#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kvs h ALA 2 N 0.00 0.56 -3.34 -5.12 0.00 -2.05 -3.47 119.26 105.84 2kvs h ALA 2 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2kvs h ALA 2 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 2kvs h ALA 2 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.66 2kvs n GLY 3 N 1.33 2.31 2.88 0.00 0.00 -1.26 -5.13 105.19 105.32 2kvs n GLY 3 Ca 0.03 -2.07 -0.27 0.00 0.00 0.00 0.00 46.02 43.70 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 -0.89 2.58 0.00 1.61 2.15 -1.26 -4.97 116.67 115.89 2kvs s ASP 4 Ca 0.00 -0.54 0.21 0.00 0.43 0.00 0.00 52.55 52.65 2kvs s ASP 4 Cb 0.00 -0.85 0.58 0.00 -0.30 0.00 0.00 42.92 42.35 2kvs s ASP 4 CO 0.00 -0.17 1.48 -0.81 -0.17 0.00 0.00 175.17 175.50 2kvs n PRO 5 N 4.92 2.71 -0.06 4.34 -0.04 -1.26 -4.70 135.00 140.91 2kvs n PRO 5 Ca -0.12 -2.54 -0.16 0.00 -0.04 0.00 0.00 63.50 60.65 2kvs n PRO 5 Cb 0.48 -1.52 -0.14 0.00 -0.04 0.00 0.00 33.50 32.28 2kvs n PRO 5 CO 0.00 0.00 0.00 -1.33 -0.04 0.00 0.00 175.50 174.13 2kvs n MET 6 N 1.49 0.69 -0.28 0.54 2.81 -1.26 -4.27 117.12 116.84 2kvs n MET 6 Ca 0.22 0.19 0.20 0.00 -1.81 0.00 0.00 57.70 56.50 2kvs n MET 6 Cb 0.59 -1.64 0.51 0.00 -0.71 0.00 0.00 33.22 31.97 2kvs n MET 6 CO 0.00 0.00 0.00 1.79 1.51 0.00 0.00 175.97 179.27 2kvs h THR 7 N 0.02 0.63 0.34 2.03 1.35 -1.97 0.72 112.91 116.02 2kvs h THR 7 Ca -0.46 -0.14 0.00 0.00 -0.55 0.00 0.00 66.41 65.26 2kvs h THR 7 Cb 2.03 0.18 -0.03 0.00 -1.73 0.00 0.00 68.15 68.60 2kvs h THR 7 CO 0.03 0.08 -0.38 0.15 -0.25 0.00 0.00 175.52 175.14 2kvs h PHE 8 N 0.41 -1.05 -0.55 4.73 3.57 -1.93 0.10 116.94 122.23 2kvs h PHE 8 Ca 0.52 0.01 -0.07 0.00 3.53 0.00 0.00 57.97 61.96 2kvs h PHE 8 Cb 1.29 0.42 -0.02 0.00 2.79 0.00 0.00 35.95 40.42 2kvs h PHE 8 CO -0.00 -0.53 0.06 -0.92 -2.23 0.00 0.00 178.31 174.69 2kvs h TYR 9 N -0.76 0.99 0.00 0.41 3.20 -1.50 -1.56 116.97 117.75 2kvs h TYR 9 Ca -0.02 -0.15 -0.01 0.00 3.14 0.00 0.00 58.73 61.69 2kvs h TYR 9 Cb 0.70 -0.27 -0.00 0.00 1.54 0.00 0.00 36.73 38.70 2kvs h TYR 9 CO -0.24 0.89 -0.05 -0.97 -1.64 0.00 0.00 178.16 176.15 2kvs h ASN 10 N 0.81 0.00 0.00 -2.11 -1.24 -0.73 0.13 115.58 112.44 2kvs h ASN 10 Ca 0.16 0.00 -0.03 0.00 0.71 0.00 0.00 56.30 57.14 2kvs h ASN 10 Cb 0.45 0.00 -0.00 0.00 0.73 0.00 0.00 38.32 39.49 2kvs h ASN 10 CO 0.02 0.05 -0.30 0.15 -1.29 0.00 0.00 177.43 176.05 2kvs h PHE 11 N 0.00 0.00 0.00 0.67 3.57 -0.48 -3.39 116.94 117.31 2kvs h PHE 11 Ca -0.00 0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.48 2kvs h PHE 11 Cb 0.24 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 38.98 2kvs h PHE 11 CO 0.00 0.41 -0.09 0.97 -2.23 0.00 0.00 178.31 177.38 2kvs h ILE 12 N -1.00 0.27 -0.03 1.41 6.09 -1.12 -2.87 117.51 120.25 2kvs h ILE 12 Ca -0.05 -0.62 0.01 0.00 -1.37 0.00 0.00 64.86 62.83 2kvs h ILE 12 Cb 0.52 1.49 -0.00 0.00 0.47 0.00 0.00 36.82 39.29 2kvs h ILE 12 CO -0.03 0.08 0.04 0.00 -3.07 0.00 0.00 178.15 175.18 2kvs h MET 13 N 0.00 0.00 0.00 2.19 -0.00 -0.94 0.03 114.93 116.21 2kvs h MET 13 Ca -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 59.70 59.70 2kvs h MET 13 Cb 0.48 0.00 -0.00 0.00 -0.00 0.00 0.00 31.60 32.08 2kvs h MET 13 CO 0.01 0.00 -0.01 0.78 -0.00 0.00 0.00 176.91 177.69 2kvs h GLY 14 N 0.00 0.00 0.32 -3.00 0.00 -1.74 0.18 103.07 98.82 2kvs h GLY 14 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.34 2kvs h GLY 14 CO -0.00 0.00 -0.93 0.69 0.00 0.00 0.00 176.54 176.30 2kvs n PHE 15 N -3.34 0.03 0.11 5.60 3.01 -0.01 -4.31 117.46 118.54 2kvs n PHE 15 Ca -0.03 0.01 -0.01 0.00 1.01 0.00 0.00 57.45 58.43 2kvs n PHE 15 Cb 0.11 -0.14 -0.03 0.00 -0.01 0.00 0.00 39.48 39.41 2kvs n PHE 15 CO 0.00 0.00 0.00 0.37 1.01 0.00 0.00 176.76 178.14 2kvs h GLN 16 N 0.00 0.00 -0.98 -1.08 -0.00 -0.90 -3.27 115.11 108.88 2kvs h GLN 16 Ca 0.00 0.00 0.17 0.00 -0.00 0.00 0.00 58.65 58.82 2kvs h GLN 16 Cb 0.55 0.00 -0.17 0.00 0.00 0.00 0.00 27.48 27.86 2kvs h GLN 16 CO 0.00 0.71 -0.33 -1.71 0.00 0.00 0.00 178.83 177.50 2kvs n ASN 17 N -3.29 -0.52 -4.50 -0.69 5.15 -1.11 -4.63 115.26 105.68 2kvs n ASN 17 Ca 0.01 1.70 -0.28 0.00 -0.60 0.00 0.00 54.58 55.41 2kvs n ASN 17 Cb 0.82 -0.44 -0.09 0.00 -0.53 0.00 0.00 39.78 39.54 2kvs n ASN 17 CO 0.00 0.00 0.00 1.51 1.40 0.00 0.00 177.26 180.17 2kvs s ASP 18 N -5.31 3.41 -0.72 1.20 1.47 -1.26 -5.06 116.67 110.39 2kvs s ASP 18 Ca -0.14 -1.56 -0.26 0.00 1.18 0.00 0.00 52.55 51.77 2kvs s ASP 18 Cb 0.23 0.24 -0.06 0.00 -0.34 0.00 0.00 42.92 42.99 2kvs s ASP 18 CO 0.73 -0.76 2.09 0.20 0.68 0.00 0.00 175.17 178.11 2kvs s ASN 19 N -3.70 4.82 0.16 2.11 0.01 -1.26 -4.73 114.94 112.35 2kvs s ASN 19 Ca 0.21 0.07 0.07 0.00 -0.71 0.00 0.00 52.86 52.50 2kvs s ASN 19 Cb 0.05 -2.54 -0.04 0.00 0.41 0.00 0.00 41.25 39.13 2kvs s ASN 19 CO 0.11 -2.88 -0.14 0.42 -1.51 0.00 0.00 177.10 173.10 2kvs s THR 20 N 11.06 1.53 0.57 1.60 -4.23 -1.26 -5.02 115.64 119.88 2kvs s THR 20 Ca 0.78 -1.99 0.26 0.00 -1.18 0.00 0.00 61.69 59.56 2kvs s THR 20 Cb -0.11 -1.82 0.34 0.00 1.34 0.00 0.00 72.50 72.24 2kvs s THR 20 CO 0.12 -0.52 2.20 1.55 -0.54 0.00 0.00 174.62 177.42 2kvs h PRO 21 N 3.00 0.00 -0.01 3.99 0.13 -1.92 -2.09 132.00 135.10 2kvs h PRO 21 Ca -0.39 0.00 -0.24 0.00 -0.87 0.00 0.00 66.00 64.50 2kvs h PRO 21 Cb 1.21 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.34 