#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 2.65 -0.17 1.55 2.01 -1.20 -4.91 115.64 115.56 1o8r s THR 2 Ca 0.00 -1.92 -0.27 0.00 0.31 0.00 0.00 61.69 59.81 1o8r s THR 2 Cb 0.00 -2.29 -0.01 0.00 0.01 0.00 0.00 72.50 70.21 1o8r s THR 2 CO 0.00 -0.12 0.92 -0.69 -0.69 0.00 0.00 174.62 174.04 1o8r s VAL 3 N -1.71 4.81 -0.20 3.82 1.01 -0.19 -1.84 120.40 126.10 1o8r s VAL 3 Ca 0.22 1.83 -0.03 0.00 0.00 0.00 0.00 61.98 64.01 1o8r s VAL 3 Cb -0.08 -4.22 -0.01 0.00 0.00 0.00 0.00 36.38 32.07 1o8r s VAL 3 CO 0.12 -0.03 -0.08 -1.58 0.00 0.00 0.00 175.10 173.54 1o8r s GLN 4 N 2.36 3.35 -0.08 2.72 0.74 -0.84 0.10 119.66 128.01 1o8r s GLN 4 Ca 0.42 -0.65 0.20 0.00 0.05 0.00 0.00 55.36 55.38 1o8r s GLN 4 Cb -0.17 -2.89 0.72 0.00 1.10 0.00 0.00 33.01 31.77 1o8r s GLN 4 CO 0.12 -0.10 1.62 -0.25 -0.55 0.00 0.00 175.29 176.13 1o8r n ASP 5 N 4.48 4.60 0.00 6.67 8.00 -1.25 -4.76 116.55 134.30 1o8r n ASP 5 Ca -0.18 -2.33 0.00 0.00 0.71 0.00 0.00 54.79 52.99 1o8r n ASP 5 Cb 0.51 -0.56 0.00 0.00 -0.02 0.00 0.00 41.12 41.05 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 1.32 -0.66 1.02 0.44 0.00 -1.26 -4.94 105.19 101.10 1o8r n GLY 6 Ca 0.26 0.12 0.05 0.00 0.00 0.00 0.00 46.02 46.45 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 2.90 -3.99 1.61 3.02 -1.26 -4.80 115.26 112.73 1o8r n ASN 7 Ca 0.00 -2.27 -0.24 0.00 -0.03 0.00 0.00 54.58 52.03 1o8r n ASN 7 Cb 0.00 -0.45 -0.17 0.00 -0.61 0.00 0.00 39.78 38.56 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 -1.73 1.38 -0.15 3.10 0.08 -1.26 -5.11 117.98 114.29 1o8r s PHE 8 Ca 0.28 -0.52 -0.29 0.00 0.12 0.00 0.00 56.93 56.51 1o8r s PHE 8 Cb 0.18 -1.04 -0.00 0.00 -0.57 0.00 0.00 43.02 41.59 1o8r s PHE 8 CO 0.13 -0.30 1.02 -1.54 -0.10 0.00 0.00 175.22 174.43 1o8r s SER 9 N 0.83 7.19 -0.15 1.36 1.04 -1.26 -3.76 113.70 118.94 1o8r s SER 9 Ca -0.12 1.48 0.00 0.00 0.48 0.00 0.00 55.95 57.80 1o8r s SER 9 Cb -0.15 -2.55 -0.00 0.00 0.10 0.00 0.00 66.02 63.42 1o8r s SER 9 CO 0.02 -0.53 -0.16 -0.36 0.98 0.00 0.00 173.24 173.19 1o8r s PHE 10 N 2.45 2.77 0.96 5.02 0.08 0.29 -4.94 117.98 124.61 1o8r s PHE 10 Ca 0.47 -1.07 -0.12 0.00 0.12 0.00 0.00 56.93 56.33 1o8r s PHE 10 Cb -0.17 -1.88 0.17 0.00 -0.57 0.00 0.00 43.02 40.56 1o8r s PHE 10 CO 0.14 -0.49 1.09 -1.54 -0.10 0.00 0.00 175.22 174.31 1o8r s SER 11 N 0.82 2.81 0.00 1.36 1.04 -1.26 -1.02 113.70 117.45 1o8r s SER 11 Ca -0.05 1.62 0.10 0.00 0.48 0.00 0.00 55.95 58.09 1o8r s SER 11 Cb -0.15 -2.27 -0.08 0.00 0.10 0.00 0.00 66.02 63.61 1o8r s SER 11 CO -0.00 -3.07 0.46 -0.11 0.98 0.00 0.00 173.24 171.49 1o8r n LEU 12 N -4.18 0.61 0.01 2.42 7.94 -1.26 -4.65 117.00 117.90 1o8r n LEU 12 Ca 0.07 -0.55 -0.01 0.00 -1.11 0.00 0.00 56.01 54.41 1o8r n LEU 12 Cb 0.54 0.00 -0.00 0.00 0.53 0.00 0.00 43.42 44.49 1o8r n LEU 12 CO 0.55 0.14 0.50 -0.08 -1.11 0.00 0.00 177.39 177.39 1o8r h GLU 13 N 0.23 -0.04 -1.03 