#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2e47 n THR 6 N 0.00 2.65 -1.84 4.28 -2.24 -1.26 -4.92 114.28 110.95 2e47 n THR 6 Ca 0.00 -0.38 -0.33 0.00 -2.27 0.00 0.00 64.05 61.07 2e47 n THR 6 Cb 0.00 -1.03 0.04 0.00 -2.10 0.00 0.00 70.33 67.24 2e47 n THR 6 CO 0.00 0.00 0.00 -2.84 -0.57 0.00 0.00 175.07 171.66 2e47 s PRO 7 N -3.19 2.91 0.04 -0.78 0.02 -1.26 -4.93 135.00 127.80 2e47 s PRO 7 Ca 0.72 1.39 0.22 0.00 0.02 0.00 0.00 61.00 63.35 2e47 s PRO 7 Cb -0.35 -1.96 -0.23 0.00 0.02 0.00 0.00 34.50 31.98 2e47 s PRO 7 CO 0.52 -1.16 0.64 -1.13 -0.33 0.00 0.00 177.00 175.53 2e47 n SER 8 N -2.26 0.28 -3.94 2.53 3.41 -1.26 -4.91 113.62 107.46 2e47 n SER 8 Ca 0.10 0.11 -0.14 0.00 -0.26 0.00 0.00 58.87 58.69 2e47 n SER 8 Cb 0.52 1.44 -0.14 0.00 -0.26 0.00 0.00 64.21 65.77 2e47 n SER 8 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 2e47 s ARG 9 N -3.41 0.28 0.15 4.33 0.52 -1.26 -0.99 118.95 118.57 2e47 s ARG 9 Ca -0.06 -0.23 0.02 0.00 -0.52 0.00 0.00 55.73 54.95 2e47 s ARG 9 Cb 0.12 -0.21 -0.04 0.00 0.52 0.00 0.00 34.95 35.33 2e47 s ARG 9 CO 0.87 0.05 -0.03 0.00 0.02 0.00 0.00 175.30 176.21 2e47 s ALA 10 N -0.34 1.28 -0.02 2.13 0.00 0.86 -0.79 121.76 124.86 2e47 s ALA 10 Ca -0.02 -1.52 -0.05 0.00 0.00 0.00 0.00 51.96 50.37 2e47 s ALA 10 Cb -0.03 0.39 0.01 0.00 0.00 0.00 0.00 23.12 23.48 2e47 s ALA 10 CO -0.00 -0.27 0.12 -1.50 0.00 0.00 0.00 175.76 174.11 2e47 s ILE 11 N -3.60 0.04 -0.06 0.00 2.07 0.52 -0.15 121.20 120.02 2e47 s ILE 11 Ca 0.20 -0.35 0.05 0.00 -1.41 0.00 0.00 60.65 59.14 2e47 s ILE 11 Cb 0.05 -0.29 -0.00 0.00 0.13 0.00 0.00 42.46 42.36 2e47 s ILE 11 CO 0.01 -0.19 -0.20 0.00 -1.91 0.00 0.00 174.94 172.65 2e47 s ALA 12 N -0.62 1.81 -0.16 1.50 0.00 0.76 -0.24 121.76 124.80 2e47 s ALA 12 Ca -0.07 -0.82 -0.04 0.00 0.00 0.00 0.00 51.96 51.03 2e47 s ALA 12 Cb -0.04 -0.62 -0.03 0.00 0.00 0.00 0.00 23.12 22.43 2e47 s ALA 12 CO 0.01 0.30 -0.03 0.08 0.00 0.00 0.00 175.76 176.12 2e47 s VAL 13 N 0.11 3.95 -0.13 0.00 1.01 -1.26 -0.52 120.40 123.55 2e47 s VAL 13 Ca -0.08 -0.33 -0.06 0.00 0.00 0.00 0.00 61.98 61.51 2e47 s VAL 13 Cb -0.14 -2.74 -0.04 0.00 0.00 0.00 0.00 36.38 33.46 2e47 s VAL 13 CO 0.04 0.49 0.07 -0.76 0.00 0.00 0.00 175.10 174.94 2e47 s LEU 14 N 0.42 3.95 -0.28 3.92 1.02 -0.13 -4.16 118.68 123.43 2e47 s LEU 14 Ca -0.03 0.24 0.00 0.00 0.02 0.00 0.00 54.13 54.36 2e47 s LEU 14 Cb -0.14 -1.96 0.16 0.00 0.02 0.00 0.00 46.19 44.27 2e47 s LEU 14 CO 0.03 0.32 0.45 -0.55 0.02 0.00 0.00 176.35 176.62 2e47 s SER 15 N -0.50 -0.22 0.36 2.29 0.15 -1.25 -1.62 113.70 112.91 2e47 s SER 15 Ca 0.10 0.11 0.05 0.00 0.70 0.00 0.00 55.95 56.91 2e47 s SER 15 Cb -0.12 1.41 -0.03 0.00 -1.71 0.00 0.00 66.02 65.57 2e47 s SER 15 CO 0.02 -0.31 0.18 -0.89 1.20 0.00 0.00 173.24 173.44 2e47 s THR 16 N 2.63 0.34 0.53 6.45 2.01 0.19 -4.97 115.64 122.82 2e47 s THR 16 Ca 0.13 -2.00 0.30 0.00 0.31 0.00 0.00 61.69 60.43 2e47 s THR 16 Cb -0.14 -2.43 0.34 0.00 0.01 0.00 0.00 72.50 70.28 2e47 s THR 16 CO -0.23 0.00 2.20 -0.33 -0.69 0.00 0.00 174.62 175.57 2e47 h GLU 17 N 2.00 0.00 0.00 4.92 3.07 -2.01 -3.26 114.58 119.31 2e47 h GLU 17 Ca -0.32 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.54 2e47 h GLU 17 Cb 1.25 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.16 2e47 h GLU 17 CO 0.49 0.04 -1.07 0.25 -1.40 0.00 0.00 179.01 177.32 2e47 n THR 18 N -3.72 0.00 -5.16 1.13 -2.24 -1.26 -5.06 114.28 97.98 2e47 n THR 18 Ca -0.03 -0.06 -0.31 0.00 -2.27 0.00 0.00 64.05 61.38 2e47 n THR 18 Cb 0.14 0.47 -0.17 0.00 -2.10 0.00 0.00 70.33 68.66 2e47 n THR 18 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 2e47 s ILE 19 N -2.12 1.97 -0.02 2.28 1.01 -1.23 -4.33 121.20 118.76 2e47 s ILE 19 Ca -0.01 -0.97 0.00 0.00 0.00 0.00 0.00 60.65 59.68 2e47 s ILE 19 Cb 0.01 -1.71 0.02 0.00 0.01 0.00 0.00 42.46 40.79 2e47 s ILE 19 CO 0.09 0.54 -0.00 -0.13 0.00 0.00 0.00 174.94 175.44 2e47 s ARG 20 N 0.36 0.18 -0.06 2.79 0.52 -1.09 0.53 118.95 122.19 2e47 s ARG 20 Ca -0.18 0.05 -0.30 0.00 -0.52 0.00 0.00 55.73 54.77 2e47 s ARG 20 Cb -0.18 -0.32 0.11 0.00 0.52 0.00 0.00 34.95 35.09 2e47 s ARG 20 CO 0.08 -0.08 0.94 0.20 0.02 0.00 0.00 175.30 176.47 2e47 s GLY 21 N 0.64 -0.41 -0.04 -3.53 0.00 -0.64 -1.29 107.32 102.05 2e47 s GLY 21 Ca -0.06 1.28 0.04 0.00 0.00 0.00 0.00 44.72 45.99 2e47 s GLY 21 CO -0.01 0.50 -0.17 -1.31 0.00 0.00 0.00 173.10 172.11 2e47 s ASN 22 N -2.16 2.10 -0.15 1.64 0.01 -0.82 -0.95 114.94 114.61 2e47 s ASN 22 Ca 0.04 -0.34 0.00 0.00 -0.71 0.00 0.00 52.86 51.85 2e47 s ASN 22 Cb -0.01 -0.52 0.02 0.00 0.41 0.00 0.00 41.25 41.16 2e47 s ASN 22 CO -0.06 0.16 -0.13 -0.63 -1.51 0.00 0.00 177.10 174.93 2e47 s ILE 23 N -0.04 1.50 0.11 0.60 1.09 0.32 -2.39 121.20 122.39 2e47 s ILE 23 Ca -0.02 -0.62 0.06 0.00 -1.10 0.00 0.00 60.65 58.97 2e47 s ILE 23 Cb -0.10 -1.43 -0.04 0.00 -1.06 0.00 0.00 42.46 39.82 2e47 s ILE 23 CO 0.02 0.42 -0.01 0.42 -0.10 0.00 0.00 174.94 