#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1v9o s LYS 2 N 0.00 0.55 -0.24 0.03 3.01 -0.19 -3.15 119.74 119.74 1v9o s LYS 2 Ca 0.00 -0.94 0.00 0.00 -1.01 0.00 0.00 55.97 54.02 1v9o s LYS 2 Cb 0.00 0.20 0.04 0.00 -1.01 0.00 0.00 37.83 37.06 1v9o s LYS 2 CO 0.00 -0.11 -0.10 -1.17 0.51 0.00 0.00 175.35 174.48 1v9o s LEU 3 N -2.37 3.13 -0.23 3.17 2.96 0.55 -1.38 118.68 124.51 1v9o s LEU 3 Ca -0.02 -1.01 -0.15 0.00 -0.22 0.00 0.00 54.13 52.73 1v9o s LEU 3 Cb 0.01 -1.60 -0.04 0.00 0.50 0.00 0.00 46.19 45.06 1v9o s LEU 3 CO -0.07 -0.13 0.37 -0.63 -1.32 0.00 0.00 176.35 174.57 1v9o s ILE 4 N 1.25 5.20 -0.25 6.68 1.01 0.87 -0.63 121.20 135.34 1v9o s ILE 4 Ca -0.02 0.62 -0.02 0.00 0.00 0.00 0.00 60.65 61.23 1v9o s ILE 4 Cb -0.17 -3.70 0.02 0.00 0.01 0.00 0.00 42.46 38.62 1v9o s ILE 4 CO -0.06 0.23 -0.05 -0.69 0.00 0.00 0.00 174.94 174.37 1v9o s VAL 5 N 1.52 3.03 -0.08 2.92 1.01 0.40 0.10 120.40 129.30 1v9o s VAL 5 Ca 0.17 -0.90 0.05 0.00 0.00 0.00 0.00 61.98 61.29 1v9o s VAL 5 Cb -0.15 -2.51 -0.00 0.00 0.00 0.00 0.00 36.38 33.72 1v9o s VAL 5 CO 0.08 0.24 -0.22 0.00 0.00 0.00 0.00 175.10 175.19 1v9o s ALA 6 N 1.37 2.00 -0.27 5.51 0.00 -0.29 0.34 121.76 130.41 1v9o s ALA 6 Ca 0.02 -0.91 -0.07 0.00 0.00 0.00 0.00 51.96 51.00 1v9o s ALA 6 Cb -0.16 -0.71 -0.00 0.00 0.00 0.00 0.00 23.12 22.25 1v9o s ALA 6 CO -0.04 0.31 0.06 0.42 0.00 0.00 0.00 175.76 176.51 1v9o s ILE 7 N 0.18 3.98 0.24 0.00 -1.09 -0.25 0.05 121.20 124.31 1v9o s ILE 7 Ca -0.12 -0.52 0.04 0.00 -2.23 0.00 0.00 60.65 57.82 1v9o s ILE 7 Cb -0.16 -2.97 -0.05 0.00 -1.58 0.00 0.00 42.46 37.70 1v9o s ILE 7 CO 0.06 0.20 -0.00 0.68 -1.23 0.00 0.00 174.94 174.65 1v9o s VAL 8 N 1.53 1.05 0.29 2.92 -7.23 -0.15 -2.66 120.40 116.14 1v9o s VAL 8 Ca 0.04 -2.04 -0.29 0.00 -1.81 0.00 0.00 61.98 57.88 1v9o s VAL 8 Cb -0.16 -2.37 -0.10 0.00 0.56 0.00 0.00 36.38 34.32 1v9o s VAL 8 CO 0.02 -0.31 1.21 -0.13 -0.31 0.00 0.00 175.10 175.58 1v9o s ARG 9 N -3.86 4.49 0.32 4.82 0.52 -1.26 -0.49 118.95 123.49 1v9o s ARG 9 Ca 0.29 2.01 0.04 0.00 -0.52 0.00 0.00 55.73 57.55 1v9o s ARG 9 Cb 0.06 -3.14 0.66 0.00 0.52 0.00 0.00 34.95 33.05 1v9o s ARG 9 CO 0.09 -0.02 1.88 -1.35 0.02 0.00 0.00 175.30 175.92 1v9o h PRO 10 N 3.85 0.84 0.00 3.54 0.11 -1.90 -0.60 132.00 137.85 1v9o h PRO 10 Ca -0.47 -0.05 -0.01 0.00 0.11 0.00 0.00 66.00 65.58 1v9o h PRO 10 Cb 1.22 -0.19 -0.00 0.00 0.11 0.00 0.00 31.00 32.14 1v9o h PRO 10 CO 0.68 0.56 -0.03 1.05 -0.21 0.00 0.00 178.00 180.04 1v9o h GLU 11 N 0.87 0.00 -0.01 1.05 4.11 -1.96 -2.23 114.58 116.41 1v9o h GLU 11 Ca 0.43 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.86 1v9o h GLU 11 Cb 0.48 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.73 1v9o h GLU 11 CO -0.20 0.03 -0.45 1.63 0.07 0.00 0.00 179.01 180.09 1v9o n LYS 12 N -3.31 0.82 0.06 1.06 4.76 -0.24 -4.59 118.16 116.72 1v9o n LYS 12 Ca -0.02 -0.60 -0.13 0.00 -2.87 0.00 0.00 58.31 54.69 1v9o n LYS 12 Cb 0.16 -1.49 -0.07 0.00 -1.84 0.00 0.00 35.03 31.80 1v9o n LYS 12 CO 0.00 0.00 0.00 1.25 -1.37 0.00 0.00 177.40 177.28 1v9o h LEU 13 N 1.46 -1.24 -0.87 -0.35 5.85 -1.30 -1.30 115.31 117.56 1v9o h LEU 13 Ca 0.00 0.15 0.09 0.00 0.84 0.00 0.00 57.88 58.96 1v9o h LEU 13 