#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1v3r s LYS 2 N 0.00 0.69 -0.18 0.03 -0.14 -0.35 -3.55 119.74 116.24 1v3r s LYS 2 Ca 0.00 -1.08 -0.02 0.00 -1.36 0.00 0.00 55.97 53.51 1v3r s LYS 2 Cb 0.00 -0.21 -0.01 0.00 -1.68 0.00 0.00 37.83 35.94 1v3r s LYS 2 CO 0.00 0.00 -0.10 -1.17 -0.76 0.00 0.00 175.35 173.32 1v3r s LEU 3 N -2.42 2.70 -0.17 3.17 2.96 -0.25 -1.38 118.68 123.29 1v3r s LEU 3 Ca 0.02 -0.41 -0.07 0.00 -0.22 0.00 0.00 54.13 53.46 1v3r s LEU 3 Cb -0.01 -1.65 -0.04 0.00 0.50 0.00 0.00 46.19 44.99 1v3r s LEU 3 CO -0.03 0.05 0.04 -0.63 -1.32 0.00 0.00 176.35 174.47 1v3r s ILE 4 N 1.03 4.62 -0.18 6.68 1.01 0.07 -0.40 121.20 134.03 1v3r s ILE 4 Ca -0.01 -0.10 0.01 0.00 0.00 0.00 0.00 60.65 60.56 1v3r s ILE 4 Cb -0.15 -3.07 0.02 0.00 0.01 0.00 0.00 42.46 39.28 1v3r s ILE 4 CO -0.02 0.47 -0.18 -0.69 0.00 0.00 0.00 174.94 174.53 1v3r s VAL 5 N 0.33 1.94 -0.00 2.92 1.01 -0.40 -0.39 120.40 125.81 1v3r s VAL 5 Ca 0.02 -0.90 0.06 0.00 0.00 0.00 0.00 61.98 61.16 1v3r s VAL 5 Cb -0.13 -1.79 -0.02 0.00 0.00 0.00 0.00 36.38 34.45 1v3r s VAL 5 CO 0.01 0.48 -0.20 0.00 0.00 0.00 0.00 175.10 175.39 1v3r s ALA 6 N 1.33 1.68 -0.22 5.51 0.00 -0.18 0.02 121.76 129.90 1v3r s ALA 6 Ca 0.04 -0.90 -0.02 0.00 0.00 0.00 0.00 51.96 51.08 1v3r s ALA 6 Cb -0.13 -0.41 0.01 0.00 0.00 0.00 0.00 23.12 22.59 1v3r s ALA 6 CO -0.12 0.40 -0.09 0.42 0.00 0.00 0.00 175.76 176.38 1v3r s ILE 7 N -0.54 2.90 0.20 0.00 -1.09 -0.41 -0.16 121.20 122.11 1v3r s ILE 7 Ca 0.08 -0.75 0.02 0.00 -2.23 0.00 0.00 60.65 57.77 1v3r s ILE 7 Cb -0.08 -2.34 -0.05 0.00 -1.58 0.00 0.00 42.46 38.41 1v3r s ILE 7 CO -0.00 0.39 0.00 0.68 -1.23 0.00 0.00 174.94 174.78 1v3r s VAL 8 N 1.39 0.81 0.37 2.92 -7.23 -0.31 -2.82 120.40 115.53 1v3r s VAL 8 Ca 0.04 -2.00 -0.26 0.00 -1.81 0.00 0.00 61.98 57.94 1v3r s VAL 8 Cb -0.15 -2.22 -0.09 0.00 0.56 0.00 0.00 36.38 34.49 1v3r s VAL 8 CO -0.06 -0.40 1.17 -0.13 -0.31 0.00 0.00 175.10 175.36 1v3r s ARG 9 N -3.90 4.19 0.34 4.82 0.52 -1.26 -0.61 118.95 123.06 1v3r s ARG 9 Ca 0.26 1.86 0.02 0.00 -0.52 0.00 0.00 55.73 57.36 1v3r s ARG 9 Cb 0.06 -2.80 0.62 0.00 0.52 0.00 0.00 34.95 33.35 1v3r s ARG 9 CO 0.06 -0.21 1.97 -1.35 0.02 0.00 0.00 175.30 175.79 1v3r h PRO 10 N 2.90 0.76 0.00 3.54 0.11 -1.90 -1.40 132.00 136.01 1v3r h PRO 10 Ca -0.48 -0.07 0.00 0.00 0.11 0.00 0.00 66.00 65.55 1v3r h PRO 10 Cb 1.23 -0.16 0.00 0.00 0.11 0.00 0.00 31.00 32.18 1v3r h PRO 10 CO 0.63 0.56 0.00 -0.85 -0.21 0.00 0.00 178.00 178.14 1v3r n GLU 11 N -4.40 0.07 0.00 1.05 0.00 -1.26 -2.04 120.64 114.06 1v3r n GLU 11 Ca 0.05 0.34 0.09 0.00 0.00 0.00 0.00 57.16 57.64 1v3r n GLU 11 Cb 0.10 -1.64 0.04 0.00 0.00 0.00 0.00 31.44 29.93 1v3r n GLU 11 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.13 178.76 1v3r n LYS 12 N -1.77 1.56 -0.06 3.44 4.76 -0.55 -4.71 118.16 120.84 1v3r n LYS 12 Ca 0.03 -1.21 -0.08 0.00 -2.87 0.00 0.00 58.31 54.18 1v3r n LYS 12 Cb 0.17 -1.33 -0.02 0.00 -1.84 0.00 0.00 35.03 32.02 1v3r