#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1tvs n GLU 2 N 0.00 -2.19 -1.28 3.23 -0.58 -1.26 -4.92 120.64 113.65 1tvs n GLU 2 Ca 0.00 1.93 -0.32 0.00 -0.42 0.00 0.00 57.16 58.34 1tvs n GLU 2 Cb 0.00 -5.06 0.08 0.00 -0.57 0.00 0.00 31.44 25.89 1tvs n GLU 2 CO 0.00 0.00 0.00 -3.47 -0.48 0.00 0.00 177.13 173.18 1tvs n ASP 3 N -0.49 7.31 -4.56 1.62 2.03 -1.26 -4.91 116.55 116.30 1tvs n ASP 3 Ca 0.07 -3.70 -0.35 0.00 0.52 0.00 0.00 54.79 51.32 1tvs n ASP 3 Cb 0.50 -0.98 -0.04 0.00 -0.72 0.00 0.00 41.12 39.89 1tvs n ASP 3 CO 0.00 0.00 0.00 -0.13 -1.92 0.00 0.00 177.20 175.15 1tvs s ARG 4 N -3.59 3.10 0.00 -0.67 0.52 -1.26 -4.74 118.95 112.30 1tvs s ARG 4 Ca 0.61 -0.64 0.09 0.00 -0.52 0.00 0.00 55.73 55.28 1tvs s ARG 4 Cb 0.48 -5.11 0.13 0.00 0.52 0.00 0.00 34.95 30.97 1tvs s ARG 4 CO -0.00 -2.70 0.93 0.54 0.02 0.00 0.00 175.30 174.08 1tvs n ARG 5 N 8.92 1.08 -2.94 3.54 1.74 -1.26 -4.60 116.66 123.14 1tvs n ARG 5 Ca 0.33 -1.34 -0.42 0.00 -0.77 0.00 0.00 57.85 55.65 1tvs n ARG 5 Cb 0.49 -1.20 -0.05 0.00 -1.02 0.00 0.00 32.46 30.68 1tvs n ARG 5 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 1tvs s ILE 6 N -0.86 4.70 0.19 0.55 1.01 -1.26 -4.98 121.20 120.55 1tvs s ILE 6 Ca 0.14 0.82 -0.31 0.00 0.00 0.00 0.00 60.65 61.30 1tvs s ILE 6 Cb 0.09 -4.25 -0.09 0.00 0.01 0.00 0.00 42.46 38.22 1tvs s ILE 6 CO 0.12 -0.51 1.40 -2.16 0.00 0.00 0.00 174.94 173.80 1tvs s PRO 7 N 3.18 4.31 0.00 2.79 0.04 -1.26 0.12 135.00 144.19 1tvs s PRO 7 Ca 0.32 2.17 0.00 0.00 0.04 0.00 0.00 61.00 63.53 1tvs s PRO 7 Cb -0.13 -3.18 0.00 0.00 0.04 0.00 0.00 34.50 31.24 1tvs s PRO 7 CO 0.18 -0.40 0.00 0.41 0.04 0.00 0.00 177.00 177.24 1tvs n GLY 8 N 2.80 0.80 0.00 0.56 0.00 -1.26 -4.78 105.19 103.31 1tvs n GLY 8 Ca 0.09 -0.66 0.00 0.00 0.00 0.00 0.00 46.02 45.45 1tvs n GLY 8 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 1tvs n THR 9 N -3.08 0.00 -0.03 2.61 5.66 -1.20 -4.93 114.28 113.31 1tvs n THR 9 Ca 0.00 0.00 -0.15 0.00 -3.05 0.00 0.00 64.05 60.85 1tvs n THR 9 Cb 0.30 0.00 -0.10 0.00 -1.55 0.00 0.00 70.33 68.98 1tvs n THR 9 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1tvs h ALA 10 N 0.00 0.08 -0.92 1.79 0.00 -0.62 0.71 119.26 120.30 1tvs h ALA 10 Ca 0.00 -0.43 -0.01 0.00 0.00 0.00 0.00 54.91 54.47 1tvs h ALA 10 Cb 0.00 -0.00 -0.04 0.00 0.00 0.00 0.00 17.79 17.75 1tvs h ALA 10 CO 0.00 0.10 0.52 0.93 0.00 0.00 