#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 4.88 -0.29 1.55 2.01 -1.26 -4.84 115.64 117.68 1o8r s THR 2 Ca 0.00 0.66 -0.14 0.00 0.31 0.00 0.00 61.69 62.52 1o8r s THR 2 Cb 0.00 -3.66 -0.03 0.00 0.01 0.00 0.00 72.50 68.81 1o8r s THR 2 CO 0.00 0.04 0.33 -0.69 -0.69 0.00 0.00 174.62 173.61 1o8r s VAL 3 N -1.70 5.20 0.49 3.82 1.01 -0.09 -1.98 120.40 127.15 1o8r s VAL 3 Ca 0.44 0.32 0.02 0.00 0.00 0.00 0.00 61.98 62.76 1o8r s VAL 3 Cb -0.13 -3.70 -0.02 0.00 0.00 0.00 0.00 36.38 32.53 1o8r s VAL 3 CO 0.20 0.10 0.01 0.00 0.00 0.00 0.00 175.10 175.41 1o8r s GLN 4 N 1.99 2.15 0.32 2.72 -2.07 -0.82 0.27 119.66 124.23 1o8r s GLN 4 Ca 0.12 -2.36 0.00 0.00 -1.82 0.00 0.00 55.36 51.30 1o8r s GLN 4 Cb -0.16 -1.49 0.00 0.00 -1.09 0.00 0.00 33.01 30.27 1o8r s GLN 4 CO 0.11 -0.33 0.00 -3.47 -1.32 0.00 0.00 175.29 170.27 1o8r n ASP 5 N -1.23 -2.07 0.00 12.60 2.03 -1.21 -4.81 116.55 121.86 1o8r n ASP 5 Ca -0.17 0.60 0.00 0.00 0.52 0.00 0.00 54.79 55.74 1o8r n ASP 5 Cb 0.67 2.06 0.00 0.00 -0.72 0.00 0.00 41.12 43.13 1o8r n ASP 5 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1o8r n GLY 6 N -0.22 1.07 0.92 0.27 0.00 -1.26 -4.89 105.19 101.09 1o8r n GLY 6 Ca 0.00 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.09 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 3.56 -4.24 1.61 3.02 -1.26 -4.98 115.26 112.97 1o8r n ASN 7 Ca 0.00 -2.32 -0.14 0.00 -0.03 0.00 0.00 54.58 52.09 1o8r n ASN 7 Cb 0.00 -0.39 -0.10 0.00 -0.61 0.00 0.00 39.78 38.68 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 -1.58 1.24 -0.14 3.10 0.08 -1.26 -5.14 117.98 114.27 1o8r s PHE 8 Ca 0.35 -0.75 -0.07 0.00 0.12 0.00 0.00 56.93 56.58 1o8r s PHE 8 Cb 0.22 -0.64 -0.04 0.00 -0.57 0.00 0.00 43.02 41.99 1o8r s PHE 8 CO 0.17 0.07 0.12 -1.12 -0.10 0.00 0.00 175.22 174.36 1o8r s SER 9 N -3.07 6.15 -0.19 1.36 0.01 -1.26 -3.35 113.70 113.34 1o8r s SER 9 Ca 0.15 0.33 -0.03 0.00 1.31 0.00 0.00 55.95 57.72 1o8r s SER 9 Cb 0.02 -2.01 -0.01 0.00 0.21 0.00 0.00 66.02 64.23 1o8r s SER 9 CO 0.00 0.32 -0.07 -0.36 0.41 0.00 0.00 173.24 173.54 1o8r s PHE 10 N -0.50 2.92 0.83 2.43 0.08 0.77 -4.89 117.98 119.61 1o8r s PHE 10 Ca 0.12 -0.86 -0.10 0.00 0.12 0.00 0.00 56.93 56.21 1o8r s PHE 10 Cb -0.12 -2.02 0.09 0.00 -0.57 0.00 0.00 43.02 40.41 1o8r s PHE 10 CO 0.02 -0.44 1.11 -1.12 -0.10 0.00 0.00 175.22 174.69 1o8r s SER 11 N 1.10 3.89 0.08 1.36 0.01 -1.26 -0.92 113.70 117.96 1o8r s SER 11 Ca 0.01 1.95 0.14 0.00 1.31 0.00 0.00 55.95 59.36 1o8r s SER 11 Cb -0.15 -2.53 -0.14 0.00 0.21 0.00 0.00 66.02 63.42 1o8r s SER 11 CO -0.01 -2.45 0.95 -0.07 0.41 0.00 0.00 173.24 172.07 1o8r h LEU 12 N -1.42 0.00 0.35 2.44 3.38 -1.91 -3.34 115.31 114.80 1o8r h LEU 12 Ca -0.43 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.52 1o8r h LEU 12 Cb 1.25 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.00 1o8r h LEU 12 CO 0.48 0.73 -0.17 -0.08 0.09 0.00 0.00 178.44 