25 -4.20 116.55 122.57 1q8r n ASP 48 Ca 0.18 -2.77 0.08 0.00 -0.01 0.00 0.00 54.79 52.28 1q8r n ASP 48 Cb 0.62 -1.58 -0.10 0.00 -1.03 0.00 0.00 41.12 39.03 1q8r n ASP 48 CO 0.00 0.00 0.00 2.30 -0.11 0.00 0.00 177.20 179.39 1q8r n ILE 49 N 4.08 0.00 -3.20 2.12 -5.35 -1.05 -4.85 119.36 111.11 1q8r n ILE 49 Ca 0.63 -0.12 -0.16 0.00 -0.27 0.00 0.00 62.75 62.83 1q8r n ILE 49 Cb 0.31 0.93 0.06 0.00 -1.74 0.00 0.00 39.64 39.20 1q8r n ILE 49 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1q8r n GLY 50 N 1.41 -0.13 3.63 3.28 0.00 0.08 -4.94 105.19 108.52 1q8r n GLY 50 Ca 0.03 -0.02 -0.46 0.00 0.00 0.00 0.00 46.02 45.56 1q8r n GLY 50 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1q8r n LEU 51 N -3.58 2.48 -0.04 0.99 4.77 -0.49 -4.63 117.00 116.50 1q8r n LEU 51 Ca -0.07 1.14 0.01 0.00 -0.03 0.00 0.00 56.01 57.06 1q8r n LEU 51 Cb 0.57 -1.34 0.00 0.00 -2.33 0.00 0.00 43.42 40.32 1q8r n LEU 51 CO 0.46 -0.81 0.18 0.00 -1.33 0.00 0.00 177.39 175.89 1q8r n ALA 52 N 1.77 2.39 -2.36 -1.18 0.00 -1.26 -2.11 120.51 117.76 1q8r n ALA 52 Ca 0.13 -0.35 -0.23 0.00 0.00 0.00 0.00 53.44 52.98 1q8r n ALA 52 Cb 0.29 -0.05 0.01 0.00 0.00 0.00 0.00 19.45 19.69 1q8r n ALA 52 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1q8r s MET 53 N -0.46 3.15 0.37 0.00 0.23 -1.26 -5.00 119.30 116.33 1q8r s MET 53 Ca 0.01 -0.41 -0.27 0.00 -1.03 0.00 0.00 55.69 54.00 1q8r s MET 53 Cb 0.01 -2.55 -0.11 0.00 -1.53 0.00 0.00 34.83 30.64 1q8r s MET 53 CO 0.03 -0.22 1.26 -2.30 -2.03 0.00 0.00 175.02 171.76 1q8r n PRO 54 N -2.06 1.99 -4.15 3.16 -0.02 -1.26 -4.84 135.00 127.81 1q8r n PRO 54 Ca 0.00 0.70 -0.13 0.00 -2.02 0.00 0.00 63.50 62.05 1q8r n PRO 54 Cb 0.57 -2.31 -0.11 0.00 -0.02 0.00 0.00 33.50 31.63 1q8r n PRO 54 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 1q8r s VAL 55 N -1.14 0.80 0.02 -1.45 -7.23 -0.46 0.30 120.40 111.23 1q8r s VAL 55 Ca 0.58 -1.60 0.03 0.00 -1.81 0.00 0.00 61.98 59.18 1q8r s VAL 55 Cb -0.55 -1.28 -0.04 0.00 0.56 0.00 0.00 36.38 35.07 1q8r s VAL 55 CO 0.60 -0.60 -0.02 -0.75 -0.31 0.00 0.00 175.10 174.02 1q8r s LYS 56 N -2.79 2.66 -0.01 4.82 2.20 -0.19 -1.55 119.74 124.88 1q8r s LYS 56 Ca 0.04 -0.69 -0.01 0.00 -0.36 0.00 0.00 55.97 54.95 1q8r s LYS 56 Cb -0.02 -2.59 0.00 0.00 -1.51 0.00 0.00 37.83 33.71 1q8r s LYS 56 CO -0.01 0.60 0.02 -1.50 -0.36 0.00 0.00 175.35 