n LYS 12 CO 0.00 0.00 0.00 1.25 -1.37 0.00 0.00 177.40 177.28 1v3r h LEU 13 N 2.73 -0.28 -1.31 -0.35 5.85 -1.17 -1.29 115.31 119.49 1v3r h LEU 13 Ca 0.00 0.08 0.03 0.00 0.84 0.00 0.00 57.88 58.83 1v3r h LEU 13 Cb 0.67 0.17 -0.04 0.00 0.37 0.00 0.00 40.66 41.83 1v3r h LEU 13 CO 0.00 -0.10 0.48 0.78 -0.34 0.00 0.00 178.44 179.26 1v3r h ASN 14 N -0.03 0.78 -0.38 1.25 2.35 -1.84 0.11 115.58 117.83 1v3r h ASN 14 Ca 0.12 -0.01 -0.14 0.00 -0.55 0.00 0.00 56.30 55.72 1v3r h ASN 14 Cb 0.21 -0.18 -0.01 0.00 0.05 0.00 0.00 38.32 38.39 1v3r h ASN 14 CO -0.27 0.55 -0.29 -0.08 -1.65 0.00 0.00 177.43 175.69 1v3r h GLU 15 N 0.91 0.91 -0.29 0.81 4.81 -1.81 -1.44 114.58 118.49 1v3r h GLU 15 Ca 0.29 -0.42 -0.07 0.00 -0.13 0.00 0.00 59.36 59.03 1v3r h GLU 15 Cb 0.02 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.38 1v3r h GLU 15 CO -0.08 1.07 -0.08 0.28 -0.73 0.00 0.00 179.01 179.48 1v3r h VAL 16 N 0.77 1.28 -0.63 0.32 2.07 -0.25 -1.95 116.25 117.86 1v3r h VAL 16 Ca 0.09 -1.12 -0.01 0.00 0.82 0.00 0.00 66.70 66.47 1v3r h VAL 16 Cb 0.86 1.42 -0.03 0.00 -1.52 0.00 0.00 31.29 32.02 1v3r h VAL 16 CO 0.08 0.36 0.34 -0.07 0.02 0.00 0.00 177.57 178.29 1v3r h LEU 17 N 0.32 0.79 -0.26 2.57 3.38 -0.73 -0.82 115.31 120.57 1v3r h LEU 17 Ca 0.07 -0.10 0.00 0.00 0.09 0.00 0.00 57.88 57.94 1v3r h LEU 17 Cb 0.57 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.10 1v3r h LEU 17 CO 0.03 0.66 0.17 0.11 0.09 0.00 0.00 178.44 179.50 1v3r h LYS 18 N 0.85 0.35 -0.75 1.13 1.57 -1.23 -0.63 116.57 117.86 1v3r h LYS 18 Ca 0.22 -0.02 -0.02 0.00 -1.87 0.00 0.00 60.65 58.95 1v3r h LYS 18 Cb 0.05 -0.08 -0.04 0.00 0.08 0.00 0.00 32.23 32.25 1v3r h LYS 18 CO -0.03 0.24 0.37 0.00 -0.57 0.00 0.00 179.45 179.46 1v3r h ALA 19 N 1.09 1.24 -0.16 3.86 0.00 -1.05 -0.79 119.26 123.43 1v3r h ALA 19 Ca 0.10 -0.14 -0.03 0.00 0.00 0.00 0.00 54.91 54.84 1v3r h ALA 19 Cb -0.03 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.46 1v3r h ALA 19 CO -0.02 0.59 -0.01 -0.07 0.00 0.00 0.00 179.25 179.74 1v3r h LEU 20 N 1.06 0.29 -0.56 0.00 3.38 -0.77 -1.95 115.31 116.76 1v3r h LEU 20 Ca 0.26 -0.33 0.07 0.00 0.09 0.00 0.00 57.88 57.97 1v3r h LEU 20 Cb 0.09 -0.08 -0.06 0.00 0.09 0.00 0.00 40.66 40.70 1v3r h LEU 20 CO -0.04 0.55 0.25 0.15 0.09 0.00 0.00 178.44 179.44 1v3r h PHE 21 N 0.03 0.45 -0.06 1.13 3.04 -0.86 0.45 116.94 121.11 1v3r h PHE 21 Ca 0.05 0.03 -0.02 0.00 3.98 0.00 0.00 57.97 62.00 1v3r h PHE 21 Cb 0.40 -0.12 -0.01 0.00 2.56 0.00 0.00 35.95 38.79 1v3r h PHE 21 CO 0.04 0.18 -0.04 1.96 -2.02 0.00 0.00 178.31 178.43 1v3r h GLN 22 N 0.47 0.09 -0.21 1.11 1.08 -1.03 -0.42 115.11 116.20 1v3r h GLN 22 Ca 0.27 -0.01 0.00 0.00 -1.45 0.00 0.00 58.65 57.46 1v3r h GLN 22 Cb 0.25 -0.02 0.00 0.00 -0.05 0.00 0.00 27.48 27.66 1v3r h GLN 22 CO -0.23 0.14 0.00 0.00 -0.95 0.00 0.00 178.83 177.79 1v3r n ALA 23 N -2.52 2.48 -1.39 3.87 0.00 -0.00 -4.88 120.51 118.07 1v3r n ALA 23 Ca -0.02 -0.40 -0.09 0.00 0.00 0.00 0.00 53.44 52.94 1v3r n ALA 