#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hci n GLN 3 N 0.00 1.06 -4.26 -1.46 6.02 -1.26 -4.87 117.38 112.61 3hci n GLN 3 Ca 0.00 -0.09 -0.31 0.00 -0.01 0.00 0.00 57.00 56.59 3hci n GLN 3 Cb 0.00 -1.41 -0.09 0.00 1.02 0.00 0.00 30.24 29.77 3hci n GLN 3 CO 0.00 0.00 0.00 -0.06 -1.01 0.00 0.00 177.06 175.99 3hci s PHE 4 N -1.99 2.99 -0.59 1.08 0.08 -1.26 -3.17 117.98 115.12 3hci s PHE 4 Ca 0.38 0.01 -0.28 0.00 0.12 0.00 0.00 56.93 57.16 3hci s PHE 4 Cb 0.18 -1.60 0.02 0.00 -0.57 0.00 0.00 43.02 41.05 3hci s PHE 4 CO 0.30 0.45 1.32 0.34 -0.10 0.00 0.00 175.22 177.52 3hci s ASP 5 N -1.84 6.25 -0.06 1.36 -1.08 -1.26 -4.89 116.67 115.14 3hci s ASP 5 Ca 0.21 0.13 0.10 0.00 -0.52 0.00 0.00 52.55 52.47 3hci s ASP 5 Cb -0.11 -2.55 0.38 0.00 -1.46 0.00 0.00 42.92 39.17 3hci s ASP 5 CO 0.13 -1.64 1.21 0.18 0.52 0.00 0.00 175.17 175.57 3hci n LEU 6 N 9.15 2.73 -4.66 -1.34 4.77 -1.26 -4.92 117.00 121.47 3hci n LEU 6 Ca 0.10 -1.38 -0.42 0.00 -0.03 0.00 0.00 56.01 54.28 3hci n LEU 6 Cb 0.49 -0.42 -0.03 0.00 -2.33 0.00 0.00 43.42 41.13 3hci n LEU 6 CO 0.71 0.48 1.42 -0.89 -1.33 0.00 0.00 177.39 177.78 3hci s THR 7 N -1.69 3.36 0.34 -5.08 2.01 -1.26 -4.56 115.64 108.76 3hci s THR 7 Ca 0.27 0.51 -0.27 0.00 0.31 0.00 0.00 61.69 62.50 3hci s THR 7 Cb 0.17 -3.33 -0.12 0.00 0.01 0.00 0.00 72.50 69.23 3hci s THR 7 CO 0.13 -0.04 1.13 -2.65 -0.69 0.00 0.00 174.62 172.50 3hci n PRO 8 N 6.99 1.68 -1.98 4.92 -0.02 -1.26 -4.93 135.00 140.40 3hci n PRO 8 Ca 0.18 0.59 -0.38 0.00 -2.02 0.00 0.00 63.50 61.87 3hci n PRO 8 Cb 0.42 -2.09 0.02 0.00 -0.02 0.00 0.00 33.50 31.82 3hci n PRO 8 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 3hci s PRO 9 N -1.80 3.52 0.72 0.52 0.04 -1.26 -5.02 135.00 131.73 3hci s PRO 9 Ca 0.58 2.09 -0.11 0.00 0.04 0.00 0.00 61.00 63.61 3hci s PRO 9 Cb -0.61 -2.42 0.02 0.00 0.04 0.00 0.00 34.50 31.53 3hci s PRO 9 CO 0.60 -0.84 1.07 -1.54 0.04 0.00 0.00 177.00 176.33 3hci s SER 10 N -1.00 5.09 0.36 6.66 1.04 -1.26 -4.65 113.70 119.93 3hci s SER 10 Ca 0.66 1.64 0.17 0.00 0.48 0.00 0.00 55.95 58.89 3hci s SER 10 Cb -0.37 -2.46 1.11 0.00 0.10 0.00 0.00 66.02 64.40 3hci s SER 10 CO 0.45 -1.63 1.68 -0.65 0.98 0.00 0.00 173.24 174.07 3hci h PRO 11 N -0.85 0.33 0.04 4.02 0.11 -1.99 0.28 132.00 133.95 3hci h PRO 11 Ca -0.44 -0.02 -0.00 0.00 0.11 0.00 0.00 66.00 65.65 3hci h PRO 11 Cb 1.22 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.26 3hci h PRO 11 CO 0.56 0.22 -0.02 0.00 -0.21 0.00 0.00 178.00 178.54 3hci h ALA 12 N 1.76 -0.06 -0.76 -0.75 0.00 -1.99 -0.52 119.26 116.94 3hci h ALA 12 Ca 0.71 -0.11 -0.02 0.00 0.00 0.00 0.00 54.91 55.49 3hci h ALA 12 Cb 1.71 0.02 -0.04 0.00 0.00 0.00 0.00 17.79 19.49 3hci h ALA 12 CO -0.51 -0.43 0.39 1.96 0.00 0.00 0.00 179.25 180.66 3hci h GLN 13 N -0.26 1.08 0.44 0.00 7.50 -1.50 -0.94 115.11 121.43 3hci h GLN 13 Ca -0.01 -0.14 -0.01 0.00 0.50 0.00 0.00 58.65 58.99 3hci h GLN 13 Cb 0.24 -0.21 -0.01 0.00 0.05 0.00 0.00 27.48 27.55 3hci h GLN 13 CO 0.01 0.81 -0.29 -0.09 -1.50 0.00 0.00 178.83 177.77 3hci h ARG 14 N 1.08 -0.68 -0.29 1.46 2.43 -0.89 -2.26 114.38 115.22 3hci h ARG 14 Ca 0.27 0.05 -0.05 0.00 -0.81 0.00 0.00 59.98 59.43 3hci h ARG 14 Cb 0.07 0.16 -0.02 0.00 -0.42 0.00 0.00 29.97 29.76 3hci h ARG 14 CO -0.04 -0.46 -0.05 -0.44 -1.51 0.00 0.00 179.97 177.48 3hci h ASP 15 N -0.71 0.43 -0.71 -3.80 3.32 -0.94 0.19 116.42 114.20 3hci h ASP 15 Ca -0.05 -0.09 0.01 0.00 0.02 0.00 0.00 57.03 56.93 3hci h ASP 15 Cb 0.59 -0.11 -0.04 0.00 0.22 0.00 0.00 39.33 39.99 3hci h ASP 15 CO 0.03 0.54 0.47 0.00 -1.72 0.00 0.00 179.24 178.56 3hci h ALA 16 N 1.52 0.91 0.06 3.45 0.00 -1.04 -1.02 119.26 123.14 3hci h ALA 16 Ca 0.09 -0.05 -0.25 0.00 0.00 0.00 0.00 54.91 54.71 3hci h ALA 16 Cb 0.36 -0.28 0.02 0.00 0.00 0.00 0.00 17.79 17.90 3hci h ALA 16 CO 0.02 0.31 -1.02 -0.07 0.00 0.00 0.00 179.25 178.49 3hci h LEU 17 N 0.95 0.79 -0.90 0.00 3.38 -0.89 -3.27 115.31 115.37 3hci h LEU 17 Ca 0.26 -0.80 0.07 0.00 0.09 0.00 0.00 57.88 57.51 3hci h LEU 17 Cb -0.09 -0.25 -0.07 0.00 0.09 0.00 0.00 40.66 40.35 3hci h LEU 17 CO -0.06 1.49 0.57 0.40 0.09 0.00 0.00 178.44 180.92 3hci h ILE 18 N 0.18 1.03 -0.47 1.22 2.04 -0.89 -1.94 117.51 118.68 3hci h ILE 18 Ca -0.14 -0.35 0.13 0.00 1.00 0.00 0.00 64.86 65.50 3hci h ILE 18 Cb 1.70 -0.07 -0.02 0.00 -0.74 0.00 0.00 36.82 37.70 3hci h ILE 18 CO 0.20 0.18 0.34 0.00 0.00 0.00 0.00 178.15 178.87 3hci h ALA 19 N 1.43 2.42 -0.14 1.87 0.00 -1.23 -1.04 119.26 122.58 3hci h ALA 19 Ca 0.40 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.30 3hci h ALA 19 Cb 0.21 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.03 3hci h ALA 19 CO -0.19 -0.55 0.00 0.41 0.00 0.00 0.00 179.25 178.92 3hci n GLY 20 N -1.62 -0.01 3.71 0.00 0.00 -0.73 -4.91 105.19 101.63 3hci n GLY 20 Ca 0.08 -0.15 -0.35 0.00 0.00 0.00 0.00 46.02 45.60 3hci n GLY 20 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3hci s LEU 21 N -0.92 3.67 1.11 0.99 