#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 0.87 -0.22 0.03 -0.14 -0.28 -3.15 119.74 116.85 1v3r s LYS 2 Ca 0.00 -1.38 0.02 0.00 -1.36 0.00 0.00 55.97 53.25 1v3r s LYS 2 Cb 0.00 -0.07 0.04 0.00 -1.68 0.00 0.00 37.83 36.12 1v3r s LYS 2 CO 0.00 -0.10 -0.15 -1.17 -0.76 0.00 0.00 175.35 173.17 1v3r s LEU 3 N -3.05 2.76 -0.23 3.17 2.96 0.64 -1.58 118.68 123.34 1v3r s LEU 3 Ca 0.16 -1.03 -0.14 0.00 -0.22 0.00 0.00 54.13 52.90 1v3r s LEU 3 Cb 0.06 -1.48 -0.04 0.00 0.50 0.00 0.00 46.19 45.23 1v3r s LEU 3 CO -0.03 -0.11 0.33 -0.63 -1.32 0.00 0.00 176.35 174.60 1v3r s ILE 4 N 1.22 5.23 -0.23 6.68 1.01 0.16 -0.97 121.20 134.30 1v3r s ILE 4 Ca -0.02 0.54 -0.03 0.00 0.00 0.00 0.00 60.65 61.14 1v3r s ILE 4 Cb -0.17 -3.66 0.01 0.00 0.01 0.00 0.00 42.46 38.65 1v3r s ILE 4 CO -0.09 0.25 -0.05 -0.69 0.00 0.00 0.00 174.94 174.36 1v3r s VAL 5 N 1.41 3.11 -0.09 2.92 1.01 0.11 0.09 120.40 128.96 1v3r s VAL 5 Ca 0.15 -0.76 0.04 0.00 0.00 0.00 0.00 61.98 61.42 1v3r s VAL 5 Cb -0.15 -2.49 -0.00 0.00 0.00 0.00 0.00 36.38 33.75 1v3r s VAL 5 CO 0.08 0.32 -0.23 0.00 0.00 0.00 0.00 175.10 175.26 1v3r s ALA 6 N 1.40 2.09 -0.29 5.51 0.00 -0.37 0.20 121.76 130.30 1v3r s ALA 6 Ca 0.03 -0.94 -0.05 0.00 0.00 0.00 0.00 51.96 51.00 1v3r s ALA 6 Cb -0.15 -0.76 0.02 0.00 0.00 0.00 0.00 23.12 22.23 1v3r s ALA 6 CO -0.04 0.30 0.04 0.42 0.00 0.00 0.00 175.76 176.48 1v3r s ILE 7 N 0.25 3.58 0.26 0.00 -1.09 -0.17 -0.26 121.20 123.77 1v3r s ILE 7 Ca -0.15 -0.91 0.05 0.00 -2.23 0.00 0.00 60.65 57.41 1v3r s ILE 7 Cb -0.17 -2.89 -0.06 0.00 -1.58 0.00 0.00 42.46 37.77 1v3r s ILE 7 CO 0.07 0.05 -0.04 0.68 -1.23 0.00 0.00 174.94 174.48 1v3r s VAL 8 N 1.42 1.38 0.36 2.92 -7.23 -0.25 -2.44 120.40 116.56 1v3r s VAL 8 Ca 0.01 -2.08 -0.27 0.00 -1.81 0.00 0.00 61.98 57.82 1v3r s VAL 8 Cb -0.18 -2.40 -0.09 0.00 0.56 0.00 0.00 36.38 34.27 1v3r s VAL 8 CO 0.00 -0.32 1.17 -0.13 -0.31 0.00 0.00 175.10 175.52 1v3r s ARG 9 N -3.78 4.26 0.37 4.82 0.52 -1.26 -0.62 118.95 123.25 1v3r s ARG 9 Ca 0.29 1.88 0.04 0.00 -0.52 0.00 0.00 55.73 57.41 1v3r s ARG 9 Cb 0.05 -2.87 0.70 0.00 0.52 0.00 0.00 34.95 33.35 1v3r s ARG 9 CO 0.10 -0.15 2.03 -1.35 0.02 0.00 0.00 175.30 175.95 1v3r h PRO 10 N 3.06 0.74 0.00 3.54 0.11 -1.91 -1.14 132.00 136.40 1v3r h PRO 10 Ca -0.48 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.58 1v3r h PRO 10 Cb 1.23 -0.17 0.00 0.00 0.11 0.00 0.00 31.00 32.17 1v3r h PRO 10 CO 0.64 0.49 0.00 -0.85 -0.21 0.00 0.00 178.00 178.07 1v3r n GLU 11 N -4.45 0.03 0.00 1.05 0.00 -1.26 -2.12 120.64 113.88 1v3r n GLU 11 Ca 0.05 0.27 0.08 0.00 0.00 0.00 0.00 57.16 57.57 1v3r n GLU 11 Cb 0.05 -1.55 -0.03 0.00 0.00 0.00 0.00 31.44 29.90 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 -1.60 1.62 -0.18 3.44 4.76 -0.45 -4.65 118.16 121.10 1v3r n LYS 12 Ca 0.03 -0.55 -0.01 0.00 -2.87 0.00 0.00 58.31 54.91 1v3r n LYS 12 Cb 0.18 -1.29 0.09 0.00 -1.84 0.00 0.00 35.03 32.17 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 1.24 0.10 -0.67 -0.35 5.85 -1.17 -1.31 115.31 118.99 1v3r h LEU 13 Ca 0.00 0.09 -0.03 0.00 0.84 0.00 0.00 57.88 58.78 1v3r h LEU 13 Cb 0.51 0.10 -0.03 0.00 0.37 0.00 0.00 40.66 41.61 1v3r h LEU 13 CO 0.00 0.07 0.31 0.78 -0.34 0.00 0.00 178.44 179.26 1v3r h ASN 14 N 0.31 0.90 -0.70 1.25 -0.26 -1.83 -0.39 115.58 114.86 1v3r h ASN 14 Ca 0.28 -0.14 -0.07 0.00 -0.56 0.00 0.00 56.30 55.81 1v3r h ASN 14 Cb 0.37 -0.23 -0.03 0.00 -1.06 0.00 0.00 38.32 37.37 1v3r h ASN 14 CO -0.33 0.79 0.17 -0.33 -1.06 0.00 0.00 177.43 176.68 1v3r h GLU 15 N 0.94 1.12 -0.11 0.81 5.08 -1.76 -1.43 114.58 119.23 1v3r h GLU 15 Ca 0.23 -0.27 -0.00 0.00 -1.00 0.00 0.00 59.36 58.32 1v3r h GLU 15 Cb 0.15 -0.15 -0.00 0.00 0.50 0.00 0.00 28.75 29.24 1v3r h GLU 15 CO -0.03 0.99 0.05 0.28 -1.00 0.00 0.00 179.01 179.30 1v3r h VAL 16 N 1.06 1.12 -0.79 3.13 2.07 -0.82 -0.51 116.25 121.50 1v3r h VAL 16 Ca 0.22 -0.35 -0.00 0.00 0.82 0.00 0.00 66.70 67.39 1v3r h VAL 16 Cb 0.37 1.16 -0.04 0.00 -1.52 0.00 0.00 31.29 31.26 1v3r h VAL 16 CO 0.00 0.11 0.49 -0.07 0.02 0.00 0.00 177.57 178.12 1v3r h LEU 17 N 0.04 0.94 -0.60 2.57 3.38 -0.92 -0.47 115.31 120.26 1v3r h LEU 17 Ca 0.04 -0.06 -0.01 0.00 0.09 0.00 0.00 57.88 57.94 1v3r h LEU 17 Cb 0.13 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.61 1v3r h LEU 17 CO -0.00 0.72 0.34 0.11 0.09 0.00 0.00 178.44 179.70 1v3r h LYS 18 N 1.08 0.83 -0.65 1.13 1.57 -1.04 -1.14 116.57 118.34 1v3r h LYS 18 Ca 0.29 -0.09 -0.05 0.00 -1.87 0.00 0.00 60.65 58.92 1v3r h LYS 18 Cb -0.06 -0.17 -0.03 0.00 0.08 0.00 0.00 32.23 32.06 1v3r h LYS 18 CO -0.06 0.62 0.19 0.00 -0.57 0.00 0.00 179.45 179.64 1v3r h ALA 19 N 1.17 1.11 -0.53 3.86 0.00 -0.56 -1.73 119.26 122.58 1v3r h ALA 19 Ca 0.21 -0.21 -0.11 0.00 0.00 0.00 0.00 54.91 54.81 1v3r h ALA 19 Cb 0.02 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.53 1v3r h ALA 19 CO -0.04 0.61 -0.09 -0.07 0.00 0.00 0.00 179.25 179.66 1v3r h LEU 20 N 0.97 0.99 -0.73 0.00 3.38 -0.65 -2.00 115.31 117.27 1v3r h LEU 20 Ca 0.21 -0.34 -0.10 0.00 0.09 0.00 0.00 57.88 57.74 1v3r h LEU 20 Cb 0.29 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.75 1v3r h LEU 20 CO -0.01 1.10 -0.08 -0.26 0.09 0.00 0.00 178.44 179.28 1v3r h PHE 21 N 0.86 0.97 0.00 1.13 0.04 -1.03 0.38 116.94 119.30 1v3r h PHE 21 Ca 0.14 -0.18 -0.04 0.00 2.80 0.00 0.00 57.97 60.69 1v3r h PHE 21 Cb 0.65 -0.25 -0.01 0.00 2.20 0.00 0.00 35.95 38.54 1v3r h PHE 21 CO 0.05 0.92 -0.21 0.37 -0.60 0.00 0.00 178.31 178.84 1v3r h GLN 22 N 0.80 0.00 -0.28 1.51 4.15 -1.20 -1.38 115.11 118.73 1v3r h GLN 22 Ca 0.14 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.56 1v3r h GLN 22 Cb 0.59 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.28 1v3r h GLN 22 CO 0.04 0.21 0.00 0.00 -1.93 0.00 0.00 178.83 177.15 1v3r n ALA 23 N -2.25 2.46 -1.19 3.38 0.00 -0.71 -4.89 120.51 117.30 1v3r n ALA 23 Ca -0.01 -0.49 -0.07 0.00 0.00 0.00 0.00 53.44 52.87 1v3r n ALA 23 Cb 0.38 -0.99 -0.03 0.00 0.00 0.00 0.00 19.45 18.81 