23 Cb 0.15 -1.02 -0.03 0.00 0.00 0.00 0.00 19.45 18.55 1v3r n ALA 23 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1v3r n GLU 24 N 0.12 -0.62 -3.45 0.00 1.02 -0.17 -4.98 120.64 112.57 1v3r n GLU 24 Ca 0.09 0.75 -0.43 0.00 -0.02 0.00 0.00 57.16 57.55 1v3r n GLU 24 Cb 0.20 -4.64 -0.06 0.00 -0.02 0.00 0.00 31.44 26.93 1v3r n GLU 24 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 1v3r s VAL 25 N -2.34 4.82 -0.22 2.62 1.01 -0.32 -4.91 120.40 121.07 1v3r s VAL 25 Ca 0.00 -2.18 0.05 0.00 0.00 0.00 0.00 61.98 59.85 1v3r s VAL 25 Cb 0.00 -4.07 -0.16 0.00 0.00 0.00 0.00 36.38 32.14 1v3r s VAL 25 CO 0.00 -0.90 -0.15 0.54 0.00 0.00 0.00 175.10 174.59 1v3r n ARG 26 N 4.40 0.67 -2.70 2.72 3.00 -1.26 -3.81 116.66 119.68 1v3r n ARG 26 Ca 0.01 0.10 -0.43 0.00 -0.01 0.00 0.00 57.85 57.53 1v3r n ARG 26 Cb 0.42 -1.46 -0.02 0.00 0.00 0.00 0.00 32.46 31.40 1v3r n ARG 26 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.63 177.83 1v3r s GLY 27 N -6.02 1.80 0.10 -0.13 0.00 -1.26 -4.99 107.32 96.83 1v3r s GLY 27 Ca -0.26 0.17 -0.26 0.00 0.00 0.00 0.00 44.72 44.36 1v3r s GLY 27 CO 0.57 2.10 0.98 0.48 0.00 0.00 0.00 173.10 177.23 1v3r s LEU 28 N 2.98 -0.20 0.14 0.66 0.05 -1.26 -4.41 118.68 116.64 1v3r s LEU 28 Ca 0.43 -0.30 0.04 0.00 0.05 0.00 0.00 54.13 54.35 1v3r s LEU 28 Cb -0.15 2.05 -0.04 0.00 -2.05 0.00 0.00 46.19 45.99 1v3r s LEU 28 CO 0.08 -0.78 -0.10 0.42 -0.55 0.00 0.00 176.35 175.42 1v3r s THR 29 N -3.16 1.11 0.09 5.48 -4.23 -0.90 -5.01 115.64 109.03 1v3r s THR 29 Ca 0.11 -2.03 -0.11 0.00 -1.18 0.00 0.00 61.69 58.48 1v3r s THR 29 Cb -0.01 -1.81 0.01 0.00 1.34 0.00 0.00 72.50 72.03 1v3r s THR 29 CO -0.00 -0.75 0.25 -1.48 -0.54 0.00 0.00 174.62 172.09 1v3r s LEU 30 N -3.13 1.12 0.17 4.79 0.05 -1.26 -1.26 118.68 119.17 1v3r s LEU 30 Ca 0.16 -0.53 -0.19 0.00 0.05 0.00 0.00 54.13 53.61 1v3r s LEU 30 Cb 0.03 1.27 0.05 0.00 -2.05 0.00 0.00 46.19 45.48 1v3r s LEU 30 CO -0.00 -0.75 0.53 -0.94 -0.55 0.00 0.00 176.35 174.64 1v3r s SER 31 N -2.79 -0.38 0.04 1.48 1.04 -0.69 -4.98 113.70 107.43 1v3r s SER 31 Ca 0.04 -0.25 -0.18 0.00 0.48 0.00 0.00 55.95 56.04 1v3r s SER 31 Cb 0.04 0.57 -0.06 0.00 0.10 0.00 0.00 66.02 66.66 1v3r s SER 31 CO -0.11 -0.98 0.51 -0.13 0.98 0.00 0.00 173.24 173.51 1v3r s ARG 32 N -3.81 4.11 0.21 4.02 3.00 -1.26 -0.65 118.95 124.58 1v3r s ARG 32 Ca 0.04 0.62 0.00 0.00 0.00 0.00 0.00 55.73 56.40 1v3r s ARG 32 Cb -0.00 -3.24 -0.05 0.00 0.00 0.00 0.00 34.95 31.66 1v3r s ARG 32 CO -0.09 0.63 0.09 0.14 0.00 0.00 0.00 175.30 176.07 1v3r s VAL 33 N -1.01 0.34 -0.14 3.52 -7.23 -0.28 -4.92 120.40 110.68 1v3r s VAL 33 Ca 0.27 -1.98 -0.04 0.00 -1.81 0.00 0.00 61.98 58.42 1v3r s VAL 33 Cb -0.18 -2.42 -0.03 0.00 0.56 0.00 0.00 36.38 34.30 1v3r s VAL 33 CO 0.17 -0.15 0.01 -1.10 -0.31 0.00 0.00 175.10 173.72 1v3r s GLN 34 N -4.06 3.53 0.22 4.82 -0.21 -1.26 -0.64 119.66 122.07 1v3r s GLN 34 Ca 0.34 -0.43 0.06 0.00 0.02 0.00 0.00 55.36 55.35 1v3r s GLN 34 Cb 0.07 -2.96 -0.03 