#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 2.10 -0.28 3.34 2.01 -1.19 -4.87 115.64 116.75 1o8r s THR 2 Ca 0.00 -1.67 -0.23 0.00 0.31 0.00 0.00 61.69 60.10 1o8r s THR 2 Cb 0.00 -1.86 -0.00 0.00 0.01 0.00 0.00 72.50 70.64 1o8r s THR 2 CO 0.00 0.07 0.77 -0.69 -0.69 0.00 0.00 174.62 174.08 1o8r s VAL 3 N -1.06 4.84 0.07 3.82 1.01 -0.36 -1.91 120.40 126.80 1o8r s VAL 3 Ca 0.12 1.27 0.05 0.00 0.00 0.00 0.00 61.98 63.42 1o8r s VAL 3 Cb -0.10 -4.10 -0.04 0.00 0.00 0.00 0.00 36.38 32.14 1o8r s VAL 3 CO 0.05 -0.15 -0.07 0.00 0.00 0.00 0.00 175.10 174.93 1o8r s GLN 4 N 2.84 2.35 -0.04 2.72 -2.07 -0.83 0.23 119.66 124.86 1o8r s GLN 4 Ca 0.32 -0.88 0.11 0.00 -1.82 0.00 0.00 55.36 53.08 1o8r s GLN 4 Cb -0.15 -2.42 0.32 0.00 -1.09 0.00 0.00 33.01 29.68 1o8r s GLN 4 CO 0.10 0.55 1.26 -0.25 -1.32 0.00 0.00 175.29 175.63 1o8r n ASP 5 N 0.98 3.02 0.00 12.60 8.00 -1.17 -4.86 116.55 135.12 1o8r n ASP 5 Ca -0.14 -2.22 0.00 0.00 0.71 0.00 0.00 54.79 53.15 1o8r n ASP 5 Cb 0.52 -0.28 0.00 0.00 -0.02 0.00 0.00 41.12 41.35 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 0.19 -0.54 0.18 0.44 0.00 -1.26 -4.93 105.19 99.28 1o8r n GLY 6 Ca 0.13 0.21 0.08 0.00 0.00 0.00 0.00 46.02 46.43 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 0.54 -4.24 1.61 3.02 -1.26 -4.80 115.26 110.12 1o8r n ASN 7 Ca 0.00 -1.62 -0.24 0.00 -0.03 0.00 0.00 54.58 52.70 1o8r n ASN 7 Cb 0.00 -0.04 -0.13 0.00 -0.61 0.00 0.00 39.78 39.00 1o8r n ASN 7 CO 0.00 0.00 0.00 -0.36 -2.62 0.00 0.00 177.26 174.28 1o8r s PHE 8 N -1.92 1.68 -0.14 3.10 0.40 -1.26 -5.13 117.98 114.71 1o8r s PHE 8 Ca 0.24 -0.39 -0.07 0.00 -0.60 0.00 0.00 56.93 56.11 1o8r s PHE 8 Cb 0.12 -0.97 -0.04 0.00 0.51 0.00 0.00 43.02 42.64 1o8r s PHE 8 CO 0.19 0.12 0.11 -1.54 0.70 0.00 0.00 175.22 174.81 1o8r s SER 9 N -1.48 6.14 -0.08 1.36 1.04 -1.26 -3.06 113.70 116.37 1o8r s SER 9 Ca 0.06 0.34 0.05 0.00 0.48 0.00 0.00 55.95 56.87 1o8r s SER 9 Cb -0.09 -2.00 -0.00 0.00 0.10 0.00 0.00 66.02 64.03 1o8r s SER 9 CO 0.03 0.33 -0.23 -0.36 0.98 0.00 0.00 173.24 173.99 1o8r s PHE 10 N -0.54 2.34 0.91 5.02 0.08 0.62 -4.88 117.98 121.52 1o8r s PHE 10 Ca 0.12 -0.83 -0.12 0.00 0.12 0.00 0.00 56.93 56.22 1o8r s PHE 10 Cb -0.12 -1.56 0.13 0.00 -0.57 0.00 0.00 43.02 40.91 1o8r s PHE 10 CO 0.02 -0.31 1.10 0.45 -0.10 0.00 0.00 175.22 176.38 1o8r s SER 11 N 0.15 3.44 0.00 1.36 0.15 -1.26 -1.23 113.70 116.31 1o8r s SER 11 Ca -0.11 1.32 0.22 0.00 0.70 0.00 0.00 55.95 58.08 1o8r s SER 11 Cb -0.16 -1.99 -0.02 0.00 -1.71 0.00 0.00 66.02 62.14 1o8r s SER 11 CO 0.06 -2.64 1.05 0.18 1.20 0.00 0.00 173.24 173.09 1o8r n LEU 12 N -3.86 0.93 0.00 3.45 4.32 -1.26 -4.34 117.00 116.24 1o8r n LEU 12 Ca 0.06 -0.39 0.00 0.00 -0.02 0.00 0.00 56.01 55.67 1o8r n LEU 12 Cb 0.56 -0.06 0.00 0.00 -1.62 0.00 0.00 43.42 42.30 1o8r n LEU 12 CO 0.56 0.23 0.28 1.21 -1.22 0.00 0.00 177.39 178.45 1o8r n GLU 13 N -1.41 0.00 -0.27 3.23 2.13 -1.26 -0.41 120.64 122.65 1o8r n GLU 13 Ca 0.05 0.42 0.07 0.00 0.66 0.00 0.00 57.16 58.36 1o8r n GLU 13 Cb 0.34 -1.23 0.19 0.00 0.27 0.00 0.00 31.44 31.01 1o8r n GLU 13 CO 0.00 0.00 0.00 0.77 -0.41 0.00 0.00 177.13 177.49 1o8r h SER 14 N 0.00 -0.23 0.14 4.31 0.02 -1.93 0.28 113.55 116.14 1o8r h SER 14 Ca 0.00 0.19 -0.01 0.00 -0.84 0.00 0.00 61.79 61.14 1o8r h SER 14 Cb 0.00 0.31 0.00 0.00 0.14 0.00 0.00 62.40 62.85 1o8r h SER 14 CO 0.00 -0.16 -0.07 0.58 -1.14 0.00 0.00 176.83 176.04 1o8r h VAL 15 N 0.14 0.94 -0.16 2.27 2.07 -1.75 1.01 116.25 120.77 1o8r h VAL 15 Ca 0.45 -0.31 0.05 0.00 0.82 0.00 0.00 66.70 67.70 1o8r h VAL 15 Cb 0.83 1.13 -0.05 0.00 -1.52 0.00 0.00 31.29 31.68 1o8r h VAL 15 CO -0.65 0.08 -0.15 0.50 0.02 0.00 0.00 177.57 177.36 1o8r h LYS 16 N -0.34 -0.17 -0.01 1.57 3.64 0.92 0.34 116.57 122.52 1o8r h LYS 16 Ca -0.02 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.37 1o8r h LYS 16 Cb 0.27 0.04 0.00 0.00 -0.41 0.00 0.00 32.23 32.13 1o8r h LYS 16 CO 0.03 -0.11 0.00 1.17 -2.27 0.00 0.00 179.45 178.27 1o8r n LYS 17 N -5.30 1.02 -0.20 1.90 4.81 0.82 -3.78 118.16 117.42 1o8r n LYS 17 Ca -0.02 -0.03 -0.01 0.00 -0.87 0.00 0.00 58.31 57.38 1o8r n LYS 17 Cb 0.22 -1.16 0.21 0.00 0.02 0.00 0.00 35.03 34.32 1o8r n LYS 17 CO 0.00 0.00 0.00 1.25 1.17 0.00 0.00 177.40 179.82 1o8r h LEU 18 N 0.05 0.86 -1.05 3.14 5.85 0.52 -2.24 115.31 122.45 1o8r h LEU 18 Ca 0.00 -0.07 -0.05 0.00 0.84 0.00 0.00 57.88 58.60 1o8r h LEU 18 Cb 0.01 -0.22 -0.03 0.00 0.37 0.00 0.00 40.66 40.80 1o8r h LEU 18 CO 0.00 0.71 0.16 0.11 -0.34 0.00 0.00 178.44 179.08 1o8r h LYS 19 N 0.97 0.84 -4.54 1.25 1.57 -1.70 -3.37 116.57 111.60 1o8r h LYS 19 Ca 0.24 -0.16 -0.69 0.00 -1.87 0.00 0.00 60.65 58.17 1o8r h LYS 19 Cb 0.05 -0.13 -0.34 0.00 0.08 0.00 0.00 32.23 31.88 1o8r h LYS 19 CO -0.04 0.74 -0.58 -0.51 -0.57 0.00 0.00 179.45 178.50 1o8r s ASP 20 N -6.56 5.20 -0.15 0.86 1.01 -0.84 -5.08 116.67 111.12 1o8r s ASP 20 Ca -0.10 -1.89 -0.03 0.00 0.71 0.00 0.00 52.55 51.24 1o8r s ASP 20 Cb 0.16 -1.81 -0.02 0.00 1.01 0.00 0.00 42.92 42.25 1o8r s ASP 20 CO 0.80 -0.49 -0.06 -0.22 0.21 0.00 0.00 175.17 175.41 1o8r s LEU 21 N 1.16 3.12 0.26 1.23 2.96 -1.25 -4.86 118.68 121.30 1o8r s LEU 21 Ca 0.06 -0.17 0.10 0.00 -0.22 0.00 0.00 54.13 53.89 1o8r s LEU 21 Cb -0.22 -1.74 -0.05 0.00 0.50 0.00 0.00 46.19 44.68 1o8r s LEU 21 CO -0.04 0.17 -0.15 -1.10 -1.32 0.00 0.00 176.35 173.91 1o8r s GLN 22 N 0.33 1.56 0.22 1.98 -0.21 -1.26 -5.03 119.66 117.25 1o8r s GLN 22 Ca -0.06 -1.73 -0.16 0.00 0.02 0.00 0.00 55.36 53.44 1o8r s GLN 22 Cb -0.15 -1.47 0.24 0.00 1.00 0.00 0.00 33.01 32.64 1o8r s GLN 22 CO 0.04 0.23 1.58 1.49 -2.12 0.00 0.00 175.29 176.50 1o8r h GLU 23 N 2.35 -0.06 -7.22 2.91 4.57 -2.04 -3.40 114.58 111.69 1o8r h GLU 23 Ca -0.40 0.00 -0.49 0.00 -1.18 0.00 0.00 59.36 57.30 1o8r h GLU 23 Cb 1.24 0.01 0.20 0.00 -0.16 0.00 0.00 28.75 30.05 1o8r h GLU 23 CO 