2.96 -0.40 -5.11 118.68 120.98 3hci s LEU 21 Ca 0.09 0.16 -0.15 0.00 -0.22 0.00 0.00 54.13 54.01 3hci s LEU 21 Cb 0.05 -1.90 0.17 0.00 0.50 0.00 0.00 46.19 45.02 3hci s LEU 21 CO 0.06 0.36 0.49 -1.20 -1.32 0.00 0.00 176.35 174.74 3hci n SER 22 N 1.97 -1.95 0.08 3.68 7.64 -1.26 -4.78 113.62 119.00 3hci n SER 22 Ca -0.18 -0.05 -0.13 0.00 1.01 0.00 0.00 58.87 59.52 3hci n SER 22 Cb 0.54 -1.13 -0.07 0.00 -1.01 0.00 0.00 64.21 62.53 3hci n SER 22 CO 0.00 0.00 0.00 0.44 -3.01 0.00 0.00 175.04 172.47 3hci h ASP 23 N -2.24 -0.10 -0.45 6.43 5.19 -1.99 -2.10 116.42 121.16 3hci h ASP 23 Ca -0.55 -0.03 -0.12 0.00 -0.62 0.00 0.00 57.03 55.71 3hci h ASP 23 Cb 1.34 0.03 -0.01 0.00 0.18 0.00 0.00 39.33 40.86 3hci h ASP 23 CO 0.42 -0.04 -0.18 -0.08 -3.12 0.00 0.00 179.24 176.23 3hci h GLU 24 N -0.15 0.96 -0.62 3.56 4.57 -1.99 -1.87 114.58 119.04 3hci h GLU 24 Ca -0.01 -0.39 -0.02 0.00 -1.18 0.00 0.00 59.36 57.76 3hci h GLU 24 Cb 0.12 -0.04 -0.03 0.00 -0.16 0.00 0.00 28.75 28.64 3hci h GLU 24 CO 0.02 1.05 0.30 0.93 -1.18 0.00 0.00 179.01 180.14 3hci h GLU 25 N 0.83 0.86 -0.56 1.92 5.08 -1.91 -1.78 114.58 119.02 3hci h GLU 25 Ca 0.12 -0.11 -0.09 0.00 -1.00 0.00 0.00 59.36 58.28 3hci h GLU 25 Cb 0.75 -0.17 -0.02 0.00 0.50 0.00 0.00 28.75 29.81 3hci h GLU 25 CO 0.06 0.66 0.00 1.96 -1.00 0.00 0.00 179.01 180.70 3hci h GLN 26 N 0.86 0.99 -0.60 2.33 4.20 -1.08 -0.51 115.11 121.30 3hci h GLN 26 Ca 0.22 -0.31 0.01 0.00 0.06 0.00 0.00 58.65 58.62 3hci h GLN 26 Cb 0.08 -0.09 -0.03 0.00 0.30 0.00 0.00 27.48 27.73 3hci h GLN 26 CO -0.03 0.99 0.39 -0.09 -0.67 0.00 0.00 178.83 179.42 3hci h ARG 27 N 0.88 0.77 0.11 1.46 2.43 -0.59 -0.64 114.38 118.80 3hci h ARG 27 Ca 0.16 -0.05 -0.01 0.00 -0.81 0.00 0.00 59.98 59.28 3hci h ARG 27 Cb 0.54 -0.17 0.00 0.00 -0.42 0.00 0.00 29.97 29.92 3hci h ARG 27 CO 0.03 0.51 -0.05 0.28 -1.51 0.00 0.00 179.97 179.22 3hci h VAL 28 N 0.79 0.21 -0.43 0.20 2.07 -1.34 -2.13 116.25 115.62 3hci h VAL 28 Ca 0.23 -1.02 -0.05 0.00 0.82 0.00 0.00 66.70 66.68 3hci h VAL 28 Cb -0.07 0.38 -0.02 0.00 -1.52 0.00 0.00 31.29 30.06 3hci h VAL 28 CO -0.06 0.06 0.07 -0.07 0.02 0.00 0.00 177.57 177.60 3hci h LEU 29 N -1.03 0.68 -0.05 2.57 3.38 -1.14 -2.87 115.31 116.84 3hci h LEU 29 Ca -0.02 -0.26 0.00 0.00 0.09 0.00 0.00 57.88 57.70 3hci h LEU 29 Cb 0.22 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 40.79 3hci h LEU 29 CO 0.03 0.76 -0.85 0.18 0.09 0.00 0.00 178.44 178.65 3hci n LEU 30 N -4.50 0.93 -1.16 1.67 4.77 -0.26 -0.47 117.00 117.98 3hci n LEU 30 Ca -0.00 -0.52 0.04 0.00 -0.03 0.00 0.00 56.01 55.51 3hci n LEU 30 Cb 0.24 0.00 0.07 0.00 -2.33 0.00 0.00 43.42 41.40 3hci n LEU 30 CO 0.39 0.23 0.16 1.41 -1.33 0.00 0.00 177.39 178.25 3hci n HIS 31 N -1.36 0.00 -1.42 -1.77 8.25 -1.12 -5.01 115.22 112.79 3hci n HIS 31 Ca 0.04 -0.73 -0.15 0.00 -0.26 0.00 0.00 57.72 56.62 3hci n HIS 31 Cb 0.30 -0.17 -0.06 0.00 1.12 0.00 0.00 29.99 31.18 3hci n HIS 31 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 3hci n HIS 32 N 0.00 0.00 -1.20 4.41 8.25 -1.09 -4.84 115.22 120.75 3hci n HIS 32 Ca 0.09 0.00 -0.29 0.00 -0.26 0.00 0.00 57.72 57.26 3hci n HIS 32 Cb 0.99 -2.92 0.15 0.00 1.12 0.00 0.00 29.99 29.33 3hci n HIS 32 CO 0.00 0.00 0.00 0.20 0.64 0.00 0.00 176.34 177.18 3hci s GLY 33 N -2.60 1.60 -0.05 -1.41 0.00 -0.81 -4.99 107.32 99.06 3hci s GLY 33 Ca 0.00 -0.18 0.03 0.00 0.00 0.00 0.00 44.72 44.57 3hci s GLY 33 CO 0.00 0.35 -0.14 -1.59 0.00 0.00 0.00 173.10 171.72 3hci s THR 34 N -2.95 1.21 0.60 0.90 2.01 -1.26 -4.64 115.64 111.50 3hci s THR 34 Ca 0.64 -0.56 -0.19 0.00 0.31 0.00 0.00 61.69 61.89 3hci s THR 34 Cb -0.18 -1.07 -0.05 0.00 0.01 0.00 0.00 72.50 71.21 3hci s THR 34 CO 0.57 0.36 1.01 -0.62 -0.69 0.00 0.00 174.62 175.26 3hci n GLU 35 N 3.46 0.97 -1.82 4.92 1.02 -1.26 -4.96 120.64 122.97 3hci n GLU 35 Ca -0.20 0.37 -0.42 0.00 -0.02 0.00 0.00 57.16 56.89 3hci n GLU 35 Cb 0.53 -2.22 -0.03 0.00 -0.02 0.00 0.00 31.44 29.70 3hci n GLU 35 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3hci s ALA 36 N -1.48 3.73 0.61 0.62 0.00 -1.26 -4.96 121.76 119.01 3hci s ALA 36 Ca 0.76 1.34 -0.19 0.00 0.00 0.00 0.00 51.96 53.87 3hci s ALA 36 Cb -0.42 -3.73 -0.03 0.00 0.00 0.00 0.00 23.12 18.95 3hci s ALA 36 CO 0.47 -1.14 1.24 -1.25 0.00 0.00 0.00 175.76 175.08 3hci s PRO 37 N 2.59 2.85 0.00 0.00 0.04 -1.26 -2.99 135.00 136.23 3hci s PRO 37 Ca 0.77 1.93 0.00 0.00 0.04 0.00 0.00 61.00 63.74 3hci s PRO 37 Cb -0.43 -1.93 0.00 0.00 0.04 0.00 0.00 34.50 32.18 3hci s PRO 37 CO 0.34 -1.33 0.00 1.19 0.04 0.00 0.00 177.00 177.25 3hci n PHE 38 N -1.65 0.00 0.30 0.56 3.72 0.76 -4.87 117.46 116.28 3hci n PHE 38 Ca 0.14 0.00 0.05 0.00 -0.05 0.00 0.00 57.45 57.59 3hci n PHE 38 Cb 0.49 -0.29 -0.07 0.00 -0.94 0.00 0.00 39.48 38.67 3hci n PHE 38 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3hci s GLY 40 N -2.48 2.96 0.44 0.00 0.00 -1.26 -4.95 107.32 102.03 3hci s GLY 40 Ca 0.01 0.99 0.15 0.00 0.00 0.00 0.00 44.72 