175.68 2e47 s THR 24 N 1.51 3.87 -0.09 2.92 -4.23 0.58 -0.17 115.64 120.03 2e47 s THR 24 Ca 0.04 -1.13 0.00 0.00 -1.18 0.00 0.00 61.69 59.43 2e47 s THR 24 Cb -0.13 -2.87 0.02 0.00 1.34 0.00 0.00 72.50 70.87 2e47 s THR 24 CO -0.10 0.06 -0.08 -0.36 -0.54 0.00 0.00 174.62 173.60 2e47 s PHE 25 N -1.40 1.35 -0.09 3.99 0.08 0.79 -1.40 117.98 121.30 2e47 s PHE 25 Ca 0.26 -0.59 0.02 0.00 0.12 0.00 0.00 56.93 56.73 2e47 s PHE 25 Cb -0.11 -1.10 0.01 0.00 -0.57 0.00 0.00 43.02 41.25 2e47 s PHE 25 CO 0.18 -0.40 -0.14 -0.08 -0.10 0.00 0.00 175.22 174.68 2e47 s THR 26 N 1.35 1.32 -0.30 0.64 -1.32 -0.29 -0.10 115.64 116.95 2e47 s THR 26 Ca -0.02 -0.56 -0.29 0.00 -1.21 0.00 0.00 61.69 59.61 2e47 s THR 26 Cb -0.14 -1.21 0.01 0.00 -1.51 0.00 0.00 72.50 69.65 2e47 s THR 26 CO -0.04 0.40 1.17 -1.58 -2.21 0.00 0.00 174.62 172.36 2e47 s GLN 27 N 0.83 4.04 0.00 7.08 2.00 -0.16 -0.76 119.66 132.68 2e47 s GLN 27 Ca -0.11 1.20 0.00 0.00 -2.00 0.00 0.00 55.36 54.45 2e47 s GLN 27 Cb -0.15 -3.79 0.00 0.00 0.80 0.00 0.00 33.01 29.87 2e47 s GLN 27 CO 0.01 -0.95 0.00 1.33 -0.50 0.00 0.00 175.29 175.18 2e47 n VAL 28 N 5.93 0.00 0.00 1.34 0.24 0.24 -4.96 118.33 121.12 2e47 n VAL 28 Ca 0.13 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.43 2e47 n VAL 28 Cb 0.47 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.84 2e47 n VAL 28 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2e47 n GLN 29 N 0.00 0.00 -2.10 7.34 1.13 -1.26 -4.13 117.38 118.36 2e47 n GLN 29 Ca 0.00 0.00 -0.41 0.00 -1.94 0.00 0.00 57.00 54.65 2e47 n GLN 29 Cb 0.00 0.00 -0.01 0.00 0.11 0.00 0.00 30.24 30.34 2e47 n GLN 29 CO 0.00 0.00 0.00 -3.47 -1.44 0.00 0.00 177.06 172.15 2e47 n ASP 30 N 0.00 4.15 -3.69 1.08 4.64 -1.26 -4.39 116.55 117.09 2e47 n ASP 30 Ca 0.00 -2.85 -0.21 0.00 -1.38 0.00 0.00 54.79 50.35 2e47 n ASP 30 Cb 0.00 -1.66 0.04 0.00 -1.04 0.00 0.00 41.12 38.46 2e47 n ASP 30 CO 0.00 0.00 0.00 0.61 -0.82 0.00 0.00 177.20 176.99 2e47 n GLY 31 N 4.91 -0.31 3.31 0.27 0.00 -1.26 -5.03 105.19 107.08 2e47 n GLY 31 Ca 0.50 0.13 -0.27 0.00 0.00 0.00 0.00 46.02 46.37 2e47 n GLY 31 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2e47 s LYS 32 N -5.96 1.47 -0.14 1.61 1.02 -1.26 -4.69 119.74 111.78 2e47 s LYS 32 Ca 0.05 -1.12 -0.02 0.00 0.02 0.00 0.00 55.97 54.91 2e47 s LYS 32 Cb -0.03 -1.71 -0.02 0.00 -0.52 0.00 0.00 37.83 35.55 2e47 s LYS 32 CO 0.80 0.43 -0.09 0.08 -0.92 0.00 0.00 175.35 175.65 2e47 s VAL 33 N -0.92 3.40 -0.34 3.17 1.01 0.38 0.79 120.40 127.89 2e47 s VAL 33 Ca 0.10 -0.53 -0.17 0.00 0.00 0.00 0.00 61.98 61.38 2e47 s VAL 33 Cb -0.10 -2.46 -0.01 0.00 0.00 0.00 0.00 36.38 33.81 2e47 s VAL 33 CO 0.03 0.51 0.45 -2.28 0.00 0.00 0.00 175.10 173.81 2e47 s HIS 34 N 0.40 3.20 -0.26 5.22 2.46 0.06 -0.90 115.29 125.47 2e47 s HIS 34 Ca -0.08 0.13 -0.09 0.00 0.47 0.00 0.00 55.06 55.49 2e47 s HIS 34 Cb -0.15 -2.80 -0.04 0.00 -0.13 0.00 0.00 32.58 29.46 2e47 s HIS 34 CO 0.04 -0.47 0.13 0.08 -2.47 0.00 0.00 174.74 172.05 2e47 s VAL 35 N 2.22 4.87 0.12 0.89 1.01 0.26 -1.13 120.40 128.64 2e47 s VAL 35 Ca 0.16 0.02 0.05 0.00 0.00 0.00 0.00 61.98 62.20 2e47 s VAL 35 Cb -0.16 -3.29 -0.04 0.00 0.00 0.00 0.00 36.38 32.89 2e47 s VAL 35 CO 0.12 0.31 -0.12 -1.10 0.00 0.00 0.00 175.10 174.32 2e47 s GLN 36 N 1.52 0.96 0.00 2.72 -0.21 -0.49 -0.61 119.66 123.55 2e47 s GLN 36 Ca 0.06 -1.23 0.00 0.00 0.02 0.00 0.00 55.36 54.21 2e47 s GLN 36 Cb -0.15 -0.72 0.00 0.00 1.00 0.00 0.00 33.01 33.14 2e47 s GLN 36 CO 0.07 0.12 0.00 0.41 -2.12 0.00 0.00 175.29 173.77 2e47 n GLY 37 N 0.45 0.32 3.09 3.09 0.00 -0.51 -0.31 105.19 111.32 2e47 n GLY 37 Ca -0.15 -1.02 -0.12 0.00 0.00 0.00 0.00 46.02 44.73 2e47 n GLY 37 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2e47 s GLY 38 N 0.00 -0.11 0.02 -0.02 0.00 -1.01 -0.13 107.32 106.07 2e47 s GLY 38 Ca 0.00 0.41 0.03 0.00 0.00 0.00 0.00 44.72 45.16 2e47 s GLY 38 CO 0.00 0.31 -0.09 -0.42 0.00 0.00 0.00 173.10 172.91 2e47 s ILE 39 N -0.25 0.67 0.17 0.90 1.01 -0.10 -1.93 121.20 121.67 2e47 s ILE 39 Ca -0.03 -0.68 0.09 0.00 0.00 0.00 0.00 60.65 60.02 2e47 s ILE 39 Cb -0.03 -0.63 -0.04 0.00 0.01 0.00 0.00 42.46 41.77 2e47 s ILE 39 CO 0.01 -0.04 -0.12 0.42 0.00 0.00 0.00 174.94 175.21 2e47 s THR 40 N -0.67 3.08 0.00 2.92 -4.23 -0.41 0.38 115.64 116.71 2e47 s THR 40 Ca -0.01 -1.66 0.00 0.00 -1.18 0.00 0.00 61.69 58.83 2e47 s THR 40 Cb -0.06 -2.51 0.00 0.00 1.34 0.00 0.00 72.50 71.27 2e47 s THR 40 CO 0.00 -0.08 0.00 0.61 -0.54 0.00 0.00 174.62 174.61 2e47 n GLY 41 N 0.16 -0.22 3.38 3.99 0.00 -0.80 -2.67 105.19 109.04 2e47 n GLY 41 Ca -0.11 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.61 2e47 n GLY 41 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2e47 s LEU 42 N 0.00 2.32 0.93 0.99 1.43 -1.26 -4.78 118.68 118.31 2e47 s LEU 42 Ca 0.00 -0.60 -0.11 0.00 -1.03 0.00 0.00 54.13 52.39 2e47 s LEU 42 Cb 0.00 -1.33 0.10 0.00 0.03 0.00 0.00 46.19 44.99 2e47 s LEU 42 CO 0.00 0.23 