#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3imi n HIS 3 N 0.00 2.98 -3.14 -2.53 8.25 -1.26 -5.09 115.22 114.42 3imi n HIS 3 Ca 0.00 -4.05 -0.31 0.00 -0.26 0.00 0.00 57.72 53.10 3imi n HIS 3 Cb 0.00 -0.52 -0.04 0.00 1.12 0.00 0.00 29.99 30.55 3imi n HIS 3 CO 0.00 0.00 0.00 0.95 0.64 0.00 0.00 176.34 177.93 3imi s THR 4 N -2.37 4.84 0.29 1.59 -4.23 -1.26 -4.98 115.64 109.52 3imi s THR 4 Ca 0.40 0.56 0.02 0.00 -1.18 0.00 0.00 61.69 61.48 3imi s THR 4 Cb 0.16 -3.68 0.29 0.00 1.34 0.00 0.00 72.50 70.61 3imi s THR 4 CO -0.03 -0.30 1.87 0.00 -0.54 0.00 0.00 174.62 175.61 3imi h ALA 5 N 1.88 1.54 0.00 3.99 0.00 -1.96 -2.00 119.26 122.71 3imi h ALA 5 Ca -0.47 0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.40 3imi h ALA 5 Cb 1.18 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.73 3imi h ALA 5 CO 0.66 0.26 -0.20 0.22 0.00 0.00 0.00 179.25 180.19 3imi h ASP 6 N 1.00 0.00 -0.10 0.00 3.58 -2.01 -2.46 116.42 116.43 3imi h ASP 6 Ca 0.46 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.91 3imi h ASP 6 Cb 0.40 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.45 3imi h ASP 6 CO -0.21 0.20 0.00 0.59 -2.88 0.00 0.00 179.24 176.93 3imi n ASN 7 N -4.10 2.66 -4.65 2.28 3.02 -0.80 -4.95 115.26 108.72 3imi n ASN 7 Ca -0.02 -1.87 -0.41 0.00 -0.03 0.00 0.00 54.58 52.24 3imi n ASN 7 Cb 0.27 -0.05 -0.04 0.00 -0.61 0.00 0.00 39.78 39.34 3imi n ASN 7 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3imi h ILE 9 N 5.32 1.14 -0.31 0.00 3.07 -1.92 -1.69 117.51 123.12 3imi h ILE 9 Ca -0.26 -0.56 -0.18 0.00 1.55 0.00 0.00 64.86 65.41 3imi h ILE 9 Cb 1.11 1.01 -0.00 0.00 -0.27 0.00 0.00 36.82 38.67 3imi h ILE 9 CO 0.85 0.19 -0.52 -0.26 -1.05 0.00 0.00 178.15 177.36 3imi h PHE 10 N 0.29 1.11 -0.47 0.16 -1.00 -1.95 -0.93 116.94 114.15 3imi h PHE 10 Ca 0.07 -0.39 -0.03 0.00 2.81 0.00 0.00 57.97 60.43 3imi h PHE 10 Cb 0.23 -0.21 -0.02 0.00 3.61 0.00 0.00 35.95 39.55 3imi h PHE 10 CO 0.00 1.22 0.17 0.00 -1.61 0.00 0.00 178.31 178.10 3imi h LYS 12 N 0.67 0.28 -0.17 0.00 1.57 -1.04 0.36 116.57 118.25 3imi h LYS 12 Ca 0.16 -0.11 -0.06 0.00 -1.87 0.00 0.00 60.65 58.77 3imi h LYS 12 Cb 0.16 -0.02 -0.00 0.00 0.08 0.00 0.00 32.23 32.45 3imi h LYS 12 CO -0.01 0.57 -0.12 0.82 -0.57 0.00 0.00 179.45 180.14 3imi h ILE 13 N 0.25 1.33 -0.79 1.86 2.04 -0.48 0.10 117.51 121.82 3imi h ILE 13 Ca 0.03 -1.23 0.01 0.00 1.00 0.00 0.00 64.86 64.67 3imi h ILE 13 Cb 0.68 1.76 -0.04 0.00 -0.74 0.00 0.00 36.82 38.48 3imi h ILE 13 CO 0.05 0.37 0.53 0.40 0.00 0.00 0.00 178.15 179.49 3imi h ILE 14 N 0.05 1.19 0.00 -0.67 2.04 -0.77 -1.61 117.51 117.74 3imi h ILE 14 Ca 0.03 -0.36 0.00 0.00 1.00 0.00 0.00 64.86 65.53 3imi h ILE 14 Cb 0.63 0.04 0.00 0.00 -0.74 0.00 0.00 36.82 36.75 3imi h ILE 14 CO 0.03 0.19 0.00 -0.67 0.00 0.00 0.00 178.15 177.71 3imi n ASP 15 N -4.42 0.00 0.00 1.72 2.03 0.10 -4.91 116.55 111.07 3imi n ASP 15 Ca 0.09 0.04 0.00 0.00 0.52 0.00 0.00 54.79 55.44 3imi n ASP 15 Cb 0.04 -0.34 0.00 0.00 -0.72 0.00 0.00 41.12 40.10 3imi n ASP 15 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3imi n GLY 16 N 1.15 0.46 0.10 0.27 0.00 -0.60 -4.93 105.19 101.65 3imi n GLY 16 Ca 0.12 -0.46 -0.03 0.00 0.00 0.00 0.00 46.02 45.64 3imi n GLY 16 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 3imi h GLN 17 N 0.61 0.00 -4.81 1.61 4.20 -1.05 -3.45 115.11 112.23 3imi h GLN 17 Ca 0.00 0.00 -0.33 0.00 0.06 0.00 0.00 58.65 58.38 3imi h GLN 17 Cb 0.00 0.00 -0.22 0.00 0.30 0.00 0.00 27.48 27.56 3imi h GLN 17 CO 0.00 0.77 -0.75 0.96 -0.67 0.00 0.00 178.83 179.14 3imi s ILE 18 N -3.13 0.72 0.55 2.54 -4.36 -1.19 -5.00 121.20 111.32 3imi s ILE 18 Ca 0.00 -1.08 -0.14 0.00 -0.26 0.00 0.00 60.65 59.17 3imi s ILE 18 Cb 0.11 -0.74 -0.06 0.00 1.25 0.00 0.00 42.46 43.01 3imi s ILE 18 CO 0.78 -0.28 1.00 -0.76 0.24 0.00 0.00 174.94 175.92 3imi s LEU 19 N -1.50 3.48 0.09 0.37 1.43 -1.26 -4.45 118.68 116.85 3imi s LEU 19 Ca -0.06 1.50 -0.07 0.00 -1.03 0.00 0.00 54.13 54.47 3imi s LEU 19 Cb -0.09 -4.48 -0.01 0.00 0.03 0.00 0.00 46.19 41.63 3imi s LEU 19 CO 0.01 -0.69 0.17 0.00 0.23 0.00 0.00 176.35 176.07 3imi s SER 21 N -2.89 6.29 0.11 0.00 0.01 -1.26 -5.02 113.70 110.93 3imi s SER 21 Ca 0.08 -1.85 -0.30 0.00 1.31 0.00 0.00 55.95 55.18 3imi s SER 21 Cb 0.05 -2.24 -0.06 0.00 0.21 0.00 0.00 66.02 63.98 3imi s SER 21 CO -0.09 -0.88 1.11 -0.75 0.41 0.00 0.00 173.24 173.04 3imi s LYS 22 N 1.66 4.54 -0.14 12.44 2.20 -1.26 -1.53 119.74 137.64 3imi s LYS 22 Ca 0.08 1.68 0.09 0.00 -0.36 0.00 0.00 55.97 57.46 3imi s LYS 22 Cb -0.25 -3.33 -0.15 0.00 -1.51 0.00 0.00 37.83 32.58 3imi s LYS 22 CO 0.02 -0.06 -0.01 0.28 -0.36 0.00 0.00 175.35 175.22 3imi n VAL 23 N 3.18 0.95 -3.55 4.02 