#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1o8r s THR 2 N 0.00 1.82 -0.47 2.52 2.01 -1.21 -4.87 115.64 115.44 1o8r s THR 2 Ca 0.00 -1.49 -0.29 0.00 0.31 0.00 0.00 61.69 60.22 1o8r s THR 2 Cb 0.00 -1.62 0.03 0.00 0.01 0.00 0.00 72.50 70.91 1o8r s THR 2 CO 0.00 0.06 1.15 -0.69 -0.69 0.00 0.00 174.62 174.44 1o8r s VAL 3 N -1.03 4.21 -0.22 3.82 1.01 -0.14 -1.93 120.40 126.12 1o8r s VAL 3 Ca 0.08 1.24 -0.05 0.00 0.00 0.00 0.00 61.98 63.26 1o8r s VAL 3 Cb -0.10 -4.58 -0.01 0.00 0.00 0.00 0.00 36.38 31.68 1o8r s VAL 3 CO 0.04 -0.98 -0.02 -1.58 0.00 0.00 0.00 175.10 172.56 1o8r s GLN 4 N 4.44 3.47 0.00 2.72 0.74 -0.78 0.19 119.66 130.43 1o8r s GLN 4 Ca 0.48 -0.58 0.21 0.00 0.05 0.00 0.00 55.36 55.52 1o8r s GLN 4 Cb -0.08 -3.06 0.53 0.00 1.10 0.00 0.00 33.01 31.50 1o8r s GLN 4 CO 0.31 -0.15 1.45 -0.25 -0.55 0.00 0.00 175.29 176.10 1o8r n ASP 5 N 4.69 2.88 0.00 6.67 8.00 -1.25 -4.81 116.55 132.73 1o8r n ASP 5 Ca -0.18 -1.92 0.00 0.00 0.71 0.00 0.00 54.79 53.40 1o8r n ASP 5 Cb 0.51 -0.24 0.00 0.00 -0.02 0.00 0.00 41.12 41.37 1o8r n ASP 5 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1o8r n GLY 6 N 1.38 1.53 0.00 0.44 0.00 -1.26 -4.96 105.19 102.32 1o8r n GLY 6 Ca 0.18 0.04 0.11 0.00 0.00 0.00 0.00 46.02 46.35 1o8r n GLY 6 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1o8r n ASN 7 N 0.00 0.00 -4.20 1.61 5.03 -1.26 -4.72 115.26 111.72 1o8r n ASN 7 Ca 0.00 -1.31 -0.31 0.00 0.87 0.00 0.00 54.58 53.83 1o8r n ASN 7 Cb 0.00 0.00 -0.17 0.00 -1.02 0.00 0.00 39.78 38.59 1o8r n ASN 7 CO 0.00 0.00 0.00 -0.36 -1.83 0.00 0.00 177.26 175.07 1o8r s PHE 8 N -2.00 2.37 0.06 3.10 0.08 -1.26 -5.11 117.98 115.21 1o8r s PHE 8 Ca 0.32 -0.91 -0.30 0.00 0.12 0.00 0.00 56.93 56.17 1o8r s PHE 8 Cb 0.15 -1.59 -0.04 0.00 -0.57 0.00 0.00 43.02 40.97 1o8r s PHE 8 CO 0.25 -0.36 0.97 -1.12 -0.10 0.00 0.00 175.22 174.86 1o8r s SER 9 N 0.28 7.43 -0.13 1.36 0.01 -1.26 -3.76 113.70 117.63 1o8r s SER 9 Ca -0.15 1.73 0.01 0.00 1.31 0.00 0.00 55.95 58.85 1o8r s SER 9 Cb -0.17 -2.58 -0.01 0.00 0.21 0.00 0.00 66.02 63.48 1o8r s SER 9 CO 0.07 -0.17 -0.17 -0.36 0.41 0.00 0.00 173.24 173.02 1o8r s PHE 10 N 0.51 2.72 0.84 2.43 0.08 0.50 -4.91 117.98 120.14 1o8r s PHE 10 Ca 0.50 -0.87 -0.11 0.00 0.12 0.00 0.00 56.93 56.57 1o8r s PHE 10 Cb -0.22 -1.81 0.09 0.00 -0.57 0.00 0.00 43.02 40.51 1o8r s PHE 10 CO 0.29 -0.34 1.09 -1.12 -0.10 0.00 0.00 175.22 175.04 1o8r s SER 11 N 0.46 3.95 0.11 1.36 0.01 -1.26 -0.97 113.70 117.36 1o8r s SER 11 Ca -0.12 1.69 0.16 0.00 1.31 0.00 0.00 55.95 58.99 1o8r s SER 11 Cb -0.16 -2.37 -0.10 0.00 0.21 0.00 0.00 66.02 63.60 1o8r s SER 11 CO 0.05 -2.37 0.98 -0.07 0.41 0.00 0.00 173.24 172.25 1o8r h LEU 12 N -1.36 0.00 0.41 2.44 4.07 -1.92 -3.35 115.31 115.59 1o8r h LEU 12 Ca -0.46 0.00 -0.02 0.00 0.08 0.00 0.00 57.88 57.48 1o8r h LEU 12 Cb 1.26 0.00 0.00 0.00 1.08 0.00 0.00 40.66 43.00 1o8r h LEU 12 CO 0.52 0.59 -0.20 -0.08 -1.08 0.00 0.00 178.44 