1.96 4.81 -1.98 0.38 114.58 118.92 1o8r h GLU 13 Ca 0.00 0.00 0.33 0.00 -0.13 0.00 0.00 59.36 59.56 1o8r h GLU 13 Cb 0.25 0.01 -0.15 0.00 0.63 0.00 0.00 28.75 29.49 1o8r h GLU 13 CO 0.00 -0.02 0.59 0.77 -0.73 0.00 0.00 179.01 179.62 1o8r h SER 14 N -0.04 0.49 -0.05 1.04 0.02 -1.95 0.27 113.55 113.33 1o8r h SER 14 Ca -0.00 0.18 -0.01 0.00 -0.84 0.00 0.00 61.79 61.12 1o8r h SER 14 Cb 0.03 0.13 -0.00 0.00 0.14 0.00 0.00 62.40 62.70 1o8r h SER 14 CO 0.01 -0.13 0.01 0.58 -1.14 0.00 0.00 176.83 176.15 1o8r h VAL 15 N 0.31 1.20 -0.18 2.27 2.07 -1.78 0.98 116.25 121.11 1o8r h VAL 15 Ca 0.74 -0.62 0.04 0.00 0.82 0.00 0.00 66.70 67.68 1o8r h VAL 15 Cb 1.74 1.52 -0.04 0.00 -1.52 0.00 0.00 31.29 32.99 1o8r h VAL 15 CO -0.58 0.17 -0.09 0.11 0.02 0.00 0.00 177.57 177.20 1o8r h LYS 16 N -0.15 -0.07 -0.00 1.57 1.57 0.17 0.33 116.57 119.99 1o8r h LYS 16 Ca 0.02 0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.80 1o8r h LYS 16 Cb 0.26 0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.59 1o8r h LYS 16 CO 0.00 -0.05 0.00 1.63 -0.57 0.00 0.00 179.45 180.46 1o8r n LYS 17 N -5.25 1.01 0.21 3.15 5.02 -0.29 -3.76 118.16 118.26 1o8r n LYS 17 Ca -0.02 -0.02 0.17 0.00 -2.02 0.00 0.00 58.31 56.42 1o8r n LYS 17 Cb 0.17 -1.27 0.83 0.00 -0.02 0.00 0.00 35.03 34.73 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 0.03 0.00 -1.32 -0.35 5.85 0.51 -0.48 115.31 119.55 1o8r h LEU 18 Ca 0.00 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.71 1o8r h LEU 18 Cb 0.01 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 41.01 1o8r h LEU 18 CO 0.00 0.00 0.28 0.50 -0.34 0.00 0.00 178.44 178.88 1o8r h LYS 19 N 0.00 0.74 -6.00 1.25 3.64 -1.72 -3.38 116.57 111.11 1o8r h LYS 19 Ca 0.08 -0.08 -0.61 0.00 -1.27 0.00 0.00 60.65 58.77 1o8r h LYS 19 Cb 0.46 -0.15 -0.12 0.00 -0.41 0.00 0.00 32.23 32.02 1o8r h LYS 19 CO -0.00 0.56 0.49 0.34 -2.27 0.00 0.00 179.45 178.57 1o8r s ASP 20 N -6.57 6.46 0.33 4.20 2.15 -0.19 -5.03 116.67 118.02 1o8r s ASP 20 Ca -0.09 0.01 0.07 0.00 0.43 0.00 0.00 52.55 52.97 1o8r s ASP 20 Cb 0.17 -2.42 -0.03 0.00 -0.30 0.00 0.00 42.92 40.34 1o8r s ASP 20 CO 0.77 -1.00 0.30 -0.76 -0.17 0.00 0.00 175.17 174.31 1o8r s LEU 21 N 3.57 3.63 -1.05 -1.34 2.01 -1.26 -4.68 118.68 119.56 1o8r s LEU 21 Ca 0.34 -0.46 -0.04 0.00 0.01 0.00 0.00 54.13 53.98 1o8r s LEU 21 Cb -0.11 -2.26 -0.05 0.00 0.01 0.00 0.00 46.19 43.79 1o8r s LEU 21 CO 0.25 -0.35 0.91 1.67 1.01 0.00 0.00 176.35 179.84 1o8r n GLN 22 N -1.38 -3.50 -4.25 1.70 7.27 -1.26 -5.02 117.38 110.93 1o8r n GLN 22 Ca -0.02 0.83 -0.14 0.00 0.07 0.00 0.00 57.00 57.74 1o8r n GLN 22 Cb 0.60 -5.68 -0.10 0.00 2.41 0.00 0.00 30.24 27.47 1o8r n GLN 22 CO 0.00 0.00 0.00 -1.21 0.07 0.00 0.00 177.06 175.92 1o8r s GLU 23 N -4.64 1.20 0.51 3.69 2.02 -1.26 -5.13 118.70 115.08 1o8r s GLU 23 Ca 0.30 -1.61 -0.23 0.00 0.02 0.00 0.00 54.97 53.45 1o8r s GLU 23 Cb -0.04 -0.13 -0.06 0.00 0.10 0.00 0.00 34.13 34.00 1o8r s GLU 23 CO 0.71 -0.24 1.35 -2.14 0.02 0.00 0.00 175.26 174.96 1o8r s PRO 24 N -4.01 3.37 0.55 0.39 0.02 -1.26 -4.93 135.00 129.14 1o8r s PRO 24 Ca 0.31 2.22 -0.20 0.00 0.02 0.00 0.00 61.00 63.34 1o8r s PRO 24 Cb 0.07 -2.39 -0.06 0.00 0.02 0.00 0.00 34.50 32.14 1o8r s PRO 24 CO 0.08 -1.00 1.08 0.94 -0.33 0.00 0.00 177.00 177.77 1o8r n GLN 25 N -0.72 1.20 -3.41 5.54 7.27 -1.26 -4.95 117.38 121.05 1o8r n GLN 25 Ca 0.08 0.45 -0.26 0.00 0.07 0.00 0.00 57.00 57.34 1o8r n GLN 25 Cb 0.45 -2.26 -0.08 0.00 2.41 0.00 0.00 30.24 30.75 1o8r n GLN 25 CO 0.00 0.00 0.00 -0.85 0.07 0.00 0.00 177.06 176.28 1o8r n GLU 26 N -0.79 1.82 -0.09 3.69 0.00 -1.26 -4.90 120.64 119.10 1o8r n GLU 26 Ca 0.12 -4.17 0.00 0.00 0.00 0.00 0.00 57.16 53.11 1o8r n GLU 26 Cb 0.45 -1.94 0.29 0.00 0.00 0.00 0.00 31.44 30.24 1o8r n GLU 26 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.13 176.13 1o8r h PRO 27 N 4.35 0.73 -2.92 3.44 0.14 -2.05 -3.41 132.00 132.27 1o8r h PRO 27 Ca 0.16 -0.09 -0.23 0.00 0.14 0.00 0.00 66.00 65.98 1o8r h PRO 27 Cb 0.75 -0.14 -0.33 0.00 0.14 0.00 0.00 31.00 31.42 1o8r h PRO 27 CO 0.69 0.58 -0.55 1.03 0.14 0.00 0.00 178.00 179.89 1o8r s ARG 28 N -5.40 0.13 -0.04 0.86 0.52 -1.26 -5.14 118.95 108.60 1o8r s ARG 28 Ca -0.09 0.70 0.03 0.00 -0.52 0.00 0.00 55.73 55.85 1o8r s ARG 28 Cb 0.17 -0.09 0.00 0.00 0.52 0.00 0.00 34.95 35.55 1o8r s ARG 28 CO 0.77 -0.28 -0.13 0.08 0.02 0.00 0.00 175.30 175.75 1o8r s VAL 29 N 2.33 1.15 -2.00 3.52 1.01 -1.26 -5.00 120.40 120.14 1o8r s VAL 29 Ca 0.01 -0.54 0.27 0.00 0.00 0.00 0.00 61.98 61.73 1o8r s VAL 29 Cb -0.12 -1.01 0.41 0.00 0.00 0.00 0.00 36.38 35.66 1o8r s VAL 29 CO -0.08 0.35 1.69 0.61 0.00 0.00 0.00 175.10 177.67 1o8r n GLY 30 N 3.40 -0.46 3.78 4.51 0.00 -1.26 -4.90 105.19 110.26 1o8r n GLY 30 Ca -0.20 -0.39 -0.34 0.00 0.00 0.00 0.00 46.02 45.10 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 -2.31 3.13 0.47 1.61 2.20 -1.26 -4.98 119.74 118.60 1o8r s LYS 31 Ca 0.30 1.43 -0.23 0.00 -0.36 0.00 0.00 55.97 57.12 1o8r s LYS 31 Cb 0.20 -1.99 -0.07 0.00 -1.51 0.00 0.00 37.83 34.46 1o8r s LYS 31 CO 0.44 -0.99 1.20 -0.51 -0.36 0.00 0.00 175.35 175.13 1o8r s LEU 32 N -4.37 3.99 -0.34 5.43 1.43 -1.26 -5.00 118.68 118.56 1o8r s LEU 32 Ca 0.68 2.40 -0.09 0.00 -1.03 0.00 0.00 54.13 56.10 1o8r s LEU 32 Cb -0.21 -4.23 0.02 0.00 0.03 0.00 0.00 46.19 41.81 1o8r s LEU 32 CO 0.35 -1.03 0.14 -0.13 0.23 0.00 0.00 176.35 175.91 1o8r s ARG 33 N -2.71 2.86 0.00 1.70 0.52 -1.26 -5.00 118.95 115.06 1o8r s ARG 33 Ca 0.65 -1.03 0.00 0.00 -0.52 0.00 0.00 55.73 54.82 1o8r s ARG 33 Cb -0.31 -3.56 0.00 0.00 0.52 0.00 0.00 34.95 31.60 1o8r s ARG 33 CO 0.38 -0.61 0.00 0.27 0.02 0.00 0.00 175.30 175.35 1o8r n ASN 34 N 4.91 0.00 -1.74 0.23 0.23 -1.26 -4.90 115.26 112.73 1o8r n ASN 34 Ca -0.13 0.00 -0.19 0.00 -0.53 0.00 0.00 54.58 