#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kvs s ALA 2 N 0.00 1.30 -0.03 3.04 0.00 -1.26 -4.80 121.76 120.01 2kvs s ALA 2 Ca 0.00 -0.39 -0.00 0.00 0.00 0.00 0.00 51.96 51.57 2kvs s ALA 2 Cb 0.00 -3.09 0.00 0.00 0.00 0.00 0.00 23.12 20.03 2kvs s ALA 2 CO 0.00 -2.59 0.00 0.41 0.00 0.00 0.00 175.76 173.58 2kvs n GLY 3 N -1.49 -2.95 3.68 0.00 0.00 -1.26 -4.94 105.19 98.23 2kvs n GLY 3 Ca 0.06 -0.17 -0.42 0.00 0.00 0.00 0.00 46.02 45.49 2kvs n GLY 3 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2kvs s ASP 4 N -0.19 6.45 0.00 1.61 2.15 -1.26 -4.89 116.67 120.53 2kvs s ASP 4 Ca 0.00 2.70 0.23 0.00 0.43 0.00 0.00 52.55 55.91 2kvs s ASP 4 Cb -0.00 -2.55 0.15 0.00 -0.30 0.00 0.00 42.92 40.22 2kvs s ASP 4 CO 0.08 -1.02 1.17 -0.81 -0.17 0.00 0.00 175.17 174.42 2kvs n PRO 5 N 6.47 0.14 0.06 4.34 -0.04 -1.26 -4.60 135.00 140.11 2kvs n PRO 5 Ca 0.19 -0.10 -0.12 0.00 -0.04 0.00 0.00 63.50 63.42 2kvs n PRO 5 Cb 0.40 -1.50 -0.09 0.00 -0.04 0.00 0.00 33.50 32.27 2kvs n PRO 5 CO 0.00 0.00 0.00 0.52 -0.04 0.00 0.00 175.50 175.98 2kvs h MET 6 N 0.25 -0.19 0.00 0.54 2.86 -1.83 -3.43 114.93 113.14 2kvs h MET 6 Ca 0.00 0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.65 2kvs h MET 6 Cb 0.52 0.04 0.00 0.00 0.06 0.00 0.00 31.60 32.22 2kvs h MET 6 CO 0.00 0.22 0.00 0.25 1.06 0.00 0.00 176.91 178.44 2kvs n THR 7 N -4.97 0.00 -0.22 2.22 -2.24 -1.26 -4.38 114.28 103.43 2kvs n THR 7 Ca -0.09 0.00 -0.06 0.00 -2.27 0.00 0.00 64.05 61.64 2kvs n THR 7 Cb 0.26 0.00 -0.05 0.00 -2.10 0.00 0.00 70.33 68.43 2kvs n THR 7 CO 0.00 0.00 0.00 0.33 -0.57 0.00 0.00 175.07 174.83 2kvs n PHE 8 N 0.00 -0.23 -0.10 4.78 7.35 -1.26 -0.52 117.46 127.48 2kvs n PHE 8 Ca 0.00 0.66 -0.08 0.00 -0.76 0.00 0.00 57.45 57.27 2kvs n PHE 8 Cb 0.00 -0.51 -0.00 0.00 0.35 0.00 0.00 39.48 39.32 2kvs n PHE 8 CO 0.00 0.00 0.00 -0.92 -0.76 0.00 0.00 176.76 175.08 2kvs h TYR 9 N 0.00 0.37 0.00 -5.13 3.20 -1.97 -1.60 116.97 111.84 2kvs h TYR 9 Ca 0.08 0.01 -0.00 0.00 3.14 0.00 0.00 58.73 61.96 2kvs h TYR 9 Cb 0.22 -0.12 -0.00 0.00 1.54 0.00 0.00 36.73 38.37 2kvs h TYR 9 CO -0.67 0.22 -0.01 -0.97 -1.64 0.00 0.00 178.16 175.08 2kvs h ASN 10 N 0.40 0.00 0.00 -2.11 -1.24 -1.14 -2.61 115.58 108.88 2kvs h ASN 10 Ca 0.13 0.00 -0.03 0.00 0.71 0.00 0.00 56.30 57.12 2kvs h ASN 10 Cb 0.00 0.00 -0.00 0.00 0.73 0.00 0.00 38.32 39.05 2kvs h ASN 10 CO -0.06 0.01 -0.17 0.15 -1.29 0.00 0.00 177.43 176.07 2kvs h PHE 11 N 0.00 0.00 0.00 0.67 3.57 -0.60 -3.37 116.94 117.21 2kvs h PHE 11 Ca -0.00 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.49 2kvs h PHE 11 Cb 0.03 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 38.77 2kvs