178.19 1o8r h GLU 13 N 0.00 -0.53 -0.72 1.13 4.81 -1.90 0.37 114.58 117.75 1o8r h GLU 13 Ca -0.12 0.04 0.12 0.00 -0.13 0.00 0.00 59.36 59.26 1o8r h GLU 13 Cb 1.56 0.12 -0.13 0.00 0.63 0.00 0.00 28.75 30.93 1o8r h GLU 13 CO 0.05 -0.35 -0.37 0.77 -0.73 0.00 0.00 179.01 178.38 1o8r h SER 14 N -0.59 -1.31 -0.15 1.04 0.02 -1.94 0.89 113.55 111.51 1o8r h SER 14 Ca -0.06 0.26 -0.00 0.00 -0.84 0.00 0.00 61.79 61.15 1o8r h SER 14 Cb 0.42 0.65 -0.01 0.00 0.14 0.00 0.00 62.40 63.61 1o8r h SER 14 CO 0.09 -0.30 0.09 -0.37 -1.14 0.00 0.00 176.83 175.20 1o8r h VAL 15 N -0.12 1.09 0.51 2.27 -1.51 -1.68 1.80 116.25 118.61 1o8r h VAL 15 Ca 0.26 -0.25 -0.02 0.00 -1.23 0.00 0.00 66.70 65.46 1o8r h VAL 15 Cb 0.56 0.98 0.00 0.00 -2.13 0.00 0.00 31.29 30.70 1o8r h VAL 15 CO -0.78 0.09 -0.28 0.50 -1.23 0.00 0.00 177.57 175.87 1o8r h LYS 16 N 0.15 -0.70 -0.01 5.19 3.64 0.16 -1.42 116.57 123.58 1o8r h LYS 16 Ca 0.05 0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.48 1o8r h LYS 16 Cb 0.06 0.16 0.00 0.00 -0.41 0.00 0.00 32.23 32.04 1o8r h LYS 16 CO -0.01 -0.47 0.00 1.63 -2.27 0.00 0.00 179.45 178.33 1o8r n LYS 17 N -5.41 1.04 0.11 1.90 4.76 0.29 -3.56 118.16 117.29 1o8r n LYS 17 Ca -0.12 -0.06 -0.03 0.00 -2.87 0.00 0.00 58.31 55.23 1o8r n LYS 17 Cb 0.31 -1.17 0.12 0.00 -1.84 0.00 0.00 35.03 32.45 1o8r n LYS 17 CO 0.00 0.00 0.00 1.25 -1.37 0.00 0.00 177.40 177.28 1o8r h LEU 18 N 0.10 0.09 -1.10 -0.35 5.85 0.39 -3.09 115.31 117.20 1o8r h LEU 18 Ca 0.00 -0.05 0.09 0.00 0.84 0.00 0.00 57.88 58.75 1o8r h LEU 18 Cb 0.02 -0.03 -0.07 0.00 0.37 0.00 0.00 40.66 40.96 1o8r h LEU 18 CO 0.00 0.73 0.61 0.50 -0.34 0.00 0.00 178.44 179.94 1o8r h LYS 19 N 0.05 0.99 -4.27 1.25 1.63 -1.65 -3.32 116.57 111.25 1o8r h LYS 19 Ca -0.01 -0.06 -0.70 0.00 -0.85 0.00 0.00 60.65 59.03 1o8r h LYS 19 Cb 1.19 -0.22 -0.33 0.00 -0.60 0.00 0.00 32.23 32.26 1o8r h LYS 19 CO 0.09 0.66 -0.47 0.16 -3.45 0.00 0.00 179.45 176.44 1o8r s ASP 20 N -5.89 5.37 -0.40 4.20 -4.77 -1.17 -5.06 116.67 108.95 1o8r s ASP 20 Ca -0.12 -2.17 -0.28 0.00 -3.30 0.00 0.00 52.55 46.68 1o8r s ASP 20 Cb 0.21 -1.88 0.02 0.00 -1.09 0.00 0.00 42.92 40.18 1o8r s ASP 20 CO 0.80 -0.54 1.08 -0.22 0.70 0.00 0.00 175.17 176.99 1o8r s LEU 21 N 0.95 3.82 -0.04 2.11 1.98 -1.25 -4.96 118.68 121.28 1o8r s LEU 21 Ca 0.09 0.70 -0.02 0.00 -2.89 0.00 0.00 54.13 52.02 1o8r s LEU 21 Cb -0.23 -3.50 0.02 0.00 0.66 0.00 0.00 46.19 43.15 1o8r s LEU 21 CO -0.03 -1.04 0.09 -1.10 -1.89 0.00 0.00 176.35 172.38 1o8r s GLN 22 N 3.98 0.07 0.49 1.98 -0.21 -1.26 -5.08 119.66 119.63 1o8r s GLN 22 Ca 0.45 0.22 0.00 0.00 0.02 0.00 0.00 55.36 56.06 1o8r s GLN 22 Cb -0.10 -0.10 0.00 0.00 1.00 0.00 0.00 33.01 33.81 1o8r s GLN 22 CO 0.23 -0.10 0.00 0.39 -2.12 0.00 0.00 175.29 173.69 1o8r n GLU 23 N 3.70 -5.05 -1.26 2.91 1.02 -1.26 -4.76 120.64 115.94 1o8r n GLU 23 Ca -0.21 3.71 -0.34 0.00 -0.02 0.00 0.00 57.16 60.31 1o8r n GLU 23 Cb 0.55 -4.16 0.11 0.00 -0.02 