#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 2.53 -0.19 3.34 2.01 -0.91 -4.89 115.64 117.52 1o8r s THR 2 Ca 0.00 -1.37 -0.25 0.00 0.31 0.00 0.00 61.69 60.38 1o8r s THR 2 Cb 0.00 -2.07 -0.01 0.00 0.01 0.00 0.00 72.50 70.43 1o8r s THR 2 CO 0.00 0.28 0.85 -0.69 -0.69 0.00 0.00 174.62 174.37 1o8r s VAL 3 N -0.94 4.85 -0.18 3.82 1.01 -0.18 -0.79 120.40 127.99 1o8r s VAL 3 Ca 0.14 1.65 -0.02 0.00 0.00 0.00 0.00 61.98 63.75 1o8r s VAL 3 Cb -0.10 -4.15 -0.01 0.00 0.00 0.00 0.00 36.38 32.12 1o8r s VAL 3 CO 0.05 -0.02 -0.08 -1.10 0.00 0.00 0.00 175.10 173.95 1o8r s GLN 4 N 2.43 3.40 -0.04 2.72 -0.21 -0.77 -0.96 119.66 126.22 1o8r s GLN 4 Ca 0.38 -0.64 0.18 0.00 0.02 0.00 0.00 55.36 55.30 1o8r s GLN 4 Cb -0.16 -2.84 0.59 0.00 1.00 0.00 0.00 33.01 31.59 1o8r s GLN 4 CO 0.10 0.00 1.50 -0.40 -2.12 0.00 0.00 175.29 174.37 1o8r n ASP 5 N 4.19 3.97 0.00 5.90 5.68 -1.26 -4.76 116.55 130.26 1o8r n ASP 5 Ca -0.18 -2.19 0.00 0.00 -0.50 0.00 0.00 54.79 51.92 1o8r n ASP 5 Cb 0.52 -0.46 0.00 0.00 -1.14 0.00 0.00 41.12 40.03 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 1.11 0.90 1.12 6.12 0.00 -1.26 -4.96 105.19 108.22 1o8r n GLY 6 Ca 0.22 0.11 0.03 0.00 0.00 0.00 0.00 46.02 46.38 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 3.12 -4.33 1.61 3.02 -1.26 -4.87 115.26 112.55 1o8r n ASN 7 Ca 0.00 -2.41 -0.19 0.00 -0.03 0.00 0.00 54.58 51.95 1o8r n ASN 7 Cb 0.00 -0.57 -0.10 0.00 -0.61 0.00 0.00 39.78 38.49 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 -1.80 1.69 -0.32 3.10 0.08 -1.26 -5.12 117.98 114.35 1o8r s PHE 8 Ca 0.25 -0.55 -0.11 0.00 0.12 0.00 0.00 56.93 56.64 1o8r s PHE 8 Cb 0.19 -0.81 -0.01 0.00 -0.57 0.00 0.00 43.02 41.82 1o8r s PHE 8 CO 0.08 0.32 0.18 -1.12 -0.10 0.00 0.00 175.22 174.58 1o8r s SER 9 N -3.08 5.74 -0.13 1.36 0.01 -1.26 -4.16 113.70 112.19 1o8r s SER 9 Ca 0.19 -0.46 0.01 0.00 1.31 0.00 0.00 55.95 57.01 1o8r s SER 9 Cb -0.02 -2.05 -0.00 0.00 0.21 0.00 0.00 66.02 64.15 1o8r s SER 9 CO 0.06 -0.20 -0.17 -0.36 0.41 0.00 0.00 173.24 172.98 1o8r s PHE 10 N 1.66 2.73 0.91 2.43 0.08 -0.13 -4.97 117.98 120.68 1o8r s PHE 10 Ca 0.05 -0.93 -0.13 0.00 0.12 0.00 0.00 56.93 56.04 1o8r s PHE 10 Cb -0.17 -1.83 0.14 0.00 -0.57 0.00 0.00 43.02 40.59 1o8r s PHE 10 CO 0.08 -0.38 1.15 0.45 -0.10 0.00 0.00 175.22 176.42 1o8r s SER 11 N 0.55 3.57 0.09 1.36 0.15 -1.26 -1.01 113.70 117.15 1o8r s SER 11 Ca -0.11 0.89 0.23 0.00 0.70 0.00 0.00 55.95 57.66 1o8r s SER 11 Cb -0.16 -1.42 0.01 0.00 -1.71 0.00 0.00 66.02 62.74 1o8r s SER 11 CO 0.04 -2.50 0.99 0.18 1.20 0.00 0.00 173.24 173.14 1o8r n LEU 12 N -3.72 0.61 0.00 3.45 4.32 -1.26 -4.20 117.00 116.19 1o8r n LEU 12 Ca 0.07 0.11 0.00 0.00 -0.02 0.00 0.00 56.01 56.17 1o8r n LEU 12 Cb 0.60 -0.08 0.00 0.00 -1.62 0.00 0.00 43.42 42.31 1o8r n LEU 12 CO 0.56 -0.04 0.35 -0.62 -1.22 0.00 0.00 177.39 176.42 1o8r n GLU 13 N -2.23 0.00 -0.30 