#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3d3r h PHE -2 N 0.00 0.00 -0.15 2.98 -0.00 -2.01 -0.33 116.94 117.44 3d3r h PHE -2 Ca 0.00 0.00 0.04 0.00 -0.00 0.00 0.00 57.97 58.01 3d3r h PHE -2 Cb 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 35.95 35.94 3d3r h PHE -2 CO 0.00 0.00 0.15 0.37 -0.00 0.00 0.00 178.31 178.83 3d3r h GLN -1 N 0.00 0.00 -2.45 6.09 5.75 -2.01 -3.35 115.11 119.15 3d3r h GLN -1 Ca 0.00 0.00 -0.04 0.00 -0.15 0.00 0.00 58.65 58.46 3d3r h GLN -1 Cb 0.36 0.00 -0.02 0.00 1.07 0.00 0.00 27.48 28.89 3d3r h GLN -1 CO 0.00 0.00 0.13 0.41 -2.65 0.00 0.00 178.83 176.72 3d3r n GLY 0 N -1.41 1.52 0.93 2.39 0.00 -0.14 -4.67 105.19 103.82 3d3r n GLY 0 Ca 0.01 -0.28 -0.11 0.00 0.00 0.00 0.00 46.02 45.63 3d3r n GLY 0 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3d3r s LEU 3 N 2.49 3.26 0.39 0.00 1.43 -1.26 -5.08 118.68 119.90 3d3r s LEU 3 Ca 0.12 -0.24 -0.26 0.00 -1.03 0.00 0.00 54.13 52.72 3d3r s LEU 3 Cb -0.03 -1.85 -0.09 0.00 0.03 0.00 0.00 46.19 44.25 3d3r s LEU 3 CO 0.24 0.01 1.25 -0.44 0.23 0.00 0.00 176.35 177.64 3d3r s SER 4 N 1.33 6.50 -0.22 2.29 0.01 -1.26 -4.97 113.70 117.38 3d3r s SER 4 Ca 0.04 2.53 -0.11 0.00 1.31 0.00 0.00 55.95 59.73 3d3r s SER 4 Cb -0.15 -2.63 -0.05 0.00 0.21 0.00 0.00 66.02 63.40 3d3r s SER 4 CO 0.01 -0.71 0.16 -0.63 0.41 0.00 0.00 173.24 172.49 3d3r s ILE 5 N -1.29 5.37 0.19 1.44 1.01 -1.26 -4.95 121.20 121.71 3d3r s ILE 5 Ca 0.55 0.23 -0.33 0.00 0.00 0.00 0.00 60.65 61.10 3d3r s ILE 5 Cb -0.35 -3.50 -0.13 0.00 0.01 0.00 0.00 42.46 38.48 3d3r s ILE 5 CO 0.46 0.39 1.64 -2.65 0.00 0.00 0.00 174.94 174.78 3d3r n PRO 6 N 3.90 2.47 -4.59 2.79 -0.02 -1.26 -4.71 135.00 133.58 3d3r n PRO 6 Ca -0.15 0.89 -0.24 0.00 -2.02 0.00 0.00 63.50 61.98 3d3r n PRO 6 Cb 0.52 -2.69 -0.16 0.00 -0.02 0.00 0.00 33.50 31.14 3d3r n PRO 6 CO 0.00 0.00 0.00 -1.12 1.98 0.00 0.00 175.50 176.36 3d3r s SER 7 N 1.00 1.74 0.03 2.55 0.01 -0.46 -4.69 113.70 113.89 3d3r s SER 7 Ca 0.76 -0.29 -0.20 0.00 1.31 0.00 0.00 55.95 57.53 3d3r s SER 7 Cb -0.59 -0.71 -0.06 0.00 0.21 0.00 0.00 66.02 64.87 3d3r s SER 7 CO 0.36 0.06 0.59 -1.58 0.41 0.00 0.00 173.24 173.08 3d3r s GLN 8 N 0.49 4.28 -0.29 12.44 0.74 -0.43 -0.89 119.66 136.01 3d3r s GLN 8 Ca -0.11 0.76 -0.29 0.00 0.05 0.00 0.00 55.36 55.77 3d3r s GLN 8 Cb -0.14 -3.30 0.00 0.00 1.10 0.00 0.00 33.01 30.68 3d3r s GLN 8 CO 0.03 0.49 1.27 0.08 -0.55 0.00 0.00 175.29 176.60 3d3r s VAL 9 N -0.60 4.21 -0.39 1.34 1.01 0.24 -0.81 120.40 125.39 3d3r s VAL 9 Ca 0.30 