0.84 -0.81 0.23 0.00 0.00 176.35 176.84 2e47 n PRO 43 N 1.47 -0.39 -1.67 1.29 -0.04 -1.26 -4.31 135.00 130.09 2e47 n PRO 43 Ca -0.17 -0.06 -0.43 0.00 -0.04 0.00 0.00 63.50 62.80 2e47 n PRO 43 Cb 0.52 -2.16 -0.01 0.00 -0.04 0.00 0.00 33.50 31.81 2e47 n PRO 43 CO 0.00 0.00 0.00 -2.30 -0.04 0.00 0.00 175.50 173.16 2e47 n PRO 44 N -3.17 1.95 -1.30 0.54 -0.02 -1.25 -4.66 135.00 127.09 2e47 n PRO 44 Ca 0.10 0.68 0.00 0.00 -2.02 0.00 0.00 63.50 62.26 2e47 n PRO 44 Cb 0.53 -2.24 0.00 0.00 -0.02 0.00 0.00 33.50 31.77 2e47 n PRO 44 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2e47 n GLY 45 N 1.16 0.10 3.53 -1.23 0.00 -0.50 -4.92 105.19 103.33 2e47 n GLY 45 Ca 0.07 -1.71 -0.33 0.00 0.00 0.00 0.00 46.02 44.06 2e47 n GLY 45 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2e47 s GLU 46 N -1.82 2.54 -0.02 1.61 2.02 -1.26 -0.61 118.70 121.17 2e47 s GLU 46 Ca 0.00 -0.68 -0.00 0.00 0.02 0.00 0.00 54.97 54.31 2e47 s GLU 46 Cb 0.00 -2.44 0.02 0.00 0.10 0.00 0.00 34.13 31.81 2e47 s GLU 46 CO 0.00 0.63 0.03 0.71 0.02 0.00 0.00 175.26 176.64 2e47 s TYR 47 N -0.82 0.01 0.25 1.61 1.51 -0.07 -2.67 117.35 117.19 2e47 s TYR 47 Ca 0.13 0.11 -0.31 0.00 -1.01 0.00 0.00 57.07 55.99 2e47 s TYR 47 Cb -0.11 -0.17 -0.13 0.00 -0.11 0.00 0.00 41.96 41.44 2e47 s TYR 47 CO 0.02 -0.07 1.49 0.41 -1.11 0.00 0.00 175.55 176.29 2e47 n GLY 48 N 3.90 1.01 2.74 0.71 0.00 0.93 -0.64 105.19 113.83 2e47 n GLY 48 Ca -0.24 0.49 -0.25 0.00 0.00 0.00 0.00 46.02 46.02 2e47 n GLY 48 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2e47 s PHE 49 N 0.04 0.78 0.06 1.61 5.99 -0.31 -0.62 117.98 125.53 2e47 s PHE 49 Ca 0.67 -0.50 0.01 0.00 0.00 0.00 0.00 56.93 57.11 2e47 s PHE 49 Cb -0.59 -0.89 -0.04 0.00 0.00 0.00 0.00 43.02 41.50 2e47 s PHE 49 CO 0.48 -0.48 -0.05 -1.01 -0.00 0.00 0.00 175.22 174.17 2e47 s HIS 50 N 1.94 0.65 -0.26 10.12 3.76 -0.78 -3.18 115.29 127.53 2e47 s HIS 50 Ca 0.02 -0.85 -0.17 0.00 -0.15 0.00 0.00 55.06 53.90 2e47 s HIS 50 Cb -0.15 -0.41 -0.03 0.00 1.11 0.00 0.00 32.58 33.10 2e47 s HIS 50 CO -0.07 -0.22 0.49 0.08 -0.85 0.00 0.00 174.74 174.17 2e47 s VAL 51 N -3.09 5.09 0.36 -0.90 1.01 -0.44 -1.01 120.40 121.42 2e47 s VAL 51 Ca 0.03 0.83 0.04 0.00 0.00 0.00 0.00 61.98 62.88 2e47 s VAL 51 Cb 0.02 -3.81 -0.01 0.00 0.00 0.00 0.00 36.38 32.58 2e47 s VAL 51 CO -0.05 0.10 0.53 -1.00 0.00 0.00 0.00 175.10 174.68 2e47 s HIS 52 N 2.27 3.23 0.24 5.22 3.76 0.11 -0.24 115.29 129.89 2e47 s HIS 52 Ca 0.20 0.01 -0.00 0.00 -0.15 0.00 0.00 55.06 55.12 2e47 s HIS 52 Cb -0.16 -2.04 0.28 0.00 1.11 0.00 0.00 32.58 31.77 2e47 s HIS 52 CO 0.09 -0.06 1.64 1.49 -0.85 0.00 0.00 174.74 177.05 2e47 h GLU 53 N 0.74 0.56 -6.35 1.40 4.81 -0.60 -3.06 114.58 112.08 2e47 h GLU 53 Ca -0.47 -0.25 -0.69 0.00 -0.13 0.00 0.00 59.36 57.82 2e47 h GLU 53 Cb 1.25 -0.01 -0.22 0.00 0.63 0.00 0.00 28.75 30.40 2e47 h GLU 53 CO 0.56 0.81 -0.76 0.15 -0.73 0.00 0.00 179.01 179.05 2e47 s LYS 54 N -4.37 2.46 -0.79 1.92 -0.14 0.12 -4.75 119.74 114.18 2e47 s LYS 54 Ca -0.07 -0.74 -0.01 0.00 -1.36 0.00 0.00 55.97 53.79 2e47 s LYS 54 Cb 0.13 -2.38 0.36 0.00 -1.68 0.00 0.00 37.83 34.26 2e47 s LYS 54 CO 0.81 0.61 1.89 0.41 -0.76 0.00 0.00 175.35 178.31 2e47 n GLY 55 N 2.05 5.61 3.25 -3.33 0.00 -0.97 -3.38 105.19 108.41 2e47 n GLY 55 Ca -0.17 -2.53 -0.38 0.00 0.00 0.00 0.00 46.02 42.95 2e47 n GLY 55 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2e47 s ASP 56 N -1.45 5.39 0.00 1.61 -1.08 -1.26 -4.95 116.67 114.93 2e47 s ASP 56 Ca 0.51 -1.37 0.22 0.00 -0.52 0.00 0.00 52.55 51.39 2e47 s ASP 56 Cb 0.43 -1.89 0.63 0.00 -1.46 0.00 0.00 42.92 40.63 2e47 s ASP 56 CO -0.38 -0.42 1.53 0.18 0.52 0.00 0.00 175.17 176.60 2e47 n LEU 57 N 4.81 3.92 0.20 -1.34 4.32 -1.26 -3.03 117.00 124.62 2e47 n LEU 57 Ca -0.10 -1.99 0.04 0.00 -0.02 0.00 0.00 56.01 53.94 2e47 n LEU 57 Cb 0.44 -0.48 0.43 0.00 -1.62 0.00 0.00 43.42 42.19 2e47 n LEU 57 CO 0.34 0.98 0.78 0.77 -1.22 0.00 0.00 177.39 179.04 2e47 h SER 58 N 4.24 0.00 -0.74 -1.43 4.64 -1.93 -0.39 113.55 117.94 2e47 h SER 58 Ca 0.00 0.00 -0.34 0.00 -0.47 0.00 0.00 61.79 60.98 2e47 h SER 58 Cb 0.98 0.00 -0.20 0.00 -0.31 0.00 0.00 62.40 62.87 2e47 h SER 58 CO 0.00 0.31 0.35 0.61 -0.87 0.00 0.00 176.83 177.23 2e47 n GLY 59 N -0.54 4.38 7.00 -0.77 0.00 -1.26 -5.06 105.19 108.94 2e47 n GLY 59 Ca -0.02 -1.10 0.00 0.00 0.00 0.00 0.00 46.02 44.90 2e47 n GLY 59 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2e47 n GLY 60 N -0.87 -0.06 0.26 -0.02 0.00 -0.16 -3.82 105.19 100.51 2e47 n GLY 60 Ca 0.47 -0.98 0.11 0.00 0.00 0.00 0.00 46.02 45.62 2e47 n GLY 60 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2e47 h LEU 62 N 0.00 1.02 0.00 0.00 7.12 -1.91 -2.90 115.31 118.64 2e47 h LEU 62 Ca -0.00 -0.09 0.00 0.00 0.13 0.00 0.00 57.88 57.92 2e47 h LEU 62 Cb 0.30 -0.26 0.00 0.00 -0.53 0.00 0.00 40.66 40.17 2e47 h LEU 62 CO 0.02 0.82 0.00 -1.54 -0.13 0.00 0.00 178.44 177.61 2e47 n SER 63 N -4.34 0.00 0.00 1.25 3.41 -1.18 -2.88 113.62 109.88 2e47 n SER 63 Ca 0.09 -0.31 0.09 0.00 -0.26 0.00 0.00 58.87 58.47 2e47 n SER 63 Cb 0.10 -0.13 0.45 0.00 -0.26 0.00 0.00 64.21 64.37 2e47 n SER 63 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 2e47 n THR 64 N -1.13 0.48 -3.50 6.66 -2.24 -1.09 -4.38 114.28 109.09 2e47 n THR 64 Ca 0.11 0.12 0.00 0.00 -2.27 0.00 0.00 64.05 62.01 2e47 n THR 64 Cb 0.10 -0.82 0.00 0.00 -2.10 0.00 0.00 70.33 67.50 2e47 n THR 64 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2e47 n GLY 65 N 0.23 -0.82 1.64 3.38 0.00 -1.14 -0.70 105.19 107.78 2e47 n GLY 65 Ca 0.08 -1.28 -0.10 0.00 0.00 0.00 0.00 46.02 44.72 2e47 n GLY 65 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2e47 n SER 66 N 0.54 1.39 -4.70 1.61 3.41 -1.26 -4.76 113.62 109.85 2e47 n SER 66 Ca 0.00 -1.74 -0.42 0.00 -0.26 0.00 0.00 58.87 56.45 2e47 n SER 66 Cb 0.00 -0.09 0.00 0.00 -0.26 0.00 0.00 64.21 63.87 2e47 n SER 66 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 2e47 n HIS 67 N -1.25 2.20 -2.15 7.33 8.25 -1.26 -0.69 115.22 127.64 2e47 n HIS 67 Ca 0.02 0.52 -0.42 0.00 -0.26 0.00 0.00 57.72 57.58 2e47 n HIS 67 Cb 0.26 -2.39 -0.03 0.00 1.12 0.00 0.00 29.99 28.95 2e47 n HIS 67 CO 0.00 0.00 0.00 0.12 0.64 0.00 0.00 176.34 177.10 2e47 s PHE 68 N -1.16 2.95 -0.41 4.41 5.36 0.67 -4.53 117.98 125.28 2e47 s PHE 68 Ca 0.58 0.79 0.09 0.00 -0.96 0.00 0.00 56.93 57.44 2e47 s PHE 68 Cb -0.53 -3.72 0.34 0.00 -0.34 0.00 0.00 43.02 38.77 2e47 s PHE 68 CO 0.60 -2.65 0.96 -1.71 -1.46 0.00 0.00 175.22 170.96 2e47 n ASN 69 N 4.82 -0.77 0.26 6.13 4.05 -1.26 -0.97 115.26 127.51 2e47 n ASN 69 Ca 0.13 -3.29 0.14 0.00 0.45 0.00 0.00 54.58 52.01 2e47 n ASN 69 Cb 0.43 0.67 0.65 0.00 1.23 0.00 0.00 39.78 42.75 2e47 n ASN 69 CO 0.00 0.00 0.00 1.55 -3.05 0.00 0.00 177.26 175.76 2e47 h PRO 70 N 2.94 0.00 -0.01 1.20 0.13 -1.91 -2.52 132.00 131.84 2e47 h PRO 70 Ca -0.02 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.11 2e47 h PRO 70 Cb 1.06 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.19 2e47 h PRO 70 CO 0.30 0.12 -0.04 0.39 -0.23 0.00 0.00 178.00 178.53 2e47 n GLU 71 N -3.35 1.33 -3.81 0.86 4.71 -1.26 -4.97 120.64 114.15 2e47 n GLU 71 Ca -0.00 -0.64 -0.26 0.00 -0.01 0.00 0.00 57.16 56.24 2e47 n GLU 71 Cb 0.32 -1.49 0.01 0.00 -1.01 0.00 0.00 31.44 29.27 2e47 n GLU 71 CO 0.00 0.00 0.00 0.72 0.09 0.00 0.00 177.13 177.94 2e47 n HIS 72 N -0.27 -1.79 -3.31 -0.32 8.25 -0.95 -5.02 115.22 111.81 2e47 n HIS 72 Ca 0.19 0.69 -0.22 0.00 -0.26 0.00 0.00 57.72 58.11 2e47 n HIS 72 Cb 0.30 -3.82 0.05 0.00 1.12 0.00 0.00 29.99 27.63 2e47 n HIS 72 CO 0.00 0.00 0.00 0.15 0.64 0.00 0.00 176.34 177.13 2e47 s LYS 73 N -6.23 2.24 0.51 -0.41 1.02 -1.26 -5.13 119.74 110.49 2e47 s LYS 73 Ca 0.14 -1.80 -0.01 0.00 0.02 0.00 0.00 55.97 54.31 2e47 s LYS 73 Cb -0.05 -2.46 0.01 0.00 -0.52 0.00 0.00 37.83 34.81 2e47 s LYS 73 CO 0.86 -0.85 0.75 -0.51 -0.92 0.00 0.00 175.35 174.69 2e47 s ASP 74 N -4.58 5.62 0.15 2.83 1.01 -1.26 -4.74 116.67 115.69 2e47 s ASP 74 Ca 0.53 0.31 -0.31 0.00 0.71 0.00 0.00 52.55 53.79 2e47 s ASP 74 Cb -0.04 -1.40 -0.10 0.00 1.01 0.00 0.00 42.92 42.39 2e47 s ASP 74 CO 0.34 -0.91 1.57 -2.28 0.21 0.00 0.00 175.17 174.10 2e47 s HIS 75 N -2.71 2.97 0.00 4.23 5.65 -0.04 -3.03 115.29 122.35 2e47 s HIS 75 Ca 0.52 0.59 0.00 0.00 0.25 0.00 0.00 55.06 56.42 2e47 s HIS 75 Cb -0.10 -3.92 0.00 0.00 -1.18 0.00 0.00 32.58 27.38 2e47 s HIS 75 CO 0.40 -3.44 0.00 0.41 -0.65 0.00 0.00 174.74 171.45 2e47 n GLY 76 N 3.78 4.17 3.85 1.59 0.00 -1.25 -4.19 105.19 113.15 2e47 n GLY 76 Ca 0.14 -1.12 -0.35 0.00 0.00 0.00 0.00 46.02 44.69 2e47 n GLY 76 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 2e47 s HIS 77 N -1.95 3.60 0.64 1.61 2.46 -1.24 -4.71 115.29 115.70 2e47 s HIS 77 Ca 0.00 0.92 0.30 0.00 0.47 0.00 0.00 55.06 56.75 2e47 s HIS 77 Cb 0.00 -2.26 1.63 0.00 -0.13 0.00 0.00 32.58 31.82 2e47 s HIS 77 CO 0.00 0.49 1.95 -1.00 -2.47 0.00 0.00 174.74 173.70 2e47 h PRO 78 N 3.71 0.00 -0.00 2.88 0.13 -1.90 0.20 132.00 137.02 2e47 h PRO 78 Ca -0.49 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 2e47 h PRO 78 Cb 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 2e47 h PRO 78 CO 0.66 0.00 -0.09 0.09 -0.23 0.00 0.00 178.00 178.43 2e47 n ASN 79 N -3.14 0.12 -4.80 1.44 3.02 -1.26 -4.89 115.26 105.76 2e47 n ASN 79 Ca 0.00 0.20 -0.34 0.00 -0.03 0.00 0.00 54.58 54.41 2e47 n ASN 79 Cb 0.42 -0.31 -0.05 0.00 -0.61 0.00 0.00 39.78 39.23 2e47 n ASN 79 CO 0.00 0.00 0.00 -1.81 -2.62 0.00 0.00 177.26 172.83 2e47 s ASP 80 N -2.90 6.71 0.09 6.41 -0.00 0.72 -4.98 116.67 122.71 2e47 s ASP 80 Ca 0.17 1.85 -0.15 0.00 -0.00 0.00 0.00 52.55 54.41 2e47 s ASP 80 Cb 0.19 -2.56 -0.09 0.00 -0.00 0.00 0.00 42.92 40.46 2e47 s ASP 80 CO 0.54 -0.53 1.41 0.58 -0.00 0.00 0.00 175.17 177.18 2e47 h VAL 81 N 1.86 1.31 -2.17 -1.27 2.07 -1.90 -3.38 116.25 112.77 2e47 h VAL 81 Ca -0.49 -1.44 -0.69 0.00 0.82 