0.00 0.00 31.44 27.92 1o8r n GLU 23 CO 0.00 0.00 0.00 -2.14 1.18 0.00 0.00 177.13 176.17 1o8r s PRO 24 N -2.94 1.88 2.52 3.49 0.02 -1.26 -4.73 135.00 133.97 1o8r s PRO 24 Ca 0.00 1.74 0.00 0.00 0.02 0.00 0.00 61.00 62.76 1o8r s PRO 24 Cb 0.00 -1.80 0.00 0.00 0.02 0.00 0.00 34.50 32.72 1o8r s PRO 24 CO 0.00 -2.03 0.00 1.04 -0.33 0.00 0.00 177.00 175.68 1o8r n GLN 25 N -3.04 0.00 -3.69 5.54 6.02 -1.26 -4.42 117.38 116.53 1o8r n GLN 25 Ca 0.13 0.00 -0.39 0.00 -0.01 0.00 0.00 57.00 56.73 1o8r n GLN 25 Cb 0.50 0.00 -0.12 0.00 1.02 0.00 0.00 30.24 31.65 1o8r n GLN 25 CO 0.00 0.00 0.00 -1.21 -1.01 0.00 0.00 177.06 174.84 1o8r s GLU 26 N 0.00 2.75 0.58 -1.09 2.02 -1.26 -4.94 118.70 116.76 1o8r s GLU 26 Ca 0.00 -1.11 0.31 0.00 0.02 0.00 0.00 54.97 54.19 1o8r s GLU 26 Cb 0.00 -3.57 1.79 0.00 0.10 0.00 0.00 34.13 32.45 1o8r s GLU 26 CO 0.00 -0.66 2.22 -1.35 0.02 0.00 0.00 175.26 175.49 1o8r h PRO 27 N 8.31 0.00 -6.00 0.39 0.11 -1.86 -3.42 132.00 129.54 1o8r h PRO 27 Ca -0.25 0.00 -0.56 0.00 0.11 0.00 0.00 66.00 65.30 1o8r h PRO 27 Cb 1.10 0.00 -0.25 0.00 0.11 0.00 0.00 31.00 31.96 1o8r h PRO 27 CO 0.63 0.03 -0.83 1.03 -0.21 0.00 0.00 178.00 178.65 1o8r s ARG 28 N -4.46 1.26 -0.08 1.05 0.52 -1.26 -5.14 118.95 110.85 1o8r s ARG 28 Ca -0.04 -0.97 0.04 0.00 -0.52 0.00 0.00 55.73 54.23 1o8r s ARG 28 Cb 0.14 -1.40 -0.01 0.00 0.52 0.00 0.00 34.95 34.20 1o8r s ARG 28 CO 0.54 0.35 -0.20 0.08 0.02 0.00 0.00 175.30 176.10 1o8r s VAL 29 N -0.90 2.53 0.00 3.52 1.01 -1.26 -5.07 120.40 120.23 1o8r s VAL 29 Ca 0.06 -0.88 0.00 0.00 0.00 0.00 0.00 61.98 61.16 1o8r s VAL 29 Cb -0.09 -1.98 0.00 0.00 0.00 0.00 0.00 36.38 34.31 1o8r s VAL 29 CO 0.02 0.56 0.00 0.61 0.00 0.00 0.00 175.10 176.30 1o8r n GLY 30 N 3.01 -0.34 0.26 4.51 0.00 -1.26 -5.01 105.19 106.36 1o8r n GLY 30 Ca -0.18 0.80 0.09 0.00 0.00 0.00 0.00 46.02 46.73 1o8r n GLY 30 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1o8r h LYS 31 N 0.00 0.00 -5.56 1.61 1.57 -2.04 -3.40 116.57 108.75 1o8r h LYS 31 Ca 0.00 0.00 -0.59 0.00 -1.87 0.00 0.00 60.65 58.19 1o8r h LYS 31 Cb 0.00 0.00 -0.10 0.00 0.08 0.00 0.00 32.23 32.21 1o8r h LYS 31 CO 0.00 0.02 -0.17 -0.51 -0.57 0.00 0.00 179.45 178.22 1o8r s LEU 32 N -8.68 4.21 0.03 2.94 1.43 -1.26 -4.86 118.68 112.49 1o8r s LEU 32 Ca -0.05 0.64 -0.07 0.00 -1.03 0.00 0.00 54.13 53.62 1o8r s LEU 32 Cb 0.16 -2.58 -0.00 0.00 0.03 0.00 0.00 46.19 43.80 1o8r s LEU 32 CO 0.64 -0.04 0.14 -0.13 0.23 0.00 0.00 176.35 177.19 1o8r s ARG 33 N 1.00 0.59 -0.02 1.70 0.52 -1.26 -5.06 118.95 116.42 1o8r s ARG 33 Ca 0.22 -0.62 0.04 0.00 -0.52 0.00 0.00 55.73 54.85 1o8r s ARG 33 Cb -0.15 0.24 0.06 0.00 0.52 0.00 0.00 34.95 35.63 1o8r s ARG 33 CO 0.08 -0.15 1.03 0.09 0.02 0.00 0.00 175.30 176.37 1o8r n ASN 34 N 0.93 0.42 -4.67 0.23 3.02 -1.26 -4.51 115.26 109.43 1o8r n ASN 34 Ca -0.20 -2.19 -0.40 0.00 -0.03 0.00 0.00 54.58 51.76 1o8r n ASN 34 Cb 0.58 -0.24 -0.05 0.00 -0.61 0.00 0.00 39.78 