1.38 0.07 0.00 0.00 0.00 0.00 61.98 63.73 3d3r s VAL 9 Cb -0.19 -4.17 -0.06 0.00 0.00 0.00 0.00 36.38 31.96 3d3r s VAL 9 CO 0.18 -0.44 0.34 1.33 0.00 0.00 0.00 175.10 176.51 3d3r n VAL 10 N 6.07 0.00 -3.59 2.92 0.24 -0.34 0.09 118.33 123.72 3d3r n VAL 10 Ca 0.14 -0.36 -0.15 0.00 -2.04 0.00 0.00 64.34 61.93 3d3r n VAL 10 Cb 0.46 1.02 -0.06 0.00 -1.47 0.00 0.00 33.84 33.79 3d3r n VAL 10 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3d3r s ALA 11 N -1.52 -1.39 -0.04 2.33 0.00 -1.19 -4.95 121.76 115.00 3d3r s ALA 11 Ca 0.03 0.82 -0.01 0.00 0.00 0.00 0.00 51.96 52.80 3d3r s ALA 11 Cb 0.05 0.18 0.03 0.00 0.00 0.00 0.00 23.12 23.38 3d3r s ALA 11 CO 0.26 -0.41 0.03 0.08 0.00 0.00 0.00 175.76 175.72 3d3r s VAL 12 N -1.75 0.04 -0.40 0.00 1.01 -1.26 -1.40 120.40 116.64 3d3r s VAL 12 Ca -0.09 0.27 0.03 0.00 0.00 0.00 0.00 61.98 62.19 3d3r s VAL 12 Cb -0.01 -0.23 0.11 0.00 0.00 0.00 0.00 36.38 36.25 3d3r s VAL 12 CO 0.04 0.17 0.13 -0.62 0.00 0.00 0.00 175.10 174.82 3d3r s ASP 13 N 1.69 4.73 0.12 3.32 -1.08 -0.26 -4.98 116.67 120.21 3d3r s ASP 13 Ca -0.01 -2.38 0.26 0.00 -0.52 0.00 0.00 52.55 49.90 3d3r s ASP 13 Cb -0.13 -1.66 0.97 0.00 -1.46 0.00 0.00 42.92 40.64 3d3r s ASP 13 CO -0.03 -0.36 1.79 0.59 0.52 0.00 0.00 175.17 177.68 3d3r n ASN 14 N 3.98 0.41 0.12 -0.34 3.02 -1.26 -0.92 115.26 120.27 3d3r n ASN 14 Ca 0.04 0.55 -0.19 0.00 -0.03 0.00 0.00 54.58 54.95 3d3r n ASN 14 Cb 0.39 -0.66 -0.14 0.00 -0.61 0.00 0.00 39.78 38.76 3d3r n ASN 14 CO 0.00 0.00 0.00 -0.33 -2.62 0.00 0.00 177.26 174.31 3d3r h GLU 15 N 0.00 0.37 0.00 3.52 4.39 -1.94 -3.20 114.58 117.71 3d3r h GLU 15 Ca 0.00 -0.62 0.00 0.00 0.34 0.00 0.00 59.36 59.08 3d3r h GLU 15 Cb 0.55 0.23 0.00 0.00 -0.10 0.00 0.00 28.75 29.43 3d3r h GLU 15 CO 0.00 1.30 -0.30 -2.13 -1.16 0.00 0.00 179.01 176.72 3d3r n ARG 16 N -3.60 0.17 -3.79 2.33 0.63 -1.17 -4.96 116.66 106.27 3d3r n ARG 16 Ca -0.11 0.09 -0.27 0.00 -0.92 0.00 0.00 57.85 56.64 3d3r n ARG 16 Cb 1.05 -1.65 0.02 0.00 0.45 0.00 0.00 32.46 32.33 3d3r n ARG 16 CO 0.00 0.00 0.00 1.04 -2.51 0.00 0.00 177.63 176.16 3d3r n GLN 17 N -1.92 -2.78 -4.23 -0.14 1.13 -0.09 -4.91 117.38 104.43 3d3r n GLN 17 Ca 0.05 0.47 -0.13 0.00 -1.94 0.00 0.00 57.00 55.44 3d3r n GLN 17 Cb 0.40 -4.50 -0.10 0.00 0.11 0.00 0.00 30.24 26.15 3d3r n GLN 17 CO 0.00 0.00 0.00 -1.54 -1.44 0.00 0.00 177.06 174.08 3d3r s SER 18 N -4.01 1.64 0.18 1.08 1.04 -0.71 -1.08 113.70 111.83 3d3r s SER 18 Ca 0.19 -1.02 0.07 0.00 0.48 0.00 0.00 55.95 55.67 3d3r s SER 18 Cb -0.07 0.02 -0.04 0.00 0.10 0.00 0.00 66.02 66.02 3d3r s SER 18 CO 0.86 -0.37 -0.13 0.68 0.98 0.00 0.00 173.24 175.26 3d3r s VAL 19 N -3.40 1.53 -0.07 5.02 -7.23 -0.06 -1.10 120.40 115.09 3d3r s VAL 19 Ca 0.16 -2.09 0.02 0.00 -1.81 0.00 0.00 61.98 58.25 3d3r s VAL 19 Cb 0.03 -1.91 -0.03 0.00 0.56 0.00 0.00 36.38 35.03 3d3r s VAL 19 CO -0.00 -0.60 -0.09 -0.89 -0.31 0.00 0.00 175.10 173.20 3d3r s THR 20 N -2.92 3.50 -0.07 5.32 2.01 -0.49 -0.50 115.64 122.49 3d3r s THR 20 Ca 0.19 -0.55 0.01 0.00 0.31 0.00 0.00 61.69 61.65 3d3r s THR 20 Cb -0.01 -2.42 0.02 0.00 0.01 0.00 0.00 72.50 70.10 3d3r s THR 20 CO 0.05 0.59 -0.09 -0.69 -0.69 0.00 0.00 174.62 173.79 3d3r s VAL 21 N -0.73 0.93 -0.20 3.82 1.01 0.04 -1.20 120.40 124.07 3d3r s VAL 21 Ca 0.11 -0.32 -0.08 0.00 0.00 0.00 0.00 61.98 61.69 3d3r s VAL 21 Cb -0.11 -0.90 -0.04 0.00 0.00 0.00 0.00 36.38 35.33 3d3r s VAL 21 CO 0.01 0.32 0.09 -0.62 0.00 0.00 0.00 175.10 174.91 3d3r s ASP 22 N 1.03 5.82 -0.28 3.32 2.15 0.01 -1.88 116.67 126.85 3d3r s ASP 22 Ca -0.08 0.11 0.02 0.00 0.43 0.00 0.00 52.55 53.03 3d3r s ASP 22 Cb -0.15 -2.01 0.08 0.00 -0.30 0.00 0.00 42.92 40.54 3d3r s ASP 22 CO -0.00 0.15 -0.01 -0.89 -0.17 0.00 0.00 175.17 174.25 3d3r s THR 23 N 0.51 1.72 -1.65 1.71 2.01 -0.04 -1.31 115.64 118.59 3d3r s THR 23 Ca 0.05 -1.62 -0.12 0.00 0.31 0.00 0.00 61.69 60.31 3d3r s THR 23 Cb -0.12 -2.09 0.11 0.00 0.01 0.00 0.00 72.50 70.41 3d3r s THR 23 CO 0.00 -0.32 0.48 0.18 -0.69 0.00 0.00 174.62 174.27 3d3r n LEU 24 N 4.55 -1.42 0.00 4.42 4.77 -1.26 -1.27 117.00 126.79 3d3r n LEU 24 Ca -0.06 -1.13 0.00 0.00 -0.03 0.00 0.00 56.01 54.78 3d3r n LEU 24 Cb 0.43 -1.88 0.00 0.00 -2.33 0.00 0.00 43.42 39.64 3d3r n LEU 24 CO 0.18 0.32 0.00 0.61 -1.33 0.00 0.00 177.39 177.17 3d3r n GLY 25 N -1.72 0.74 3.58 -0.72 0.00 -1.26 -5.06 105.19 100.75 3d3r n GLY 25 Ca -0.09 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.58 3d3r n GLY 25 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3d3r s VAL 26 N -2.20 4.66 -0.11 1.61 1.01 -0.40 -5.08 120.40 119.89 3d3r s VAL 26 Ca 0.00 -0.07 -0.05 0.00 0.00 0.00 0.00 61.98 61.86 3d3r s VAL 26 Cb 0.00 -3.12 -0.04 0.00 0.00 0.00 0.00 36.38 33.22 3d3r s VAL 26 CO 0.00 0.42 0.08 -0.13 0.00 0.00 0.00 175.10 175.47 3d3r s ARG 27 N 0.75 3.32 0.00 2.72 0.52 -1.26 -0.86 118.95 124.14 3d3r s ARG 27 Ca 0.03 -0.26 0.01 0.00 -0.52 0.00 0.00 55.73 55.00 3d3r s ARG 27 Cb -0.13 -3.04 -0.01 0.00 0.52 0.00 0.00 34.95 32.29 3d3r s ARG 27 CO 0.02 0.70 -0.05 1.03 0.02 0.00 0.00 175.30 