0.00 0.00 66.70 64.90 2e47 h VAL 81 Cb 1.20 1.61 -0.16 0.00 -1.52 0.00 0.00 31.29 32.41 2e47 h VAL 81 CO 0.61 0.46 1.03 0.21 0.02 0.00 0.00 177.57 179.90 2e47 s ASN 82 N -6.51 6.68 0.15 0.57 3.04 -1.26 -4.95 114.94 112.66 2e47 s ASN 82 Ca -0.12 -2.13 -0.10 0.00 0.04 0.00 0.00 52.86 50.55 2e47 s ASN 82 Cb 0.08 -2.42 -0.00 0.00 -1.54 0.00 0.00 41.25 37.37 2e47 s ASN 82 CO 0.82 -1.07 0.31 0.00 -3.04 0.00 0.00 177.10 174.12 2e47 s ARG 83 N 2.84 1.13 0.42 0.43 1.70 -1.20 -3.88 118.95 120.39 2e47 s ARG 83 Ca 0.36 -1.07 -0.24 0.00 -0.47 0.00 0.00 55.73 54.31 2e47 s ARG 83 Cb -0.04 0.40 -0.09 0.00 -0.57 0.00 0.00 34.95 34.65 2e47 s ARG 83 CO -0.08 -0.42 1.08 -1.01 -1.08 0.00 0.00 175.30 173.80 2e47 s HIS 84 N -3.93 3.16 0.39 5.89 3.76 -1.17 -4.62 115.29 118.77 2e47 s HIS 84 Ca 0.13 1.61 0.15 0.00 -0.15 0.00 0.00 55.06 56.81 2e47 s HIS 84 Cb 0.03 -3.19 1.01 0.00 1.11 0.00 0.00 32.58 31.53 2e47 s HIS 84 CO -0.03 -0.87 1.82 0.28 -0.85 0.00 0.00 174.74 175.09 2e47 h VAL 85 N 2.10 0.65 -0.31 -0.90 2.07 -1.81 -1.88 116.25 116.18 2e47 h VAL 85 Ca -0.49 -0.17 0.00 0.00 0.82 0.00 0.00 66.70 66.87 2e47 h VAL 85 Cb 1.22 0.12 0.00 0.00 -1.52 0.00 0.00 31.29 31.11 2e47 h VAL 85 CO 0.62 0.09 0.00 0.61 0.02 0.00 0.00 177.57 178.91 2e47 n GLY 86 N -1.47 1.01 3.56 2.17 0.00 -0.15 -4.39 105.19 105.92 2e47 n GLY 86 Ca 0.22 -0.37 -0.42 0.00 0.00 0.00 0.00 46.02 45.44 2e47 n GLY 86 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2e47 s ASP 87 N -0.80 6.37 0.00 1.61 1.01 -0.71 -1.33 116.67 122.82 2e47 s ASP 87 Ca 0.22 -0.13 0.15 0.00 0.71 0.00 0.00 52.55 53.50 2e47 s ASP 87 Cb 0.13 -2.52 0.28 0.00 1.01 0.00 0.00 42.92 41.82 2e47 s ASP 87 CO 0.12 -1.46 1.17 0.18 0.21 0.00 0.00 175.17 175.40 2e47 n LEU 88 N 8.28 2.79 0.00 1.23 4.77 -1.19 -4.23 117.00 128.64 2e47 n LEU 88 Ca 0.06 -1.53 0.00 0.00 -0.03 0.00 0.00 56.01 54.50 2e47 n LEU 88 Cb 0.48 -0.17 0.00 0.00 -2.33 0.00 0.00 43.42 41.41 2e47 n LEU 88 CO 0.69 0.62 0.00 0.61 -1.33 0.00 0.00 177.39 177.98 2e47 n GLY 89 N 0.86 0.70 3.47 -0.72 0.00 -1.23 -4.85 105.19 103.42 2e47 n GLY 89 Ca 0.12 -1.26 -0.28 0.00 0.00 0.00 0.00 46.02 44.60 2e47 n GLY 89 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2e47 s ASN 90 N -4.00 3.76 0.22 1.61 0.02 -1.26 -1.16 114.94 114.13 2e47 s ASN 90 Ca 0.00 -0.65 0.05 0.00 -1.02 0.00 0.00 52.86 51.24 2e47 s ASN 90 Cb 0.00 -0.46 -0.03 0.00 0.02 0.00 0.00 41.25 40.77 2e47 s ASN 90 CO 0.00 0.16 0.29 0.68 0.02 0.00 0.00 177.10 178.25 2e47 s VAL 91 N -1.31 5.01 -0.15 1.60 -7.23 0.19 -4.86 120.40 113.65 2e47 s VAL 91 Ca 0.19 -1.06 0.01 0.00 -1.81 0.00 0.00 61.98 59.31 2e47 s VAL 91 Cb -0.10 -3.69 -0.00 0.00 0.56 0.00 0.00 36.38 33.15 2e47 s VAL 91 CO 0.10 -0.28 -0.16 -0.69 -0.31 0.00 0.00 175.10 173.75 2e47 s VAL 92 N -1.97 2.57 -0.19 1.32 1.01 -1.26 -0.89 120.40 121.00 2e47 s VAL 92 Ca 0.34 -0.80 -0.09 0.00 0.00 0.00 0.00 61.98 61.42 2e47 s VAL 92 Cb -0.09 -2.08 -0.05 0.00 0.00 0.00 0.00 36.38 34.17 2e47 s VAL 92 CO 0.28 0.52 0.10 -0.36 0.00 0.00 0.00 175.10 175.64 2e47 s PHE 93 N 0.81 3.35 0.28 5.22 0.08 0.22 -4.22 117.98 123.71 2e47 s PHE 93 Ca -0.06 0.23 -0.03 0.00 0.12 0.00 0.00 56.93 57.19 2e47 s PHE 93 Cb -0.15 -2.11 0.06 0.00 -0.57 0.00 0.00 43.02 40.24 2e47 s PHE 93 CO -0.00 0.25 0.38 -0.40 -0.10 0.00 0.00 175.22 175.35 2e47 n ASP 94 N 3.46 0.20 0.13 1.36 3.85 0.99 -1.41 116.55 125.12 2e47 n ASP 94 Ca -0.16 -1.24 0.13 0.00 -0.71 0.00 0.00 54.79 52.80 2e47 n ASP 94 Cb 0.52 -0.27 0.47 0.00 -1.35 0.00 0.00 41.12 40.48 2e47 n ASP 94 CO 0.00 0.00 0.00 1.05 -1.01 0.00 0.00 177.20 177.24 2e47 h GLU 95 N 0.00 0.00 -0.69 0.11 9.09 -1.97 -0.70 114.58 120.43 2e47 h GLU 95 Ca -0.12 0.00 -0.02 0.00 0.05 0.00 0.00 59.36 59.27 2e47 h GLU 95 Cb 0.38 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 27.47 2e47 h GLU 95 CO 0.10 0.00 0.02 0.09 0.05 0.00 0.00 179.01 179.28 2e47 n ASN 96 N -2.30 4.71 -3.86 3.06 3.02 -1.26 -4.84 115.26 113.78 2e47 n ASN 96 Ca 0.03 -2.76 -0.28 0.00 -0.03 0.00 0.00 54.58 51.54 2e47 n ASN 96 Cb 0.31 -0.65 0.03 0.00 -0.61 0.00 0.00 39.78 38.85 2e47 n ASN 96 CO 0.00 0.00 0.00 1.41 -2.62 0.00 0.00 177.26 176.05 2e47 n HIS 97 N 0.44 -2.28 -5.05 3.10 8.25 -0.27 -4.93 115.22 114.47 2e47 n HIS 97 Ca 0.23 0.90 -0.28 0.00 -0.26 0.00 0.00 57.72 58.31 2e47 n HIS 97 Cb 1.02 -4.12 -0.16 0.00 1.12 0.00 0.00 29.99 27.86 2e47 n HIS 97 CO 0.00 0.00 0.00 -0.47 0.64 0.00 0.00 176.34 176.51 2e47 s TYR 98 N -3.37 2.01 -0.13 4.41 5.04 -1.25 -1.91 117.35 122.15 2e47 s TYR 98 Ca 0.54 -0.38 0.02 0.00 -2.44 0.00 0.00 57.07 54.81 2e47 s TYR 98 Cb -0.27 -1.28 0.01 0.00 0.35 0.00 0.00 41.96 40.78 2e47 s TYR 98 CO 0.82 -0.01 -0.18 0.45 -1.34 0.00 0.00 175.55 175.29 2e47 s SER 99 N -0.63 2.75 -0.13 4.32 0.15 0.16 -0.01 113.70 120.32 2e47 s SER 99 Ca 0.09 -0.51 -0.12 0.00 0.70 0.00 0.00 55.95 56.11 2e47 s SER 99 Cb -0.09 -1.25 -0.05 0.00 -1.71 0.00 0.00 66.02 62.93 2e47 s SER 99 CO -0.00 0.03 0.25 -0.60 1.20 0.00 0.00 173.24 174.12 2e47 s ARG 100 N 0.99 3.97 -0.12 5.44 3.52 -1.26 -0.93 118.95 130.57 2e47 s ARG 100 Ca -0.05 0.05 -0.01 0.00 -0.13 0.00 0.00 55.73 55.59 2e47 s ARG 100 Cb -0.15 -3.33 -0.03 0.00 -1.56 0.00 0.00 34.95 29.89 2e47 s ARG 100 CO -0.03 0.47 -0.06 0.42 -0.81 0.00 0.00 175.30 175.29 2e47 s ILE 101 N -0.22 3.73 -0.36 4.11 1.01 0.81 -4.79 121.20 125.49 2e47 s ILE 101 Ca 0.16 -0.44 0.05 0.00 0.00 0.00 0.00 60.65 60.42 2e47 s ILE 101 Cb -0.13 -2.58 0.17 0.00 0.01 0.00 0.00 42.46 39.93 2e47 s ILE 101 CO 0.05 0.54 0.50 -0.62 0.00 0.00 0.00 174.94 175.41 2e47 s ASP 102 N -0.14 -0.30 0.14 3.58 3.68 -1.24 -1.43 116.67 120.97 2e47 s ASP 102 Ca 0.02 -0.83 -0.00 0.00 2.13 0.00 0.00 52.55 53.87 2e47 s ASP 102 Cb -0.13 1.35 -0.04 0.00 -1.45 0.00 0.00 42.92 42.65 2e47 s ASP 102 CO 0.03 -0.25 0.03 -1.48 0.13 0.00 0.00 175.17 173.63 2e47 s LEU 103 N 1.98 1.93 -0.11 -1.34 0.05 0.22 -4.98 118.68 116.44 2e47 s LEU 103 Ca 0.14 -1.19 0.03 0.00 0.05 0.00 0.00 54.13 53.17 2e47 s LEU 103 Cb -0.10 0.17 0.01 0.00 -2.05 0.00 0.00 46.19 44.21 2e47 s LEU 103 CO -0.13 -0.67 -0.21 -0.69 -0.55 0.00 0.00 176.35 174.10 2e47 s VAL 104 N -3.90 1.90 0.07 1.48 1.01 -1.26 -0.57 120.40 119.12 2e47 s VAL 104 Ca 0.23 -0.91 0.08 0.00 0.00 0.00 0.00 61.98 61.38 2e47 s VAL 104 Cb 0.07 -1.67 -0.03 0.00 0.00 0.00 0.00 36.38 34.75 2e47 s VAL 104 CO 0.02 0.52 -0.22 -0.62 0.00 0.00 0.00 175.10 174.81 2e47 s ASP 105 N 0.59 2.60 0.00 3.32 -1.08 -0.08 -4.96 116.67 117.06 2e47 s ASP 105 Ca -0.14 -0.60 0.00 0.00 -0.52 0.00 0.00 52.55 51.30 2e47 s ASP 105 Cb -0.17 -0.19 0.00 0.00 -1.46 0.00 0.00 42.92 41.10 2e47 s ASP 105 CO 0.04 0.14 0.72 -0.90 0.52 0.00 0.00 175.17 175.68 2e47 n ASP 106 N 1.53 1.44 -0.10 -0.34 5.75 -1.26 -0.47 116.55 123.10 2e47 n ASP 106 Ca -0.18 -1.43 -0.23 0.00 -0.01 0.00 0.00 54.79 52.94 2e47 n ASP 106 Cb 0.53 -0.00 -0.12 0.00 -1.03 0.00 0.00 41.12 40.50 2e47 n ASP 106 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2e47 n GLN 107 N -0.20 0.63 -2.45 0.11 3.00 -1.26 -4.89 117.38 112.31 2e47 n GLN 107 Ca 0.00 0.32 -0.35 0.00 -0.01 0.00 0.00 57.00 56.96 2e47 n GLN 107 Cb 0.11 -1.61 -0.03 0.00 0.00 0.00 0.00 30.24 28.71 2e47 n GLN 107 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 177.06 178.02 2e47 s ILE 108 N -2.48 3.56 0.20 5.09 -4.36 -1.26 -4.83 121.20 117.12 2e47 s ILE 108 Ca -0.32 1.04 0.01 0.00 -0.26 0.00 0.00 60.65 61.12 2e47 s ILE 108 Cb 0.10 -3.46 -0.05 0.00 1.25 0.00 0.00 42.46 40.30 2e47 s ILE 108 CO 0.60 -0.15 0.06 -0.55 0.24 0.00 0.00 174.94 175.14 2e47 s SER 109 N -1.78 0.99 0.00 4.36 0.15 0.39 -4.47 113.70 113.33 2e47 s SER 109 Ca 0.66 -1.28 0.26 0.00 0.70 0.00 0.00 55.95 56.30 2e47 s SER 109 Cb -0.20 0.18 0.73 0.00 -1.71 0.00 0.00 66.02 65.02 2e47 s SER 109 CO 0.25 -0.67 1.55 0.18 1.20 0.00 0.00 173.24 175.75 2e47 n LEU 110 N -0.31 1.61 -3.94 3.45 4.77 -1.26 -1.56 117.00 119.75 2e47 n LEU 110 Ca -0.03 -0.52 -0.09 0.00 -0.03 0.00 0.00 56.01 55.35 2e47 n LEU 110 Cb 0.65 -0.04 -0.03 0.00 -2.33 0.00 0.00 43.42 41.66 2e47 n LEU 110 CO 0.35 0.28 0.31 -0.94 -1.33 0.00 0.00 177.39 176.05 2e47 s SER 111 N -2.21 -0.09 0.24 -1.43 1.04 -1.26 -4.64 113.70 105.35 2e47 s SER 111 Ca 0.30 -0.86 0.00 0.00 0.48 0.00 0.00 55.95 55.87 2e47 s SER 111 Cb 0.20 0.66 0.00 0.00 0.10 0.00 0.00 66.02 66.98 2e47 s SER 111 CO 0.41 -1.27 0.00 0.61 0.98 0.00 0.00 173.24 173.98 2e47 n GLY 112 N -0.43 -1.11 0.29 7.32 0.00 -1.26 -3.21 105.19 106.79 2e47 n GLY 112 Ca -0.03 -1.22 0.18 0.00 0.00 0.00 0.00 46.02 44.95 2e47 n GLY 112 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 2e47 h PRO 113 N 0.00 0.00 -0.57 1.61 0.11 -2.01 -1.29 132.00 129.85 2e47 h PRO 113 Ca 0.00 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.11 2e47 h PRO 113 Cb 0.00 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.11 2e47 h PRO 113 CO 0.00 0.02 0.00 0.72 -0.21 0.00 0.00 178.00 178.53 2e47 n HIS 114 N -3.13 1.28 -2.10 0.65 8.25 -1.26 -4.89 115.22 114.02 2e47 n HIS 114 Ca -0.01 -0.62 -0.41 0.00 -0.26 0.00 0.00 57.72 56.42 2e47 n HIS 114 Cb 0.24 -0.22 -0.02 0.00 1.12 0.00 0.00 29.99 31.12 2e47 n HIS 114 CO 0.00 0.00 0.00 0.20 0.64 0.00 0.00 176.34 177.18 2e47 s GLY 115 N -1.05 3.00 0.00 -1.41 0.00 -0.49 -0.47 107.32 106.90 2e47 s GLY 115 Ca 0.47 1.28 0.08 0.00 0.00 0.00 0.00 44.72 46.54 2e47 s GLY 115 CO 0.22 1.93 0.68 0.29 0.00 0.00 0.00 173.10 176.22 2e47 n ILE 116 N 0.79 0.00 -2.03 0.90 -5.35 -0.60 -4.89 119.36 108.18 2e47 n ILE 116 Ca 0.00 -0.48 -0.42 0.00 -0.27 0.00 0.00 62.75 61.59 2e47 n ILE 116 Cb 0.42 1.14 -0.03 0.00 -1.74 0.00 0.00 39.64 39.43 2e47 n ILE 116 CO 0.00 0.00 0.00 -0.63 -1.76 0.00 0.00 176.55 174.16 2e47 s ILE 117 N -0.81 2.85 0.00 7.28 1.01 -1.26 -1.51 121.20 128.77 2e47 s ILE 117 Ca 0.08 0.64 0.00 0.00 0.00 0.00 0.00 60.65 61.37 2e47 s ILE 117 Cb 0.06 -3.41 0.00 0.00 0.01 0.00 0.00 42.46 39.13 2e47 s ILE 117 CO 0.13 0.06 0.00 0.61 0.00 0.00 0.00 174.94 