0.00 179.25 180.80 1tvs h GLU 11 N -0.32 1.27 -0.42 0.00 3.07 -1.81 -1.18 114.58 115.18 1tvs h GLU 11 Ca -0.02 -0.14 -0.02 0.00 -0.50 0.00 0.00 59.36 58.68 1tvs h GLU 11 Cb 0.93 -0.25 -0.02 0.00 -0.84 0.00 0.00 28.75 28.56 1tvs h GLU 11 CO 0.05 0.92 0.18 1.49 -1.40 0.00 0.00 179.01 180.24 1tvs h GLU 12 N 1.28 0.63 -0.97 2.33 4.57 -1.89 -2.91 114.58 117.62 1tvs h GLU 12 Ca 0.33 -0.11 0.28 0.00 -1.18 0.00 0.00 59.36 58.68 1tvs h GLU 12 Cb -0.00 -0.10 -0.14 0.00 -0.16 0.00 0.00 28.75 28.34 1tvs h GLU 12 CO -0.06 0.57 0.50 -0.91 -1.18 0.00 0.00 179.01 177.94 1tvs h ASN 13 N 0.54 0.44 -0.16 1.04 2.35 0.17 0.77 115.58 120.74 1tvs h ASN 13 Ca 0.14 0.18 -0.04 0.00 -0.55 0.00 0.00 56.30 56.03 1tvs h ASN 13 Cb 0.17 0.14 -0.00 0.00 0.05 0.00 0.00 38.32 38.68 1tvs h ASN 13 CO -0.01 -0.08 -0.06 -0.07 -1.65 0.00 0.00 177.43 175.55 1tvs h LEU 14 N 0.36 0.34 -0.49 1.61 4.07 -1.30 -0.36 115.31 119.54 1tvs h LEU 14 Ca 0.67 -0.39 -0.03 0.00 0.08 0.00 0.00 57.88 58.21 1tvs h LEU 14 Cb 1.44 -0.09 -0.02 0.00 1.08 0.00 0.00 40.66 43.07 1tvs h LEU 14 CO -0.58 0.66 0.20 -0.61 -1.08 0.00 0.00 178.44 177.02 1tvs h GLN 15 N 0.02 0.73 -0.39 1.13 4.15 -0.61 -0.38 115.11 119.76 1tvs h GLN 15 Ca 0.04 -0.13 -0.03 0.00 0.77 0.00 0.00 58.65 59.30 1tvs h GLN 15 Cb 0.52 -0.12 -0.02 0.00 0.21 0.00 0.00 27.48 28.07 1tvs h GLN 15 CO 0.02 0.65 0.12 -0.22 -1.93 0.00 0.00 178.83 177.46 1tvs h LYS 16 N 0.65 0.56 -0.17 1.69 1.63 0.46 -2.06 116.57 119.34 1tvs h LYS 16 Ca 0.16 -0.09 -0.08 0.00 -0.85 0.00 0.00 60.65 59.80 1tvs h LYS 16 Cb 0.19 -0.10 -0.00 0.00 -0.60 0.00 0.00 32.23 31.71 1tvs h LYS 16 CO -0.01 0.50 -0.20 0.77 -3.45 0.00 0.00 179.45 177.06 1tvs h SER 17 N 0.56 0.47 -1.97 4.20 0.02 -0.54 -3.43 113.55 112.85 1tvs h SER 17 Ca 0.13 -0.49 -0.20 0.00 -0.84 0.00 0.00 61.79 60.38 1tvs h SER 17 Cb 0.18 -0.13 -0.31 0.00 0.14 0.00 0.00 62.40 62.28 1tvs h SER 17 CO -0.01 0.87 -0.53 -0.55 -1.14 0.00 0.00 176.83 175.47 1tvs s SER 18 N -6.25 0.62 -1.14 3.07 0.15 -0.20 -5.07 113.70 104.89 1tvs s SER 18 Ca -0.14 -0.10 -0.05 0.00 0.70 0.00 0.00 55.95 56.37 1tvs s SER 18 Cb 0.06 0.94 0.26 0.00 -1.71 0.00 0.00 66.02 65.57 1tvs s SER 18 CO 0.77 -0.33 1.73 0.61 1.20 0.00 0.00 173.24 177.22 1tvs n GLY 19 N 5.35 5.30 0.55 9.45 0.00 -0.81 -4.37 105.19 120.67 1tvs n GLY 19 Ca -0.03 -2.47 -0.06 0.00 0.00 0.00 0.00 46.02 43.46 1tvs n GLY 19 