Cb 0.61 0.49 -0.07 0.00 0.37 0.00 0.00 40.66 42.05 1v9o h LEU 13 CO 0.00 -0.45 0.52 0.78 -0.34 0.00 0.00 178.44 178.95 1v9o h ASN 14 N -0.56 0.77 -0.58 1.25 2.35 -1.81 0.52 115.58 117.51 1v9o h ASN 14 Ca 0.05 0.04 -0.06 0.00 -0.55 0.00 0.00 56.30 55.77 1v9o h ASN 14 Cb 0.64 -0.11 -0.03 0.00 0.05 0.00 0.00 38.32 38.87 1v9o h ASN 14 CO -0.31 0.45 0.13 -0.33 -1.65 0.00 0.00 177.43 175.72 1v9o h GLU 15 N 0.88 0.98 -0.15 0.81 5.08 -1.78 -1.37 114.58 119.03 1v9o h GLU 15 Ca 0.41 -0.23 -0.03 0.00 -1.00 0.00 0.00 59.36 58.51 1v9o h GLU 15 Cb 0.33 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.44 1v9o h GLU 15 CO -0.23 0.89 -0.01 0.28 -1.00 0.00 0.00 179.01 178.94 1v9o h VAL 16 N 0.93 1.27 -0.72 3.13 2.07 -0.06 -1.72 116.25 121.15 1v9o h VAL 16 Ca 0.20 -0.89 0.02 0.00 0.82 0.00 0.00 66.70 66.85 1v9o h VAL 16 Cb 0.36 1.56 -0.04 0.00 -1.52 0.00 0.00 31.29 31.65 1v9o h VAL 16 CO 0.00 0.26 0.47 -0.07 0.02 0.00 0.00 177.57 178.26 1v9o h LEU 17 N -0.00 0.78 0.20 2.57 3.38 -0.79 -0.54 115.31 120.91 1v9o h LEU 17 Ca 0.04 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 57.99 1v9o h LEU 17 Cb 0.40 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 40.97 1v9o h LEU 17 CO 0.01 0.55 -0.10 0.11 0.09 0.00 0.00 178.44 179.11 1v9o h LYS 18 N 0.91 -0.26 -0.71 1.13 1.57 -1.04 -1.63 116.57 116.56 1v9o h LYS 18 Ca 0.27 0.02 -0.01 0.00 -1.87 0.00 0.00 60.65 59.06 1v9o h LYS 18 Cb -0.02 0.06 -0.03 0.00 0.08 0.00 0.00 32.23 32.31 1v9o h LYS 18 CO -0.07 -0.11 0.39 0.00 -0.57 0.00 0.00 179.45 179.09 1v9o h ALA 19 N 0.44 1.36 -0.18 3.86 0.00 -0.81 -1.59 119.26 122.34 1v9o h ALA 19 Ca -0.03 -0.11 -0.03 0.00 0.00 0.00 0.00 54.91 54.75 1v9o h ALA 19 Cb 0.27 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 1v9o h ALA 19 CO 0.04 0.53 -0.00 -0.07 0.00 0.00 0.00 179.25 179.75 1v9o h LEU 20 N 0.98 0.31 -1.23 0.00 3.38 -0.96 -1.44 115.31 116.35 1v9o h LEU 20 Ca 0.25 -0.32 -0.03 0.00 0.09 0.00 0.00 57.88 57.88 1v9o h LEU 20 Cb 0.02 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 40.66 1v9o h LEU 20 CO -0.04 0.55 0.20 -0.26 0.09 0.00 0.00 178.44 178.98 1v9o h PHE 21 N 0.06 0.73 -0.55 1.13 0.04 -1.08 0.19 116.94 117.47 1v9o h PHE 21 Ca 0.05 -0.03 -0.05 0.00 2.80 0.00 0.00 57.97 60.74 1v9o h PHE 21 Cb 0.39 -0.23 -0.03 0.00 2.20 0.00 0.00 35.95 38.29 1v9o h PHE 21 CO 0.04 0.57 0.15 0.37 -0.60 0.00 0.00 178.31 178.84 1v9o h GLN 22 N 0.73 0.83 -0.39 1.51 5.75 -1.10 -1.38 115.11 121.06 1v9o h GLN 22 Ca 0.18 -0.16 0.00 0.00 -0.15 0.00 0.00 58.65 58.52 1v9o h GLN 22 Cb 0.15 -0.13 0.00 0.00 1.07 0.00 0.00 27.48 28.57 1v9o h GLN 22 CO -0.02 0.73 0.00 0.00 -2.65 0.00 0.00 178.83 176.90 1v9o n ALA 23 N -2.46 2.51 -1.18 3.38 0.00 -0.51 -4.83 120.51 117.42 1v9o n ALA 23 Ca 0.04 -0.03 -0.06 0.00 0.00 0.00 0.00 53.44 53.39 1v9o n ALA 23 Cb 0.21 -1.00 -0.03 0.00 0.00 0.00 0.00 19.45 18.64 1v9o n ALA 23 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1v9o n GLU 24 N -0.28 -0.58 -3.47 0.00 1.02 -0.52 -4.95 120.64 111.87 1v9o n GLU 24 Ca 0.00 0.65 -0.37 0.00 -0.02 0.00 0.00 57.16 57.43 1v9o n GLU 24 Cb 0.11 -4.42 -0.06 0.00 -0.02 0.00 0.00 31.44 27.05 1v9o n GLU 24 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 1v9o s