3.23 1.02 -1.26 -0.73 120.64 120.37 1o8r n GLU 13 Ca 0.01 0.40 0.01 0.00 -0.02 0.00 0.00 57.16 57.56 1o8r n GLU 13 Cb 0.49 -1.29 0.07 0.00 -0.02 0.00 0.00 31.44 30.69 1o8r n GLU 13 CO 0.00 0.00 0.00 0.77 1.18 0.00 0.00 177.13 179.08 1o8r h SER 14 N 0.00 -1.01 -0.34 1.62 0.02 -1.94 0.40 113.55 112.30 1o8r h SER 14 Ca 0.00 0.26 0.05 0.00 -0.84 0.00 0.00 61.79 61.26 1o8r h SER 14 Cb 0.00 0.59 -0.04 0.00 0.14 0.00 0.00 62.40 63.09 1o8r h SER 14 CO 0.00 -0.29 0.07 0.58 -1.14 0.00 0.00 176.83 176.05 1o8r h VAL 15 N -0.03 0.84 0.11 2.27 2.07 -1.73 1.43 116.25 121.21 1o8r h VAL 15 Ca 0.36 -0.07 0.02 0.00 0.82 0.00 0.00 66.70 67.84 1o8r h VAL 15 Cb 0.61 0.63 -0.04 0.00 -1.52 0.00 0.00 31.29 30.97 1o8r h VAL 15 CO -0.87 0.04 -0.27 0.50 0.02 0.00 0.00 177.57 176.98 1o8r h LYS 16 N 0.19 -0.46 -0.42 1.57 3.64 0.19 0.19 116.57 121.46 1o8r h LYS 16 Ca 0.16 0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.57 1o8r h LYS 16 Cb 0.17 0.10 0.00 0.00 -0.41 0.00 0.00 32.23 32.10 1o8r h LYS 16 CO -0.20 -0.31 0.00 1.63 -2.27 0.00 0.00 179.45 178.30 1o8r n LYS 17 N -5.39 1.08 -0.01 1.90 5.02 0.34 -3.86 118.16 117.25 1o8r n LYS 17 Ca -0.06 -0.09 -0.03 0.00 -2.02 0.00 0.00 58.31 56.11 1o8r n LYS 17 Cb 0.30 -1.23 0.22 0.00 -0.02 0.00 0.00 35.03 34.30 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 0.13 0.54 -9.76 -0.35 6.46 0.51 -3.35 115.31 109.50 1o8r h LEU 18 Ca 0.00 -0.15 -0.63 0.00 -0.12 0.00 0.00 57.88 56.98 1o8r h LEU 18 Cb 0.24 -0.14 -0.05 0.00 -0.73 0.00 0.00 40.66 39.98 1o8r h LEU 18 CO 0.01 0.70 -0.39 -0.54 -0.62 0.00 0.00 178.44 177.60 1o8r s LYS 19 N -4.73 3.58 -1.34 1.25 1.02 -1.25 -4.36 119.74 113.90 1o8r s LYS 19 Ca -0.08 -0.06 -0.02 0.00 0.02 0.00 0.00 55.97 55.83 1o8r s LYS 19 Cb 0.14 -3.10 0.01 0.00 -0.52 0.00 0.00 37.83 34.37 1o8r s LYS 19 CO 0.79 0.66 0.72 -0.25 -0.92 0.00 0.00 175.35 176.35 1o8r n ASP 20 N 1.23 -1.60 -4.71 2.83 8.00 -1.26 -4.92 116.55 116.12 1o8r n ASP 20 Ca -0.12 -0.82 -0.40 0.00 0.71 0.00 0.00 54.79 54.15 1o8r n ASP 20 Cb 0.53 -3.99 -0.04 0.00 -0.02 0.00 0.00 41.12 37.59 1o8r n ASP 20 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 1o8r s LEU 21 N -6.77 4.31 1.07 0.64 2.96 -1.26 -5.04 118.68 114.58 1o8r s LEU 21 Ca 0.09 1.27 -0.12 0.00 -0.22 0.00 0.00 54.13 55.15 1o8r s LEU 21 Cb -0.04 -3.19 0.23 0.00 0.50 0.00 0.00 46.19 43.68 1o8r s LEU 21 CO 0.82 -0.18 1.06 -1.58 -1.32 0.00 0.00 176.35 175.15 1o8r s GLN 22 N 1.03 -0.15 0.19 1.98 2.00 -1.26 -4.88 119.66 118.57 1o8r s GLN 22 Ca 0.40 0.90 -0.23 0.00 -2.00 0.00 0.00 55.36 54.43 1o8r s GLN 22 Cb -0.18 -1.64 0.10 0.00 0.80 0.00 0.00 33.01 32.09 1o8r s GLN 22 CO 0.19 -3.22 1.57 0.93 -0.50 0.00 0.00 175.29 174.26 1o8r h GLU 23 N -2.26 -0.15 -6.83 1.67 4.39 -2.04 -3.39 114.58 105.97 1o8r h GLU 23 Ca -0.56 0.01 -0.53 0.00 0.34 0.00 0.00 59.36 58.62 1o8r h GLU 23 Cb 1.32 0.03 0.08 0.00 -0.10 0.00 0.00 28.75 