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 0.32 -0.68 -2.81 0.00 1.02 -0.52 -4.94 120.64 113.02 1v3r n GLU 24 Ca 0.10 0.66 -0.38 0.00 -0.02 0.00 0.00 57.16 57.52 1v3r n GLU 24 Cb 0.24 -4.48 -0.06 0.00 -0.02 0.00 0.00 31.44 27.12 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 -2.14 4.21 0.00 2.62 1.01 0.04 -4.99 120.40 121.15 1v3r s VAL 25 Ca 0.00 1.85 0.00 0.00 0.00 0.00 0.00 61.98 63.83 1v3r s VAL 25 Cb 0.00 -4.10 0.00 0.00 0.00 0.00 0.00 36.38 32.28 1v3r s VAL 25 CO 0.00 0.28 0.00 0.54 0.00 0.00 0.00 175.10 175.92 1v3r n ARG 26 N 0.91 0.00 -2.21 2.72 5.12 -1.26 -4.17 116.66 117.76 1v3r n ARG 26 Ca -0.00 0.00 -0.41 0.00 -1.93 0.00 0.00 57.85 55.51 1v3r n ARG 26 Cb 0.49 0.00 -0.03 0.00 -1.16 0.00 0.00 32.46 31.76 1v3r n ARG 26 CO 0.00 0.00 0.00 0.20 -1.93 0.00 0.00 177.63 175.90 1v3r s GLY 27 N -1.22 2.70 0.17 -0.13 0.00 -1.26 -5.00 107.32 102.58 1v3r s GLY 27 Ca 0.00 1.13 -0.24 0.00 0.00 0.00 0.00 44.72 45.61 1v3r s GLY 27 CO 0.00 1.95 0.95 0.48 0.00 0.00 0.00 173.10 176.48 1v3r s LEU 28 N -0.83 -0.17 0.10 0.66 0.05 -1.26 -4.50 118.68 112.74 1v3r s LEU 28 Ca 0.53 -0.44 0.02 0.00 0.05 0.00 0.00 54.13 54.28 1v3r s LEU 28 Cb -0.37 2.20 -0.04 0.00 -2.05 0.00 0.00 46.19 45.93 1v3r s LEU 28 CO 0.43 -0.95 -0.07 0.42 -0.55 0.00 0.00 176.35 175.63 1v3r s THR 29 N -3.25 0.76 0.09 5.48 -4.23 -0.96 -5.01 115.64 108.53 1v3r s THR 29 Ca 0.13 -1.88 -0.14 0.00 -1.18 0.00 0.00 61.69 58.61 1v3r s THR 29 Cb -0.02 -1.62 0.02 0.00 1.34 0.00 0.00 72.50 72.23 1v3r s THR 29 CO 0.03 -0.81 0.33 -1.48 -0.54 0.00 0.00 174.62 172.16 1v3r s LEU 30 N -2.93 0.73 0.21 4.79 0.05 -1.26 -1.17 118.68 119.09 1v3r s LEU 30 Ca 0.11 -0.34 -0.19 0.00 0.05 0.00 0.00 54.13 53.75 1v3r s LEU 30 Cb 0.03 1.56 0.03 0.00 -2.05 0.00 0.00 46.19 45.76 1v3r s LEU 30 CO -0.03 -0.76 0.59 -0.94 -0.55 0.00 0.00 176.35 174.65 1v3r s SER 31 N -2.61 -0.32 -0.02 1.48 1.04 -0.80 -4.98 113.70 107.48 1v3r s SER 31 Ca 0.01 -0.42 -0.15 0.00 0.48 0.00 0.00 55.95 55.87 1v3r s SER 31 Cb 0.02 0.62 -0.05 0.00 0.10 0.00 0.00 66.02 66.71 1v3r s SER 31 CO -0.09 -1.11 0.39 -0.13 0.98 0.00 0.00 173.24 173.28 1v3r s ARG 32 N -3.86 3.94 0.17 4.02 1.81 -1.26 -0.03 118.95 123.74 1v3r s ARG 32 Ca 0.08 0.37 0.01 0.00 -1.72 0.00 0.00 55.73 54.48 1v3r s ARG 32 Cb -0.02 -3.24 -0.05 0.00 -0.45 0.00 0.00 34.95 31.19 1v3r s ARG 32 CO -0.02 0.64 0.02 0.14 -0.68 0.00 0.00 175.30 175.39 1v3r s VAL 33 N -0.89 0.58 -0.18 3.52 -7.23 -0.29 -4.92 120.40 110.99 1v3r s VAL 33 Ca 0.23 -1.97 -0.05 0.00 -1.81 0.00 0.00 61.98 58.38 1v3r s VAL 33 Cb -0.16 -2.14 -0.03 0.00 0.56 0.00 0.00 36.38 34.61 1v3r s VAL 33 CO 0.12 -0.44 0.01 -1.10 -0.31 0.00 0.00 175.10 173.38 1v3r s GLN 34 N -3.94 3.74 0.28 4.82 -1.52 -1.26 -0.74 119.66 121.04 1v3r s GLN 34 Ca 0.25 -0.47 0.02 0.00 -1.95 0.00 0.00 55.36 53.21 1v3r s GLN 34 Cb 0.06 -3.07 -0.04 0.00 -0.22 0.00 0.00 33.01 29.74 1v3r s GLN 34 CO 0.04 0.16 0.13 0.20 -0.25 0.00 0.00 175.29 175.57 1v3r s GLY 35 N 0.62 1.92 0.00 3.09 0.00 0.87 -4.87 107.32 108.95 