53.73 1o8r n ASN 34 Cb 0.46 0.00 -0.05 0.00 -2.08 0.00 0.00 39.78 38.11 1o8r n ASN 34 CO 0.00 0.00 0.00 0.49 -0.93 0.00 0.00 177.26 176.82 1o8r n PHE 35 N 4.99 -0.37 -2.28 -2.53 3.72 -1.18 -4.89 117.46 114.92 1o8r n PHE 35 Ca 0.00 0.00 -0.37 0.00 -0.05 0.00 0.00 57.45 57.03 1o8r n PHE 35 Cb 0.00 -3.39 -0.01 0.00 -0.94 0.00 0.00 39.48 35.13 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 -2.80 3.00 1.00 4.37 0.00 -1.26 -4.99 121.76 121.08 1o8r s ALA 36 Ca 0.00 0.92 0.00 0.00 0.00 0.00 0.00 51.96 52.88 1o8r s ALA 36 Cb 0.00 -3.38 0.00 0.00 0.00 0.00 0.00 23.12 19.74 1o8r s ALA 36 CO 0.00 -0.61 0.00 -2.30 0.00 0.00 0.00 175.76 172.85 1o8r n PRO 37 N -0.39 2.13 -4.40 0.00 -0.02 -1.26 -4.63 135.00 126.43 1o8r n PRO 37 Ca 0.07 0.00 -0.32 0.00 -2.02 0.00 0.00 63.50 61.22 1o8r n PRO 37 Cb 0.48 0.00 -0.10 0.00 -0.02 0.00 0.00 33.50 33.86 1o8r n PRO 37 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 1o8r s ILE 38 N 0.00 3.80 0.36 4.25 -1.09 -1.26 -4.84 121.20 122.42 1o8r s ILE 38 Ca 0.00 -0.73 -0.28 0.00 -2.23 0.00 0.00 60.65 57.41 1o8r s ILE 38 Cb 0.00 -2.67 -0.11 0.00 -1.58 0.00 0.00 42.46 38.10 1o8r s ILE 38 CO 0.00 0.39 1.53 -2.65 -1.23 0.00 0.00 174.94 172.97 1o8r n PRO 39 N 1.50 2.72 0.00 2.79 -0.01 -1.26 -4.90 135.00 135.84 1o8r n PRO 39 Ca -0.15 0.96 0.00 0.00 -0.01 0.00 0.00 63.50 64.29 1o8r n PRO 39 Cb 0.53 -2.71 0.00 0.00 -0.01 0.00 0.00 33.50 31.31 1o8r n PRO 39 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 175.50 175.90 1o8r n GLY 40 N 0.84 -0.61 2.96 -1.23 0.00 -1.26 -5.05 105.19 100.84 1o8r n GLY 40 Ca 0.03 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.03 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 -1.50 0.00 1.61 4.07 -1.26 -5.00 120.64 118.56 1o8r n GLU 41 Ca 0.00 1.60 0.00 0.00 -0.06 0.00 0.00 57.16 58.70 1o8r n GLU 41 Cb 0.36 -5.60 0.00 0.00 -0.06 0.00 0.00 31.44 26.14 1o8r n GLU 41 CO 0.00 0.00 0.00 -0.35 -0.06 0.00 0.00 177.13 176.72 1o8r n PRO 42 N -1.43 -0.64 -3.52 5.31 -0.05 -1.26 -4.97 135.00 128.45 1o8r n PRO 42 Ca 0.03 0.00 -0.37 0.00 -0.05 0.00 0.00 63.50 63.11 1o8r n PRO 42 Cb 0.49 0.00 -0.07 0.00 -0.05 0.00 0.00 33.50 33.87 1o8r n PRO 42 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 175.50 175.99 1o8r s VAL 43 N -0.58 5.29 -0.41 0.52 0.11 -1.26 -4.90 120.40 119.18 1o8r s VAL 43 Ca 0.00 0.56 0.09 0.00 -2.93 0.00 0.00 61.98 59.70 1o8r s VAL 43 Cb 0.00 -3.64 0.38 0.00 -1.53 0.00 0.00 36.38 31.59 1o8r s VAL 43 CO 0.00 0.37 1.27 0.55 -3.33 0.00 0.00 175.10 173.96 1o8r n VAL 44 N 3.70 0.07 0.30 2.04 3.14 -1.26 -1.89 118.33 124.43 1o8r n VAL 44 Ca -0.11 -1.67 -0.14 0.00 -2.96 0.00 0.00 64.34 59.45 1o8r n VAL 44 Cb 0.52 1.06 -0.07 0.00 -1.06 0.00 0.00 33.84 34.28 1o8r n VAL 44 CO 0.00 0.00 0.00 1.55 -6.46 0.00 0.00 176.83 171.92 1o8r h PRO 45 N 2.30 -0.82 0.00 1.45 0.13 -1.93 -3.43 132.00 129.70 1o8r h PRO 45 Ca -0.22 0.06 