2kvs h PRO 21 CO 0.57 0.00 -0.96 0.74 -0.23 0.00 0.00 178.00 178.12 2kvs h PHE 22 N 0.00 0.76 -0.16 1.56 0.04 -1.92 -3.22 116.94 114.01 2kvs h PHE 22 Ca 0.02 -0.41 0.04 0.00 2.80 0.00 0.00 57.97 60.43 2kvs h PHE 22 Cb 0.11 -0.09 -0.01 0.00 2.20 0.00 0.00 35.95 38.16 2kvs h PHE 22 CO 0.00 1.23 0.12 0.78 -0.60 0.00 0.00 178.31 179.84 2kvs h GLY 23 N 0.95 0.01 1.04 -1.45 0.00 -1.42 -1.55 103.07 100.65 2kvs h GLY 23 Ca -0.09 -0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.23 2kvs h GLY 23 CO 0.17 0.00 0.59 -2.22 0.00 0.00 0.00 176.54 175.09 2kvs h ILE 24 N 0.01 1.25 0.21 2.60 1.08 -1.55 0.14 117.51 121.26 2kvs h ILE 24 Ca 0.08 -0.52 -0.01 0.00 -0.39 0.00 0.00 64.86 64.01 2kvs h ILE 24 Cb 0.29 -0.11 0.00 0.00 -3.07 0.00 0.00 36.82 33.94 2kvs h ILE 24 CO -0.00 0.26 -0.10 0.25 -0.69 0.00 0.00 178.15 177.87 2kvs h LEU 25 N 1.30 -0.24 -0.85 1.44 7.12 -1.42 0.60 115.31 123.27 2kvs h LEU 25 Ca 0.34 -0.13 0.07 0.00 0.13 0.00 0.00 57.88 58.29 2kvs h LEU 25 Cb -0.09 0.06 -0.07 0.00 -0.53 0.00 0.00 40.66 40.04 2kvs h LEU 25 CO -0.07 -0.00 0.52 0.00 -0.13 0.00 0.00 178.44 178.76 2kvs h ALA 26 N 0.28 1.19 -0.41 1.25 0.00 -1.36 -0.68 119.26 119.53 2kvs h ALA 26 Ca -0.03 0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.85 2kvs h ALA 26 Cb 0.36 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 2kvs h ALA 26 CO 0.05 0.22 0.10 1.49 0.00 0.00 0.00 179.25 181.11 2kvs h GLU 27 N 0.92 0.65 -0.13 0.00 4.81 -0.87 -1.66 114.58 118.31 2kvs h GLU 27 Ca 0.39 -0.16 -0.09 0.00 -0.13 0.00 0.00 59.36 59.37 2kvs h GLU 27 Cb 0.24 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 29.52 2kvs h GLU 27 CO -0.20 0.67 -0.34 1.25 -0.73 0.00 0.00 179.01 179.67 2kvs h HIS 28 N 0.52 0.29 0.00 0.92 2.76 -0.13 -2.31 115.15 117.19 2kvs h HIS 28 Ca 0.13 -0.07 -0.13 0.00 -2.20 0.00 0.00 60.37 58.11 2kvs h HIS 28 Cb 0.31 -0.07 -0.02 0.00 1.55 0.00 0.00 27.41 29.19 2kvs h HIS 28 CO 0.02 0.56 -0.68 -0.39 -1.30 0.00 0.00 177.93 176.14 2kvs h VAL 29 N 0.22 0.91 0.00 5.26 -1.51 -1.13 -3.25 116.25 116.75 2kvs h VAL 29 Ca 0.03 -2.33 0.00 0.00 -1.23 0.00 0.00 66.70 63.17 2kvs h VAL 29 Cb 0.70 2.42 0.00 0.00 -2.13 0.00 0.00 31.29 32.29 2kvs h VAL 29 CO 0.05 0.52 0.00 -1.28 -1.23 0.00 0.00 177.57 175.63 2kvs h SER 30 N 0.00 0.00 0.23 4.19 0.87 -0.73 -2.90 113.55 115.21 2kvs h SER 30 Ca -0.03 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.53 2kvs h SER 30 Cb 1.46 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.42 2kvs h SER 30 CO 0.07 0.00 0.00 -0.62 -0.53 0.00 0.00 176.83 175.75 2kvs n GLU 31 N -2.59 0.29 -3.39 2.24 1.02 -1.09 -4.73 120.64 112.38 2kvs n GLU 31 Ca 0.01 0.11 -0.38 0.00 -0.02 0.00 0.00 