1v3r s GLY 35 Ca -0.00 -1.79 0.00 0.00 0.00 0.00 0.00 44.72 42.93 1v3r s GLY 35 CO 0.02 -1.59 0.00 1.57 0.00 0.00 0.00 173.10 173.10 1v3r n HIS 36 N -0.53 0.00 -4.04 1.90 -0.00 -1.26 -0.36 115.22 110.93 1v3r n HIS 36 Ca 0.00 0.00 -0.31 0.00 0.46 0.00 0.00 57.72 57.87 1v3r n HIS 36 Cb 0.66 0.00 -0.05 0.00 -0.12 0.00 0.00 29.99 30.48 1v3r n HIS 36 CO 0.00 0.00 0.00 0.39 0.46 0.00 0.00 176.34 177.19 1v3r n GLU 54 N 0.00 -0.73 -3.93 1.57 1.02 -1.26 -5.08 120.64 112.23 1v3r n GLU 54 Ca 0.00 0.04 -0.27 0.00 -0.02 0.00 0.00 57.16 56.90 1v3r n GLU 54 Cb 0.00 -2.63 -0.03 0.00 -0.02 0.00 0.00 31.44 28.75 1v3r n GLU 54 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1v3r s LEU 55 N -6.86 4.34 0.04 -4.62 1.43 -1.26 -5.12 118.68 106.63 1v3r s LEU 55 Ca 0.15 0.21 0.04 0.00 -1.03 0.00 0.00 54.13 53.49 1v3r s LEU 55 Cb -0.08 -2.93 -0.02 0.00 0.03 0.00 0.00 46.19 43.18 1v3r s LEU 55 CO 0.84 0.08 -0.12 -1.00 0.23 0.00 0.00 176.35 176.37 1v3r s HIS 56 N -1.69 1.07 0.35 0.29 3.76 0.52 -4.88 115.29 114.71 1v3r s HIS 56 Ca 0.35 -0.36 -0.27 0.00 -0.15 0.00 0.00 55.06 54.62 1v3r s HIS 56 Cb -0.12 -0.63 -0.09 0.00 1.11 0.00 0.00 32.58 32.85 1v3r s HIS 56 CO 0.28 0.01 1.17 -2.00 -0.85 0.00 0.00 174.74 173.36 1v3r s GLU 57 N -1.18 4.32 0.11 1.40 2.12 -1.26 -0.09 118.70 124.11 1v3r s GLU 57 Ca -0.01 1.90 -0.00 0.00 0.36 0.00 0.00 54.97 57.22 1v3r s GLU 57 Cb -0.08 -2.92 -0.04 0.00 0.26 0.00 0.00 34.13 31.35 1v3r s GLU 57 CO 0.01 -0.11 0.01 0.15 -0.54 0.00 0.00 175.26 174.78 1v3r s LYS 58 N -1.92 0.83 -0.15 4.30 -0.14 0.08 -4.51 119.74 118.23 1v3r s LYS 58 Ca 0.51 -1.37 -0.03 0.00 -1.36 0.00 0.00 55.97 53.73 1v3r s LYS 58 Cb -0.33 0.14 -0.02 0.00 -1.68 0.00 0.00 37.83 35.94 1v3r s LYS 58 CO 0.42 -0.18 -0.07 0.08 -0.76 0.00 0.00 175.35 174.85 1v3r s VAL 59 N -3.93 3.60 -0.31 3.17 1.01 0.21 -1.13 120.40 123.02 1v3r s VAL 59 Ca 0.17 -0.46 -0.08 0.00 0.00 0.00 0.00 61.98 61.61 1v3r s VAL 59 Cb 0.07 -2.56 0.01 0.00 0.00 0.00 0.00 36.38 33.90 1v3r s VAL 59 CO -0.02 0.50 0.12 -0.60 0.00 0.00 0.00 175.10 175.10 1v3r s ARG 60 N 0.40 3.15 -0.04 2.72 3.52 0.96 -1.09 118.95 128.57 1v3r s ARG 60 Ca -0.06 -0.83 -0.06 0.00 -0.13 0.00 0.00 55.73 54.65 1v3r s ARG 60 Cb -0.15 -3.48 -0.04 0.00 -1.56 0.00 0.00 34.95 29.72 1v3r s ARG 60 CO 0.04 -0.46 0.20 -0.51 -0.81 0.00 0.00 175.30 173.75 1v3r s LEU 61 N 1.55 4.38 -0.17 -0.88 1.02 0.64 -1.90 118.68 123.32 1v3r s LEU 61 Ca 0.03 0.47 -0.00 0.00 0.02 0.00 0.00 54.13 54.65 1v3r s LEU 61 Cb -0.17 -2.43 0.04 0.00 0.02 0.00 0.00 46.19 43.65 1v3r s LEU 61 CO 0.04 0.32 -0.06 -0.70 0.02 0.00 0.00 176.35 175.97 1v3r s GLU 62 N -1.53 1.52 -0.12 1.70 2.12 -0.32 -1.23 118.70 120.84 1v3r s GLU 62 Ca 0.23 -0.54 0.00 0.00 0.36 0.00 0.00 54.97 55.02 1v3r s GLU 62 Cb -0.13 -2.03 0.02 0.00 0.26 0.00 0.00 34.13 32.25 1v3r s GLU 62 CO 0.13 -0.42 -0.11 0.42 -0.54 0.00 0.00 175.26 174.73 1v3r s ILE 63 N 1.61 1.29 -0.09 -3.70 1.01 0.11 -2.25 121.20 119.18 1v3r s ILE 63 Ca 0.01 -0.47 -0.21 0.00 0.00 0.00 