h PHE 11 CO 0.00 0.83 -0.04 0.97 -2.23 0.00 0.00 178.31 177.84 2kvs h ILE 12 N -1.00 0.31 -0.62 1.41 6.09 -1.08 -2.35 117.51 120.27 2kvs h ILE 12 Ca -0.04 -0.24 0.12 0.00 -1.37 0.00 0.00 64.86 63.33 2kvs h ILE 12 Cb 0.82 1.18 -0.04 0.00 0.47 0.00 0.00 36.82 39.25 2kvs h ILE 12 CO -0.03 0.04 0.42 0.24 -3.07 0.00 0.00 178.15 175.75 2kvs h MET 13 N 0.00 0.33 -0.23 2.19 2.86 -1.64 -1.17 114.93 117.28 2kvs h MET 13 Ca -0.00 -0.02 0.07 0.00 -2.06 0.00 0.00 59.70 57.69 2kvs h MET 13 Cb 0.17 -0.07 -0.01 0.00 0.06 0.00 0.00 31.60 31.75 2kvs h MET 13 CO 0.01 0.22 0.20 0.78 1.06 0.00 0.00 176.91 179.18 2kvs h GLY 14 N 0.34 0.00 1.35 8.32 0.00 -1.66 -0.06 103.07 111.36 2kvs h GLY 14 Ca 0.29 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.62 2kvs h GLY 14 CO -0.08 0.00 -0.64 0.74 0.00 0.00 0.00 176.54 176.56 2kvs h PHE 15 N 0.00 0.00 0.00 5.60 -1.00 -1.42 -3.30 116.94 116.82 2kvs h PHE 15 Ca 0.11 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.89 2kvs h PHE 15 Cb 0.51 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.07 2kvs h PHE 15 CO 0.00 0.00 0.00 0.37 -1.61 0.00 0.00 178.31 177.07 2kvs h GLN 16 N 0.00 0.00 -0.26 1.51 5.75 -0.98 -2.87 115.11 118.26 2kvs h GLN 16 Ca 0.00 0.00 0.04 0.00 -0.15 0.00 0.00 58.65 58.54 2kvs h GLN 16 Cb 0.99 0.00 -0.01 0.00 1.07 0.00 0.00 27.48 29.53 2kvs h GLN 16 CO 0.00 0.00 0.18 -0.97 -2.65 0.00 0.00 178.83 175.39 2kvs h ASN 17 N 0.00 0.15 -3.19 -0.69 -0.73 -1.62 -3.42 115.58 106.08 2kvs h ASN 17 Ca 0.00 -0.00 -0.65 0.00 1.87 0.00 0.00 56.30 57.52 2kvs h ASN 17 Cb 0.51 -0.03 -0.17 0.00 0.27 0.00 0.00 38.32 38.90 2kvs h ASN 17 CO 0.00 0.10 -0.79 -1.81 -0.37 0.00 0.00 177.43 174.57 2kvs s ASP 18 N -6.72 3.75 -1.18 1.15 1.01 -1.08 -5.07 116.67 108.53 2kvs s ASP 18 Ca -0.06 -0.74 -0.20 0.00 0.71 0.00 0.00 52.55 52.26 2kvs s ASP 18 Cb 0.18 -0.44 0.06 0.00 1.01 0.00 0.00 42.92 43.73 2kvs s ASP 18 CO 0.70 0.12 1.61 0.20 0.21 0.00 0.00 175.17 178.01 2kvs s ASN 19 N -2.67 6.70 0.14 0.27 0.02 -1.26 -4.58 114.94 113.56 2kvs s ASN 19 Ca 0.22 -2.04 0.06 0.00 -1.02 0.00 0.00 52.86 50.07 2kvs s ASN 19 Cb -0.08 -2.57 -0.04 0.00 0.02 0.00 0.00 41.25 38.57 2kvs s ASN 19 CO 0.12 -1.30 -0.13 0.42 0.02 0.00 0.00 177.10 176.23 2kvs s THR 20 N 4.48 1.31 0.48 1.60 -4.23 -1.26 -5.00 115.64 113.01 2kvs s THR 20 Ca 0.50 -1.89 0.24 0.00 -1.18 0.00 0.00 61.69 59.36 2kvs s THR 20 Cb 0.02 -1.69 0.42 0.00 1.34 0.00 0.00 72.50 72.59 2kvs s THR 20 CO 0.00 -0.56 1.88 -0.65 -0.54 0.00 0.00 174.62 174.75 2kvs h PRO 21 N 3.15 0.20 -0.31 3.99 0.11 -1.94 0.29 132.00 137.49 2kvs h PRO 21 Ca -0.38 -0.01 -0.12 0.00 0.11 0.00 0.00 66.00 65.60 2kvs h PRO 21 Cb 1.20 -0.05 -0.01 