0.00 1.00 0.00 0.00 33.01 31.08 1v3r s GLN 34 CO 0.10 0.41 0.25 0.20 -2.12 0.00 0.00 175.29 174.13 1v3r s GLY 35 N -0.07 1.43 0.00 3.09 0.00 0.17 -4.88 107.32 107.05 1v3r s GLY 35 Ca 0.04 -1.29 0.00 0.00 0.00 0.00 0.00 44.72 43.47 1v3r s GLY 35 CO 0.02 -1.31 0.00 1.57 0.00 0.00 0.00 173.10 173.38 1v3r n HIS 36 N -1.05 0.00 -4.09 1.90 -0.00 -1.26 -2.49 115.22 108.23 1v3r n HIS 36 Ca -0.08 0.00 -0.12 0.00 -0.00 0.00 0.00 57.72 57.52 1v3r n HIS 36 Cb 0.57 0.00 -0.11 0.00 -0.00 0.00 0.00 29.99 30.45 1v3r n HIS 36 CO 0.00 0.00 0.00 -0.48 -0.00 0.00 0.00 176.34 175.86 1v3r s LEU 55 N 0.00 2.34 -0.06 0.27 2.34 -1.26 -5.27 118.68 117.04 1v3r s LEU 55 Ca 0.00 -0.70 -0.04 0.00 0.06 0.00 0.00 54.13 53.44 1v3r s LEU 55 Cb 0.00 -0.11 0.02 0.00 -0.56 0.00 0.00 46.19 45.54 1v3r s LEU 55 CO 0.00 -0.30 0.14 -1.00 -1.06 0.00 0.00 176.35 174.13 1v3r s HIS 56 N -2.16 -0.16 0.40 3.48 3.76 -1.04 -5.14 115.29 114.43 1v3r s HIS 56 Ca -0.03 0.40 -0.26 0.00 -0.15 0.00 0.00 55.06 55.02 1v3r s HIS 56 Cb -0.05 0.02 -0.09 0.00 1.11 0.00 0.00 32.58 33.58 1v3r s HIS 56 CO -0.02 -0.10 1.28 -1.83 -0.85 0.00 0.00 174.74 173.23 1v3r s GLU 57 N 0.33 4.01 0.14 1.40 -1.05 -1.26 0.44 118.70 122.71 1v3r s GLU 57 Ca -0.02 2.10 -0.01 0.00 -0.15 0.00 0.00 54.97 56.89 1v3r s GLU 57 Cb -0.03 -2.76 -0.04 0.00 -0.44 0.00 0.00 34.13 30.85 1v3r s GLU 57 CO -0.01 -0.44 0.06 0.15 0.95 0.00 0.00 175.26 175.96 1v3r s LYS 58 N -2.22 0.98 -0.10 -4.83 -0.14 0.19 -4.43 119.74 109.19 1v3r s LYS 58 Ca 0.56 -1.47 0.02 0.00 -1.36 0.00 0.00 55.97 53.72 1v3r s LYS 58 Cb -0.37 0.19 -0.02 0.00 -1.68 0.00 0.00 37.83 35.96 1v3r s LYS 58 CO 0.47 -0.26 -0.15 0.08 -0.76 0.00 0.00 175.35 174.73 1v3r s VAL 59 N -4.02 2.91 -0.23 3.17 1.01 0.22 -1.12 120.40 122.34 1v3r s VAL 59 Ca 0.26 -0.74 -0.05 0.00 0.00 0.00 0.00 61.98 61.46 1v3r s VAL 59 Cb 0.07 -2.18 -0.01 0.00 0.00 0.00 0.00 36.38 34.26 1v3r s VAL 59 CO 0.03 0.55 -0.01 -0.60 0.00 0.00 0.00 175.10 175.07 1v3r s ARG 60 N -0.02 3.44 -0.01 2.72 3.52 0.18 -1.17 118.95 127.62 1v3r s ARG 60 Ca -0.04 -0.59 -0.01 0.00 -0.13 0.00 0.00 55.73 54.96 1v3r s ARG 60 Cb -0.14 -3.09 -0.04 0.00 -1.56 0.00 0.00 34.95 30.11 1v3r s ARG 60 CO 0.04 -0.20 0.10 -0.51 -0.81 0.00 0.00 175.30 173.92 1v3r s LEU 61 N 1.51 3.99 -0.16 -0.88 1.02 0.78 -1.71 118.68 123.24 1v3r s LEU 61 Ca 0.06 0.19 -0.02 0.00 0.02 0.00 0.00 54.13 54.39 1v3r s LEU 61 Cb -0.14 -2.32 0.05 0.00 0.02 0.00 0.00 46.19 43.79 1v3r s LEU 61 CO -0.01 0.28 -0.01 -0.70 0.02 0.00 0.00 176.35 175.93 1v3r s GLU 62 N -1.73 0.96 -0.12 1.70 2.12 -0.38 -1.01 118.70 120.23 1v3r s GLU 62 Ca 0.23 -0.34 -0.01 0.00 0.36 0.00 0.00 54.97 55.21 1v3r s GLU 62 Cb -0.12 -1.81 0.03 0.00 0.26 0.00 0.00 34.13 32.49 1v3r s GLU 62 CO 0.14 -0.48 -0.05 0.42 -0.54 0.00 0.00 175.26 174.75 1v3r s ILE 63 N 1.79 0.89 -0.11 -3.70 1.01 0.47 -2.11 121.20 119.44 1v3r s ILE 63 Ca 0.01 -0.30 -0.20 0.00 0.00 0.00 0.00 60.65 60.15 1v3r s ILE 63 Cb -0.15 -1.00 -0.04 0.00 0.01 0.00 0.00 42.46 