179.49 1o8r h GLU 13 N 0.00 -0.45 -0.81 1.13 4.81 -1.92 0.20 114.58 117.53 1o8r h GLU 13 Ca -0.15 0.03 0.18 0.00 -0.13 0.00 0.00 59.36 59.30 1o8r h GLU 13 Cb 1.69 0.10 -0.15 0.00 0.63 0.00 0.00 28.75 31.02 1o8r h GLU 13 CO 0.07 -0.30 -0.10 0.77 -0.73 0.00 0.00 179.01 178.72 1o8r h SER 14 N -0.50 -0.57 -0.36 1.04 0.02 -1.92 0.29 113.55 111.55 1o8r h SER 14 Ca -0.05 0.23 0.02 0.00 -0.84 0.00 0.00 61.79 61.15 1o8r h SER 14 Cb 0.36 0.44 -0.02 0.00 0.14 0.00 0.00 62.40 63.32 1o8r h SER 14 CO 0.08 -0.25 0.21 0.58 -1.14 0.00 0.00 176.83 176.31 1o8r h VAL 15 N 0.04 1.03 0.18 2.27 2.07 -1.67 1.68 116.25 121.85 1o8r h VAL 15 Ca 0.43 -0.15 -0.00 0.00 0.82 0.00 0.00 66.70 67.80 1o8r h VAL 15 Cb 0.72 0.57 -0.01 0.00 -1.52 0.00 0.00 31.29 31.06 1o8r h VAL 15 CO -0.79 0.08 -0.13 0.50 0.02 0.00 0.00 177.57 177.25 1o8r h LYS 16 N 0.43 -0.30 -0.21 1.57 3.64 0.16 0.66 116.57 122.51 1o8r h LYS 16 Ca 0.14 0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.54 1o8r h LYS 16 Cb 0.01 0.07 0.00 0.00 -0.41 0.00 0.00 32.23 31.90 1o8r h LYS 16 CO -0.07 -0.20 0.00 1.63 -2.27 0.00 0.00 179.45 178.54 1o8r n LYS 17 N -5.25 1.07 -0.23 1.90 5.02 0.34 -3.95 118.16 117.07 1o8r n LYS 17 Ca -0.08 -0.09 0.06 0.00 -2.02 0.00 0.00 58.31 56.18 1o8r n LYS 17 Cb 0.17 -1.12 0.32 0.00 -0.02 0.00 0.00 35.03 34.38 1o8r n LYS 17 CO 0.00 0.00 0.00 1.25 -0.52 0.00 0.00 177.40 178.13 1o8r h LEU 18 N 0.14 0.74 -1.07 -0.35 5.85 0.49 -0.66 115.31 120.45 1o8r h LEU 18 Ca 0.00 0.01 -0.00 0.00 0.84 0.00 0.00 57.88 58.72 1o8r h LEU 18 Cb 0.13 -0.15 -0.04 0.00 0.37 0.00 0.00 40.66 40.97 1o8r h LEU 18 CO 0.00 0.47 0.52 0.50 -0.34 0.00 0.00 178.44 179.59 1o8r h LYS 19 N 0.83 1.15 -3.30 1.25 3.64 -1.75 -3.42 116.57 114.98 1o8r h LYS 19 Ca 0.35 -0.10 -0.31 0.00 -1.27 0.00 0.00 60.65 59.32 1o8r h LYS 19 Cb 0.29 -0.24 -0.35 0.00 -0.41 0.00 0.00 32.23 31.51 1o8r h LYS 19 CO -0.13 0.80 -0.68 0.34 -2.27 0.00 0.00 179.45 177.52 1o8r s ASP 20 N -6.27 0.50 0.21 4.20 2.15 -0.26 -5.04 116.67 112.16 1o8r s ASP 20 Ca -0.12 0.18 -0.11 0.00 0.43 0.00 0.00 52.55 52.92 1o8r s ASP 20 Cb 0.17 0.05 0.27 0.00 -0.30 0.00 0.00 42.92 43.12 1o8r s ASP 20 CO 0.81 -0.20 1.67 -0.07 -0.17 0.00 0.00 175.17 177.21 1o8r h LEU 21 N 7.87 -0.26 -2.93 -1.34 -0.00 -1.80 -3.43 115.31 113.42 1o8r h LEU 21 Ca -0.28 0.15 -0.51 0.00 -0.00 0.00 0.00 57.88 57.24 1o8r h LEU 21 Cb 1.12 0.26 0.00 0.00 -0.00 0.00 0.00 40.66 42.04 1o8r h LEU 21 CO 0.29 -0.11 -0.95 0.00 -0.00 0.00 0.00 178.44 177.68 1o8r n GLN 22 N -5.27 -1.54 -3.55 1.13 6.02 -1.26 -2.57 117.38 110.34 1o8r n GLN 22 Ca 0.08 0.32 -0.31 0.00 -0.01 0.00 0.00 57.00 57.08 1o8r n GLN 22 Cb 0.34 -3.81 0.02 0.00 1.02 0.00 0.00 30.24 27.81 1o8r n GLN 22 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 177.06 176.44 1o8r n GLU 23 N -4.49 -1.81 -1.83 -1.09 4.71 -1.26 -4.80 120.64 110.07 1o8r n GLU 23 Ca -0.18 1.25 -0.41 0.00 -0.01 0.00 0.00 57.16 57.81 1o8r