0.00 0.00 -0.87 0.00 0.00 66.00 64.96 1o8r h PRO 45 Cb 1.24 0.19 0.00 0.00 0.13 0.00 0.00 31.00 32.56 1o8r h PRO 45 CO 0.02 -0.55 0.00 -0.89 -0.23 0.00 0.00 178.00 176.36 1o8r n ILE 46 N -4.59 0.00 0.87 -3.56 5.41 -1.26 -4.69 119.36 111.54 1o8r n ILE 46 Ca -0.10 0.00 0.12 0.00 1.00 0.00 0.00 62.75 63.76 1o8r n ILE 46 Cb 0.36 0.00 0.29 0.00 -0.71 0.00 0.00 39.64 39.57 1o8r n ILE 46 CO 0.00 0.00 0.00 0.18 0.00 0.00 0.00 176.55 176.73 1o8r n LEU 47 N -0.88 2.55 -1.98 1.39 4.32 -1.26 -4.70 117.00 116.44 1o8r n LEU 47 Ca 0.00 -1.03 0.00 0.00 -0.02 0.00 0.00 56.01 54.96 1o8r n LEU 47 Cb 0.00 -0.14 0.00 0.00 -1.62 0.00 0.00 43.42 41.66 1o8r n LEU 47 CO 0.00 0.52 -0.44 0.00 -1.22 0.00 0.00 177.39 176.25 1o8r h SER 49 N 3.72 0.98 -3.30 0.00 4.64 -1.75 -3.39 113.55 114.45 1o8r h SER 49 Ca 0.00 -0.21 -0.56 0.00 -0.47 0.00 0.00 61.79 60.55 1o8r h SER 49 Cb 0.00 -0.26 -0.08 0.00 -0.31 0.00 0.00 62.40 61.76 1o8r h SER 49 CO 0.00 0.93 0.93 0.20 -0.87 0.00 0.00 176.83 178.01 1o8r s ASN 50 N -6.30 6.47 0.41 4.97 -0.87 -1.26 -4.86 114.94 113.50 1o8r s ASN 50 Ca -0.12 0.13 0.28 0.00 -1.57 0.00 0.00 52.86 51.58 1o8r s ASN 50 Cb 0.14 -2.54 1.49 0.00 -0.02 0.00 0.00 41.25 40.31 1o8r s ASN 50 CO 0.83 -1.41 1.86 1.55 -2.57 0.00 0.00 177.10 177.35 1o8r h PRO 51 N 9.46 0.00 -0.41 -0.60 0.13 -1.89 -2.46 132.00 136.23 1o8r h PRO 51 Ca -0.25 0.00 -0.30 0.00 -0.87 0.00 0.00 66.00 64.58 1o8r h PRO 51 Cb 1.06 0.00 -0.33 0.00 0.13 0.00 0.00 31.00 31.86 1o8r h PRO 51 CO 1.16 0.00 -0.86 0.09 -0.23 0.00 0.00 178.00 178.16 1o8r n ASN 52 N -2.49 2.83 -4.69 1.44 5.03 -1.26 -5.04 115.26 111.09 1o8r n ASN 52 Ca -0.01 -3.09 -0.29 0.00 0.87 0.00 0.00 54.58 52.06 1o8r n ASN 52 Cb 0.07 -0.41 0.12 0.00 -1.02 0.00 0.00 39.78 38.53 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 -3.08 2.57 -0.51 3.10 -0.71 -0.93 -4.79 117.98 113.64 1o8r s PHE 53 Ca 0.40 0.62 -0.21 0.00 -1.04 0.00 0.00 56.93 56.70 1o8r s PHE 53 Cb 0.38 -3.67 -0.21 0.00 -1.21 0.00 0.00 43.02 38.31 1o8r s PHE 53 CO -0.03 -2.02 1.62 -2.30 -1.34 0.00 0.00 175.22 171.15 1o8r n PRO 54 N -3.44 0.04 -0.44 1.99 -0.01 -1.26 -4.63 135.00 127.24 1o8r n PRO 54 Ca 0.10 -1.05 0.40 0.00 -0.01 0.00 0.00 63.50 62.93 1o8r n PRO 54 Cb 0.61 -2.76 0.61 0.00 -0.01 0.00 0.00 33.50 31.94 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 7.00 0.01 0.27 -0.52 2.13 -1.26 0.25 120.64 128.50 1o8r n GLU 55 Ca 0.31 1.04 0.12 0.00 0.66 0.00 0.00 57.16 59.28 1o8r n GLU 55 Cb 0.44 -2.49 0.62 0.00 0.27 0.00 0.00 31.44 30.28 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 -0.43 5.31 5.08 -2.02 2.19 114.58 124.71 1o8r h GLU 56 Ca 0.70 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 59.06 1o8r h GLU 56 Cb 3.30 0.00 0.00 0.00 0.50 0.00 0.00 28.75 32.55 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 -2.54 2.22 -0.37 1.33 4.77 0.68 -4.45 117.00 118.63 1o8r n LEU 57 Ca -0.02 -1.11 