41.28 1v3r s ILE 63 CO -0.07 0.26 0.58 -0.83 0.00 0.00 0.00 174.94 174.88 1v3r s GLY 64 N 1.75 2.41 0.05 6.18 0.00 -1.26 -0.75 107.32 115.69 1v3r s GLY 64 Ca 0.04 -0.10 0.01 0.00 0.00 0.00 0.00 44.72 44.67 1v3r s GLY 64 CO -0.08 1.01 -0.05 -1.34 0.00 0.00 0.00 173.10 172.64 1v3r s VAL 65 N 0.91 0.34 0.81 1.40 -7.23 -0.48 -4.96 120.40 111.20 1v3r s VAL 65 Ca 0.30 -1.33 -0.11 0.00 -1.81 0.00 0.00 61.98 59.03 1v3r s VAL 65 Cb -0.16 -0.88 0.08 0.00 0.56 0.00 0.00 36.38 35.98 1v3r s VAL 65 CO 0.13 -0.65 1.10 -0.94 -0.31 0.00 0.00 175.10 174.43 1v3r s SER 66 N -2.09 4.35 0.22 4.85 1.04 -1.26 -1.21 113.70 119.60 1v3r s SER 66 Ca -0.05 1.32 -0.07 0.00 0.48 0.00 0.00 55.95 57.63 1v3r s SER 66 Cb -0.03 -2.04 0.33 0.00 0.10 0.00 0.00 66.02 64.37 1v3r s SER 66 CO -0.03 -2.06 1.77 -0.33 0.98 0.00 0.00 173.24 173.57 1v3r h GLU 67 N -1.15 0.56 0.00 4.02 4.39 -1.96 -1.56 114.58 118.88 1v3r h GLU 67 Ca -0.47 -0.03 0.00 0.00 0.34 0.00 0.00 59.36 59.19 1v3r h GLU 67 Cb 1.27 -0.13 0.00 0.00 -0.10 0.00 0.00 28.75 29.80 1v3r h GLU 67 CO 0.59 0.37 0.00 -1.35 -1.16 0.00 0.00 179.01 177.46 1v3r h PRO 68 N 0.58 0.00 -0.01 2.33 0.11 -2.04 -2.53 132.00 130.44 1v3r h PRO 68 Ca 0.34 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.45 1v3r h PRO 68 Cb 0.37 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.48 1v3r h PRO 68 CO -0.27 0.00 -0.22 1.19 -0.21 0.00 0.00 178.00 178.49 1v3r n PHE 69 N -2.96 0.00 0.33 0.65 3.01 -0.59 -4.43 117.46 113.47 1v3r n PHE 69 Ca -0.01 0.00 -0.17 0.00 1.01 0.00 0.00 57.45 58.28 1v3r n PHE 69 Cb 0.18 -0.06 -0.09 0.00 -0.01 0.00 0.00 39.48 39.50 1v3r n PHE 69 CO 0.00 0.00 0.00 0.28 1.01 0.00 0.00 176.76 178.05 1v3r h VAL 70 N 2.08 0.40 -0.49 -4.37 2.07 -1.39 -1.48 116.25 113.07 1v3r h VAL 70 Ca 0.00 -0.07 -0.02 0.00 0.82 0.00 0.00 66.70 67.43 1v3r h VAL 70 Cb 0.61 0.42 -0.02 0.00 -1.52 0.00 0.00 31.29 30.78 1v3r h VAL 70 CO 0.00 0.01 0.23 0.11 0.02 0.00 0.00 177.57 177.94 1v3r h LYS 71 N -0.85 0.70 -0.68 1.57 6.56 -1.79 -0.13 116.57 121.95 1v3r h LYS 71 Ca -0.08 -0.10 0.05 0.00 -1.06 0.00 0.00 60.65 59.45 1v3r h LYS 71 Cb 0.64 -0.13 -0.04 0.00 -0.57 0.00 0.00 32.23 32.13 1v3r h LYS 71 CO 0.14 0.59 0.45 -1.35 -2.06 0.00 0.00 179.45 177.21 1v3r h PRO 72 N 0.64 0.73 -0.03 3.15 0.11 -1.77 0.12 132.00 134.95 1v3r h PRO 72 Ca 0.17 -0.04 -0.01 0.00 0.11 0.00 0.00 66.00 66.22 1v3r h PRO 72 Cb 0.12 -0.16 -0.00 0.00 0.11 0.00 0.00 31.00 31.07 1v3r h PRO 72 CO -0.02 0.48 -0.04 1.15 -0.21 0.00 0.00 178.00 179.36 1v3r h THR 73 N 0.75 1.42 -0.36 -1.15 2.02 -0.74 -1.61 112.91 113.24 1v3r h THR 73 Ca 0.28 -1.30 0.04 0.00 0.77 0.00 0.00 66.41 66.20 1v3r h THR 73 Cb 0.17 2.23 -0.04 0.00 -1.74 0.00 0.00 68.15 68.77 1v3r h THR 73 CO -0.09 0.35 0.15 0.58 0.37 0.00 0.00 175.52 176.88 1v3r h VAL 74 N -0.44 0.93 -0.76 3.16 2.07 -0.63 -2.39 116.25 118.20 1v3r h VAL 74 Ca 0.00 -0.11 -0.06 0.00 0.82 0.00 0.00 66.70 67.36 1v3r h VAL 74 Cb 0.59 0.59 -0.03 0.00 -1.52 0.00 0.00 31.29 30.91 1v3r h