#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 2.44 -0.13 2.52 -1.32 -1.25 -4.89 115.64 113.01 1o8r s THR 2 Ca 0.00 -2.15 -0.28 0.00 -1.21 0.00 0.00 61.69 58.05 1o8r s THR 2 Cb 0.00 -2.65 -0.01 0.00 -1.51 0.00 0.00 72.50 68.33 1o8r s THR 2 CO 0.00 -0.24 0.97 -0.69 -2.21 0.00 0.00 174.62 172.45 1o8r s VAL 3 N -2.56 4.80 -0.20 5.08 1.01 -0.25 -1.97 120.40 126.32 1o8r s VAL 3 Ca 0.33 1.94 -0.02 0.00 0.00 0.00 0.00 61.98 64.23 1o8r s VAL 3 Cb 0.00 -4.27 -0.00 0.00 0.00 0.00 0.00 36.38 32.11 1o8r s VAL 3 CO 0.17 -0.01 -0.08 -1.58 0.00 0.00 0.00 175.10 173.60 1o8r s GLN 4 N 2.17 3.31 -0.07 2.72 0.74 -0.87 -1.27 119.66 126.38 1o8r s GLN 4 Ca 0.45 -0.67 0.18 0.00 0.05 0.00 0.00 55.36 55.37 1o8r s GLN 4 Cb -0.17 -2.88 0.64 0.00 1.10 0.00 0.00 33.01 31.70 1o8r s GLN 4 CO 0.15 -0.14 1.53 -0.40 -0.55 0.00 0.00 175.29 175.89 1o8r n ASP 5 N 4.57 4.13 0.00 6.67 5.68 -1.26 -4.85 116.55 131.50 1o8r n ASP 5 Ca -0.19 -2.29 0.00 0.00 -0.50 0.00 0.00 54.79 51.82 1o8r n ASP 5 Cb 0.51 -0.52 0.00 0.00 -1.14 0.00 0.00 41.12 39.97 1o8r n ASP 5 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1o8r n GLY 6 N 1.21 -0.62 1.29 6.12 0.00 -1.26 -4.94 105.19 106.99 1o8r n GLY 6 Ca 0.23 0.13 0.06 0.00 0.00 0.00 0.00 46.02 46.44 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 3.75 -4.18 1.61 3.02 -1.26 -4.84 115.26 113.36 1o8r n ASN 7 Ca 0.00 -2.42 -0.31 0.00 -0.03 0.00 0.00 54.58 51.81 1o8r n ASN 7 Cb 0.00 -0.53 -0.17 0.00 -0.61 0.00 0.00 39.78 38.47 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 -1.91 2.47 -0.28 3.10 0.08 -1.26 -5.09 117.98 115.09 1o8r s PHE 8 Ca 0.36 -1.10 -0.27 0.00 0.12 0.00 0.00 56.93 56.05 1o8r s PHE 8 Cb 0.25 -1.67 0.01 0.00 -0.57 0.00 0.00 43.02 41.03 1o8r s PHE 8 CO 0.15 -0.47 0.96 -1.54 -0.10 0.00 0.00 175.22 174.22 1o8r s SER 9 N 0.56 6.91 -0.16 1.36 1.04 -1.26 -3.98 113.70 118.17 1o8r s SER 9 Ca -0.14 1.07 0.01 0.00 0.48 0.00 0.00 55.95 57.37 1o8r s SER 9 Cb -0.17 -2.50 0.01 0.00 0.10 0.00 0.00 66.02 63.46 1o8r s SER 9 CO 0.04 -0.70 -0.17 -0.36 0.98 0.00 0.00 173.24 173.03 1o8r s PHE 10 N 3.23 2.77 1.02 5.02 0.08 -0.39 -4.98 117.98 124.73 1o8r s PHE 10 Ca 0.41 -1.28 -0.12 0.00 0.12 0.00 0.00 56.93 56.05 1o8r s PHE 10 Cb -0.14 -1.90 0.20 0.00 -0.57 0.00 0.00 43.02 40.61 1o8r s PHE 10 CO 0.10 -0.61 1.08 0.45 -0.10 0.00 0.00 175.22 176.14 1o8r s SER 11 N 1.01 2.36 0.00 1.36 0.15 -1.26 -1.09 113.70 116.23 1o8r s SER 11 Ca -0.02 1.31 0.25 0.00 0.70 0.00 0.00 55.95 58.19 1o8r s SER 11 Cb -0.15 -1.99 0.55 0.00 -1.71 0.00 0.00 66.02 62.72 1o8r s SER 11 CO -0.04 -3.31 1.46 0.18 1.20 0.00 0.00 173.24 172.73 1o8r n LEU 12 N -4.30 2.44 0.00 3.45 4.32 -1.26 -4.44 117.00 117.21 1o8r n LEU 12 Ca 0.05 -0.86 0.00 0.00 -0.02 0.00 0.00 56.01 55.18 1o8r n LEU 12 Cb 0.56 -0.03 0.00 0.00 -1.62 0.00 0.00 43.42 42.33 1o8r n LEU 12 CO 0.57 0.43 0.14 1.21 -1.22 0.00 0.00 177.39 178.51 1o8r n GLU 13 N 0.89 0.00 -0.33 3.23 2.13 -1.26 -1.03 120.64 124.27 1o8r n GLU 13 Ca 0.16 0.30 0.25 0.00 0.66 0.00 0.00 57.16 58.54 1o8r n GLU 13 Cb 0.50 -0.97 0.48 0.00 0.27 0.00 0.00 31.44 31.72 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 0.30 0.05 4.31 0.02 -1.96 0.17 113.55 116.43 1o8r h SER 14 Ca 0.00 0.23 -0.00 0.00 -0.84 0.00 0.00 61.79 61.17 1o8r h SER 14 Cb 0.00 0.23 0.00 0.00 0.14 0.00 0.00 62.40 62.77 1o8r h SER 14 CO 0.00 -0.27 -0.02 0.58 -1.14 0.00 0.00 176.83 175.98 1o8r h VAL 15 N 0.16 1.25 -0.74 2.27 2.07 -1.78 0.92 116.25 120.41 1o8r h VAL 15 Ca 0.75 -1.03 0.17 0.00 0.82 0.00 0.00 66.70 67.40 1o8r h VAL 15 Cb 1.79 1.92 -0.12 0.00 -1.52 0.00 0.00 31.29 33.36 1o8r h VAL 15 CO -0.70 0.26 0.11 0.50 0.02 0.00 0.00 177.57 177.76 1o8r h LYS 16 N -0.53 0.19 0.15 1.57 3.64 0.10 -1.91 116.57 119.78 1o8r h LYS 16 Ca -0.01 -0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.35 1o8r h LYS 16 Cb 0.47 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 32.25 1o8r h LYS 16 CO 0.01 0.12 -0.07 0.87 -2.27 0.00 0.00 179.45 178.11 1o8r h LYS 17 N 0.19 -0.20 -0.39 1.90 1.57 -1.14 -3.26 116.57 115.24 1o8r h LYS 17 Ca 0.42 0.01 0.15 0.00 -1.87 0.00 0.00 60.65 59.36 1o8r h LYS 17 Cb 0.73 0.04 -0.07 0.00 0.08 0.00 0.00 32.23 33.01 1o8r h LYS 17 CO -0.57 0.22 0.16 -0.11 -0.57 0.00 0.00 179.45 178.59 1o8r n LEU 18 N -4.90 0.09 -0.23 2.94 7.94 0.32 0.27 117.00 123.44 1o8r n LEU 18 Ca -0.07 0.66 0.03 0.00 -1.11 0.00 0.00 56.01 55.51 1o8r n LEU 18 Cb 0.25 -0.30 0.14 0.00 0.53 0.00 0.00 43.42 44.05 1o8r n LEU 18 CO 0.23 -0.72 0.97 0.11 -1.11 0.00 0.00 177.39 176.87 1o8r h LYS 19 N 0.00 0.34 -0.01 1.96 1.57 -1.50 -2.71 116.57 116.22 1o8r h LYS 19 Ca 0.31 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 59.07 1o8r h LYS 19 Cb 0.79 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 33.02 1o8r h LYS 19 CO -0.32 0.23 -0.11 -0.40 -0.57 0.00 0.00 179.45 178.27 1o8r n ASP 20 N -5.06 1.29 -2.54 0.86 5.68 0.77 -5.08 116.55 112.46 1o8r n ASP 20 Ca 0.11 -1.14 -0.01 0.00 -0.50 0.00 0.00 54.79 53.25 1o8r n ASP 20 Cb 0.36 0.31 -0.01 0.00 -1.14 0.00 0.00 41.12 40.65 1o8r n ASP 20 CO 0.00 0.00 0.00 -0.11 -1.33 0.00 0.00 177.20 175.76 1o8r n LEU 21 N -0.04 -3.63 -4.54 -2.12 -0.00 0.32 -5.01 117.00 101.99 1o8r n LEU 21 Ca 0.04 1.47 -0.26 0.00 -0.00 0.00 0.00 56.01 57.26 1o8r n LEU 21 Cb 0.18 -2.05 -0.11 0.00 -0.00 0.00 0.00 43.42 41.45 1o8r n LEU 21 CO 0.09 -2.60 -0.37 -1.10 -0.00 0.00 0.00 177.39 173.41 1o8r s GLN 22 N -0.19 1.80 1.01 1.96 -0.21 -1.26 -4.99 119.66 117.78 1o8r s GLN 22 Ca -0.05 -1.94 -0.22 0.00 0.02 0.00 0.00 55.36 53.17 1o8r s GLN 22 Cb 0.00 -1.60 -0.12 0.00 1.00 0.00 0.00 33.01 32.29 1o8r s GLN 22 CO 0.13 0.09 -0.95 0.39 -2.12 0.00 0.00 175.29 172.82 1o8r n GLU 23 N -0.79 -0.23 -0.60 2.91 4.71 -1.26 -4.47 120.64 120.91 1o8r n GLU 23 Ca -0.05 -0.06 -0.44 0.00 -0.01 0.00 0.00 57.16 56.60 1o8r n GLU 23 Cb 0.64 -1.16 -0.11 0.00 -1.01 0.00 0.00 31.44 29.79 1o8r n GLU 