#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k3v s ASP 2 N 0.00 3.77 0.57 0.00 1.01 -1.26 -5.12 116.67 115.65 2k3v s ASP 2 Ca 0.00 -0.37 -0.17 0.00 0.71 0.00 0.00 52.55 52.72 2k3v s ASP 2 Cb 0.00 -0.64 -0.04 0.00 1.01 0.00 0.00 42.92 43.24 2k3v s ASP 2 CO 0.00 0.29 1.07 -1.83 0.21 0.00 0.00 175.17 174.91 2k3v s GLU 3 N -1.16 3.34 0.83 8.23 -1.05 -1.26 -4.76 118.70 122.87 2k3v s GLU 3 Ca 0.13 1.35 -0.13 0.00 -0.15 0.00 0.00 54.97 56.17 2k3v s GLU 3 Cb -0.10 -2.03 0.10 0.00 -0.44 0.00 0.00 34.13 31.65 2k3v s GLU 3 CO 0.03 -0.81 1.20 0.95 0.95 0.00 0.00 175.26 177.58 2k3v s THR 4 N -2.20 2.03 0.21 1.83 -4.23 -1.26 -1.85 115.64 110.16 2k3v s THR 4 Ca 0.67 0.01 -0.10 0.00 -1.18 0.00 0.00 61.69 61.09 2k3v s THR 4 Cb -0.18 -2.35 0.15 0.00 1.34 0.00 0.00 72.50 71.46 2k3v s THR 4 CO 0.32 -0.01 1.85 0.25 -0.54 0.00 0.00 174.62 176.49 2k3v h LEU 5 N -1.08 0.91 -0.76 4.79 5.85 -1.49 -1.22 115.31 122.32 2k3v h LEU 5 Ca -0.46 -0.07 0.08 0.00 0.84 0.00 0.00 57.88 58.27 2k3v h LEU 5 Cb 1.29 -0.23 -0.06 0.00 0.37 0.00 0.00 40.66 42.03 2k3v h LEU 5 CO 0.45 0.71 0.43 0.00 -0.34 0.00 0.00 178.44 179.69 2k3v h ALA 6 N 1.24 1.05 0.90 1.25 0.00 -1.86 -1.62 119.26 120.22 2k3v h ALA 6 Ca 0.27 0.02 -0.04 0.00 0.00 0.00 0.00 54.91 55.16 2k3v h ALA 6 Cb -0.03 -0.13 0.01 0.00 0.00 0.00 0.00 17.79 17.64 2k3v h ALA 6 CO -0.05 0.09 -0.43 1.49 0.00 0.00 0.00 179.25 180.34 2k3v h GLU 7 N 0.75 -1.17 -1.16 0.00 4.81 -1.65 0.51 114.58 116.68 2k3v h GLU 7 Ca 0.35 0.08 0.38 0.00 -0.13 0.00 0.00 59.36 60.04 2k3v h GLU 7 Cb 0.27 0.27 -0.14 0.00 0.63 0.00 0.00 28.75 29.78 2k3v h GLU 7 CO -0.22 -0.78 0.72 0.35 -0.73 0.00 0.00 179.01 178.35 2k3v h PHE 8 N -1.29 0.68 -0.06 0.92 3.57 -0.92 1.46 116.94 121.30 2k3v h PHE 8 Ca -0.12 0.03 -0.24 0.00 3.53 0.00 0.00 57.97 61.17 2k3v h PHE 8 Cb 0.93 -0.17 0.01 0.00 2.79 0.00 0.00 35.95 39.51 2k3v h PHE 8 CO -0.00 -0.20 -0.90 0.45 -2.23 0.00 0.00 178.31 175.43 2k3v h HIS 9 N 0.17 0.93 0.16 0.41 3.86 -0.98 -3.20 115.15 116.50 2k3v h HIS 9 Ca 0.77 -0.46 0.01 0.00 -1.16 0.00 0.00 60.37 59.54 2k3v h HIS 9 Cb 2.17 -0.12 -0.03 0.00 1.06 0.00 0.00 27.41 30.49 2k3v h HIS 9 CO -0.01 1.28 -0.24 0.28 0.86 0.00 0.00 177.93 180.10 2k3v h VAL 10 N 0.41 0.46 0.00 2.45 2.07 0.42 0.15 116.25 122.21 2k3v h VAL 10 Ca -0.08 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.44 2k3v h VAL 10 Cb 1.53 0.46 0.00 0.00 -1.52 0.00 0.00 31.29 31.76 2k3v h VAL 10 CO 0.17 0.00 0.36 -0.08 0.02 0.00 0.00 177.57 178.04 2k3v h GLU 11 N -0.47 0.00 -0.51 1.57 4.81 -1.05 1.54 114.58 120.47 2k3v h GLU 11 Ca 0.02 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.25 2k3v h GLU 11 Cb 0.48 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.86 2k3v h GLU 11 CO -0.11 0.00 0.00 -1.33 -0.73 0.00 0.00 179.01 176.84 2k3v n MET 12 N -2.84 4.06 0.00 1.92 2.81 0.47 -4.89 117.12 118.65 2k3v n MET 12 Ca -0.02 -2.98 0.00 0.00 -1.81 0.00 0.00 57.70 52.89 2k3v n MET 12 Cb 0.40 -2.03 0.00 0.00 -0.71 0.00 0.00 33.22 30.88 2k3v n MET 12 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2k3v n GLY 13 N 0.45 -2.11 0.00 3.03 0.00 0.49 -5.03 105.19 102.02 2k3v n GLY 13 Ca 0.25 0.68 0.00 0.00 0.00 0.00 0.00 46.02 46.95 2k3v n GLY 13 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2k3v n GLY 14 N 0.00 -1.09 0.19 -0.02 0.00 0.72 -4.91 105.19 100.08 2k3v n GLY 14 Ca 0.00 -1.19 0.14 0.00 0.00 0.00 0.00 46.02 44.97 2k3v n GLY 14 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2k3v n GLU 16 N -2.65 1.34 0.18 0.00 4.71 -1.26 -3.01 120.64 119.97 2k3v n GLU 16 Ca 0.03 -0.43 0.06 0.00 -0.01 0.00 0.00 57.16 56.81 2k3v n GLU 16 Cb 0.34 -1.22 0.30 0.00 -1.01 0.00 0.00 31.44 29.85 2k3v n GLU 16 CO 0.00 0.00 0.00 -0.97 0.09 0.00 0.00 177.13 176.25 2k3v h ASN 17 N 0.65 0.00 0.00 1.62 -1.24 -1.79 -3.32 115.58 111.50 2k3v h ASN 17 Ca 0.00 0.00 -0.12 0.00 0.71 0.00 0.00 56.30 56.89 2k3v h ASN 17 Cb 0.29 0.00 -0.22 0.00 0.73 0.00 0.00 38.32 39.13 2k3v h ASN 17 CO 0.02 0.37 -0.63 0.00 -1.29 0.00 0.00 177.43 175.91 2k3v s HIS 19 N 0.00 -0.40 -0.30 0.00 3.76 -1.16 -4.86 115.29 112.33 2k3v s HIS 19 Ca 0.15 0.93 -0.27 0.00 -0.15 0.00 0.00 55.06 55.72 2k3v s HIS 19 Cb 0.17 -0.04 0.01 0.00 1.11 0.00 0.00 32.58 33.84 2k3v s HIS 19 CO -0.08 -0.33 0.97 0.00 -0.85 0.00 0.00 174.74 174.45 2k3v s ALA 20 N 2.25 3.54 -1.58 -1.40 0.00 -1.26 -3.72 121.76 119.58 2k3v s ALA 20 Ca -0.00 -0.15 -0.17 0.00 0.00 0.00 0.00 51.96 51.64 2k3v s ALA 20 Cb -0.12 -3.52 0.15 0.00 0.00 0.00 0.00 23.12 19.63 2k3v s ALA 20 CO -0.08 -1.32 0.69 -3.47 0.00 0.00 0.00 175.76 171.58 2k3v n ASP 21 N 6.55 -3.19 -3.60 0.00 -0.08 -1.26 -0.27 116.55 114.69 2k3v n ASP 21 Ca 0.09 -0.86 -0.23 0.00 -1.51 0.00 0.00 54.79 52.28 2k3v n ASP 21 Cb 0.47 -2.63 0.04 0.00 2.34 0.00 0.00 41.12 41.34 2k3v n ASP 21 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2k3v n GLY 22 N -1.28 -0.65 2.39 0.27 0.00 -1.24 -4.97 105.19 99.71 2k3v n GLY 22 Ca 0.07 0.30 -0.23 0.00 0.00 0.00 0.00 46.02 46.16 2k3v n GLY 22 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2k3v