0.00 0.11 0.00 0.00 31.00 32.26 2kvs h PRO 21 CO 0.57 0.13 -0.26 0.74 -0.21 0.00 0.00 178.00 178.97 2kvs h PHE 22 N 0.21 0.86 -0.03 0.65 -1.00 -1.92 -2.98 116.94 112.73 2kvs h PHE 22 Ca 0.43 -0.25 -0.03 0.00 2.81 0.00 0.00 57.97 60.93 2kvs h PHE 22 Cb 1.36 -0.19 -0.01 0.00 3.61 0.00 0.00 35.95 40.73 2kvs h PHE 22 CO -0.00 0.99 -0.14 0.78 -1.61 0.00 0.00 178.31 178.33 2kvs h GLY 23 N 0.49 0.06 1.19 -1.45 0.00 -0.70 -2.25 103.07 100.41 2kvs h GLY 23 Ca 0.06 -0.03 0.02 0.00 0.00 0.00 0.00 47.33 47.37 2kvs h GLY 23 CO 0.07 0.03 0.52 -2.22 0.00 0.00 0.00 176.54 174.94 2kvs h ILE 24 N 0.05 1.18 0.00 2.60 1.08 -0.47 0.23 117.51 122.18 2kvs h ILE 24 Ca 0.01 -0.36 0.01 0.00 -0.39 0.00 0.00 64.86 64.13 2kvs h ILE 24 Cb 0.27 0.05 -0.01 0.00 -3.07 0.00 0.00 36.82 34.06 2kvs h ILE 24 CO 0.02 0.19 -0.05 0.25 -0.69 0.00 0.00 178.15 177.87 2kvs h LEU 25 N 1.04 -0.15 -1.26 1.44 7.12 -1.33 -0.04 115.31 122.13 2kvs h LEU 25 Ca 0.30 0.02 0.02 0.00 0.13 0.00 0.00 57.88 58.35 2kvs h LEU 25 Cb -0.08 0.06 -0.04 0.00 -0.53 0.00 0.00 40.66 40.08 2kvs h LEU 25 CO -0.07 -0.08 0.51 0.00 -0.13 0.00 0.00 178.44 178.67 2kvs h ALA 26 N 0.90 1.49 0.31 1.25 0.00 -1.29 -1.45 119.26 120.47 2kvs h ALA 26 Ca 0.02 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.87 2kvs h ALA 26 Cb 0.12 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 17.62 2kvs h ALA 26 CO -0.05 0.45 -0.15 1.49 0.00 0.00 0.00 179.25 180.98 2kvs h GLU 27 N 1.00 -0.40 -0.17 0.00 4.81 -0.06 -1.27 114.58 118.48 2kvs h GLU 27 Ca 0.29 0.03 -0.12 0.00 -0.13 0.00 0.00 59.36 59.44 2kvs h GLU 27 Cb -0.04 0.09 -0.01 0.00 0.63 0.00 0.00 28.75 29.42 2kvs h GLU 27 CO -0.07 -0.22 -0.40 1.25 -0.73 0.00 0.00 179.01 178.84 2kvs h HIS 28 N -0.49 0.45 0.00 0.92 2.76 -0.77 0.04 115.15 118.05 2kvs h HIS 28 Ca -0.04 -0.12 -0.11 0.00 -2.20 0.00 0.00 60.37 57.89 2kvs h HIS 28 Cb 0.37 -0.10 -0.02 0.00 1.55 0.00 0.00 27.41 29.21 2kvs h HIS 28 CO -0.04 0.73 -0.53 -0.39 -1.30 0.00 0.00 177.93 176.40 2kvs h VAL 29 N 0.32 1.25 0.00 5.26 -1.51 -1.28 -2.45 116.25 117.84 2kvs h VAL 29 Ca 0.03 -1.91 -0.05 0.00 -1.23 0.00 0.00 66.70 63.54 2kvs h VAL 29 Cb 0.84 2.06 -0.01 0.00 -2.13 0.00 0.00 31.29 32.06 2kvs h VAL 29 CO 0.07 0.52 -0.24 -1.28 -1.23 0.00 0.00 177.57 175.41 2kvs h SER 30 N 0.00 0.00 0.29 4.19 0.87 -0.63 -3.00 113.55 115.27 2kvs h SER 30 Ca -0.01 0.00 -0.08 0.00 -1.23 0.00 0.00 61.79 60.48 2kvs h SER 30 Cb 1.02 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.97 2kvs h SER 30 CO 0.07 0.24 -0.33 -0.08 -0.53 0.00 0.00 176.83 176.20 2kvs h GLU 31 N 0.00 0.07 -7.50 2.24 4.81 -0.52 -3.44 114.58 110.25 2kvs h GLU 31 Ca -0.00 -0.02 -0.47 0.00 -0.13 0.00 