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1tvs n GLY 20 N 1.37 -0.29 3.57 -0.02 0.00 -1.26 -4.97 105.19 103.59 1tvs n GLY 20 Ca 0.37 -0.16 -0.41 0.00 0.00 0.00 0.00 46.02 45.82 1tvs n GLY 20 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1tvs s VAL 21 N -2.45 5.07 0.03 1.61 -7.23 -1.26 -4.98 120.40 111.19 1tvs s VAL 21 Ca -0.16 0.42 -0.20 0.00 -1.81 0.00 0.00 61.98 60.24 1tvs s VAL 21 Cb 0.03 -3.88 -0.17 0.00 0.56 0.00 0.00 36.38 32.92 1tvs s VAL 21 CO 0.23 -0.09 1.26 1.55 -0.31 0.00 0.00 175.10 177.74 1tvs h PRO 22 N 8.34 0.41 0.00 4.82 0.13 -1.97 -3.46 132.00 140.28 1tvs h PRO 22 Ca -0.29 -0.28 0.00 0.00 -0.87 0.00 0.00 66.00 64.56 1tvs h PRO 22 Cb 1.14 0.04 0.00 0.00 0.13 0.00 0.00 31.00 32.31 1tvs h PRO 22 CO 0.73 0.90 0.00 0.41 -0.23 0.00 0.00 178.00 179.81 1tvs n GLY 23 N 0.52 0.00 0.12 1.56 0.00 -1.26 -5.01 105.19 101.12 1tvs n GLY 23 Ca -0.07 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.05 1tvs n GLY 23 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1tvs n GLN 24 N 0.00 1.16 0.17 1.61 0.00 -1.26 -3.80 117.38 115.25 1tvs n GLN 24 Ca 0.00 -0.23 0.02 0.00 0.00 0.00 0.00 57.00 56.79 1tvs n GLN 24 Cb 0.00 -1.34 0.34 0.00 0.00 0.00 0.00 30.24 29.24 1tvs n GLN 24 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 177.06 176.09 1tvs h ASN 25 N 0.49 0.04 0.05 2.61 -0.73 -1.94 -2.63 115.58 113.46 1tvs h ASN 25 Ca 0.00 -0.02 0.00 0.00 1.87 0.00 0.00 56.30 58.15 1tvs h ASN 25 Cb 0.11 -0.01 0.00 0.00 0.27 0.00 0.00 38.32 38.68 1tvs h ASN 25 CO 0.00 0.40 -0.02 1.07 -0.37 0.00 0.00 177.43 178.51 1tvs n THR 26 N -4.10 0.00 -2.12 -3.57 5.66 -1.25 -4.92 114.28 103.98 1tvs n THR 26 Ca -0.02 -0.12 -0.00 0.00 -3.05 0.00 0.00 64.05 60.86 1tvs n THR 26 Cb 0.40 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.19 1tvs n THR 26 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1tvs n GLY 27 N 1.12 0.50 0.00 1.09 0.00 -0.99 -4.94 105.19 101.97 1tvs n GLY 27 Ca 0.20 -0.84 0.00 0.00 0.00 0.00 0.00 46.02 45.38 1tvs n GLY 27 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1tvs n GLY 28 N -0.89 0.72 2.82 -0.02 0.00 -1.26 -5.02 105.19 101.54 1tvs n GLY 28 Ca -0.00 0.36 0.00 0.00 0.00 0.00 0.00 46.02 46.38 1tvs n GLY 28 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1tvs n GLN 29 N 0.00 0.00 -0.02 1.61 10.64 -1.25 -4.61 117.38 123.75 1tvs n GLN 29 Ca 0.00 0.00 -0.05 0.00 -1.83 0.00 0.00 57.00 