n GLU 23 N -4.04 0.41 -1.67 1.61 2.13 0.63 -5.11 120.64 114.60 2k3v n GLU 23 Ca -0.20 -2.98 -0.64 0.00 0.66 0.00 0.00 57.16 53.99 2k3v n GLU 23 Cb 0.64 -1.50 -0.09 0.00 0.27 0.00 0.00 31.44 30.76 2k3v n GLU 23 CO 0.00 0.00 0.00 -2.30 -0.41 0.00 0.00 177.13 174.42 2k3v n PRO 24 N 2.35 0.09 -0.80 5.31 -0.02 -1.26 -4.36 135.00 136.31 2k3v n PRO 24 Ca 0.25 0.03 -0.33 0.00 -2.02 0.00 0.00 63.50 61.43 2k3v n PRO 24 Cb 0.51 -1.55 0.12 0.00 -0.02 0.00 0.00 33.50 32.56 2k3v n PRO 24 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 2k3v n SER 25 N 3.29 -2.66 -2.16 2.55 2.88 -1.26 -4.90 113.62 111.35 2k3v n SER 25 Ca 0.27 0.22 -0.29 0.00 -1.33 0.00 0.00 58.87 57.75 2k3v n SER 25 Cb -0.00 -1.09 0.04 0.00 -0.75 0.00 0.00 64.21 62.42 2k3v n SER 25 CO 0.00 0.00 0.00 2.29 -1.23 0.00 0.00 175.04 176.10 2k3v n LYS 26 N -1.12 3.24 0.13 -1.46 2.85 -1.26 -4.64 118.16 115.90 2k3v n LYS 26 Ca 0.04 -3.82 0.00 0.00 -1.05 0.00 0.00 58.31 53.48 2k3v n LYS 26 Cb 0.56 -2.28 0.00 0.00 -0.65 0.00 0.00 35.03 32.66 2k3v n LYS 26 CO 0.00 0.00 0.00 -0.40 -0.05 0.00 0.00 177.40 176.95 2k3v n ASP 27 N -0.79 -1.17 0.00 -5.58 5.68 -1.26 -5.06 116.55 108.38 2k3v n ASP 27 Ca 0.52 0.48 0.00 0.00 -0.50 0.00 0.00 54.79 55.28 2k3v n ASP 27 Cb 0.83 1.24 0.00 0.00 -1.14 0.00 0.00 41.12 42.06 2k3v n ASP 27 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2k3v n GLY 28 N 0.51 1.89 0.05 6.12 0.00 -1.26 -4.98 105.19 107.51 2k3v n GLY 28 Ca 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.02 2k3v n GLY 28 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2k3v h ALA 29 N 0.00 0.00 -0.98 4.61 0.00 -1.97 -2.26 119.26 118.66 2k3v h ALA 29 Ca 0.00 -0.04 0.26 0.00 0.00 0.00 0.00 54.91 55.12 2k3v h ALA 29 Cb 0.00 0.04 -0.18 0.00 0.00 0.00 0.00 17.79 17.65 2k3v h ALA 29 CO 0.00 0.04 -0.01 -0.92 0.00 0.00 0.00 179.25 178.37 2k3v h TYR 30 N -0.92 -0.11 0.05 0.00 3.20 -2.00 0.39 116.97 117.58 2k3v h TYR 30 Ca 0.00 0.07 -0.00 0.00 3.14 0.00 0.00 58.73 61.94 2k3v h TYR 30 Cb 0.04 0.20 0.00 0.00 1.54 0.00 0.00 36.73 38.52 2k3v h TYR 30 CO -0.02 -0.42 -0.02 1.05 -1.64 0.00 0.00 178.16 177.10 2k3v h GLU 31 N 0.01 -0.06 -1.39 1.82 4.11 -1.92 -2.98 114.58 114.17 2k3v h GLU 31 Ca 0.58 0.00 0.40 0.00 0.07 0.00 0.00 59.36 60.41 2k3v h GLU 31 Cb 1.15 0.01 -0.06 0.00 0.50 0.00 0.00 28.75 30.36 2k3v h GLU 31 CO -0.92 0.38 1.02 0.35 0.07 0.00 0.00 179.01 179.91 2k3v h PHE 32 N -0.53 0.00 -0.92 2.06 3.57 0.28 1.05 116.94 122.45 2k3v h PHE 32 Ca -0.01 