57.16 56.88 2kvs n GLU 31 Cb 0.25 -1.50 -0.06 0.00 -0.02 0.00 0.00 31.44 30.11 2kvs n GLU 31 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 2kvs s ASP 32 N -2.45 6.87 0.00 1.62 2.15 -1.10 -4.97 116.67 118.80 2kvs s ASP 32 Ca 0.17 1.03 0.00 0.00 0.43 0.00 0.00 52.55 54.18 2kvs s ASP 32 Cb 0.11 -2.29 0.00 0.00 -0.30 0.00 0.00 42.92 40.43 2kvs s ASP 32 CO 0.23 0.25 0.00 0.29 -0.17 0.00 0.00 175.17 175.77 2kvs n LYS 33 N 2.12 0.79 -0.30 4.34 5.02 -1.26 -4.96 118.16 123.92 2kvs n LYS 33 Ca -0.12 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.17 2kvs n LYS 33 Cb 0.52 -0.76 0.00 0.00 -0.02 0.00 0.00 35.03 34.76 2kvs n LYS 33 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2kvs n ALA 34 N -1.75 1.59 -2.65 7.82 0.00 -1.26 -5.10 120.51 119.16 2kvs n ALA 34 Ca 0.00 -0.51 -0.40 0.00 0.00 0.00 0.00 53.44 52.54 2kvs n ALA 34 Cb 0.26 -0.19 -0.05 0.00 0.00 0.00 0.00 19.45 19.48 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 0.00 3.61 -1.17 0.00 5.36 -1.26 -4.97 117.98 119.55 2kvs s PHE 35 Ca 0.00 1.29 -0.22 0.00 -0.96 0.00 0.00 56.93 57.04 2kvs s PHE 35 Cb 0.00 -2.80 -0.06 0.00 -0.34 0.00 0.00 43.02 39.82 2kvs s PHE 35 CO 0.00 0.13 1.90 -1.25 -1.46 0.00 0.00 175.22 174.54 2kvs s PRO 36 N 0.61 2.74 0.20 10.12 0.04 -1.26 -4.66 135.00 142.79 2kvs s PRO 36 Ca 0.38 -1.19 0.18 0.00 0.04 0.00 0.00 61.00 60.41 2kvs s PRO 36 Cb -0.18 -5.27 0.01 0.00 0.04 0.00 0.00 34.50 29.10 2kvs s PRO 36 CO 0.19 -3.63 1.15 0.00 0.04 0.00 0.00 177.00 174.74 2kvs h ARG 37 N 9.59 0.00 0.00 4.56 3.08 -2.04 -3.48 114.38 126.10 2kvs h ARG 37 Ca 0.24 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.29 2kvs h ARG 37 Cb 0.94 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.99 2kvs h ARG 37 CO 1.26 0.26 0.00 1.28 -1.07 0.00 0.00 179.97 181.70 2kvs n LEU 38 N -2.97 0.00 -2.52 3.04 4.32 -1.26 -4.78 117.00 112.82 2kvs n LEU 38 Ca -0.03 0.00 -0.07 0.00 -0.02 0.00 0.00 56.01 55.90 2kvs n LEU 38 Cb 0.71 0.00 -0.00 0.00 -1.62 0.00 0.00 43.42 42.51 2kvs n LEU 38 CO 0.41 0.00 -0.07 -0.62 -1.22 0.00 0.00 177.39 175.88 2kvs n GLU 39 N 0.00 -2.65 -0.26 3.23 1.02 -1.26 -4.81 120.64 115.92 2kvs n GLU 39 Ca 0.00 0.28 0.12 0.00 -0.02 0.00 0.00 57.16 57.54 2kvs n GLU 39 Cb 0.00 -4.83 0.39 0.00 -0.02 0.00 0.00 31.44 26.98 2kvs n GLU 39 CO 0.00 0.00 0.00 1.05 1.18 0.00 0.00 177.13 179.36 2kvs h GLU 40 N -0.04 0.65 -6.46 3.49 4.11 -1.88 -3.35 114.58 111.10 2kvs h GLU 40 Ca -0.15 -0.04 -0.57 0.00 0.07 0.00 0.00 59.36 58.67 2kvs h GLU 40 Cb 1.11 -0.15 -0.07 0.00 0.50 0.00 0.00 28.75 30.14 2kvs h GLU 40 CO 0.18 0.43 0.83 1.03 0.07 0.00 0.00 179.01 181.54 2kvs s ARG 41 N -5.65 3.82 0.00 1.06 1.81 -1.26 -4.70 118.95 114.02 2kvs s ARG 41 Ca -0.10 0.67 0.00 0.00 -1.72 0.00 0.00 55.73 54.59 2kvs s ARG 41 Cb 0.22 -3.85 0.00 0.00 -0.45 0.00 0.00 34.95 30.87 2kvs s ARG 41 CO 0.79 -1.17 0.97 0.72 -0.68 0.00 0.00 175.30 175.92 2kvs n HIS 42 N 7.36 0.00 -0.02 -0.53 8.25 -1.26 -1.45 115.22 127.57 2kvs n HIS 42 Ca 0.11 0.00 -0.21 0.00 -0.26 0.00 0.00 57.72 57.36 2kvs n HIS 42 Cb 0.48 -0.47 -0.13 0.00 1.12 0.00 0.00 29.99 30.99 2kvs n HIS 42 CO 0.00 0.00 0.00 0.94 0.64 0.00 0.00 176.34 177.92 2kvs n GLN 43 N -1.47 0.73 0.31 -0.41 -0.06 -1.26 -4.29 117.38 110.94 2kvs n GLN 43 Ca 0.00 0.27 0.20 0.00 -2.00 0.00 0.00 57.00 55.47 2kvs n GLN 43 Cb 0.02 -1.68 0.97 0.00 -4.06 0.00 0.00 30.24 25.50 2kvs n GLN 43 CO 0.00 0.00 0.00 -0.39 -0.20 0.00 0.00 177.06 176.47 2kvs h VAL 44 N -0.01 0.01 -0.82 1.69 -1.51 -1.60 -2.37 116.25 111.64 2kvs h VAL 44 Ca -0.44 -0.24 0.17 0.00 -1.23 0.00 0.00 66.70 64.95 2kvs h VAL 44 Cb 1.97 1.24 -0.11 0.00 -2.13 0.00 0.00 31.29 32.26 2kvs h VAL 44 CO 0.04 0.00 0.34 0.40 -1.23 0.00 0.00 177.57 177.12 2kvs h ILE 45 N 0.00 0.59 -0.65 7.19 2.04 -1.74 0.37 117.51 125.31 2kvs h ILE 45 Ca -0.00 -0.15 0.08 0.00 1.00 0.00 0.00 64.86 65.79 2kvs h ILE 45 Cb 0.24 0.11 -0.07 0.00 -0.74 0.00 0.00 36.82 36.37 2kvs h ILE 45 CO 0.00 0.08 0.31 -0.09 0.00 0.00 0.00 178.15 178.45 2kvs h ARG 46 N 0.44 0.54 -0.14 2.37 2.43 -1.69 -0.96 114.38 117.36 2kvs h ARG 46 Ca 0.47 -0.03 -0.09 0.00 -0.81 0.00 0.00 59.98 59.52 2kvs h ARG 46 Cb 0.78 -0.12 0.00 0.00 -0.42 0.00 0.00 29.97 30.21 2kvs h ARG 46 CO -0.45 0.36 -0.26 0.00 -1.51 0.00 0.00 179.97 178.10 2kvs h ALA 47 N 1.39 0.22 -0.21 2.80 0.00 -1.31 -2.88 119.26 119.26 2kvs h ALA 47 Ca 0.31 -0.39 0.03 0.00 0.00 0.00 0.00 54.91 54.86 2kvs h ALA 47 Cb 0.31 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.04 2kvs h ALA 47 CO -0.25 0.21 0.06 -0.92 0.00 0.00 0.00 179.25 178.34 2kvs h TYR 48 N 0.02 0.10 -0.48 0.00 3.20 -0.67 -1.91 116.97 117.24 2kvs h TYR 48 Ca 0.01 0.01 -0.06 0.00 3.14 0.00 0.00 58.73 61.83 2kvs h TYR 48 Cb 0.84 -0.01 -0.02 0.00 1.54 0.00 0.00 36.73 39.08 2kvs h TYR 48 CO 0.10 0.04 0.05 -0.39 -1.64 0.00 0.00 178.16 176.32 2kvs h VAL 49 N 0.15 1.25 0.00 1.81 -1.51 -1.28 -2.87 116.25 113.80 2kvs h VAL 49 Ca 0.10 -0.97 -0.03 0.00 -1.23 0.00 0.00 66.70 64.56 2kvs h VAL 49 Cb 0.08 0.95 -0.00 0.00 -2.13 0.00 0.00 31.29 30.19 2kvs h VAL 49 CO -0.11 0.34 -0.14 0.24 -1.23 0.00 0.00 177.57 176.67 2kvs h MET 50 N 0.67 0.00 0.00 5.19 2.86 -1.29 0.17 114.93 122.53 2kvs h MET 50 Ca 0.14 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.78 2kvs h MET 50 Cb 0.43 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.09 2kvs h MET 50 