177.02 3d3r s ARG 28 N -0.84 0.39 0.01 3.54 0.52 -0.79 -4.96 118.95 116.82 3d3r s ARG 28 Ca 0.13 -0.26 -0.21 0.00 -0.52 0.00 0.00 55.73 54.87 3d3r s ARG 28 Cb -0.12 -0.33 -0.06 0.00 0.52 0.00 0.00 34.95 34.97 3d3r s ARG 28 CO 0.03 0.08 0.60 -0.51 0.02 0.00 0.00 175.30 175.53 3d3r s ASP 29 N -0.37 7.01 0.02 0.23 1.01 -1.26 -0.78 116.67 122.53 3d3r s ASP 29 Ca -0.01 1.20 0.04 0.00 0.71 0.00 0.00 52.55 54.49 3d3r s ASP 29 Cb -0.03 -2.37 -0.02 0.00 1.01 0.00 0.00 42.92 41.51 3d3r s ASP 29 CO -0.00 0.12 -0.11 -0.69 0.21 0.00 0.00 175.17 174.70 3d3r s VAL 30 N -0.31 0.84 0.23 -1.27 1.01 0.35 -4.97 120.40 116.27 3d3r s VAL 30 Ca 0.31 -0.74 -0.32 0.00 0.00 0.00 0.00 61.98 61.23 3d3r s VAL 30 Cb -0.19 -0.76 -0.12 0.00 0.00 0.00 0.00 36.38 35.31 3d3r s VAL 30 CO 0.18 0.03 1.65 -0.24 0.00 0.00 0.00 175.10 176.72 3d3r n SER 31 N 2.24 3.79 0.33 3.32 2.88 -1.26 -0.88 113.62 124.03 3d3r n SER 31 Ca -0.17 1.09 0.22 0.00 -1.33 0.00 0.00 58.87 58.68 3d3r n SER 31 Cb 0.56 -1.56 1.10 0.00 -0.75 0.00 0.00 64.21 63.56 3d3r n SER 31 CO 0.00 0.00 0.00 0.28 -1.23 0.00 0.00 175.04 174.09 3d3r h SER 32 N 5.95 0.00 0.63 -3.46 0.02 -1.41 -2.09 113.55 113.19 3d3r h SER 32 Ca -0.45 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.50 3d3r h SER 32 Cb 1.22 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.76 3d3r h SER 32 CO 0.89 0.00 0.00 1.41 -1.14 0.00 0.00 176.83 177.99 3d3r n HIS 33 N -3.09 0.64 -2.81 3.45 8.25 -1.26 -4.91 115.22 115.48 3d3r n HIS 33 Ca -0.02 0.26 -0.43 0.00 -0.26 0.00 0.00 57.72 57.27 3d3r n HIS 33 Cb 0.12 -0.92 -0.03 0.00 1.12 0.00 0.00 29.99 30.29 3d3r n HIS 33 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 3d3r s LEU 34 N -4.18 4.55 0.00 2.41 1.43 -0.79 -5.10 118.68 117.00 3d3r s LEU 34 Ca 0.04 -1.78 0.00 0.00 -1.03 0.00 0.00 54.13 51.36 3d3r s LEU 34 Cb 0.09 -2.45 0.00 0.00 0.03 0.00 0.00 46.19 43.86 3d3r s LEU 34 CO 0.35 -1.23 0.00 0.35 0.23 0.00 0.00 176.35 176.05 3d3r n THR 36 N 5.93 0.00 -3.97 5.49 -2.24 -1.26 -5.12 114.28 113.11 3d3r n THR 36 Ca 0.24 0.00 -0.10 0.00 -2.27 0.00 0.00 64.05 61.93 3d3r n THR 36 Cb 0.49 0.07 -0.07 0.00 -2.10 0.00 0.00 70.33 68.73 3d3r n THR 36 CO 0.00 0.00 0.00 -1.83 -0.57 0.00 0.00 175.07 172.67 3d3r s GLU 37 N -0.48 1.22 0.03 -0.78 -1.05 -1.26 -5.13 118.70 111.26 3d3r s GLU 37 Ca 0.00 -1.19 -0.34 0.00 -0.15 0.00 0.00 54.97 53.29 3d3r s GLU 37 Cb 0.00 0.39 -0.13 0.00 -0.44 0.00 0.00 34.13 33.95 3d3r s GLU 37 CO 0.00 -0.46 1.74 -0.35 0.95 0.00 0.00 175.26 177.15 3d3r n PRO 38 N -0.24 