0.31 0.44 -4.94 118.33 118.72 3imi n VAL 23 Ca 0.05 -0.52 -0.11 0.00 -0.01 0.00 0.00 64.34 63.75 3imi n VAL 23 Cb 0.47 -0.77 -0.05 0.00 -0.91 0.00 0.00 33.84 32.58 3imi n VAL 23 CO 0.00 0.00 0.00 -0.47 -1.32 0.00 0.00 176.83 175.04 3imi s TYR 24 N -2.33 -0.42 -0.22 3.52 5.04 -0.95 -4.99 117.35 117.00 3imi s TYR 24 Ca -0.11 0.63 -0.20 0.00 -2.44 0.00 0.00 57.07 54.95 3imi s TYR 24 Cb 0.05 0.46 0.06 0.00 0.35 0.00 0.00 41.96 42.87 3imi s TYR 24 CO 0.51 -0.44 0.58 -2.00 -1.34 0.00 0.00 175.55 172.87 3imi s GLU 25 N -1.56 0.68 0.35 4.97 2.12 -1.26 -0.71 118.70 123.28 3imi s GLU 25 Ca -0.02 0.82 0.01 0.00 0.36 0.00 0.00 54.97 56.14 3imi s GLU 25 Cb -0.00 0.32 -0.01 0.00 0.26 0.00 0.00 34.13 34.70 3imi s GLU 25 CO 0.01 -0.08 0.42 0.16 -0.54 0.00 0.00 175.26 175.23 3imi s ASP 26 N 0.34 1.20 0.52 -1.70 1.47 -0.52 -5.00 116.67 112.98 3imi s ASP 26 Ca -0.00 -1.59 0.33 0.00 1.18 0.00 0.00 52.55 52.46 3imi s ASP 26 Cb -0.04 0.64 1.47 0.00 -0.34 0.00 0.00 42.92 44.65 3imi s ASP 26 CO 0.00 -1.24 1.83 -0.08 0.68 0.00 0.00 175.17 176.36 3imi h GLU 27 N 2.10 0.05 0.00 2.11 4.81 -2.03 -2.95 114.58 118.67 3imi h GLU 27 Ca -0.27 -0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.95 3imi h GLU 27 Cb 1.24 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 30.61 3imi h GLU 27 CO 0.38 0.03 -1.10 0.72 -0.73 0.00 0.00 179.01 178.31 3imi n HIS 28 N -4.27 0.00 -3.98 0.92 8.25 -1.26 -4.86 115.22 110.02 3imi n HIS 28 Ca 0.23 0.00 -0.09 0.00 -0.26 0.00 0.00 57.72 57.61 3imi n HIS 28 Cb 1.10 -0.15 -0.10 0.00 1.12 0.00 0.00 29.99 31.97 3imi n HIS 28 CO 0.00 0.00 0.00 0.14 0.64 0.00 0.00 176.34 177.12 3imi s VAL 29 N -2.43 0.15 -0.02 1.59 -7.23 -1.12 -0.42 120.40 110.92 3imi s VAL 29 Ca -0.01 -1.25 0.02 0.00 -1.81 0.00 0.00 61.98 58.92 3imi s VAL 29 Cb 0.07 -0.95 0.00 0.00 0.56 0.00 0.00 36.38 36.07 3imi s VAL 29 CO 0.42 -0.69 -0.07 -0.22 -0.31 0.00 0.00 175.10 174.23 3imi s LEU 30 N -2.23 1.76 -0.05 1.32 2.96 -0.23 -1.44 118.68 120.77 3imi s LEU 30 Ca -0.04 -0.14 0.04 0.00 -0.22 0.00 0.00 54.13 53.78 3imi s LEU 30 Cb -0.00 -0.42 -0.00 0.00 0.50 0.00 0.00 46.19 46.26 3imi s LEU 30 CO -0.06 0.04 -0.19 0.00 -1.32 0.00 0.00 176.35 174.82 3imi s ALA 31 N 0.24 1.69 0.16 5.97 0.00 0.11 -1.05 121.76 128.88 3imi s ALA 31 Ca -0.03 -0.76 -0.15 0.00 0.00 0.00 0.00 51.96 51.02 3imi s ALA 31 Cb -0.08 -0.58 0.02 0.00 0.00 0.00 0.00 23.12 22.49 3imi s ALA 31 CO 0.00 0.29 0.41 -0.59 0.00 0.00 0.00 175.76 175.87 3imi s PHE 32 N 0.09 -0.01 0.30 0.00 -0.12 -0.45 -0.42 117.98 117.37 3imi s PHE 32 Ca -0.06 -0.34 -0.29 0.00 -0.05 0.00 0.00 56.93 56.19 3imi s PHE 32 Cb -0.13 0.22 -0.10 0.00 -0.63 0.00 0.00 43.02 42.38 3imi s PHE 32 CO 0.03 -0.78 1.24 -0.51 -0.05 0.00 0.00 175.22 175.15 3imi s LEU 33 N -2.87 4.47 -0.18 -1.99 1.43 -0.58 -0.08 118.68 118.88 3imi s LEU 33 Ca 0.09 2.51 -0.29 0.00 -1.03 0.00 0.00 54.13 55.41 3imi s LEU 33 Cb 0.01 -3.64 -0.00 0.00 0.03 0.00 0.00 46.19 42.59 3imi s LEU 33 CO -0.05 -0.41 1.06 -0.62 0.23 0.00 0.00 176.35 176.55 3imi s ASP 34 N -0.49 7.13 0.63 2.29 -1.08 -0.71 -4.73 116.67 119.70 3imi s ASP 34 Ca 0.49 1.48 0.40 0.00 -0.52 0.00 0.00 52.55 54.39 3imi s ASP 34 Cb -0.37 -2.55 2.08 0.00 -1.46 0.00 0.00 42.92 40.63 3imi s ASP 34 CO 0.47 -0.60 2.26 0.16 0.52 0.00 0.00 175.17 177.98 3imi h ILE 35 N 5.32 0.09 0.00 4.11 3.07 -1.94 -0.68 117.51 127.49 3imi h ILE 35 Ca -0.24 -0.16 -0.02 0.00 1.55 0.00 0.00 64.86 65.99 3imi h ILE 35 Cb 1.10 1.14 -0.00 0.00 -0.27 0.00 0.00 36.82 38.78 3imi h ILE 35 CO 0.94 0.01 -0.12 0.28 -1.05 0.00 0.00 178.15 178.21 3imi h SER 36 N 0.00 0.00 -6.80 2.16 0.02 -1.95 -3.47 113.55 103.51 3imi h SER 36 Ca -0.00 0.00 -0.49 0.00 -0.84 0.00 0.00 61.79 60.46 3imi h SER 36 Cb 0.14 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.67 3imi h SER 36 CO 0.00 0.12 -0.95 0.00 -1.14 0.00 0.00 176.83 174.85 3imi n GLN 37 N -3.71 -0.85 0.12 3.45 1.13 -0.26 -4.77 117.38 112.48 3imi n GLN 37 Ca -0.02 0.33 0.16 0.00 -1.94 0.00 0.00 57.00 55.54 3imi n GLN 37 Cb 0.23 -2.01 0.71 0.00 0.11 0.00 0.00 30.24 29.28 3imi n GLN 37 CO 0.00 0.00 0.00 -0.39 -1.44 0.00 0.00 177.06 175.23 3imi h VAL 38 N -1.07 0.74 -3.93 5.09 -1.51 -1.91 -3.40 116.25 110.25 3imi h VAL 38 Ca -0.61 0.00 -0.11 0.00 -1.23 0.00 0.00 66.70 64.75 3imi h VAL 38 Cb 1.25 0.83 -0.15 0.00 -2.13 0.00 0.00 31.29 31.09 3imi h VAL 38 CO 0.39 0.00 -0.51 0.42 -1.23 0.00 0.00 177.57 176.65 3imi s THR 39 N -4.93 0.16 -0.01 7.19 -4.23 -1.26 -1.12 115.64 111.44 3imi s THR 39 Ca -0.05 -1.34 -0.30 0.00 -1.18 0.00 0.00 61.69 58.82 3imi s THR 39 Cb 0.18 -1.26 -0.07 0.00 1.34 0.00 0.00 72.50 72.68 3imi s THR 39 CO 0.67 -0.74 1.87 -0.75 -0.54 0.00 0.00 174.62 175.13 3imi s LYS 40 N -3.51 