0.00 60.65 59.98 1v3r s ILE 63 Cb -0.15 -1.24 -0.04 0.00 0.01 0.00 0.00 42.46 41.04 1v3r s ILE 63 CO -0.08 0.41 0.59 -0.83 0.00 0.00 0.00 174.94 175.03 1v3r s GLY 64 N 1.46 2.51 0.03 6.18 0.00 -1.26 0.40 107.32 116.65 1v3r s GLY 64 Ca 0.02 -0.03 -0.00 0.00 0.00 0.00 0.00 44.72 44.72 1v3r s GLY 64 CO -0.07 0.97 -0.04 -1.34 0.00 0.00 0.00 173.10 172.62 1v3r s VAL 65 N 0.68 0.20 0.70 1.40 -7.23 -0.62 -4.97 120.40 110.57 1v3r s VAL 65 Ca 0.32 -1.20 -0.11 0.00 -1.81 0.00 0.00 61.98 59.18 1v3r s VAL 65 Cb -0.16 -0.67 0.01 0.00 0.56 0.00 0.00 36.38 36.12 1v3r s VAL 65 CO 0.14 -0.63 1.10 -0.94 -0.31 0.00 0.00 175.10 174.46 1v3r s SER 66 N -1.91 5.46 0.28 4.85 1.04 -1.26 -1.13 113.70 121.03 1v3r s SER 66 Ca -0.09 1.13 0.01 0.00 0.48 0.00 0.00 55.95 57.48 1v3r s SER 66 Cb -0.05 -1.93 0.55 0.00 0.10 0.00 0.00 66.02 64.69 1v3r s SER 66 CO -0.03 -1.33 1.82 -0.33 0.98 0.00 0.00 173.24 174.34 1v3r h GLU 67 N -0.65 0.89 0.00 4.02 4.39 -1.97 -1.20 114.58 120.06 1v3r h GLU 67 Ca -0.45 -0.05 -0.00 0.00 0.34 0.00 0.00 59.36 59.19 1v3r h GLU 67 Cb 1.25 -0.20 -0.00 0.00 -0.10 0.00 0.00 28.75 29.70 1v3r h GLU 67 CO 0.64 0.59 -0.02 -1.35 -1.16 0.00 0.00 179.01 177.70 1v3r h PRO 68 N 0.92 0.00 -0.00 2.33 0.11 -2.04 -2.69 132.00 130.62 1v3r h PRO 68 Ca 0.49 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.60 1v3r h PRO 68 Cb 0.53 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.64 1v3r h PRO 68 CO -0.28 0.02 -0.61 1.19 -0.21 0.00 0.00 178.00 178.10 1v3r n PHE 69 N -3.19 0.00 0.21 0.65 3.01 -0.47 -4.47 117.46 113.20 1v3r n PHE 69 Ca -0.01 0.00 -0.15 0.00 1.01 0.00 0.00 57.45 58.29 1v3r n PHE 69 Cb 0.18 -0.10 -0.07 0.00 -0.01 0.00 0.00 39.48 39.48 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 0.69 0.37 -0.27 -4.37 2.07 -1.34 -1.02 116.25 112.38 1v3r h VAL 70 Ca 0.00 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.53 1v3r h VAL 70 Cb 0.55 0.37 -0.02 0.00 -1.52 0.00 0.00 31.29 30.67 1v3r h VAL 70 CO 0.00 0.00 0.14 0.11 0.02 0.00 0.00 177.57 177.84 1v3r h LYS 71 N -0.66 0.29 -0.62 1.57 1.57 -1.78 -0.96 116.57 115.98 1v3r h LYS 71 Ca -0.02 -0.02 -0.03 0.00 -1.87 0.00 0.00 60.65 58.71 1v3r h LYS 71 Cb 0.59 -0.07 -0.03 0.00 0.08 0.00 0.00 32.23 32.80 1v3r h LYS 71 CO -0.04 0.19 0.28 -1.35 -0.57 0.00 0.00 179.45 177.97 1v3r h PRO 72 N 0.30 0.89 -0.15 3.15 0.11 -1.78 -0.06 132.00 134.47 1v3r h PRO 72 Ca 0.11 -0.12 -0.05 0.00 0.11 0.00 0.00 66.00 66.05 1v3r h PRO 72 Cb 0.01 -0.16 -0.00 0.00 0.11 0.00 0.00 31.00 30.95 1v3r h PRO 72 CO -0.06 0.70 -0.09 1.15 -0.21 0.00 0.00 178.00 179.50 1v3r h THR 73 N 0.88 1.32 -0.31 -1.15 2.02 -0.85 -1.77 112.91 113.07 1v3r h THR 73 Ca 0.22 -1.16 -0.00 0.00 0.77 0.00 0.00 66.41 66.23 1v3r h THR 73 Cb 0.12 1.78 -0.01 0.00 -1.74 0.00 0.00 68.15 68.29 1v3r h THR 73 CO -0.03 0.34 0.18 0.58 0.37 0.00 0.00 175.52 176.96 1v3r h VAL 74 N -0.03 1.12 -0.70 3.16 2.07 -1.02 -2.41 116.25 118.43 1v3r h VAL 74 Ca 0.03 -0.30 0.04 0.00 0.82 0.00 0.00 66.70 67.30 1v3r h VAL 74 Cb 0.57 