55.12 1tvs n GLN 29 Cb 0.00 -1.24 -0.02 0.00 -0.86 0.00 0.00 30.24 28.13 1tvs n GLN 29 CO 0.00 0.00 0.00 -0.85 -1.83 0.00 0.00 177.06 174.38 1tvs n GLU 30 N -2.00 0.09 0.00 2.61 -0.00 -1.26 -4.99 120.64 115.09 1tvs n GLU 30 Ca 0.00 0.04 0.00 0.00 -0.00 0.00 0.00 57.16 57.20 1tvs n GLU 30 Cb 0.00 -0.66 0.00 0.00 -0.00 0.00 0.00 31.44 30.78 1tvs n GLU 30 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1tvs n ALA 31 N -3.23 0.00 -1.22 -1.84 0.00 -1.26 -5.13 120.51 107.83 1tvs n ALA 31 Ca -0.08 0.00 0.16 0.00 0.00 0.00 0.00 53.44 53.51 1tvs n ALA 31 Cb 0.53 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.93 1tvs n ALA 31 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1tvs n ARG 32 N 0.00 -2.61 0.00 0.00 3.00 -1.26 -4.94 116.66 110.85 1tvs n ARG 32 Ca 0.00 1.92 0.00 0.00 -0.01 0.00 0.00 57.85 59.76 1tvs n ARG 32 Cb 0.00 -3.13 0.00 0.00 0.00 0.00 0.00 32.46 29.33 1tvs n ARG 32 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.63 177.28 1tvs n PRO 33 N -3.99 -0.01 -0.58 5.56 -0.04 -1.26 -4.90 135.00 129.78 1tvs n PRO 33 Ca -0.03 0.00 -0.02 0.00 -0.04 0.00 0.00 63.50 63.41 1tvs n PRO 33 Cb 0.57 0.00 -0.02 0.00 -0.04 0.00 0.00 33.50 34.01 1tvs n PRO 33 CO 0.00 0.00 0.00 0.27 -0.04 0.00 0.00 175.50 175.73 1tvs n ASN 34 N -2.25 5.39 0.00 3.54 6.94 -1.26 -4.73 115.26 122.88 1tvs n ASN 34 Ca 0.00 -2.45 0.00 0.00 -0.02 0.00 0.00 54.58 52.11 1tvs n ASN 34 Cb 0.00 -1.16 0.00 0.00 -2.36 0.00 0.00 39.78 36.26 1tvs n ASN 34 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1tvs n TYR 35 N 1.57 0.00 0.63 -2.53 0.18 -1.26 -2.50 117.16 113.25 1tvs n TYR 35 Ca 0.06 0.00 0.00 0.00 1.88 0.00 0.00 57.90 59.85 1tvs n TYR 35 Cb 0.55 0.00 0.03 0.00 -0.38 0.00 0.00 39.34 39.54 1tvs n TYR 35 CO 0.00 0.00 0.00 -2.39 -2.08 0.00 0.00 176.86 172.39 1tvs n HIS 36 N -0.06 0.00 -0.68 -3.48 1.44 -1.26 -4.80 115.22 106.37 1tvs n HIS 36 Ca 0.00 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.71 1tvs n HIS 36 Cb 0.00 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.11 1tvs n HIS 36 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1tvs h GLN 38 N 2.49 0.37 0.00 0.00 4.15 -1.87 0.12 115.11 120.37 1tvs h GLN 38 Ca 0.00 -0.41 -0.03 0.00 0.77 0.00 0.00 58.65 58.98 1tvs h GLN 38 Cb 0.00 0.12 -0.00 0.00 0.21 0.00 0.00 27.48 27.81 1tvs h GLN 38 CO 0.00 1.09 -0.16 -0.07 -1.93 0.00 0.00 178.83 177.76 1tvs h LEU 39 N -0.19 0.00 -0.42 -2.39 4.07 -1.85 0.27 115.31 114.81 1tvs h LEU 39 Ca -0.08 0.00 -0.17 0.00 0.08 0.00 0.00 57.88 57.71 1tvs h LEU 39 Cb 1.31 0.00 -0.02 0.00 1.08 0.00 0.00 40.66 43.03 1tvs h LEU 39 CO 0.11 0.16 -0.79 0.00 -1.08 0.00 0.00 178.44 176.84 1tvs h PHE 41 N 0.06 0.09 -0.18 0.00 3.57 0.13 -0.97 116.94 119.64 1tvs h PHE 41 Ca -0.02 -0.01 0.05 0.00 3.53 0.00 0.00 57.97 61.51 1tvs h PHE 41 Cb 1.38 -0.02 -0.01 0.00 2.79 0.00 0.00 35.95 40.09 1tvs h PHE 41 CO 0.01 0.34 0.13 -0.07 -2.23 0.00 0.00 178.31 176.50 1tvs h LEU 42 N -0.19 0.00 -1.19 0.59 4.07 -0.36 0.60 115.31 118.83 1tvs h LEU 42 Ca 0.01 0.00 -0.08 0.00 0.08 0.00 0.00 57.88 57.90 1tvs h LEU 42 Cb 0.30 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 42.03 1tvs h LEU 42 CO 0.00 0.00 -0.36 -0.09 -1.08 0.00 0.00 178.44 176.91 1tvs h ARG 43 N 0.00 0.00 -0.31 1.13 9.65 0.48 -3.36 114.38 121.96 1tvs h ARG 43 Ca 0.08 0.00 -0.22 0.00 -1.10 0.00 0.00 59.98 58.74 1tvs h ARG 43 Cb 0.34 0.00 -0.40 0.00 -1.39 0.00 0.00 29.97 28.53 1tvs h ARG 43 CO -0.00 0.36 -1.09 -1.13 2.80 0.00 0.00 179.97 180.91 1tvs n SER 44 N -3.78 1.43 -4.00 -3.80 3.41 0.80 -4.87 113.62 102.82 1tvs n SER 44 Ca -0.01 -2.03 -0.28 0.00 -0.26 0.00 0.00 58.87 56.28 1tvs n SER 44 Cb 0.44 -0.43 -0.11 0.00 -0.26 0.00 0.00 64.21 63.85 1tvs n SER 44 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1tvs n LEU 45 N -0.29 0.97 -0.42 1.04 4.32 0.17 -3.19 117.00 119.61 1tvs n LEU 45 Ca 0.07 -1.89 -0.05 0.00 -0.02 0.00 0.00 56.01 54.12 1tvs n LEU 45 Cb 0.90 -1.03 -0.02 0.00 -1.62 0.00 0.00 43.42 41.65 1tvs n LEU 45 CO 0.04 -2.70 -0.05 0.61 -1.22 0.00 0.00 177.39 174.08 1tvs n GLY 46 N 5.43 0.49 4.69 -0.72 0.00 -1.26 -2.81 105.19 111.00 1tvs n GLY 46 Ca 0.41 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.43 1tvs n GLY 46 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1tvs n ILE 47 N -1.96 0.00 0.22 -0.61 -0.00 -1.19 -4.57 119.36 111.25 1tvs n ILE 47 Ca -0.05 0.00 0.07 0.00 -0.00 0.00 0.00 62.75 62.77 1tvs n ILE 47 Cb 0.51 0.00 0.51 0.00 -0.00 0.00 0.00 39.64 40.66 1tvs n ILE 47 CO 0.00 0.00 0.00 -0.78 -0.00 0.00 0.00 176.55 175.77 1tvs h ASP 48 N 0.00 0.00 0.71 7.28 3.58 -1.93 0.17 116.42 126.24 1tvs h ASP 48 Ca 0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 1tvs h ASP 48 Cb 0.00 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.05 1tvs h ASP 48 CO 0.00 0.25 0.00 