CO 0.01 0.14 0.00 0.45 1.06 0.00 0.00 176.91 178.57 2kvs n SER 51 N -4.34 0.00 0.00 1.22 2.88 -0.74 -4.08 113.62 108.56 2kvs n SER 51 Ca -0.03 0.26 0.00 0.00 -1.33 0.00 0.00 58.87 57.77 2kvs n SER 51 Cb 0.21 -0.39 0.00 0.00 -0.75 0.00 0.00 64.21 63.28 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 -1.39 0.13 -4.76 -3.46 3.02 -0.63 -5.08 115.26 103.10 2kvs n ASN 52 Ca 0.06 0.00 -0.41 0.00 -0.03 0.00 0.00 54.58 54.20 2kvs n ASN 52 Cb 0.17 0.00 -0.02 0.00 -0.61 0.00 0.00 39.78 39.32 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 -1.99 3.07 -0.24 3.10 2.02 0.50 -4.96 117.35 118.85 2kvs s TYR 53 Ca 0.00 1.24 0.07 0.00 -0.37 0.00 0.00 57.07 58.01 2kvs s TYR 53 Cb 0.00 -3.72 -0.20 0.00 -0.40 0.00 0.00 41.96 37.64 2kvs s TYR 53 CO 0.00 -2.16 -0.12 -2.37 -1.57 0.00 0.00 175.55 169.33 2kvs n THR 54 N 1.66 1.46 -2.50 -0.71 5.66 -1.26 -4.85 114.28 113.74 2kvs n THR 54 Ca 0.03 -0.67 -0.33 0.00 -3.05 0.00 0.00 64.05 60.04 2kvs n THR 54 Cb 0.41 -1.11 -0.04 0.00 -1.55 0.00 0.00 70.33 68.04 2kvs n THR 54 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 175.07 171.40 2kvs s ASP 55 N -6.19 6.61 0.11 1.09 2.15 -1.26 -4.99 116.67 114.19 2kvs s ASP 55 Ca -0.27 1.66 -0.20 0.00 0.43 0.00 0.00 52.55 54.17 2kvs s ASP 55 Cb 0.08 -2.52 -0.08 0.00 -0.30 0.00 0.00 42.92 40.09 2kvs s ASP 55 CO 0.68 -0.59 1.76 -0.74 -0.17 0.00 0.00 175.17 176.11 2kvs h HIS 56 N 1.21 0.17 -0.35 -5.34 2.76 -2.00 -3.08 115.15 108.52 2kvs h HIS 56 Ca -0.48 0.01 -0.06 0.00 -2.20 0.00 0.00 60.37 57.64 2kvs h HIS 56 Cb 1.19 -0.05 -0.02 0.00 1.55 0.00 0.00 27.41 30.08 2kvs h HIS 56 CO 0.62 0.10 -0.04 1.96 -1.30 0.00 0.00 177.93 179.28 2kvs h GLN 57 N 0.19 0.56 -0.71 5.26 1.08 -1.95 0.47 115.11 120.02 2kvs h GLN 57 Ca 0.06 -0.14 -0.00 0.00 -1.45 0.00 0.00 58.65 57.12 2kvs h GLN 57 Cb -0.01 -0.07 -0.03 0.00 -0.05 0.00 0.00 27.48 27.31 2kvs h GLN 57 CO -0.03 0.61 0.43 -0.07 -0.95 0.00 0.00 178.83 178.82 2kvs h LEU 58 N 0.53 0.85 0.14 1.46 3.38 -1.87 -0.11 115.31 119.70 2kvs h LEU 58 Ca 0.11 -0.06 -0.30 0.00 0.09 0.00 0.00 57.88 57.71 2kvs h LEU 58 Cb 0.40 -0.22 0.03 0.00 0.09 0.00 0.00 40.66 40.95 2kvs h LEU 58 CO 0.02 0.67 -1.30 0.40 0.09 0.00 0.00 178.44 178.31 2kvs h ILE 59 N 0.97 1.34 0.53 1.22 2.04 -1.41 -3.28 117.51 118.92 2kvs h ILE 59 Ca 0.25 -2.67 -0.03 0.00 1.00 0.00 0.00 64.86 63.41 2kvs h ILE 59 Cb -0.03 2.84 0.01 0.00 -0.74 0.00 0.00 36.82 38.90 2kvs h ILE 59 CO -0.05 0.80 -0.25 -0.08 0.00 0.00 0.00 178.15 178.57 2kvs h GLU 60 N 0.19 -0.68 -0.72 2.37 4.57 0.14 -0.73 114.58 119.72 2kvs h GLU 60 Ca -0.19 0.05 0.13 0.00 -1.18 0.00 0.00 59.36 58.16 2kvs h GLU 60 Cb 1.99 0.15 -0.09 0.00 -0.16 0.00 