n GLU 23 Cb 0.62 -2.47 -0.02 0.00 -1.01 0.00 0.00 31.44 28.57 1o8r n GLU 23 CO 0.00 0.00 0.00 -2.14 0.09 0.00 0.00 177.13 175.08 1o8r s PRO 24 N -3.32 4.15 0.22 3.49 0.02 -1.06 -5.01 135.00 133.49 1o8r s PRO 24 Ca 0.24 2.52 -0.10 0.00 0.02 0.00 0.00 61.00 63.68 1o8r s PRO 24 Cb -0.03 -3.03 -0.01 0.00 0.02 0.00 0.00 34.50 31.45 1o8r s PRO 24 CO 0.87 -0.57 0.37 -1.14 -0.33 0.00 0.00 177.00 176.20 1o8r s GLN 25 N -0.74 1.38 -0.47 5.54 0.74 -1.26 -5.09 119.66 119.77 1o8r s GLN 25 Ca 0.61 -1.29 0.09 0.00 0.05 0.00 0.00 55.36 54.81 1o8r s GLN 25 Cb -0.46 0.41 0.33 0.00 1.10 0.00 0.00 33.01 34.38 1o8r s GLN 25 CO 0.49 -0.54 0.78 0.39 -0.55 0.00 0.00 175.29 175.86 1o8r n GLU 26 N -0.32 1.85 -1.44 1.67 1.02 -1.26 -4.93 120.64 117.24 1o8r n GLU 26 Ca -0.03 -3.98 -0.35 0.00 -0.02 0.00 0.00 57.16 52.78 1o8r n GLU 26 Cb 0.63 -1.88 0.09 0.00 -0.02 0.00 0.00 31.44 30.26 1o8r n GLU 26 CO 0.00 0.00 0.00 -1.25 1.18 0.00 0.00 177.13 177.06 1o8r s PRO 27 N -2.64 2.13 -0.12 3.49 0.04 -1.26 -5.00 135.00 131.63 1o8r s PRO 27 Ca 0.42 1.82 -0.09 0.00 0.04 0.00 0.00 61.00 63.20 1o8r s PRO 27 Cb 0.29 -1.83 -0.04 0.00 0.04 0.00 0.00 34.50 32.96 1o8r s PRO 27 CO -0.10 -1.86 0.17 -0.98 0.04 0.00 0.00 177.00 174.27 1o8r s ARG 28 N -3.85 3.65 0.01 4.56 1.70 -1.26 -4.82 118.95 118.93 1o8r s ARG 28 Ca 0.76 -0.09 -0.01 0.00 -0.47 0.00 0.00 55.73 55.92 1o8r s ARG 28 Cb -0.31 -3.24 0.00 0.00 -0.57 0.00 0.00 34.95 30.83 1o8r s ARG 28 CO 0.45 0.67 0.01 0.28 -1.08 0.00 0.00 175.30 175.63 1o8r n VAL 29 N 2.30-11.02 -3.37 4.99 0.31 -1.26 -5.06 118.33 105.22 1o8r n VAL 29 Ca -0.18 2.59 0.00 0.00 -0.01 0.00 0.00 64.34 66.73 1o8r n VAL 29 Cb 0.54 -5.30 0.00 0.00 -0.91 0.00 0.00 33.84 28.17 1o8r n VAL 29 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1o8r n GLY 30 N 1.89 1.25 3.75 2.92 0.00 -1.26 -5.14 105.19 108.59 1o8r n GLY 30 Ca -0.02 -0.86 -0.36 0.00 0.00 0.00 0.00 46.02 44.78 1o8r n GLY 30 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1o8r s LYS 31 N -1.53 2.95 0.70 1.61 2.20 -1.26 -4.97 119.74 119.44 1o8r s LYS 31 Ca 0.00 1.85 -0.14 0.00 -0.36 0.00 0.00 55.97 57.32 1o8r s LYS 31 Cb 0.00 -1.93 0.02 0.00 -1.51 0.00 0.00 37.83 34.41 1o8r s LYS 31 CO 0.00 -1.23 1.12 -0.51 -0.36 0.00 0.00 175.35 174.37 1o8r s LEU 32 N -4.07 3.30 -0.20 5.43 1.43 -1.26 -5.01 118.68 118.30 1o8r s LEU 32 Ca 0.78 2.02 -0.11 0.00 -1.03 0.00 0.00 54.13 55.79 1o8r s LEU 32 Cb -0.31 -4.55 -0.05 0.00 0.03 0.00 0.00 46.19 41.31 1o8r s LEU 32 CO 0.34 -1.83 0.17 -0.13 0.23 0.00 0.00 176.35 175.12 1o8r s ARG 33 N -4.23 4.17 0.04 1.70 1.81 -1.26 -5.08 118.95 116.10 1o8r s ARG 33 Ca 0.67 -0.18 0.02 0.00 -1.72 0.00 0.00 55.73 54.52 1o8r s ARG 33 Cb -0.21 -3.45 -0.03 0.00 -0.45 0.00 0.00 34.95 30.81 1o8r s ARG 33 CO 0.45 0.23 -0.07 0.54 -0.68 0.00 0.00 175.30 175.77 1o8r s ASN 34 N 0.55 0.78 0.06 0.23 4.22 -1.25 -4.21 114.94 115.31 1o8r s ASN 34 Ca 0.09 -0.60 -0.00 0.00 -2.14 0.00 0.00 52.86 50.21 1o8r s ASN 34 Cb -0.12 0.06 -0.04 0.00 1.28 0.00 0.00 41.25 42.43 1o8r s ASN 34 CO 0.01 -0.26 -0.04 0.12 -2.04 0.00 0.00 177.10 174.89 1o8r s PHE 35 N -1.68 0.57 0.20 1.54 5.36 -1.26 -4.87 117.98 117.84 1o8r s PHE 35 Ca -0.08 -0.94 -0.32 0.00 -0.96 0.00 0.00 56.93 54.63 1o8r s PHE 35 Cb -0.08 -0.39 -0.12 0.00 -0.34 0.00 0.00 43.02 42.09 1o8r s PHE 35 CO -0.01 -0.29 1.73 0.00 -1.46 0.00 0.00 175.22 175.19 1o8r n ALA 36 N 0.34 2.75 -0.46 11.12 0.00 -1.26 -4.76 120.51 128.24 1o8r n ALA 36 Ca -0.15 0.40 -0.22 0.00 0.00 0.00 0.00 53.44 53.47 1o8r n ALA 36 Cb 0.60 -2.52 -0.04 0.00 0.00 0.00 0.00 19.45 17.49 1o8r n ALA 36 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1o8r n PRO 37 N 4.08 0.75 -3.19 0.00 -0.05 -1.26 -4.57 135.00 130.75 1o8r n PRO 37 Ca 0.16 -1.05 -0.25 0.00 -0.05 0.00 0.00 63.50 62.31 1o8r n PRO 37 Cb 0.35 -2.36 -0.06 0.00 -0.05 0.00 0.00 33.50 31.38 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 5.38 1.66 -1.83 0.52 2.08 -1.26 -5.09 119.36 120.82 1o8r n ILE 38 Ca 0.29 -5.03 -0.37 0.00 0.56 0.00 0.00 62.75 58.19 1o8r n ILE 38 Cb 0.18 -1.57 0.05 0.00 -0.75 0.00 0.00 39.64 37.55 1o8r n ILE 38 CO 0.00 0.00 0.00 -2.16 0.56 0.00 0.00 176.55 174.95 1o8r s PRO 39 N -2.56 2.89 0.00 0.38 0.04 -1.26 -4.52 135.00 129.97 1o8r s PRO 39 Ca 0.42 2.08 0.00 0.00 0.04 0.00 0.00 61.00 63.54 1o8r s PRO 39 Cb 0.23 -2.03 0.00 0.00 0.04 0.00 0.00 34.50 32.73 1o8r s PRO 39 CO -0.08 -1.34 0.00 0.41 0.04 0.00 0.00 177.00 176.03 1o8r n GLY 40 N 0.75 1.00 2.41 0.56 0.00 -1.26 -5.03 105.19 103.62 1o8r n GLY 40 Ca 0.13 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.89 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 1.42 -1.80 1.61 1.02 -1.26 -5.05 120.64 116.57 1o8r n GLU 41 Ca 0.00 -3.90 -0.40 0.00 -0.02 0.00 0.00 57.16 52.83 1o8r n GLU 41 Cb 0.00 -1.81 0.01 0.00 -0.02 0.00 0.00 31.44 29.62 1o8r n GLU 41 CO 0.00 0.00 0.00 -2.14 1.18 0.00 0.00 177.13 176.17 1o8r s PRO 42 N -1.47 3.85 -0.35 3.49 0.01 -1.26 -4.85 135.00 134.42 1o8r s PRO 42 Ca 0.35 2.47 0.15 0.00 0.01 0.00 0.00 61.00 63.98 1o8r s PRO 42 Cb 0.11 -2.77 0.41 0.00 0.01 0.00 0.00 34.50 32.25 1o8r s PRO 42 CO -0.10 -0.71 0.85 1.33 0.01 0.00 0.00 177.00 178.39 1o8r n VAL 43 N 0.05 0.42 -2.62 3.83 0.24 -1.26 -4.91 118.33 114.07 1o8r n VAL 43 Ca 0.04 -3.73 -0.12 0.00 -2.04 0.00 0.00 64.34 58.48 1o8r n VAL 43 Cb 0.41 0.25 0.03 0.00 -1.47 0.00 0.00 33.84 33.05 1o8r n VAL 43 CO 0.00 0.00 0.00 1.33 -2.14 0.00 0.00 176.83 176.02 1o8r n VAL 44 N 0.10 1.37 0.00 3.34 0.24 -1.26 -2.08 118.33 120.05 1o8r n VAL 44 Ca 0.16 -3.45 0.00 0.00 -2.04 0.00 0.00 64.34 59.02 1o8r n VAL 44 Cb 0.74 0.32 0.00 0.00 -1.47 0.00 0.00 33.84 33.43 1o8r n VAL 44 CO 0.00 0.00 0.00 -0.81 -2.14 0.00 0.00 176.83 173.88 1o8r n PRO 45 N -0.26 2.04 -1.64 7.34 -0.04 -1.26 -4.22 135.00 136.96 1o8r n PRO 45 Ca 0.16 0.00 -0.43 0.00 -0.04 0.00 0.00 63.50 63.19 