VAL 74 CO 0.01 0.06 0.26 -0.33 0.02 0.00 0.00 177.57 177.58 1v3r h GLU 75 N 0.32 1.16 -0.51 1.57 5.08 -0.80 0.11 114.58 121.51 1v3r h GLU 75 Ca 0.16 -0.24 0.04 0.00 -1.00 0.00 0.00 59.36 58.32 1v3r h GLU 75 Cb 0.11 -0.17 -0.04 0.00 0.50 0.00 0.00 28.75 29.14 1v3r h GLU 75 CO -0.14 0.98 0.27 0.00 -1.00 0.00 0.00 179.01 179.11 1v3r h ALA 76 N 1.13 0.66 -0.14 3.43 0.00 -1.04 -1.26 119.26 122.04 1v3r h ALA 76 Ca 0.25 0.02 -0.07 0.00 0.00 0.00 0.00 54.91 55.10 1v3r h ALA 76 Cb 0.28 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 17.99 1v3r h ALA 76 CO -0.01 -0.07 -0.19 0.82 0.00 0.00 0.00 179.25 179.79 1v3r h ILE 77 N 0.52 1.36 -0.49 0.00 2.04 -1.08 -2.41 117.51 117.45 1v3r h ILE 77 Ca 0.22 -1.40 0.08 0.00 1.00 0.00 0.00 64.86 64.76 1v3r h ILE 77 Cb 0.12 1.94 -0.06 0.00 -0.74 0.00 0.00 36.82 38.07 1v3r h ILE 77 CO -0.15 0.41 0.12 -0.07 0.00 0.00 0.00 178.15 178.46 1v3r h LEU 78 N -0.00 0.05 -0.30 1.44 3.38 -0.59 0.34 115.31 119.63 1v3r h LEU 78 Ca 0.02 0.08 -0.10 0.00 0.09 0.00 0.00 57.88 57.97 1v3r h LEU 78 Cb 0.75 0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.59 1v3r h LEU 78 CO 0.05 0.05 -0.21 0.11 0.09 0.00 0.00 178.44 178.53 1v3r h LYS 79 N 0.26 0.66 0.00 1.13 1.57 -1.25 -3.13 116.57 115.81 1v3r h LYS 79 Ca 0.24 -0.32 -0.13 0.00 -1.87 0.00 0.00 60.65 58.57 1v3r h LYS 79 Cb 0.31 -0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.59 1v3r h LYS 79 CO -0.30 0.92 -0.62 0.00 -0.57 0.00 0.00 179.45 178.88 1v3r h ALA 80 N 0.73 0.65 0.00 3.86 0.00 -1.24 -3.34 119.26 119.92 1v3r h ALA 80 Ca 0.06 -0.56 0.00 0.00 0.00 0.00 0.00 54.91 54.41 1v3r h ALA 80 Cb 0.75 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.45 1v3r h ALA 80 CO 0.06 0.77 -0.91 0.00 0.00 0.00 0.00 179.25 179.17 1v3r h ALA 81 N 1.38 0.54 -2.82 0.00 0.00 -1.01 -3.42 119.26 113.93 1v3r h ALA 81 Ca -0.01 0.00 -0.51 0.00 0.00 0.00 0.00 54.91 54.39 1v3r h ALA 81 Cb 1.39 0.00 0.04 0.00 0.00 0.00 0.00 17.79 19.22 1v3r h ALA 81 CO 0.08 0.00 0.57 0.50 0.00 0.00 0.00 179.25 180.40 1v3r s ARG 82 N -3.35 4.49 0.00 0.00 3.52 -1.18 -4.81 118.95 117.62 1v3r s ARG 82 Ca 0.00 2.01 0.00 0.00 -0.13 0.00 0.00 55.73 57.62 1v3r s ARG 82 Cb 0.09 -3.14 0.00 0.00 -1.56 0.00 0.00 34.95 30.34 1v3r s ARG 82 CO 0.78 -0.02 0.00 0.25 -0.81 0.00 0.00 175.30 175.50 1v3r n THR 83 N 1.20 0.00 0.00 4.11 -2.24 -1.26 -5.03 114.28 111.06 1v3r n THR 83 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 1v3r n THR 83 Cb 0.43 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.66 1v3r n THR 83 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1v3r n GLY 84 N 2.11 2.68 3.86 3.38 0.00 -1.26 -5.07 105.19 110.89 1v3r n GLY 84 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 1v3r n GLY 84 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1v3r s GLU 85 N -0.85 3.86 0.25 1.61 8.01 -1.26 -5.02 118.70 125.30 1v3r s GLU 85 Ca 0.00 0.32 -0.31 0.00 0.01 0.00 0.00 54.97 54.99 1v3r s GLU 85 Cb 0.00 -2.88 -0.13 0.00 -4.31 0.00 0.00 34.13 