45.86 3hci s GLY 40 CO 0.44 1.67 1.97 -0.39 0.00 0.00 0.00 173.10 176.78 3hci h VAL 41 N 3.23 0.87 -0.01 1.40 -1.51 -1.96 -2.14 116.25 116.12 3hci h VAL 41 Ca -0.47 -0.13 0.00 0.00 -1.23 0.00 0.00 66.70 64.87 3hci h VAL 41 Cb 1.21 0.45 0.00 0.00 -2.13 0.00 0.00 31.29 30.82 3hci h VAL 41 CO 0.68 0.07 -0.05 0.49 -1.23 0.00 0.00 177.57 177.53 3hci n PHE 42 N -4.47 0.00 -0.19 5.19 3.72 -1.26 -4.27 117.46 116.18 3hci n PHE 42 Ca 0.11 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.51 3hci n PHE 42 Cb 0.42 -0.02 0.10 0.00 -0.94 0.00 0.00 39.48 39.03 3hci n PHE 42 CO 0.00 0.00 0.00 1.25 -0.05 0.00 0.00 176.76 177.96 3hci h LEU 43 N 2.32 -0.12 -7.90 4.37 5.85 -1.76 -3.33 115.31 114.75 3hci h LEU 43 Ca 0.00 0.13 -0.66 0.00 0.84 0.00 0.00 57.88 58.19 3hci h LEU 43 Cb 0.54 0.20 -0.37 0.00 0.37 0.00 0.00 40.66 41.41 3hci h LEU 43 CO 0.00 -0.04 -0.82 -1.81 -0.34 0.00 0.00 178.44 175.43 3hci s ASP 44 N -5.27 3.94 -0.26 1.25 1.01 -1.26 -4.75 116.67 111.34 3hci s ASP 44 Ca -0.13 -1.13 -0.02 0.00 0.71 0.00 0.00 52.55 51.98 3hci s ASP 44 Cb 0.18 -1.47 0.12 0.00 1.01 0.00 0.00 42.92 42.75 3hci s ASP 44 CO 0.74 -0.14 0.26 0.21 0.21 0.00 0.00 175.17 176.45 3hci s ASN 45 N 1.20 1.61 0.39 0.27 3.84 -1.25 -5.04 114.94 115.96 3hci s ASN 45 Ca -0.04 -0.54 0.05 0.00 0.21 0.00 0.00 52.86 52.54 3hci s ASN 45 Cb -0.18 0.45 0.78 0.00 -0.55 0.00 0.00 41.25 41.75 3hci s ASN 45 CO -0.08 -0.36 2.03 0.50 -2.79 0.00 0.00 177.10 176.40 3hci h LYS 46 N 8.28 0.62 -7.01 0.43 3.11 -1.98 -3.47 116.57 116.57 3hci h LYS 46 Ca -0.16 -0.04 -0.52 0.00 -2.81 0.00 0.00 60.65 57.12 3hci h LYS 46 Cb 1.10 -0.14 0.08 0.00 -1.00 0.00 0.00 32.23 32.28 3hci h LYS 46 CO 0.32 0.43 0.52 -0.51 -2.81 0.00 0.00 179.45 177.40 3hci s LEU 47 N -9.53 3.98 0.11 5.20 1.43 -1.26 -5.02 118.68 113.60 3hci s LEU 47 Ca -0.09 2.43 -0.28 0.00 -1.03 0.00 0.00 54.13 55.16 3hci s LEU 47 Cb 0.17 -4.23 -0.06 0.00 0.03 0.00 0.00 46.19 42.10 3hci s LEU 47 CO 0.74 -1.07 0.88 -1.81 0.23 0.00 0.00 176.35 175.33 3hci s ASP 48 N -1.23 7.42 0.00 2.29 1.01 -1.26 -4.85 116.67 120.05 3hci s ASP 48 Ca 0.65 1.70 0.00 0.00 0.71 0.00 0.00 52.55 55.61 3hci s ASP 48 Cb -0.32 -2.55 0.00 0.00 1.01 0.00 0.00 42.92 41.07 3hci s ASP 48 CO 0.38 0.01 0.00 0.61 0.21 0.00 0.00 175.17 176.39 3hci n GLY 49 N 2.13 -0.38 3.45 0.21 0.00 -1.26 -0.52 105.19 108.81 3hci n GLY 49 Ca -0.00 -1.39 -0.33 0.00 0.00 0.00 0.00 46.02 44.30 3hci n GLY 49 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3hci s VAL 50 N -2.85 3.19 -0.30 1.61 1.01 -0.10 -0.84 120.40 122.12 3hci s VAL 50 Ca 0.00 -0.64 -0.17 0.00 0.00 0.00 0.00 61.98 61.17 3hci s VAL 50 Cb 0.00 -2.30 -0.02 0.00 0.00 0.00 0.00 36.38 34.06 3hci s VAL 50 CO 0.00 0.56 0.46 -0.31 0.00 0.00 0.00 175.10 175.81 3hci s TYR 51 N -0.24 3.23 0.20 5.22 2.02 0.21 -1.00 117.35 126.98 3hci s TYR 51 Ca 0.02 0.37 0.05 0.00 -0.37 0.00 0.00 57.07 57.13 3hci s TYR 51 Cb -0.13 -2.75 -0.04 0.00 -0.40 0.00 0.00 41.96 38.65 3hci s TYR 51 CO 0.03 -0.37 0.22 0.95 -1.57 0.00 0.00 175.55 174.81 3hci s THR 52 N 2.25 4.80 0.14 -0.71 -4.23 0.14 -0.30 115.64 117.73 3hci s THR 52 Ca 0.18 -1.06 -0.31 0.00 -1.18 0.00 0.00 61.69 59.32 3hci s THR 52 Cb -0.16 -3.52 -0.11 0.00 1.34 0.00 0.00 72.50 70.06 3hci s THR 52 CO 0.11 -0.20 1.78 0.00 -0.54 0.00 0.00 174.62 175.76 3hci h ARG 54 N 8.08 0.00 0.00 0.00 9.65 -1.60 -0.43 114.38 130.08 3hci h ARG 54 Ca -0.45 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.43 3hci h ARG 54 Cb 1.21 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.79 3hci h ARG 54 CO 0.95 0.11 -0.10 1.25 2.80 0.00 0.00 179.97 184.97 3hci h LEU 55 N 0.00 0.00 -1.51 3.80 5.85 -1.90 -3.43 115.31 118.12 3hci h LEU 55 Ca -0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 3hci h LEU 55 Cb 0.23 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.26 3hci h LEU 55 CO 0.01 0.49 -0.01 0.00 -0.34 0.00 0.00 178.44 178.60 3hci n GLY 57 N 0.78 1.61 3.69 0.00 0.00 -0.17 -4.42 105.19 106.67 3hci n GLY 57 Ca 0.08 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.66 3hci n GLY 57 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 3hci n LEU 58 N 0.00 3.78 -4.68 0.99 7.94 -1.26 -4.34 117.00 119.42 3hci n LEU 58 Ca 0.00 1.01 -0.45 0.00 -1.11 0.00 0.00 56.01 55.46 3hci n LEU 58 Cb 0.00 -1.50 -0.04 0.00 0.53 0.00 0.00 43.42 42.41 3hci n LEU 58 CO 0.00 0.06 1.39 -2.65 -1.11 0.00 0.00 177.39 175.07 3hci n PRO 59 N 5.19 2.45 -0.04 1.96 -0.02 -1.26 -0.17 135.00 143.11 3hci n PRO 59 Ca 0.18 0.89 -0.07 0.00 -2.02 0.00 0.00 63.50 62.48 3hci n PRO 59 Cb 0.34 -2.73 -0.03 0.00 -0.02 0.00 0.00 33.50 31.06 3hci n PRO 59 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 3hci n LEU 60 N 5.09 1.70 -3.88 2.45 4.77 0.58 -4.79 117.00 122.93 3hci n LEU 60 Ca 0.19 0.04 -0.12 0.00 -0.03 0.00 0.00 56.01 56.08 3hci n LEU 60 Cb 0.33 -0.26 -0.14 0.00 -2.33 0.00 0.00 43.42 41.02 3hci n LEU 60 CO 0.67 0.39 -0.36 -0.36 -1.33 0.00 0.00 177.39 176.40 3hci s PHE 61 N -2.15 