30.08 1o8r h GLU 23 CO 0.51 -0.10 0.79 -1.25 -1.16 0.00 0.00 179.01 177.80 1o8r s PRO 24 N -5.90 4.19 0.30 2.33 0.05 -1.26 -4.90 135.00 129.81 1o8r s PRO 24 Ca -0.14 2.45 -0.00 0.00 0.05 0.00 0.00 61.00 63.36 1o8r s PRO 24 Cb 0.15 -3.04 0.50 0.00 0.05 0.00 0.00 34.50 32.16 1o8r s PRO 24 CO 0.68 -0.49 1.92 1.96 0.05 0.00 0.00 177.00 181.12 1o8r h GLN 25 N 4.30 1.03 -1.08 4.56 4.20 -1.91 -3.38 115.11 122.83 1o8r h GLN 25 Ca -0.48 -0.06 -0.10 0.00 0.06 0.00 0.00 58.65 58.07 1o8r h GLN 25 Cb 1.22 -0.23 -0.19 0.00 0.30 0.00 0.00 27.48 28.58 1o8r h GLN 25 CO 0.74 0.68 -0.48 -1.21 -0.67 0.00 0.00 178.83 177.89 1o8r s GLU 26 N -5.92 0.86 0.42 1.46 8.01 -1.26 -4.93 118.70 117.34 1o8r s GLU 26 Ca -0.12 -0.47 0.09 0.00 0.01 0.00 0.00 54.97 54.49 1o8r s GLU 26 Cb 0.19 -0.00 0.91 0.00 -4.31 0.00 0.00 34.13 30.93 1o8r s GLU 26 CO 0.80 -1.22 2.04 -1.35 0.01 0.00 0.00 175.26 175.54 1o8r h PRO 27 N 6.62 0.36 -3.41 0.39 0.11 -1.97 -3.42 132.00 130.68 1o8r h PRO 27 Ca 0.05 -0.04 -0.24 0.00 0.11 0.00 0.00 66.00 65.89 1o8r h PRO 27 Cb 1.16 -0.07 -0.30 0.00 0.11 0.00 0.00 31.00 31.89 1o8r h PRO 27 CO 0.09 0.30 -0.63 1.03 -0.21 0.00 0.00 178.00 178.58 1o8r s ARG 28 N -5.21 0.07 -0.04 1.05 0.52 -1.26 -5.15 118.95 108.93 1o8r s ARG 28 Ca -0.07 0.23 0.04 0.00 -0.52 0.00 0.00 55.73 55.41 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 0.72 -0.10 -0.15 0.08 0.02 0.00 0.00 175.30 175.87 1o8r s VAL 29 N 0.67 1.30 0.02 3.52 1.01 -1.26 -5.11 120.40 120.54 1o8r s VAL 29 Ca -0.05 -0.63 -0.08 0.00 0.00 0.00 0.00 61.98 61.21 1o8r s VAL 29 Cb -0.07 -1.13 0.03 0.00 0.00 0.00 0.00 36.38 35.21 1o8r s VAL 29 CO -0.03 0.38 0.38 0.61 0.00 0.00 0.00 175.10 176.44 1o8r n GLY 30 N 3.27 0.70 0.32 4.51 0.00 -1.26 -4.98 105.19 107.75 1o8r n GLY 30 Ca -0.19 -0.93 0.21 0.00 0.00 0.00 0.00 46.02 45.11 1o8r n GLY 30 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1o8r h LYS 31 N 0.00 0.00 -6.09 1.61 3.64 -2.09 -3.42 116.57 110.22 1o8r h LYS 31 Ca -0.07 0.00 -0.62 0.00 -1.27 0.00 0.00 60.65 58.69 1o8r h LYS 31 Cb 0.37 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.20 1o8r h LYS 31 CO 0.10 0.01 1.35 1.28 -2.27 0.00 0.00 179.45 179.92 1o8r n LEU 32 N -3.19 3.06 0.00 5.20 4.77 -1.26 -4.88 117.00 120.70 1o8r n LEU 32 Ca -0.02 0.52 -0.01 0.00 -0.03 0.00 0.00 56.01 56.46 1o8r n LEU 32 Cb 0.12 -1.42 0.00 0.00 -2.33 0.00 0.00 43.42 39.79 1o8r n LEU 32 CO 0.22 -0.46 0.05 -2.11 -1.33 0.00 0.00 177.39 173.76 1o8r n ARG 33 N 7.94 0.12 -3.39 3.23 1.85 -1.26 -4.98 116.66 120.16 1o8r n ARG 33 Ca 0.30 -0.30 -0.17 0.00 -1.00 0.00 0.00 57.85 56.68 1o8r n ARG 33 Cb 0.34 0.34 0.08 0.00 -1.05 0.00 0.00 32.46 32.17 1o8r n ARG 33 CO 0.00 0.00 0.00 0.09 -0.01 0.00 0.00 177.63 177.71 1o8r n ASN 34 N -1.45 -2.74 0.00 2.89 3.02 -1.20 -4.90 115.26 110.87 1o8r n ASN 34 Ca -0.01 -0.58 0.00 0.00 -0.03 0.00 0.00 54.58 53.97 1o8r n ASN 34 Cb 0.07 -4.90 0.00 0.00 -0.61 0.00 0.00 39.78 34.34 1o8r n ASN 34 CO 0.00 0.00 0.00 0.49 -2.62 0.00 0.00 177.26 175.13 1o8r n PHE 35 N -4.14 0.00 -1.19 3.10 3.72 -1.26 -4.72 117.46 112.98 1o8r n PHE 35 Ca -0.23 -0.14 -0.32 0.00 -0.05 0.00 0.00 57.45 56.72 1o8r n PHE 35 Cb 0.64 -0.01 0.11 0.00 -0.94 0.00 0.00 39.48 39.28 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 -0.28 2.04 0.98 4.37 0.00 -1.26 -5.03 121.76 122.58 1o8r s ALA 36 Ca 0.00 0.48 0.00 0.00 0.00 0.00 0.00 51.96 52.44 1o8r s ALA 36 Cb 0.00 -3.36 0.00 0.00 0.00 0.00 0.00 23.12 19.76 1o8r s ALA 36 CO 0.00 -2.00 0.00 -0.35 0.00 0.00 0.00 175.76 173.41 1o8r n PRO 37 N -3.47 2.18 -4.32 0.00 -0.05 -1.26 -4.75 135.00 123.33 1o8r n PRO 37 Ca 0.11 0.00 -0.33 0.00 -0.05 0.00 0.00 63.50 63.23 1o8r n PRO 37 Cb 0.52 0.00 -0.09 0.00 -0.05 0.00 0.00 33.50 33.88 1o8r n PRO 37 CO 0.00 0.00 0.00 0.42 -0.05 0.00 0.00 175.50 175.87 1o8r s ILE 38 N 0.00 4.12 1.16 0.52 1.09 -1.26 -4.82 121.20 122.01 1o8r s ILE 38 Ca 0.00 -0.56 -0.13 0.00 -1.10 0.00 0.00 60.65 58.86 1o8r s ILE 38 Cb 0.00 -2.81 0.28 0.00 -1.06 0.00 0.00 42.46 38.87 1o8r s ILE 38 CO 0.00 0.42 1.03 -2.16 -0.10 0.00 0.00 174.94 174.13 1o8r s PRO 39 N -1.43 -0.93 0.00 2.79 0.04 -1.26 -4.59 135.00 129.63 1o8r s PRO 39 Ca 0.18 0.82 0.00 0.00 0.04 0.00 0.00 61.00 62.04 1o8r s PRO 39 Cb -0.11 -1.55 0.00 0.00 0.04 0.00 0.00 34.50 32.87 1o8r s PRO 39 CO 0.09 -3.72 0.00 0.41 0.04 0.00 0.00 177.00 173.81 1o8r n GLY 40 N 0.72 1.24 2.38 0.56 0.00 -1.26 -5.04 105.19 103.79 1o8r n GLY 40 Ca 0.03 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.79 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 1.07 -1.78 1.61 1.02 -1.26 -5.11 120.64 116.19 1o8r n GLU 41 Ca 0.00 -3.66 -0.38 0.00 -0.02 0.00 0.00 57.16 53.10 1o8r n GLU 41 Cb 0.00 -1.68 0.04 0.00 -0.02 0.00 0.00 31.44 29.78 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 -1.14 3.19 -0.09 3.49 0.01 -1.26 -4.95 135.00 134.25 1o8r s PRO 42 Ca 0.34 2.25 -0.00 0.00 0.01 0.00 0.00 61.00 63.60 1o8r s PRO 42 Cb 0.10 -2.29 0.02 0.00 0.01 0.00 0.00 34.50 32.34 1o8r s PRO 42 CO -0.12 -1.16 -0.06 0.08 0.01 0.00 0.00 177.00 175.75 1o8r s VAL 43 N -1.29 0.83 -0.46 3.83 1.01 -1.26 -5.03 120.40 118.03 1o8r s VAL 43 Ca 0.71 -0.20 0.06 0.00 0.00 0.00 0.00 61.98 62.55 1o8r s VAL 43 Cb -0.41 -0.87 0.30 0.00 0.00 0.00 0.00 36.38 35.41 1o8r s VAL 43 CO 0.48 0.33 1.09 0.52 0.00 0.00 0.00 175.10 177.52 1o8r n VAL 44 N 4.75 0.00 0.00 2.92 0.31 -1.26 -4.71 118.33 120.34 1o8r n VAL 44 Ca -0.14 -1.46 0.00 0.00 -0.01 0.00 0.00 64.34 62.73 1o8r n VAL 44 Cb 0.50 1.48 0.00 0.00 -0.91 0.00 0.00 33.84 34.91 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 0.62 1.78 -0.18 5.55 -0.05 -1.26 -4.81 135.00 136.65 1o8r n PRO 45 Ca 0.06 0.00 -0.07 0.00 -0.05 0.00 0.00 63.50 63.44 1o8r n PRO 45 Cb 0.69 0.00 0.08 0.00 -0.05 0.00 0.00 33.50 34.22 1o8r n PRO 45 CO 