0.63 -0.04 0.14 -2.14 -1.18 0.00 0.00 179.01 176.42 1o8r s PRO 24 N -6.08 0.23 0.00 0.92 0.01 -1.26 -5.01 135.00 123.81 1o8r s PRO 24 Ca -0.14 1.29 0.00 0.00 0.01 0.00 0.00 61.00 62.15 1o8r s PRO 24 Cb 0.20 -1.65 0.00 0.00 0.01 0.00 0.00 34.50 33.05 1o8r s PRO 24 CO 0.72 -3.09 0.00 1.04 0.01 0.00 0.00 177.00 175.69 1o8r n GLN 25 N -4.52 1.74 -3.78 5.54 6.02 -1.26 -4.90 117.38 116.22 1o8r n GLN 25 Ca 0.08 0.00 -0.31 0.00 -0.01 0.00 0.00 57.00 56.76 1o8r n GLN 25 Cb 0.53 0.00 -0.10 0.00 1.02 0.00 0.00 30.24 31.69 1o8r n GLN 25 CO 0.00 0.00 0.00 -0.85 -1.01 0.00 0.00 177.06 175.20 1o8r n GLU 26 N 0.00 2.20 -1.26 -1.09 0.00 -1.26 -4.72 120.64 114.51 1o8r n GLU 26 Ca 0.00 -4.50 -0.34 0.00 0.00 0.00 0.00 57.16 52.32 1o8r n GLU 26 Cb 0.00 -2.34 0.11 0.00 0.00 0.00 0.00 31.44 29.21 1o8r n GLU 26 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.13 175.88 1o8r s PRO 27 N -1.51 1.89 0.06 3.44 0.05 -1.26 -4.95 135.00 132.72 1o8r s PRO 27 Ca 0.27 1.72 0.03 0.00 0.05 0.00 0.00 61.00 63.06 1o8r s PRO 27 Cb -0.04 -1.81 -0.03 0.00 0.05 0.00 0.00 34.50 32.67 1o8r s PRO 27 CO -0.15 -2.01 -0.09 -0.98 0.05 0.00 0.00 177.00 173.82 1o8r s ARG 28 N -4.09 0.67 -0.04 4.56 1.70 -1.26 -5.09 118.95 115.40 1o8r s ARG 28 Ca 0.73 -0.93 0.05 0.00 -0.47 0.00 0.00 55.73 55.11 1o8r s ARG 28 Cb -0.28 -0.42 -0.01 0.00 -0.57 0.00 0.00 34.95 33.67 1o8r s ARG 28 CO 0.48 0.07 -0.19 0.08 -1.08 0.00 0.00 175.30 174.67 1o8r s VAL 29 N -1.79 1.54 0.00 4.99 1.01 -1.26 -5.04 120.40 119.85 1o8r s VAL 29 Ca -0.04 -0.79 0.00 0.00 0.00 0.00 0.00 61.98 61.16 1o8r s VAL 29 Cb -0.07 -1.31 0.00 0.00 0.00 0.00 0.00 36.38 35.00 1o8r s VAL 29 CO 0.00 0.44 0.00 0.61 0.00 0.00 0.00 175.10 176.15 1o8r n GLY 30 N 3.02 -0.74 0.28 4.51 0.00 -1.26 -4.75 105.19 106.26 1o8r n GLY 30 Ca -0.17 -1.37 0.02 0.00 0.00 0.00 0.00 46.02 44.50 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 0.49 -5.79 1.61 1.57 -2.06 -3.42 116.57 108.97 1o8r h LYS 31 Ca 0.00 -0.07 -0.64 0.00 -1.87 0.00 0.00 60.65 58.06 1o8r h LYS 31 Cb 0.00 -0.09 -0.06 0.00 0.08 0.00 0.00 32.23 32.17 1o8r h LYS 31 CO 0.00 0.45 -0.46 -0.51 -0.57 0.00 0.00 179.45 178.36 1o8r s LEU 32 N -9.20 4.38 -0.48 2.94 1.43 -1.26 -5.06 118.68 111.43 1o8r s LEU 32 Ca -0.08 0.44 -0.11 0.00 -1.03 0.00 0.00 54.13 53.36 1o8r s LEU 32 Cb 0.16 -2.50 0.11 0.00 0.03 0.00 0.00 46.19 44.00 1o8r s LEU 32 CO 0.75 0.30 0.36 -0.13 0.23 0.00 0.00 176.35 177.86 1o8r s ARG 33 N -1.67 2.61 0.06 1.70 0.52 -1.26 -4.94 118.95 115.96 1o8r s ARG 33 Ca 0.24 -1.70 0.01 0.00 -0.52 0.00 0.00 55.73 53.76 1o8r s ARG 33 Cb -0.13 -3.98 -0.03 0.00 0.52 0.00 0.00 34.95 31.33 1o8r s ARG 33 CO 0.14 -1.18 -0.05 0.54 0.02 0.00 0.00 175.30 174.77 1o8r s ASN 34 N 2.76 0.71 -0.27 0.23 4.22 -1.25 -4.47 114.94 116.86 1o8r s ASN 34 Ca 0.05 -0.80 -0.38 0.00 -2.14 0.00 0.00 52.86 49.59 1o8r s ASN 34 Cb -0.26 0.11 0.15 0.00 1.28 0.00 0.00 41.25 42.53 1o8r s ASN 34 CO 0.01 -0.41 