0.00 28.75 30.65 2kvs h GLU 60 CO 0.24 -0.44 0.29 1.15 -1.18 0.00 0.00 179.01 179.07 2kvs h THR 61 N -0.74 0.70 -0.13 0.32 2.02 -1.18 -1.64 112.91 112.25 2kvs h THR 61 Ca -0.07 -0.16 -0.00 0.00 0.77 0.00 0.00 66.41 66.95 2kvs h THR 61 Cb 0.56 0.21 -0.01 0.00 -1.74 0.00 0.00 68.15 67.17 2kvs h THR 61 CO 0.12 0.08 0.06 0.74 0.37 0.00 0.00 175.52 176.90 2kvs h THR 62 N 0.45 1.12 -0.83 3.16 2.02 -1.55 0.10 112.91 117.38 2kvs h THR 62 Ca 0.38 -0.34 0.04 0.00 0.77 0.00 0.00 66.41 67.27 2kvs h THR 62 Cb 0.54 1.10 -0.05 0.00 -1.74 0.00 0.00 68.15 68.01 2kvs h THR 62 CO -0.37 0.11 0.55 0.78 0.37 0.00 0.00 175.52 176.95 2kvs h ASN 63 N 0.09 0.88 0.01 4.18 2.35 -0.53 0.12 115.58 122.67 2kvs h ASN 63 Ca 0.04 -0.01 -0.00 0.00 -0.55 0.00 0.00 56.30 55.79 2kvs h ASN 63 Cb 0.11 -0.20 0.00 0.00 0.05 0.00 0.00 38.32 38.28 2kvs h ASN 63 CO -0.01 0.61 -0.00 -0.09 -1.65 0.00 0.00 177.43 176.29 2kvs h ARG 64 N 1.03 -0.01 0.66 0.81 2.43 -1.17 -3.21 114.38 114.91 2kvs h ARG 64 Ca 0.33 0.00 -0.03 0.00 -0.81 0.00 0.00 59.98 59.47 2kvs h ARG 64 Cb 0.04 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 29.59 2kvs h ARG 64 CO -0.10 0.66 -0.40 0.00 -1.51 0.00 0.00 179.97 178.63 2kvs h ALA 65 N 0.29 -1.01 -0.69 2.80 0.00 -0.48 -1.91 119.26 118.25 2kvs h ALA 65 Ca -0.00 -0.20 0.14 0.00 0.00 0.00 0.00 54.91 54.84 2kvs h ALA 65 Cb 0.67 0.48 -0.10 0.00 0.00 0.00 0.00 17.79 18.85 2kvs h ALA 65 CO 0.00 -1.08 0.20 0.82 0.00 0.00 0.00 179.25 179.18 2kvs h ILE 66 N -0.99 0.60 0.94 0.00 1.08 -0.95 0.47 117.51 118.67 2kvs h ILE 66 Ca -0.08 -0.11 -0.05 0.00 -0.39 0.00 0.00 64.86 64.23 2kvs h ILE 66 Cb 0.80 0.25 0.01 0.00 -3.07 0.00 0.00 36.82 34.81 2kvs h ILE 66 CO 0.09 0.06 -0.46 -1.28 -0.69 0.00 0.00 178.15 175.87 2kvs h SER 67 N 0.32 -1.09 0.13 1.72 0.87 -1.53 0.48 113.55 114.45 2kvs h SER 67 Ca 0.38 0.04 0.00 0.00 -1.23 0.00 0.00 61.79 60.98 2kvs h SER 67 Cb 0.60 0.28 0.00 0.00 -0.44 0.00 0.00 62.40 62.84 2kvs h SER 67 CO -0.44 -0.77 0.00 0.18 -0.53 0.00 0.00 176.83 175.27 2kvs n LEU 68 N -5.64 0.00 -0.06 2.23 4.32 -0.73 -1.09 117.00 116.03 2kvs n LEU 68 Ca -0.16 0.10 -0.04 0.00 -0.02 0.00 0.00 56.01 55.89 2kvs n LEU 68 Cb 0.51 -0.10 -0.01 0.00 -1.62 0.00 0.00 43.42 42.19 2kvs n LEU 68 CO 0.40 -0.04 -0.31 0.00 -1.22 0.00 0.00 177.39 176.23 2kvs n TYR 69 N -1.10 0.57 -0.02 -1.77 9.36 0.16 -3.92 117.16 120.44 2kvs n TYR 69 Ca 0.13 0.25 -0.02 0.00 3.32 0.00 0.00 57.90 61.57 2kvs n TYR 69 Cb 0.10 -0.59 0.23 0.00 -0.63 0.00 0.00 39.34 38.44 2kvs n TYR 69 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 2kvs h MET 70 N -0.75 0.57 -0.00 2.98 -0.00 -0.88 -1.09 114.93 115.77 2kvs h MET 70 Ca 0.00 -0.16 0.00 