39.45 1o8r n ASN 34 CO 0.00 0.00 0.00 0.12 -2.62 0.00 0.00 177.26 174.76 1o8r s PHE 35 N -0.49 3.41 -0.38 3.10 2.19 -1.25 -4.83 117.98 119.73 1o8r s PHE 35 Ca 0.06 1.07 -0.29 0.00 0.33 0.00 0.00 56.93 58.11 1o8r s PHE 35 Cb 0.06 -2.87 0.02 0.00 -1.31 0.00 0.00 43.02 38.92 1o8r s PHE 35 CO -0.00 -0.17 1.10 0.00 1.83 0.00 0.00 175.22 177.98 1o8r s ALA 36 N 1.88 3.36 0.83 11.12 0.00 -1.26 -4.16 121.76 133.52 1o8r s ALA 36 Ca 0.33 -0.22 0.00 0.00 0.00 0.00 0.00 51.96 52.07 1o8r s ALA 36 Cb -0.16 -3.76 0.00 0.00 0.00 0.00 0.00 23.12 19.19 1o8r s ALA 36 CO 0.12 -1.80 0.00 -0.35 0.00 0.00 0.00 175.76 173.73 1o8r n PRO 37 N 7.26 2.45 -3.56 0.00 -0.05 -1.26 -4.99 135.00 134.85 1o8r n PRO 37 Ca 0.12 0.00 -0.27 0.00 -0.05 0.00 0.00 63.50 63.30 1o8r n PRO 37 Cb 0.48 0.00 -0.11 0.00 -0.05 0.00 0.00 33.50 33.82 1o8r n PRO 37 CO 0.00 0.00 0.00 -0.89 -0.05 0.00 0.00 175.50 174.56 1o8r n ILE 38 N 0.00 -0.18 -1.74 0.52 -0.00 -1.26 -5.03 119.36 111.67 1o8r n ILE 38 Ca 0.00 -3.96 -0.37 0.00 -0.00 0.00 0.00 62.75 58.42 1o8r n ILE 38 Cb 0.00 -1.85 0.07 0.00 -0.00 0.00 0.00 39.64 37.86 1o8r n ILE 38 CO 0.00 0.00 0.00 -2.84 -0.00 0.00 0.00 176.55 173.71 1o8r s PRO 39 N -0.53 2.55 0.00 0.38 0.01 -1.26 -3.55 135.00 132.60 1o8r s PRO 39 Ca 0.30 2.04 0.00 0.00 0.01 0.00 0.00 61.00 63.35 1o8r s PRO 39 Cb 0.02 -1.85 0.00 0.00 0.01 0.00 0.00 34.50 32.68 1o8r s PRO 39 CO -0.19 -1.59 0.00 0.41 0.01 0.00 0.00 177.00 175.64 1o8r n GLY 40 N 0.85 0.87 3.15 0.52 0.00 -1.26 -5.01 105.19 104.31 1o8r n GLY 40 Ca 0.16 -0.12 -0.35 0.00 0.00 0.00 0.00 46.02 45.71 1o8r n GLY 40 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1o8r s GLU 41 N -0.63 2.25 0.50 1.61 0.41 -1.23 -5.07 118.70 116.53 1o8r s GLU 41 Ca 0.00 -1.46 -0.23 0.00 -0.41 0.00 0.00 54.97 52.87 1o8r s GLU 41 Cb 0.00 -3.29 -0.07 0.00 -1.78 0.00 0.00 34.13 29.00 1o8r s GLU 41 CO 0.00 -0.76 1.39 -2.14 -0.49 0.00 0.00 175.26 173.26 1o8r s PRO 42 N 1.20 3.42 -0.37 0.39 0.01 -1.26 -4.80 135.00 133.58 1o8r s PRO 42 Ca -0.01 2.31 0.12 0.00 0.01 0.00 0.00 61.00 63.44 1o8r s PRO 42 Cb -0.20 -2.45 0.39 0.00 0.01 0.00 0.00 34.50 32.24 1o8r s PRO 42 CO -0.02 -0.99 1.01 0.28 0.01 0.00 0.00 177.00 177.28 1o8r n VAL 43 N -0.61 0.30 -2.75 3.83 0.31 -1.26 -5.00 118.33 113.15 1o8r n VAL 43 Ca 0.08 -2.86 -0.06 0.00 -0.01 0.00 0.00 64.34 61.48 1o8r n VAL 43 Cb 0.44 0.63 0.03 0.00 -0.91 0.00 0.00 33.84 34.03 1o8r n VAL 43 CO 0.00 0.00 0.00 0.52 -1.32 0.00 0.00 176.83 176.03 1o8r n VAL 44 N -0.02 0.00 -0.33 2.52 0.31 -1.26 -2.97 118.33 116.58 1o8r n VAL 44 Ca 0.10 -1.23 -0.03 0.00 -0.01 0.00 0.00 64.34 63.17 1o8r n VAL 44 Cb 0.76 1.26 0.10 0.00 -0.91 0.00 0.00 33.84 35.05 1o8r n VAL 44 CO 0.00 0.00 0.00 1.55 -1.32 0.00 0.00 176.83 177.06 1o8r h PRO 45 N 4.38 1.24 0.00 5.55 0.13 -1.94 -3.41 132.00 137.94 1o8r h PRO 45 Ca -0.06 -0.14 0.00 0.00 -0.87 0.00 0.00 66.00 64.93 1o8r h PRO 45 Cb 1.07 -0.25 0.00 0.00 0.13 0.00 0.00 31.00 31.96 1o8r