1.35 0.12 -2.04 0.00 0.00 177.10 176.12 1o8r s PHE 35 N -2.77 -0.03 -0.38 1.54 5.36 -1.16 -5.05 117.98 115.48 1o8r s PHE 35 Ca -0.00 0.02 -0.32 0.00 -0.96 0.00 0.00 56.93 55.68 1o8r s PHE 35 Cb -0.00 0.50 -0.10 0.00 -0.34 0.00 0.00 43.02 43.08 1o8r s PHE 35 CO -0.04 -0.05 2.27 0.00 -1.46 0.00 0.00 175.22 175.94 1o8r n ALA 36 N -0.02 1.17 -1.79 11.12 0.00 -1.26 -4.79 120.51 124.94 1o8r n ALA 36 Ca 0.05 -0.27 -0.35 0.00 0.00 0.00 0.00 53.44 52.86 1o8r n ALA 36 Cb 0.57 -2.74 -0.05 0.00 0.00 0.00 0.00 19.45 17.23 1o8r n ALA 36 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1o8r s PRO 37 N 6.79 4.18 -0.42 0.00 0.05 -1.26 -5.01 135.00 139.34 1o8r s PRO 37 Ca 1.07 1.37 0.09 0.00 0.05 0.00 0.00 61.00 63.58 1o8r s PRO 37 Cb -0.64 -2.42 0.30 0.00 0.05 0.00 0.00 34.50 31.80 1o8r s PRO 37 CO 0.42 -0.10 0.80 0.44 0.05 0.00 0.00 177.00 178.60 1o8r n ILE 38 N -0.26 -0.23 -1.78 0.56 -0.00 -1.26 -5.07 119.36 111.32 1o8r n ILE 38 Ca 0.06 -3.18 -0.38 0.00 -0.00 0.00 0.00 62.75 59.25 1o8r n ILE 38 Cb 0.51 0.06 0.05 0.00 -0.00 0.00 0.00 39.64 40.26 1o8r n ILE 38 CO 0.00 0.00 0.00 -2.16 -0.00 0.00 0.00 176.55 174.39 1o8r s PRO 39 N -0.95 3.00 0.00 6.28 0.04 -1.26 -4.56 135.00 137.55 1o8r s PRO 39 Ca 0.33 2.18 0.00 0.00 0.04 0.00 0.00 61.00 63.55 1o8r s PRO 39 Cb 0.27 -2.15 0.00 0.00 0.04 0.00 0.00 34.50 32.66 1o8r s PRO 39 CO -0.11 -1.29 0.00 0.41 0.04 0.00 0.00 177.00 176.06 1o8r n GLY 40 N 0.76 1.20 2.64 0.56 0.00 -1.26 -5.07 105.19 104.01 1o8r n GLY 40 Ca 0.12 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.86 1o8r n GLY 40 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1o8r n GLU 41 N 0.00 1.95 -1.83 1.61 1.02 -1.26 -5.08 120.64 117.04 1o8r n GLU 41 Ca 0.00 -4.41 -0.42 0.00 -0.02 0.00 0.00 57.16 52.31 1o8r n GLU 41 Cb 0.00 -2.18 -0.02 0.00 -0.02 0.00 0.00 31.44 29.22 1o8r n GLU 41 CO 0.00 0.00 0.00 -1.25 1.18 0.00 0.00 177.13 177.06 1o8r s PRO 42 N -1.76 4.16 0.00 3.49 0.05 -1.26 -4.80 135.00 134.88 1o8r s PRO 42 Ca 0.32 2.50 0.00 0.00 0.05 0.00 0.00 61.00 63.87 1o8r s PRO 42 Cb 0.05 -3.08 0.00 0.00 0.05 0.00 0.00 34.50 31.52 1o8r s PRO 42 CO -0.11 -0.64 0.00 1.55 0.05 0.00 0.00 177.00 177.86 1o8r n VAL 43 N 3.21 0.00 -3.26 -0.36 3.14 -1.26 -5.08 118.33 114.72 1o8r n VAL 43 Ca 0.12 0.00 -0.25 0.00 -2.96 0.00 0.00 64.34 61.25 1o8r n VAL 43 Cb 0.37 0.00 -0.07 0.00 -1.06 0.00 0.00 33.84 33.09 1o8r n VAL 43 CO 0.00 0.00 0.00 0.52 -6.46 0.00 0.00 176.83 170.89 1o8r n VAL 44 N 0.00 1.07 -1.78 1.55 0.31 -1.26 -4.53 118.33 113.70 1o8r n VAL 44 Ca 0.00 -4.76 -0.36 0.00 -0.01 0.00 0.00 64.34 59.21 1o8r n VAL 44 Cb 0.00 -1.78 0.06 0.00 -0.91 0.00 0.00 33.84 31.21 1o8r n VAL 44 CO 0.00 0.00 0.00 -2.16 -1.32 0.00 0.00 176.83 173.35 1o8r s PRO 45 N -2.12 2.62 0.60 5.55 0.05 -1.26 -4.81 135.00 135.62 1o8r s PRO 45 Ca 0.39 1.88 0.29 0.00 0.05 0.00 0.00 61.00 63.62 1o8r s PRO 45 Cb 0.19 -1.88 1.55 0.00 0.05 0.00 0.00 34.50 34.42 