23 CO 0.00 0.00 0.00 -2.30 0.09 0.00 0.00 177.13 174.92 1o8r n PRO 24 N 1.56 0.13 -0.11 3.49 -0.01 -1.26 -4.57 135.00 134.23 1o8r n PRO 24 Ca -0.01 -1.10 0.02 0.00 -0.01 0.00 0.00 63.50 62.40 1o8r n PRO 24 Cb 0.66 -2.59 0.07 0.00 -0.01 0.00 0.00 33.50 31.63 1o8r n PRO 24 CO 0.00 0.00 0.00 1.04 -0.01 0.00 0.00 175.50 176.53 1o8r n GLN 25 N 7.93 1.49 -0.17 -0.52 6.02 -1.26 -4.26 117.38 126.61 1o8r n GLN 25 Ca 0.47 -0.60 -0.02 0.00 -0.01 0.00 0.00 57.00 56.83 1o8r n GLN 25 Cb 0.42 -1.27 0.04 0.00 1.02 0.00 0.00 30.24 30.46 1o8r n GLN 25 CO 0.00 0.00 0.00 0.93 -1.01 0.00 0.00 177.06 176.98 1o8r h GLU 26 N 0.91 0.01 0.00 -1.09 4.39 -1.95 0.47 114.58 117.32 1o8r h GLU 26 Ca 0.00 -0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1o8r h GLU 26 Cb 0.37 -0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.02 1o8r h GLU 26 CO 0.03 0.00 0.03 -2.30 -1.16 0.00 0.00 179.01 175.61 1o8r n PRO 27 N -5.37 0.11 -4.34 2.33 -0.01 -1.26 -4.35 135.00 122.11 1o8r n PRO 27 Ca 0.05 0.61 -0.29 0.00 -0.01 0.00 0.00 63.50 63.86 1o8r n PRO 27 Cb 0.28 -1.89 -0.17 0.00 -0.01 0.00 0.00 33.50 31.71 1o8r n PRO 27 CO 0.00 0.00 0.00 0.50 -0.01 0.00 0.00 175.50 175.99 1o8r s ARG 28 N -3.43 2.27 -0.04 -0.52 3.52 0.17 -5.12 118.95 115.79 1o8r s ARG 28 Ca -0.02 -0.57 0.06 0.00 -0.13 0.00 0.00 55.73 55.07 1o8r s ARG 28 Cb 0.05 -1.97 -0.01 0.00 -1.56 0.00 0.00 34.95 31.46 1o8r s ARG 28 CO 0.16 -0.11 -0.22 0.08 -0.81 0.00 0.00 175.30 174.39 1o8r s VAL 29 N 1.13 1.82 0.47 7.11 1.01 -1.26 -4.85 120.40 125.82 1o8r s VAL 29 Ca -0.03 -0.94 -0.19 0.00 0.00 0.00 0.00 61.98 60.81 1o8r s VAL 29 Cb -0.14 -1.54 -0.09 0.00 0.00 0.00 0.00 36.38 34.61 1o8r s VAL 29 CO -0.04 0.51 0.97 -0.83 0.00 0.00 0.00 175.10 175.71 1o8r s GLY 30 N -0.18 2.24 0.38 4.51 0.00 -1.26 -4.94 107.32 108.07 1o8r s GLY 30 Ca -0.01 0.31 0.06 0.00 0.00 0.00 0.00 44.72 45.08 1o8r s GLY 30 CO 0.02 0.58 2.00 0.50 0.00 0.00 0.00 173.10 176.21 1o8r h LYS 31 N 1.44 0.68 -5.47 2.90 1.57 -2.07 -3.40 116.57 112.22 1o8r h LYS 31 Ca -0.48 -0.04 -0.66 0.00 -1.87 0.00 0.00 60.65 57.60 1o8r h LYS 31 Cb 1.18 -0.15 -0.26 0.00 0.08 0.00 0.00 32.23 33.08 1o8r h LYS 31 CO 0.61 0.45 -0.76 -1.17 -0.57 0.00 0.00 179.45 178.01 1o8r s LEU 32 N -9.62 2.73 -0.55 2.94 2.96 -1.26 -5.03 118.68 110.85 1o8r s LEU 32 Ca -0.09 -0.30 0.04 0.00 -0.22 0.00 0.00 54.13 53.56 1o8r s LEU 32 Cb 0.18 -1.60 0.38 0.00 0.50 0.00 0.00 46.19 45.65 1o8r s LEU 32 CO 0.76 0.19 1.14 -2.11 -1.32 0.00 0.00 176.35 175.01 1o8r n ARG 33 N 3.34 3.41 0.00 1.98 1.85 -1.26 -4.64 116.66 121.34 1o8r n ARG 33 Ca -0.18 -4.59 0.00 0.00 -1.00 0.00 0.00 57.85 52.08 1o8r n ARG 33 Cb 0.53 -2.26 0.00 0.00 -1.05 0.00 0.00 32.46 29.68 1o8r n ARG 33 CO 0.00 0.00 0.00 0.27 -0.01 0.00 0.00 177.63 177.89 1o8r n ASN 34 N -0.38 0.87 0.00 2.89 6.94 -1.26 -4.61 115.26 119.71 1o8r n ASN 34 Ca 0.37 -1.16 0.08 0.00 -0.02 0.00 0.00 54.58 53.86 1o8r n ASN 34 Cb 0.51 0.00 0.39 0.00 -2.36 