h PRO 45 CO 0.17 0.90 0.00 0.44 -0.23 0.00 0.00 178.00 179.28 1o8r n ILE 46 N -4.34 0.00 0.00 -3.56 -5.35 -1.26 -5.11 119.36 99.75 1o8r n ILE 46 Ca 0.10 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.58 1o8r n ILE 46 Cb 0.09 0.00 0.00 0.00 -1.74 0.00 0.00 39.64 37.99 1o8r n ILE 46 CO 0.00 0.00 0.00 -0.11 -1.76 0.00 0.00 176.55 174.68 1o8r n LEU 47 N -1.44 0.00 -4.21 7.28 -0.00 -1.26 -4.73 117.00 112.64 1o8r n LEU 47 Ca 0.00 0.00 -0.34 0.00 -0.00 0.00 0.00 56.01 55.67 1o8r n LEU 47 Cb 0.00 0.00 -0.14 0.00 -0.00 0.00 0.00 43.42 43.28 1o8r n LEU 47 CO 0.00 0.00 -0.42 0.00 -0.00 0.00 0.00 177.39 176.97 1o8r h SER 49 N 8.02 -1.20 -3.52 0.00 0.87 -1.92 -3.38 113.55 112.42 1o8r h SER 49 Ca -0.36 0.11 -0.57 0.00 -1.23 0.00 0.00 61.79 59.74 1o8r h SER 49 Cb 1.12 0.42 -0.07 0.00 -0.44 0.00 0.00 62.40 63.43 1o8r h SER 49 CO 0.59 -0.56 0.88 0.20 -0.53 0.00 0.00 176.83 177.41 1o8r s ASN 50 N -4.55 6.78 0.20 6.23 -0.87 -1.26 -4.87 114.94 116.60 1o8r s ASN 50 Ca -0.17 0.75 0.19 0.00 -1.57 0.00 0.00 52.86 52.05 1o8r s ASN 50 Cb 0.06 -2.54 0.85 0.00 -0.02 0.00 0.00 41.25 39.59 1o8r s ASN 50 CO 0.62 -1.07 1.57 -0.81 -2.57 0.00 0.00 177.10 174.84 1o8r n PRO 51 N 7.36 0.12 -0.30 -0.60 -0.05 -1.26 -1.95 135.00 138.33 1o8r n PRO 51 Ca 0.12 0.46 0.08 0.00 -0.05 0.00 0.00 63.50 64.11 1o8r n PRO 51 Cb 0.48 -1.79 0.19 0.00 -0.05 0.00 0.00 33.50 32.34 1o8r n PRO 51 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 175.50 175.54 1o8r n ASN 52 N -2.03 2.91 -4.41 3.54 5.03 -1.26 -4.96 115.26 114.08 1o8r n ASN 52 Ca 0.01 -3.16 -0.30 0.00 0.87 0.00 0.00 54.58 52.01 1o8r n ASN 52 Cb 0.14 -0.49 0.15 0.00 -1.02 0.00 0.00 39.78 38.55 1o8r n ASN 52 CO 0.00 0.00 0.00 0.72 -1.83 0.00 0.00 177.26 176.15 1o8r s PHE 53 N -2.91 2.08 -0.53 3.10 -0.71 -0.82 -4.80 117.98 113.39 1o8r s PHE 53 Ca 0.37 0.48 -0.25 0.00 -1.04 0.00 0.00 56.93 56.49 1o8r s PHE 53 Cb 0.32 -3.89 -0.27 0.00 -1.21 0.00 0.00 43.02 37.97 1o8r s PHE 53 CO 0.04 -2.34 1.75 -2.30 -1.34 0.00 0.00 175.22 171.03 1o8r n PRO 54 N -3.61 0.04 -0.58 1.99 -0.01 -1.26 -4.65 135.00 126.92 1o8r n PRO 54 Ca 0.13 -1.23 0.46 0.00 -0.01 0.00 0.00 63.50 62.85 1o8r n PRO 54 Cb 0.60 -3.04 0.71 0.00 -0.01 0.00 0.00 33.50 31.77 1o8r n PRO 54 CO 0.00 0.00 0.00 -1.91 -0.01 0.00 0.00 175.50 173.58 1o8r n GLU 55 N 7.59 0.00 0.32 -0.52 2.13 -1.26 0.26 120.64 129.16 1o8r n GLU 55 Ca 0.38 1.04 0.14 0.00 0.66 0.00 0.00 57.16 59.39 1o8r n GLU 55 Cb 0.44 -2.46 0.74 0.00 0.27 0.00 0.00 31.44 30.43 1o8r n GLU 55 CO 0.00 0.00 0.00 0.93 -0.41 0.00 0.00 177.13 177.65 1o8r h GLU 56 N 0.00 0.00 -0.10 5.31 5.08 -1.94 2.06 114.58 124.99 1o8r h GLU 56 Ca 0.82 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 59.18 1o8r h GLU 56 Cb 3.51 0.00 0.00 0.00 0.50 0.00 0.00 28.75 32.76 1o8r h GLU 56 CO -0.01 0.00 0.00 1.28 -1.00 0.00 0.00 179.01 179.28 1o8r n LEU 57 N -2.77 1.04 -0.37 1.33 4.77 0.72 -4.30 117.00 117.42 1o8r n LEU 57 Ca -0.02 -0.43 0.04 