175.74 2e47 n GLY 118 N 3.27 0.74 3.68 6.18 0.00 0.65 -4.99 105.19 114.73 2e47 n GLY 118 Ca 0.11 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.95 2e47 n GLY 118 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2e47 n ARG 119 N -2.00 0.62 -4.73 1.61 1.74 -0.57 -2.30 116.66 111.03 2e47 n ARG 119 Ca 0.00 -2.94 -0.31 0.00 -0.77 0.00 0.00 57.85 53.83 2e47 n ARG 119 Cb 0.00 -0.23 -0.13 0.00 -1.02 0.00 0.00 32.46 31.08 2e47 n ARG 119 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2e47 s ALA 120 N -2.66 2.61 -0.06 7.54 0.00 -1.16 0.13 121.76 128.16 2e47 s ALA 120 Ca 0.57 -1.14 -0.16 0.00 0.00 0.00 0.00 51.96 51.24 2e47 s ALA 120 Cb -0.05 -0.79 -0.05 0.00 0.00 0.00 0.00 23.12 22.23 2e47 s ALA 120 CO 0.36 0.57 0.41 0.08 0.00 0.00 0.00 175.76 177.19 2e47 s VAL 121 N -0.88 5.12 -0.07 0.00 1.01 -0.12 0.07 120.40 125.53 2e47 s VAL 121 Ca 0.14 0.83 0.02 0.00 0.00 0.00 0.00 61.98 62.97 2e47 s VAL 121 Cb -0.11 -3.73 0.02 0.00 0.00 0.00 0.00 36.38 32.56 2e47 s VAL 121 CO 0.04 0.48 -0.11 -0.69 0.00 0.00 0.00 175.10 174.82 2e47 s VAL 122 N -0.34 1.07 -0.17 2.92 1.01 -0.18 -1.66 120.40 123.06 2e47 s VAL 122 Ca 0.23 -0.43 -0.11 0.00 0.00 0.00 0.00 61.98 61.68 2e47 s VAL 122 Cb -0.16 -1.00 -0.05 0.00 0.00 0.00 0.00 36.38 35.17 2e47 s VAL 122 CO 0.11 0.35 0.18 -0.22 0.00 0.00 0.00 175.10 175.52 2e47 s LEU 123 N 0.81 4.26 0.34 3.92 2.96 0.70 -1.88 118.68 129.80 2e47 s LEU 123 Ca -0.12 0.37 0.07 0.00 -0.22 0.00 0.00 54.13 54.24 2e47 s LEU 123 Cb -0.15 -2.17 -0.03 0.00 0.50 0.00 0.00 46.19 44.34 2e47 s LEU 123 CO 0.02 0.21 0.30 -1.00 -1.32 0.00 0.00 176.35 174.56 2e47 s HIS 124 N 0.07 2.90 0.08 5.38 3.76 0.21 -0.63 115.29 127.06 2e47 s HIS 124 Ca 0.12 -0.31 0.18 0.00 -0.15 0.00 0.00 55.06 54.90 2e47 s HIS 124 Cb -0.12 -1.82 0.51 0.00 1.11 0.00 0.00 32.58 32.26 2e47 s HIS 124 CO 0.01 0.16 1.65 1.05 -0.85 0.00 0.00 174.74 176.77 2e47 h GLU 125 N 1.23 0.00 0.00 1.40 4.11 -0.62 -3.39 114.58 117.31 2e47 h GLU 125 Ca -0.45 0.00 -0.21 0.00 0.07 0.00 0.00 59.36 58.77 2e47 h GLU 125 Cb 1.25 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 30.45 2e47 h GLU 125 CO 0.58 0.42 -0.16 0.36 0.07 0.00 0.00 179.01 180.28 2e47 n LYS 126 N -3.44 0.36 -2.50 1.06 2.85 -0.54 -4.96 118.16 111.00 2e47 n LYS 126 Ca 0.00 -1.81 -0.39 0.00 -1.05 0.00 0.00 58.31 55.06 2e47 n LYS 126 Cb 0.58 1.64 -0.04 0.00 -0.65 0.00 0.00 35.03 36.56 2e47 n LYS 126 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 2e47 s ALA 127 N -2.49 3.25 0.13 0.58 0.00 -1.09 -0.05 121.76 122.08 2e47 s ALA 127 Ca 0.20 0.81 -0.30 0.00 0.00 0.00 0.00 51.96 52.67 2e47 s ALA 127 Cb 0.00 -3.30 -0.06 0.00 0.00 0.00 0.00 23.12 19.75 2e47 s ALA 127 CO 0.14 -0.20 1.00 0.34 0.00 0.00 0.00 175.76 177.05 2e47 s ASP 128 N -1.20 7.43 0.00 0.00 3.68 -1.26 -4.02 116.67 121.30 2e47 s ASP 128 Ca 0.51 1.88 0.23 0.00 2.13 0.00 0.00 52.55 57.30 2e47 s ASP 128 Cb -0.27 -2.59 0.46 0.00 -1.45 0.00 0.00 42.92 39.06 2e47 s ASP 128 CO 0.35 -0.12 1.42 -0.90 0.13 0.00 0.00 175.17 176.05 2e47 n ASP 129 N 2.70 3.54 -0.49 -0.34 3.85 -0.49 -4.91 116.55 120.42 2e47 n ASP 129 Ca 0.03 -1.99 -0.06 0.00 -0.71 0.00 0.00 54.79 52.05 2e47 n ASP 129 Cb 0.48 -0.29 -0.03 0.00 -1.35 0.00 0.00 41.12 39.94 2e47 n ASP 129 CO 0.00 0.00 0.00 -1.22 -1.01 0.00 0.00 177.20 174.97 2e47 n TYR 130 N 1.50 0.00 -0.87 2.11 4.01 -1.26 -1.81 117.16 120.84 2e47 n TYR 130 Ca 0.20 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.94 2e47 n TYR 130 Cb 0.61 -1.45 0.00 0.00 -0.31 0.00 0.00 39.34 38.18 2e47 n TYR 130 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2e47 n GLY 131 N -1.93 0.51 0.42 2.72 0.00 -1.24 -3.62 105.19 102.06 2e47 n GLY 131 Ca -0.06 -0.48 0.07 0.00 0.00 0.00 0.00 46.02 45.55 2e47 n GLY 131 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2e47 n LYS 132 N -2.87 1.52 -4.31 1.61 5.02 -0.75 -4.64 118.16 113.73 2e47 n LYS 132 Ca 0.00 -2.99 -0.27 0.00 -2.02 0.00 0.00 58.31 53.03 2e47 n LYS 132 Cb 0.00 -1.59 -0.08 0.00 -0.02 0.00 0.00 35.03 33.35 2e47 n LYS 132 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 2e47 s SER 133 N -3.02 4.27 0.43 4.39 1.04 -1.26 -5.01 113.70 114.55 2e47 s SER 133 Ca 0.36 -1.24 0.29 0.00 0.48 0.00 0.00 55.95 55.84 2e47 s SER 133 Cb 0.33 -0.25 1.16 0.00 0.10 0.00 0.00 66.02 67.37 2e47 s SER 133 CO -0.02 -0.61 1.86 -2.24 0.98 0.00 0.00 173.24 173.21 2e47 h ASP 134 N 1.44 0.00 -2.43 7.02 2.03 -2.00 -3.45 116.42 119.01 2e47 h ASP 134 Ca -0.43 0.00 -0.61 0.00 -0.73 0.00 0.00 57.03 55.27 2e47 h ASP 134 Cb 1.26 0.00 0.08 0.00 -0.83 0.00 0.00 39.33 39.85 2e47 h ASP 134 CO 0.72 0.00 0.47 1.57 -1.03 0.00 0.00 179.24 180.97 2e47 n HIS 135 N -2.74 1.82 -0.29 4.15 -0.00 -1.26 -4.87 115.22 112.03 2e47 n HIS 135 Ca 0.01 0.54 0.11 0.00 0.46 0.00 0.00 57.72 58.84 2e47 n HIS 135 Cb 0.29 -2.39 0.27 0.00 -0.12 0.00 0.00 29.99 28.05 2e47 n HIS 135 CO 0.00 0.00 0.00 -1.35 0.46 0.00 0.00 176.34 175.45 2e47 h PRO 136 N 3.75 