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.49 2k3v h PHE 32 Cb 0.47 0.00 -0.04 0.00 2.79 0.00 0.00 35.95 39.17 2k3v h PHE 32 CO 0.08 0.00 0.54 0.93 -2.23 0.00 0.00 178.31 177.63 2k3v h GLU 33 N 0.00 1.26 -1.11 1.11 4.39 -0.76 -1.92 114.58 117.55 2k3v h GLU 33 Ca 0.66 -0.12 0.32 0.00 0.34 0.00 0.00 59.36 60.55 2k3v h GLU 33 Cb 2.69 -0.26 -0.11 0.00 -0.10 0.00 0.00 28.75 30.97 2k3v h GLU 33 CO -0.01 0.89 0.71 1.96 -1.16 0.00 0.00 179.01 181.40 2k3v h GLN 34 N 1.27 0.30 -1.99 2.33 1.08 0.11 0.26 115.11 118.47 2k3v h GLN 34 Ca 0.33 -0.02 -0.33 0.00 -1.45 0.00 0.00 58.65 57.18 2k3v h GLN 34 Cb -0.04 -0.07 -0.12 0.00 -0.05 0.00 0.00 27.48 27.21 2k3v h GLN 34 CO -0.06 0.20 -0.01 0.00 -0.95 0.00 0.00 178.83 178.01 2k3v n GLN 36 N 1.69 0.86 0.00 0.00 7.27 0.90 -4.48 117.38 123.62 2k3v n GLN 36 Ca 0.44 -2.50 0.00 0.00 0.07 0.00 0.00 57.00 55.01 2k3v n GLN 36 Cb 0.74 -1.35 0.00 0.00 2.41 0.00 0.00 30.24 32.04 2k3v n GLN 36 CO 0.00 0.00 0.00 0.45 0.07 0.00 0.00 177.06 177.58 2k3v n SER 37 N 0.99 0.00 0.03 1.69 2.88 -1.26 -4.81 113.62 113.14 2k3v n SER 37 Ca 0.15 0.00 0.08 0.00 -1.33 0.00 0.00 58.87 57.76 2k3v n SER 37 Cb 0.63 0.25 0.33 0.00 -0.75 0.00 0.00 64.21 64.67 2k3v n SER 37 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2k3v n HIS 39 N -1.69 0.00 -0.19 0.00 -0.00 -1.26 -5.17 115.22 106.91 2k3v n HIS 39 Ca 0.03 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.75 2k3v n HIS 39 Cb 0.16 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 30.15 2k3v n HIS 39 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 2k3v n GLY 40 N 4.59 -0.04 3.60 -1.41 0.00 -1.26 -5.04 105.19 105.63 2k3v n GLY 40 Ca 0.00 -1.10 -0.30 0.00 0.00 0.00 0.00 46.02 44.63 2k3v n GLY 40 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2k3v s SER 41 N -4.00 4.52 0.29 1.61 1.04 -1.26 -4.41 113.70 111.49 2k3v s SER 41 Ca 0.00 -0.34 -0.00 0.00 0.48 0.00 0.00 55.95 56.08 2k3v s SER 41 Cb 0.00 -0.91 0.49 0.00 0.10 0.00 0.00 66.02 65.70 2k3v s SER 41 CO 0.00 0.18 1.89 -0.07 0.98 0.00 0.00 173.24 176.22 2k3v h LEU 42 N 3.57 0.96 -0.78 2.42 3.38 -1.95 0.62 115.31 123.53 2k3v h LEU 42 Ca -0.49 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.50 2k3v h LEU 42 Cb 1.17 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 41.72 2k3v h LEU 42 CO 0.54 0.60 0.00 0.00 0.09 0.00 0.00 178.44 179.67 2k3v n ALA 43 N -2.38 1.23 -0.67 1.53 0.00 -1.26 -0.01 120.51 118.94 2k3v n ALA 43 Ca 0.15 0.10 0.08 0.00 0.00 0.00 0.00 53.44 53.77 2k3v n ALA 43 Cb 0.21 -1.24 0.27 0.00 0.00 0.00 