4.09 0.00 3.99 2.20 -1.26 -2.06 119.74 123.19 3imi s LYS 40 Ca 0.03 2.42 0.00 0.00 -0.36 0.00 0.00 55.97 58.05 3imi s LYS 40 Cb 0.04 -4.12 0.00 0.00 -1.51 0.00 0.00 37.83 32.25 3imi s LYS 40 CO -0.09 -1.00 0.00 0.41 -0.36 0.00 0.00 175.35 174.32 3imi n GLY 41 N 4.48 0.66 3.69 5.54 0.00 -1.26 -4.72 105.19 113.58 3imi n GLY 41 Ca 0.20 0.00 -0.53 0.00 0.00 0.00 0.00 46.02 45.69 3imi n GLY 41 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 3imi n HIS 42 N -2.02 2.15 -4.48 1.61 -0.00 -0.87 -4.78 115.22 106.82 3imi n HIS 42 Ca 0.00 0.29 -0.21 0.00 -0.00 0.00 0.00 57.72 57.80 3imi n HIS 42 Cb 0.00 -2.54 -0.14 0.00 -0.00 0.00 0.00 29.99 27.31 3imi n HIS 42 CO 0.00 0.00 0.00 0.99 -0.00 0.00 0.00 176.34 177.33 3imi s THR 43 N 3.41 1.19 -0.04 3.57 2.01 -0.32 -1.73 115.64 123.73 3imi s THR 43 Ca 0.94 -0.91 -0.00 0.00 0.31 0.00 0.00 61.69 62.02 3imi s THR 43 Cb -0.88 -1.05 -0.03 0.00 0.01 0.00 0.00 72.50 70.55 3imi s THR 43 CO 0.57 0.12 0.01 -0.76 -0.69 0.00 0.00 174.62 173.87 3imi s LEU 44 N -0.91 3.58 -0.12 4.42 1.43 0.89 -0.10 118.68 127.87 3imi s LEU 44 Ca 0.04 0.08 0.02 0.00 -1.03 0.00 0.00 54.13 53.24 3imi s LEU 44 Cb -0.07 -1.94 0.01 0.00 0.03 0.00 0.00 46.19 44.22 3imi s LEU 44 CO 0.01 0.33 -0.18 -0.69 0.23 0.00 0.00 176.35 176.04 3imi s VAL 45 N -1.00 1.73 0.03 -1.59 1.01 -0.52 -1.34 120.40 118.73 3imi s VAL 45 Ca 0.17 -0.79 0.02 0.00 0.00 0.00 0.00 61.98 61.37 3imi s VAL 45 Cb -0.11 -1.55 -0.02 0.00 0.00 0.00 0.00 36.38 34.69 3imi s VAL 45 CO 0.07 0.49 -0.06 0.27 0.00 0.00 0.00 175.10 175.86 3imi s ILE 46 N 0.84 0.43 0.49 2.22 -4.36 -0.21 -1.40 121.20 119.21 3imi s ILE 46 Ca -0.08 -0.82 -0.20 0.00 -0.26 0.00 0.00 60.65 59.29 3imi s ILE 46 Cb -0.15 -0.48 -0.08 0.00 1.25 0.00 0.00 42.46 43.00 3imi s ILE 46 CO -0.00 -0.27 1.05 -2.16 0.24 0.00 0.00 174.94 173.80 3imi s PRO 47 N -1.16 3.75 0.38 0.37 0.04 -1.26 -1.07 135.00 136.04 3imi s PRO 47 Ca -0.08 1.40 0.17 0.00 0.04 0.00 0.00 61.00 62.53 3imi s PRO 47 Cb -0.08 -2.09 0.74 0.00 0.04 0.00 0.00 34.50 33.11 3imi s PRO 47 CO 0.00 -0.48 1.78 0.87 0.04 0.00 0.00 177.00 179.21 3imi h LYS 48 N 1.53 0.00 -6.67 4.56 1.57 -1.07 -3.43 116.57 113.06 3imi h LYS 48 Ca -0.50 0.00 -0.50 0.00 -1.87 0.00 0.00 60.65 57.78 3imi h LYS 48 Cb 1.23 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.52 3imi h LYS 48 CO 0.59 0.38 0.36 0.08 -0.57 0.00 0.00 179.45 180.28 3imi s VAL 49 N -3.83 4.27 -0.36 0.50 1.01 -1.26 -4.99 120.40 115.72 3imi s VAL 49 Ca -0.01 2.08 -0.29 0.00 0.00 0.00 0.00 61.98 63.76 3imi s VAL 49 Cb 0.12 -4.33 0.00 0.00 0.00 0.00 0.00 36.38 32.18 3imi s VAL 49 CO 0.69 0.42 1.49 -2.28 0.00 0.00 0.00 175.10 175.42 3imi s HIS 50 N -0.64 2.30 -0.07 5.22 2.46 -1.26 -4.95 115.29 118.35 3imi s HIS 50 Ca 0.44 0.67 0.02 0.00 0.47 0.00 0.00 55.06 56.66 3imi s HIS 50 Cb -0.25 -4.20 0.02 0.00 -0.13 0.00 0.00 32.58 28.02 3imi s HIS 50 CO 0.31 -2.22 -0.10 0.15 -2.47 0.00 0.00 174.74 170.41 3imi s LYS 51 N 4.95 1.53 0.27 2.88 -0.14 -1.26 -5.05 119.74 122.92 3imi s LYS 51 Ca 0.65 -0.34 0.01 0.00 -1.36 0.00 0.00 55.97 54.93 3imi s LYS 51 Cb -0.17 -1.33 0.38 0.00 -1.68 0.00 0.00 37.83 35.04 3imi s LYS 51 CO 0.31 -0.03 1.73 0.37 -0.76 0.00 0.00 175.35 176.97 3imi h GLN 52 N 7.15 0.57 0.00 1.68 4.15 -1.92 0.46 115.11 127.20 3imi h GLN 52 Ca -0.32 -0.20 0.02 0.00 0.77 0.00 0.00 58.65 58.92 3imi h GLN 52 Cb 1.17 -0.04 -0.00 0.00 0.21 0.00 0.00 27.48 28.82 3imi h GLN 52 CO 0.47 0.73 0.12 -0.40 -1.93 0.00 0.00 178.83 177.82 3imi n ASP 53 N -4.15 -0.58 -0.18 -0.69 5.68 -1.26 -3.03 116.55 112.35 3imi n ASP 53 Ca 0.00 -1.36 0.06 0.00 -0.50 0.00 0.00 54.79 52.99 3imi n ASP 53 Cb 0.38 0.96 0.35 0.00 -1.14 0.00 0.00 41.12 41.67 3imi n ASP 53 CO 0.00 0.00 0.00 -0.29 -1.33 0.00 0.00 177.20 175.58 3imi h ILE 54 N 1.28 1.02 0.00 2.12 6.09 -1.92 -2.10 117.51 124.00 3imi h ILE 54 Ca -0.09 -0.26 -0.05 0.00 -1.37 0.00 0.00 64.86 63.09 3imi h ILE 54 Cb 0.35 0.21 -0.01 0.00 0.47 0.00 0.00 36.82 37.84 3imi h ILE 54 CO 0.11 0.14 -0.25 -0.26 -3.07 0.00 0.00 178.15 174.82 3imi h PHE 55 N 0.75 0.00 -0.01 2.19 0.04 -2.00 -2.52 116.94 115.38 3imi h PHE 55 Ca 0.31 0.00 0.00 0.00 2.80 0.00 0.00 57.97 61.08 3imi h PHE 55 Cb 0.25 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.40 3imi h PHE 55 CO -0.00 0.25 -0.02 0.00 -0.60 0.00 0.00 178.31 177.94 3imi n ALA 56 N -2.33 2.62 -1.77 2.45 0.00 -0.79 -4.92 120.51 115.77 3imi n ALA 56 Ca -0.01 -0.42 -0.38 0.00 0.00 0.00 0.00 53.44 52.62 3imi n ALA 56 Cb 0.36 -1.19 -0.05 0.00 0.00 0.00 0.00 19.45 18.57 3imi n ALA 56 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3imi s LEU 57 N -2.04 4.39 0.24 0.00 1.43 -0.95 -4.92 118.68 116.83 3imi s LEU 57 Ca 0.38 2.06 0.03 0.00 -1.03 