0.03 0.00 -0.03 0.00 0.00 56.01 54.88 1o8r n LEU 57 Cb 0.36 -0.30 0.09 0.00 -2.33 0.00 0.00 43.42 41.25 1o8r n LEU 57 CO 0.10 0.50 0.62 1.17 -1.33 0.00 0.00 177.39 178.46 1o8r n LYS 58 N 0.59 -0.16 -0.19 3.23 4.81 0.74 0.13 118.16 127.30 1o8r n LYS 58 Ca 0.13 1.55 -0.01 0.00 -0.87 0.00 0.00 58.31 59.11 1o8r n LYS 58 Cb 0.37 -2.30 0.10 0.00 0.02 0.00 0.00 35.03 33.22 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 0.37 -0.55 1.64 0.10 -1.82 -1.07 132.00 130.67 1o8r h PRO 59 Ca 0.42 -0.02 0.11 0.00 0.10 0.00 0.00 66.00 66.60 1o8r h PRO 59 Cb 0.66 -0.08 -0.10 0.00 0.10 0.00 0.00 31.00 31.58 1o8r h PRO 59 CO -1.01 0.24 -0.09 1.25 0.10 0.00 0.00 178.00 178.49 1o8r h LEU 60 N 0.38 -0.42 -2.06 2.35 5.85 0.70 0.40 115.31 122.51 1o8r h LEU 60 Ca 0.29 0.15 -0.01 0.00 0.84 0.00 0.00 57.88 59.15 1o8r h LEU 60 Cb 0.35 0.31 -0.00 0.00 0.37 0.00 0.00 40.66 41.69 1o8r h LEU 60 CO -0.30 -0.15 -0.05 0.00 -0.34 0.00 0.00 178.44 177.59 1o8r n LYS 62 N -4.18 0.85 -4.56 0.00 4.81 0.14 -4.03 118.16 111.19 1o8r n LYS 62 Ca -0.03 -0.08 -0.24 0.00 -0.87 0.00 0.00 58.31 57.10 1o8r n LYS 62 Cb 0.14 -1.50 -0.14 0.00 0.02 0.00 0.00 35.03 33.55 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 -2.21 1.25 0.00 1.64 -1.05 -0.16 -4.99 118.70 113.17 1o8r s GLU 63 Ca 0.40 -0.86 0.03 0.00 -0.15 0.00 0.00 54.97 54.39 1o8r s GLU 63 Cb 0.21 -1.32 0.15 0.00 -0.44 0.00 0.00 34.13 32.73 1o8r s GLU 63 CO 0.40 0.34 1.05 -2.30 0.95 0.00 0.00 175.26 175.70 1o8r n PRO 64 N 1.91 0.02 0.18 -4.83 -0.02 -1.26 -1.70 135.00 129.29 1o8r n PRO 64 Ca -0.17 0.38 0.13 0.00 -2.02 0.00 0.00 63.50 61.82 1o8r n PRO 64 Cb 0.54 -1.50 0.28 0.00 -0.02 0.00 0.00 33.50 32.79 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 -0.26 -1.95 -3.31 115.58 111.62 1o8r h ASN 65 Ca 0.00 0.00 0.32 0.00 -0.56 0.00 0.00 56.30 56.06 1o8r h ASN 65 Cb 0.05 0.00 -0.15 0.00 -1.06 0.00 0.00 38.32 37.16 1o8r h ASN 65 CO 0.00 0.00 0.57 0.00 -1.06 0.00 0.00 177.43 176.94 1o8r h ALA 66 N 2.20 1.94 -0.57 -0.83 0.00 -1.37 1.35 119.26 121.97 1o8r h ALA 66 Ca 0.00 0.18 -0.09 0.00 0.00 0.00 0.00 54.91 55.00 1o8r h ALA 66 Cb 0.88 0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.79 1o8r h ALA 66 CO 0.00 -0.55 -0.01 1.96 0.00 0.00 0.00 179.25 180.66 1o8r h GLN 67 N 0.35 1.00 0.13 0.00 4.20 -1.82 0.35 115.11 119.31 1o8r h GLN 67 Ca 0.73 -0.31 -0.18 0.00 0.06 0.00 0.00 58.65 58.95 1o8r h GLN 67 Cb 1.63 -0.10 0.02 0.00 0.30 0.00 0.00 27.48 29.34 1o8r h GLN 67 CO -0.60 0.99 -0.80 0.93 -0.67 0.00 0.00 178.83 178.68 1o8r h GLU 68 N 0.92 0.27 -0.60 1.46 4.39 0.24 -3.23 114.58 118.03 1o8r h GLU 68 Ca 0.16 -0.46 -0.04 0.00 0.34 0.00 0.00 59.36 59.36 1o8r h GLU 68 Cb 0.54 0.17 -0.03 0.00 -0.10 0.00 0.00 28.75 29.34 1o8r h GLU 68 CO 0.03 1.22 0.21 0.82 -1.16 0.00 0.00 179.01 180.13 1o8r h ILE 69 N -0.42 1.24 -0.21 3.13 2.04 0.14 -2.99 117.51 120.43 1o8r h ILE 69 Ca -0.14 -0.79 0.06 0.00 1.00 0.00 0.00 64.86 64.98 1o8r h ILE 69 Cb 1.60 0.62 -0.06 0.00 -0.74 0.00 0.00 36.82 38.23 1o8r h ILE 69 CO 0.13 0.30 -0.21 0.25 0.00 0.00 0.00 178.15 178.62 1o8r h LEU 70 N 0.85 -0.68 -0.81 1.44 7.12 -0.40 -1.65 115.31 121.18 1o8r h LEU 70 Ca 0.20 0.12 0.14 0.00 0.13 0.00 0.00 57.88 58.47 1o8r h LEU 70 Cb 0.26 0.32 -0.14 0.00 -0.53 0.00 0.00 40.66 40.57 1o8r h LEU 70 CO -0.01 -0.25 -0.34 -0.61 -0.13 0.00 0.00 178.44 177.09 1o8r h GLN 71 N -0.23 -0.06 0.26 1.25 4.15 -1.53 0.25 115.11 119.19 1o8r h GLN 71 Ca 0.13 0.00 -0.01 0.00 0.77 0.00 0.00 58.65 59.54 1o8r h GLN 71 Cb 0.42 0.01 -0.00 0.00 0.21 0.00 0.00 27.48 28.12 1o8r h GLN 71 CO -0.35 -0.04 -0.16 0.00 -1.93 0.00 0.00 178.83 176.35 1o8r h ARG 72 N -0.07 -0.39 -0.16 1.69 3.08 -1.36 -0.94 114.38 116.23 1o8r h ARG 72 Ca 0.31 0.03 0.05 0.00 0.07 0.00 0.00 59.98 60.44 1o8r h ARG 72 Cb 0.58 0.09 -0.07 0.00 0.08 0.00 0.00 29.97 30.65 1o8r h ARG 72 CO -0.85 -0.26 -0.36 -0.07 -1.07 0.00 0.00 179.97 177.36 1o8r h LEU 73 N -0.41 -1.12 -0.21 3.04 3.38 -0.21 0.21 115.31 119.99 1o8r h LEU 73 Ca -0.02 0.16 0.05 0.00 0.09 0.00 0.00 57.88 58.16 1o8r h LEU 73 Cb 0.34 0.47 -0.05 0.00 0.09 0.00 0.00 40.66 41.51 1o8r h LEU 73 CO 0.02 -0.38 -0.10 -0.33 0.09 0.00 0.00 178.44 177.74 1o8r h GLU 74 N -0.41 -0.07 0.01 1.13 5.08 -0.90 0.24 114.58 119.66 1o8r h GLU 74 Ca 0.10 0.00 0.03 0.00 -1.00 0.00 0.00 59.36 58.49 1o8r h GLU 74 Cb 0.57 0.02 -0.04 0.00 0.50 0.00 0.00 28.75 29.80 1o8r h GLU 74 CO -0.39 -0.05 -0.25 1.49 -1.00 0.00 0.00 179.01 178.81 1o8r h GLU 75 N -0.07 -0.38 -0.39 2.33 4.81 -0.43 -1.11 114.58 119.33 1o8r h GLU 75 Ca 0.12 0.03 -0.02 0.00 -0.13 0.00 0.00 59.36 59.35 1o8r h GLU 75 Cb 0.25 0.09 -0.02 0.00 0.63 0.00 0.00 28.75 29.69 1o8r h GLU 75 CO -0.26 -0.25 0.17 0.82 -0.73 0.00 0.00 179.01 178.75 1o8r h ILE 76 N -0.40 1.15 -0.63 2.32 2.04 -0.63 -1.51 117.51 119.85 1o8r h ILE 76 Ca 0.06 -0.44 0.08 0.00 1.00 0.00 0.00 64.86 65.55 1o8r h ILE 76 Cb 0.48 0.67 -0.04 0.00 -0.74 0.00 0.00 36.82 37.19 1o8r h ILE 76 CO -0.22 0.17 0.42 0.00 0.00 0.00 0.00 178.15 178.52 1o8r h ALA 77 N 1.64 1.87 -0.90 1.87 0.00 0.73 -1.10 119.26 123.37 1o8r h ALA 77 Ca 0.14 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.04 1o8r h ALA 77 Cb 0.10 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 17.71 1o8r h ALA 77 CO -0.02 0.01 0.58 1.49 0.00 0.00 0.00 179.25 181.31 1o8r h GLU 78 N 0.55 1.19 -3.39 0.00 4.81 -0.63 -3.37 114.58 113.74 1o8r h GLU 78 Ca 0.28 -0.08 -0.05 0.00 -0.13 0.00 0.00 59.36 59.38 1o8r h GLU 78 Cb 0.39 -0.26 -0.13 0.00 0.63 0.00 0.00 28.75 29.38 1o8r h GLU 78 CO -0.09 0.81 -0.07 0.16 -0.73 0.00 0.00 179.01 179.09 1o8r s ASP 79 N -6.05 -0.23 0.06 1.04 1.47 -0.42 -3.09 116.67 109.44 1o8r s ASP 79 Ca -0.13 -0.34 -0.37 0.00 1.18 0.00 0.00 52.55 52.90 1o8r s ASP 79 Cb 0.17 0.48 -0.20 0.00 -0.34 0.00 0.00 42.92 43.02 1o8r s