VAL 25 N -2.15 4.98 0.00 2.62 1.01 -0.06 -4.96 120.40 121.83 1v9o s VAL 25 Ca 0.00 0.78 0.00 0.00 0.00 0.00 0.00 61.98 62.76 1v9o s VAL 25 Cb 0.00 -3.72 0.00 0.00 0.00 0.00 0.00 36.38 32.66 1v9o s VAL 25 CO 0.00 0.44 0.00 0.54 0.00 0.00 0.00 175.10 176.08 1v9o n ARG 26 N 1.39 0.00 -2.61 2.72 1.74 -1.26 -3.47 116.66 115.16 1v9o n ARG 26 Ca -0.10 0.00 -0.42 0.00 -0.77 0.00 0.00 57.85 56.55 1v9o n ARG 26 Cb 0.52 -0.09 -0.03 0.00 -1.02 0.00 0.00 32.46 31.84 1v9o n ARG 26 CO 0.00 0.00 0.00 0.20 -1.52 0.00 0.00 177.63 176.31 1v9o s GLY 27 N -4.43 2.54 -0.00 -0.13 0.00 -1.26 -5.00 107.32 99.03 1v9o s GLY 27 Ca 0.00 0.56 -0.29 0.00 0.00 0.00 0.00 44.72 44.99 1v9o s GLY 27 CO 0.00 1.90 1.00 0.48 0.00 0.00 0.00 173.10 176.48 1v9o s LEU 28 N 1.48 -0.25 0.02 0.66 0.05 -1.26 -4.54 118.68 114.84 1v9o s LEU 28 Ca 0.53 -0.11 0.05 0.00 0.05 0.00 0.00 54.13 54.65 1v9o s LEU 28 Cb -0.22 1.88 -0.02 0.00 -2.05 0.00 0.00 46.19 45.78 1v9o s LEU 28 CO 0.25 -0.59 -0.15 -0.89 -0.55 0.00 0.00 176.35 174.41 1v9o s THR 29 N -2.97 1.23 0.04 5.48 2.01 -0.35 -4.99 115.64 116.09 1v9o s THR 29 Ca 0.08 -0.89 -0.07 0.00 0.31 0.00 0.00 61.69 61.13 1v9o s THR 29 Cb -0.01 -1.07 -0.01 0.00 0.01 0.00 0.00 72.50 71.43 1v9o s THR 29 CO -0.05 0.16 0.12 -1.48 -0.69 0.00 0.00 174.62 172.69 1v9o s LEU 30 N -0.84 1.69 0.14 4.42 0.05 -1.26 0.38 118.68 123.25 1v9o s LEU 30 Ca 0.04 -0.52 -0.19 0.00 0.05 0.00 0.00 54.13 53.51 1v9o s LEU 30 Cb -0.07 0.71 0.05 0.00 -2.05 0.00 0.00 46.19 44.83 1v9o s LEU 30 CO 0.01 -0.54 0.48 -0.94 -0.55 0.00 0.00 176.35 174.80 1v9o s SER 31 N -2.21 -0.37 -0.05 1.48 1.04 -0.53 -4.98 113.70 108.09 1v9o s SER 31 Ca -0.04 -0.19 -0.20 0.00 0.48 0.00 0.00 55.95 56.00 1v9o s SER 31 Cb -0.00 0.53 -0.05 0.00 0.10 0.00 0.00 66.02 66.60 1v9o s SER 31 CO -0.05 -0.90 0.59 -0.13 0.98 0.00 0.00 173.24 173.72 1v9o s ARG 32 N -3.78 4.34 0.26 4.02 1.81 -1.26 -0.14 118.95 124.20 1v9o s ARG 32 Ca 0.02 0.69 0.01 0.00 -1.72 0.00 0.00 55.73 54.74 1v9o s ARG 32 Cb 0.01 -3.39 -0.04 0.00 -0.45 0.00 0.00 34.95 31.08 1v9o s ARG 32 CO -0.12 0.25 0.13 0.14 -0.68 0.00 0.00 175.30 175.02 1v9o s VAL 33 N 0.22 0.32 -0.09 3.52 -7.23 0.03 -4.94 120.40 112.22 1v9o s VAL 33 Ca 0.31 -2.00 0.01 0.00 -1.81 0.00 0.00 61.98 58.49 1v9o s VAL 33 Cb -0.17 -2.56 -0.02 0.00 0.56 0.00 0.00 36.38 34.19 1v9o s VAL 33 CO 0.16 0.00 -0.13 -1.10 -0.31 0.00 0.00 175.10 173.72 1v9o s GLN 34 N -3.99 3.00 0.36 4.82 -1.52 -1.26 -0.56 119.66 120.51 1v9o s GLN 34 Ca 0.38 -0.67 -0.01 0.00 -1.95 0.00 0.00 55.36 53.10 1v9o s GLN 34 Cb 0.07 -2.54 0.00 0.00 -0.22 0.00 0.00 33.01 30.32 1v9o s GLN 34 CO 0.15 0.41 0.48 0.20 -0.25 0.00 0.00 175.29 176.28 1v9o s GLY 35 N -0.17 1.61 -0.18 3.09 0.00 0.60 -4.88 107.32 107.38 1v9o s GLY 35 Ca 0.00 -1.59 -0.18 0.00 0.00 0.00 0.00 44.72 42.96 1v9o s GLY 35 CO 0.03 -1.03 0.50 -1.58 0.00 0.00 0.00 173.10 171.02 1v9o s HIS 36 N -2.93 -0.54 0.00 1.90 2.46 -1.26 -0.29 115.29 114.62 1v9o s HIS 36 Ca 0.31 1.31 0.00 0.00 0.47 0.00 0.00 55.06 57.15 1v9o s HIS 36 Cb -0.01 0.19 0.00 0.00 -0.13 0.00 0.00 32.58 32.64 1v9o s HIS 36 CO 0.22 -0.28 0.00 0.41 -2.47 0.00 0.00 174.74 172.62 1v9o n GLY 37 N 2.70 -0.34 0.20 1.59 0.00 -1.26 -4.97 105.19 103.11 