0.00 0.00 54.13 55.57 3imi s LEU 57 Cb 0.21 -3.88 -0.03 0.00 0.03 0.00 0.00 46.19 42.52 3imi s LEU 57 CO 0.35 -0.19 0.39 0.42 0.23 0.00 0.00 176.35 177.55 3imi s THR 58 N -1.41 5.23 0.27 5.49 -4.23 -1.26 -4.93 115.64 114.80 3imi s THR 58 Ca 0.49 -0.77 0.01 0.00 -1.18 0.00 0.00 61.69 60.24 3imi s THR 58 Cb -0.25 -3.83 0.26 0.00 1.34 0.00 0.00 72.50 70.01 3imi s THR 58 CO 0.32 -0.33 1.77 -0.65 -0.54 0.00 0.00 174.62 175.19 3imi h PRO 59 N 1.31 0.65 -0.52 3.99 0.11 -1.99 -0.41 132.00 135.15 3imi h PRO 59 Ca -0.51 -0.04 -0.09 0.00 0.11 0.00 0.00 66.00 65.48 3imi h PRO 59 Cb 1.22 -0.15 -0.02 0.00 0.11 0.00 0.00 31.00 32.16 3imi h PRO 59 CO 0.63 0.43 -0.02 1.05 -0.21 0.00 0.00 178.00 179.88 3imi h GLU 60 N 0.67 0.89 -0.19 1.05 4.11 -1.99 -0.41 114.58 118.71 3imi h GLU 60 Ca 0.49 -0.27 -0.08 0.00 0.07 0.00 0.00 59.36 59.58 3imi h GLU 60 Cb 0.70 -0.09 -0.00 0.00 0.50 0.00 0.00 28.75 29.86 3imi h GLU 60 CO -0.37 0.90 -0.18 0.82 0.07 0.00 0.00 179.01 180.25 3imi h ILE 61 N 0.82 1.33 -0.79 -1.06 1.08 -1.76 -2.50 117.51 114.62 3imi h ILE 61 Ca 0.15 -1.33 0.03 0.00 -0.39 0.00 0.00 64.86 63.32 3imi h ILE 61 Cb 0.52 1.77 -0.05 0.00 -3.07 0.00 0.00 36.82 35.99 3imi h ILE 61 CO 0.03 0.40 0.51 0.00 -0.69 0.00 0.00 178.15 178.40 3imi h ALA 62 N 0.64 1.04 -0.51 1.87 0.00 -0.95 -1.56 119.26 119.79 3imi h ALA 62 Ca 0.03 -0.03 -0.10 0.00 0.00 0.00 0.00 54.91 54.81 3imi h ALA 62 Cb 0.72 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 18.22 3imi h ALA 62 CO 0.05 0.33 -0.07 0.66 0.00 0.00 0.00 179.25 180.22 3imi h SER 63 N 0.99 0.90 -0.55 0.00 4.64 -1.07 -2.21 113.55 116.24 3imi h SER 63 Ca 0.31 -0.26 -0.01 0.00 -0.47 0.00 0.00 61.79 61.36 3imi h SER 63 Cb -0.00 -0.24 -0.03 0.00 -0.31 0.00 0.00 62.40 61.82 3imi h SER 63 CO -0.11 0.99 0.32 0.45 -0.87 0.00 0.00 176.83 177.61 3imi h HIS 64 N 0.83 0.73 -0.07 4.77 -0.00 -0.89 -1.00 115.15 119.53 3imi h HIS 64 Ca 0.14 -0.01 -0.00 0.00 -0.00 0.00 0.00 60.37 60.50 3imi h HIS 64 Cb 0.58 -0.24 -0.00 0.00 -0.00 0.00 0.00 27.41 27.75 3imi h HIS 64 CO 0.03 0.52 0.03 0.82 -0.00 0.00 0.00 177.93 179.34 3imi h ILE 65 N 0.74 1.09 0.00 2.45 2.04 -1.14 -3.25 117.51 119.44 3imi h ILE 65 Ca 0.19 -0.26 -0.12 0.00 1.00 0.00 0.00 64.86 65.68 3imi h ILE 65 Cb 0.01 1.14 -0.02 0.00 -0.74 0.00 0.00 36.82 37.22 3imi h ILE 65 CO -0.03 0.08 -0.57 0.15 0.00 0.00 0.00 178.15 177.78 3imi h PHE 66 N 0.01 0.00 -0.07 1.37 3.57 -1.32 -3.24 116.94 117.25 3imi h PHE 66 Ca 0.02 0.00 0.02 0.00 3.53 0.00 0.00 57.97 61.54 3imi h PHE 66 Cb 0.09 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 38.83 3imi h PHE 66 CO -0.04 0.57 0.08 0.66 -2.23 0.00 0.00 178.31 177.34 3imi h SER 67 N 0.00 0.00 0.21 0.41 4.64 -1.21 -1.53 113.55 116.07 3imi h SER 67 Ca -0.01 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.31 3imi h SER 67 Cb 1.42 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.51 3imi h SER 67 CO 0.07 0.00 -1.02 1.33 -0.87 0.00 0.00 176.83 176.34 3imi n VAL 68 N -3.78 0.05 -0.12 0.95 0.24 -1.22 -4.51 118.33 109.94 3imi n VAL 68 Ca -0.01 -0.12 -0.08 0.00 -2.04 0.00 0.00 64.34 62.09 3imi n VAL 68 Cb 0.18 0.55 0.00 0.00 -1.47 0.00 0.00 33.84 33.10 3imi n VAL 68 CO 0.00 0.00 0.00 0.58 -2.14 0.00 0.00 176.83 175.27 3imi h VAL 69 N 0.00 1.07 -0.76 3.34 2.07 -1.38 -2.43 116.25 118.17 3imi h VAL 69 Ca 0.00 -0.17 0.02 0.00 0.82 0.00 0.00 66.70 67.37 3imi h VAL 69 Cb 0.61 0.54 -0.04 0.00 -1.52 0.00 0.00 31.29 30.88 3imi h VAL 69 CO 0.00 0.09 0.49 -0.65 0.02 0.00 0.00 177.57 177.52 3imi h PRO 70 N 0.49 0.95 -0.26 1.57 0.11 -1.79 0.21 132.00 133.28 3imi h PRO 70 Ca 0.15 -0.06 -0.09 0.00 0.11 0.00 0.00 66.00 66.11 3imi h PRO 70 Cb -0.03 -0.22 -0.01 0.00 0.11 0.00 0.00 31.00 30.85 3imi h PRO 70 CO -0.05 0.63 -0.21 1.57 -0.21 0.00 0.00 178.00 179.73 3imi h LYS 71 N 0.98 0.48 -0.30 1.05 2.10 -1.81 0.17 116.57 119.24 3imi h LYS 71 Ca 0.29 -0.17 -0.12 0.00 -2.00 0.00 0.00 60.65 58.66 3imi h LYS 71 Cb -0.06 -0.04 -0.01 0.00 -0.90 0.00 0.00 32.23 31.23 3imi h LYS 71 CO -0.08 0.67 -0.27 0.82 -2.00 0.00 0.00 179.45 178.59 3imi h ILE 72 N 0.43 1.30 -0.67 0.07 2.04 -0.91 -1.97 117.51 117.81 3imi h ILE 72 Ca 0.07 -1.43 -0.02 0.00 1.00 0.00 0.00 64.86 64.48 3imi h ILE 72 Cb 0.61 1.53 -0.03 0.00 -0.74 0.00 0.00 36.82 38.19 3imi h ILE 72 CO 0.04 0.46 0.32 0.00 0.00 0.00 0.00 178.15 178.97 3imi h ALA 73 N 0.72 0.86 -0.50 1.87 0.00 -0.33 -2.11 119.26 119.78 3imi h ALA 73 Ca 0.05 -0.14 -0.03 0.00 0.00 0.00 0.00 54.91 54.79 3imi h ALA 73 Cb 0.83 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.34 3imi h ALA 73 CO 0.07 0.42 0.17 -0.91 0.00 0.00 0.00 179.25 179.00 3imi h ASN 74 N 0.92 0.66 -0.29 0.00 2.35 -0.57 -1.09 115.58 117.56 3imi h ASN 74 Ca 0.23 -0.09 -0.04 0.00 -0.55 0.00 0.00 56.30 55.85 3imi h ASN 74 Cb 0.11 -0.17 -0.01 0.00 0.05 0.00 0.00 38.32 38.30 3imi h ASN 74 CO -0.03 0.62 0.01 0.00 -1.65 0.00 0.00 177.43 176.38 3imi h ALA 75 N 1.48 0.39 -0.65 -0.83 0.00 -0.93 0.14 119.26 118.86 3imi h ALA 75 Ca 0.17 -0.22 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 3imi h ALA 75 Cb 0.19 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.84 3imi h ALA 75 CO -0.01 0.12 0.36 0.82 0.00 0.00 0.00 179.25 180.54 3imi h ILE 76 N 0.30 1.20 -0.12 0.00 2.04 -1.22 -1.21 117.51 118.51 3imi h ILE 76 Ca 0.08 -0.51 -0.01 0.00 1.00 0.00 0.00 64.86 65.43 3imi h ILE 76 Cb 0.41 0.35 -0.01 0.00 -0.74 0.00 0.00 36.82 36.83 3imi h ILE 76 CO 0.01 0.22 0.05 0.50 0.00 0.00 0.00 178.15 178.93 3imi h LYS 77 N 0.89 0.17 -0.89 2.37 3.64 -0.99 -0.78 116.57 120.98 3imi h LYS 77 Ca 0.23 -0.03 0.02 0.00 -1.27 0.00 0.00 60.65 59.60 3imi h LYS 77 Cb 0.03 -0.03 -0.05 0.00 -0.41 0.00 0.00 32.23 31.78 3imi h LYS 77 CO -0.04 0.28 0.58 0.00 -2.27 0.00 0.00 179.45 178.01 3imi h ALA 78 N 0.88 1.16 0.09 5.00 0.00 -0.54 -0.93 119.26 124.92 3imi h ALA 78 Ca 0.04 -0.05 -0.28 0.00 0.00 0.00 0.00 54.91 54.62 3imi h ALA 78 Cb 0.17 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 3imi h ALA 78 CO -0.00 0.47 -1.35 0.93 0.00 0.00 0.00 179.25 179.30 3imi h GLU 79 N 1.16 0.20 -0.00 0.00 4.39 -1.07 -3.39 114.58 115.86 3imi h GLU 79 Ca 0.34 -0.34 0.00 0.00 0.34 0.00 0.00 59.36 59.71 3imi h GLU 79 Cb -0.05 0.12 0.00 0.00 -0.10 0.00 0.00 28.75 28.72 3imi h GLU 79 CO -0.10 1.09 -0.06 1.19 -1.16 0.00 0.00 179.01 179.97 3imi n PHE 80 N -3.44 0.00 -3.89 4.33 3.72 -0.31 -5.05 117.46 112.82 3imi n PHE 80 Ca -0.11 0.00 -0.31 0.00 -0.05 0.00 0.00 57.45 56.98 3imi n PHE 80 Cb 1.02 0.00 0.01 0.00 -0.94 0.00 0.00 39.48 39.56 3imi n PHE 80 CO 0.00 0.00 0.00 -1.71 -0.05 0.00 0.00 176.76 175.00 3imi n ASN 81 N -0.20 -2.70 -4.71 4.37 5.15 -0.36 -4.95 115.26 111.86 3imi n ASN 81 Ca 0.02 -1.07 -0.31 0.00 -0.60 0.00 0.00 54.58 52.62 3imi n ASN 81 Cb 0.09 -2.88 0.13 0.00 -0.53 0.00 0.00 39.78 36.60 3imi n ASN 81 CO 0.00 0.00 0.00 -2.16 1.40 0.00 0.00 177.26 176.50 3imi s PRO 82 N -6.52 1.49 0.00 1.20 0.04 -1.26 -4.94 135.00 125.01 3imi s PRO 82 Ca 0.26 1.19 0.25 0.00 0.04 0.00 0.00 61.00 62.74 3imi s PRO 82 Cb -0.11 -1.81 0.59 0.00 0.04 0.00 0.00 34.50 33.22 3imi s PRO 82 CO 0.90 -2.19 1.46 1.33 0.04 0.00 0.00 177.00 178.54 3imi n VAL 83 N -3.89 0.00 -3.79 -0.36 0.24 0.62 -4.97 118.33 106.18 3imi n VAL 83 Ca 0.09 -0.08 -0.03 0.00 -2.04 0.00 0.00 64.34 62.27 3imi n VAL 83 Cb 0.53 0.41 0.02 0.00 -1.47 0.00 0.00 33.84 33.33 3imi n VAL 83 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3imi n GLY 84 N 1.41 0.79 3.61 7.63 0.00 -1.11 -5.00 105.19 112.52 3imi n GLY 84 Ca 0.09 -1.13 -0.15 0.00 0.00 0.00 0.00 46.02 44.83 3imi n GLY 84 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3imi s PHE 85 N -2.82 -0.76 0.11 1.61 5.36 -1.26 -1.25 117.98 118.96 3imi s PHE 85 Ca 0.18 1.75 0.06 0.00 -0.96 0.00 0.00 56.93 57.97 3imi s PHE 85 Cb -0.03 0.30 -0.03 0.00 -0.34 0.00 0.00 43.02 42.92 3imi s PHE 85 CO 0.06 -0.43 -0.16 -0.80 -1.46 0.00 0.00 175.22 172.43 3imi s ASN 86 N 0.04 2.06 -0.05 6.13 -0.87 0.19 -4.96 114.94 117.49 3imi s ASN 86 Ca -0.02 -0.73 0.05 0.00 -1.57 0.00 0.00 52.86 50.59 3imi s ASN 86 Cb -0.04 -0.08 -0.02 0.00 -0.02 0.00 0.00 41.25 41.09 3imi s ASN 86 CO 0.03 -0.07 -0.19 -0.76 -2.57 0.00 0.00 177.10 173.54 3imi s LEU 87 N -2.13 2.47 -0.03 0.60 1.43 -1.26 -1.04 118.68 118.71 3imi s LEU 87 Ca 0.06 -0.32 -0.02 0.00 -1.03 0.00 0.00 54.13 52.81 3imi s LEU 87 Cb -0.08 -1.48 0.01 0.00 0.03 0.00 0.00 46.19 44.68 3imi s LEU 87 CO 0.03 0.31 0.08 -0.22 0.23 0.00 0.00 176.35 176.78 3imi s LEU 88 N -0.51 1.56 -0.02 1.79 2.96 -0.77 -4.99 118.68 118.69 3imi s LEU 88 Ca 0.07 0.16 0.01 0.00 -0.22 0.00 0.00 54.13 54.14 3imi s LEU 88 Cb -0.11 0.24 0.01 0.00 0.50 0.00 0.00 46.19 46.83 3imi s LEU 88 CO 0.01 -0.05 -0.02 0.21 -1.32 0.00 0.00 176.35 175.18 3imi s ASN 89 N 0.23 0.47 -0.11 3.68 3.04 -1.26 -0.46 114.94 120.52 3imi s ASN 89 Ca -0.02 -0.05 0.02 0.00 0.04 0.00 0.00 52.86 52.85 3imi s ASN 89 Cb -0.03 -0.17 -0.01 0.00 -1.54 0.00 0.00 41.25 39.50 3imi s ASN 89 CO -0.01 -0.03 -0.17 0.20 -3.04 0.00 0.00 177.10 174.05 3imi s ASN 90 N 0.54 3.68 -0.10 -4.21 0.01 -1.26 -5.09 114.94 108.51 3imi s ASN 90 Ca -0.06 -0.40 -0.01 0.00 -0.71 0.00 0.00 52.86 51.69 3imi s ASN 90 Cb -0.09 -1.47 0.02 0.00 0.41 0.00 0.00 41.25 40.13 3imi s ASN 90 CO -0.01 0.18 -0.06 0.20 -1.51 0.00 0.00 177.10 175.90 3imi s ASN 91 N 0.26 2.01 0.00 -1.22 0.01 -1.26 -4.56 114.94 110.18 3imi s ASN 91 Ca -0.12 -0.25 0.00 0.00 -0.71 0.00 0.00 52.86 51.78 3imi s ASN 91 Cb -0.16 -0.74 0.00 0.00 0.41 0.00 0.00 41.25 40.75 3imi s ASN 91 CO 0.06 -0.13 0.00 0.61 -1.51 0.00 0.00 177.10 176.13 3imi n GLY 92 N 4.93 0.03 0.27 0.66 0.00 -1.26 -4.34 105.19 105.48 3imi n GLY 92 Ca -0.12 -1.45 0.06 0.00 0.00 0.00 0.00 46.02 44.51 3imi n GLY 92 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 3imi h GLU 93 N 0.00 0.14 0.00 1.61 9.09 -1.94 -1.30 114.58 122.19 3imi h GLU 93 Ca 0.00 -0.01 0.00 0.00 0.05 0.00 0.00 59.36 59.40 3imi h GLU 93 Cb 0.00 -0.03 0.00 0.00 -1.65 0.00 0.00 28.75 27.07 3imi h GLU 93 CO 0.00 0.13 0.00 1.63 0.05 0.00 0.00 179.01 180.82 3imi n LYS 94 N -4.48 0.72 -0.13 1.06 5.02 -1.26 -2.54 118.16 116.55 3imi n LYS 94 Ca -0.01 0.00 0.05 0.00 -2.02 0.00 0.00 58.31 56.32 3imi n LYS 94 Cb 0.12 -1.50 0.12 0.00 -0.02 0.00 0.00 35.03 33.74 3imi n LYS 94 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3imi n ALA 95 N -1.13 2.17 -0.18 7.82 0.00 -0.65 -4.99 120.51 123.55 3imi n ALA 95 Ca 0.19 -1.08 0.00 0.00 0.00 0.00 0.00 53.44 52.55 3imi n ALA 95 Cb 0.17 -0.35 0.00 0.00 0.00 0.00 0.00 19.45 19.27 3imi n ALA 95 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3imi n GLY 96 N 0.34 0.77 3.70 0.00 0.00 -1.05 -4.48 105.19 104.47 3imi n GLY 96 Ca 0.09 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.69 3imi n GLY 96 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3imi s GLN 97 N -0.82 4.41 -0.02 1.61 0.74 -0.58 -4.89 119.66 120.11 3imi s GLN 97 Ca 0.00 1.66 0.03 0.00 0.05 0.00 0.00 55.36 57.10 3imi s GLN 97 Cb 0.00 -3.47 -0.04 0.00 1.10 0.00 0.00 33.01 30.61 3imi s GLN 97 CO 0.00 -0.32 0.03 0.25 -0.55 0.00 0.00 175.29 174.70 3imi n THR 98 N 4.26 0.10 -4.23 -0.34 -2.24 -1.26 -4.19 114.28 106.38 3imi n THR 98 Ca 0.09 -0.09 -0.34 0.00 -2.27 0.00 0.00 64.05 61.44 3imi n THR 98 Cb 0.47 -0.32 -0.14 0.00 -2.10 0.00 0.00 70.33 68.24 3imi n THR 98 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 3imi s VAL 99 N -2.12 3.05 -0.63 2.28 1.01 -1.26 -5.04 120.40 117.69 3imi s VAL 99 Ca -0.01 -0.62 -0.04 0.00 0.00 0.00 0.00 61.98 61.31 3imi s VAL 99 Cb 0.01 -2.34 0.12 0.00 0.00 0.00 0.00 36.38 34.17 3imi s VAL 99 CO 0.11 0.48 2.59 0.49 0.00 0.00 0.00 175.10 178.77 3imi n PHE 100 N 4.34 1.95 -3.73 5.22 3.72 -1.26 -4.71 117.46 122.99 3imi n PHE 100 Ca -0.19 -2.12 -0.19 0.00 -0.05 0.00 0.00 57.45 54.91 3imi n PHE 100 Cb 0.51 -1.40 -0.17 0.00 -0.94 0.00 0.00 39.48 37.48 3imi n PHE 100 CO 0.00 0.00 0.00 -1.58 -0.05 0.00 0.00 176.76 175.13 3imi s HIS 101 N -2.09 0.15 -0.00 1.38 2.46 -1.22 -4.28 115.29 111.69 3imi s HIS 101 Ca 0.57 0.16 -0.37 0.00 0.47 0.00 0.00 55.06 55.89 3imi s HIS 101 Cb 0.36 -0.46 -0.16 0.00 -0.13 0.00 0.00 32.58 32.20 3imi s HIS 101 CO -0.24 -0.18 1.52 0.34 -2.47 0.00 0.00 174.74 173.71 3imi n PHE 102 N 4.93 1.82 -3.73 3.88 7.35 0.16 -4.89 117.46 126.97 3imi n PHE 102 Ca -0.11 0.51 -0.13 0.00 -0.76 0.00 0.00 57.45 56.96 3imi n PHE 102 Cb 0.50 -2.42 -0.08 0.00 0.35 0.00 0.00 39.48 37.83 3imi n PHE 102 CO 0.00 0.00 0.00 -3.38 -0.76 0.00 0.00 176.76 172.62 3imi s HIS 103 N 1.56 -0.19 -0.13 -5.13 -3.43 -1.26 -4.18 115.29 102.54 3imi s HIS 103 Ca 0.88 0.21 -0.02 0.00 -0.80 0.00 0.00 55.06 55.33 3imi s HIS 103 Cb -0.92 0.13 -0.03 0.00 -1.43 0.00 0.00 32.58 30.33 3imi s HIS 103 CO 0.50 -0.46 -0.06 -1.17 -2.00 0.00 0.00 174.74 171.55 3imi s LEU 104 N -1.63 3.14 -0.13 5.38 2.96 -0.50 -4.54 118.68 123.36 3imi s LEU 104 Ca -0.10 -0.13 -0.19 0.00 -0.22 0.00 0.00 54.13 53.49 3imi s LEU 104 Cb -0.03 -1.73 -0.04 0.00 0.50 0.00 0.00 46.19 44.89 3imi s LEU 104 CO 0.01 0.22 0.52 -1.00 -1.32 0.00 0.00 176.35 174.79 3imi s HIS 105 N 0.02 3.48 -0.33 5.38 3.76 0.39 -1.44 115.29 126.56 3imi s HIS 105 Ca -0.01 0.92 -0.07 0.00 -0.15 0.00 0.00 55.06 55.75 3imi s HIS 105 Cb -0.14 -2.62 0.03 0.00 1.11 0.00 0.00 32.58 30.96 3imi s HIS 105 CO 0.03 0.08 0.11 -0.51 -0.85 0.00 0.00 174.74 173.60 3imi s LEU 106 N 0.93 4.24 -0.32 0.89 1.02 0.86 -1.85 118.68 124.44 3imi s LEU 106 Ca 0.27 -1.02 0.01 0.00 0.02 0.00 0.00 54.13 53.42 3imi s LEU 106 Cb -0.16 -1.89 0.08 0.00 0.02 0.00 0.00 46.19 44.25 3imi s LEU 106 CO 0.11 -0.30 0.02 -0.63 0.02 0.00 0.00 176.35 175.58 3imi s ILE 107 N 1.44 2.56 0.46 -0.59 1.01 -0.21 -1.17 121.20 124.70 3imi s ILE 107 Ca -0.00 -1.92 -0.23 0.00 0.00 0.00 0.00 60.65 58.50 3imi s ILE 107 Cb -0.19 -2.68 -0.08 0.00 0.01 0.00 0.00 42.46 39.53 3imi s ILE 107 CO 0.03 -0.37 1.12 -2.16 0.00 0.00 0.00 174.94 173.57 3imi s PRO 108 N 1.06 3.81 -0.06 2.79 0.04 -1.26 -0.64 135.00 140.74 3imi s PRO 108 Ca 0.02 1.66 0.03 0.00 0.04 0.00 0.00 61.00 62.75 3imi s PRO 108 Cb -0.20 -2.36 -0.02 0.00 0.04 0.00 0.00 34.50 31.95 3imi s PRO 108 CO -0.05 -0.48 -0.15 1.03 0.04 0.00 0.00 177.00 177.38 3imi s ARG 109 