1o8r s PRO 45 CO -0.07 -1.49 1.96 -0.84 0.05 0.00 0.00 177.00 176.60 1o8r h ILE 46 N 0.47 0.35 -0.63 0.56 3.07 -1.99 0.80 117.51 120.13 1o8r h ILE 46 Ca -0.50 0.00 0.00 0.00 1.55 0.00 0.00 64.86 65.91 1o8r h ILE 46 Cb 1.31 0.69 0.00 0.00 -0.27 0.00 0.00 36.82 38.55 1o8r h ILE 46 CO 0.53 0.00 0.00 0.18 -1.05 0.00 0.00 178.15 177.81 1o8r n LEU 47 N -3.63 3.99 -2.09 0.16 4.77 -1.26 -4.90 117.00 114.05 1o8r n LEU 47 Ca 0.05 -2.00 0.00 0.00 -0.03 0.00 0.00 56.01 54.03 1o8r n LEU 47 Cb 0.53 -0.50 0.00 0.00 -2.33 0.00 0.00 43.42 41.12 1o8r n LEU 47 CO 0.26 0.81 -0.47 0.00 -1.33 0.00 0.00 177.39 176.66 1o8r h SER 49 N 4.31 -0.37 -3.62 0.00 0.02 -1.79 -3.39 113.55 108.70 1o8r h SER 49 Ca 0.00 0.01 -0.57 0.00 -0.84 0.00 0.00 61.79 60.39 1o8r h SER 49 Cb 0.00 0.10 -0.07 0.00 0.14 0.00 0.00 62.40 62.56 1o8r h SER 49 CO 0.00 -0.26 0.89 0.20 -1.14 0.00 0.00 176.83 176.52 1o8r s ASN 50 N -4.81 6.69 0.19 3.07 -0.87 -1.26 -4.87 114.94 113.08 1o8r s ASN 50 Ca -0.15 0.58 0.12 0.00 -1.57 0.00 0.00 52.86 51.83 1o8r s ASN 50 Cb 0.05 -2.54 0.65 0.00 -0.02 0.00 0.00 41.25 39.38 1o8r s ASN 50 CO 0.64 -1.16 1.35 -2.65 -2.57 0.00 0.00 177.10 172.71 1o8r n PRO 51 N 7.59 0.08 -2.71 -0.60 -0.01 -1.26 -2.11 135.00 135.98 1o8r n PRO 51 Ca 0.12 0.56 -0.05 0.00 -0.01 0.00 0.00 63.50 64.12 1o8r n PRO 51 Cb 0.49 -1.79 0.04 0.00 -0.01 0.00 0.00 33.50 32.23 1o8r n PRO 51 CO 0.00 0.00 0.00 -1.71 -0.01 0.00 0.00 175.50 173.78 1o8r n ASN 52 N -1.91 1.98 -3.48 2.55 5.15 -1.26 -5.07 115.26 113.21 1o8r n ASN 52 Ca -0.01 -2.37 -0.23 0.00 -0.60 0.00 0.00 54.58 51.37 1o8r n ASN 52 Cb 0.05 -0.47 0.16 0.00 -0.53 0.00 0.00 39.78 38.99 1o8r n ASN 52 CO 0.00 0.00 0.00 2.22 1.40 0.00 0.00 177.26 180.88 1o8r n PHE 53 N -0.51 -3.99 -1.01 1.20 -1.74 -0.90 -4.79 117.46 105.72 1o8r n PHE 53 Ca 0.12 -0.92 -0.27 0.00 -0.56 0.00 0.00 57.45 55.82 1o8r n PHE 53 Cb 0.82 -0.79 -0.11 0.00 1.52 0.00 0.00 39.48 40.92 1o8r n PHE 53 CO 0.00 0.00 0.00 -2.30 -0.56 0.00 0.00 176.76 173.90 1o8r n PRO 54 N -3.17 0.04 -0.45 3.97 -0.01 -1.26 -4.67 135.00 129.45 1o8r n PRO 54 Ca 0.13 -1.19 0.37 0.00 -0.01 0.00 0.00 63.50 62.79 1o8r n PRO 54 Cb 0.45 -2.96 0.65 0.00 -0.01 0.00 0.00 33.50 31.63 1o8r n PRO 54 CO 0.00 0.00 0.00 1.49 -0.01 0.00 0.00 175.50 176.98 1o8r h GLU 55 N 10.50 0.09 0.00 -0.52 4.81 -1.96 2.37 114.58 129.87 1o8r h GLU 55 Ca 0.12 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.35 1o8r h GLU 55 Cb 0.83 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 30.19 1o8r h GLU 55 CO 1.46 0.06 0.29 0.93 -0.73 0.00 0.00 179.01 181.02 1o8r h GLU 56 N 0.10 0.00 -0.63 1.92 5.08 -1.97 1.80 114.58 120.88 1o8r h GLU 56 Ca 0.81 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 59.17 1o8r h GLU 56 Cb 2.57 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.82 1o8r h GLU 56 CO -0.38 0.00 0.00 1.28 -1.00 0.00 0.00 179.01 178.91 1o8r n LEU 57 N -2.61 3.82 -0.34 1.33 4.32 0.80 -4.56 