0.00 -0.00 0.00 0.00 59.70 59.54 2kvs h MET 70 Cb 0.45 -0.06 0.00 0.00 -0.00 0.00 0.00 31.60 31.99 2kvs h MET 70 CO 0.00 0.67 -0.00 0.00 -0.00 0.00 0.00 176.91 177.58 2kvs n ALA 71 N -2.48 2.67 -0.12 -3.00 0.00 -0.25 -3.26 120.51 114.06 2kvs n ALA 71 Ca 0.01 -0.20 -0.24 0.00 0.00 0.00 0.00 53.44 53.01 2kvs n ALA 71 Cb 0.32 -1.51 -0.10 0.00 0.00 0.00 0.00 19.45 18.17 2kvs n ALA 71 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 2kvs n ASN 72 N -1.01 1.89 0.21 0.00 2.85 -0.66 -4.11 115.26 114.43 2kvs n ASN 72 Ca 0.23 0.18 -0.11 0.00 -0.11 0.00 0.00 54.58 54.77 2kvs n ASN 72 Cb 0.13 -0.64 -0.06 0.00 1.24 0.00 0.00 39.78 40.45 2kvs n ASN 72 CO 0.00 0.00 0.00 0.25 -2.11 0.00 0.00 177.26 175.40 2kvs h LEU 73 N -0.65 -0.81 -0.87 1.20 7.12 -1.28 0.22 115.31 120.23 2kvs h LEU 73 Ca -0.61 0.06 -0.06 0.00 0.13 0.00 0.00 57.88 57.40 2kvs h LEU 73 Cb 1.64 0.26 -0.03 0.00 -0.53 0.00 0.00 40.66 42.00 2kvs h LEU 73 CO -0.30 -0.42 0.16 1.05 -0.13 0.00 0.00 178.44 178.80 2kvs h GLU 74 N -0.65 1.00 -0.35 1.25 -0.00 -1.83 -0.85 114.58 113.14 2kvs h GLU 74 Ca -0.05 -0.22 -0.02 0.00 -0.00 0.00 0.00 59.36 59.07 2kvs h GLU 74 Cb 0.55 -0.14 -0.02 0.00 -0.00 0.00 0.00 28.75 29.14 2kvs h GLU 74 CO -0.00 0.88 0.11 1.25 -0.00 0.00 0.00 179.01 181.25 2kvs h HIS 75 N 0.95 0.50 0.00 2.06 2.76 -1.69 0.73 115.15 120.46 2kvs h HIS 75 Ca 0.20 -0.02 -0.07 0.00 -2.20 0.00 0.00 60.37 58.28 2kvs h HIS 75 Cb 0.33 -0.16 -0.01 0.00 1.55 0.00 0.00 27.41 29.12 2kvs h HIS 75 CO 0.02 0.42 -0.35 1.25 -1.30 0.00 0.00 177.93 177.98 2kvs h HIS 76 N 0.50 0.00 -0.01 5.26 -0.00 0.23 -2.75 115.15 118.37 2kvs h HIS 76 Ca 0.12 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.49 2kvs h HIS 76 Cb 0.15 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 27.56 2kvs h HIS 76 CO 0.01 0.35 -0.05 1.58 -0.00 0.00 0.00 177.93 179.81 2kvs n HIS 77 N -3.35 0.00 -4.54 5.26 -0.00 -0.40 -4.88 115.22 107.31 2kvs n HIS 77 Ca 0.01 0.00 -0.28 0.00 -0.00 0.00 0.00 57.72 57.45 2kvs n HIS 77 Cb 0.56 -0.03 -0.10 0.00 -0.00 0.00 0.00 29.99 30.43 2kvs n HIS 77 CO 0.00 0.00 0.00 -1.01 -0.00 0.00 0.00 176.34 175.33 2kvs s HIS 78 N -2.11 2.43 0.27 1.57 4.02 0.11 -5.05 115.29 116.53 2kvs s HIS 78 Ca 0.35 -0.70 -0.04 0.00 1.02 0.00 0.00 55.06 55.69 2kvs s HIS 78 Cb 0.21 -1.79 -0.02 0.00 -1.02 0.00 0.00 32.58 29.96 2kvs s HIS 78 CO 0.38 0.35 0.35 -1.01 1.02 0.00 0.00 174.74 175.83 2kvs s HIS 79 N -2.72 0.97 0.00 1.40 3.76 -1.26 -4.88 115.29 112.57 2kvs s HIS 79 Ca 0.32 -1.20 0.00 0.00 -0.15 0.00 0.00 55.06 54.03 2kvs s HIS 79 Cb 0.07 -0.22 0.00 0.00 1.11 0.00 0.00 32.58 33.55 2kvs s HIS 79 CO 0.17 -0.92 0.00 -2.39 -0.85 0.00 0.00 174.74 170.75