174.10 1q8r s ILE 57 N -1.10 0.00 -0.14 5.43 2.07 0.05 -0.88 121.20 126.62 1q8r s ILE 57 Ca 0.20 -0.01 -0.02 0.00 -1.41 0.00 0.00 60.65 59.41 1q8r s ILE 57 Cb -0.11 -0.04 -0.02 0.00 0.13 0.00 0.00 42.46 42.42 1q8r s ILE 57 CO 0.11 -0.01 -0.09 -0.60 -1.91 0.00 0.00 174.94 172.44 1q8r s ARG 58 N -0.01 3.48 -0.28 3.50 3.52 -0.22 -1.25 118.95 127.69 1q8r s ARG 58 Ca -0.00 -0.63 0.02 0.00 -0.13 0.00 0.00 55.73 54.99 1q8r s ARG 58 Cb -0.00 -2.75 0.06 0.00 -1.56 0.00 0.00 34.95 30.70 1q8r s ARG 58 CO 0.00 0.19 -0.06 0.42 -0.81 0.00 0.00 175.30 175.05 1q8r s ILE 59 N 0.43 2.40 -0.18 4.11 1.01 0.12 -1.51 121.20 127.57 1q8r s ILE 59 Ca -0.08 -1.69 -0.22 0.00 0.00 0.00 0.00 60.65 58.66 1q8r s ILE 59 Cb -0.15 -2.46 -0.02 0.00 0.01 0.00 0.00 42.46 39.84 1q8r s ILE 59 CO 0.04 -0.14 0.70 -1.61 0.00 0.00 0.00 174.94 173.93 1q8r s GLU 60 N 1.11 4.25 -0.54 2.79 2.02 -0.36 -0.79 118.70 127.18 1q8r s GLU 60 Ca -0.05 0.77 -0.14 0.00 0.02 0.00 0.00 54.97 55.57 1q8r s GLU 60 Cb -0.20 -3.57 0.13 0.00 0.10 0.00 0.00 34.13 30.59 1q8r s GLU 60 CO -0.05 -0.26 0.47 0.00 0.02 0.00 0.00 175.26 175.45 1q8r s HIS 62 N 1.43 2.61 0.36 0.00 3.76 0.03 -0.63 115.29 122.85 1q8r s HIS 62 Ca 0.05 -0.05 -0.27 0.00 -0.15 0.00 0.00 55.06 54.64 1q8r s HIS 62 Cb -0.28 -4.34 -0.09 0.00 1.11 0.00 0.00 32.58 28.99 1q8r s HIS 62 CO 0.01 -1.63 1.18 -1.64 -0.85 0.00 0.00 174.74 171.81 1q8r s MET 63 N 4.58 4.24 0.36 1.40 -1.94 -1.20 -1.32 119.30 125.42 1q8r s MET 63 Ca 0.32 1.90 0.25 0.00 -1.71 0.00 0.00 55.69 56.45 1q8r s MET 63 Cb -0.11 -2.86 0.62 0.00 2.01 0.00 0.00 34.83 34.49 1q8r s MET 63 CO 0.18 -0.17 1.70 -1.00 -0.01 0.00 0.00 175.02 175.72 1q8r h PRO 64 N 3.03 0.00 0.00 2.03 0.13 -1.85 -0.85 132.00 134.49 1q8r h PRO 64 Ca -0.48 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 1q8r h PRO 64 Cb 1.23 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.36 1q8r h PRO 64 CO 0.64 0.00 0.00 -0.40 -0.23 0.00 0.00 178.00 178.01 1q8r n ASP 65 N -2.78 0.00 -1.61 1.44 3.85 -1.26 -4.31 116.55 111.88 1q8r n ASP 65 Ca 0.04 -0.82 0.08 0.00 -0.71 0.00 0.00 54.79 53.38 1q8r n ASP 65 Cb 0.46 0.00 0.36 0.00 -1.35 0.00 0.00 41.12 40.60 1q8r n ASP 65 CO 0.00 0.00 0.00 -2.11 -1.01 0.00 0.00 177.20 174.08 1q8r n ARG 66 N 0.00 4.28 -2.64 0.11 1.85 -1.26 -4.90 116.66 114.10 1q8r n ARG 66 Ca 0.00 -3.04 -0.35 0.00 -1.00 0.00 