0.00 0.00 39.78 38.33 1o8r n ASN 34 CO 0.00 0.00 0.00 0.49 -1.03 0.00 0.00 177.26 176.72 1o8r n PHE 35 N -0.08 0.00 -1.89 -2.53 3.72 -1.26 -4.79 117.46 110.62 1o8r n PHE 35 Ca 0.00 0.00 -0.36 0.00 -0.05 0.00 0.00 57.45 57.04 1o8r n PHE 35 Cb 0.13 -0.38 0.05 0.00 -0.94 0.00 0.00 39.48 38.34 1o8r n PHE 35 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1o8r s ALA 36 N -2.75 2.47 0.80 4.37 0.00 -1.26 -5.01 121.76 120.37 1o8r s ALA 36 Ca 0.13 1.08 0.00 0.00 0.00 0.00 0.00 51.96 53.17 1o8r s ALA 36 Cb 0.11 -3.49 0.00 0.00 0.00 0.00 0.00 23.12 19.74 1o8r s ALA 36 CO 0.27 -1.35 0.00 -2.30 0.00 0.00 0.00 175.76 172.38 1o8r n PRO 37 N -1.75 2.28 -4.46 0.00 -0.02 -1.26 -4.86 135.00 124.93 1o8r n PRO 37 Ca 0.14 0.00 -0.23 0.00 -2.02 0.00 0.00 63.50 61.39 1o8r n PRO 37 Cb 0.49 0.00 -0.10 0.00 -0.02 0.00 0.00 33.50 33.87 1o8r n PRO 37 CO 0.00 0.00 0.00 0.96 1.98 0.00 0.00 175.50 178.44 1o8r s ILE 38 N 0.00 2.25 0.79 4.25 -0.00 -1.26 -4.79 121.20 122.44 1o8r s ILE 38 Ca 0.00 -2.32 -0.14 0.00 -0.00 0.00 0.00 60.65 58.20 1o8r s ILE 38 Cb 0.00 -2.33 0.07 0.00 -0.00 0.00 0.00 42.46 40.20 1o8r s ILE 38 CO 0.00 -0.39 1.20 -2.16 -0.00 0.00 0.00 174.94 173.59 1o8r s PRO 39 N -3.57 1.79 0.00 0.37 0.05 -1.26 -4.66 135.00 127.73 1o8r s PRO 39 Ca 0.29 1.72 0.00 0.00 0.05 0.00 0.00 61.00 63.06 1o8r s PRO 39 Cb -0.02 -1.80 0.00 0.00 0.05 0.00 0.00 34.50 32.73 1o8r s PRO 39 CO 0.14 -2.09 0.00 0.41 0.05 0.00 0.00 177.00 175.51 1o8r n GLY 40 N 0.36 -0.95 2.39 0.56 0.00 -1.26 -5.03 105.19 101.25 1o8r n GLY 40 Ca 0.13 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.95 1o8r n GLY 40 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1o8r n GLU 41 N 0.00 1.57 -1.88 1.61 2.13 -1.26 -5.10 120.64 117.71 1o8r n GLU 41 Ca 0.00 -3.77 -0.41 0.00 0.66 0.00 0.00 57.16 53.64 1o8r n GLU 41 Cb 0.00 -1.84 -0.01 0.00 0.27 0.00 0.00 31.44 29.87 1o8r n GLU 41 CO 0.00 0.00 0.00 -2.14 -0.41 0.00 0.00 177.13 174.58 1o8r s PRO 42 N -2.66 4.17 -0.07 5.31 0.02 -1.26 -5.02 135.00 135.50 1o8r s PRO 42 Ca 0.42 2.48 -0.03 0.00 0.02 0.00 0.00 61.00 63.89 1o8r s PRO 42 Cb 0.32 -3.00 0.04 0.00 0.02 0.00 0.00 34.50 31.88 1o8r s PRO 42 CO -0.10 -0.46 0.12 0.14 -0.33 0.00 0.00 177.00 176.37 1o8r s VAL 43 N -0.99 -0.20 -0.40 3.83 -7.23 -1.26 -5.05 120.40 109.10 1o8r s VAL 43 Ca 0.53 0.37 0.09 0.00 -1.81 0.00 0.00 61.98 61.16 1o8r s VAL 43 Cb -0.45 -0.24 0.31 0.00 0.56 0.00 0.00 36.38 36.56 1o8r s VAL 43 CO 0.59 0.15 0.77 0.52 -0.31 0.00 0.00 175.10 176.81 1o8r n VAL 44 N 5.31 -0.25 -0.05 1.32 0.31 -1.26 -4.28 118.33 119.43 1o8r n VAL 44 Ca -0.04 -3.58 0.00 0.00 -0.01 0.00 0.00 64.34 60.71 1o8r n VAL 44 Cb 0.50 -0.18 0.00 0.00 -0.91 0.00 0.00 33.84 33.25 1o8r n VAL 44 CO 0.00 0.00 0.00 -0.81 -1.32 0.00 0.00 176.83 174.70 1o8r n PRO 45 N 0.70 -1.68 0.22 5.55 -0.04 -1.26 -4.79 135.00 133.71 1o8r n PRO 45 Ca 0.19 0.00 0.06 0.00 -0.04 0.00 0.00 63.50 63.71 1o8r n PRO 45 Cb 0.63 0.00 