0.02 0.23 -1.77 0.08 -0.74 0.17 117.98 113.81 3hci s PHE 61 Ca -0.11 -0.04 -0.13 0.00 0.12 0.00 0.00 56.93 56.77 3hci s PHE 61 Cb 0.04 -0.02 -0.08 0.00 -0.57 0.00 0.00 43.02 42.39 3hci s PHE 61 CO 0.16 -0.02 0.61 1.03 -0.10 0.00 0.00 175.22 176.90 3hci s ARG 62 N -0.13 3.94 0.42 0.44 0.52 -1.26 0.63 118.95 123.51 3hci s ARG 62 Ca -0.01 0.48 0.10 0.00 -0.52 0.00 0.00 55.73 55.77 3hci s ARG 62 Cb -0.01 -2.70 0.90 0.00 0.52 0.00 0.00 34.95 33.66 3hci s ARG 62 CO -0.00 0.33 2.00 0.66 0.02 0.00 0.00 175.30 178.31 3hci h SER 63 N 2.84 0.24 0.16 0.23 4.64 -1.32 -2.59 113.55 117.75 3hci h SER 63 Ca -0.48 -0.03 0.00 0.00 -0.47 0.00 0.00 61.79 60.81 3hci h SER 63 Cb 1.18 -0.06 0.00 0.00 -0.31 0.00 0.00 62.40 63.21 3hci h SER 63 CO 0.67 0.30 0.00 -0.46 -0.87 0.00 0.00 176.83 176.47 3hci n ASN 64 N -4.38 0.00 -0.63 4.97 0.23 -1.26 -0.92 115.26 113.28 3hci n ASN 64 Ca -0.00 0.20 0.07 0.00 -0.53 0.00 0.00 54.58 54.32 3hci n ASN 64 Cb 0.18 -0.31 0.10 0.00 -2.08 0.00 0.00 39.78 37.68 3hci n ASN 64 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 3hci n ALA 65 N -1.31 2.38 -1.85 -2.53 0.00 -0.98 -5.01 120.51 111.22 3hci n ALA 65 Ca 0.04 -0.82 -0.40 0.00 0.00 0.00 0.00 53.44 52.26 3hci n ALA 65 Cb 0.07 -0.48 -0.06 0.00 0.00 0.00 0.00 19.45 18.98 3hci n ALA 65 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 3hci s LYS 66 N -1.08 4.83 0.19 0.00 2.20 -0.09 -0.86 119.74 124.93 3hci s LYS 66 Ca 0.20 1.49 -0.07 0.00 -0.36 0.00 0.00 55.97 57.23 3hci s LYS 66 Cb 0.12 -3.30 -0.02 0.00 -1.51 0.00 0.00 37.83 33.13 3hci s LYS 66 CO 0.18 0.46 0.27 -0.59 -0.36 0.00 0.00 175.35 175.30 3hci s PHE 67 N -0.95 0.60 -0.40 4.03 -0.71 0.27 -4.95 117.98 115.87 3hci s PHE 67 Ca 0.42 -0.94 -0.15 0.00 -1.04 0.00 0.00 56.93 55.23 3hci s PHE 67 Cb -0.26 -0.16 0.02 0.00 -1.21 0.00 0.00 43.02 41.41 3hci s PHE 67 CO 0.32 -0.74 0.30 -0.51 -1.34 0.00 0.00 175.22 173.25 3hci s ASP 68 N -3.03 6.11 0.23 1.98 -0.00 -1.26 -3.81 116.67 116.89 3hci s ASP 68 Ca 0.24 -0.82 0.23 0.00 -0.00 0.00 0.00 52.55 52.19 3hci s ASP 68 Cb 0.04 -2.16 0.12 0.00 -0.00 0.00 0.00 42.92 40.92 3hci s ASP 68 CO 0.05 -0.43 1.19 0.77 -0.00 0.00 0.00 175.17 176.75 3hci h SER 69 N 8.62 0.00 0.00 0.27 4.64 -1.92 -3.48 113.55 121.68 3hci h SER 69 Ca -0.27 -0.04 0.00 0.00 -0.47 0.00 0.00 61.79 61.01 3hci h SER 69 Cb 1.12 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.21 3hci h SER 69 CO 0.72 0.02 0.00 0.61 -0.87 0.00 0.00 176.83 177.31 3hci n GLY 70 N 1.20 0.65 0.08 -0.77 0.00 -1.26 -4.95 105.19 100.14 3hci n GLY 70 Ca 0.01 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.06 3hci n GLY 70 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3hci n THR 71 N -2.67 0.85 0.00 2.61 -2.24 -1.26 -4.99 114.28 106.58 3hci n THR 71 Ca 0.00 -0.66 0.00 0.00 -2.27 0.00 0.00 64.05 61.12 3hci n THR 71 Cb 0.00 -0.44 0.00 0.00 -2.10 0.00 0.00 70.33 67.79 3hci n THR 71 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3hci n GLY 72 N 1.40 0.72 3.41 3.38 0.00 -1.26 -4.68 105.19 108.16 3hci n GLY 72 Ca -0.12 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.60 3hci n GLY 72 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 3hci s TRP 73 N -2.00 2.43 0.32 1.61 0.51 -1.26 -0.17 118.94 120.37 3hci s TRP 73 Ca 0.00 -0.33 -0.29 0.00 -2.12 0.00 0.00 56.10 53.35 3hci s TRP 73 Cb 0.00 -1.39 -0.12 0.00 -0.81 0.00 0.00 33.47 31.15 3hci s TRP 73 CO 0.00 0.23 1.44 -0.35 -0.51 0.00 0.00 176.95 177.77 3hci n PRO 74 N 1.46 2.40 -4.08 4.98 -0.04 -1.23 -4.74 135.00 133.76 3hci n PRO 74 Ca -0.17 0.85 -0.15 0.00 -0.04 0.00 0.00 63.50 63.99 3hci n PRO 74 Cb 0.52 -2.54 -0.15 0.00 -0.04 0.00 0.00 33.50 31.30 3hci n PRO 74 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 3hci s SER 75 N 0.07 0.47 0.05 3.54 0.01 -1.25 -1.14 113.70 115.45 3hci s SER 75 Ca 0.60 -0.07 0.05 0.00 1.31 0.00 0.00 55.95 57.84 3hci s SER 75 Cb -0.54 -0.08 -0.02 0.00 0.21 0.00 0.00 66.02 65.58 3hci s SER 75 CO 0.57 0.03 -0.14 -0.36 0.41 0.00 0.00 173.24 173.74 3hci s PHE 76 N 0.06 1.25 -0.70 2.43 0.08 -0.63 -0.56 117.98 119.90 3hci s PHE 76 Ca -0.00 -0.38 0.25 0.00 0.12 0.00 0.00 56.93 56.91 3hci s PHE 76 Cb -0.03 -0.73 0.44 0.00 -0.57 0.00 0.00 43.02 42.12 3hci s PHE 76 CO -0.00 0.04 1.40 1.97 -0.10 0.00 0.00 175.22 178.53 3hci n PHE 77 N 1.74 0.52 -3.67 0.36 -1.74 -0.04 -0.54 117.46 114.09 3hci n PHE 77 Ca -0.19 0.15 -0.15 0.00 -0.56 0.00 0.00 57.45 56.70 3hci n PHE 77 Cb 0.54 -0.64 -0.08 0.00 1.52 0.00 0.00 39.48 40.83 3hci n PHE 77 CO 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 176.76 176.20 3hci s ALA 78 N -3.14 -1.19 0.72 1.98 0.00 -1.26 -4.50 121.76 114.36 3hci s ALA 78 Ca 0.07 0.79 -0.11 0.00 0.00 0.00 0.00 51.96 52.71 3hci s ALA 78 Cb 0.14 -0.03 0.02 0.00 0.00 0.00 0.00 23.12 23.25 3hci s ALA 78 CO 0.70 -0.30 1.10 -1.25 0.00 0.00 0.00 175.76 176.01 3hci s PRO 79 N -1.13 2.77 0.29 0.00 0.04 -1.26 -4.67 135.00 131.04 3hci s PRO 79 Ca -0.11 0.46 0.04 0.00 0.04 0.00 0.00 61.00 