0.22 -2.88 0.00 0.00 179.24 176.83 1tvs h TYR 49 N 0.00 0.00 0.00 0.28 3.20 -1.77 0.10 116.97 118.79 1tvs h TYR 49 Ca -0.00 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.87 1tvs h TYR 49 Cb 0.55 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.82 1tvs h TYR 49 CO 0.00 0.00 -0.74 -0.07 -1.64 0.00 0.00 178.16 175.71 1tvs h LEU 50 N 0.00 0.00 -0.85 2.82 -0.00 -0.93 0.51 115.31 116.87 1tvs h LEU 50 Ca 0.00 -0.02 -0.12 0.00 -0.00 0.00 0.00 57.88 57.74 1tvs h LEU 50 Cb 0.36 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 41.01 1tvs h LEU 50 CO 0.00 0.01 -0.41 -0.78 -0.00 0.00 0.00 178.44 177.26 1tvs h ASP 51 N 0.00 0.37 0.32 -0.43 1.82 -0.92 -2.07 116.42 115.50 1tvs h ASP 51 Ca 0.00 -0.16 -0.01 0.00 -0.39 0.00 0.00 57.03 56.47 1tvs h ASP 51 Cb 0.97 -0.10 -0.00 0.00 0.68 0.00 0.00 39.33 40.88 1tvs h ASP 51 CO 0.00 0.74 -0.17 0.00 -1.61 0.00 0.00 179.24 178.20 1tvs h ALA 52 N 1.28 -0.45 -1.21 -0.78 0.00 0.93 0.97 119.26 120.00 1tvs h ALA 52 Ca 0.03 -0.09 0.35 0.00 0.00 0.00 0.00 54.91 55.19 1tvs h ALA 52 Cb 0.85 0.20 -0.06 0.00 0.00 0.00 0.00 17.79 18.77 1tvs h ALA 52 CO 0.07 -0.76 0.85 1.03 0.00 0.00 0.00 179.25 180.44 1tvs h SER 53 N -0.46 0.11 -0.46 0.00 0.87 0.57 -1.47 113.55 112.71 1tvs h SER 53 Ca -0.04 0.03 -0.34 0.00 -1.23 0.00 0.00 61.79 60.21 1tvs h SER 53 Cb 0.36 0.01 -0.34 0.00 -0.44 0.00 0.00 62.40 62.00 1tvs h SER 53 CO 0.05 0.01 -0.85 -0.11 -0.53 0.00 0.00 176.83 175.40 1tvs n LEU 54 N -4.29 3.36 0.06 2.23 7.94 -0.54 -4.87 117.00 120.89 1tvs n LEU 54 Ca 0.27 -3.93 0.04 0.00 -1.11 0.00 0.00 56.01 51.28 1tvs n LEU 54 Cb 1.23 -0.16 0.20 0.00 0.53 0.00 0.00 43.42 45.22 1tvs n LEU 54 CO 0.36 1.58 0.62 0.54 -1.11 0.00 0.00 177.39 179.38 1tvs n ARG 55 N -0.65 0.05 -0.32 1.96 5.12 0.32 -2.46 116.66 120.68 1tvs n ARG 55 Ca 0.27 0.52 0.09 0.00 -1.93 0.00 0.00 57.85 56.80 1tvs n ARG 55 Cb 0.89 -1.70 0.26 0.00 -1.16 0.00 0.00 32.46 30.75 1tvs n ARG 55 CO 0.00 0.00 0.00 0.87 -1.93 0.00 0.00 177.63 176.57 1tvs h LYS 56 N 0.00 0.68 -0.14 5.56 6.56 -1.85 0.46 116.57 127.84 1tvs h LYS 56 Ca 0.00 -0.04 -0.16 0.00 -1.06 0.00 0.00 60.65 59.39 1tvs h LYS 56 Cb 0.09 -0.15 -0.01 0.00 -0.57 0.00 0.00 32.23 31.58 1tvs h LYS 56 CO 0.00 0.45 -0.58 1.57 -2.06 0.00 0.00 179.45 178.84 1tvs h LYS 57 N 0.70 0.43 0.00 3.15 -0.00 -1.86 -3.02 116.57 115.98 1tvs h LYS 57 Ca 0.50 -0.28 0.00 0.00 -0.00 0.00 0.00 