0.54 0.00 -0.04 0.00 0.00 33.50 34.63 1o8r n PRO 45 CO 0.00 0.00 0.00 0.82 -0.04 0.00 0.00 175.50 176.28 1o8r h ILE 46 N -1.87 1.09 -1.71 0.52 2.04 -2.00 -3.23 117.51 112.35 1o8r h ILE 46 Ca 0.00 -0.42 -0.47 0.00 1.00 0.00 0.00 64.86 64.96 1o8r h ILE 46 Cb 0.00 1.20 -0.41 0.00 -0.74 0.00 0.00 36.82 36.87 1o8r h ILE 46 CO 0.00 0.12 -1.06 0.00 0.00 0.00 0.00 178.15 177.21 1o8r n LEU 47 N -4.39 1.98 -1.80 1.44 -0.00 -1.26 -5.02 117.00 107.95 1o8r n LEU 47 Ca -0.02 -4.77 0.00 0.00 -0.00 0.00 0.00 56.01 51.22 1o8r n LEU 47 Cb 0.19 0.31 0.00 0.00 -0.00 0.00 0.00 43.42 43.93 1o8r n LEU 47 CO 0.36 2.09 -0.42 0.00 -0.00 0.00 0.00 177.39 179.41 1o8r h SER 49 N 2.55 -0.36 -3.40 0.00 0.87 -1.87 -3.42 113.55 107.92 1o8r h SER 49 Ca 0.00 -0.18 -0.57 0.00 -1.23 0.00 0.00 61.79 59.82 1o8r h SER 49 Cb 0.00 0.09 -0.06 0.00 -0.44 0.00 0.00 62.40 61.99 1o8r h SER 49 CO 0.00 0.07 0.94 0.20 -0.53 0.00 0.00 176.83 177.51 1o8r s ASN 50 N -5.11 6.68 0.17 6.23 0.02 -1.26 -4.86 114.94 116.81 1o8r s ASN 50 Ca -0.13 0.86 0.14 0.00 -1.02 0.00 0.00 52.86 52.72 1o8r s ASN 50 Cb 0.01 -2.54 0.70 0.00 0.02 0.00 0.00 41.25 39.44 1o8r s ASN 50 CO 0.46 -1.13 1.43 -2.65 0.02 0.00 0.00 177.10 175.22 1o8r n PRO 51 N 7.48 0.09 -1.84 -0.60 -0.02 -1.26 -1.97 135.00 136.87 1o8r n PRO 51 Ca 0.13 0.52 -0.08 0.00 -2.02 0.00 0.00 63.50 62.06 1o8r n PRO 51 Cb 0.48 -1.75 0.07 0.00 -0.02 0.00 0.00 33.50 32.28 1o8r n PRO 51 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 1o8r n ASN 52 N -1.92 2.84 -4.06 2.55 5.03 -1.26 -5.04 115.26 113.39 1o8r n ASN 52 Ca 0.00 -3.11 -0.30 0.00 0.87 0.00 0.00 54.58 52.04 1o8r n ASN 52 Cb 0.06 -0.41 0.20 0.00 -1.02 0.00 0.00 39.78 38.61 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 -3.07 1.45 -0.50 3.10 -0.71 -0.83 -4.80 117.98 112.62 1o8r s PHE 53 Ca 0.40 0.26 -0.24 0.00 -1.04 0.00 0.00 56.93 56.31 1o8r s PHE 53 Cb 0.38 -4.18 -0.25 0.00 -1.21 0.00 0.00 43.02 37.76 1o8r s PHE 53 CO -0.03 -2.73 1.69 -2.30 -1.34 0.00 0.00 175.22 170.51 1o8r n PRO 54 N -3.81 0.04 -0.46 1.99 -0.01 -1.26 -4.67 135.00 126.83 1o8r n PRO 54 Ca 0.16 -1.15 0.37 0.00 -0.01 0.00 0.00 63.50 62.87 1o8r n PRO 54 Cb 0.59 -2.91 0.67 0.00 -0.01 0.00 0.00 33.50 31.84 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 10.46 0.10 0.00 -0.52 4.81 -1.96 2.42 114.58 129.89 1o8r h GLU 55 Ca 0.10 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.32 1o8r h GLU 55 Cb 0.85 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 30.21 1o8r h GLU 55 CO 1.35 0.07 0.27 0.93 -0.73 0.00 0.00 179.01 180.89 1o8r h GLU 56 N 0.10 0.00 -0.66 1.92 4.39 -1.99 1.55 114.58 119.89 1o8r h GLU 56 Ca 0.77 0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.47 1o8r h GLU 56 Cb 2.59 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 31.24 1o8r h GLU 56 CO -0.28 0.00 0.00 1.28 -1.16 0.00 0.00 179.01 178.85 1o8r n LEU 57 N -2.70 4.45 -0.29 1.33 4.32 0.81 -4.54 117.00 120.38 1o8r n LEU 57 