117.00 119.75 1o8r n LEU 57 Ca -0.02 -1.92 0.01 0.00 -0.02 0.00 0.00 56.01 54.06 1o8r n LEU 57 Cb 0.33 -0.49 0.08 0.00 -1.62 0.00 0.00 43.42 41.71 1o8r n LEU 57 CO 0.11 0.73 0.63 0.11 -1.22 0.00 0.00 177.39 177.75 1o8r h LYS 58 N 3.49 -0.02 -0.73 3.23 1.79 0.27 0.46 116.57 125.06 1o8r h LYS 58 Ca 0.00 0.00 0.11 0.00 -2.18 0.00 0.00 60.65 58.58 1o8r h LYS 58 Cb 1.12 0.00 -0.08 0.00 -1.58 0.00 0.00 32.23 31.70 1o8r h LYS 58 CO 0.14 -0.01 0.35 -1.35 -1.08 0.00 0.00 179.45 177.49 1o8r h PRO 59 N -0.02 0.55 -0.43 3.15 0.10 -1.81 0.73 132.00 134.27 1o8r h PRO 59 Ca 0.38 -0.03 -0.00 0.00 0.10 0.00 0.00 66.00 66.45 1o8r h PRO 59 Cb 0.63 -0.12 -0.02 0.00 0.10 0.00 0.00 31.00 31.59 1o8r h PRO 59 CO -0.95 0.36 0.27 -0.07 0.10 0.00 0.00 178.00 177.71 1o8r h LEU 60 N 0.57 0.50 -1.65 2.35 3.38 -0.45 -0.72 115.31 119.29 1o8r h LEU 60 Ca 0.37 -0.02 -0.04 0.00 0.09 0.00 0.00 57.88 58.28 1o8r h LEU 60 Cb 0.44 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.06 1o8r h LEU 60 CO -0.30 0.38 -0.19 0.00 0.09 0.00 0.00 178.44 178.42 1o8r n LYS 62 N -3.73 2.78 -4.48 0.00 5.02 -0.32 -4.56 118.16 112.86 1o8r n LYS 62 Ca -0.02 -3.05 -0.33 0.00 -2.02 0.00 0.00 58.31 52.90 1o8r n LYS 62 Cb 0.30 -1.99 -0.10 0.00 -0.02 0.00 0.00 35.03 33.21 1o8r n LYS 62 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 1o8r s GLU 63 N -3.06 2.62 0.45 1.97 8.01 -0.83 -5.00 118.70 122.86 1o8r s GLU 63 Ca 0.49 -0.67 0.13 0.00 0.01 0.00 0.00 54.97 54.93 1o8r s GLU 63 Cb 0.41 -2.54 1.01 0.00 -4.31 0.00 0.00 34.13 28.70 1o8r s GLU 63 CO 0.08 0.62 2.02 -1.00 0.01 0.00 0.00 175.26 176.99 1o8r h PRO 64 N 4.69 0.10 -0.00 0.39 0.14 -1.92 -1.09 132.00 134.31 1o8r h PRO 64 Ca -0.49 -0.02 0.00 0.00 0.14 0.00 0.00 66.00 65.64 1o8r h PRO 64 Cb 1.17 -0.02 0.00 0.00 0.14 0.00 0.00 31.00 32.29 1o8r h PRO 64 CO 0.54 0.19 -0.19 0.09 0.14 0.00 0.00 178.00 178.78 1o8r n ASN 65 N -4.38 0.56 -0.32 1.44 3.02 -1.26 -4.11 115.26 110.20 1o8r n ASN 65 Ca -0.02 -0.51 0.21 0.00 -0.03 0.00 0.00 54.58 54.23 1o8r n ASN 65 Cb 0.19 -0.02 0.42 0.00 -0.61 0.00 0.00 39.78 39.76 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 3.49 1.74 -0.82 5.41 0.00 -1.34 0.76 119.26 128.50 1o8r h ALA 66 Ca 0.00 0.21 0.10 0.00 0.00 0.00 0.00 54.91 55.22 1o8r h ALA 66 Cb 0.42 0.23 -0.07 0.00 0.00 0.00 0.00 17.79 18.37 1o8r h ALA 66 CO 0.00 -0.56 0.47 1.96 0.00 0.00 0.00 179.25 181.12 1o8r h GLN 67 N 0.26 0.76 0.19 0.00 4.20 -1.78 0.41 115.11 119.15 1o8r h GLN 67 Ca 0.68 -0.05 -0.31 0.00 0.06 0.00 0.00 58.65 59.04 1o8r h GLN 67 Cb 1.53 -0.17 0.02 0.00 0.30 0.00 0.00 27.48 29.16 1o8r h GLN 67 CO -0.64 0.51 -1.37 0.93 -0.67 0.00 0.00 178.83 177.59 1o8r h GLU 68 N 0.79 0.40 -0.07 1.46 5.08 0.04 -3.28 114.58 119.00 1o8r h GLU 68 Ca 0.40 -0.69 -0.00 0.00 -1.00 0.00 0.00 59.36 58.06 1o8r h GLU 68 Cb 0.37 0.26 -0.00 0.00 0.50 0.00 0.00 28.75 29.87 1o8r h GLU 68 CO -0.25 1.33 0.03 0.82 -1.00 0.00 0.00 179.01 179.94 