61.42 3hci s PRO 79 Cb -0.03 -2.01 0.71 0.00 0.04 0.00 0.00 34.50 33.21 3hci s PRO 79 CO 0.06 -1.10 1.71 -0.92 0.04 0.00 0.00 177.00 176.79 3hci h TYR 80 N -0.70 0.70 -2.08 0.56 3.20 -0.59 -3.43 116.97 114.63 3hci h TYR 80 Ca -0.45 0.04 -0.03 0.00 3.14 0.00 0.00 58.73 61.43 3hci h TYR 80 Cb 1.26 -0.17 -0.21 0.00 1.54 0.00 0.00 36.73 39.15 3hci h TYR 80 CO 0.49 -0.01 0.06 0.34 -1.64 0.00 0.00 178.16 177.40 3hci s ASP 81 N -5.21 -0.78 0.36 -2.11 -1.08 -1.26 -4.97 116.67 101.62 3hci s ASP 81 Ca -0.12 1.41 0.11 0.00 -0.52 0.00 0.00 52.55 53.43 3hci s ASP 81 Cb 0.25 1.38 0.89 0.00 -1.46 0.00 0.00 42.92 43.98 3hci s ASP 81 CO 0.78 -0.24 1.83 -0.65 0.52 0.00 0.00 175.17 177.42 3hci h PRO 82 N 5.72 0.59 0.00 4.34 0.11 -1.93 -0.99 132.00 139.83 3hci h PRO 82 Ca -0.29 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.78 3hci h PRO 82 Cb 1.18 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 32.16 3hci h PRO 82 CO 0.11 0.39 0.00 0.00 -0.21 0.00 0.00 178.00 178.29 3hci n ALA 83 N -2.43 2.10 0.13 -0.75 0.00 -1.26 -3.62 120.51 114.67 3hci n ALA 83 Ca 0.20 -0.06 0.05 0.00 0.00 0.00 0.00 53.44 53.63 3hci n ALA 83 Cb 0.59 -1.41 0.03 0.00 0.00 0.00 0.00 19.45 18.66 3hci n ALA 83 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 3hci h HIS 84 N 0.00 0.00 -3.14 0.00 3.86 -1.53 -3.44 115.15 110.91 3hci h HIS 84 Ca 0.00 0.00 -0.66 0.00 -1.16 0.00 0.00 60.37 58.55 3hci h HIS 84 Cb 0.47 0.00 -0.35 0.00 1.06 0.00 0.00 27.41 28.59 3hci h HIS 84 CO 0.00 0.35 -0.86 0.08 0.86 0.00 0.00 177.93 178.36 3hci s VAL 85 N -3.06 1.95 -0.10 2.45 1.01 -1.24 -1.54 120.40 119.87 3hci s VAL 85 Ca 0.03 -0.89 -0.03 0.00 0.00 0.00 0.00 61.98 61.09 3hci s VAL 85 Cb 0.08 -1.75 -0.03 0.00 0.00 0.00 0.00 36.38 34.67 3hci s VAL 85 CO 0.75 0.52 0.03 -0.60 0.00 0.00 0.00 175.10 175.80 3hci s ARG 86 N 1.11 3.13 -0.11 2.72 3.52 -0.02 -4.88 118.95 124.43 3hci s ARG 86 Ca -0.00 -0.36 -0.14 0.00 -0.13 0.00 0.00 55.73 55.10 3hci s ARG 86 Cb -0.14 -2.89 -0.05 0.00 -1.56 0.00 0.00 34.95 30.31 3hci s ARG 86 CO -0.08 0.69 0.33 -1.21 -0.81 0.00 0.00 175.30 174.22 3hci s GLU 87 N -0.82 4.08 -0.02 5.12 2.02 -1.26 -0.43 118.70 127.39 3hci s GLU 87 Ca 0.13 0.20 0.02 0.00 0.02 0.00 0.00 54.97 55.34 3hci s GLU 87 Cb -0.12 -3.34 0.00 0.00 0.10 0.00 0.00 34.13 30.77 3hci s GLU 87 CO 0.02 0.42 -0.06 0.42 0.02 0.00 0.00 175.26 176.08 3hci s ILE 88 N -0.12 0.55 0.26 -1.63 1.01 0.76 -4.98 121.20 117.04 3hci s ILE 88 Ca 0.20 -0.26 -0.31 0.00 0.00 0.00 0.00 60.65 60.28 3hci s ILE 88 Cb -0.14 -0.49 -0.11 0.00 0.01 0.00 0.00 42.46 41.72 3hci s ILE 88 CO 0.07 0.17 1.63 -0.60 0.00 0.00 0.00 174.94 176.22 3hci s ARG 89 N 0.11 4.13 -0.19 2.79 6.06 -1.26 0.13 118.95 130.71 3hci s ARG 89 Ca -0.01 2.57 -0.00 0.00 -2.50 0.00 0.00 55.73 55.79 3hci s ARG 89 Cb -0.06 -3.05 0.05 0.00 0.06 0.00 0.00 34.95 31.95 3hci s ARG 89 CO -0.00 -0.67 -0.04 0.34 -2.50 0.00 0.00 175.30 172.43 3hci s ASP 90 N 0.74 3.14 -0.01 -2.12 3.68 -0.47 -4.76 116.67 116.86 3hci s ASP 90 Ca 0.67 -0.83 0.17 0.00 2.13 0.00 0.00 52.55 54.69 3hci s ASP 90 Cb -0.48 -0.94 0.51 0.00 -1.45 0.00 0.00 42.92 40.56 3hci s ASP 90 CO 0.42 -0.22 1.43 0.35 0.13 0.00 0.00 175.17 177.28 3hci n THR 91 N 4.84 1.08 -1.57 1.71 -2.24 -1.26 -1.12 114.28 115.73 3hci n THR 91 Ca -0.12 -1.03 -0.34 0.00 -2.27 0.00 0.00 64.05 60.29 3hci n THR 91 Cb 0.47 0.46 0.08 0.00 -2.10 0.00 0.00 70.33 69.23 3hci n THR 91 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 3hci s SER 92 N -1.01 4.46 -1.25 3.42 1.04 -1.26 -2.82 113.70 116.27 3hci s SER 92 Ca 0.39 2.34 0.00 0.00 0.48 0.00 0.00 55.95 59.15 3hci s SER 92 Cb 0.21 -2.59 0.00 0.00 0.10 0.00 0.00 66.02 63.74 3hci s SER 92 CO 0.25 -2.09 0.00 -1.22 0.98 0.00 0.00 173.24 171.17 3hci n TYR 93 N -2.49 0.00 -1.60 5.02 4.01 -1.26 -2.19 117.16 118.66 3hci n TYR 93 Ca 0.13 0.00 -0.18 0.00 -0.16 0.00 0.00 57.90 57.69 3hci n TYR 93 Cb 0.50 -2.43 -0.07 0.00 -0.31 0.00 0.00 39.34 37.03 3hci n TYR 93 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3hci n GLY 94 N -0.80 1.60 3.95 2.72 0.00 -1.13 -5.01 105.19 106.53 3hci n GLY 94 Ca -0.12 -0.15 -0.19 0.00 0.00 0.00 0.00 46.02 45.56 3hci n GLY 94 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3hci s MET 95 N -3.65 2.96 -0.29 1.61 -1.94 -0.93 -5.10 119.30 111.96 3hci s MET 95 Ca 0.00 -1.14 0.00 0.00 -1.71 0.00 0.00 55.69 52.84 3hci s MET 95 Cb 0.00 -2.71 0.06 0.00 2.01 0.00 0.00 34.83 34.19 3hci s MET 95 CO 0.00 0.01 -0.04 0.08 -0.01 0.00 0.00 175.02 175.06 3hci s VAL 96 N -2.25 2.66 0.27 -6.03 1.01 -1.26 -4.16 120.40 110.64 3hci s VAL 96 Ca 0.46 -1.53 0.02 0.00 0.00 0.00 0.00 61.98 60.92 3hci s VAL 96 Cb -0.08 -2.56 -0.05 0.00 0.00 0.00 0.00 36.38 33.69 3hci s VAL 96 CO 0.30 -0.11 0.12 -0.13 0.00 0.00 0.00 175.10 175.28 3hci s ARG 97 N 1.18 1.48 -0.28 2.72 0.52 -0.28 -5.03 118.95 119.26 3hci s ARG 97 Ca -0.06 -1.82 0.01 0.00 -0.52 0.00 0.00 55.73 53.35 3hci s ARG 97 Cb -0.20 -0.19 0.06 0.00 0.52 0.00 0.00 34.95 35.14 