0.00 0.00 0.00 0.82 -0.05 0.00 0.00 175.50 176.27 1o8r h ILE 46 N -0.28 1.26 -1.72 0.52 2.04 -2.01 -3.35 117.51 113.96 1o8r h ILE 46 Ca 0.00 -1.08 -0.48 0.00 1.00 0.00 0.00 64.86 64.31 1o8r h ILE 46 Cb 0.00 0.79 -0.36 0.00 -0.74 0.00 0.00 36.82 36.51 1o8r h ILE 46 CO 0.00 0.39 -1.07 0.18 0.00 0.00 0.00 178.15 177.65 1o8r n LEU 47 N -4.20 0.12 -1.82 1.44 4.77 -1.26 -4.98 117.00 111.06 1o8r n LEU 47 Ca 0.03 -4.69 0.00 0.00 -0.03 0.00 0.00 56.01 51.32 1o8r n LEU 47 Cb 0.32 0.72 0.00 0.00 -2.33 0.00 0.00 43.42 42.12 1o8r n LEU 47 CO 0.43 2.18 -0.45 0.00 -1.33 0.00 0.00 177.39 178.22 1o8r h SER 49 N 2.59 -0.47 -3.46 0.00 0.87 -1.91 -3.41 113.55 107.76 1o8r h SER 49 Ca 0.00 0.02 -0.57 0.00 -1.23 0.00 0.00 61.79 60.01 1o8r h SER 49 Cb 0.00 0.12 -0.07 0.00 -0.44 0.00 0.00 62.40 62.01 1o8r h SER 49 CO 0.00 -0.28 0.86 0.20 -0.53 0.00 0.00 176.83 177.07 1o8r s ASN 50 N -3.29 6.81 0.00 6.23 -0.87 -1.26 -4.87 114.94 117.70 1o8r s ASN 50 Ca -0.08 0.82 0.08 0.00 -1.57 0.00 0.00 52.86 52.11 1o8r s ASN 50 Cb 0.01 -2.54 0.43 0.00 -0.02 0.00 0.00 41.25 39.12 1o8r s ASN 50 CO 0.24 -1.00 0.99 -0.81 -2.57 0.00 0.00 177.10 173.95 1o8r n PRO 51 N 7.19 0.19 -0.35 -0.60 -0.05 -1.26 -1.87 135.00 138.25 1o8r n PRO 51 Ca 0.12 0.09 0.07 0.00 -0.05 0.00 0.00 63.50 63.73 1o8r n PRO 51 Cb 0.48 -1.50 0.13 0.00 -0.05 0.00 0.00 33.50 32.56 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 -1.12 1.77 -3.23 3.54 3.02 -1.26 -4.98 115.26 113.00 1o8r n ASN 52 Ca 0.05 -3.06 -0.19 0.00 -0.03 0.00 0.00 54.58 51.35 1o8r n ASN 52 Cb 0.04 -0.41 0.13 0.00 -0.61 0.00 0.00 39.78 38.93 1o8r n ASN 52 CO 0.00 0.00 0.00 2.22 -2.62 0.00 0.00 177.26 176.86 1o8r n PHE 53 N -1.03 -4.00 -0.97 3.10 -1.74 -0.78 -4.77 117.46 107.27 1o8r n PHE 53 Ca 0.14 -0.76 -0.26 0.00 -0.56 0.00 0.00 57.45 56.01 1o8r n PHE 53 Cb 0.69 -0.66 -0.10 0.00 1.52 0.00 0.00 39.48 40.93 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 -2.82 0.03 -0.43 3.97 -0.01 -1.26 -4.66 135.00 129.82 1o8r n PRO 54 Ca 0.11 -1.07 0.37 0.00 -0.01 0.00 0.00 63.50 62.90 1o8r n PRO 54 Cb 0.37 -2.74 0.64 0.00 -0.01 0.00 0.00 33.50 31.77 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 10.21 0.06 0.00 -0.52 4.81 -1.94 2.40 114.58 129.61 1o8r h GLU 55 Ca 0.12 -0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.35 1o8r h GLU 55 Cb 0.81 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 30.17 1o8r h GLU 55 CO 1.44 0.04 0.35 0.93 -0.73 0.00 0.00 179.01 181.05 1o8r h GLU 56 N 0.06 0.00 -0.48 1.92 5.08 -1.95 2.22 114.58 121.44 1o8r h GLU 56 Ca 0.84 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 59.20 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 -0.49 0.00 0.00 1.28 -1.00 0.00 0.00 179.01 178.80 1o8r n LEU 57 N -2.50 2.81 -0.33 1.33 4.32 0.81 -4.46 117.00 118.98 1o8r n LEU 57 Ca -0.01 -1.36 0.03 0.00 -0.02 0.00 0.00 56.01 54.64 1o8r n LEU 57 Cb 0.39 -0.32 