0.00 -0.03 0.00 0.00 56.01 55.57 1o8r n LEU 57 Cb 0.39 -0.06 0.11 0.00 -2.33 0.00 0.00 43.42 41.53 1o8r n LEU 57 CO 0.12 0.21 0.64 1.17 -1.33 0.00 0.00 177.39 178.20 1o8r n LYS 58 N -0.10 -0.13 -0.35 3.23 4.81 0.70 0.14 118.16 126.46 1o8r n LYS 58 Ca 0.16 1.55 0.07 0.00 -0.87 0.00 0.00 58.31 59.21 1o8r n LYS 58 Cb 0.23 -2.31 0.23 0.00 0.02 0.00 0.00 35.03 33.21 1o8r n LYS 58 CO 0.00 0.00 0.00 -1.35 1.17 0.00 0.00 177.40 177.22 1o8r h PRO 59 N 0.00 0.90 -0.58 1.64 0.10 -1.81 -0.09 132.00 132.16 1o8r h PRO 59 Ca 0.44 -0.05 -0.03 0.00 0.10 0.00 0.00 66.00 66.46 1o8r h PRO 59 Cb 0.69 -0.20 -0.03 0.00 0.10 0.00 0.00 31.00 31.56 1o8r h PRO 59 CO -1.02 0.59 0.25 -0.07 0.10 0.00 0.00 178.00 177.86 1o8r h LEU 60 N 0.92 0.75 -1.67 2.35 4.07 0.86 -1.50 115.31 121.09 1o8r h LEU 60 Ca 0.49 -0.09 -0.04 0.00 0.08 0.00 0.00 57.88 58.32 1o8r h LEU 60 Cb 0.51 -0.19 -0.01 0.00 1.08 0.00 0.00 40.66 42.05 1o8r h LEU 60 CO -0.28 0.66 -0.19 0.00 -1.08 0.00 0.00 178.44 177.55 1o8r n LYS 62 N -4.02 0.01 -4.66 0.00 5.02 -0.58 -4.50 118.16 109.44 1o8r n LYS 62 Ca -0.02 0.01 -0.31 0.00 -2.02 0.00 0.00 58.31 55.97 1o8r n LYS 62 Cb 0.27 -1.51 -0.12 0.00 -0.02 0.00 0.00 35.03 33.64 1o8r n LYS 62 CO 0.00 0.00 0.00 -1.83 -0.52 0.00 0.00 177.40 175.05 1o8r s GLU 63 N -3.00 2.25 0.11 1.97 -1.05 -0.63 -4.99 118.70 113.36 1o8r s GLU 63 Ca 0.14 -0.88 0.11 0.00 -0.15 0.00 0.00 54.97 54.19 1o8r s GLU 63 Cb 0.19 -2.29 0.54 0.00 -0.44 0.00 0.00 34.13 32.13 1o8r s GLU 63 CO 0.53 0.57 1.35 -0.35 0.95 0.00 0.00 175.26 178.30 1o8r n PRO 64 N 1.67 0.06 0.10 -4.83 -0.05 -1.26 -1.57 135.00 129.12 1o8r n PRO 64 Ca -0.16 0.47 0.13 0.00 -0.05 0.00 0.00 63.50 63.89 1o8r n PRO 64 Cb 0.52 -1.66 0.36 0.00 -0.05 0.00 0.00 33.50 32.67 1o8r n PRO 64 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 175.50 175.54 1o8r n ASN 65 N -1.78 0.83 -0.34 3.54 3.02 -1.26 -3.80 115.26 115.47 1o8r n ASN 65 Ca 0.01 0.50 0.18 0.00 -0.03 0.00 0.00 54.58 55.24 1o8r n ASN 65 Cb 0.07 -0.65 0.40 0.00 -0.61 0.00 0.00 39.78 38.99 1o8r n ASN 65 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1o8r h ALA 66 N 2.50 1.81 -0.91 5.41 0.00 -1.32 0.46 119.26 127.21 1o8r h ALA 66 Ca 0.00 0.13 -0.01 0.00 0.00 0.00 0.00 54.91 55.03 1o8r h ALA 66 Cb 0.75 0.03 -0.04 0.00 0.00 0.00 0.00 17.79 18.53 1o8r h ALA 66 CO 0.00 -0.31 0.54 1.96 0.00 0.00 0.00 179.25 181.44 1o8r h GLN 67 N 0.55 1.25 0.17 0.00 4.20 -1.81 0.36 115.11 119.83 1o8r h GLN 67 Ca 0.66 -0.12 -0.30 0.00 0.06 0.00 0.00 58.65 58.95 1o8r h GLN 67 Cb 1.28 -0.26 0.02 0.00 0.30 0.00 0.00 27.48 28.82 1o8r h GLN 67 CO -0.49 0.88 -1.32 0.93 -0.67 0.00 0.00 178.83 178.16 1o8r h GLU 68 N 1.27 0.36 -0.33 1.46 5.08 -0.63 -3.26 114.58 118.53 1o8r h GLU 68 Ca 0.33 -0.62 -0.10 0.00 -1.00 0.00 0.00 59.36 57.97 1o8r h GLU 68 Cb -0.03 0.23 -0.01 0.00 0.50 0.00 0.00 28.75 29.44 1o8r h GLU 68 CO -0.06 1.29 -0.17 0.82 -1.00 0.00 0.00 179.01 179.90 1o8r h ILE 69 N 0.10 1.29 -0.12 