3hci s ARG 97 CO -0.03 -0.36 -0.06 0.99 0.02 0.00 0.00 175.30 175.86 3hci s THR 98 N -3.71 2.46 0.37 0.02 2.01 -1.26 -1.37 115.64 114.16 3hci s THR 98 Ca 0.37 -1.60 -0.26 0.00 0.31 0.00 0.00 61.69 60.52 3hci s THR 98 Cb 0.07 -2.46 -0.09 0.00 0.01 0.00 0.00 72.50 70.03 3hci s THR 98 CO 0.15 -0.09 1.10 -0.70 -0.69 0.00 0.00 174.62 174.39 3hci s GLU 99 N 1.14 4.24 -0.15 4.92 2.12 0.12 -1.48 118.70 129.61 3hci s GLU 99 Ca -0.07 1.69 -0.03 0.00 0.36 0.00 0.00 54.97 56.93 3hci s GLU 99 Cb -0.20 -2.74 -0.03 0.00 0.26 0.00 0.00 34.13 31.42 3hci s GLU 99 CO -0.04 -0.12 -0.04 0.96 -0.54 0.00 0.00 175.26 175.49 3hci s ILE 100 N -1.45 3.90 0.26 -3.70 -4.36 0.02 -0.17 121.20 115.69 3hci s ILE 100 Ca 0.54 -0.36 0.12 0.00 -0.26 0.00 0.00 60.65 60.69 3hci s ILE 100 Cb -0.27 -2.70 -0.05 0.00 1.25 0.00 0.00 42.46 40.69 3hci s ILE 100 CO 0.35 0.50 -0.21 0.68 0.24 0.00 0.00 174.94 176.50 3hci s VAL 101 N 0.26 2.44 -0.02 8.37 -7.23 0.43 -1.94 120.40 122.72 3hci s VAL 101 Ca -0.03 -2.31 -0.30 0.00 -1.81 0.00 0.00 61.98 57.53 3hci s VAL 101 Cb -0.14 -2.25 -0.06 0.00 0.56 0.00 0.00 36.38 34.49 3hci s VAL 101 CO 0.03 -0.33 1.57 0.00 -0.31 0.00 0.00 175.10 176.05 3hci h ALA 103 N 8.78 1.26 0.00 0.00 0.00 -1.56 0.25 119.26 127.98 3hci h ALA 103 Ca -0.39 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.47 3hci h ALA 103 Cb 1.18 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.96 3hci h ALA 103 CO 0.94 0.03 -0.34 -0.09 0.00 0.00 0.00 179.25 179.79 3hci h ARG 104 N 0.00 0.00 -0.01 0.00 2.43 -1.80 -3.42 114.38 111.58 3hci h ARG 104 Ca -0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 3hci h ARG 104 Cb 0.11 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.66 3hci h ARG 104 CO 0.00 0.24 -0.61 0.00 -1.51 0.00 0.00 179.97 178.09 3hci n ASP 106 N -0.70 -3.56 -4.76 0.00 -0.08 0.87 -4.99 116.55 103.33 3hci n ASP 106 Ca 0.06 0.02 -0.36 0.00 -1.51 0.00 0.00 54.79 52.99 3hci n ASP 106 Cb 0.35 -1.12 0.02 0.00 2.34 0.00 0.00 41.12 42.71 3hci n ASP 106 CO 0.00 0.00 0.00 -0.44 0.12 0.00 0.00 177.20 176.88 3hci s SER 107 N -2.16 5.43 0.17 1.67 0.01 -1.26 -4.67 113.70 112.89 3hci s SER 107 Ca 0.00 2.36 -0.30 0.00 1.31 0.00 0.00 55.95 59.32 3hci s SER 107 Cb 0.00 -2.60 -0.08 0.00 0.21 0.00 0.00 66.02 63.56 3hci s SER 107 CO 0.00 -1.43 1.16 -2.28 0.41 0.00 0.00 173.24 171.10 3hci s HIS 108 N -1.61 3.50 -0.01 2.43 2.46 0.37 -1.76 115.29 120.68 3hci s HIS 108 Ca 0.74 1.48 0.00 0.00 0.47 0.00 0.00 55.06 57.76 3hci s HIS 108 Cb -0.29 -3.36 -0.01 0.00 -0.13 0.00 0.00 32.58 28.78 3hci s HIS 108 CO 0.33 -0.96 -0.01 1.28 -2.47 0.00 0.00 174.74 172.91 3hci n LEU 109 N 2.60 2.71 0.00 8.88 4.77 -0.82 -4.40 117.00 130.75 3hci n LEU 109 Ca 0.04 -0.01 0.00 0.00 -0.03 0.00 0.00 56.01 56.01 3hci n LEU 109 Cb 0.45 -0.04 0.00 0.00 -2.33 0.00 0.00 43.42 41.51 3hci n LEU 109 CO 0.55 0.47 0.00 0.61 -1.33 0.00 0.00 177.39 177.69 3hci n GLY 110 N 3.39 -0.27 3.10 -0.72 0.00 -1.17 -1.49 105.19 108.03 3hci n GLY 110 Ca -0.02 -0.65 -0.09 0.00 0.00 0.00 0.00 46.02 45.26 3hci n GLY 110 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3hci s HIS 111 N -4.00 0.61 -0.06 1.61 3.76 -0.80 -0.80 115.29 115.61 3hci s HIS 111 Ca 0.00 -0.94 0.05 0.00 -0.15 0.00 0.00 55.06 54.02 3hci s HIS 111 Cb 0.00 -0.41 -0.02 0.00 1.11 0.00 0.00 32.58 33.26 3hci s HIS 111 CO 0.00 -0.28 -0.21 0.54 -0.85 0.00 0.00 174.74 173.95 3hci s VAL 112 N -3.45 2.47 0.10 -0.90 0.11 -0.55 0.25 120.40 118.42 3hci s VAL 112 Ca 0.05 -0.92 0.06 0.00 -2.93 0.00 0.00 61.98 58.24 3hci s VAL 112 Cb 0.04 -1.93 -0.03 0.00 -1.53 0.00 0.00 36.38 32.93 3hci s VAL 112 CO -0.07 0.57 -0.17 -0.36 -3.33 0.00 0.00 175.10 171.75 3hci s PHE 113 N -0.31 1.47 -0.34 1.54 0.08 0.74 -4.40 117.98 116.76 3hci s PHE 113 Ca 0.01 -0.47 0.03 0.00 0.12 0.00 0.00 56.93 56.63 3hci s PHE 113 Cb -0.13 -0.80 0.34 0.00 -0.57 0.00 0.00 43.02 41.86 3hci s PHE 113 CO 0.02 0.14 1.33 -0.35 -0.10 0.00 0.00 175.22 176.26 3hci n PRO 114 N 1.02 1.97 -0.72 0.24 -0.04 -1.26 -0.19 135.00 136.02 3hci n PRO 114 Ca -0.19 -1.44 0.01 0.00 -0.04 0.00 0.00 63.50 61.83 3hci n PRO 114 Cb 0.55 -1.65 0.20 0.00 -0.04 0.00 0.00 33.50 32.56 3hci n PRO 114 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 3hci n ASP 115 N -0.10 2.10 -4.53 3.54 5.75 -1.23 -4.79 116.55 117.28 3hci n ASP 115 Ca 0.24 -3.86 -0.27 0.00 -0.01 0.00 0.00 54.79 50.88 3hci n ASP 115 Cb 0.95 -0.58 0.13 0.00 -1.03 0.00 0.00 41.12 40.59 3hci n ASP 115 CO 0.00 0.00 0.00 -0.83 -0.11 0.00 0.00 177.20 176.26 3hci s GLY 116 N -2.92 1.73 0.69 6.12 0.00 -0.86 -4.84 107.32 107.25 3hci s GLY 116 Ca 0.41 -1.17 -0.09 0.00 0.00 0.00 0.00 44.72 43.88 3hci s GLY 116 CO -0.04 -0.56 1.03 2.56 0.00 0.00 0.00 173.10 176.09 3hci s PRO 117 N -5.55 2.57 0.60 2.90 0.04 -1.26 -4.19 135.00 130.11 3hci s PRO 117 Ca 0.68 0.09 -0.19 0.00 0.04 0.00 0.00 61.00 61.61 3hci s PRO 117 Cb -0.07 -2.12 -0.03 0.00 0.04 0.00 0.00 34.50 32.32 3hci s PRO 117 CO 0.49 -1.08 1.23 -2.30 0.04 0.00 0.00 