1v9o n GLY 37 Ca -0.14 -1.73 0.06 0.00 0.00 0.00 0.00 46.02 44.21 1v9o n GLY 37 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1v9o n GLY 38 N 5.00 -0.52 3.79 -0.02 0.00 -1.26 -4.89 105.19 107.29 1v9o n GLY 38 Ca 0.00 -0.17 -0.25 0.00 0.00 0.00 0.00 46.02 45.60 1v9o n GLY 38 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1v9o s GLU 39 N -1.89 2.27 -0.17 1.61 2.02 -1.26 -5.25 118.70 116.02 1v9o s GLU 39 Ca 0.20 -1.88 -0.17 0.00 0.02 0.00 0.00 54.97 53.14 1v9o s GLU 39 Cb 0.10 -2.03 0.05 0.00 0.10 0.00 0.00 34.13 32.35 1v9o s GLU 39 CO 0.15 -0.25 0.48 0.95 0.02 0.00 0.00 175.26 176.62 1v9o s THR 40 N -2.64 0.00 0.00 3.63 -4.23 -1.26 -5.13 115.64 106.02 1v9o s THR 40 Ca 0.38 -0.02 0.00 0.00 -1.18 0.00 0.00 61.69 60.87 1v9o s THR 40 Cb 0.02 -0.68 0.00 0.00 1.34 0.00 0.00 72.50 73.17 1v9o s THR 40 CO 0.22 -0.01 0.00 -1.84 -0.54 0.00 0.00 174.62 172.45 1v9o n GLU 54 N 2.72 4.64 -4.01 3.99 0.28 -1.26 -5.26 120.64 121.73 1v9o n GLU 54 Ca -0.14 0.00 -0.28 0.00 -0.16 0.00 0.00 57.16 56.58 1v9o n GLU 54 Cb 0.57 -0.44 -0.05 0.00 1.43 0.00 0.00 31.44 32.95 1v9o n GLU 54 CO 0.00 0.00 0.00 -0.51 -0.16 0.00 0.00 177.13 176.46 1v9o s LEU 55 N -0.12 4.02 0.09 -1.84 1.02 -1.26 -4.77 118.68 115.81 1v9o s LEU 55 Ca 0.00 0.04 0.05 0.00 0.02 0.00 0.00 54.13 54.24 1v9o s LEU 55 Cb 0.00 -2.64 -0.03 0.00 0.02 0.00 0.00 46.19 43.54 1v9o s LEU 55 CO 0.00 0.11 -0.13 -1.00 0.02 0.00 0.00 176.35 175.36 1v9o s HIS 56 N -1.60 1.18 0.32 0.29 3.76 0.60 -4.87 115.29 114.97 1v9o s HIS 56 Ca 0.32 -0.54 -0.28 0.00 -0.15 0.00 0.00 55.06 54.41 1v9o s HIS 56 Cb -0.11 -0.65 -0.10 0.00 1.11 0.00 0.00 32.58 32.83 1v9o s HIS 56 CO 0.25 0.05 1.18 -2.00 -0.85 0.00 0.00 174.74 173.38 1v9o s GLU 57 N -2.24 4.44 0.10 1.40 2.12 -1.26 -0.29 118.70 122.97 1v9o s GLU 57 Ca 0.02 1.95 -0.02 0.00 0.36 0.00 0.00 54.97 57.28 1v9o s GLU 57 Cb -0.07 -3.05 -0.04 0.00 0.26 0.00 0.00 34.13 31.24 1v9o s GLU 57 CO 0.02 -0.02 0.05 0.15 -0.54 0.00 0.00 175.26 174.92 1v9o s LYS 58 N -1.73 0.82 -0.15 4.30 -0.14 0.28 -4.50 119.74 118.62 1v9o s LYS 58 Ca 0.48 -1.31 -0.02 0.00 -1.36 0.00 0.00 55.97 53.76 1v9o s LYS 58 Cb -0.34 0.25 -0.02 0.00 -1.68 0.00 0.00 37.83 36.03 1v9o s LYS 58 CO 0.45 -0.22 -0.07 0.08 -0.76 0.00 0.00 175.35 174.83 1v9o s VAL 59 N -3.98 3.57 -0.27 3.17 1.01 0.36 -0.79 120.40 123.47 1v9o s VAL 59 Ca 0.16 -0.47 -0.08 0.00 0.00 0.00 0.00 61.98 61.58 1v9o s VAL 59 Cb 0.07 -2.54 -0.03 0.00 0.00 0.00 0.00 36.38 33.88 1v9o s VAL 59 CO -0.04 0.51 0.10 -0.60 0.00 0.00 0.00 175.10 175.07 1v9o s ARG 60 N 0.35 3.61 -0.09 2.72 3.52 0.80 -0.98 118.95 128.89 1v9o s ARG 60 Ca -0.07 -0.52 -0.05 0.00 -0.13 0.00 0.00 55.73 54.96 1v9o s ARG 60 Cb -0.15 -3.42 -0.04 0.00 -1.56 0.00 0.00 34.95 29.78 1v9o s ARG 60 CO 0.04 -0.24 0.14 -0.51 -0.81 0.00 0.00 175.30 173.92 1v9o s LEU 61 N 1.63 4.33 -0.21 -0.88 1.43 0.11 -1.45 118.68 123.64 1v9o s LEU 61 Ca 0.06 0.41 -0.02 0.00 -1.03 0.00 0.00 54.13 53.56 1v9o s LEU 61 Cb -0.16 -2.21 0.06 0.00 0.03 0.00 0.00 46.19 43.91 1v9o s LEU 61 CO 0.05 0.36 0.01 -0.70 0.23 0.00 0.00 176.35 176.31 1v9o s GLU 62 N -1.29 0.96 -0.20 1.70 2.12 0.16 -1.14 118.70 121.01 1v9o s GLU 62 Ca 0.18 -0.64 0.01 0.00 0.36 0.00 0.00 54.97 