0.00 57.85 53.46 1q8r n ARG 66 Cb 0.00 -2.11 -0.05 0.00 -1.05 0.00 0.00 32.46 29.25 1q8r n ARG 66 CO 0.00 0.00 0.00 1.03 -0.01 0.00 0.00 177.63 178.65 1q8r s ARG 67 N -2.63 4.13 -0.30 2.89 0.52 -1.26 -4.90 118.95 117.40 1q8r s ARG 67 Ca 0.51 1.35 -0.33 0.00 -0.52 0.00 0.00 55.73 56.75 1q8r s ARG 67 Cb 0.38 -2.37 -0.09 0.00 0.52 0.00 0.00 34.95 33.40 1q8r s ARG 67 CO 0.16 -0.14 2.20 2.89 0.02 0.00 0.00 175.30 180.43 1q8r n ARG 68 N -0.37 1.37 -3.56 3.54 -4.01 -1.26 -4.90 116.66 107.47 1q8r n ARG 68 Ca 0.06 0.37 -0.29 0.00 -1.04 0.00 0.00 57.85 56.95 1q8r n ARG 68 Cb 0.51 -2.72 -0.14 0.00 -3.04 0.00 0.00 32.46 27.07 1q8r n ARG 68 CO 0.00 0.00 0.00 1.03 -3.04 0.00 0.00 177.63 175.62 1q8r s ARG 69 N 6.27 0.48 -0.67 2.89 0.52 -1.26 -5.08 118.95 122.09 1q8r s ARG 69 Ca 1.07 -1.00 -0.24 0.00 -0.52 0.00 0.00 55.73 55.04 1q8r s ARG 69 Cb -0.68 -1.43 -0.16 0.00 0.52 0.00 0.00 34.95 33.20 1q8r s ARG 69 CO 0.44 -1.09 1.91 -0.25 0.02 0.00 0.00 175.30 176.33 1q8r n ASP 70 N 4.65 0.27 -0.30 0.23 8.00 -1.26 -4.76 116.55 123.38 1q8r n ASP 70 Ca 0.02 0.19 0.20 0.00 0.71 0.00 0.00 54.79 55.91 1q8r n ASP 70 Cb 0.40 -0.67 0.49 0.00 -0.02 0.00 0.00 41.12 41.32 1q8r n ASP 70 CO 0.00 0.00 0.00 0.25 -0.39 0.00 0.00 177.20 177.06 1q8r h LEU 71 N 8.41 0.47 -0.24 0.64 6.46 -2.00 0.22 115.31 129.27 1q8r h LEU 71 Ca -0.04 0.07 0.00 0.00 -0.12 0.00 0.00 57.88 57.79 1q8r h LEU 71 Cb 0.97 -0.01 0.00 0.00 -0.73 0.00 0.00 40.66 40.89 1q8r h LEU 71 CO 0.98 0.14 0.00 -0.90 -0.62 0.00 0.00 178.44 178.04 1q8r n ASP 72 N -4.59 0.35 -1.13 1.25 5.75 -1.26 -3.30 116.55 113.62 1q8r n ASP 72 Ca 0.23 -1.51 0.07 0.00 -0.01 0.00 0.00 54.79 53.57 1q8r n ASP 72 Cb 0.78 -0.02 0.29 0.00 -1.03 0.00 0.00 41.12 41.13 1q8r n ASP 72 CO 0.00 0.00 0.00 0.59 -0.11 0.00 0.00 177.20 177.68 1q8r n ASN 73 N -0.54 4.19 0.00 -1.12 3.02 0.76 -4.70 115.26 116.87 1q8r n ASN 73 Ca 0.14 -3.05 0.00 0.00 -0.03 0.00 0.00 54.58 51.63 1q8r n ASN 73 Cb 0.12 -0.58 0.00 0.00 -0.61 0.00 0.00 39.78 38.70 1q8r n ASN 73 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 1q8r n LEU 74 N -0.33 1.50 -0.02 3.41 4.77 -1.21 0.16 117.00 125.29 1q8r n LEU 74 Ca 0.24 -1.50 0.06 0.00 -0.03 0.00 0.00 56.01 54.77 1q8r n LEU 74 Cb 0.98 0.00 -0.15 0.00 -2.33 0.00 0.00 43.42 41.92 1q8r n LEU 74 CO 0.20 0.38 -0.77 0.00 -1.33 0.00 0.00 177.39 175.86 1q8r n