177.00 175.37 3hci n PRO 118 N -2.91 1.25 0.19 0.56 -0.02 -1.26 -0.15 135.00 132.65 3hci n PRO 118 Ca 0.07 0.47 0.08 0.00 -2.02 0.00 0.00 63.50 62.10 3hci n PRO 118 Cb 0.59 -2.44 0.17 0.00 -0.02 0.00 0.00 33.50 31.79 3hci n PRO 118 CO 0.00 0.00 0.00 -1.00 1.98 0.00 0.00 175.50 176.48 3hci h PRO 119 N 0.83 0.00 0.02 0.52 0.13 -1.97 -3.45 132.00 128.07 3hci h PRO 119 Ca -0.50 0.00 -0.35 0.00 -0.87 0.00 0.00 66.00 64.27 3hci h PRO 119 Cb 1.33 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 32.41 3hci h PRO 119 CO 0.54 0.24 -2.19 0.25 -0.23 0.00 0.00 178.00 176.60 3hci n THR 120 N -3.19 1.51 -1.03 1.56 -2.24 -1.15 -4.98 114.28 104.76 3hci n THR 120 Ca 0.03 -0.76 -0.01 0.00 -2.27 0.00 0.00 64.05 61.03 3hci n THR 120 Cb 0.59 -0.95 -0.00 0.00 -2.10 0.00 0.00 70.33 67.87 3hci n THR 120 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3hci n GLY 121 N 1.84 0.48 3.27 3.38 0.00 0.78 -5.00 105.19 109.94 3hci n GLY 121 Ca -0.32 -0.89 -0.29 0.00 0.00 0.00 0.00 46.02 44.52 3hci n GLY 121 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3hci s GLU 122 N -1.83 1.91 -0.28 1.61 2.12 -1.26 -2.02 118.70 118.95 3hci s GLU 122 Ca 0.00 -0.86 0.02 0.00 0.36 0.00 0.00 54.97 54.49 3hci s GLU 122 Cb 0.00 -1.86 0.08 0.00 0.26 0.00 0.00 34.13 32.61 3hci s GLU 122 CO 0.00 0.51 0.00 0.50 -0.54 0.00 0.00 175.26 175.73 3hci s ARG 123 N -0.60 1.44 -0.33 4.30 3.52 0.73 -4.21 118.95 123.81 3hci s ARG 123 Ca 0.09 -1.29 -0.27 0.00 -0.13 0.00 0.00 55.73 54.13 3hci s ARG 123 Cb -0.09 -2.67 0.01 0.00 -1.56 0.00 0.00 34.95 30.64 3hci s ARG 123 CO -0.01 -0.77 0.97 -1.01 -0.81 0.00 0.00 175.30 173.66 3hci s HIS 124 N 1.27 3.14 -0.31 5.12 3.76 0.30 -0.18 115.29 128.38 3hci s HIS 124 Ca 0.02 0.99 -0.11 0.00 -0.15 0.00 0.00 55.06 55.81 3hci s HIS 124 Cb -0.19 -3.57 -0.02 0.00 1.11 0.00 0.00 32.58 29.91 3hci s HIS 124 CO -0.10 -0.74 0.19 0.45 -0.85 0.00 0.00 174.74 173.69 3hci s SER 125 N 1.71 5.84 0.05 1.40 0.15 0.14 -1.61 113.70 121.37 3hci s SER 125 Ca 0.40 -0.36 0.05 0.00 0.70 0.00 0.00 55.95 56.74 3hci s SER 125 Cb -0.13 -2.08 -0.04 0.00 -1.71 0.00 0.00 66.02 62.07 3hci s SER 125 CO 0.16 -0.18 -0.07 -0.76 1.20 0.00 0.00 173.24 173.59 3hci s LEU 126 N 1.69 3.14 -0.14 3.45 2.01 -0.29 -1.90 118.68 126.64 3hci s LEU 126 Ca 0.06 -0.24 -0.28 0.00 0.01 0.00 0.00 54.13 53.68 3hci s LEU 126 Cb -0.17 -1.86 -0.01 0.00 0.01 0.00 0.00 46.19 44.16 3hci s LEU 126 CO 0.09 0.23 0.96 0.20 1.01 0.00 0.00 176.35 178.84 3hci s ASN 127 N -1.79 7.15 0.48 2.29 0.01 -0.56 -3.54 114.94 118.98 3hci s ASN 127 Ca 0.19 1.41 0.15 0.00 -0.71 0.00 0.00 52.86 53.91 3hci s ASN 127 Cb -0.11 -2.52 1.16 0.00 0.41 0.00 0.00 41.25 40.18 3hci s ASN 127 CO 0.11 -0.45 2.07 -1.28 -1.51 0.00 0.00 177.10 176.03 3hci h SER 128 N 7.19 0.18 1.29 -1.22 0.87 -1.92 -0.98 113.55 118.95 3hci h SER 128 Ca -0.29 -0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.27 3hci h SER 128 Cb 1.13 -0.04 0.00 0.00 -0.44 0.00 0.00 62.40 63.06 3hci h SER 128 CO 0.86 0.12 0.00 1.62 -0.53 0.00 0.00 176.83 178.90 3hci h VAL 129 N 0.20 0.00 0.00 2.23 3.04 -1.97 -2.38 116.25 117.37 3hci h VAL 129 Ca 0.14 -0.62 0.00 0.00 -1.01 0.00 0.00 66.70 65.20 3hci h VAL 129 Cb 0.30 1.60 0.00 0.00 -2.01 0.00 0.00 31.29 31.18 3hci h VAL 129 CO -0.02 0.00 0.00 -1.20 -1.01 0.00 0.00 177.57 175.34 3hci n SER 130 N -2.99 0.00 -4.30 3.17 7.64 -0.37 -4.84 113.62 111.92 3hci n SER 130 Ca 0.02 -0.42 -0.23 0.00 1.01 0.00 0.00 58.87 59.25 3hci n SER 130 Cb 0.37 -0.14 -0.12 0.00 -1.01 0.00 0.00 64.21 63.30 3hci n SER 130 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 3hci s LEU 131 N -2.29 2.35 0.21 -3.43 1.43 -0.90 -1.68 118.68 114.38 3hci s LEU 131 Ca 0.30 -0.76 0.11 0.00 -1.03 0.00 0.00 54.13 52.76 3hci s LEU 131 Cb 0.17 -0.85 -0.05 0.00 0.03 0.00 0.00 46.19 45.49 3hci s LEU 131 CO 0.33 0.02 -0.22 0.00 0.23 0.00 0.00 176.35 176.70 3hci s ALA 132 N -1.52 2.60 -0.06 4.21 0.00 -0.17 -4.68 121.76 122.14 3hci s ALA 132 Ca 0.10 -1.67 0.05 0.00 0.00 0.00 0.00 51.96 50.44 3hci s ALA 132 Cb -0.08 -0.34 -0.02 0.00 0.00 0.00 0.00 23.12 22.68 3hci s ALA 132 CO 0.05 0.41 -0.21 0.12 0.00 0.00 0.00 175.76 176.12 3hci s PHE 133 N -1.82 2.53 -0.20 0.00 5.36 -1.26 0.28 117.98 122.86 3hci s PHE 133 Ca 0.23 -0.56 0.01 0.00 -0.96 0.00 0.00 56.93 55.65 3hci s PHE 133 Cb -0.07 -1.62 0.04 0.00 -0.34 0.00 0.00 43.02 41.03 3hci s PHE 133 CO 0.11 -0.11 -0.09 0.99 -1.46 0.00 0.00 175.22 174.66 3hci s THR 134 N -0.28 1.59 0.52 0.12 2.01 -0.17 -4.99 115.64 114.44 3hci s THR 134 Ca 0.00 -1.00 -0.22 0.00 0.31 0.00 0.00 61.69 60.78 3hci s THR 134 Cb -0.13 -1.69 -0.06 0.00 0.01 0.00 0.00 72.50 70.63 3hci s THR 134 CO 0.03 0.14 1.28 -0.70 -0.69 0.00 0.00 174.62 174.68 3hci s GLU 135 N 1.41 3.36 -0.07 4.92 2.12 -1.26 -0.93 118.70 128.25 3hci s GLU 135 Ca -0.02 2.05 -0.40 0.00 0.36 0.00 0.00 54.97 56.97 3hci s GLU 135 Cb -0.16 -2.30 -0.19 0.00 0.26 0.00 0.00 34.13 31.74 3hci s GLU 135 CO -0.08 -0.96 1.26 -3.47 -0.54 0.00 