N -2.76 2.63 0.00 4.56 1.81 -0.38 -4.73 118.95 120.08 3imi s ARG 109 Ca 0.64 -0.72 0.00 0.00 -1.72 0.00 0.00 55.73 53.93 3imi s ARG 109 Cb -0.25 -2.39 0.00 0.00 -0.45 0.00 0.00 34.95 31.86 3imi s ARG 109 CO 0.31 0.54 0.00 0.66 -0.68 0.00 0.00 175.30 176.13 3imi n TYR 110 N 2.56 0.00 -3.90 -0.53 4.01 -1.26 -0.27 117.16 117.76 3imi n TYR 110 Ca -0.17 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.57 3imi n TYR 110 Cb 0.52 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.55 3imi n TYR 110 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3imi n GLY 111 N 2.10 -0.77 0.31 2.72 0.00 -1.26 -4.73 105.19 103.56 3imi n GLY 111 Ca 0.00 -1.11 0.16 0.00 0.00 0.00 0.00 46.02 45.08 3imi n GLY 111 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3imi h GLU 112 N 0.00 0.00 -0.18 1.61 4.39 -2.01 -1.59 114.58 116.79 3imi h GLU 112 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 3imi h GLU 112 Cb 0.00 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.65 3imi h GLU 112 CO 0.00 0.00 0.00 0.09 -1.16 0.00 0.00 179.01 177.94 3imi n ASN 113 N -3.74 1.22 -4.76 1.42 3.02 -1.26 -4.93 115.26 106.23 3imi n ASN 113 Ca -0.02 -1.81 -0.41 0.00 -0.03 0.00 0.00 54.58 52.30 3imi n ASN 113 Cb 0.14 -0.12 -0.00 0.00 -0.61 0.00 0.00 39.78 39.19 3imi n ASN 113 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 3imi n ASP 114 N 0.09 3.68 -0.32 6.41 8.00 -0.60 -4.89 116.55 128.93 3imi n ASP 114 Ca 0.12 1.21 0.02 0.00 0.71 0.00 0.00 54.79 56.85 3imi n ASP 114 Cb 0.22 -1.60 0.07 0.00 -0.02 0.00 0.00 41.12 39.79 3imi n ASP 114 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3imi n GLY 115 N 0.83 -0.14 3.00 0.44 0.00 -0.27 -4.78 105.19 104.27 3imi n GLY 115 Ca 0.03 -0.17 -0.18 0.00 0.00 0.00 0.00 46.02 45.70 3imi n GLY 115 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3imi s PHE 116 N -1.77 0.72 -0.13 1.61 5.36 -1.26 -4.92 117.98 117.60 3imi s PHE 116 Ca 0.10 -0.14 -0.19 0.00 -0.96 0.00 0.00 56.93 55.74 3imi s PHE 116 Cb 0.06 -0.48 0.05 0.00 -0.34 0.00 0.00 43.02 42.30 3imi s PHE 116 CO 0.07 -0.03 0.48 0.20 -1.46 0.00 0.00 175.22 174.48 3imi s GLY 117 N -0.09 -0.35 -0.13 13.12 0.00 -1.26 -5.13 107.32 113.48 3imi s GLY 117 Ca 0.02 1.15 -0.11 0.00 0.00 0.00 0.00 44.72 45.77 3imi s GLY 117 CO -0.00 0.93 0.24 0.00 0.00 0.00 0.00 173.10 174.26 3imi s ALA 118 N -0.30 3.71 -0.22 3.20 0.00 -1.26 -5.07 121.76 121.82 3imi s ALA 118 Ca -0.05 -0.52 -0.17 0.00 0.00 0.00 0.00 51.96 51.23 3imi s ALA 118 Cb -0.03 -2.23 -0.03 0.00 0.00 0.00 0.00 23.12 20.83 3imi s ALA 118 CO 0.03 0.32 0.45 0.08 0.00 0.00 0.00 175.76 176.64 3imi s VAL 119 N -0.24 5.15 -0.10 0.00 1.01 -1.26 -5.06 120.40 119.91 3imi s VAL 119 Ca 0.16 0.79 -0.01 0.00 0.00 0.00 0.00 61.98 62.92 3imi s VAL 119 Cb -0.13 -3.77 0.03 0.00 0.00 0.00 0.00 36.38 32.50 3imi s VAL 119 CO 0.04 0.19 -0.05 0.86 0.00 0.00 0.00 175.10 176.14 3imi s TRP 120 N 1.67 1.19 -0.22 5.22 -0.11 -1.26 -5.10 118.94 120.32 3imi s TRP 120 Ca 0.20 -0.53 -0.00 0.00 1.22 0.00 0.00 56.10 56.99 3imi s TRP 120 Cb -0.15 -1.08 0.06 0.00 -1.50 0.00 0.00 33.47 30.80 3imi s TRP 120 CO 0.09 -0.45 -0.02 0.21 -4.62 0.00 0.00 176.95 172.16 3imi s LYS 121 N 1.80 1.29 0.50 5.86 2.47 -1.26 -5.12 119.74 125.28 3imi s LYS 121 Ca 0.05 -0.81 -0.21 0.00 -1.56 0.00 0.00 55.97 53.44 3imi s LYS 121 Cb -0.12 -2.43 -0.07 0.00 -1.46 0.00 0.00 37.83 33.74 3imi s LYS 121 CO -0.07 -0.62 1.09 0.45 0.16 0.00 0.00 175.35 176.36 3imi s SER 122 N 1.55 6.12 -0.05 1.43 0.15 -1.26 -4.97 113.70 116.67 3imi s SER 122 Ca -0.04 2.08 0.16 0.00 0.70 0.00 0.00 55.95 58.85 3imi s SER 122 Cb -0.18 -2.58 0.31 0.00 -1.71 0.00 0.00 66.02 61.86 3imi s SER 122 CO -0.07 -0.94 1.14 1.41 1.20 0.00 0.00 173.24 175.98 3imi n HIS 123 N -0.95 0.00 -0.13 3.44 8.25 -1.26 -4.91 115.22 119.66 3imi n HIS 123 Ca 0.10 -0.62 0.19 0.00 -0.26 0.00 0.00 57.72 57.12 3imi n HIS 123 Cb 0.51 -0.14 0.58 0.00 1.12 0.00 0.00 29.99 32.06 3imi n HIS 123 CO 0.00 0.00 0.00 -0.56 0.64 0.00 0.00 176.34 176.42 3imi h GLN 124 N 0.66 0.25 0.00 -0.41 3.07 -1.96 -1.14 115.11 115.57 3imi h GLN 124 Ca -0.11 -0.01 -0.04 0.00 0.09 0.00 0.00 58.65 58.58 3imi h GLN 124 Cb 1.52 -0.06 -0.01 0.00 0.08 0.00 0.00 27.48 29.02 3imi h GLN 124 CO 0.05 0.16 -0.20 -0.91 0.09 0.00 0.00 178.83 178.02 3imi h ASN 125 N 0.25 0.00 -0.01 0.06 2.35 -2.04 -3.04 115.58 113.15 3imi h ASN 125 Ca 0.36 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.11 3imi h ASN 125 Cb 1.03 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.40 3imi h ASN 125 CO -0.08 0.20 0.00 -0.62 -1.65 0.00 0.00 177.43 175.28 3imi n GLU 126 N -3.64 1.07 -4.67 0.81 1.02 -0.43 -4.83 120.64 109.97 3imi n GLU 126 Ca -0.01 -0.10 -0.26 0.00 -0.02 0.00 0.00 