2.19 -4.21 -4.83 -0.04 -1.26 -5.00 135.00 121.62 3d3r n PRO 38 Ca -0.06 0.80 -0.30 0.00 -0.04 0.00 0.00 63.50 63.90 3d3r n PRO 38 Cb 0.63 -2.61 -0.09 0.00 -0.04 0.00 0.00 33.50 31.38 3d3r n PRO 38 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 3d3r s LEU 39 N 2.59 3.13 0.26 1.53 1.43 -1.26 -5.15 118.68 121.21 3d3r s LEU 39 Ca 0.86 -0.34 0.05 0.00 -1.03 0.00 0.00 54.13 53.67 3d3r s LEU 39 Cb -0.68 -1.91 -0.06 0.00 0.03 0.00 0.00 46.19 43.58 3d3r s LEU 39 CO 0.45 0.18 -0.03 0.00 0.23 0.00 0.00 176.35 177.17 3d3r s ALA 40 N -1.24 2.14 0.23 4.21 0.00 -1.26 -5.08 121.76 120.77 3d3r s ALA 40 Ca 0.22 -1.85 -0.30 0.00 0.00 0.00 0.00 51.96 50.03 3d3r s ALA 40 Cb -0.11 0.31 -0.15 0.00 0.00 0.00 0.00 23.12 23.17 3d3r s ALA 40 CO 0.15 -0.15 1.08 1.51 0.00 0.00 0.00 175.76 178.35 3d3r n ILE 41 N -0.52 1.47 0.00 0.00 0.13 -1.26 -1.73 119.36 117.44 3d3r n ILE 41 Ca -0.05 -0.37 0.00 0.00 -1.10 0.00 0.00 62.75 61.23 3d3r n ILE 41 Cb 0.64 -0.92 0.00 0.00 -0.84 0.00 0.00 39.64 38.52 3d3r n ILE 41 CO 0.00 0.00 0.00 0.61 2.80 0.00 0.00 176.55 179.96 3d3r n GLY 42 N 1.64 2.58 3.77 4.50 0.00 0.11 -4.99 105.19 112.81 3d3r n GLY 42 Ca 0.12 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.83 3d3r n GLY 42 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3d3r s ASP 43 N -2.37 4.72 -0.00 1.61 1.01 -0.71 -4.71 116.67 116.22 3d3r s ASP 43 Ca 0.00 1.84 0.03 0.00 0.71 0.00 0.00 52.55 55.14 3d3r s ASP 43 Cb 0.00 -2.53 -0.03 0.00 1.01 0.00 0.00 42.92 41.37 3d3r s ASP 43 CO 0.00 -1.89 -0.08 -0.31 0.21 0.00 0.00 175.17 173.10 3d3r s TYR 44 N -2.79 2.86 0.14 4.23 2.02 -1.26 -0.60 117.35 121.96 3d3r s TYR 44 Ca 0.62 -0.06 0.06 0.00 -0.37 0.00 0.00 57.07 57.32 3d3r s TYR 44 Cb -0.18 -1.60 -0.04 0.00 -0.40 0.00 0.00 41.96 39.74 3d3r s TYR 44 CO 0.53 0.35 -0.13 0.14 -1.57 0.00 0.00 175.55 174.87 3d3r s VAL 45 N -0.97 1.37 -0.07 0.71 -7.23 -0.07 -4.91 120.40 109.23 3d3r s VAL 45 Ca 0.16 -1.91 0.04 0.00 -1.81 0.00 0.00 61.98 58.46 3d3r s VAL 45 Cb -0.11 -1.72 0.00 0.00 0.56 0.00 0.00 36.38 35.12 3d3r s VAL 45 CO 0.07 -0.54 -0.18 -0.76 -0.31 0.00 0.00 175.10 173.38 3d3r s LEU 46 N -2.81 1.88 0.61 1.32 1.43 -1.26 -1.35 118.68 118.50 3d3r s LEU 46 Ca 0.14 -0.42 -0.12 0.00 -1.03 0.00 0.00 54.13 52.70 3d3r s LEU 46 Cb -0.02 -1.10 -0.04 0.00 0.03 0.00 0.00 46.19 45.06 3d3r s LEU 46 CO 0.03 0.12 1.03 0.27 0.23 0.00 0.00 176.35 178.02 3d3r s ILE 47 N 0.37 4.58 -0.20 -0.59 -4.36 -1.26 -5.05 121.20 114.70 3d3r s ILE 47 Ca -0.13 0.90 0.01 0.00 -0.26 0.00 0.00 60.65 