0.00 59.36 58.73 2kvs h GLU 31 Cb 0.87 -0.00 0.12 0.00 0.63 0.00 0.00 28.75 30.37 2kvs h GLU 31 CO 0.03 0.39 0.33 0.34 -0.73 0.00 0.00 179.01 179.38 2kvs s ASP 32 N -6.93 3.97 0.58 1.04 2.15 -1.13 -4.95 116.67 111.40 2kvs s ASP 32 Ca -0.03 1.01 0.30 0.00 0.43 0.00 0.00 52.55 54.26 2kvs s ASP 32 Cb 0.14 -1.62 1.80 0.00 -0.30 0.00 0.00 42.92 42.95 2kvs s ASP 32 CO 0.73 -2.27 2.23 0.11 -0.17 0.00 0.00 175.17 175.80 2kvs h LYS 33 N -1.30 0.00 -1.97 4.34 1.57 -1.84 -3.46 116.57 113.91 2kvs h LYS 33 Ca -0.49 0.00 -0.28 0.00 -1.87 0.00 0.00 60.65 58.01 2kvs h LYS 33 Cb 1.32 0.00 -0.08 0.00 0.08 0.00 0.00 32.23 33.54 2kvs h LYS 33 CO 0.62 0.02 -0.28 0.00 -0.57 0.00 0.00 179.45 179.25 2kvs n ALA 34 N -2.29 -0.35 -2.69 3.86 0.00 -1.26 -4.94 120.51 112.83 2kvs n ALA 34 Ca -0.03 0.19 -0.35 0.00 0.00 0.00 0.00 53.44 53.26 2kvs n ALA 34 Cb 0.11 -1.49 -0.09 0.00 0.00 0.00 0.00 19.45 17.99 2kvs n ALA 34 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.50 177.62 2kvs s PHE 35 N -2.30 3.18 -0.58 0.00 5.36 -1.26 -4.98 117.98 117.39 2kvs s PHE 35 Ca 0.00 0.21 -0.07 0.00 -0.96 0.00 0.00 56.93 56.11 2kvs s PHE 35 Cb 0.00 -1.79 -0.19 0.00 -0.34 0.00 0.00 43.02 40.70 2kvs s PHE 35 CO 0.00 0.49 1.30 -2.30 -1.46 0.00 0.00 175.22 173.25 2kvs n PRO 36 N 2.10 0.00 -0.03 10.12 -0.02 -1.26 -4.70 135.00 141.22 2kvs n PRO 36 Ca -0.19 0.00 -0.05 0.00 -2.02 0.00 0.00 63.50 61.24 2kvs n PRO 36 Cb 0.54 -0.63 -0.02 0.00 -0.02 0.00 0.00 33.50 33.37 2kvs n PRO 36 CO 0.00 0.00 0.00 -2.13 1.98 0.00 0.00 175.50 175.35 2kvs n ARG 37 N 3.47 0.28 -0.26 -0.52 0.63 -1.26 -4.95 116.66 114.05 2kvs n ARG 37 Ca 0.40 0.11 0.00 0.00 -0.92 0.00 0.00 57.85 57.44 2kvs n ARG 37 Cb 0.07 -1.00 0.00 0.00 0.45 0.00 0.00 32.46 31.99 2kvs n ARG 37 CO 0.00 0.00 0.00 -0.11 -2.51 0.00 0.00 177.63 175.01 2kvs n LEU 38 N -3.99 0.00 0.00 6.15 7.94 -1.26 -4.95 117.00 120.89 2kvs n LEU 38 Ca -0.09 -0.72 0.08 0.00 -1.11 0.00 0.00 56.01 54.17 2kvs n LEU 38 Cb 0.30 0.00 0.46 0.00 0.53 0.00 0.00 43.42 44.71 2kvs n LEU 38 CO 0.11 0.66 0.72 -0.62 -1.11 0.00 0.00 177.39 177.14 2kvs n GLU 39 N 0.00 0.78 0.20 1.96 4.71 -1.26 -2.97 120.64 124.05 2kvs n GLU 39 Ca 0.00 0.00 0.04 0.00 -0.01 0.00 0.00 57.16 57.19 2kvs n GLU 39 Cb 0.52 -1.31 0.42 0.00 -1.01 0.00 0.00 31.44 30.05 2kvs n GLU 39 CO 0.00 0.00 0.00 0.93 0.09 0.00 0.00 177.13 178.15 2kvs h GLU 40 N 0.00 0.00 -5.87 3.49 5.08 -1.90 -3.38 114.58 111.99 2kvs h GLU 40 Ca 0.00 0.00 -0.59 0.00 -1.00 0.00 0.00 59.36 57.77 2kvs h GLU 40 Cb 0.00 0.00 -0.08 0.00 0.50 0.00 0.00 28.75 29.17 2kvs h GLU 40 CO 0.00 0.31 0.57 1.03 -1.00 0.00 0.00 179.01 179.92 2kvs s ARG 41 N -4.29 4.20 -0.04 2.33 1.81 -1.16 -4.66 118.95 117.15 2kvs s ARG 41 Ca -0.03 1.06 0.01 0.00 -1.72 0.00 0.00 55.73 55.05 2kvs s ARG 41 Cb 0.15 -3.64 0.08 0.00 -0.45 0.00 0.00 34.95 31.08 2kvs s ARG 41 CO 0.71 -0.55 0.91 0.72 -0.68 0.00 0.00 175.30 176.41 2kvs n HIS 42 N 6.10 0.29 0.08 -0.53 8.25 -1.26 -4.04 115.22 124.11 2kvs n HIS 42 Ca 0.07 -0.42 0.00 0.00 -0.26 0.00 0.00 57.72 57.12 2kvs n HIS 42 Cb 0.47 -0.25 0.00 0.00 1.12 0.00 0.00 29.99 31.33 2kvs n HIS 42 CO 0.00 0.00 0.00 1.04 0.64 0.00 0.00 176.34 178.02 2kvs n GLN 43 N 0.22 0.00 -0.03 -0.41 6.02 -1.26 -4.85 117.38 117.07 2kvs n GLN 43 Ca 0.05 0.00 0.22 0.00 -0.01 0.00 0.00 57.00 57.27 2kvs n GLN 43 Cb 0.52 -0.17 0.71 0.00 1.02 0.00 0.00 30.24 32.32 2kvs n GLN 43 CO 0.00 0.00 0.00 -0.39 -1.01 0.00 0.00 177.06 175.66 2kvs h VAL 44 N 0.00 0.61 -0.84 5.09 -1.51 -1.95 0.14 116.25 117.79 2kvs h VAL 44 Ca 0.00 0.00 0.15 0.00 -1.23 0.00 0.00 66.70 65.62 2kvs h VAL 44 Cb 0.00 0.67 -0.06 0.00 -2.13 0.00 0.00 31.29 29.77 2kvs h VAL 44 CO 0.00 0.00 0.55 0.40 -1.23 0.00 0.00 177.57 177.29 2kvs h ILE 45 N 0.00 0.80 -0.99 7.19 1.08 -1.89 0.19 117.51 123.89 2kvs h ILE 45 Ca 0.28 -0.19 0.02 0.00 -0.39 0.00 0.00 64.86 64.58 2kvs h ILE 45 Cb 1.20 0.20 -0.05 0.00 -3.07 0.00 0.00 36.82 35.10 2kvs h ILE 45 CO -0.00 0.10 0.65 -0.09 -0.69 0.00 0.00 178.15 178.12 2kvs h ARG 46 N 0.55 1.28 -0.12 2.37 2.43 -1.30 -2.83 114.38 116.75 2kvs h ARG 46 Ca 0.42 -0.08 -0.17 0.00 -0.81 0.00 0.00 59.98 59.35 2kvs h ARG 46 Cb 0.82 -0.29 0.01 0.00 -0.42 0.00 0.00 29.97 30.09 2kvs h ARG 46 CO -0.17 0.85 -0.57 0.00 -1.51 0.00 0.00 179.97 178.57 2kvs h ALA 47 N 1.39 0.24 -0.17 2.80 0.00 -0.83 -3.26 119.26 119.43 2kvs h ALA 47 Ca 0.37 -0.53 0.05 0.00 0.00 0.00 0.00 54.91 54.80 2kvs h ALA 47 Cb -0.12 -0.01 -0.07 0.00 0.00 0.00 0.00 17.79 17.59 2kvs h ALA 47 CO -0.09 0.47 -0.36 1.88 0.00 0.00 0.00 179.25 181.15 2kvs h TYR 48 N 0.25 -1.01 -0.96 0.00 0.05 -0.85 0.17 116.97 114.62 2kvs h TYR 48 Ca -0.04 0.05 0.03 0.00 0.05 0.00 0.00 58.73 58.82 2kvs h TYR 48 Cb 1.21 0.47 -0.05 0.00 1.01 0.00 0.00 36.73 39.36 2kvs h TYR 48 CO 0.10 -0.43 0.63 -0.39 -1.05 0.00 0.00 178.16 177.03 2kvs h VAL 49 N -0.41 1.19 0.00 -2.88 -1.51 -1.63 -2.52 116.25 108.49 2kvs h VAL 49 Ca 0.10 -0.42 -0.20 0.00 -1.23 0.00 0.00 66.70 64.94 2kvs h VAL 49 Cb 0.58 -0.15 -0.01 0.00 -2.13 0.00 0.00 31.29 29.58 2kvs h VAL 49 CO -0.40 0.23 -0.89 0.24 -1.23 0.00 0.00 177.57 175.52 2kvs h MET 50 N 1.23 0.22 0.00 5.19 2.86 -1.47 0.95 114.93 123.91 2kvs h MET 50 Ca 0.37 -0.24 0.00 0.00 -2.06 0.00 0.00 59.70 57.77 2kvs h MET 50 Cb -0.04 0.07 0.00 0.00 0.06 0.00 0.00 31.60 31.69 2kvs h MET 50 CO -0.10 0.97 0.00 0.45 1.06 0.00 0.00 