0.10 0.00 -1.62 0.00 0.00 43.42 41.97 1o8r n LEU 57 CO 0.09 0.68 0.66 0.50 -1.22 0.00 0.00 177.39 178.10 1o8r h LYS 58 N 3.20 -0.01 -0.90 3.23 3.64 0.36 0.87 116.57 126.96 1o8r h LYS 58 Ca 0.00 0.00 0.13 0.00 -1.27 0.00 0.00 60.65 59.51 1o8r h LYS 58 Cb 0.73 0.00 -0.09 0.00 -0.41 0.00 0.00 32.23 32.46 1o8r h LYS 58 CO 0.00 -0.01 0.52 -1.35 -2.27 0.00 0.00 179.45 176.34 1o8r h PRO 59 N -0.01 0.78 -0.80 1.90 0.10 -1.80 -0.09 132.00 132.07 1o8r h PRO 59 Ca 0.41 -0.05 0.06 0.00 0.10 0.00 0.00 66.00 66.52 1o8r h PRO 59 Cb 0.64 -0.18 -0.06 0.00 0.10 0.00 0.00 31.00 31.51 1o8r h PRO 59 CO -0.93 0.52 0.48 -0.07 0.10 0.00 0.00 178.00 178.10 1o8r h LEU 60 N 0.80 0.74 -2.40 2.35 4.07 0.43 0.19 115.31 121.50 1o8r h LEU 60 Ca 0.46 0.02 -0.01 0.00 0.08 0.00 0.00 57.88 58.44 1o8r h LEU 60 Cb 0.53 -0.13 -0.00 0.00 1.08 0.00 0.00 40.66 42.14 1o8r h LEU 60 CO -0.30 0.47 -0.03 0.00 -1.08 0.00 0.00 178.44 177.51 1o8r n LYS 62 N -3.71 2.35 -4.56 0.00 5.02 0.51 -4.77 118.16 112.99 1o8r n LYS 62 Ca -0.03 -1.98 -0.30 0.00 -2.02 0.00 0.00 58.31 53.98 1o8r n LYS 62 Cb 0.12 -1.48 -0.13 0.00 -0.02 0.00 0.00 35.03 33.52 1o8r n LYS 62 CO 0.00 0.00 0.00 -1.83 -0.52 0.00 0.00 177.40 175.05 1o8r s GLU 63 N -1.85 1.80 0.45 1.97 -1.05 -0.25 -5.00 118.70 114.77 1o8r s GLU 63 Ca 0.32 -1.14 0.31 0.00 -0.15 0.00 0.00 54.97 54.31 1o8r s GLU 63 Cb 0.21 -2.06 1.53 0.00 -0.44 0.00 0.00 34.13 33.37 1o8r s GLU 63 CO 0.31 0.50 1.94 -1.00 0.95 0.00 0.00 175.26 177.95 1o8r h PRO 64 N 4.24 0.00 0.00 -4.83 0.14 -1.91 -2.28 132.00 127.35 1o8r h PRO 64 Ca -0.49 0.00 -0.02 0.00 0.14 0.00 0.00 66.00 65.64 1o8r h PRO 64 Cb 1.16 0.00 -0.00 0.00 0.14 0.00 0.00 31.00 32.30 1o8r h PRO 64 CO 0.44 0.00 -0.08 -0.91 0.14 0.00 0.00 178.00 177.60 1o8r h ASN 65 N 0.00 0.00 -1.08 1.44 2.35 -1.95 -3.27 115.58 113.07 1o8r h ASN 65 Ca 0.00 0.00 0.31 0.00 -0.55 0.00 0.00 56.30 56.06 1o8r h ASN 65 Cb 0.17 0.00 -0.12 0.00 0.05 0.00 0.00 38.32 38.43 1o8r h ASN 65 CO 0.00 0.08 0.67 0.00 -1.65 0.00 0.00 177.43 176.53 1o8r h ALA 66 N 1.92 2.21 -0.81 -0.83 0.00 -1.50 0.60 119.26 120.85 1o8r h ALA 66 Ca -0.00 0.11 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 1o8r h ALA 66 Cb 1.02 0.09 -0.04 0.00 0.00 0.00 0.00 17.79 18.86 1o8r h ALA 66 CO 0.01 -0.72 0.47 1.96 0.00 0.00 0.00 179.25 180.97 1o8r h GLN 67 N 0.34 1.11 0.11 0.00 4.20 -1.79 0.68 115.11 119.76 1o8r h GLN 67 Ca 0.68 -0.11 -0.26 0.00 0.06 0.00 0.00 58.65 59.01 1o8r h GLN 67 Cb 1.72 -0.23 -0.00 0.00 0.30 0.00 0.00 27.48 29.27 1o8r h GLN 67 CO -0.42 0.79 -1.21 0.93 -0.67 0.00 0.00 178.83 178.26 1o8r h GLU 68 N 1.11 0.23 -0.00 1.46 5.08 -0.22 -3.19 114.58 119.05 1o8r h GLU 68 Ca 0.29 -0.39 -0.00 0.00 -1.00 0.00 0.00 59.36 58.26 1o8r h GLU 68 Cb -0.02 0.14 0.00 0.00 0.50 0.00 0.00 28.75 29.38 1o8r h GLU 68 CO -0.05 1.18 -0.00 0.82 -1.00 0.00 0.00 179.01 179.96 1o8r h ILE 69 N 0.06 1.52 -0.29 3.13 