3.13 2.04 -0.00 -3.14 117.51 120.80 1o8r h ILE 69 Ca -0.17 -1.28 0.05 0.00 1.00 0.00 0.00 64.86 64.45 1o8r h ILE 69 Cb 2.04 1.42 -0.06 0.00 -0.74 0.00 0.00 36.82 39.47 1o8r h ILE 69 CO 0.23 0.42 -0.30 0.25 0.00 0.00 0.00 178.15 178.74 1o8r h LEU 70 N 0.46 -0.94 -0.28 1.44 7.12 -0.39 -1.90 115.31 120.82 1o8r h LEU 70 Ca 0.07 0.14 0.06 0.00 0.13 0.00 0.00 57.88 58.29 1o8r h LEU 70 Cb 0.70 0.40 -0.08 0.00 -0.53 0.00 0.00 40.66 41.16 1o8r h LEU 70 CO 0.05 -0.35 -0.33 -0.61 -0.13 0.00 0.00 178.44 177.07 1o8r h GLN 71 N -0.38 -0.31 -0.26 1.25 4.15 -1.59 -1.80 115.11 116.16 1o8r h GLN 71 Ca 0.10 0.02 0.06 0.00 0.77 0.00 0.00 58.65 59.60 1o8r h GLN 71 Cb 0.53 0.07 -0.08 0.00 0.21 0.00 0.00 27.48 28.21 1o8r h GLN 71 CO -0.34 -0.21 -0.29 0.00 -1.93 0.00 0.00 178.83 176.06 1o8r h ARG 72 N -0.32 -0.28 -0.60 1.69 3.08 -1.40 -1.33 114.38 115.22 1o8r h ARG 72 Ca 0.13 0.02 0.12 0.00 0.07 0.00 0.00 59.98 60.32 1o8r h ARG 72 Cb 0.54 0.06 -0.10 0.00 0.08 0.00 0.00 29.97 30.56 1o8r h ARG 72 CO -0.46 -0.19 0.03 -0.07 -1.07 0.00 0.00 179.97 178.22 1o8r h LEU 73 N -0.29 -0.20 -0.54 3.04 3.38 -0.65 -0.74 115.31 119.31 1o8r h LEU 73 Ca 0.14 0.14 0.07 0.00 0.09 0.00 0.00 57.88 58.31 1o8r h LEU 73 Cb 0.51 0.23 -0.06 0.00 0.09 0.00 0.00 40.66 41.44 1o8r h LEU 73 CO -0.43 -0.08 0.23 -0.33 0.09 0.00 0.00 178.44 177.92 1o8r h GLU 74 N 0.15 0.43 0.35 1.13 5.08 -0.46 0.15 114.58 121.41 1o8r h GLU 74 Ca 0.31 -0.03 -0.01 0.00 -1.00 0.00 0.00 59.36 58.64 1o8r h GLU 74 Cb 0.50 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.64 1o8r h GLU 74 CO -0.48 0.28 -0.23 0.93 -1.00 0.00 0.00 179.01 178.51 1o8r h GLU 75 N 0.44 -0.54 -0.71 2.33 5.08 -0.50 -1.23 114.58 119.44 1o8r h GLU 75 Ca 0.26 0.04 -0.01 0.00 -1.00 0.00 0.00 59.36 58.64 1o8r h GLU 75 Cb 0.25 0.12 -0.03 0.00 0.50 0.00 0.00 28.75 29.59 1o8r h GLU 75 CO -0.23 -0.36 0.40 0.82 -1.00 0.00 0.00 179.01 178.64 1o8r h ILE 76 N -0.56 1.21 -0.26 3.13 2.04 -1.10 -1.63 117.51 120.33 1o8r h ILE 76 Ca -0.03 -0.50 -0.01 0.00 1.00 0.00 0.00 64.86 65.31 1o8r h ILE 76 Cb 0.47 0.23 -0.01 0.00 -0.74 0.00 0.00 36.82 36.77 1o8r h ILE 76 CO 0.03 0.23 0.10 0.00 0.00 0.00 0.00 178.15 178.51 1o8r h ALA 77 N 1.45 1.69 -0.66 1.87 0.00 -0.29 -2.11 119.26 121.20 1o8r h ALA 77 Ca 0.25 -0.08 0.04 0.00 0.00 0.00 0.00 54.91 55.13 1o8r h ALA 77 Cb 0.01 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 17.65 1o8r h ALA 77 CO -0.04 0.25 0.43 1.49 0.00 0.00 0.00 179.25 181.38 1o8r h GLU 78 N 0.37 0.72 -2.43 0.00 4.81 -0.21 -3.42 114.58 114.41 1o8r h GLU 78 Ca 0.09 -0.04 -0.07 0.00 -0.13 0.00 0.00 59.36 59.20 1o8r h GLU 78 Cb 0.09 -0.16 -0.19 0.00 0.63 0.00 0.00 28.75 29.12 1o8r h GLU 78 CO -0.01 0.48 0.04 0.34 -0.73 0.00 0.00 179.01 179.13 1o8r s ASP 79 N -6.33 -0.49 -1.02 1.04 -1.08 -0.79 -3.89 116.67 104.10 1o8r s ASP 79 Ca -0.10 0.44 -0.26 0.00 -0.52 0.00 0.00 52.55 52.11 1o8r s ASP 79 Cb 0.19 0.47 -0.19 0.00 -1.46 0.00 0.00 42.92 41.93 1o8r s