57.16 56.77 3imi n GLU 126 Cb 0.33 -1.43 -0.14 0.00 -0.02 0.00 0.00 31.44 30.18 3imi n GLU 126 CO 0.00 0.00 0.00 0.71 1.18 0.00 0.00 177.13 179.02 3imi s TYR 127 N -1.99 1.80 0.00 -0.32 2.02 -1.15 -5.12 117.35 112.58 3imi s TYR 127 Ca 0.40 -0.37 0.00 0.00 -0.37 0.00 0.00 57.07 56.73 3imi s TYR 127 Cb 0.19 -1.08 0.00 0.00 -0.40 0.00 0.00 41.96 40.67 3imi s TYR 127 CO 0.31 0.08 0.00 2.41 -1.57 0.00 0.00 175.55 176.78 3imi n THR 128 N 1.93 0.00 0.00 -0.71 -1.04 -1.26 -4.97 114.28 108.23 3imi n THR 128 Ca -0.17 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.84 3imi n THR 128 Cb 0.53 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.04 3imi n THR 128 CO 0.00 0.00 0.00 1.21 -0.64 0.00 0.00 175.07 175.64 3imi n GLU 130 N 0.00 0.00 -0.09 -2.82 0.00 -1.26 -1.19 120.64 115.28 3imi n GLU 130 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 57.16 57.07 3imi n GLU 130 Cb 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 31.44 31.43 3imi n GLU 130 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.13 176.22 3imi h ASN 131 N 0.00 0.37 -0.82 4.31 2.35 -1.99 -1.29 115.58 118.51 3imi h ASN 131 Ca 0.00 -0.01 -0.03 0.00 -0.55 0.00 0.00 56.30 55.71 3imi h ASN 131 Cb 0.00 -0.09 -0.04 0.00 0.05 0.00 0.00 38.32 38.24 3imi h ASN 131 CO 0.00 0.27 0.40 -0.07 -1.65 0.00 0.00 177.43 176.38 3imi h LEU 132 N 0.43 1.07 -0.50 1.61 3.38 -1.53 -1.07 115.31 118.71 3imi h LEU 132 Ca 0.12 -0.13 -0.14 0.00 0.09 0.00 0.00 57.88 57.82 3imi h LEU 132 Cb -0.05 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.42 3imi h LEU 132 CO -0.03 0.90 -0.28 1.56 0.09 0.00 0.00 178.44 180.68 3imi h GLN 133 N 1.17 0.92 -0.39 1.13 1.08 -1.76 0.09 115.11 117.34 3imi h GLN 133 Ca 0.28 -0.42 -0.01 0.00 -1.45 0.00 0.00 58.65 57.05 3imi h GLN 133 Cb 0.11 -0.02 -0.02 0.00 -0.05 0.00 0.00 27.48 27.50 3imi h GLN 133 CO -0.04 1.08 0.19 -0.91 -0.95 0.00 0.00 178.83 178.20 3imi h ASN 134 N 0.78 0.51 -0.08 1.46 2.35 -0.96 0.84 115.58 120.48 3imi h ASN 134 Ca 0.09 -0.12 -0.00 0.00 -0.55 0.00 0.00 56.30 55.71 3imi h ASN 134 Cb 0.86 -0.13 -0.00 0.00 0.05 0.00 0.00 38.32 39.09 3imi h ASN 134 CO 0.08 0.49 0.04 0.40 -1.65 0.00 0.00 177.43 176.78 3imi h ILE 135 N 0.50 1.13 -0.74 2.81 2.04 -1.10 -1.14 117.51 121.00 3imi h ILE 135 Ca 0.14 -0.37 -0.02 0.00 1.00 0.00 0.00 64.86 65.60 3imi h ILE 135 Cb 0.11 1.22 -0.03 0.00 -0.74 0.00 0.00 36.82 37.38 3imi h ILE 135 CO -0.02 0.11 0.37 0.00 0.00 0.00 0.00 178.15 178.61 3imi h ALA 136 N 0.90 1.25 -0.59 1.87 0.00 -0.88 -2.24 119.26 119.57 3imi h ALA 136 Ca 0.03 -0.14 -0.10 0.00 0.00 0.00 0.00 54.91 54.70 3imi h ALA 136 Cb 0.14 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.61 3imi h ALA 136 CO -0.00 0.58 -0.04 1.03 0.00 0.00 0.00 179.25 180.82 3imi h SER 137 N 1.05 1.06 0.52 0.00 0.87 -0.64 -0.71 113.55 115.69 3imi h SER 137 Ca 0.26 -0.32 -0.17 0.00 -1.23 0.00 0.00 61.79 60.33 3imi h SER 137 Cb 0.09 -0.29 -0.01 0.00 -0.44 0.00 0.00 62.40 61.75 3imi h SER 137 CO -0.04 1.13 -0.74 0.71 -0.53 0.00 0.00 176.83 177.36 3imi h THR 138 N 0.97 1.46 -0.14 2.23 1.35 -0.95 -2.18 112.91 115.64 3imi h THR 138 Ca 0.16 -2.34 -0.03 0.00 -0.55 0.00 0.00 66.41 63.66 3imi h THR 138 Cb 0.61 2.26 -0.00 0.00 -1.73 0.00 0.00 68.15 69.28 3imi h THR 138 CO 0.04 0.68 -0.02 0.40 -0.25 0.00 0.00 175.52 176.37 3imi h ILE 139 N 0.12 1.27 -0.68 6.82 2.04 -1.33 -3.04 117.51 122.72 3imi h ILE 139 Ca -0.02 -0.92 0.05 0.00 1.00 0.00 0.00 64.86 64.97 3imi h ILE 139 Cb 1.31 1.61 -0.05 0.00 -0.74 0.00 0.00 36.82 38.94 3imi h ILE 139 CO 0.11 0.27 0.39 0.00 0.00 0.00 0.00 178.15 178.92 3imi h ALA 140 N 0.73 0.90 0.00 1.87 0.00 -0.98 -0.45 119.26 121.33 3imi h ALA 140 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.95 3imi h ALA 140 Cb 0.42 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.06 3imi h ALA 140 CO 0.01 0.10 0.00 0.09 0.00 0.00 0.00 179.25 179.45 3imi n ASN 141 N -4.75 0.28 0.05 0.00 4.13 -0.83 -2.50 115.26 111.63 3imi n ASN 141 Ca 0.08 0.57 0.11 0.00 1.68 0.00 0.00 54.58 57.03 3imi n ASN 141 Cb 0.15 -0.63 -0.04 0.00 -1.54 0.00 0.00 39.78 37.72 3imi n ASN 141 CO 0.00 0.00 0.00 -1.20 0.28 0.00 0.00 177.26 176.34 3imi n SER 142 N -1.81 0.55 -4.61 6.41 7.64 -0.21 -4.88 113.62 116.72 3imi n SER 142 Ca 0.03 0.06 -0.43 0.00 1.01 0.00 0.00 58.87 59.54 3imi n SER 142 Cb 0.19 0.97 -0.03 0.00 -1.01 0.00 0.00 64.21 64.33 3imi n SER 142 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 3imi s VAL 143 N -3.35 3.15 -2.44 0.44 1.01 -1.02 -5.11 120.40 113.08 3imi s VAL 143 Ca -0.01 0.16 0.28 0.00 0.00 0.00 0.00 61.98 62.42 3imi s VAL 143 Cb 0.12 -3.20 0.59 0.00 0.00 0.00 0.00 36.38 33.90 3imi s VAL 143 CO 0.83 -0.12 1.81 1.17 0.00 0.00 0.00 175.10 178.78