Ca -0.02 -2.26 0.02 0.00 -0.02 0.00 0.00 56.01 53.73 1o8r n LEU 57 Cb 0.31 -0.61 0.09 0.00 -1.62 0.00 0.00 43.42 41.58 1o8r n LEU 57 CO 0.12 0.57 0.67 0.50 -1.22 0.00 0.00 177.39 178.04 1o8r h LYS 58 N 3.12 -0.02 -0.31 3.23 3.11 0.21 0.25 116.57 126.17 1o8r h LYS 58 Ca 0.00 0.00 0.05 0.00 -2.81 0.00 0.00 60.65 57.89 1o8r h LYS 58 Cb 1.53 0.00 -0.05 0.00 -1.00 0.00 0.00 32.23 32.72 1o8r h LYS 58 CO 0.33 -0.01 0.00 -1.35 -2.81 0.00 0.00 179.45 175.61 1o8r h PRO 59 N -0.02 0.09 -0.63 1.90 0.10 -1.82 -1.60 132.00 130.01 1o8r h PRO 59 Ca 0.37 -0.01 0.13 0.00 0.10 0.00 0.00 66.00 66.60 1o8r h PRO 59 Cb 0.60 -0.02 -0.11 0.00 0.10 0.00 0.00 31.00 31.57 1o8r h PRO 59 CO -0.85 0.06 -0.08 1.25 0.10 0.00 0.00 178.00 178.47 1o8r h LEU 60 N 0.09 -0.44 -2.15 2.35 6.46 -0.86 0.78 115.31 121.54 1o8r h LEU 60 Ca 0.15 0.18 -0.01 0.00 -0.12 0.00 0.00 57.88 58.07 1o8r h LEU 60 Cb 0.19 0.34 -0.00 0.00 -0.73 0.00 0.00 40.66 40.46 1o8r h LEU 60 CO -0.25 -0.17 -0.07 0.00 -0.62 0.00 0.00 178.44 177.33 1o8r n LYS 62 N -3.58 1.83 -4.59 0.00 4.81 0.26 -4.76 118.16 112.13 1o8r n LYS 62 Ca -0.02 -1.26 -0.24 0.00 -0.87 0.00 0.00 58.31 55.92 1o8r n LYS 62 Cb 0.18 -1.38 -0.14 0.00 0.02 0.00 0.00 35.03 33.71 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 -1.70 1.29 0.23 1.64 -1.05 -0.46 -5.00 118.70 113.65 1o8r s GLU 63 Ca 0.31 -0.88 0.17 0.00 -0.15 0.00 0.00 54.97 54.42 1o8r s GLU 63 Cb 0.17 -1.37 0.88 0.00 -0.44 0.00 0.00 34.13 33.37 1o8r s GLU 63 CO 0.25 0.35 1.52 -2.30 0.95 0.00 0.00 175.26 176.03 1o8r n PRO 64 N 1.91 0.11 0.18 -4.83 -0.02 -1.26 -1.37 135.00 129.72 1o8r n PRO 64 Ca -0.17 0.57 0.07 0.00 -2.02 0.00 0.00 63.50 61.95 1o8r n PRO 64 Cb 0.54 -1.84 0.10 0.00 -0.02 0.00 0.00 33.50 32.28 1o8r n PRO 64 CO 0.00 0.00 0.00 -0.91 1.98 0.00 0.00 175.50 176.57 1o8r h ASN 65 N 0.00 0.00 -1.00 2.55 2.35 -1.95 -3.28 115.58 114.25 1o8r h ASN 65 Ca 0.00 0.00 0.29 0.00 -0.55 0.00 0.00 56.30 56.04 1o8r h ASN 65 Cb 0.05 0.00 -0.14 0.00 0.05 0.00 0.00 38.32 38.28 1o8r h ASN 65 CO 0.00 0.26 0.58 0.00 -1.65 0.00 0.00 177.43 176.62 1o8r h ALA 66 N 1.74 1.89 -0.59 -0.83 0.00 -1.27 1.34 119.26 121.53 1o8r h ALA 66 Ca -0.00 0.16 -0.03 0.00 0.00 0.00 0.00 54.91 55.04 1o8r h ALA 66 Cb 1.19 0.10 -0.03 0.00 0.00 0.00 0.00 17.79 19.05 1o8r h ALA 66 CO 0.03 -0.45 0.24 1.96 0.00 0.00 0.00 179.25 181.03 1o8r h GLN 67 N 0.42 0.86 0.23 0.00 4.20 -1.78 1.20 115.11 120.24 1o8r h GLN 67 Ca 0.70 -0.13 -0.33 0.00 0.06 0.00 0.00 58.65 58.95 1o8r h GLN 67 Cb 1.49 -0.15 0.03 0.00 0.30 0.00 0.00 27.48 29.15 1o8r h GLN 67 CO -0.56 0.70 -1.46 0.93 -0.67 0.00 0.00 178.83 177.77 1o8r h GLU 68 N 0.85 0.48 -0.12 1.46 5.08 0.11 -3.33 114.58 119.10 1o8r h GLU 68 Ca 0.20 -0.82 -0.07 0.00 -1.00 0.00 0.00 59.36 57.68 1o8r h GLU 68 Cb 0.16 0.30 -0.00 0.00 0.50 0.00 0.00 28.75 29.71 1o8r h GLU 68 CO -0.02 1.39 -0.19 0.82 -1.00 0.00 0.00 179.01 180.00 1o8r h ILE 69 N 0.13 1.37 -0.10 3.13 2.04 