GLN 75 N -0.31 0.66 -0.18 3.23 0.00 -1.26 -4.53 117.38 114.98 1q8r n GLN 75 Ca 0.00 -0.11 -0.09 0.00 0.00 0.00 0.00 57.00 56.80 1q8r n GLN 75 Cb 0.21 -1.56 0.01 0.00 0.00 0.00 0.00 30.24 28.90 1q8r n GLN 75 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.06 177.93 1q8r h LYS 76 N 0.00 0.87 -0.47 2.61 1.57 -1.92 -1.66 116.57 117.57 1q8r h LYS 76 Ca -0.13 -0.24 -0.07 0.00 -1.87 0.00 0.00 60.65 58.34 1q8r h LYS 76 Cb 1.32 -0.10 -0.02 0.00 0.08 0.00 0.00 32.23 33.51 1q8r h LYS 76 CO 0.01 0.86 0.03 0.00 -0.57 0.00 0.00 179.45 179.78 1q8r h ALA 77 N 0.97 0.63 0.15 3.86 0.00 -1.83 -1.04 119.26 122.01 1q8r h ALA 77 Ca 0.16 -0.26 -0.01 0.00 0.00 0.00 0.00 54.91 54.80 1q8r h ALA 77 Cb 0.42 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.04 1q8r h ALA 77 CO 0.01 0.40 -0.07 0.00 0.00 0.00 0.00 179.25 179.59 1q8r h ALA 78 N 0.93 -0.20 -0.46 0.00 0.00 -1.76 0.23 119.26 117.99 1q8r h ALA 78 Ca 0.14 -0.06 0.06 0.00 0.00 0.00 0.00 54.91 55.04 1q8r h ALA 78 Cb 0.46 0.08 -0.05 0.00 0.00 0.00 0.00 17.79 18.28 1q8r h ALA 78 CO 0.02 -0.59 0.18 0.74 0.00 0.00 0.00 179.25 179.60 1q8r h PHE 79 N -0.25 0.33 -0.21 0.00 -1.00 -1.21 0.10 116.94 114.70 1q8r h PHE 79 Ca -0.02 0.02 -0.01 0.00 2.81 0.00 0.00 57.97 60.77 1q8r h PHE 79 Cb 0.19 -0.08 -0.01 0.00 3.61 0.00 0.00 35.95 39.67 1q8r h PHE 79 CO -0.05 0.13 0.09 0.22 -1.61 0.00 0.00 178.31 177.09 1q8r h ASP 80 N 0.37 0.28 -0.78 2.17 3.58 -0.98 -2.38 116.42 118.67 1q8r h ASP 80 Ca 0.21 -0.14 -0.02 0.00 0.42 0.00 0.00 57.03 57.50 1q8r h ASP 80 Cb 0.19 -0.07 -0.04 0.00 1.72 0.00 0.00 39.33 41.13 1q8r h ASP 80 CO -0.20 0.34 0.42 0.00 -2.88 0.00 0.00 179.24 176.92 1q8r h ALA 81 N 0.94 1.24 -0.44 -0.78 0.00 -0.31 -1.03 119.26 118.89 1q8r h ALA 81 Ca 0.07 -0.13 -0.09 0.00 0.00 0.00 0.00 54.91 54.76 1q8r h ALA 81 Cb 0.15 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.60 1q8r h ALA 81 CO -0.01 0.60 -0.09 -0.07 0.00 0.00 0.00 179.25 179.69 1q8r h LEU 82 N 1.11 0.76 -0.18 0.00 3.38 -0.89 -0.57 115.31 118.92 1q8r h LEU 82 Ca 0.28 -0.22 -0.01 0.00 0.09 0.00 0.00 57.88 58.02 1q8r h LEU 82 Cb 0.05 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.59 1q8r h LEU 82 CO -0.04 0.88 0.07 0.74 0.09 0.00 0.00 178.44 180.17 1q8r h THR 83 N 0.70 1.16 0.00 0.22 2.02 -0.90 -1.30 112.91 114.82 1q8r h THR 83 Ca 0.12 -0.49 -0.04 0.00 0.77 0.00 0.00 