0.00 19.45 18.69 2k3v n ALA 43 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 2k3v n GLU 44 N -1.99 3.30 -2.31 0.00 4.07 0.21 -4.94 120.64 118.99 2k3v n GLU 44 Ca 0.00 -2.67 -0.08 0.00 -0.06 0.00 0.00 57.16 54.35 2k3v n GLU 44 Cb 0.08 -1.74 -0.01 0.00 -0.06 0.00 0.00 31.44 29.71 2k3v n GLU 44 CO 0.00 0.00 0.00 -1.33 -0.06 0.00 0.00 177.13 175.74 2k3v n MET 45 N 0.30 1.39 -0.46 5.31 2.81 0.98 -4.84 117.12 122.60 2k3v n MET 45 Ca 0.20 -0.96 -0.19 0.00 -1.81 0.00 0.00 57.70 54.94 2k3v n MET 45 Cb 0.79 0.15 0.17 0.00 -0.71 0.00 0.00 33.22 33.63 2k3v n MET 45 CO 0.00 0.00 0.00 -0.40 1.51 0.00 0.00 175.97 177.08 2k3v n ASP 46 N -1.70 -3.23 -0.23 7.83 5.68 -1.26 -4.58 116.55 119.05 2k3v n ASP 46 Ca -0.02 -0.49 0.02 0.00 -0.50 0.00 0.00 54.79 53.80 2k3v n ASP 46 Cb 0.17 -0.80 0.06 0.00 -1.14 0.00 0.00 41.12 39.41 2k3v n ASP 46 CO 0.00 0.00 0.00 0.47 -1.33 0.00 0.00 177.20 176.34 2k3v n ASP 47 N -2.06 0.67 -0.09 -1.12 8.00 -1.26 -2.43 116.55 118.26 2k3v n ASP 47 Ca 0.08 -2.00 -0.10 0.00 0.71 0.00 0.00 54.79 53.47 2k3v n ASP 47 Cb 0.37 -0.08 -0.12 0.00 -0.02 0.00 0.00 41.12 41.27 2k3v n ASP 47 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 2k3v n ASN 48 N -0.13 1.45 0.04 -2.24 3.02 -1.26 -4.19 115.26 111.94 2k3v n ASN 48 Ca 0.04 -0.04 -0.13 0.00 -0.03 0.00 0.00 54.58 54.42 2k3v n ASN 48 Cb 0.11 0.47 -0.14 0.00 -0.61 0.00 0.00 39.78 39.61 2k3v n ASN 48 CO 0.00 0.00 0.00 0.45 -2.62 0.00 0.00 177.26 175.09 2k3v h HIS 49 N 0.00 0.26 0.49 3.10 3.86 -1.83 -3.36 115.15 117.67 2k3v h HIS 49 Ca -0.45 -0.19 -0.01 0.00 -1.16 0.00 0.00 60.37 58.55 2k3v h HIS 49 Cb 1.91 -0.01 -0.02 0.00 1.06 0.00 0.00 27.41 30.35 2k3v h HIS 49 CO 0.01 1.24 -0.43 -0.22 0.86 0.00 0.00 177.93 179.39 2k3v h LYS 50 N 0.04 -0.88 -0.92 2.45 3.64 -1.41 0.37 116.57 119.86 2k3v h LYS 50 Ca -0.21 0.06 0.35 0.00 -1.27 0.00 0.00 60.65 59.58 2k3v h LYS 50 Cb 1.97 0.20 -0.13 0.00 -0.41 0.00 0.00 32.23 33.86 2k3v h LYS 50 CO 0.13 -0.58 0.55 -2.30 -2.27 0.00 0.00 179.45 174.98 2k3v n PRO 51 N -5.53 -0.04 0.02 1.90 -0.02 -1.26 0.23 135.00 130.31 2k3v n PRO 51 Ca -0.11 1.04 -0.22 0.00 -2.02 0.00 0.00 63.50 62.19 2k3v n PRO 51 Cb 0.42 -1.95 -0.14 0.00 -0.02 0.00 0.00 33.50 31.81 2k3v n PRO 51 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 2k3v h HIS 52 N 0.00 0.54 0.00 6.00 3.86 -1.52 -3.47 115.15 120.56 2k3v h HIS 52 Ca 0.68 -0.39 -0.12 0.00 -1.16 0.00 0.00 60.37 59.38 2k3v h HIS 52 Cb 1.98 -0.02 -0.02 0.00 1.06 0.00 0.00 27.41 30.41 2k3v h HIS 52 CO -0.01 1.74 