176.91 179.29 2kvs n SER 51 N -3.67 0.00 0.00 1.22 2.88 0.56 -3.90 113.62 110.72 2kvs n SER 51 Ca -0.04 0.29 0.00 0.00 -1.33 0.00 0.00 58.87 57.79 2kvs n SER 51 Cb 0.81 -0.42 0.00 0.00 -0.75 0.00 0.00 64.21 63.85 2kvs n SER 51 CO 0.00 0.00 0.00 0.59 -1.23 0.00 0.00 175.04 174.40 2kvs n ASN 52 N -1.42 3.12 -4.10 -3.46 3.02 -1.00 -5.07 115.26 106.35 2kvs n ASN 52 Ca 0.08 0.00 -0.19 0.00 -0.03 0.00 0.00 54.58 54.44 2kvs n ASN 52 Cb 0.26 0.41 -0.14 0.00 -0.61 0.00 0.00 39.78 39.70 2kvs n ASN 52 CO 0.00 0.00 0.00 -0.31 -2.62 0.00 0.00 177.26 174.33 2kvs s TYR 53 N -1.50 1.06 -0.17 3.10 2.02 0.32 -5.04 117.35 117.14 2kvs s TYR 53 Ca 0.00 -0.31 0.16 0.00 -0.37 0.00 0.00 57.07 56.56 2kvs s TYR 53 Cb 0.00 -0.64 0.39 0.00 -0.40 0.00 0.00 41.96 41.30 2kvs s TYR 53 CO 0.00 0.01 1.25 0.25 -1.57 0.00 0.00 175.55 175.49 2kvs n THR 54 N 2.16 2.09 -3.58 -0.71 -2.24 -1.26 -4.26 114.28 106.49 2kvs n THR 54 Ca -0.17 -2.37 -0.39 0.00 -2.27 0.00 0.00 64.05 58.86 2kvs n THR 54 Cb 0.55 -0.25 -0.11 0.00 -2.10 0.00 0.00 70.33 68.42 2kvs n THR 54 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2kvs s ASP 55 N -2.68 6.00 0.52 3.42 2.15 -1.26 -4.98 116.67 119.84 2kvs s ASP 55 Ca 0.36 -0.13 0.31 0.00 0.43 0.00 0.00 52.55 53.52 2kvs s ASP 55 Cb 0.32 -2.12 1.12 0.00 -0.30 0.00 0.00 42.92 41.94 2kvs s ASP 55 CO 0.03 -0.10 1.89 0.45 -0.17 0.00 0.00 175.17 177.27 2kvs h HIS 56 N 8.40 0.00 0.00 -5.34 3.86 -1.98 -1.26 115.15 118.83 2kvs h HIS 56 Ca -0.34 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 58.87 2kvs h HIS 56 Cb 1.18 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.65 2kvs h HIS 56 CO 0.73 0.02 0.00 1.04 0.86 0.00 0.00 177.93 180.58 2kvs n GLN 57 N -3.12 0.12 -0.12 2.45 6.02 -1.26 -2.31 117.38 119.16 2kvs n GLN 57 Ca 0.01 0.37 -0.18 0.00 -0.01 0.00 0.00 57.00 57.19 2kvs n GLN 57 Cb 0.36 -1.74 -0.10 0.00 1.02 0.00 0.00 30.24 29.78 2kvs n GLN 57 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 2kvs n LEU 58 N -1.97 2.71 0.20 1.08 4.77 -0.58 -4.42 117.00 118.80 2kvs n LEU 58 Ca 0.02 -0.03 -0.08 0.00 -0.03 0.00 0.00 56.01 55.90 2kvs n LEU 58 Cb 0.20 -0.79 -0.04 0.00 -2.33 0.00 0.00 43.42 40.46 2kvs n LEU 58 CO 0.17 0.81 0.51 0.40 -1.33 0.00 0.00 177.39 177.95 2kvs h ILE 59 N -0.20 0.00 -0.87 -0.08 1.08 -1.15 -1.22 117.51 115.07 2kvs h ILE 59 Ca -0.54 0.00 0.10 0.00 -0.39 0.00 0.00 64.86 64.03 2kvs h ILE 59 Cb 1.74 0.00 -0.06 0.00 -3.07 0.00 0.00 36.82 35.43 2kvs h ILE 59 CO -0.15 0.00 0.56 -0.33 -0.69 0.00 0.00 178.15 177.55 2kvs h GLU 60 N -0.51 0.80 -0.75 2.37 3.07 -1.76 -0.64 114.58 117.16 2kvs h GLU 60 Ca -0.05 -0.05 0.04 0.00 -0.50 0.00 0.00 59.36 58.80 2kvs h GLU 60 Cb 