66.41 66.78 1q8r h THR 83 Cb 0.56 1.16 -0.01 0.00 -1.74 0.00 0.00 68.15 68.12 1q8r h THR 83 CO 0.03 0.15 -0.17 0.11 0.37 0.00 0.00 175.52 176.02 1q8r h LYS 84 N 0.13 0.00 -0.00 6.66 1.79 -1.02 -2.19 116.57 121.94 1q8r h LYS 84 Ca 0.06 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.53 1q8r h LYS 84 Cb 0.18 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.83 1q8r h LYS 84 CO -0.00 0.17 -0.16 0.00 -1.08 0.00 0.00 179.45 178.38 1q8r n ALA 85 N -2.18 2.74 -0.77 3.86 0.00 -0.24 -4.92 120.51 119.00 1q8r n ALA 85 Ca 0.01 -0.19 0.00 0.00 0.00 0.00 0.00 53.44 53.26 1q8r n ALA 85 Cb 0.43 -1.35 0.00 0.00 0.00 0.00 0.00 19.45 18.53 1q8r n ALA 85 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1q8r n GLY 86 N 1.47 0.55 0.06 0.00 0.00 -0.82 -4.65 105.19 101.79 1q8r n GLY 86 Ca 0.08 -0.62 -0.13 0.00 0.00 0.00 0.00 46.02 45.35 1q8r n GLY 86 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1q8r h PHE 87 N 0.00 0.02 -2.46 1.61 3.57 -1.41 0.34 116.94 118.61 1q8r h PHE 87 Ca 0.00 -0.01 -0.52 0.00 3.53 0.00 0.00 57.97 60.97 1q8r h PHE 87 Cb 0.00 -0.01 -0.14 0.00 2.79 0.00 0.00 35.95 38.60 1q8r h PHE 87 CO 0.00 0.44 -0.60 1.67 -2.23 0.00 0.00 178.31 177.59 1q8r s TRP 88 N -4.52 2.11 0.01 0.41 -2.14 -1.24 -1.39 118.94 112.18 1q8r s TRP 88 Ca -0.15 -0.89 0.08 0.00 2.66 0.00 0.00 56.10 57.80 1q8r s TRP 88 Cb 0.02 -1.42 -0.23 0.00 -3.10 0.00 0.00 33.47 28.74 1q8r s TRP 88 CO 0.68 0.12 0.87 -0.07 -2.66 0.00 0.00 176.95 175.89 1q8r h LEU 89 N 1.99 0.06 -7.00 -4.66 4.07 -1.68 -3.40 115.31 104.69 1q8r h LEU 89 Ca -0.42 -0.10 0.01 0.00 0.08 0.00 0.00 57.88 57.45 1q8r h LEU 89 Cb 1.25 -0.02 -0.23 0.00 1.08 0.00 0.00 40.66 42.73 1q8r h LEU 89 CO 0.72 1.09 0.29 -0.62 -1.08 0.00 0.00 178.44 178.85 1q8r s ASP 90 N -6.42 -0.60 0.00 -0.43 2.15 -1.26 -5.01 116.67 105.10 1q8r s ASP 90 Ca -0.04 1.13 0.17 0.00 0.43 0.00 0.00 52.55 54.23 1q8r s ASP 90 Cb 0.08 1.13 0.81 0.00 -0.30 0.00 0.00 42.92 44.65 1q8r s ASP 90 CO 0.82 -0.22 1.50 -0.90 -0.17 0.00 0.00 175.17 176.20 1q8r n ASP 91 N 2.35 0.00 0.20 -0.34 5.68 -1.26 -1.40 116.55 121.79 1q8r n ASP 91 Ca -0.13 0.16 0.14 0.00 -0.50 0.00 0.00 54.79 54.45 1q8r n ASP 91 Cb 0.56 -0.34 0.72 0.00 -1.14 0.00 0.00 41.12 40.92 1q8r n ASP 91 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1q8r h ALA 92 N 2.74 1.00 0.00 2.12 0.00 -1.99 -1.88 