1o8r h ILE 69 N 0.11 1.14 -0.11 3.13 2.04 0.21 -2.84 117.51 121.19 1o8r h ILE 69 Ca -0.20 -0.43 0.03 0.00 1.00 0.00 0.00 64.86 65.26 1o8r h ILE 69 Cb 2.07 1.31 -0.06 0.00 -0.74 0.00 0.00 36.82 39.41 1o8r h ILE 69 CO 0.24 0.12 -0.50 0.25 0.00 0.00 0.00 178.15 178.26 1o8r h LEU 70 N -0.06 -1.58 -0.50 1.44 7.12 -0.32 0.60 115.31 122.01 1o8r h LEU 70 Ca 0.02 0.19 0.09 0.00 0.13 0.00 0.00 57.88 58.31 1o8r h LEU 70 Cb 0.17 0.61 -0.10 0.00 -0.53 0.00 0.00 40.66 40.81 1o8r h LEU 70 CO -0.00 -0.45 -0.32 -0.61 -0.13 0.00 0.00 178.44 176.93 1o8r h GLN 71 N -0.54 -0.19 -0.02 1.25 4.15 -1.61 -0.69 115.11 117.46 1o8r h GLN 71 Ca 0.03 0.01 0.03 0.00 0.77 0.00 0.00 58.65 59.49 1o8r h GLN 71 Cb 0.63 0.04 -0.04 0.00 0.21 0.00 0.00 27.48 28.32 1o8r h GLN 71 CO -0.39 -0.12 -0.21 0.00 -1.93 0.00 0.00 178.83 176.17 1o8r h ARG 72 N -0.19 -0.31 -0.41 1.69 3.08 -1.13 -1.99 114.38 115.11 1o8r h ARG 72 Ca 0.21 0.02 0.09 0.00 0.07 0.00 0.00 59.98 60.36 1o8r h ARG 72 Cb 0.54 0.07 -0.09 0.00 0.08 0.00 0.00 29.97 30.57 1o8r h ARG 72 CO -0.61 -0.21 -0.21 -0.07 -1.07 0.00 0.00 179.97 177.80 1o8r h LEU 73 N -0.33 -0.71 -0.63 3.04 3.38 0.22 -0.25 115.31 120.03 1o8r h LEU 73 Ca 0.07 0.16 0.11 0.00 0.09 0.00 0.00 57.88 58.30 1o8r h LEU 73 Cb 0.41 0.38 -0.08 0.00 0.09 0.00 0.00 40.66 41.46 1o8r h LEU 73 CO -0.21 -0.24 0.19 -0.33 0.09 0.00 0.00 178.44 177.94 1o8r h GLU 74 N -0.13 0.33 0.37 1.13 5.08 -0.68 0.86 114.58 121.54 1o8r h GLU 74 Ca 0.20 -0.02 -0.02 0.00 -1.00 0.00 0.00 59.36 58.52 1o8r h GLU 74 Cb 0.44 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.62 1o8r h GLU 74 CO -0.49 0.22 -0.18 1.49 -1.00 0.00 0.00 179.01 179.05 1o8r h GLU 75 N 0.34 -0.48 -0.48 2.33 4.81 -0.41 -1.61 114.58 119.08 1o8r h GLU 75 Ca 0.33 0.03 -0.05 0.00 -0.13 0.00 0.00 59.36 59.54 1o8r h GLU 75 Cb 0.46 0.11 -0.02 0.00 0.63 0.00 0.00 28.75 29.93 1o8r h GLU 75 CO -0.37 -0.24 0.12 0.82 -0.73 0.00 0.00 179.01 178.61 1o8r h ILE 76 N -0.64 1.24 -0.87 2.32 1.08 -0.69 -2.63 117.51 117.31 1o8r h ILE 76 Ca -0.05 -0.83 0.10 0.00 -0.39 0.00 0.00 64.86 63.69 1o8r h ILE 76 Cb 0.46 0.87 -0.06 0.00 -3.07 0.00 0.00 36.82 35.02 1o8r h ILE 76 CO 0.08 0.30 0.56 0.00 -0.69 0.00 0.00 178.15 178.40 1o8r h ALA 77 N 0.98 1.69 -0.43 1.87 0.00 0.78 -1.28 119.26 122.88 1o8r h ALA 77 Ca 0.15 -0.00 -0.07 0.00 0.00 0.00 0.00 54.91 54.99 1o8r h ALA 77 Cb 0.32 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 1o8r h ALA 77 CO 0.00 0.12 -0.02 0.93 0.00 0.00 0.00 179.25 180.29 1o8r h GLU 78 N 0.82 0.70 -4.61 0.00 4.39 -0.92 -3.45 114.58 111.52 1o8r h GLU 78 Ca 0.41 -0.18 -0.29 0.00 0.34 0.00 0.00 59.36 59.64 1o8r h GLU 78 Cb 0.46 -0.08 -0.22 0.00 -0.10 0.00 0.00 28.75 28.81 1o8r h GLU 78 CO -0.17 0.73 -0.74 0.34 -1.16 0.00 0.00 179.01 178.00 1o8r s ASP 79 N -6.68 0.90 0.01 1.42 2.15 -0.48 -2.99 116.67 111.00 1o8r s ASP 79 Ca -0.09 -0.52 -0.07 0.00 0.43 0.00 0.00 52.55 52.30 1o8r s ASP 79 Cb 0.15 