61.16 3d3r s ILE 47 Cb -0.16 -3.78 0.05 0.00 1.25 0.00 0.00 42.46 39.82 3d3r s ILE 47 CO 0.05 -1.04 -0.09 -2.28 0.24 0.00 0.00 174.94 171.83 3d3r s HIS 48 N -3.07 2.31 0.11 1.37 5.65 -1.26 -4.77 115.29 115.64 3d3r s HIS 48 Ca 0.56 -1.55 -0.06 0.00 0.25 0.00 0.00 55.06 54.26 3d3r s HIS 48 Cb -0.11 -1.58 -0.06 0.00 -1.18 0.00 0.00 32.58 29.65 3d3r s HIS 48 CO 0.51 -0.73 0.37 0.42 -0.65 0.00 0.00 174.74 174.66 3d3r s ILE 49 N 1.43 5.16 -1.83 0.89 1.09 -1.26 -5.07 121.20 121.61 3d3r s ILE 49 Ca -0.02 0.18 0.00 0.00 -1.10 0.00 0.00 60.65 59.71 3d3r s ILE 49 Cb -0.16 -3.62 0.00 0.00 -1.06 0.00 0.00 42.46 37.61 3d3r s ILE 49 CO -0.08 0.14 0.00 0.61 -0.10 0.00 0.00 174.94 175.51 3d3r n GLY 50 N 0.43 -1.00 3.60 6.18 0.00 -1.26 -4.19 105.19 108.95 3d3r n GLY 50 Ca -0.05 -0.89 -0.41 0.00 0.00 0.00 0.00 46.02 44.67 3d3r n GLY 50 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3d3r s PHE 51 N -3.00 3.21 0.00 1.61 0.08 -1.26 -5.12 117.98 113.50 3d3r s PHE 51 Ca 0.00 0.62 0.00 0.00 0.12 0.00 0.00 56.93 57.67 3d3r s PHE 51 Cb 0.00 -3.04 0.00 0.00 -0.57 0.00 0.00 43.02 39.41 3d3r s PHE 51 CO 0.00 -0.50 0.00 0.28 -0.10 0.00 0.00 175.22 174.90 3d3r n VAL 52 N 5.43 0.00 -3.46 -0.44 0.31 -1.26 -5.22 118.33 113.69 3d3r n VAL 52 Ca -0.00 0.00 0.02 0.00 -0.01 0.00 0.00 64.34 64.34 3d3r n VAL 52 Cb 0.49 -1.75 -0.05 0.00 -0.91 0.00 0.00 33.84 31.62 3d3r n VAL 52 CO 0.00 0.00 0.00 0.20 -1.32 0.00 0.00 176.83 175.71 3d3r s ASN 54 N -1.00 -0.28 0.25 4.52 0.01 -1.26 -5.28 114.94 111.90 3d3r s ASN 54 Ca 0.00 0.41 -0.30 0.00 -0.71 0.00 0.00 52.86 52.26 3d3r s ASN 54 Cb 0.00 1.23 -0.09 0.00 0.41 0.00 0.00 41.25 42.80 3d3r s ASN 54 CO 0.00 -0.06 1.04 -0.75 -1.51 0.00 0.00 177.10 175.82 3d3r s LYS 55 N 1.73 4.71 0.23 -0.60 2.20 -1.26 -5.03 119.74 121.72 3d3r s LYS 55 Ca -0.04 1.67 0.06 0.00 -0.36 0.00 0.00 55.97 57.30 3d3r s LYS 55 Cb -0.03 -3.24 -0.05 0.00 -1.51 0.00 0.00 37.83 33.00 3d3r s LYS 55 CO -0.14 0.30 -0.08 0.96 -0.36 0.00 0.00 175.35 176.02 3d3r s ILE 56 N -0.99 1.46 0.25 5.43 -4.36 -1.26 -5.11 121.20 116.61 3d3r s ILE 56 Ca 0.44 -2.12 -0.31 0.00 -0.26 0.00 0.00 60.65 58.41 3d3r s ILE 56 Cb -0.29 -2.22 -0.11 0.00 1.25 0.00 0.00 42.46 41.09 3d3r s ILE 56 CO 0.37 -0.46 1.58 -0.62 0.24 0.00 0.00 174.94 176.05 3d3r s ASP 57 N -3.33 6.46 0.18 4.36 2.15 -1.26 -4.87 116.67 120.37 3d3r s ASP 57 Ca 0.25 2.82 -0.14 0.00 0.43 0.00 0.00 52.55 55.92 3d3r s ASP 57 Cb 0.03 -2.62 0.17 0.00 -0.30 0.00 0.00 42.92 40.20 3d3r s ASP 57 CO 0.08 -0.87 1.68 -0.09 -0.17 