ASP 79 CO 0.81 -0.87 1.54 -0.65 0.68 0.00 0.00 175.17 176.68 1o8r h PRO 80 N 2.36 -1.26 0.00 2.11 0.10 -1.88 -3.41 132.00 130.01 1o8r h PRO 80 Ca -0.34 0.09 0.00 0.00 0.10 0.00 0.00 66.00 65.85 1o8r h PRO 80 Cb 1.26 0.29 0.00 0.00 0.10 0.00 0.00 31.00 32.64 1o8r h PRO 80 CO 0.46 -0.84 0.00 0.41 0.10 0.00 0.00 178.00 178.13 1o8r n GLY 81 N -1.60 0.85 0.17 -0.55 0.00 -1.26 -3.24 105.19 99.56 1o8r n GLY 81 Ca -0.16 -0.83 0.08 0.00 0.00 0.00 0.00 46.02 45.11 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 0.30 -0.27 2.61 1.35 -1.97 -3.33 112.91 111.60 1o8r h THR 82 Ca 0.00 -1.44 0.05 0.00 -0.55 0.00 0.00 66.41 64.47 1o8r h THR 82 Cb 0.00 2.06 -0.04 0.00 -1.73 0.00 0.00 68.15 68.44 1o8r h THR 82 CO 0.00 0.17 0.00 0.00 -0.25 0.00 0.00 175.52 175.44 1o8r h GLU 84 N 0.09 0.28 -0.72 0.00 4.81 -1.67 -0.93 114.58 116.43 1o8r h GLU 84 Ca 0.13 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.34 1o8r h GLU 84 Cb 0.17 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 29.49 1o8r h GLU 84 CO -0.22 0.18 0.00 0.44 -0.73 0.00 0.00 179.01 178.69 1o8r n ILE 85 N -4.50 1.05 -1.28 2.32 -5.35 -0.43 -4.91 119.36 106.26 1o8r n ILE 85 Ca 0.01 -0.98 -0.12 0.00 -0.27 0.00 0.00 62.75 61.39 1o8r n ILE 85 Cb 0.11 0.44 -0.05 0.00 -1.74 0.00 0.00 39.64 38.41 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 0.20 1.00 -2.86 0.00 0.00 -1.31 -3.44 119.26 112.85 1o8r h ALA 87 Ca -0.24 0.00 -0.43 0.00 0.00 0.00 0.00 54.91 54.25 1o8r h ALA 87 Cb 1.05 0.00 -0.13 0.00 0.00 0.00 0.00 17.79 18.71 1o8r h ALA 87 CO 0.35 0.00 -0.50 0.71 0.00 0.00 0.00 179.25 179.81 1o8r s TYR 88 N -3.99 1.64 -2.00 0.00 2.02 -1.26 -5.01 117.35 108.75 1o8r s TYR 88 Ca -0.04 -1.61 0.20 0.00 -0.37 0.00 0.00 57.07 55.25 1o8r s TYR 88 Cb 0.11 -0.66 1.20 0.00 -0.40 0.00 0.00 41.96 42.21 1o8r s TYR 88 CO 0.37 -0.85 1.62 0.00 -1.57 0.00 0.00 175.55 175.12 1o8r n ALA 89 N -0.57 2.36 -0.34 3.71 0.00 -1.26 -3.60 120.51 120.81 1o8r n ALA 89 Ca 0.06 -0.13 -0.01 0.00 0.00 0.00 0.00 53.44 53.37 1o8r n ALA 89 Cb 0.63 -1.33 0.13 0.00 0.00 0.00 0.00 19.45 18.88 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 3.33 1.23 -3.09 0.00 0.00 -1.92 -3.40 119.26 115.41 1o8r h ALA 90 Ca 0.00 -0.04 -0.66 0.00 0.00 0.00 0.00 54.91 54.21 1o8r h ALA 90 Cb 0.00 -0.32 -0.28 0.00 0.00 0.00 0.00 17.79 17.19 1o8r h ALA 90 CO 0.00 0.46 -0.74 0.00 0.00 0.00 0.00 179.25 178.97 1o8r s THR 92 N 1.16 2.12 0.00 0.00 -4.23 -0.77 -4.61 115.64 109.31 1o8r s THR 92 Ca 0.02 -1.26 0.00 0.00 -1.18 0.00 0.00 61.69 59.27 1o8r s THR 92 Cb -0.14 -2.37 0.00 0.00 1.34 0.00 0.00 72.50 71.32 1o8r s THR 92 CO -0.02 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.67 1o8r n GLY 93 N -1.89 0.55 0.48 3.99 0.00 -1.26 -3.26 105.19 103.80 1o8r n GLY 93 Ca 0.06 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.22 1o8r n GLY 93 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32