0.76 -0.05 0.00 -1.52 0.00 0.00 31.29 31.05 1v3r h VAL 74 CO 0.02 0.12 0.42 -0.08 0.02 0.00 0.00 177.57 178.07 1v3r h GLU 75 N 0.39 0.78 -0.38 1.57 4.57 -0.97 -0.85 114.58 119.68 1v3r h GLU 75 Ca 0.11 -0.05 0.00 0.00 -1.18 0.00 0.00 59.36 58.24 1v3r h GLU 75 Cb 0.04 -0.18 -0.02 0.00 -0.16 0.00 0.00 28.75 28.43 1v3r h GLU 75 CO -0.02 0.51 0.24 0.00 -1.18 0.00 0.00 179.01 178.56 1v3r h ALA 76 N 1.32 0.48 -0.33 2.92 0.00 -1.08 -1.25 119.26 121.32 1v3r h ALA 76 Ca 0.29 -0.04 -0.08 0.00 0.00 0.00 0.00 54.91 55.09 1v3r h ALA 76 Cb 0.09 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 1v3r h ALA 76 CO -0.14 -0.04 -0.10 0.82 0.00 0.00 0.00 179.25 179.79 1v3r h ILE 77 N 0.50 1.28 -1.00 0.00 2.04 -1.20 -1.97 117.51 117.16 1v3r h ILE 77 Ca 0.14 -1.16 0.01 0.00 1.00 0.00 0.00 64.86 64.85 1v3r h ILE 77 Cb -0.03 1.36 -0.05 0.00 -0.74 0.00 0.00 36.82 37.36 1v3r h ILE 77 CO -0.03 0.38 0.66 -0.07 0.00 0.00 0.00 178.15 179.10 1v3r h LEU 78 N 0.42 1.14 -0.06 1.44 3.38 -0.98 0.92 115.31 121.58 1v3r h LEU 78 Ca 0.08 -0.03 -0.19 0.00 0.09 0.00 0.00 57.88 57.84 1v3r h LEU 78 Cb 0.60 -0.28 0.01 0.00 0.09 0.00 0.00 40.66 41.08 1v3r h LEU 78 CO 0.04 0.82 -0.70 0.50 0.09 0.00 0.00 178.44 179.19 1v3r h LYS 79 N 1.35 0.58 0.00 1.13 3.64 -1.20 -3.32 116.57 118.74 1v3r h LYS 79 Ca 0.37 -0.54 -0.19 0.00 -1.27 0.00 0.00 60.65 59.02 1v3r h LYS 79 Cb -0.13 0.14 -0.03 0.00 -0.41 0.00 0.00 32.23 31.80 1v3r h LYS 79 CO -0.09 1.16 -0.91 0.00 -2.27 0.00 0.00 179.45 177.35 1v3r h ALA 80 N 0.42 0.47 0.00 5.00 0.00 -1.11 -3.35 119.26 120.69 1v3r h ALA 80 Ca -0.07 -0.83 0.00 0.00 0.00 0.00 0.00 54.91 54.01 1v3r h ALA 80 Cb 1.36 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 19.01 1v3r h ALA 80 CO 0.14 1.14 -0.51 0.00 0.00 0.00 0.00 179.25 180.02 1v3r n ALA 81 N -2.35 3.41 -1.98 0.00 0.00 0.30 -4.65 120.51 115.23 1v3r n ALA 81 Ca -0.00 -0.33 -0.41 0.00 0.00 0.00 0.00 53.44 52.70 1v3r n ALA 81 Cb 0.88 -1.14 -0.03 0.00 0.00 0.00 0.00 19.45 19.15 1v3r n ALA 81 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 1v3r s ARG 82 N -3.03 4.51 0.00 0.00 3.52 -1.25 -4.81 118.95 117.89 1v3r s ARG 82 Ca 0.10 1.89 0.00 0.00 -0.13 0.00 0.00 55.73 57.59 1v3r s ARG 82 Cb 0.17 -3.22 0.00 0.00 -1.56 0.00 0.00 34.95 30.34 1v3r s ARG 82 CO 0.70 -0.04 0.00 0.25 -0.81 0.00 0.00 175.30 175.40 1v3r n THR 83 N 2.15 0.00 0.00 4.11 -2.24 -1.26 -5.03 114.28 112.02 1v3r n THR 83 Ca 0.03 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.81 1v3r n THR 83 Cb 0.44 0.36 0.00 0.00 -2.10 0.00 0.00 70.33 69.03 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 1.84 1.44 3.90 3.38 0.00 -1.26 -5.05 105.19 109.44 1v3r n GLY 84 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.71 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 -0.65 3.64 0.23 1.61 0.41 -1.26 -5.04 118.70 117.65 1v3r s GLU 85 Ca 0.00 -0.04 -0.31 0.00 -0.41 0.00 0.00 54.97 54.21 1v3r s GLU 85 Cb 0.00 -2.79 -0.14 0.00 -1.78 0.00 0.00 34.13 29.42 1v3r s GLU 85 CO 0.00 0.41 1.31 0.28 -0.49 0.00 0.00 175.26 176.76 1v3r n VAL 86 N -0.14 1.06 0.00 2.63 0.31 -1.26 -2.92 118.33 118.02 1v3r n VAL 86 Ca -0.02 -0.27 0.00 0.00 -0.01 0.00 0.00 64.34 64.04 1v3r n VAL 86 Cb 0.52 -1.27 0.00 0.00 -0.91 0.00 0.00 33.84 32.18 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 1.98 1.05 0.27 2.92 0.00 -1.26 -4.99 105.19 105.15 1v3r n GLY 87 Ca 0.12 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.27 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 -4.87 1.61 3.32 -1.90 -3.43 116.42 111.15 1v3r h ASP 88 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1v3r h ASP 88 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 1v3r h ASP 88 CO 0.00 0.11 0.00 0.61 -1.72 0.00 0.00 179.24 178.24 1v3r n GLY 89 N -0.72 -0.89 3.37 2.75 0.00 -1.26 -4.19 105.19 104.26 1v3r n GLY 89 Ca -0.02 -2.16 -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 0.00 1.19 -0.10 1.61 1.02 -1.02 -4.98 119.74 117.45 1v3r s LYS 90 Ca 0.00 -1.10 0.01 0.00 0.02 0.00 0.00 55.97 54.90 1v3r s LYS 90 Cb 0.00 0.40 0.02 0.00 -0.52 0.00 0.00 37.83 37.73 1v3r s LYS 90 CO 0.00 -0.45 -0.12 0.42 -0.92 0.00 0.00 175.35 174.28 1v3r s ILE 91 N -3.94 1.28 -0.16 2.17 1.01 -1.26 -1.00 121.20 119.30 1v3r s ILE 91 Ca 0.15 -0.50 -0.03 0.00 0.00 0.00 0.00 60.65 60.27 1v3r s ILE 91 Cb 0.03 -1.20 -0.02 0.00 0.01 0.00 0.00 42.46 41.27 1v3r s ILE 91 CO -0.01 0.40 -0.07 -0.36 0.00 0.00 0.00 174.94 174.90 1v3r s PHE 92 N 1.13 2.95 -0.38 3.97 0.40 0.13 -4.98 117.98 121.20 1v3r s PHE 92 Ca -0.05 -0.52 -0.09 0.00 -0.60 0.00 0.00 56.93 55.67 1v3r s PHE 92 Cb -0.14 -1.95 0.04 0.00 0.51 0.00 0.00 43.02 41.48 1v3r s PHE 92 CO -0.03 -0.18 0.19 0.08 0.70 0.00 0.00 175.22 175.98 1v3r s VAL 93 N 0.57 4.30 -0.11 -0.44 1.01 -1.26 -0.71 120.40 123.75 1v3r s VAL 93 Ca -0.05 -1.06 -0.05 0.00 0.00 0.00 0.00 61.98 60.83 1v3r s VAL 93 Cb -0.15 -3.46 -0.04 0.00 0.00 0.00 0.00 36.38 32.73 1v3r s VAL 93 CO 0.03 -0.29 0.08 -0.76 0.00 0.00 0.00 175.10 174.16 1v3r s LEU 94 N 1.49 4.03 0.44 3.92 1.43 -0.15 -4.92 118.68 124.92 1v3r s LEU 94 Ca 0.01 0.32 -0.24 0.00 -1.03 0.00 0.00 54.13 53.19 1v3r s LEU 94 Cb -0.20 -1.96 -0.08 0.00 0.03 0.00 0.00 46.19 43.98 1v3r s LEU 94 CO 0.05 0.38 1.24 -2.84 0.23 0.00 0.00 176.35 175.42 1v3r s PRO 95 N -0.90 3.80 -0.09 1.29 0.02 -1.26 -0.26 135.00 137.59 1v3r s PRO 95 Ca 0.14 1.99 0.02 0.00 0.02 0.00 0.00 61.00 63.17 1v3r s PRO 95 Cb -0.12 -2.56 0.01 0.00 0.02 0.00 0.00 34.50 31.85 1v3r s PRO 95 CO 0.03 -0.58 -0.14 0.08 -0.33 0.00 0.00 177.00 176.06 1v3r s VAL 96 N -1.38 1.38 0.03 3.83 1.01 -1.19 -4.73 120.40 119.35 1v3r s VAL 96 Ca 0.61 -0.59 -0.20 0.00 0.00 0.00 0.00 61.98 61.81 1v3r s VAL 96 Cb -0.34 -1.27 -0.17 0.00 0.00 0.00 0.00 36.38 34.60 1v3r s VAL 96 CO 0.42 0.42 1.25 -0.08 0.00 0.00 0.00 175.10 177.11 1v3r h GLU 97 N 7.30 0.40 -2.33 2.72 4.81 -1.94 -3.42 114.58 122.12 1v3r h GLU 97 Ca -0.30 -0.28 -0.02 0.00 -0.13 0.00 0.00 59.36 58.63 1v3r h GLU 97 Cb 1.18 0.04 -0.17 0.00 0.63 0.00 0.00 28.75 30.44 1v3r h