0.00 0.00 175.17 175.80 3d3r h ARG 58 N 5.59 0.10 -0.46 4.34 2.43 -1.99 -1.23 114.38 123.16 3d3r h ARG 58 Ca -0.45 -0.01 -0.10 0.00 -0.81 0.00 0.00 59.98 58.61 3d3r h ARG 58 Cb 1.21 -0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 30.73 3d3r h ARG 58 CO 0.84 0.06 -0.10 -0.91 -1.51 0.00 0.00 179.97 178.36 3d3r h ASN 59 N 0.10 0.88 -0.41 -3.80 2.35 -1.99 0.94 115.58 113.65 3d3r h ASN 59 Ca 0.24 -0.36 0.01 0.00 -0.55 0.00 0.00 56.30 55.64 3d3r h ASN 59 Cb 0.36 -0.24 -0.02 0.00 0.05 0.00 0.00 38.32 38.47 3d3r h ASN 59 CO -0.41 1.03 0.26 0.44 -1.65 0.00 0.00 177.43 177.10 3d3r h ASP 60 N 0.71 0.44 -0.03 5.81 3.32 -1.84 -1.14 116.42 123.68 3d3r h ASP 60 Ca 0.12 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.16 3d3r h ASP 60 Cb 0.64 -0.10 -0.00 0.00 0.22 0.00 0.00 39.33 40.08 3d3r h ASP 60 CO 0.04 0.32 0.01 0.00 -1.72 0.00 0.00 179.24 177.89 3d3r h ALA 61 N 1.16 0.04 -0.63 3.45 0.00 -0.89 -0.97 119.26 121.41 3d3r h ALA 61 Ca 0.15 0.00 -0.09 0.00 0.00 0.00 0.00 54.91 54.97 3d3r h ALA 61 Cb -0.04 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 3d3r h ALA 61 CO -0.05 -0.47 0.04 -0.07 0.00 0.00 0.00 179.25 178.70 3d3r h LEU 62 N 0.03 1.06 -0.23 0.00 3.38 -0.60 -0.88 115.31 118.07 3d3r h LEU 62 Ca 0.01 -0.29 -0.04 0.00 0.09 0.00 0.00 57.88 57.66 3d3r h LEU 62 Cb 0.01 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.46 3d3r h LEU 62 CO -0.01 1.09 0.00 1.56 0.09 0.00 0.00 178.44 181.17 3d3r h GLN 63 N 1.00 0.40 -0.60 1.13 4.20 -1.15 -3.10 115.11 117.00 3d3r h GLN 63 Ca 0.18 -0.13 0.00 0.00 0.06 0.00 0.00 58.65 58.77 3d3r h GLN 63 Cb 0.52 -0.04 -0.03 0.00 0.30 0.00 0.00 27.48 28.24 3d3r h GLN 63 CO 0.03 0.59 0.38 0.66 -0.67 0.00 0.00 178.83 179.81 3d3r h SER 64 N 0.17 0.70 -0.01 1.46 4.64 -0.98 -3.07 113.55 116.48 3d3r h SER 64 Ca 0.06 -0.03 0.00 0.00 -0.47 0.00 0.00 61.79 61.36 3d3r h SER 64 Cb 0.40 -0.18 -0.00 0.00 -0.31 0.00 0.00 62.40 62.32 3d3r h SER 64 CO 0.01 0.53 0.01 -0.07 -0.87 0.00 0.00 176.83 176.44 3d3r h LEU 65 N 0.82 0.00 -1.00 5.97 3.38 -1.08 -0.90 115.31 122.51 3d3r h LEU 65 Ca 0.22 0.00 0.04 0.00 0.09 0.00 0.00 57.88 58.23 3d3r h LEU 65 Cb -0.06 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 40.63 3d3r h LEU 65 CO -0.04 0.00 0.65 -0.08 0.09 0.00 0.00 178.44 179.06 3d3r h GLU 66 N 0.00 1.21 -0.16 1.13 4.81 -1.64 -0.10 114.58 119.83 3d3r h GLU 66 Ca 0.00 -0.07 -0.06 0.00 -0.13 0.00 0.00 59.36 59.11 3d3r h GLU 66 Cb 0.02 -0.27 -0.00 0.00 0.63 0.00 0.00 28.75 29.13 3d3r h GLU 66 CO -0.00 0.80 -0.12 -0.07 -0.73 0.00 0.00 179.01 178.89 3d3r h LEU 67 N 1.25 0.38 -0.53 1.64 3.38 -1.36 -1.16 115.31 118.91 3d3r h LEU 67 Ca 0.40 -0.45 0.06 0.00 0.09 0.00 0.00 57.88 57.99 3d3r h LEU 67 Cb 0.03 -0.11 -0.05 0.00 0.09 0.00 0.00 40.66 40.62 3d3r h LEU 67 CO -0.13 0.75 0.23 1.88 0.09 0.00 0.00 178.44 181.25 3d3r h TYR 68 N 0.02 0.41 -0.80 1.13 0.05 -1.17 -1.38 116.97 115.23 3d3r h TYR 68 Ca 0.03 0.02 0.12 0.00 0.05 0.00 0.00 58.73 58.95 3d3r h TYR 68 Cb 0.63 -0.11 -0.08 0.00 1.01 0.00 0.00 36.73 38.18 3d3r h TYR 68 CO 0.08 0.16 0.41 1.96 -1.05 0.00 0.00 178.16 179.72 3d3r h GLN 69 N 0.44 0.63 -0.41 4.88 4.20 -0.93 -0.97 115.11 122.94 3d3r h GLN 69 Ca 0.25 -0.04 -0.05 0.00 0.06 0.00 0.00 58.65 58.87 3d3r h GLN 69 Cb 0.22 -0.14 -0.02 0.00 0.30 0.00 0.00 27.48 27.84 3d3r h GLN 69 CO -0.21 0.42 0.07 1.49 -0.67 0.00 0.00 178.83 179.92 3d3r h GLU 70 N 0.65 0.68 -0.45 1.46 4.81 -0.79 -1.64 114.58 119.30 3d3r h GLU 70 Ca 0.41 -0.18 -0.02 0.00 -0.13 0.00 0.00 59.36 59.44 3d3r h GLU 70 Cb 0.50 -0.08 -0.02 0.00 0.63 0.00 0.00 28.75 29.77 3d3r h GLU 70 CO -0.31 0.72 0.21 0.82 -0.73 0.00 0.00 179.01 179.73 3d3r h ILE 71 N 0.54 1.18 -0.56 2.32 2.04 -0.66 -2.66 117.51 119.71 3d3r h ILE 71 Ca 0.13 -0.52 -0.01 0.00 1.00 0.00 0.00 64.86 65.45 3d3r h ILE 71 Cb 0.37 0.70 -0.03 0.00 -0.74 0.00 0.00 36.82 37.13 3d3r h ILE 71 CO 0.01 0.20 0.29 0.58 0.00 0.00 0.00 178.15 179.23 3d3r h VAL 72 N 0.58 1.19 0.00 1.67 2.07 -1.07 0.36 116.25 121.04 3d3r h VAL 72 Ca 0.15 -0.51 -0.00 0.00 0.82 0.00 0.00 66.70 67.16 3d3r h VAL 72 Cb 0.12 0.51 -0.00 0.00 -1.52 0.00 0.00 31.29 30.40 3d3r h VAL 72 CO -0.02 0.21 -0.00 0.28 0.02 0.00 0.00 177.57 178.06 3d3r h SER 73 N 0.75 0.00 0.05 0.57 0.02 -1.19 -0.44 113.55 113.31 3d3r h SER 73 Ca 0.19 0.00 -0.30 0.00 -0.84 0.00 0.00 61.79 60.84 3d3r h SER 73 Cb 0.07 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 62.59 3d3r h SER 73 CO -0.03 0.00 -1.66 1.17 -1.14 0.00 0.00 176.83 175.17 3d3r n LYS 74 N -4.21 0.65 -0.01 3.45 4.81 -0.42 -4.64 118.16 117.79 3d3r n LYS 74 Ca -0.03 0.42 -0.01 0.00 -0.87 0.00 0.00 58.31 57.82 3d3r n LYS 74 Cb 0.09 -1.72 -0.00 0.00 0.02 0.00 0.00 35.03 33.42 3d3r n LYS 74 CO 0.00 0.00 0.00 -0.07 1.17 0.00 0.00 177.40 178.50 3d3r h LEU 75 N -0.52 -0.03 0.00 3.14 3.38 -0.27 -3.51 115.31 117.49 3d3r h LEU 75 Ca -0.40 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.57 3d3r h LEU 75 Cb 1.64 0.01 0.00 0.00 0.09 0.00 0.00 40.66 42.40 3d3r h LEU 75 CO -0.09 0.23 0.00 -0.62 0.09 0.00 0.00 178.44 178.05