0.39 -0.18 -0.05 0.00 -0.84 0.00 0.00 28.75 28.07 2kvs h GLU 60 CO 0.08 0.53 0.46 1.15 -1.40 0.00 0.00 179.01 179.83 2kvs h THR 61 N 0.82 1.07 -0.48 1.13 2.02 -1.72 -1.45 112.91 114.30 2kvs h THR 61 Ca 0.41 -0.30 0.00 0.00 0.77 0.00 0.00 66.41 67.29 2kvs h THR 61 Cb 0.47 0.11 -0.02 0.00 -1.74 0.00 0.00 68.15 66.96 2kvs h THR 61 CO -0.17 0.16 0.30 0.74 0.37 0.00 0.00 175.52 176.92 2kvs h THR 62 N 0.88 1.14 -0.63 3.16 2.02 0.13 -2.24 112.91 117.37 2kvs h THR 62 Ca 0.31 -0.29 0.06 0.00 0.77 0.00 0.00 66.41 67.26 2kvs h THR 62 Cb 0.08 0.47 -0.05 0.00 -1.74 0.00 0.00 68.15 66.91 2kvs h THR 62 CO -0.14 0.14 0.34 -1.13 0.37 0.00 0.00 175.52 175.10 2kvs h ASN 63 N 0.64 0.49 0.36 4.18 -1.24 -0.83 -2.42 115.58 116.77 2kvs h ASN 63 Ca 0.17 0.03 -0.02 0.00 0.71 0.00 0.00 56.30 57.20 2kvs h ASN 63 Cb -0.04 -0.06 0.00 0.00 0.73 0.00 0.00 38.32 38.96 2kvs h ASN 63 CO -0.03 0.32 -0.18 -0.09 -1.29 0.00 0.00 177.43 176.16 2kvs h ARG 64 N 0.63 -0.48 -0.76 6.67 2.43 -0.98 0.70 114.38 122.60 2kvs h ARG 64 Ca 0.28 0.03 0.11 0.00 -0.81 0.00 0.00 59.98 59.59 2kvs h ARG 64 Cb 0.19 0.11 -0.08 0.00 -0.42 0.00 0.00 29.97 29.77 2kvs h ARG 64 CO -0.19 -0.32 0.38 0.00 -1.51 0.00 0.00 179.97 178.34 2kvs h ALA 65 N 0.15 1.07 -0.20 2.80 0.00 -1.21 -1.41 119.26 120.45 2kvs h ALA 65 Ca -0.05 0.06 -0.19 0.00 0.00 0.00 0.00 54.91 54.73 2kvs h ALA 65 Cb 0.38 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.13 2kvs h ALA 65 CO 0.08 -0.05 -0.65 0.82 0.00 0.00 0.00 179.25 179.45 2kvs h ILE 66 N 0.62 1.30 -0.63 0.00 2.04 -1.37 -3.33 117.51 116.13 2kvs h ILE 66 Ca 0.38 -1.87 0.10 0.00 1.00 0.00 0.00 64.86 64.47 2kvs h ILE 66 Cb 0.44 1.83 -0.08 0.00 -0.74 0.00 0.00 36.82 38.27 2kvs h ILE 66 CO -0.29 0.59 0.22 -1.28 0.00 0.00 0.00 178.15 177.39 2kvs h SER 67 N 0.54 0.19 -0.69 1.72 0.87 0.27 -1.55 113.55 114.90 2kvs h SER 67 Ca -0.01 0.09 0.04 0.00 -1.23 0.00 0.00 61.79 60.67 2kvs h SER 67 Cb 1.25 0.08 -0.04 0.00 -0.44 0.00 0.00 62.40 63.25 2kvs h SER 67 CO 0.13 0.11 0.45 -0.07 -0.53 0.00 0.00 176.83 176.92 2kvs h LEU 68 N 0.39 0.69 -0.98 2.23 -0.00 -1.62 0.11 115.31 116.14 2kvs h LEU 68 Ca 0.32 -0.01 0.00 0.00 -0.00 0.00 0.00 57.88 58.20 2kvs h LEU 68 Cb 0.43 -0.16 0.00 0.00 -0.00 0.00 0.00 40.66 40.93 2kvs h LEU 68 CO -0.34 0.47 0.00 -1.22 -0.00 0.00 0.00 178.44 177.35 2kvs n TYR 69 N -4.46 0.28 0.01 1.13 4.01 -0.61 -3.20 117.16 114.32 2kvs n TYR 69 Ca 0.09 -0.14 -0.01 0.00 -0.16 0.00 0.00 57.90 57.68 2kvs n TYR 69 Cb 0.15 0.00 -0.00 0.00 -0.31 0.00 0.00 39.34 39.18 2kvs n TYR 69 CO 0.00 0.00 0.00 -1.33 -0.46 0.00 0.00 176.86 175.07 2kvs n MET 70 N 0.23 0.03 0.15 -0.72 2.81 -0.39 -4.52 117.12 114.71 2kvs n