0.00 175.26 171.47 3hci n ASP 136 N -0.85 0.74 0.00 -1.70 -0.08 0.32 -1.23 116.55 113.75 3hci n ASP 136 Ca 0.09 1.15 0.00 0.00 -1.51 0.00 0.00 54.79 54.52 3hci n ASP 136 Cb 0.46 -1.00 0.00 0.00 2.34 0.00 0.00 41.12 42.93 3hci n ASP 136 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 3hci n GLY 137 N 2.30 2.67 3.84 0.27 0.00 -1.26 -4.95 105.19 108.07 3hci n GLY 137 Ca 0.22 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.92 3hci n GLY 137 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3hci s GLN 138 N -0.20 3.80 0.29 1.61 -1.52 -0.37 -4.59 119.66 118.69 3hci s GLN 138 Ca 0.00 0.95 -0.29 0.00 -1.95 0.00 0.00 55.36 54.07 3hci s GLN 138 Cb 0.00 -2.11 -0.10 0.00 -0.22 0.00 0.00 33.01 30.58 3hci s GLN 138 CO 0.00 -0.40 1.14 -1.25 -0.25 0.00 0.00 175.29 174.53 3hci s PRO 139 N -4.26 4.59 0.63 2.91 0.04 -1.26 -1.10 135.00 136.55 3hci s PRO 139 Ca 0.59 1.88 -0.17 0.00 0.04 0.00 0.00 61.00 63.34 3hci s PRO 139 Cb -0.11 -3.16 -0.01 0.00 0.04 0.00 0.00 34.50 31.25 3hci s PRO 139 CO 0.36 0.14 1.15 -0.51 0.04 0.00 0.00 177.00 178.18 3hci s LEU 140 N -1.52 3.52 0.33 -3.56 1.43 -1.26 -4.88 118.68 112.75 3hci s LEU 140 Ca 0.45 2.19 0.04 0.00 -1.03 0.00 0.00 54.13 55.78 3hci s LEU 140 Cb -0.33 -4.58 0.59 0.00 0.03 0.00 0.00 46.19 41.90 3hci s LEU 140 CO 0.43 -1.64 1.88 1.55 0.23 0.00 0.00 176.35 178.80 3hci h PRO 141 N 0.42 0.57 -6.99 1.29 0.13 -1.89 -3.47 132.00 122.05 3hci h PRO 141 Ca -0.48 -0.11 -0.61 0.00 -0.87 0.00 0.00 66.00 63.92 3hci h PRO 141 Cb 1.27 -0.09 -0.06 0.00 0.13 0.00 0.00 31.00 32.25 3hci h PRO 141 CO 0.54 0.57 -1.01 -1.71 -0.23 0.00 0.00 178.00 176.16 3hci n ASN 142 N -4.29 -2.93 0.24 1.44 5.15 -1.26 -4.82 115.26 108.79 3hci n ASN 142 Ca 0.02 -1.31 0.16 0.00 -0.60 0.00 0.00 54.58 52.86 3hci n ASN 142 Cb 0.23 -1.61 0.70 0.00 -0.53 0.00 0.00 39.78 38.57 3hci n ASN 142 CO 0.00 0.00 0.00 -0.65 1.40 0.00 0.00 177.26 178.01 3hci h PRO 143 N -2.48 0.00 -0.13 1.20 0.11 -1.92 -1.57 132.00 127.21 3hci h PRO 143 Ca -0.71 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.40 3hci h PRO 143 Cb 1.41 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.52 3hci h PRO 143 CO 0.56 0.00 0.00 1.28 -0.21 0.00 0.00 178.00 179.63 3hci n LEU 144 N -2.82 1.95 -3.65 2.35 4.77 -1.26 -4.99 117.00 113.34 3hci n LEU 144 Ca 0.00 -0.75 -0.23 0.00 -0.03 0.00 0.00 56.01 55.00 3hci n LEU 144 Cb 0.24 -0.08 0.01 0.00 -2.33 0.00 0.00 43.42 41.26 3hci n LEU 144 CO 0.23 0.38 -0.09 0.00 -1.33 0.00 0.00 177.39 176.58 3hci n GLN 145 N 0.51 -1.32 -4.31 3.23 6.02 -0.59 -4.99 117.38 115.94 3hci n GLN 145 Ca 0.17 0.80 -0.27 0.00 -0.01 0.00 0.00 57.00 57.70 3hci n GLN 145 Cb 0.40 -3.28 -0.09 0.00 1.02 0.00 0.00 30.24 28.28 3hci n GLN 145 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 177.06 177.08 3hci s ARG 146 N -4.94 2.01 0.36 -1.09 0.52 -1.26 -5.14 118.95 109.41 3hci s ARG 146 Ca 0.12 -1.30 -0.04 0.00 -0.52 0.00 0.00 55.73 53.98 3hci s ARG 146 Cb -0.05 -2.12 0.08 0.00 0.52 0.00 0.00 34.95 33.37 3hci s ARG 146 CO 0.87 0.43 0.50 0.00 0.02 0.00 0.00 175.30 177.11 3hci n ALA 147 N 0.03 -0.33 0.00 2.13 0.00 -1.26 -4.09 120.51 117.00 3hci n ALA 147 Ca -0.11 -0.76 0.00 0.00 0.00 0.00 0.00 53.44 52.57 3hci n ALA 147 Cb 0.56 0.04 0.00 0.00 0.00 0.00 0.00 19.45 20.04 3hci n ALA 147 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3hci n GLY 148 N 1.56 0.24 0.24 0.00 0.00 -1.26 -3.92 105.19 102.05 3hci n GLY 148 Ca 0.07 -0.99 0.17 0.00 0.00 0.00 0.00 46.02 45.26 3hci n GLY 148 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hci h ALA 149 N 0.00 1.00 0.00 4.61 0.00 -1.90 -2.95 119.26 120.02 3hci h ALA 149 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3hci h ALA 149 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 3hci h ALA 149 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 179.25 180.74 3hci h GLU 150 N 0.00 0.00 0.00 0.00 4.81 -1.80 -1.97 114.58 115.62 3hci h GLU 150 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 3hci h GLU 150 Cb 0.24 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.62 3hci h GLU 150 CO 0.00 0.00 -0.38 0.25 -0.73 0.00 0.00 179.01 178.15 3hci n THR 151 N -3.04 0.24 -2.28 0.32 -2.24 -1.11 -4.56 114.28 101.61 3hci n THR 151 Ca 0.02 -0.16 -0.31 0.00 -2.27 0.00 0.00 64.05 61.34 3hci n THR 151 Cb 0.42 -0.16 -0.02 0.00 -2.10 0.00 0.00 70.33 68.46 3hci n THR 151 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 3hci s GLN 152 N -3.08 3.78 0.51 -0.78 -1.52 -0.74 -4.90 119.66 112.93 3hci s GLN 152 Ca 0.10 0.78 -0.22 0.00 -1.95 0.00 0.00 55.36 54.07 3hci s GLN 152 Cb 0.15 -2.16 -0.06 0.00 -0.22 0.00 0.00 33.01 30.72 3hci s GLN 152 CO 0.66 -0.34 1.26 -1.25 -0.25 0.00 0.00 175.29 175.37 3hci s PRO 153 N -4.47 3.38 0.00 2.91 0.04 -1.26 -4.06 135.00 131.54 3hci s PRO 153 Ca 0.56 2.00 0.05 0.00 0.04 0.00 0.00 61.00 63.65 3hci s PRO 153 Cb -0.10 -2.28 0.30 0.00 0.04 0.00 0.00 34.50 32.45 3hci s PRO 153 CO 0.40 -0.93 0.77 0.00 0.04 0.00 0.00 177.00 177.29