54.88 1v9o s GLU 62 Cb -0.12 -2.26 0.04 0.00 0.26 0.00 0.00 34.13 32.05 1v9o s GLU 62 CO 0.08 -0.65 -0.09 0.42 -0.54 0.00 0.00 175.26 174.48 1v9o s ILE 63 N 1.70 1.59 -0.12 -3.70 1.01 0.11 -1.21 121.20 120.57 1v9o s ILE 63 Ca -0.02 -1.01 -0.25 0.00 0.00 0.00 0.00 60.65 59.37 1v9o s ILE 63 Cb -0.18 -1.70 -0.02 0.00 0.01 0.00 0.00 42.46 40.57 1v9o s ILE 63 CO -0.08 0.13 0.80 -0.83 0.00 0.00 0.00 174.94 174.96 1v9o s GLY 64 N 1.41 2.34 0.05 6.18 0.00 -1.26 -0.09 107.32 115.95 1v9o s GLY 64 Ca -0.02 0.11 -0.01 0.00 0.00 0.00 0.00 44.72 44.81 1v9o s GLY 64 CO -0.08 1.52 -0.03 -1.34 0.00 0.00 0.00 173.10 173.17 1v9o s VAL 65 N 1.63 0.26 0.59 1.40 -7.23 -0.48 -4.97 120.40 111.60 1v9o s VAL 65 Ca 0.39 -1.68 -0.09 0.00 -1.81 0.00 0.00 61.98 58.80 1v9o s VAL 65 Cb -0.17 -1.34 -0.02 0.00 0.56 0.00 0.00 36.38 35.41 1v9o s VAL 65 CO 0.16 -0.90 0.95 -0.94 -0.31 0.00 0.00 175.10 174.06 1v9o s SER 66 N -2.69 6.03 0.27 4.85 1.04 -1.26 -1.03 113.70 120.91 1v9o s SER 66 Ca 0.04 1.14 -0.01 0.00 0.48 0.00 0.00 55.95 57.60 1v9o s SER 66 Cb 0.05 -2.22 0.61 0.00 0.10 0.00 0.00 66.02 64.56 1v9o s SER 66 CO -0.08 -0.89 1.66 -0.33 0.98 0.00 0.00 173.24 174.58 1v9o h GLU 67 N -0.20 0.22 0.00 4.02 4.39 -1.90 0.07 114.58 121.18 1v9o h GLU 67 Ca -0.45 -0.01 -0.00 0.00 0.34 0.00 0.00 59.36 59.23 1v9o h GLU 67 Cb 1.21 -0.05 -0.00 0.00 -0.10 0.00 0.00 28.75 29.81 1v9o h GLU 67 CO 0.62 0.15 -0.02 -1.35 -1.16 0.00 0.00 179.01 177.25 1v9o h PRO 68 N 0.23 0.00 -0.06 2.33 0.11 -1.96 -2.56 132.00 130.09 1v9o h PRO 68 Ca 0.50 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.61 1v9o h PRO 68 Cb 0.95 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.06 1v9o h PRO 68 CO -0.61 0.02 0.00 1.19 -0.21 0.00 0.00 178.00 178.39 1v9o n PHE 69 N -3.23 0.04 0.33 0.65 3.01 0.00 -4.53 117.46 113.73 1v9o n PHE 69 Ca -0.02 -0.02 -0.16 0.00 1.01 0.00 0.00 57.45 58.26 1v9o n PHE 69 Cb 0.16 0.00 -0.08 0.00 -0.01 0.00 0.00 39.48 39.55 1v9o n PHE 69 CO 0.00 0.00 0.00 0.28 1.01 0.00 0.00 176.76 178.05 1v9o h VAL 70 N 4.17 0.26 -0.51 -4.37 2.07 -1.34 -1.77 116.25 114.76 1v9o h VAL 70 Ca 0.00 -0.26 0.04 0.00 0.82 0.00 0.00 66.70 67.30 1v9o h VAL 70 Cb 0.89 0.33 -0.04 0.00 -1.52 0.00 0.00 31.29 30.95 1v9o h VAL 70 CO 0.00 0.03 0.27 0.11 0.02 0.00 0.00 177.57 178.00 1v9o h LYS 71 N -1.05 0.52 -0.73 1.57 1.57 -1.80 -1.25 116.57 115.40 1v9o h LYS 71 Ca -0.09 -0.03 -0.03 0.00 -1.87 0.00 0.00 60.65 58.63 1v9o h LYS 71 Cb 0.70 -0.12 -0.03 0.00 0.08 0.00 0.00 32.23 32.86 1v9o h LYS 71 CO 0.14 0.34 0.32 -1.35 -0.57 0.00 0.00 179.45 178.34 1v9o h PRO 72 N 0.53 1.05 -0.23 3.15 0.11 -1.80 0.22 132.00 135.03 1v9o h PRO 72 Ca 0.22 -0.16 -0.07 0.00 0.11 0.00 0.00 66.00 66.10 1v9o h PRO 72 Cb 0.10 -0.19 -0.01 0.00 0.11 0.00 0.00 31.00 31.01 1v9o h PRO 72 CO -0.14 0.83 -0.12 1.15 -0.21 0.00 0.00 178.00 179.52 1v9o h THR 73 N 1.04 1.30 -0.56 -1.15 2.02 -0.95 -1.77 112.91 112.85 1v9o h THR 73 Ca 0.25 -1.20 -0.04 0.00 0.77 0.00 0.00 66.41 66.19 1v9o h THR 73 Cb 0.14 1.59 -0.02 0.00 -1.74 0.00 0.00 68.15 68.12 1v9o h THR 73 CO -0.03 0.37 0.18 0.58 0.37 0.00 0.00 175.52 176.99 1v9o h VAL 74 N 0.21 1.23 -0.69 3.16 2.07 -1.08 -2.48 116.25 118.68 1v9o h VAL 74 Ca 0.05 -0.78 