1o8r n PRO 45 Cb 0.79 0.00 -0.03 0.00 -0.04 0.00 0.00 33.50 34.22 1o8r n PRO 45 CO 0.00 0.00 0.00 1.51 -0.04 0.00 0.00 175.50 176.97 1o8r n ILE 46 N 0.00 0.64 -3.47 0.52 3.06 -1.26 -1.67 119.36 117.18 1o8r n ILE 46 Ca 0.00 -0.22 -0.21 0.00 -2.50 0.00 0.00 62.75 59.82 1o8r n ILE 46 Cb 0.00 -2.34 0.07 0.00 0.54 0.00 0.00 39.64 37.91 1o8r n ILE 46 CO 0.00 0.00 0.00 0.18 -2.50 0.00 0.00 176.55 174.23 1o8r n LEU 47 N 8.62 -3.29 -1.37 9.51 7.99 -1.26 -4.68 117.00 132.51 1o8r n LEU 47 Ca 0.23 -0.49 0.07 0.00 -0.01 0.00 0.00 56.01 55.82 1o8r n LEU 47 Cb 0.41 -2.77 -0.04 0.00 -0.11 0.00 0.00 43.42 40.91 1o8r n LEU 47 CO 0.68 0.57 -0.50 0.00 -1.51 0.00 0.00 177.39 176.63 1o8r h SER 49 N -0.48 0.00 -3.61 0.00 0.02 -1.67 -3.40 113.55 104.41 1o8r h SER 49 Ca -0.08 -0.10 -0.56 0.00 -0.84 0.00 0.00 61.79 60.21 1o8r h SER 49 Cb 1.04 0.00 -0.07 0.00 0.14 0.00 0.00 62.40 63.52 1o8r h SER 49 CO 0.03 0.81 0.96 0.20 -1.14 0.00 0.00 176.83 177.69 1o8r s ASN 50 N -5.86 6.58 0.09 3.07 -0.87 -1.26 -4.86 114.94 111.83 1o8r s ASN 50 Ca -0.14 0.56 0.08 0.00 -1.57 0.00 0.00 52.86 51.80 1o8r s ASN 50 Cb 0.02 -2.55 0.42 0.00 -0.02 0.00 0.00 41.25 39.12 1o8r s ASN 50 CO 0.24 -1.28 1.26 -0.81 -2.57 0.00 0.00 177.10 173.94 1o8r n PRO 51 N 7.87 0.04 -1.66 -0.60 -0.05 -1.26 -2.06 135.00 137.28 1o8r n PRO 51 Ca 0.13 0.49 -0.02 0.00 -0.05 0.00 0.00 63.50 64.05 1o8r n PRO 51 Cb 0.49 -1.63 0.08 0.00 -0.05 0.00 0.00 33.50 32.39 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 -1.72 2.11 -4.50 3.54 3.02 -1.26 -5.04 115.26 111.41 1o8r n ASN 52 Ca 0.00 -2.88 -0.29 0.00 -0.03 0.00 0.00 54.58 51.38 1o8r n ASN 52 Cb 0.05 -0.41 0.14 0.00 -0.61 0.00 0.00 39.78 38.94 1o8r n ASN 52 CO 0.00 0.00 0.00 0.72 -2.62 0.00 0.00 177.26 175.36 1o8r s PHE 53 N -2.46 2.23 -0.57 3.10 -0.71 -0.88 -4.79 117.98 113.91 1o8r s PHE 53 Ca 0.37 0.51 -0.23 0.00 -1.04 0.00 0.00 56.93 56.54 1o8r s PHE 53 Cb 0.37 -3.82 -0.24 0.00 -1.21 0.00 0.00 43.02 38.13 1o8r s PHE 53 CO -0.07 -2.23 1.73 -2.30 -1.34 0.00 0.00 175.22 171.01 1o8r n PRO 54 N -3.54 0.05 -0.32 1.99 -0.01 -1.26 -4.64 135.00 127.27 1o8r n PRO 54 Ca 0.12 -1.19 0.32 0.00 -0.01 0.00 0.00 63.50 62.74 1o8r n PRO 54 Cb 0.60 -2.99 0.50 0.00 -0.01 0.00 0.00 33.50 31.60 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 7.37 0.01 0.31 -0.52 2.13 -1.26 0.25 120.64 128.92 1o8r n GLU 55 Ca 0.35 0.99 0.16 0.00 0.66 0.00 0.00 57.16 59.32 1o8r n GLU 55 Cb 0.44 -2.42 0.80 0.00 0.27 0.00 0.00 31.44 30.53 1o8r n GLU 55 CO 0.00 0.00 0.00 1.49 -0.41 0.00 0.00 177.13 178.21 1o8r h GLU 56 N 0.00 0.00 -0.14 5.31 4.57 -1.93 1.66 114.58 124.04 1o8r h GLU 56 Ca 0.57 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.75 1o8r h GLU 56 Cb 3.00 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 31.59 1o8r h GLU 56 CO -0.01 0.00 0.00 1.28 -1.18 0.00 0.00 179.01 179.10 1o8r n LEU 57 N -2.99 0.84 -0.36 1.64 4.77 0.68 -4.35 117.00 117.23 