0.02 -0.04 0.00 -0.30 0.00 0.00 42.92 42.75 1o8r s ASP 79 CO 0.80 -0.17 1.08 -0.65 -0.17 0.00 0.00 175.17 176.06 1o8r h PRO 80 N 4.61 -0.26 0.00 4.34 0.10 -1.85 -3.42 132.00 135.53 1o8r h PRO 80 Ca -0.36 0.02 0.00 0.00 0.10 0.00 0.00 66.00 65.76 1o8r h PRO 80 Cb 1.20 0.06 0.00 0.00 0.10 0.00 0.00 31.00 32.36 1o8r h PRO 80 CO 0.41 -0.17 0.00 0.41 0.10 0.00 0.00 178.00 178.75 1o8r n GLY 81 N -1.05 0.39 0.17 -0.55 0.00 -1.26 -3.49 105.19 99.40 1o8r n GLY 81 Ca -0.03 -0.98 0.06 0.00 0.00 0.00 0.00 46.02 45.07 1o8r n GLY 81 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 1o8r h THR 82 N 0.00 0.52 -0.09 2.61 1.35 -1.96 -3.33 112.91 112.01 1o8r h THR 82 Ca 0.00 -1.73 0.04 0.00 -0.55 0.00 0.00 66.41 64.17 1o8r h THR 82 Cb 0.00 2.25 -0.05 0.00 -1.73 0.00 0.00 68.15 68.62 1o8r h THR 82 CO 0.00 0.29 -0.24 0.00 -0.25 0.00 0.00 175.52 175.33 1o8r h GLU 84 N -0.32 0.28 -0.68 0.00 4.81 -1.72 -0.61 114.58 116.33 1o8r h GLU 84 Ca 0.09 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.30 1o8r h GLU 84 Cb 0.45 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 29.77 1o8r h GLU 84 CO -0.28 0.18 0.00 0.44 -0.73 0.00 0.00 179.01 178.63 1o8r n ILE 85 N -4.48 1.42 -1.14 2.32 -5.35 -0.38 -4.90 119.36 106.85 1o8r n ILE 85 Ca 0.04 -1.06 -0.09 0.00 -0.27 0.00 0.00 62.75 61.38 1o8r n ILE 85 Cb 0.24 0.27 -0.04 0.00 -1.74 0.00 0.00 39.64 38.37 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 0.77 1.17 -2.62 0.00 0.00 -0.06 -4.72 120.51 115.05 1o8r n ALA 87 Ca -0.09 0.18 -0.14 0.00 0.00 0.00 0.00 53.44 53.40 1o8r n ALA 87 Cb 0.45 -1.34 -0.07 0.00 0.00 0.00 0.00 19.45 18.49 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 -3.52 1.09 -2.00 0.00 1.51 -1.25 -5.01 117.35 108.17 1o8r s TYR 88 Ca -0.01 -1.28 0.17 0.00 -1.01 0.00 0.00 57.07 54.94 1o8r s TYR 88 Cb 0.07 -0.30 1.04 0.00 -0.11 0.00 0.00 41.96 42.66 1o8r s TYR 88 CO 0.24 -0.90 1.54 0.00 -1.11 0.00 0.00 175.55 175.32 1o8r n ALA 89 N -0.45 2.41 -0.18 3.71 0.00 -1.26 -3.63 120.51 121.11 1o8r n ALA 89 Ca 0.02 -0.11 0.01 0.00 0.00 0.00 0.00 53.44 53.37 1o8r n ALA 89 Cb 0.63 -1.28 0.28 0.00 0.00 0.00 0.00 19.45 19.08 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 3.28 1.52 -3.07 0.00 0.00 -1.91 -3.40 119.26 115.68 1o8r h ALA 90 Ca 0.00 -0.05 -0.64 0.00 0.00 0.00 0.00 54.91 54.23 1o8r h ALA 90 Cb 0.00 -0.28 -0.19 0.00 0.00 0.00 0.00 17.79 17.32 1o8r h ALA 90 CO 0.00 0.45 -0.58 0.00 0.00 0.00 0.00 179.25 179.11 1o8r s THR 92 N 1.16 4.39 0.00 0.00 -4.23 -0.80 -4.54 115.64 111.61 1o8r s THR 92 Ca 0.05 -1.38 0.00 0.00 -1.18 0.00 0.00 61.69 59.18 1o8r s THR 92 Cb -0.14 -3.40 0.00 0.00 1.34 0.00 0.00 72.50 70.30 1o8r s THR 92 CO 0.04 -0.33 0.00 0.61 -0.54 0.00 0.00 174.62 174.40 1o8r n GLY 93 N -1.21 0.66 0.16 3.99 0.00 -1.26 -3.15 105.19 104.38 1o8r n GLY 93 Ca -0.07 0.00 0.02 0.00 0.00 0.00 0.00 46.02 45.97 1o8r n GLY 93 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32