0.03 0.00 0.82 0.00 0.00 66.70 66.82 1v9o h VAL 74 Cb 0.62 0.70 -0.04 0.00 -1.52 0.00 0.00 31.29 31.04 1v9o h VAL 74 CO 0.04 0.29 0.43 -0.08 0.02 0.00 0.00 177.57 178.27 1v9o h GLU 75 N 0.77 0.82 -0.28 1.57 4.57 -0.87 -1.13 114.58 120.03 1v9o h GLU 75 Ca 0.18 -0.05 -0.00 0.00 -1.18 0.00 0.00 59.36 58.31 1v9o h GLU 75 Cb 0.27 -0.19 -0.01 0.00 -0.16 0.00 0.00 28.75 28.66 1v9o h GLU 75 CO -0.01 0.55 0.16 0.00 -1.18 0.00 0.00 179.01 178.53 1v9o h ALA 76 N 1.29 0.36 -0.14 2.92 0.00 -1.04 -1.76 119.26 120.89 1v9o h ALA 76 Ca 0.27 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 55.10 1v9o h ALA 76 Cb 0.01 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 1v9o h ALA 76 CO -0.10 -0.11 0.02 0.82 0.00 0.00 0.00 179.25 179.88 1v9o h ILE 77 N 0.35 1.23 -0.43 0.00 2.04 -1.24 -1.60 117.51 117.86 1v9o h ILE 77 Ca 0.10 -0.73 0.06 0.00 1.00 0.00 0.00 64.86 65.29 1v9o h ILE 77 Cb 0.05 1.43 -0.05 0.00 -0.74 0.00 0.00 36.82 37.52 1v9o h ILE 77 CO -0.02 0.21 0.14 -0.07 0.00 0.00 0.00 178.15 178.41 1v9o h LEU 78 N 0.01 0.12 -0.25 1.44 3.38 -1.13 0.17 115.31 119.05 1v9o h LEU 78 Ca 0.04 0.06 -0.05 0.00 0.09 0.00 0.00 57.88 58.02 1v9o h LEU 78 Cb 0.31 0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.11 1v9o h LEU 78 CO 0.00 0.10 -0.02 0.50 0.09 0.00 0.00 178.44 179.11 1v9o h LYS 79 N 0.29 0.46 0.07 1.13 3.64 -1.28 -3.22 116.57 117.65 1v9o h LYS 79 Ca 0.21 -0.16 -0.24 0.00 -1.27 0.00 0.00 60.65 59.19 1v9o h LYS 79 Cb 0.21 -0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 31.99 1v9o h LYS 79 CO -0.23 0.65 -1.11 0.00 -2.27 0.00 0.00 179.45 176.50 1v9o h ALA 80 N 0.79 0.24 -0.00 5.00 0.00 -1.08 -3.34 119.26 120.87 1v9o h ALA 80 Ca 0.07 -0.87 0.00 0.00 0.00 0.00 0.00 54.91 54.11 1v9o h ALA 80 Cb 0.45 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.18 1v9o h ALA 80 CO 0.02 1.06 -0.15 0.00 0.00 0.00 0.00 179.25 180.18 1v9o n ALA 81 N -2.46 2.79 -2.09 0.00 0.00 0.58 -4.67 120.51 114.66 1v9o n ALA 81 Ca -0.05 -0.25 -0.41 0.00 0.00 0.00 0.00 53.44 52.74 1v9o n ALA 81 Cb 0.96 -1.33 -0.04 0.00 0.00 0.00 0.00 19.45 19.04 1v9o n ALA 81 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 1v9o s ARG 82 N -2.65 4.65 0.00 0.00 3.52 -1.22 -4.83 118.95 118.43 1v9o s ARG 82 Ca 0.23 1.61 0.00 0.00 -0.13 0.00 0.00 55.73 57.45 1v9o s ARG 82 Cb 0.19 -3.31 0.00 0.00 -1.56 0.00 0.00 34.95 30.28 1v9o s ARG 82 CO 0.52 0.17 0.00 0.25 -0.81 0.00 0.00 175.30 175.42 1v9o n THR 83 N 2.39 0.00 -0.20 4.11 -2.24 -1.26 -5.01 114.28 112.06 1v9o n THR 83 Ca 0.02 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.80 1v9o n THR 83 Cb 0.47 0.09 0.00 0.00 -2.10 0.00 0.00 70.33 68.79 1v9o n THR 83 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1v9o n GLY 84 N 2.26 1.17 3.91 3.38 0.00 -1.26 -5.04 105.19 109.60 1v9o n GLY 84 Ca 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.79 1v9o n GLY 84 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1v9o s GLU 85 N -0.51 3.26 0.25 1.61 0.41 -1.26 -5.06 118.70 117.40 1v9o s GLU 85 Ca 0.00 -0.80 -0.31 0.00 -0.41 0.00 0.00 54.97 53.45 1v9o s GLU 85 Cb 0.00 -2.81 -0.12 0.00 -1.78 0.00 0.00 34.13 29.42 1v9o s GLU 85 CO 0.00 0.45 1.59 0.28 -0.49 0.00 0.00 175.26 177.09 1v9o n VAL 