1o8r n LEU 57 Ca -0.01 -0.40 0.03 0.00 -0.03 0.00 0.00 56.01 55.60 1o8r n LEU 57 Cb 0.42 -0.09 0.10 0.00 -2.33 0.00 0.00 43.42 41.52 1o8r n LEU 57 CO 0.15 0.20 0.62 1.17 -1.33 0.00 0.00 177.39 178.20 1o8r n LYS 58 N -0.10 -0.14 -0.22 3.23 4.81 0.56 0.66 118.16 126.97 1o8r n LYS 58 Ca 0.08 1.52 -0.02 0.00 -0.87 0.00 0.00 58.31 59.02 1o8r n LYS 58 Cb 0.15 -2.26 0.09 0.00 0.02 0.00 0.00 35.03 33.03 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 0.63 -0.97 1.64 0.10 -1.82 -2.00 132.00 129.59 1o8r h PRO 59 Ca 0.42 -0.04 -0.00 0.00 0.10 0.00 0.00 66.00 66.48 1o8r h PRO 59 Cb 0.67 -0.14 -0.05 0.00 0.10 0.00 0.00 31.00 31.58 1o8r h PRO 59 CO -0.99 0.42 0.60 -0.07 0.10 0.00 0.00 178.00 178.05 1o8r h LEU 60 N 0.65 1.15 -1.58 2.35 3.38 -0.08 -1.75 115.31 119.43 1o8r h LEU 60 Ca 0.29 -0.06 -0.05 0.00 0.09 0.00 0.00 57.88 58.15 1o8r h LEU 60 Cb 0.19 -0.29 -0.01 0.00 0.09 0.00 0.00 40.66 40.64 1o8r h LEU 60 CO -0.18 0.86 -0.23 0.00 0.09 0.00 0.00 178.44 178.98 1o8r n LYS 62 N -4.00 1.86 -4.36 0.00 4.81 -0.69 -4.83 118.16 110.95 1o8r n LYS 62 Ca -0.02 -1.31 -0.20 0.00 -0.87 0.00 0.00 58.31 55.91 1o8r n LYS 62 Cb 0.30 -1.37 -0.14 0.00 0.02 0.00 0.00 35.03 33.85 1o8r n LYS 62 CO 0.00 0.00 0.00 -1.83 1.17 0.00 0.00 177.40 176.74 1o8r s GLU 63 N -1.64 0.89 0.00 1.64 -1.05 -0.74 -5.00 118.70 112.81 1o8r s GLU 63 Ca 0.30 -0.67 0.03 0.00 -0.15 0.00 0.00 54.97 54.49 1o8r s GLU 63 Cb 0.16 -0.88 0.15 0.00 -0.44 0.00 0.00 34.13 33.13 1o8r s GLU 63 CO 0.23 0.22 1.03 -0.35 0.95 0.00 0.00 175.26 177.35 1o8r n PRO 64 N 2.09 0.02 0.17 -4.83 -0.05 -1.26 -1.71 135.00 129.43 1o8r n PRO 64 Ca -0.17 0.37 0.05 0.00 -0.05 0.00 0.00 63.50 63.70 1o8r n PRO 64 Cb 0.55 -1.50 0.10 0.00 -0.05 0.00 0.00 33.50 32.60 1o8r n PRO 64 CO 0.00 0.00 0.00 -0.91 -0.05 0.00 0.00 175.50 174.54 1o8r h ASN 65 N 0.00 0.00 -0.95 3.54 2.35 -1.95 -3.24 115.58 115.33 1o8r h ASN 65 Ca 0.00 0.00 0.21 0.00 -0.55 0.00 0.00 56.30 55.96 1o8r h ASN 65 Cb 0.05 0.00 -0.08 0.00 0.05 0.00 0.00 38.32 38.34 1o8r h ASN 65 CO 0.00 0.36 0.62 0.00 -1.65 0.00 0.00 177.43 176.76 1o8r h ALA 66 N 1.64 2.09 -0.58 -0.83 0.00 -1.35 0.98 119.26 121.21 1o8r h ALA 66 Ca -0.00 0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 1o8r h ALA 66 Cb 1.24 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.97 1o8r h ALA 66 CO 0.05 -0.42 0.32 1.96 0.00 0.00 0.00 179.25 181.15 1o8r h GLN 67 N 0.49 0.82 0.23 0.00 4.20 -1.78 0.80 115.11 119.86 1o8r h GLN 67 Ca 0.52 -0.10 -0.30 0.00 0.06 0.00 0.00 58.65 58.83 1o8r h GLN 67 Cb 1.17 -0.16 0.03 0.00 0.30 0.00 0.00 27.48 28.83 1o8r h GLN 67 CO -0.24 0.63 -1.33 1.49 -0.67 0.00 0.00 178.83 178.71 1o8r h GLU 68 N 0.79 0.48 -0.28 1.46 4.81 -0.95 -3.24 114.58 117.65 1o8r h GLU 68 Ca 0.21 -0.82 -0.02 0.00 -0.13 0.00 0.00 59.36 58.59 1o8r h GLU 68 Cb 0.05 0.30 -0.01 0.00 0.63 0.00 0.00 28.75 29.72 1o8r h GLU 68 CO -0.03 1.39 0.08 0.82 -0.73 0.00 0.00 179.01 