0.33 0.00 1.57 0.11 -2.04 -1.22 132.00 134.49 2e47 h PRO 136 Ca -0.44 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.65 2e47 h PRO 136 Cb 1.30 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.34 2e47 h PRO 136 CO 0.72 0.22 0.00 -0.44 -0.21 0.00 0.00 178.00 178.29 2e47 h ASP 137 N 0.34 0.00 -0.82 -2.05 3.45 -1.97 -3.40 116.42 111.96 2e47 h ASP 137 Ca 0.52 0.00 0.16 0.00 0.43 0.00 0.00 57.03 58.15 2e47 h ASP 137 Cb 0.98 0.00 -0.16 0.00 -0.56 0.00 0.00 39.33 39.59 2e47 h ASP 137 CO -0.55 0.00 -0.21 -0.24 -1.57 0.00 0.00 179.24 176.68 2e47 n SER 138 N -2.72 -0.30 0.08 6.45 2.88 -0.46 -1.23 113.62 118.32 2e47 n SER 138 Ca 0.04 1.42 0.13 0.00 -1.33 0.00 0.00 58.87 59.13 2e47 n SER 138 Cb 0.44 -0.43 0.46 0.00 -0.75 0.00 0.00 64.21 63.94 2e47 n SER 138 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 2e47 n ARG 139 N -5.34 0.18 -0.12 -1.46 1.74 -1.26 -1.35 116.66 109.05 2e47 n ARG 139 Ca 0.13 0.20 -0.21 0.00 -0.77 0.00 0.00 57.85 57.20 2e47 n ARG 139 Cb 0.41 -1.73 -0.10 0.00 -1.02 0.00 0.00 32.46 30.03 2e47 n ARG 139 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 2e47 n LYS 140 N -2.04 0.55 0.00 5.56 5.02 -0.36 -0.86 118.16 126.02 2e47 n LYS 140 Ca 0.05 0.18 0.00 0.00 -2.02 0.00 0.00 58.31 56.52 2e47 n LYS 140 Cb 0.36 -1.41 0.00 0.00 -0.02 0.00 0.00 35.03 33.96 2e47 n LYS 140 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 2e47 n THR 141 N -3.64 0.00 -1.21 -0.18 -2.24 -0.91 -4.60 114.28 101.50 2e47 n THR 141 Ca -0.45 -0.41 -0.07 0.00 -2.27 0.00 0.00 64.05 60.85 2e47 n THR 141 Cb 0.89 0.98 -0.03 0.00 -2.10 0.00 0.00 70.33 70.06 2e47 n THR 141 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2e47 n GLY 142 N 0.91 0.92 4.09 3.38 0.00 -0.45 -3.33 105.19 110.71 2e47 n GLY 142 Ca 0.00 -0.49 -0.31 0.00 0.00 0.00 0.00 46.02 45.22 2e47 n GLY 142 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2e47 n ASN 143 N 0.32 -1.72 -0.19 1.61 4.05 -1.26 -1.39 115.26 116.69 2e47 n ASN 143 Ca -0.07 -1.01 0.15 0.00 0.45 0.00 0.00 54.58 54.09 2e47 n ASN 143 Cb 0.29 -2.88 0.69 0.00 1.23 0.00 0.00 39.78 39.11 2e47 n ASN 143 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 2e47 n ALA 144 N -4.42 2.68 0.00 5.20 0.00 -1.21 -4.72 120.51 118.05 2e47 n ALA 144 Ca -0.13 -0.30 0.00 0.00 0.00 0.00 0.00 53.44 53.01 2e47 n ALA 144 Cb 0.60 -1.34 0.00 0.00 0.00 0.00 0.00 19.45 18.70 2e47 n ALA 144 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2e47 n GLY 145 N 1.16 -1.61 3.61 0.00 0.00 -1.26 -1.47 105.19 105.63 2e47 n GLY 145 Ca 0.19 -1.39 -0.29 0.00 0.00 0.00 0.00 46.02 44.53 2e47 n GLY 145 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2e47 s GLY 146 N -0.12 1.55 -0.33 -0.02 0.00 -1.26 -4.57 107.32 102.57 2e47 s GLY 146 Ca 0.00 -0.49 -0.13 0.00 0.00 0.00 0.00 44.72 44.10 2e47 s GLY 146 CO 0.00 0.22 0.26 0.50 0.00 0.00 0.00 173.10 174.08 2e47 s ARG 147 N -4.98 3.57 0.07 2.90 0.52 -1.26 -0.35 118.95 119.42 2e47 s ARG 147 Ca 0.67 -0.56 0.19 0.00 -0.52 0.00 0.00 55.73 55.51 2e47 s ARG 147 Cb -0.18 -3.79 -0.13 0.00 0.52 0.00 0.00 34.95 31.38 2e47 s ARG 147 CO 0.58 -0.42 0.80 1.33 0.02 0.00 0.00 175.30 177.61 2e47 n VAL 148 N 5.12 0.97 -3.56 3.52 0.24 0.20 -4.93 118.33 119.89 2e47 n VAL 148 Ca -0.12 -0.65 -0.14 0.00 -2.04 0.00 0.00 64.34 61.39 2e47 n VAL 148 Cb 0.50 -0.57 -0.06 0.00 -1.47 0.00 0.00 33.84 32.25 2e47 n VAL 148 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2e47 s ALA 149 N -3.05 -1.86 0.09 2.33 0.00 -1.17 -4.98 121.76 113.12 2e47 s ALA 149 Ca -0.03 1.50 -0.10 0.00 0.00 0.00 0.00 51.96 53.33 2e47 s ALA 149 Cb 0.09 -0.46 0.01 0.00 0.00 0.00 0.00 23.12 22.76 2e47 s ALA 149 CO 0.82 -0.33 0.23 0.00 0.00 0.00 0.00 175.76 176.48 2e47 s GLY 151 N -2.72 -0.34 0.37 0.00 0.00 -0.66 -4.62 107.32 99.35 2e47 s GLY 151 Ca 0.03 1.03 -0.26 0.00 0.00 0.00 0.00 44.72 45.52 2e47 s GLY 151 CO -0.10 0.79 1.09 0.14 0.00 0.00 0.00 173.10 175.02 2e47 s VAL 152 N -0.56 3.53 -0.41 1.40 1.01 -1.26 -0.94 120.40 123.16 2e47 s VAL 152 Ca -0.07 1.28 -0.23 0.00 0.00 0.00 0.00 61.98 62.96 2e47 s VAL 152 Cb -0.03 -3.71 0.02 0.00 0.00 0.00 0.00 36.38 32.65 2e47 s VAL 152 CO 0.04 0.11 0.78 -0.63 0.00 0.00 0.00 175.10 175.40 2e47 s ILE 153 N -1.48 4.69 0.25 2.22 1.01 0.34 -4.36 121.20 123.87 2e47 s ILE 153 Ca 0.55 0.64 0.09 0.00 0.00 0.00 0.00 60.65 61.93 2e47 s ILE 153 Cb -0.26 -4.27 -0.04 0.00 0.01 0.00 0.00 42.46 37.89 2e47 s ILE 153 CO 0.33 -0.59 -0.02 -0.83 0.00 0.00 0.00 174.94 173.83 2e47 s GLY 154 N 2.01 1.68 0.23 6.18 0.00 0.67 -0.26 107.32 117.82 2e47 s GLY 154 Ca 0.31 -1.63 -0.31 0.00 0.00 0.00 0.00 44.72 43.09 2e47 s GLY 154 CO 0.20 -1.68 1.51 -0.42 0.00 0.00 0.00 173.10 172.71 2e47 s ILE 155 N -2.22 2.54 -2.46 0.90 1.01 -1.26 -0.35 121.20 119.35 2e47 s ILE 155 Ca 0.30 0.43 0.20 0.00 0.00 0.00 0.00 60.65 61.58 2e47 s ILE 155 Cb -0.07 -3.27 0.16 0.00 0.01 0.00 0.00 42.46 39.28 2e47 s ILE 155 CO 0.19 0.06 1.12 -0.11 0.00 0.00 0.00 174.94 176.20