0.12 -3.26 117.51 120.95 1o8r h ILE 69 Ca -0.24 -1.44 0.01 0.00 1.00 0.00 0.00 64.86 64.19 1o8r h ILE 69 Cb 2.13 2.02 -0.01 0.00 -0.74 0.00 0.00 36.82 40.22 1o8r h ILE 69 CO 0.26 0.42 -0.06 0.25 0.00 0.00 0.00 178.15 179.01 1o8r h LEU 70 N -0.07 -0.23 -0.83 1.44 7.12 0.13 0.16 115.31 123.04 1o8r h LEU 70 Ca 0.01 0.03 0.15 0.00 0.13 0.00 0.00 57.88 58.20 1o8r h LEU 70 Cb 0.76 0.10 -0.15 0.00 -0.53 0.00 0.00 40.66 40.85 1o8r h LEU 70 CO 0.04 -0.03 -0.30 1.56 -0.13 0.00 0.00 178.44 179.59 1o8r h GLN 71 N -0.00 -0.04 0.32 1.25 4.20 -1.68 -0.05 115.11 119.10 1o8r h GLN 71 Ca 0.02 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.73 1o8r h GLN 71 Cb 0.05 0.01 -0.03 0.00 0.30 0.00 0.00 27.48 27.80 1o8r h GLN 71 CO -0.10 -0.03 -0.48 0.00 -0.67 0.00 0.00 178.83 177.56 1o8r h ARG 72 N -0.05 -0.82 -0.46 1.46 3.08 -1.02 -0.37 114.38 116.21 1o8r h ARG 72 Ca 0.34 0.06 0.09 0.00 0.07 0.00 0.00 59.98 60.54 1o8r h ARG 72 Cb 0.60 0.19 -0.10 0.00 0.08 0.00 0.00 29.97 30.74 1o8r h ARG 72 CO -0.86 -0.55 -0.32 -0.07 -1.07 0.00 0.00 179.97 177.10 1o8r h LEU 73 N -0.85 -1.08 -0.65 3.04 3.38 0.78 0.61 115.31 120.54 1o8r h LEU 73 Ca -0.03 0.20 0.12 0.00 0.09 0.00 0.00 57.88 58.26 1o8r h LEU 73 Cb 0.79 0.52 -0.09 0.00 0.09 0.00 0.00 40.66 41.97 1o8r h LEU 73 CO -0.16 -0.31 0.20 -0.33 0.09 0.00 0.00 178.44 177.94 1o8r h GLU 74 N -0.21 0.34 0.00 1.13 5.08 -0.64 0.24 114.58 120.51 1o8r h GLU 74 Ca 0.19 -0.02 0.02 0.00 -1.00 0.00 0.00 59.36 58.55 1o8r h GLU 74 Cb 0.54 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.69 1o8r h GLU 74 CO -0.58 0.23 -0.09 1.49 -1.00 0.00 0.00 179.01 179.05 1o8r h GLU 75 N 0.35 -0.16 -0.85 2.33 4.81 0.81 -1.85 114.58 120.03 1o8r h GLU 75 Ca 0.34 0.01 -0.00 0.00 -0.13 0.00 0.00 59.36 59.58 1o8r h GLU 75 Cb 0.49 0.04 -0.04 0.00 0.63 0.00 0.00 28.75 29.87 1o8r h GLU 75 CO -0.38 -0.11 0.52 0.82 -0.73 0.00 0.00 179.01 179.14 1o8r h ILE 76 N -0.16 1.23 -0.93 2.32 1.08 -0.21 -1.64 117.51 119.20 1o8r h ILE 76 Ca 0.04 -0.49 0.13 0.00 -0.39 0.00 0.00 64.86 64.15 1o8r h ILE 76 Cb 0.21 0.02 -0.08 0.00 -3.07 0.00 0.00 36.82 33.91 1o8r h ILE 76 CO -0.09 0.24 0.60 0.00 -0.69 0.00 0.00 178.15 178.20 1o8r h ALA 77 N 1.41 1.68 -1.38 1.87 0.00 0.22 0.58 119.26 123.64 1o8r h ALA 77 Ca 0.31 0.02 0.42 0.00 0.00 0.00 0.00 54.91 55.65 1o8r h ALA 77 Cb -0.07 -0.17 -0.10 0.00 0.00 0.00 0.00 17.79 17.46 1o8r h ALA 77 CO -0.06 0.08 0.94 1.49 0.00 0.00 0.00 179.25 181.70 1o8r h GLU 78 N 0.83 0.10 -0.74 0.00 4.81 -0.63 -3.40 114.58 115.54 1o8r h GLU 78 Ca 0.46 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.69 1o8r h GLU 78 Cb 0.59 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.95 1o8r h GLU 78 CO -0.23 0.06 0.00 -3.47 -0.73 0.00 0.00 179.01 174.65 1o8r n ASP 79 N -4.42 -0.50 -0.05 1.04 2.03 0.20 -4.35 116.55 110.50 1o8r n ASP 79 Ca 0.34 0.00 0.02 0.00 0.52 0.00 0.00 54.79 55.67 1o8r n ASP 79 Cb 1.42 -0.25 0.35 0.00 -0.72 0.00 0.00 41.12 