26.82 1v3r s GLU 85 CO 0.00 0.46 1.49 0.28 0.01 0.00 0.00 175.26 177.50 1v3r n VAL 86 N 0.56 0.87 0.00 2.63 0.31 -1.26 -3.16 118.33 118.29 1v3r n VAL 86 Ca -0.04 -0.22 0.00 0.00 -0.01 0.00 0.00 64.34 64.07 1v3r n VAL 86 Cb 0.52 -1.64 0.00 0.00 -0.91 0.00 0.00 33.84 31.81 1v3r n VAL 86 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1v3r n GLY 87 N 2.31 1.28 0.22 2.92 0.00 -1.26 -5.00 105.19 105.66 1v3r n GLY 87 Ca 0.11 0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.28 1v3r n GLY 87 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1v3r h ASP 88 N 0.00 0.00 -5.00 1.61 3.45 -1.91 -3.44 116.42 111.13 1v3r h ASP 88 Ca 0.00 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.46 1v3r h ASP 88 Cb 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 38.77 1v3r h ASP 88 CO 0.00 0.00 0.00 0.61 -1.57 0.00 0.00 179.24 178.28 1v3r n GLY 89 N -0.03 -1.16 3.19 2.75 0.00 -1.26 -4.30 105.19 104.38 1v3r n GLY 89 Ca 0.01 -2.20 -0.09 0.00 0.00 0.00 0.00 46.02 43.74 1v3r n GLY 89 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1v3r s LYS 90 N -0.42 0.86 -0.12 1.61 1.02 -1.13 -4.98 119.74 116.58 1v3r s LYS 90 Ca 0.00 -1.18 -0.01 0.00 0.02 0.00 0.00 55.97 54.81 1v3r s LYS 90 Cb 0.00 0.29 0.03 0.00 -0.52 0.00 0.00 37.83 37.63 1v3r s LYS 90 CO 0.00 -0.25 -0.04 0.42 -0.92 0.00 0.00 175.35 174.55 1v3r s ILE 91 N -3.94 0.87 -0.16 2.17 1.01 -1.26 -1.28 121.20 118.61 1v3r s ILE 91 Ca 0.12 -0.31 -0.08 0.00 0.00 0.00 0.00 60.65 60.38 1v3r s ILE 91 Cb 0.06 -1.00 -0.04 0.00 0.01 0.00 0.00 42.46 41.49 1v3r s ILE 91 CO -0.06 0.23 0.11 -0.36 0.00 0.00 0.00 174.94 174.86 1v3r s PHE 92 N 1.76 3.43 -0.26 3.97 0.40 0.10 -4.97 117.98 122.41 1v3r s PHE 92 Ca 0.03 0.34 -0.02 0.00 -0.60 0.00 0.00 56.93 56.68 1v3r s PHE 92 Cb -0.14 -2.03 0.02 0.00 0.51 0.00 0.00 43.02 41.39 1v3r s PHE 92 CO -0.07 0.45 -0.04 0.08 0.70 0.00 0.00 175.22 176.33 1v3r s VAL 93 N -0.27 3.03 -0.05 -0.44 1.01 -1.26 -1.27 120.40 121.15 1v3r s VAL 93 Ca 0.10 -0.99 0.01 0.00 0.00 0.00 0.00 61.98 61.09 1v3r s VAL 93 Cb -0.12 -2.55 -0.03 0.00 0.00 0.00 0.00 36.38 33.68 1v3r s VAL 93 CO 0.01 0.17 -0.03 -0.76 0.00 0.00 0.00 175.10 174.49 1v3r s LEU 94 N 1.35 3.36 0.30 3.92 1.02 0.47 -4.95 118.68 124.14 1v3r s LEU 94 Ca 0.00 0.01 -0.29 0.00 0.02 0.00 0.00 54.13 53.88 1v3r s LEU 94 Cb -0.17 -1.81 -0.09 0.00 0.02 0.00 0.00 46.19 44.14 1v3r s LEU 94 CO -0.03 0.34 1.12 -2.16 0.02 0.00 0.00 176.35 175.63 1v3r s PRO 95 N -1.07 4.53 -0.07 1.29 0.04 -1.26 -1.09 135.00 137.37 1v3r s PRO 95 Ca 0.15 1.82 0.05 0.00 0.04 0.00 0.00 61.00 63.05 1v3r s PRO 95 Cb -0.11 -3.08 -0.00 0.00 0.04 0.00 0.00 34.50 31.34 1v3r s PRO 95 CO 0.04 0.10 -0.22 0.08 0.04 0.00 0.00 177.00 177.04 1v3r s VAL 96 N -1.23 1.86 0.02 -0.36 1.01 -1.23 -4.74 120.40 115.74 1v3r s VAL 96 Ca 0.47 -0.94 -0.13 0.00 0.00 0.00 0.00 61.98 61.37 1v3r s VAL 96 Cb -0.32 -1.59 -0.34 0.00 0.00 0.00 0.00 36.38 34.13 1v3r s VAL 96 CO 0.41 0.52 0.96 -0.33 0.00 0.00 0.00 175.10 176.66 