0.45 -3.47 0.86 0.00 0.00 177.93 177.51 2k3v n ASP 53 N -3.50 -0.03 -0.17 2.45 -0.08 0.62 -0.94 116.55 114.89 2k3v n ASP 53 Ca -0.30 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 52.99 2k3v n ASP 53 Cb 1.06 -0.21 0.00 0.00 2.34 0.00 0.00 41.12 44.31 2k3v n ASP 53 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2k3v n GLY 54 N 1.56 0.69 2.09 0.27 0.00 -1.26 -4.90 105.19 103.64 2k3v n GLY 54 Ca 0.17 -0.39 0.00 0.00 0.00 0.00 0.00 46.02 45.80 2k3v n GLY 54 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2k3v n LEU 55 N -0.17 -1.67 -4.15 0.99 4.77 -0.11 -5.13 117.00 111.53 2k3v n LEU 55 Ca 0.00 0.37 -0.24 0.00 -0.03 0.00 0.00 56.01 56.11 2k3v n LEU 55 Cb 0.07 1.82 -0.15 0.00 -2.33 0.00 0.00 43.42 42.83 2k3v n LEU 55 CO 0.00 -0.20 -0.49 -1.48 -1.33 0.00 0.00 177.39 173.89 2k3v s LEU 56 N -5.81 2.03 1.14 2.23 2.34 -1.26 -5.14 118.68 114.21 2k3v s LEU 56 Ca 0.00 -0.29 -0.14 0.00 0.06 0.00 0.00 54.13 53.76 2k3v s LEU 56 Cb 0.00 -0.84 0.26 0.00 -0.56 0.00 0.00 46.19 45.05 2k3v s LEU 56 CO 0.00 0.20 1.04 -0.04 -1.06 0.00 0.00 176.35 176.49 2k3v s MET 57 N -0.38 -0.72 0.00 1.48 -1.94 -1.26 -4.87 119.30 111.61 2k3v s MET 57 Ca 0.06 0.60 0.00 0.00 -1.71 0.00 0.00 55.69 54.64 2k3v s MET 57 Cb -0.06 -1.60 0.00 0.00 2.01 0.00 0.00 34.83 35.18 2k3v s MET 57 CO -0.01 -3.52 0.88 0.00 -0.01 0.00 0.00 175.02 172.36 2k3v n ALA 59 N -1.83 0.07 -0.49 0.00 0.00 -1.26 0.31 120.51 117.30 2k3v n ALA 59 Ca 0.00 0.89 0.39 0.00 0.00 0.00 0.00 53.44 54.72 2k3v n ALA 59 Cb 0.00 -0.48 0.62 0.00 0.00 0.00 0.00 19.45 19.59 2k3v n ALA 59 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2k3v n ASP 60 N -5.32 0.08 -0.08 0.00 10.43 -1.16 0.39 116.55 120.89 2k3v n ASP 60 Ca 0.11 0.97 -0.16 0.00 2.57 0.00 0.00 54.79 58.28 2k3v n ASP 60 Cb 0.39 -0.48 -0.05 0.00 1.84 0.00 0.00 41.12 42.81 2k3v n ASP 60 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 2k3v n HIS 62 N -3.95 1.70 -1.40 0.00 8.25 0.23 -4.87 115.22 115.18 2k3v n HIS 62 Ca -0.29 -2.37 -0.34 0.00 -0.26 0.00 0.00 57.72 54.47 2k3v n HIS 62 Cb 0.64 -1.83 -0.16 0.00 1.12 0.00 0.00 29.99 29.76 2k3v n HIS 62 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2k3v n ALA 63 N 2.15 0.48 0.27 -1.41 0.00 0.16 -4.37 120.51 117.78 2k3v n ALA 63 Ca 0.59 -0.39 -0.15 0.00 0.00 0.00 0.00 53.44 53.48 2k3v n ALA 63 Cb 0.47 -2.16 -0.08 0.00 0.00 0.00 0.00 19.45 17.69 2k3v n ALA 63 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 2k3v h PRO 64 N 10.99 -0.64 -2.54 0.00 0.11 -1.86 0.51 132.00 138.57 