2.04 -0.16 -3.10 117.51 120.71 1o8r h ILE 69 Ca -0.12 -1.53 0.06 0.00 1.00 0.00 0.00 64.86 64.27 1o8r h ILE 69 Cb 1.94 2.56 -0.08 0.00 -0.74 0.00 0.00 36.82 40.50 1o8r h ILE 69 CO 0.19 0.40 -0.41 0.25 0.00 0.00 0.00 178.15 178.58 1o8r h LEU 70 N -0.65 -1.33 -0.58 1.44 7.12 0.24 0.57 115.31 122.12 1o8r h LEU 70 Ca -0.00 0.20 0.11 0.00 0.13 0.00 0.00 57.88 58.32 1o8r h LEU 70 Cb 0.65 0.57 -0.11 0.00 -0.53 0.00 0.00 40.66 41.24 1o8r h LEU 70 CO 0.00 -0.38 -0.22 1.56 -0.13 0.00 0.00 178.44 179.27 1o8r h GLN 71 N -0.38 -0.07 0.75 1.25 4.20 -1.64 0.12 115.11 119.34 1o8r h GLN 71 Ca 0.12 0.01 -0.03 0.00 0.06 0.00 0.00 58.65 58.80 1o8r h GLN 71 Cb 0.59 0.02 -0.00 0.00 0.30 0.00 0.00 27.48 28.39 1o8r h GLN 71 CO -0.50 -0.05 -0.45 0.00 -0.67 0.00 0.00 178.83 177.16 1o8r h ARG 72 N -0.08 -1.08 -0.55 1.46 3.08 -1.09 -1.21 114.38 114.91 1o8r h ARG 72 Ca 0.27 0.07 0.10 0.00 0.07 0.00 0.00 59.98 60.49 1o8r h ARG 72 Cb 0.49 0.25 -0.11 0.00 0.08 0.00 0.00 29.97 30.68 1o8r h ARG 72 CO -0.63 -0.72 -0.34 -0.07 -1.07 0.00 0.00 179.97 177.13 1o8r h LEU 73 N -1.12 -1.18 -0.86 3.04 3.38 -0.34 0.38 115.31 118.62 1o8r h LEU 73 Ca -0.10 0.22 0.17 0.00 0.09 0.00 0.00 57.88 58.26 1o8r h LEU 73 Cb 0.89 0.57 -0.10 0.00 0.09 0.00 0.00 40.66 42.11 1o8r h LEU 73 CO 0.11 -0.31 0.41 -0.33 0.09 0.00 0.00 178.44 178.41 1o8r h GLU 74 N -0.19 0.53 0.10 1.13 4.39 -0.63 1.33 114.58 121.24 1o8r h GLU 74 Ca 0.22 -0.03 -0.01 0.00 0.34 0.00 0.00 59.36 59.88 1o8r h GLU 74 Cb 0.55 -0.12 0.00 0.00 -0.10 0.00 0.00 28.75 29.08 1o8r h GLU 74 CO -0.65 0.35 -0.05 1.49 -1.16 0.00 0.00 179.01 178.99 1o8r h GLU 75 N 0.54 -0.13 -0.60 2.33 4.81 0.86 -2.13 114.58 120.26 1o8r h GLU 75 Ca 0.49 0.01 -0.08 0.00 -0.13 0.00 0.00 59.36 59.65 1o8r h GLU 75 Cb 0.77 0.03 -0.02 0.00 0.63 0.00 0.00 28.75 30.16 1o8r h GLU 75 CO -0.41 0.20 0.07 0.82 -0.73 0.00 0.00 179.01 178.95 1o8r h ILE 76 N -0.48 1.26 -0.68 2.32 2.04 0.16 -2.33 117.51 119.80 1o8r h ILE 76 Ca -0.01 -1.03 0.06 0.00 1.00 0.00 0.00 64.86 64.88 1o8r h ILE 76 Cb 0.39 0.72 -0.04 0.00 -0.74 0.00 0.00 36.82 37.15 1o8r h ILE 76 CO 0.02 0.38 0.45 0.00 0.00 0.00 0.00 178.15 179.00 1o8r h ALA 77 N 1.13 1.75 -0.67 1.87 0.00 0.18 -1.21 119.26 122.30 1o8r h ALA 77 Ca 0.18 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 55.03 1o8r h ALA 77 Cb 0.45 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 18.03 1o8r h ALA 77 CO 0.02 0.15 0.26 1.49 0.00 0.00 0.00 179.25 181.16 1o8r h GLU 78 N 0.69 1.00 -3.47 0.00 4.81 -0.81 -3.19 114.58 113.62 1o8r h GLU 78 Ca 0.29 -0.17 -0.08 0.00 -0.13 0.00 0.00 59.36 59.27 1o8r h GLU 78 Cb 0.27 -0.17 -0.15 0.00 0.63 0.00 0.00 28.75 29.33 1o8r h GLU 78 CO -0.09 0.82 -0.25 -0.51 -0.73 0.00 0.00 179.01 178.24 1o8r s ASP 79 N -6.46 -0.07 0.00 1.04 1.01 -0.46 -4.11 116.67 107.62 1o8r s ASP 79 Ca -0.11 -0.35 0.00 0.00 0.71 0.00 0.00 52.55 52.81 1o8r s ASP 79 Cb 0.16 