60.65 60.87 1tvs h LYS 57 Cb 0.71 0.04 0.00 0.00 -0.00 0.00 0.00 32.23 32.98 1tvs h LYS 57 CO -0.36 0.88 0.00 -1.71 -0.00 0.00 0.00 179.45 178.26 1tvs n ASN 58 N -3.93 0.50 -0.05 7.07 2.85 0.25 -3.29 115.26 118.67 1tvs n ASN 58 Ca -0.03 0.55 0.15 0.00 -0.11 0.00 0.00 54.58 55.14 1tvs n ASN 58 Cb 0.61 -0.68 0.57 0.00 1.24 0.00 0.00 39.78 41.51 1tvs n ASN 58 CO 0.00 0.00 0.00 0.50 -2.11 0.00 0.00 177.26 175.65 1tvs h LYS 59 N 0.00 0.25 -0.08 1.20 3.11 -0.08 -0.41 116.57 120.57 1tvs h LYS 59 Ca 0.00 -0.02 -0.03 0.00 -2.81 0.00 0.00 60.65 57.79 1tvs h LYS 59 Cb 0.64 -0.06 -0.02 0.00 -1.00 0.00 0.00 32.23 31.79 1tvs h LYS 59 CO 0.00 0.17 -0.30 0.00 -2.81 0.00 0.00 179.45 176.50 1tvs n GLN 60 N -4.45 1.64 0.00 1.90 -0.00 -1.21 -4.74 117.38 110.52 1tvs n GLN 60 Ca 0.10 -3.13 0.15 0.00 -0.00 0.00 0.00 57.00 54.12 1tvs n GLN 60 Cb 0.45 -1.65 0.76 0.00 -0.00 0.00 0.00 30.24 29.80 1tvs n GLN 60 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.06 177.60 1tvs n ARG 61 N -1.15 0.97 -1.68 2.61 5.12 -0.16 -4.35 116.66 118.01 1tvs n ARG 61 Ca 0.21 -0.23 -0.38 0.00 -1.93 0.00 0.00 57.85 55.52 1tvs n ARG 61 Cb 0.76 -1.50 -0.03 0.00 -1.16 0.00 0.00 32.46 30.53 1tvs n ARG 61 CO 0.00 0.00 0.00 -1.17 -1.93 0.00 0.00 177.63 174.53 1tvs s LEU 62 N -2.19 3.39 -1.07 0.55 2.96 -1.26 -0.91 118.68 120.14 1tvs s LEU 62 Ca 0.39 1.06 0.00 0.00 -0.22 0.00 0.00 54.13 55.36 1tvs s LEU 62 Cb 0.21 -2.70 0.00 0.00 0.50 0.00 0.00 46.19 44.20 1tvs s LEU 62 CO 0.40 -2.60 0.00 0.29 -1.32 0.00 0.00 176.35 173.12 1tvs n LYS 63 N 8.98 -0.75 -0.40 1.98 5.02 -1.26 -4.91 118.16 126.82 1tvs n LYS 63 Ca 0.32 0.80 0.07 0.00 -2.02 0.00 0.00 58.31 57.49 1tvs n LYS 63 Cb 0.53 -4.77 0.18 0.00 -0.02 0.00 0.00 35.03 30.95 1tvs n LYS 63 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1tvs n ALA 64 N 0.69 3.15 -0.04 7.82 0.00 -0.09 -4.56 120.51 127.48 1tvs n ALA 64 Ca -0.11 -3.06 -0.10 0.00 0.00 0.00 0.00 53.44 50.17 1tvs n ALA 64 Cb 0.39 -0.36 -0.04 0.00 0.00 0.00 0.00 19.45 19.44 1tvs n ALA 64 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 1tvs h ILE 65 N 0.63 1.08 -0.77 0.00 1.08 -1.91 -3.26 117.51 114.36 1tvs h ILE 65 Ca 0.00 -0.19 -0.41 0.00 -0.39 0.00 0.00 64.86 63.87 1tvs h ILE 65 Cb 1.00 0.87 -0.41 0.00 -3.07 0.00 0.00 36.82 35.21 1tvs h ILE 65 CO 0.00 0.07 -0.97 0.00 -0.69 0.00 0.00 178.15 176.56 1tvs n GLN 66 N -4.93 2.55 -1.62 2.37 3.00 -1.26 -5.10 117.38 112.39 1tvs n GLN 66 Ca -0.04 -3.84 -0.22 0.00 -0.01 0.00 0.00 57.00 52.90 1tvs n GLN 66 Cb 0.05 -1.88 0.14 0.00 0.00 0.00 0.00 30.24 28.55 1tvs n GLN 66 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.06 178.10 1tvs n GLN 67 N -0.55 -0.77 0.00 -1.09 1.13 -1.23 -5.03 117.38 109.84 1tvs n GLN 67 Ca 0.25 -1.71 0.00 0.00 -1.94 0.00 0.00 57.00 53.60 1tvs n GLN 67 Cb 0.84 -0.94 0.00 0.00 0.11 0.00 0.00 30.24 30.26 1tvs n GLN 67 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1tvs n GLY 68 N -1.56 0.00 2.55 1.08 0.00 -1.26 -5.06 105.19 100.94 1tvs n GLY 68 Ca 0.13 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.11 1tvs n GLY 68 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1tvs n ARG 69 N 0.00 0.24 -0.60 1.61 3.00 -1.26 -4.75 116.66 114.89 1tvs n ARG 69 Ca 0.00 -0.70 0.00 0.00 -0.00 0.00 0.00 57.85 57.15 1tvs n ARG 69 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.46 1tvs n ARG 69 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.63 178.67 1tvs n GLN 70 N -0.49 2.35 -1.32 -0.14 6.02 -1.26 -4.89 117.38 117.65 1tvs n GLN 70 Ca -0.24 0.00 -0.42 0.00 -0.01 0.00 0.00 57.00 56.33 1tvs n GLN 70 Cb 0.65 0.00 -0.04 0.00 1.02 0.00 0.00 30.24 31.87 1tvs n GLN 70 CO 0.00 0.00 0.00 -0.35 -1.01 0.00 0.00 177.06 175.70 1tvs n PRO 71 N -0.33 1.95 0.00 -1.09 -0.04 -1.26 -4.19 135.00 130.03 1tvs n PRO 71 Ca 0.00 -2.07 0.00 0.00 -0.04 0.00 0.00 63.50 61.39 1tvs n PRO 71 Cb 0.00 -3.02 0.00 0.00 -0.04 0.00 0.00 33.50 30.44 1tvs n PRO 71 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 1tvs n GLN 72 N 6.62 0.00 0.02 0.54 6.02 -1.26 -4.60 117.38 124.72 1tvs n GLN 72 Ca 0.50 0.00 -0.08 0.00 -0.01 0.00 0.00 57.00 57.41 1tvs n GLN 72 Cb 0.39 -2.76 0.08 0.00 1.02 0.00 0.00 30.24 28.97 1tvs n GLN 72 CO 0.00 0.00 0.00 0.10 -1.01 0.00 0.00 177.06 176.15 1tvs h TYR 73 N 0.00 0.60 0.04 1.08 -0.00 -2.02 -3.28 116.97 113.39 1tvs h TYR 73 Ca 0.00 -0.21 -0.33 0.00 0.00 0.00 0.00 58.73 58.19 1tvs h TYR 73 Cb 0.00 -0.11 -0.04 0.00 0.00 0.00 0.00 36.73 36.58 1tvs h TYR 73 CO 0.00 0.92 -1.83 -0.11 -0.00 0.00 0.00 178.16 177.14 1tvs n LEU 74 N -3.95 2.24 0.00 0.10 -0.00 -1.26 -5.05 117.00 109.08 1tvs n LEU 74 Ca -0.03 0.28 0.00 0.00 -0.00 0.00 0.00 56.01 56.26 1tvs n LEU 74 Cb 0.60 -0.99 0.00 0.00 -0.00 0.00 0.00 43.42 43.03 1tvs n LEU 74 CO 0.46 0.58 0.00 -0.11 -0.00 0.00 0.00 177.39 178.32