MET 70 Ca 0.13 0.01 -0.14 0.00 -1.81 0.00 0.00 57.70 55.89 2kvs n MET 70 Cb 0.26 -0.28 -0.07 0.00 -0.71 0.00 0.00 33.22 32.42 2kvs n MET 70 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 2kvs h ALA 71 N -0.34 -0.38 -0.27 3.04 0.00 -1.02 -1.81 119.26 118.48 2kvs h ALA 71 Ca 0.00 -0.06 -0.03 0.00 0.00 0.00 0.00 54.91 54.82 2kvs h ALA 71 Cb 0.06 0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 2kvs h ALA 71 CO 0.00 -0.73 0.07 -0.97 0.00 0.00 0.00 179.25 177.62 2kvs h ASN 72 N -0.40 0.41 -0.87 0.00 -1.24 -1.69 -3.09 115.58 108.69 2kvs h ASN 72 Ca -0.01 -0.23 0.14 0.00 0.71 0.00 0.00 56.30 56.91 2kvs h ASN 72 Cb 0.36 -0.11 -0.09 0.00 0.73 0.00 0.00 38.32 39.21 2kvs h ASN 72 CO -0.01 0.53 0.47 0.25 -1.29 0.00 0.00 177.43 177.38 2kvs h LEU 73 N 0.27 0.60 0.68 0.34 7.12 -1.57 0.27 115.31 123.02 2kvs h LEU 73 Ca 0.09 0.08 -0.03 0.00 0.13 0.00 0.00 57.88 58.15 2kvs h LEU 73 Cb 0.28 -0.02 -0.00 0.00 -0.53 0.00 0.00 40.66 40.39 2kvs h LEU 73 CO 0.00 0.27 -0.41 -0.33 -0.13 0.00 0.00 178.44 177.83 2kvs h GLU 74 N 0.68 -0.99 0.00 1.25 4.39 -1.25 -3.13 114.58 115.53 2kvs h GLU 74 Ca 0.47 0.07 0.00 0.00 0.34 0.00 0.00 59.36 60.23 2kvs h GLU 74 Cb 0.63 0.22 0.00 0.00 -0.10 0.00 0.00 28.75 29.50 2kvs h GLU 74 CO -0.34 -0.66 0.00 1.58 -1.16 0.00 0.00 179.01 178.43 2kvs n HIS 75 N -5.02 0.00 0.24 4.33 -0.00 -0.99 -3.10 115.22 110.68 2kvs n HIS 75 Ca -0.13 0.00 0.09 0.00 0.46 0.00 0.00 57.72 58.15 2kvs n HIS 75 Cb 0.42 -0.47 0.60 0.00 -0.12 0.00 0.00 29.99 30.42 2kvs n HIS 75 CO 0.00 0.00 0.00 1.25 0.46 0.00 0.00 176.34 178.05 2kvs h HIS 76 N 0.00 0.00 0.06 1.57 6.17 -0.42 -3.27 115.15 119.26 2kvs h HIS 76 Ca 0.00 0.00 -0.00 0.00 0.71 0.00 0.00 60.37 61.08 2kvs h HIS 76 Cb 0.38 0.00 0.00 0.00 2.52 0.00 0.00 27.41 30.31 2kvs h HIS 76 CO 0.00 0.19 -0.03 0.45 0.71 0.00 0.00 177.93 179.25 2kvs h HIS 77 N 0.00 -0.07 -1.26 5.26 3.86 -1.66 -3.40 115.15 117.87 2kvs h HIS 77 Ca -0.00 -0.00 -0.52 0.00 -1.16 0.00 0.00 60.37 58.69 2kvs h HIS 77 Cb 0.42 0.02 -0.08 0.00 1.06 0.00 0.00 27.41 28.83 2kvs h HIS 77 CO 0.00 -0.04 1.26 -1.58 0.86 0.00 0.00 177.93 178.42 2kvs s HIS 78 N -1.71 2.28 0.51 2.45 5.04 -1.23 -5.00 115.29 117.63 2kvs s HIS 78 Ca -0.01 -0.30 -0.21 0.00 -1.54 0.00 0.00 55.06 53.00 2kvs s HIS 78 Cb 0.00 -4.51 -0.06 0.00 0.04 0.00 0.00 32.58 28.05 2kvs s HIS 78 CO 0.03 -1.94 1.17 -3.38 -2.34 0.00 0.00 174.74 168.28 2kvs s HIS 79 N 6.46 2.72 0.00 3.88 -3.43 -1.25 -4.83 115.29 118.83 2kvs s HIS 79 Ca 0.51 1.53 0.00 0.00 -0.80 0.00 0.00 55.06 56.30 2kvs s HIS 79 Cb -0.03 -3.38 0.00 0.00 -1.43 0.00 0.00 32.58 27.74 2kvs s HIS 79 CO -0.02 -1.67 0.00 1.58 -2.00 0.00 0.00 174.74 172.62