180.54 1o8r h ILE 69 N 0.01 1.21 -0.35 2.32 2.04 0.97 -3.06 117.51 120.66 1o8r h ILE 69 Ca -0.23 -0.67 0.07 0.00 1.00 0.00 0.00 64.86 65.03 1o8r h ILE 69 Cb 2.04 1.12 -0.08 0.00 -0.74 0.00 0.00 36.82 39.15 1o8r h ILE 69 CO 0.24 0.22 -0.29 0.25 0.00 0.00 0.00 178.15 178.57 1o8r h LEU 70 N 0.28 -0.96 -0.62 1.44 7.12 0.51 -0.03 115.31 123.05 1o8r h LEU 70 Ca 0.09 0.17 0.11 0.00 0.13 0.00 0.00 57.88 58.38 1o8r h LEU 70 Cb 0.26 0.45 -0.12 0.00 -0.53 0.00 0.00 40.66 40.72 1o8r h LEU 70 CO -0.00 -0.30 -0.33 1.56 -0.13 0.00 0.00 178.44 179.23 1o8r h GLN 71 N -0.25 -0.14 0.31 1.25 4.20 -1.56 0.44 115.11 119.36 1o8r h GLN 71 Ca 0.16 0.01 -0.00 0.00 0.06 0.00 0.00 58.65 58.88 1o8r h GLN 71 Cb 0.51 0.03 -0.01 0.00 0.30 0.00 0.00 27.48 28.31 1o8r h GLN 71 CO -0.49 -0.09 -0.25 0.00 -0.67 0.00 0.00 178.83 177.33 1o8r h ARG 72 N -0.14 -0.54 -0.60 1.46 3.08 -1.18 -1.77 114.38 114.69 1o8r h ARG 72 Ca 0.24 0.04 0.09 0.00 0.07 0.00 0.00 59.98 60.42 1o8r h ARG 72 Cb 0.55 0.12 -0.11 0.00 0.08 0.00 0.00 29.97 30.62 1o8r h ARG 72 CO -0.70 -0.36 -0.42 -0.07 -1.07 0.00 0.00 179.97 177.35 1o8r h LEU 73 N -0.56 -1.44 -0.24 3.04 3.38 0.42 0.17 115.31 120.07 1o8r h LEU 73 Ca -0.02 0.25 0.06 0.00 0.09 0.00 0.00 57.88 58.26 1o8r h LEU 73 Cb 0.50 0.67 -0.07 0.00 0.09 0.00 0.00 40.66 41.84 1o8r h LEU 73 CO -0.01 -0.33 -0.26 -0.33 0.09 0.00 0.00 178.44 177.59 1o8r h GLU 74 N -0.21 -0.26 0.11 1.13 5.08 -0.69 0.33 114.58 120.07 1o8r h GLU 74 Ca 0.19 0.02 0.02 0.00 -1.00 0.00 0.00 59.36 58.59 1o8r h GLU 74 Cb 0.56 0.06 -0.03 0.00 0.50 0.00 0.00 28.75 29.84 1o8r h GLU 74 CO -0.70 -0.18 -0.26 1.49 -1.00 0.00 0.00 179.01 178.36 1o8r h GLU 75 N -0.27 -0.45 -0.79 2.33 4.81 -0.15 -1.67 114.58 118.38 1o8r h GLU 75 Ca 0.13 0.03 0.04 0.00 -0.13 0.00 0.00 59.36 59.43 1o8r h GLU 75 Cb 0.48 0.10 -0.04 0.00 0.63 0.00 0.00 28.75 29.92 1o8r h GLU 75 CO -0.40 -0.30 0.52 0.82 -0.73 0.00 0.00 179.01 178.92 1o8r h ILE 76 N -0.47 1.12 -0.50 2.32 1.08 -0.29 -0.33 117.51 120.44 1o8r h ILE 76 Ca 0.03 -0.33 0.08 0.00 -0.39 0.00 0.00 64.86 64.25 1o8r h ILE 76 Cb 0.50 0.07 -0.03 0.00 -3.07 0.00 0.00 36.82 34.29 1o8r h ILE 76 CO -0.16 0.18 0.34 0.00 -0.69 0.00 0.00 178.15 177.82 1o8r h ALA 77 N 1.54 2.00 -0.81 1.87 0.00 0.55 -1.38 119.26 123.03 1o8r h ALA 77 Ca 0.32 -0.01 0.01 0.00 0.00 0.00 0.00 54.91 55.22 1o8r h ALA 77 Cb 0.05 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 17.72 1o8r h ALA 77 CO -0.09 -0.10 0.53 0.93 0.00 0.00 0.00 179.25 180.51 1o8r h GLU 78 N 0.36 1.07 -3.73 0.00 5.08 -0.40 -3.38 114.58 113.59 1o8r h GLU 78 Ca 0.23 -0.07 -0.08 0.00 -1.00 0.00 0.00 59.36 58.43 1o8r h GLU 78 Cb 0.42 -0.24 -0.14 0.00 0.50 0.00 0.00 28.75 29.29 1o8r h GLU 78 CO -0.05 0.71 -0.33 0.16 -1.00 0.00 0.00 179.01 178.50 1o8r s ASP 79 N -5.95 0.07 0.07 1.42 1.47 -0.52 -3.87 116.67 109.36 1o8r s ASP 79 Ca -0.13 -0.58 -0.34 0.00 1.18 0.00 0.00 52.55 52.68 1o8r s ASP 79 Cb 