86 N -1.02 0.69 0.00 2.63 0.31 -1.26 -3.04 118.33 116.64 1v9o n VAL 86 Ca -0.08 -0.17 0.00 0.00 -0.01 0.00 0.00 64.34 64.08 1v9o n VAL 86 Cb 0.56 -1.83 0.00 0.00 -0.91 0.00 0.00 33.84 31.66 1v9o n VAL 86 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1v9o n GLY 87 N 2.68 0.81 0.34 2.92 0.00 -1.26 -5.00 105.19 105.67 1v9o n GLY 87 Ca 0.12 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.28 1v9o n GLY 87 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1v9o h ASP 88 N 0.00 0.09 -5.00 1.61 5.19 -1.90 -3.41 116.42 113.00 1v9o h ASP 88 Ca 0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 1v9o h ASP 88 Cb 0.00 -0.02 0.00 0.00 0.18 0.00 0.00 39.33 39.49 1v9o h ASP 88 CO 0.00 0.06 0.00 0.61 -3.12 0.00 0.00 179.24 176.79 1v9o n GLY 89 N -1.58 -1.05 3.18 2.75 0.00 -1.26 -4.14 105.19 103.10 1v9o n GLY 89 Ca 0.06 -2.16 -0.08 0.00 0.00 0.00 0.00 46.02 43.83 1v9o n GLY 89 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1v9o s LYS 90 N -0.06 0.82 -0.14 1.61 1.02 -1.09 -4.97 119.74 116.93 1v9o s LYS 90 Ca 0.00 -1.13 0.01 0.00 0.02 0.00 0.00 55.97 54.87 1v9o s LYS 90 Cb 0.00 0.29 0.02 0.00 -0.52 0.00 0.00 37.83 37.62 1v9o s LYS 90 CO 0.00 -0.24 -0.15 0.42 -0.92 0.00 0.00 175.35 174.46 1v9o s ILE 91 N -3.92 1.63 -0.17 2.17 1.01 -1.26 -1.09 121.20 119.58 1v9o s ILE 91 Ca 0.09 -0.68 -0.04 0.00 0.00 0.00 0.00 60.65 60.02 1v9o s ILE 91 Cb 0.06 -1.51 -0.03 0.00 0.01 0.00 0.00 42.46 40.99 1v9o s ILE 91 CO -0.08 0.47 -0.02 -0.36 0.00 0.00 0.00 174.94 174.96 1v9o s PHE 92 N 1.34 3.06 -0.39 3.97 0.40 0.15 -4.97 117.98 121.55 1v9o s PHE 92 Ca 0.02 -0.26 -0.09 0.00 -0.60 0.00 0.00 56.93 56.00 1v9o s PHE 92 Cb -0.13 -2.00 0.06 0.00 0.51 0.00 0.00 43.02 41.46 1v9o s PHE 92 CO -0.09 -0.04 0.21 0.08 0.70 0.00 0.00 175.22 176.09 1v9o s VAL 93 N 0.46 4.24 -0.11 -0.44 1.01 -1.26 -0.45 120.40 123.84 1v9o s VAL 93 Ca -0.02 -1.20 -0.06 0.00 0.00 0.00 0.00 61.98 60.70 1v9o s VAL 93 Cb -0.14 -3.49 -0.04 0.00 0.00 0.00 0.00 36.38 32.71 1v9o s VAL 93 CO 0.02 -0.37 0.13 -0.76 0.00 0.00 0.00 175.10 174.12 1v9o s LEU 94 N 1.46 4.29 0.43 3.92 1.43 0.20 -4.92 118.68 125.49 1v9o s LEU 94 Ca 0.02 0.42 -0.24 0.00 -1.03 0.00 0.00 54.13 53.30 1v9o s LEU 94 Cb -0.21 -2.07 -0.08 0.00 0.03 0.00 0.00 46.19 43.86 1v9o s LEU 94 CO 0.04 0.40 1.19 -2.84 0.23 0.00 0.00 176.35 175.36 1v9o s PRO 95 N -1.06 3.91 -0.10 1.29 0.02 -1.26 -0.33 135.00 137.47 1v9o s PRO 95 Ca 0.15 1.87 0.02 0.00 0.02 0.00 0.00 61.00 63.06 1v9o s PRO 95 Cb -0.12 -2.58 0.01 0.00 0.02 0.00 0.00 34.50 31.84 1v9o s PRO 95 CO 0.05 -0.45 -0.15 0.08 -0.33 0.00 0.00 177.00 176.20 1v9o s VAL 96 N -1.44 1.42 0.07 3.83 1.01 -1.19 -4.73 120.40 119.37 1v9o s VAL 96 Ca 0.60 -0.60 -0.18 0.00 0.00 0.00 0.00 61.98 61.80 1v9o s VAL 96 Cb -0.31 -1.30 -0.11 0.00 0.00 0.00 0.00 36.38 34.66 1v9o s VAL 96 CO 0.39 0.42 1.39 -0.08 0.00 0.00 0.00 175.10 177.22 1v9o h GLU 97 N 7.34 0.52 -2.32 2.72 4.81 -1.94 -3.41 114.58 122.30 1v9o h GLU 97 Ca -0.30 -0.26 0.09 0.00 -0.13 0.00 0.00 59.36 58.75 1v9o h GLU 97 Cb 1.18 0.01 -0.15 0.00 0.63 0.00 0.00 28.75 30.41 1v9o h GLU 97 CO 0.48 0.84 0.46 -1.59 -0.73 0.00 0.00 179.01 178.47 1v9o s LYS 98 N -4.38 0.87 -0.02 1.92 -2.85 -1.26 -4.72 