41.93 1o8r n ASP 79 CO 0.00 0.00 0.00 -0.65 -1.92 0.00 0.00 177.20 174.63 1o8r h PRO 80 N 0.00 0.64 0.00 -0.67 0.10 -1.83 -3.46 132.00 126.79 1o8r h PRO 80 Ca 0.00 -0.06 0.00 0.00 0.10 0.00 0.00 66.00 66.04 1o8r h PRO 80 Cb 0.17 -0.14 0.00 0.00 0.10 0.00 0.00 31.00 31.14 1o8r h PRO 80 CO 0.00 0.47 0.00 0.41 0.10 0.00 0.00 178.00 178.98 1o8r n GLY 81 N -1.33 2.91 0.20 -0.55 0.00 -1.26 -4.77 105.19 100.39 1o8r n GLY 81 Ca 0.04 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.88 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 1.30 -0.92 2.61 1.35 -1.96 -2.65 112.91 112.63 1o8r h THR 82 Ca 0.00 -2.04 0.03 0.00 -0.55 0.00 0.00 66.41 63.86 1o8r h THR 82 Cb 0.00 2.16 -0.05 0.00 -1.73 0.00 0.00 68.15 68.53 1o8r h THR 82 CO 0.00 0.63 0.60 0.00 -0.25 0.00 0.00 175.52 176.50 1o8r h GLU 84 N 1.17 0.39 -0.56 0.00 5.08 -1.92 -1.85 114.58 116.88 1o8r h GLU 84 Ca 0.36 -0.09 0.00 0.00 -1.00 0.00 0.00 59.36 58.63 1o8r h GLU 84 Cb -0.01 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.19 1o8r h GLU 84 CO -0.12 0.48 0.00 0.44 -1.00 0.00 0.00 179.01 178.82 1o8r n ILE 85 N -4.27 0.89 -1.09 3.13 -5.35 -0.40 -4.89 119.36 107.39 1o8r n ILE 85 Ca 0.00 -0.76 -0.03 0.00 -0.27 0.00 0.00 62.75 61.69 1o8r n ILE 85 Cb 0.27 0.27 -0.01 0.00 -1.74 0.00 0.00 39.64 38.42 1o8r n ILE 85 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1o8r h ALA 87 N 0.00 1.67 -1.94 0.00 0.00 -0.26 -3.43 119.26 115.30 1o8r h ALA 87 Ca -0.06 -0.03 -0.56 0.00 0.00 0.00 0.00 54.91 54.26 1o8r h ALA 87 Cb 0.66 -0.20 -0.14 0.00 0.00 0.00 0.00 17.79 18.11 1o8r h ALA 87 CO 0.09 0.25 -0.65 -0.47 0.00 0.00 0.00 179.25 178.47 1o8r s TYR 88 N -5.65 2.21 -1.27 0.00 5.04 -1.24 -4.98 117.35 111.46 1o8r s TYR 88 Ca -0.09 -0.67 0.18 0.00 -2.44 0.00 0.00 57.07 54.04 1o8r s TYR 88 Cb 0.18 -1.37 0.85 0.00 0.35 0.00 0.00 41.96 41.98 1o8r s TYR 88 CO 0.76 0.36 1.55 0.00 -1.34 0.00 0.00 175.55 176.88 1o8r n ALA 89 N -0.75 1.91 -0.29 3.97 0.00 -1.26 -3.37 120.51 120.72 1o8r n ALA 89 Ca -0.05 -0.08 0.16 0.00 0.00 0.00 0.00 53.44 53.48 1o8r n ALA 89 Cb 0.65 -1.29 0.43 0.00 0.00 0.00 0.00 19.45 19.23 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 2.76 1.97 -2.91 0.00 0.00 -1.92 -3.38 119.26 115.77 1o8r h ALA 90 Ca 0.00 0.04 -0.65 0.00 0.00 0.00 0.00 54.91 54.30 1o8r h ALA 90 Cb 0.22 -0.06 -0.21 0.00 0.00 0.00 0.00 17.79 17.74 1o8r h ALA 90 CO 0.00 -0.29 -0.58 0.00 0.00 0.00 0.00 179.25 178.38 1o8r s THR 92 N 1.65 2.19 0.00 0.00 -4.23 -0.83 -4.48 115.64 109.94 1o8r s THR 92 Ca 0.06 -0.91 0.00 0.00 -1.18 0.00 0.00 61.69 59.66 1o8r s THR 92 Cb -0.16 -2.29 0.00 0.00 1.34 0.00 0.00 72.50 71.40 1o8r s THR 92 CO 0.06 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.75 1o8r n GLY 93 N -2.35 1.32 0.19 3.99 0.00 -1.26 -3.79 105.19 103.28 1o8r n GLY 93 Ca 0.15 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.19 1o8r n GLY 93 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32