0.16 0.35 -0.19 0.00 -0.34 0.00 0.00 42.92 42.90 1o8r s ASP 79 CO 0.79 -0.73 1.62 1.55 0.68 0.00 0.00 175.17 179.08 1o8r h PRO 80 N 2.76 -0.94 0.00 2.11 0.13 -1.88 -3.42 132.00 130.76 1o8r h PRO 80 Ca -0.34 0.06 0.00 0.00 -0.87 0.00 0.00 66.00 64.86 1o8r h PRO 80 Cb 1.21 0.21 0.00 0.00 0.13 0.00 0.00 31.00 32.55 1o8r h PRO 80 CO 0.54 -0.63 0.00 0.41 -0.23 0.00 0.00 178.00 178.10 1o8r n GLY 81 N -1.51 0.78 0.21 1.56 0.00 -1.26 -3.17 105.19 101.79 1o8r n GLY 81 Ca -0.14 -0.84 0.10 0.00 0.00 0.00 0.00 46.02 45.14 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 0.25 0.03 2.61 1.35 -1.96 -3.31 112.91 111.88 1o8r h THR 82 Ca 0.00 -1.24 0.03 0.00 -0.55 0.00 0.00 66.41 64.65 1o8r h THR 82 Cb 0.00 2.02 -0.04 0.00 -1.73 0.00 0.00 68.15 68.40 1o8r h THR 82 CO 0.00 0.13 -0.25 0.00 -0.25 0.00 0.00 175.52 175.15 1o8r h GLU 84 N -0.41 0.23 -0.64 0.00 4.81 -1.69 0.12 114.58 117.01 1o8r h GLU 84 Ca 0.05 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.27 1o8r h GLU 84 Cb 0.48 -0.05 0.00 0.00 0.63 0.00 0.00 28.75 29.81 1o8r h GLU 84 CO -0.20 0.15 0.00 0.44 -0.73 0.00 0.00 179.01 178.67 1o8r n ILE 85 N -4.44 0.98 -1.45 2.32 -5.35 -0.49 -4.90 119.36 106.03 1o8r n ILE 85 Ca 0.09 -0.88 -0.16 0.00 -0.27 0.00 0.00 62.75 61.54 1o8r n ILE 85 Cb 0.45 0.36 -0.07 0.00 -1.74 0.00 0.00 39.64 38.64 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 1.03 1.83 -2.73 0.00 0.00 0.06 -4.78 120.51 115.91 1o8r n ALA 87 Ca -0.16 -0.07 -0.10 0.00 0.00 0.00 0.00 53.44 53.11 1o8r n ALA 87 Cb 0.57 -1.26 -0.07 0.00 0.00 0.00 0.00 19.45 18.69 1o8r n ALA 87 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 177.50 177.03 1o8r s TYR 88 N -2.76 0.56 -2.00 0.00 5.04 -1.25 -4.99 117.35 111.94 1o8r s TYR 88 Ca 0.12 -0.89 0.12 0.00 -2.44 0.00 0.00 57.07 53.98 1o8r s TYR 88 Cb 0.11 -0.10 0.72 0.00 0.35 0.00 0.00 41.96 43.04 1o8r s TYR 88 CO 0.27 -0.78 1.28 0.00 -1.34 0.00 0.00 175.55 174.98 1o8r n ALA 89 N -0.27 2.32 -0.03 3.97 0.00 -1.26 -3.50 120.51 121.74 1o8r n ALA 89 Ca -0.04 -0.08 -0.03 0.00 0.00 0.00 0.00 53.44 53.30 1o8r n ALA 89 Cb 0.63 -1.20 0.22 0.00 0.00 0.00 0.00 19.45 19.11 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 3.01 1.20 -2.77 0.00 0.00 -1.91 -3.41 119.26 115.37 1o8r h ALA 90 Ca 0.00 -0.26 -0.63 0.00 0.00 0.00 0.00 54.91 54.02 1o8r h ALA 90 Cb 0.00 -0.16 -0.15 0.00 0.00 0.00 0.00 17.79 17.49 1o8r h ALA 90 CO 0.00 0.52 -0.29 0.00 0.00 0.00 0.00 179.25 179.48 1o8r n THR 92 N 5.03 0.00 0.07 0.00 -1.04 -0.84 -4.38 114.28 113.12 1o8r n THR 92 Ca -0.10 -0.29 -0.17 0.00 -2.04 0.00 0.00 64.05 61.45 1o8r n THR 92 Cb 0.51 1.18 -0.14 0.00 -1.82 0.00 0.00 70.33 70.05 1o8r n THR 92 CO 0.00 0.00 0.00 1.23 -0.64 0.00 0.00 175.07 175.66 1o8r h GLY 93 N 3.70 0.31 0.00 3.41 0.00 -1.91 -3.47 103.07 105.11 1o8r h GLY 93 Ca 0.00 -0.79 0.00 0.00 0.00 0.00 0.00 47.33 46.54 1o8r h GLY 93 CO 0.00 0.69 0.00 0.00 0.00 0.00 0.00 176.54 177.23