119.26 121.24 1q8r h ALA 92 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1q8r h ALA 92 Cb 0.19 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.98 1q8r h ALA 92 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 179.25 181.21 1q8r h GLN 93 N 0.00 0.00 -6.36 0.00 4.20 -1.57 -3.42 115.11 107.95 1q8r h GLN 93 Ca 0.00 0.00 -0.57 0.00 0.06 0.00 0.00 58.65 58.14 1q8r h GLN 93 Cb 0.06 0.00 -0.04 0.00 0.30 0.00 0.00 27.48 27.80 1q8r h GLN 93 CO 0.00 0.00 1.16 0.08 -0.67 0.00 0.00 178.83 179.40 1q8r s VAL 94 N -3.42 3.70 -1.78 -0.54 1.01 -0.71 -1.35 120.40 117.30 1q8r s VAL 94 Ca 0.04 0.73 0.15 0.00 0.00 0.00 0.00 61.98 62.90 1q8r s VAL 94 Cb 0.09 -3.86 0.10 0.00 0.00 0.00 0.00 36.38 32.70 1q8r s VAL 94 CO 0.51 -0.50 0.94 1.33 0.00 0.00 0.00 175.10 177.38 1q8r n VAL 95 N 7.02 0.00 -3.34 2.92 0.24 -0.60 -4.92 118.33 119.66 1q8r n VAL 95 Ca 0.19 -0.47 0.02 0.00 -2.04 0.00 0.00 64.34 62.05 1q8r n VAL 95 Cb 0.47 1.29 -0.03 0.00 -1.47 0.00 0.00 33.84 34.10 1q8r n VAL 95 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 1q8r s ASP 96 N -1.36 -1.03 0.05 -1.34 -1.08 -1.25 -5.03 116.67 105.64 1q8r s ASP 96 Ca 0.17 0.97 0.04 0.00 -0.52 0.00 0.00 52.55 53.21 1q8r s ASP 96 Cb 0.12 1.99 -0.02 0.00 -1.46 0.00 0.00 42.92 43.55 1q8r s ASP 96 CO 0.22 -0.19 -0.12 -0.72 0.52 0.00 0.00 175.17 174.88 1q8r s TYR 97 N 2.81 1.05 -0.03 -5.34 -0.85 -1.26 -0.77 117.35 112.96 1q8r s TYR 97 Ca 0.06 -0.42 0.01 0.00 -0.52 0.00 0.00 57.07 56.19 1q8r s TYR 97 Cb -0.12 -0.61 0.02 0.00 0.38 0.00 0.00 41.96 41.64 1q8r s TYR 97 CO -0.18 0.01 -0.02 0.50 -1.52 0.00 0.00 175.55 174.34 1q8r s ARG 98 N -1.45 0.46 -0.10 -3.49 3.52 -0.38 -4.98 118.95 112.53 1q8r s ARG 98 Ca -0.03 -0.00 0.04 0.00 -0.13 0.00 0.00 55.73 55.60 1q8r s ARG 98 Cb -0.09 -0.56 0.00 0.00 -1.56 0.00 0.00 34.95 32.74 1q8r s ARG 98 CO 0.01 -0.09 -0.23 0.08 -0.81 0.00 0.00 175.30 174.27 1q8r s VAL 99 N 0.85 1.98 -0.07 7.11 1.01 -1.26 0.13 120.40 130.15 1q8r s VAL 99 Ca -0.09 -0.97 -0.00 0.00 0.00 0.00 0.00 61.98 60.92 1q8r s VAL 99 Cb -0.13 -1.72 0.02 0.00 0.00 0.00 0.00 36.38 34.55 1q8r s VAL 99 CO -0.01 0.54 -0.04 -0.69 0.00 0.00 0.00 175.10 174.91 1q8r s VAL 100 N 0.46 0.59 0.10 2.92 1.01 0.03 -4.98 120.40 120.52 1q8r s VAL 100 Ca -0.16 -0.07 -0.31 0.00 0.00 0.00 0.00 61.98 61.44 1q8r s VAL 100 Cb -0.17 -0.66 -0.07 0.00 