GLU 97 CO 0.48 0.89 0.26 -1.59 -0.73 0.00 0.00 179.01 178.32 1v3r s LYS 98 N -3.87 1.07 0.00 1.92 -2.85 -1.26 -4.66 119.74 110.09 1v3r s LYS 98 Ca -0.14 -0.06 0.02 0.00 -1.00 0.00 0.00 55.97 54.80 1v3r s LYS 98 Cb 0.05 0.50 -0.01 0.00 -2.06 0.00 0.00 37.83 36.31 1v3r s LYS 98 CO 0.78 -0.40 -0.07 0.54 0.10 0.00 0.00 175.35 176.30 1v3r s VAL 99 N -2.25 0.57 -0.01 1.79 0.11 -0.13 -4.98 120.40 115.51 1v3r s VAL 99 Ca -0.04 -0.44 0.08 0.00 -2.93 0.00 0.00 61.98 58.65 1v3r s VAL 99 Cb -0.00 -0.51 -0.02 0.00 -1.53 0.00 0.00 36.38 34.32 1v3r s VAL 99 CO -0.01 0.07 -0.25 -0.31 -3.33 0.00 0.00 175.10 171.28 1v3r s TYR 100 N -0.36 2.37 -0.23 1.54 1.51 -1.26 -0.85 117.35 120.06 1v3r s TYR 100 Ca 0.01 -0.41 -0.14 0.00 -1.01 0.00 0.00 57.07 55.52 1v3r s TYR 100 Cb -0.04 -1.49 -0.04 0.00 -0.11 0.00 0.00 41.96 40.28 1v3r s TYR 100 CO -0.00 0.02 0.32 0.50 -1.11 0.00 0.00 175.55 175.28 1v3r s ARG 101 N -0.75 4.09 0.20 -0.62 3.52 -0.41 -4.98 118.95 120.00 1v3r s ARG 101 Ca 0.11 0.01 -0.09 0.00 -0.13 0.00 0.00 55.73 55.62 1v3r s ARG 101 Cb -0.10 -3.58 0.14 0.00 -1.56 0.00 0.00 34.95 29.85 1v3r s ARG 101 CO -0.00 -0.09 1.78 0.82 -0.81 0.00 0.00 175.30 177.00 1v3r h ILE 102 N 5.14 1.24 -0.17 4.11 2.04 -1.96 0.16 117.51 128.08 1v3r h ILE 102 Ca -0.35 -0.70 -0.01 0.00 1.00 0.00 0.00 64.86 64.80 1v3r h ILE 102 Cb 1.17 0.34 -0.01 0.00 -0.74 0.00 0.00 36.82 37.58 1v3r h ILE 102 CO 0.67 0.29 0.09 -0.09 0.00 0.00 0.00 178.15 179.11 1v3r h ARG 103 N 1.04 0.24 0.00 2.37 2.43 -1.98 -3.26 114.38 115.22 1v3r h ARG 103 Ca 0.25 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.39 1v3r h ARG 103 Cb 0.14 -0.04 0.00 0.00 -0.42 0.00 0.00 29.97 29.65 1v3r h ARG 103 CO -0.03 0.27 -1.26 0.25 -1.51 0.00 0.00 179.97 177.69 1v3r n THR 104 N -4.90 0.19 -1.16 0.20 -2.24 -1.22 -4.97 114.28 100.19 1v3r n THR 104 Ca -0.04 -0.34 -0.05 0.00 -2.27 0.00 0.00 64.05 61.34 1v3r n THR 104 Cb 0.09 0.12 -0.02 0.00 -2.10 0.00 0.00 70.33 68.41 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 1.32 0.77 3.76 3.38 0.00 0.57 -4.99 105.19 110.00 1v3r n GLY 105 Ca 0.00 -0.43 -0.39 0.00 0.00 0.00 0.00 46.02 45.21 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 -2.02 4.75 -0.05 1.61 2.02 -1.23 -4.83 118.70 118.95 1v3r s GLU 106 Ca 0.00 1.43 0.06 0.00 0.02 0.00 0.00 54.97 56.48 1v3r s GLU 106 Cb 0.00 -3.10 -0.01 0.00 0.10 0.00 0.00 34.13 31.12 1v3r s GLU 106 CO 0.00 0.43 -0.25 -2.00 0.02 0.00 0.00 175.26 173.46 1v3r s GLU 107 N -1.51 2.45 0.04 1.61 2.12 -1.26 -1.28 118.70 120.86 1v3r s GLU 107 Ca 0.44 -0.91 0.07 0.00 0.36 0.00 0.00 54.97 54.94 1v3r s GLU 107 Cb -0.23 -2.14 -0.02 0.00 0.26 0.00 0.00 34.13 31.99 1v3r s GLU 107 CO 0.29 0.43 -0.21 -0.51 -0.54 0.00 0.00 175.26 174.72 1v3r s ASP 108 N -0.28 2.45 0.00 -1.70 1.01 -0.03 -4.97 116.67 113.15 1v3r s ASP 108 Ca -0.00 -0.50 0.00 0.00 0.71 0.00 0.00 52.55 52.76 1v3r s ASP 108 Cb -0.13 -0.21 0.00 0.00 1.01 0.00 0.00 42.92 43.59 1v3r s ASP 108 CO 0.03 0.17 0.16 -0.62 0.21 0.00 0.00 175.17 175.12