ASP 79 CO 0.76 -0.59 2.16 -2.84 0.52 0.00 0.00 175.17 175.18 1o8r s PRO 80 N -1.49 1.43 0.00 4.34 0.02 -1.26 -4.69 135.00 133.35 1o8r s PRO 80 Ca -0.10 -0.28 0.00 0.00 0.02 0.00 0.00 61.00 60.64 1o8r s PRO 80 Cb -0.01 -4.96 0.00 0.00 0.02 0.00 0.00 34.50 29.54 1o8r s PRO 80 CO 0.06 -5.06 0.00 0.41 -0.33 0.00 0.00 177.00 172.08 1o8r n GLY 81 N 6.30 -2.36 0.10 0.52 0.00 -1.26 -4.65 105.19 103.83 1o8r n GLY 81 Ca 0.43 -0.65 0.13 0.00 0.00 0.00 0.00 46.02 45.93 1o8r n GLY 81 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1o8r n THR 82 N 0.00 0.57 -0.01 2.61 -2.24 -1.26 -3.78 114.28 110.17 1o8r n THR 82 Ca 0.00 -0.23 -0.09 0.00 -2.27 0.00 0.00 64.05 61.46 1o8r n THR 82 Cb 0.00 -0.62 -0.03 0.00 -2.10 0.00 0.00 70.33 67.58 1o8r n THR 82 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1o8r h GLU 84 N -0.20 0.33 -0.67 0.00 4.81 -1.83 -0.01 114.58 117.01 1o8r h GLU 84 Ca 0.10 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.31 1o8r h GLU 84 Cb 0.35 -0.07 0.00 0.00 0.63 0.00 0.00 28.75 29.66 1o8r h GLU 84 CO -0.26 0.22 0.00 0.44 -0.73 0.00 0.00 179.01 178.68 1o8r n ILE 85 N -4.46 1.19 -1.23 2.32 -5.35 -0.54 -4.90 119.36 106.38 1o8r n ILE 85 Ca 0.09 -0.97 -0.11 0.00 -0.27 0.00 0.00 62.75 61.49 1o8r n ILE 85 Cb 0.36 0.32 -0.05 0.00 -1.74 0.00 0.00 39.64 38.54 1o8r n ILE 85 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1o8r n ALA 87 N 0.71 1.38 -2.57 0.00 0.00 -0.58 -4.74 120.51 114.71 1o8r n ALA 87 Ca -0.11 0.01 -0.12 0.00 0.00 0.00 0.00 53.44 53.22 1o8r n ALA 87 Cb 0.45 -1.18 -0.08 0.00 0.00 0.00 0.00 19.45 18.64 1o8r n ALA 87 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 1o8r s TYR 88 N -3.10 0.99 -2.00 0.00 2.02 -1.26 -5.01 117.35 109.00 1o8r s TYR 88 Ca 0.03 -1.22 0.13 0.00 -0.37 0.00 0.00 57.07 55.65 1o8r s TYR 88 Cb 0.06 -0.31 0.81 0.00 -0.40 0.00 0.00 41.96 42.12 1o8r s TYR 88 CO 0.19 -0.83 1.33 0.00 -1.57 0.00 0.00 175.55 174.66 1o8r n ALA 89 N -0.38 2.31 -0.04 3.71 0.00 -1.26 -3.49 120.51 121.37 1o8r n ALA 89 Ca 0.01 -0.08 -0.01 0.00 0.00 0.00 0.00 53.44 53.36 1o8r n ALA 89 Cb 0.64 -1.22 0.25 0.00 0.00 0.00 0.00 19.45 19.12 1o8r n ALA 89 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1o8r h ALA 90 N 3.03 1.29 -2.99 0.00 0.00 -1.90 -3.41 119.26 115.28 1o8r h ALA 90 Ca 0.00 -0.22 -0.65 0.00 0.00 0.00 0.00 54.91 54.04 1o8r h ALA 90 Cb 0.00 -0.17 -0.22 0.00 0.00 0.00 0.00 17.79 17.40 1o8r h ALA 90 CO 0.00 0.48 -0.63 0.00 0.00 0.00 0.00 179.25 179.10 1o8r s THR 92 N 1.46 4.59 0.00 0.00 -4.23 -0.81 -4.46 115.64 112.20 1o8r s THR 92 Ca 0.06 -1.10 0.00 0.00 -1.18 0.00 0.00 61.69 59.47 1o8r s THR 92 Cb -0.15 -3.38 0.00 0.00 1.34 0.00 0.00 72.50 70.31 1o8r s THR 92 CO 0.03 -0.16 0.00 0.61 -0.54 0.00 0.00 174.62 174.56 1o8r n GLY 93 N -0.57 0.57 0.00 3.99 0.00 -1.26 -1.75 105.19 106.18 1o8r n GLY 93 Ca -0.08 0.00 0.04 0.00 0.00 0.00 0.00 46.02 45.98 1o8r n GLY 93 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32