119.74 109.30 1v9o s LYS 98 Ca -0.13 -0.28 0.02 0.00 -1.00 0.00 0.00 55.97 54.58 1v9o s LYS 98 Cb 0.07 0.40 -0.00 0.00 -2.06 0.00 0.00 37.83 36.24 1v9o s LYS 98 CO 0.79 -0.37 -0.08 0.08 0.10 0.00 0.00 175.35 175.87 1v9o s VAL 99 N -3.03 0.66 -0.03 1.79 1.01 -0.27 -4.98 120.40 115.56 1v9o s VAL 99 Ca 0.04 -0.32 0.07 0.00 0.00 0.00 0.00 61.98 61.77 1v9o s VAL 99 Cb -0.01 -0.58 -0.02 0.00 0.00 0.00 0.00 36.38 35.77 1v9o s VAL 99 CO -0.08 0.20 -0.23 -0.31 0.00 0.00 0.00 175.10 174.68 1v9o s TYR 100 N 0.03 2.42 -0.27 5.22 1.51 -1.26 -0.30 117.35 124.71 1v9o s TYR 100 Ca -0.00 -0.37 -0.16 0.00 -1.01 0.00 0.00 57.07 55.53 1v9o s TYR 100 Cb -0.06 -1.53 -0.03 0.00 -0.11 0.00 0.00 41.96 40.23 1v9o s TYR 100 CO -0.00 0.02 0.41 0.50 -1.11 0.00 0.00 175.55 175.37 1v9o s ARG 101 N -0.66 4.01 0.19 -0.62 6.06 -0.10 -4.98 118.95 122.86 1v9o s ARG 101 Ca 0.10 0.09 -0.12 0.00 -2.50 0.00 0.00 55.73 53.31 1v9o s ARG 101 Cb -0.10 -3.66 0.13 0.00 0.06 0.00 0.00 34.95 31.38 1v9o s ARG 101 CO -0.01 -0.31 1.85 0.82 -2.50 0.00 0.00 175.30 175.16 1v9o h ILE 102 N 5.40 1.14 -0.48 4.11 2.04 -1.96 0.18 117.51 127.94 1v9o h ILE 102 Ca -0.31 -0.29 -0.02 0.00 1.00 0.00 0.00 64.86 65.25 1v9o h ILE 102 Cb 1.16 0.22 -0.02 0.00 -0.74 0.00 0.00 36.82 37.43 1v9o h ILE 102 CO 0.66 0.15 0.24 -0.09 0.00 0.00 0.00 178.15 179.11 1v9o h ARG 103 N 0.84 0.68 0.00 2.37 2.43 -1.98 -3.29 114.38 115.44 1v9o h ARG 103 Ca 0.24 -0.10 0.00 0.00 -0.81 0.00 0.00 59.98 59.32 1v9o h ARG 103 Cb -0.06 -0.13 0.00 0.00 -0.42 0.00 0.00 29.97 29.36 1v9o h ARG 103 CO -0.07 0.57 -1.08 0.25 -1.51 0.00 0.00 179.97 178.13 1v9o n THR 104 N -4.64 0.00 -0.98 0.20 -2.24 -1.20 -4.97 114.28 100.45 1v9o n THR 104 Ca 0.02 -0.10 0.00 0.00 -2.27 0.00 0.00 64.05 61.69 1v9o n THR 104 Cb 0.11 0.85 0.00 0.00 -2.10 0.00 0.00 70.33 69.19 1v9o n THR 104 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1v9o n GLY 105 N 1.45 0.33 3.76 3.38 0.00 0.63 -4.98 105.19 109.75 1v9o n GLY 105 Ca 0.03 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.64 1v9o n GLY 105 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1v9o s GLU 106 N -0.76 4.62 -0.06 1.61 2.02 -1.23 -4.78 118.70 120.13 1v9o s GLU 106 Ca 0.00 1.81 0.03 0.00 0.02 0.00 0.00 54.97 56.82 1v9o s GLU 106 Cb 0.00 -3.20 -0.02 0.00 0.10 0.00 0.00 34.13 31.01 1v9o s GLU 106 CO 0.00 0.18 -0.13 -2.00 0.02 0.00 0.00 175.26 173.33 1v9o s GLU 107 N -1.29 2.68 0.07 1.61 2.12 -1.26 -0.92 118.70 121.71 1v9o s GLU 107 Ca 0.45 -0.67 0.10 0.00 0.36 0.00 0.00 54.97 55.21 1v9o s GLU 107 Cb -0.32 -2.45 -0.03 0.00 0.26 0.00 0.00 34.13 31.59 1v9o s GLU 107 CO 0.40 0.57 -0.27 -0.51 -0.54 0.00 0.00 175.26 174.92 1v9o s ASP 108 N -0.58 3.22 0.00 -1.70 1.11 0.59 -4.97 116.67 114.34 1v9o s ASP 108 Ca 0.08 -0.65 0.00 0.00 0.18 0.00 0.00 52.55 52.17 1v9o s ASP 108 Cb -0.11 -0.26 0.00 0.00 1.07 0.00 0.00 42.92 43.61 1v9o s ASP 108 CO 0.01 0.23 0.00 1.21 1.18 0.00 0.00 175.17 177.80 1v9o n GLU 109 N 1.47 2.35 0.00 8.23 2.13 -1.26 -1.11 120.64 132.46 1v9o n GLU 109 Ca -0.17 0.00 0.06 0.00 0.66 0.00 0.00 57.16 57.71 1v9o n GLU 109 Cb 0.52 -0.31 0.05 0.00 0.27 0.00 0.00 31.44 31.97 1v9o n GLU 109 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72