0.37 0.00 0.00 1.01 0.00 0.00 42.92 44.46 1o8r s ASP 79 CO 0.81 -0.69 0.93 -2.65 0.21 0.00 0.00 175.17 173.79 1o8r n PRO 80 N 0.26 0.00 0.00 8.23 -0.01 -1.26 -4.52 135.00 137.71 1o8r n PRO 80 Ca -0.17 0.44 0.00 0.00 -0.01 0.00 0.00 63.50 63.76 1o8r n PRO 80 Cb 0.61 -1.43 0.00 0.00 -0.01 0.00 0.00 33.50 32.67 1o8r n PRO 80 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 175.50 175.90 1o8r n GLY 81 N -0.93 0.32 0.18 -1.23 0.00 -1.26 -3.47 105.19 98.79 1o8r n GLY 81 Ca 0.00 -0.96 0.07 0.00 0.00 0.00 0.00 46.02 45.13 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 -0.15 2.61 1.35 -1.96 -3.31 112.91 111.98 1o8r h THR 82 Ca 0.00 -1.63 0.04 0.00 -0.55 0.00 0.00 66.41 64.27 1o8r h THR 82 Cb 0.00 2.18 -0.05 0.00 -1.73 0.00 0.00 68.15 68.55 1o8r h THR 82 CO 0.00 0.28 -0.15 0.00 -0.25 0.00 0.00 175.52 175.40 1o8r h GLU 84 N -0.18 0.36 -0.72 0.00 4.81 -1.71 0.25 114.58 117.39 1o8r h GLU 84 Ca 0.10 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.31 1o8r h GLU 84 Cb 0.33 -0.08 0.00 0.00 0.63 0.00 0.00 28.75 29.62 1o8r h GLU 84 CO -0.25 0.24 0.00 0.44 -0.73 0.00 0.00 179.01 178.71 1o8r n ILE 85 N -4.46 1.15 -0.96 2.32 -5.35 -0.42 -4.91 119.36 106.73 1o8r n ILE 85 Ca 0.11 -1.04 0.00 0.00 -0.27 0.00 0.00 62.75 61.56 1o8r n ILE 85 Cb 0.45 0.43 0.00 0.00 -1.74 0.00 0.00 39.64 38.79 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 1.00 1.07 -2.23 0.00 0.00 -0.13 -4.64 120.51 115.59 1o8r n ALA 87 Ca 0.00 0.19 -0.13 0.00 0.00 0.00 0.00 53.44 53.50 1o8r n ALA 87 Cb 0.45 -1.31 -0.10 0.00 0.00 0.00 0.00 19.45 18.49 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 -3.51 1.15 -2.00 0.00 5.04 -1.24 -5.00 117.35 111.79 1o8r s TYR 88 Ca -0.02 -1.05 0.13 0.00 -2.44 0.00 0.00 57.07 53.69 1o8r s TYR 88 Cb 0.06 -0.66 0.79 0.00 0.35 0.00 0.00 41.96 42.51 1o8r s TYR 88 CO 0.20 -0.26 1.26 0.00 -1.34 0.00 0.00 175.55 175.41 1o8r n ALA 89 N -0.22 2.21 -0.17 3.97 0.00 -1.26 -3.42 120.51 121.62 1o8r n ALA 89 Ca -0.06 -0.08 -0.09 0.00 0.00 0.00 0.00 53.44 53.20 1o8r n ALA 89 Cb 0.63 -1.22 0.01 0.00 0.00 0.00 0.00 19.45 18.87 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 2.92 0.65 -2.62 0.00 0.00 -1.93 -3.41 119.26 114.88 1o8r h ALA 90 Ca 0.00 -0.21 -0.66 0.00 0.00 0.00 0.00 54.91 54.04 1o8r h ALA 90 Cb 0.00 -0.19 -0.17 0.00 0.00 0.00 0.00 17.79 17.43 1o8r h ALA 90 CO 0.00 0.35 -0.28 0.00 0.00 0.00 0.00 179.25 179.32 1o8r s THR 92 N 2.03 2.48 0.00 0.00 -4.23 0.02 -4.62 115.64 111.33 1o8r s THR 92 Ca 0.12 -1.39 0.00 0.00 -1.18 0.00 0.00 61.69 59.24 1o8r s THR 92 Cb -0.16 -2.88 0.00 0.00 1.34 0.00 0.00 72.50 70.80 1o8r s THR 92 CO 0.11 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.80 1o8r n GLY 93 N -1.55 2.94 0.60 3.99 0.00 -1.26 -2.14 105.19 107.77 1o8r n GLY 93 Ca 0.03 -0.03 0.13 0.00 0.00 0.00 0.00 46.02 46.15 1o8r n GLY 93 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32