1v3r h GLU 97 N 6.32 0.48 -3.11 2.72 5.08 -1.95 -3.42 114.58 120.70 1v3r h GLU 97 Ca -0.29 -0.83 -0.13 0.00 -1.00 0.00 0.00 59.36 57.12 1v3r h GLU 97 Cb 1.19 0.31 -0.21 0.00 0.50 0.00 0.00 28.75 30.54 1v3r h GLU 97 CO 0.47 1.39 -0.32 0.15 -1.00 0.00 0.00 179.01 179.70 1v3r s LYS 98 N -2.60 0.59 -0.04 2.33 1.02 -1.26 -4.99 119.74 114.78 1v3r s LYS 98 Ca -0.10 -0.14 0.01 0.00 0.02 0.00 0.00 55.97 55.77 1v3r s LYS 98 Cb 0.05 0.26 0.02 0.00 -0.52 0.00 0.00 37.83 37.64 1v3r s LYS 98 CO 0.92 -0.15 -0.06 0.08 -0.92 0.00 0.00 175.35 175.23 1v3r s VAL 99 N -1.13 0.59 0.02 3.17 1.01 -1.26 -5.05 120.40 117.74 1v3r s VAL 99 Ca -0.12 -0.19 0.07 0.00 0.00 0.00 0.00 61.98 61.75 1v3r s VAL 99 Cb -0.05 -0.58 -0.03 0.00 0.00 0.00 0.00 36.38 35.71 1v3r s VAL 99 CO 0.03 0.22 -0.21 -0.31 0.00 0.00 0.00 175.10 174.84 1v3r s TYR 100 N 0.69 2.49 -0.35 5.22 1.51 -1.26 -0.58 117.35 125.06 1v3r s TYR 100 Ca -0.10 -0.31 -0.16 0.00 -1.01 0.00 0.00 57.07 55.49 1v3r s TYR 100 Cb -0.13 -1.48 -0.01 0.00 -0.11 0.00 0.00 41.96 40.24 1v3r s TYR 100 CO 0.00 0.16 0.42 0.50 -1.11 0.00 0.00 175.55 175.53 1v3r s ARG 101 N -1.13 3.53 0.31 -0.62 3.52 0.57 -4.97 118.95 120.17 1v3r s ARG 101 Ca 0.13 -0.37 0.01 0.00 -0.13 0.00 0.00 55.73 55.36 1v3r s ARG 101 Cb -0.10 -3.82 0.51 0.00 -1.56 0.00 0.00 34.95 29.97 1v3r s ARG 101 CO 0.03 -0.60 1.90 0.82 -0.81 0.00 0.00 175.30 176.64 1v3r h ILE 102 N 5.59 1.20 -0.86 4.11 2.04 -1.95 0.14 117.51 127.78 1v3r h ILE 102 Ca -0.29 -0.60 0.14 0.00 1.00 0.00 0.00 64.86 65.11 1v3r h ILE 102 Cb 1.13 0.51 -0.09 0.00 -0.74 0.00 0.00 36.82 37.64 1v3r h ILE 102 CO 0.73 0.24 0.46 -0.09 0.00 0.00 0.00 178.15 179.49 1v3r h ARG 103 N 0.80 0.65 0.00 2.37 2.43 -1.96 -2.97 114.38 115.70 1v3r h ARG 103 Ca 0.19 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.32 1v3r h ARG 103 Cb 0.14 -0.15 0.00 0.00 -0.42 0.00 0.00 29.97 29.54 1v3r h ARG 103 CO -0.02 0.43 -1.42 0.25 -1.51 0.00 0.00 179.97 177.70 1v3r n THR 104 N -4.84 0.00 -1.08 0.20 -2.24 -1.09 -4.97 114.28 100.25 1v3r n THR 104 Ca 0.17 -0.29 -0.03 0.00 -2.27 0.00 0.00 64.05 61.63 1v3r n THR 104 Cb 0.42 0.44 -0.01 0.00 -2.10 0.00 0.00 70.33 69.08 1v3r n THR 104 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1v3r n GLY 105 N 1.47 0.60 3.87 3.38 0.00 0.49 -5.01 105.19 109.97 1v3r n GLY 105 Ca -0.01 -0.42 -0.24 0.00 0.00 0.00 0.00 46.02 45.35 1v3r n GLY 105 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1v3r s GLU 106 N -1.54 3.13 0.73 1.61 2.02 -1.18 -4.88 118.70 118.59 1v3r s GLU 106 Ca 0.00 -0.82 -0.08 0.00 0.02 0.00 0.00 54.97 54.09 1v3r s GLU 106 Cb 0.00 -2.75 0.06 0.00 0.10 0.00 0.00 34.13 31.54 1v3r s GLU 106 CO 0.00 0.47 1.06 -2.00 0.02 0.00 0.00 175.26 174.81 1v3r s GLU 107 N -3.42 2.21 0.00 1.61 2.12 -1.26 -0.31 118.70 119.64 1v3r s GLU 107 Ca 0.33 -0.10 0.00 0.00 0.36 0.00 0.00 54.97 55.56 1v3r s GLU 107 Cb -0.10 -2.10 0.00 0.00 0.26 0.00 0.00 34.13 32.19 1v3r s GLU 107 CO 0.26 -1.30 0.00 -0.25 -0.54 0.00 0.00 175.26 173.43