0.00 0.00 0.00 36.38 35.48 1q8r s VAL 100 CO 0.07 0.27 1.29 -0.75 0.00 0.00 0.00 175.10 175.97 1q8r s LYS 101 N 1.47 4.38 0.34 2.72 2.20 -1.26 -0.26 119.74 129.32 1q8r s LYS 101 Ca -0.02 1.92 0.09 0.00 -0.36 0.00 0.00 55.97 57.60 1q8r s LYS 101 Cb -0.13 -3.29 -0.07 0.00 -1.51 0.00 0.00 37.83 32.83 1q8r s LYS 101 CO -0.03 -0.33 -0.08 -1.64 -0.36 0.00 0.00 175.35 172.91 1q8r s MET 102 N 0.97 1.79 0.82 4.03 -1.94 0.20 -4.87 119.30 120.29 1q8r s MET 102 Ca 0.61 -1.93 -0.14 0.00 -1.71 0.00 0.00 55.69 52.52 1q8r s MET 102 Cb -0.33 -1.59 0.05 0.00 2.01 0.00 0.00 34.83 34.96 1q8r s MET 102 CO 0.30 0.10 0.91 -2.30 -0.01 0.00 0.00 175.02 174.02 1q8r n PRO 103 N -0.77 0.11 -2.11 2.03 -0.02 -1.26 -3.50 135.00 129.47 1q8r n PRO 103 Ca -0.05 0.10 -0.40 0.00 -2.02 0.00 0.00 63.50 61.13 1q8r n PRO 103 Cb 0.64 -2.19 -0.02 0.00 -0.02 0.00 0.00 33.50 31.91 1q8r n PRO 103 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1q8r s VAL 104 N -2.13 2.72 0.01 -1.45 1.01 -1.26 -3.26 120.40 116.04 1q8r s VAL 104 Ca 0.69 0.71 0.00 0.00 0.00 0.00 0.00 61.98 63.38 1q8r s VAL 104 Cb -0.29 -3.45 -0.01 0.00 0.00 0.00 0.00 36.38 32.63 1q8r s VAL 104 CO 0.56 0.16 -0.02 0.28 0.00 0.00 0.00 175.10 176.07 1q8r s THR 105 N -1.16 0.10 0.13 3.92 -1.32 -0.32 -4.90 115.64 112.09 1q8r s THR 105 Ca 0.50 -0.46 -0.33 0.00 -1.21 0.00 0.00 61.69 60.19 1q8r s THR 105 Cb -0.39 -0.17 -0.13 0.00 -1.51 0.00 0.00 72.50 70.30 1q8r s THR 105 CO 0.52 -0.22 1.70 2.29 -2.21 0.00 0.00 174.62 176.69 1q8r n LYS 106 N 2.36 2.41 0.00 7.08 0.00 -1.26 -0.98 118.16 127.77 1q8r n LYS 106 Ca -0.18 0.87 0.00 0.00 -0.00 0.00 0.00 58.31 59.00 1q8r n LYS 106 Cb 0.57 -2.69 0.00 0.00 -0.00 0.00 0.00 35.03 32.91 1q8r n LYS 106 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1q8r n GLY 107 N 3.81 2.59 0.00 2.58 0.00 -1.26 -4.89 105.19 108.02 1q8r n GLY 107 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.20 1q8r n GLY 107 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1q8r n GLY 108 N -1.48 -2.62 3.59 -0.02 0.00 -0.15 -4.54 105.19 99.96 1q8r n GLY 108 Ca 0.00 -1.45 -0.10 0.00 0.00 0.00 0.00 46.02 44.47 1q8r n GLY 108 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1q8r s ARG 109 N -3.01 1.48 -0.13 1.61 1.70 -0.44 -4.16 118.95 116.00 1q8r s ARG 109 Ca 0.00 -0.67 -0.00 0.00 -0.47 0.00 0.00 55.73 54.59 1q8r s ARG 109 Cb 0.00 0.60 -0.01 0.00 -0.57 0.00 0.00 34.95 34.96 1q8r s ARG 109 CO 0.00 -0.66 -0.13 -0.51 -1.08 0.00 0.00 175.30 172.92 1q8r s LEU 110 N -2.82 2.70 -0.23 -1.89 1.43 0.13 -0.79 118.68 117.22 1q8r s LEU 110 Ca 0.05 -0.33 -0.04 0.00 -1.03 0.00 0.00 54.13 52.78 1q8r s LEU 110 Cb -0.03 -1.61 -0.00 0.00 0.03 0.00 0.00 46.19 44.58 1q8r s LEU 110 CO -0.05 0.16 -0.05 -1.61 0.23 0.00 0.00 176.35 175.04 1q8r s GLU 111 N 0.36 3.27 -0.07 1.70 2.02 -0.60 -0.22 118.70 125.16 1q8r s GLU 111 Ca -0.11 -0.70 -0.02 0.00 0.02 0.00 0.00 54.97 54.16 1q8r s GLU 111 Cb -0.16 -3.01 -0.04 0.00 0.10 0.00 0.00 34.13 31.03 1q8r s GLU 111 CO 0.06 -0.24 0.04 -0.51 0.02 0.00 0.00 175.26 174.63 1q8r s LEU 112 N 1.45 3.79 -0.12 1.80 1.02 0.10 -1.22 118.68 125.50 1q8r s LEU 112 Ca 0.05 0.19 0.00 0.00 0.02 0.00 0.00 54.13 54.40 1q8r s LEU 112 Cb -0.15 -1.97 0.02 0.00 0.02 0.00 0.00 46.19 44.11 1q8r s LEU 112 CO -0.04 0.36 -0.12 -0.89 0.02 0.00 0.00 176.35 175.68 1q8r s THR 113 N -0.99 1.33 -0.10 5.49 2.01 -0.57 -1.39 115.64 121.42 1q8r s THR 113 Ca 0.16 -0.49 0.03 0.00 0.31 0.00 0.00 61.69 61.70 1q8r s THR 113 Cb -0.12 -1.27 -0.01 0.00 0.01 0.00 0.00 72.50 71.12 1q8r s THR 113 CO 0.06 0.42 -0.21 -0.63 -0.69 0.00 0.00 174.62 173.56 1q8r s ILE 114 N 1.45 2.37 -0.12 1.82 1.09 0.14 -1.06 121.20 126.88 1q8r s ILE 114 Ca 0.02 -0.92 0.03 0.00 -1.10 0.00 0.00 60.65 58.68 1q8r s ILE 114 Cb -0.13 -1.93 0.01 0.00 -1.06 0.00 0.00 42.46 39.35 1q8r s ILE 114 CO -0.08 0.55 -0.21 -0.89 -0.10 0.00 0.00 174.94 174.22 1q8r s THR 115 N 0.23 1.90 0.31 2.92 2.01 -0.06 -0.46 115.64 122.49 1q8r s THR 115 Ca -0.13 -0.90 -0.29 0.00 0.31 0.00 0.00 61.69 60.68 1q8r s THR 115 Cb -0.17 -1.68 -0.10 0.00 0.01 0.00 0.00 72.50 70.56 1q8r s THR 115 CO 0.07 0.52 1.43 -1.61 -0.69 0.00 0.00 174.62 174.34 1q8r s GLU 116 N 0.74 4.24 -0.04 4.92 2.02 -0.61 -1.02 118.70 128.94 1q8r s GLU 116 Ca -0.10 2.37 0.04 0.00 0.02 0.00 0.00 54.97 57.31 1q8r s GLU 116 Cb -0.16 -3.05 -0.06 0.00 0.10 0.00 0.00 34.13 30.96 1q8r s GLU 116 CO 0.01 -0.40 0.03 -1.33 0.02 0.00 0.00 175.26 173.58 1q8r n MET 117 N 1.41 2.85 0.00 1.61 2.81 0.15 -4.68 117.12 121.25 1q8r n MET 117 Ca 0.03 -0.01 0.09 0.00 -1.81 0.00 0.00 57.70 56.00 1q8r n MET 117 Cb 0.40 -1.12 0.07 0.00 -0.71 0.00 0.00 33.22 31.87 1q8r n MET 117 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89