2k3v h PRO 64 Ca -0.03 0.04 -0.51 0.00 0.11 0.00 0.00 66.00 65.62 2k3v h PRO 64 Cb 1.18 0.15 -0.04 0.00 0.11 0.00 0.00 31.00 32.40 2k3v h PRO 64 CO 1.36 -0.36 2.00 0.72 -0.21 0.00 0.00 178.00 181.52 2k3v n HIS 65 N -5.31 1.59 0.00 0.65 8.25 -1.26 -3.22 115.22 115.91 2k3v n HIS 65 Ca -0.11 -2.45 0.00 0.00 -0.26 0.00 0.00 57.72 54.90 2k3v n HIS 65 Cb 0.31 -2.03 0.00 0.00 1.12 0.00 0.00 29.99 29.39 2k3v n HIS 65 CO 0.00 0.00 0.00 -1.91 0.64 0.00 0.00 176.34 175.07 2k3v n GLU 66 N 2.76 0.00 -0.57 -0.41 2.13 -1.18 -5.12 120.64 118.25 2k3v n GLU 66 Ca 0.63 0.00 -0.30 0.00 0.66 0.00 0.00 57.16 58.15 2k3v n GLU 66 Cb 0.48 0.00 0.22 0.00 0.27 0.00 0.00 31.44 32.41 2k3v n GLU 66 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2k3v n ALA 67 N -1.25 -2.46 -2.65 4.31 0.00 0.18 -4.86 120.51 113.78 2k3v n ALA 67 Ca 0.00 -0.99 -0.23 0.00 0.00 0.00 0.00 53.44 52.22 2k3v n ALA 67 Cb 0.00 -1.99 -0.15 0.00 0.00 0.00 0.00 19.45 17.31 2k3v n ALA 67 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.50 175.91 2k3v s LYS 68 N -4.32 1.23 0.08 0.00 -2.85 -1.26 -2.79 119.74 109.83 2k3v s LYS 68 Ca 0.66 -0.51 -0.28 0.00 -1.00 0.00 0.00 55.97 54.84 2k3v s LYS 68 Cb -0.23 -1.16 -0.15 0.00 -2.06 0.00 0.00 37.83 34.22 2k3v s LYS 68 CO 0.63 0.28 0.66 0.28 0.10 0.00 0.00 175.35 177.31 2k3v n VAL 69 N 2.84 0.80 -1.92 1.79 0.31 -0.77 -2.45 118.33 118.93 2k3v n VAL 69 Ca -0.15 -0.20 0.00 0.00 -0.01 0.00 0.00 64.34 63.98 2k3v n VAL 69 Cb 0.55 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.48 2k3v n VAL 69 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2k3v n GLY 70 N 1.44 0.94 3.30 2.92 0.00 -1.26 -4.85 105.19 107.68 2k3v n GLY 70 Ca 0.16 -0.55 -0.31 0.00 0.00 0.00 0.00 46.02 45.31 2k3v n GLY 70 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2k3v s GLU 71 N -3.86 2.28 -0.52 1.61 1.03 -1.02 -5.09 118.70 113.12 2k3v s GLU 71 Ca 0.00 -0.91 -0.01 0.00 0.03 0.00 0.00 54.97 54.08 2k3v s GLU 71 Cb 0.00 -2.09 0.14 0.00 -0.80 0.00 0.00 34.13 31.37 2k3v s GLU 71 CO 0.00 0.50 0.30 0.15 -1.33 0.00 0.00 175.26 174.88 2k3v s LYS 72 N -0.46 2.20 0.81 -4.83 1.02 -1.26 -5.03 119.74 112.18 2k3v s LYS 72 Ca 0.05 -2.30 -0.16 0.00 0.02 0.00 0.00 55.97 53.58 2k3v s LYS 72 Cb -0.11 -3.56 -0.14 0.00 -0.52 0.00 0.00 37.83 33.49 2k3v s LYS 72 CO 0.01 -1.11 -0.58 -2.30 -0.92 0.00 0.00 175.35 170.45 2k3v n PRO 73 N 3.78 0.00 -4.58 -1.68 -0.02 -1.26 -4.94 135.00 126.30 2k3v n PRO 73 Ca 0.04 0.00 -0.33 0.00 -2.02 0.00 0.00 63.50 61.19 2k3v n PRO 73 Cb 0.38 -0.94 -0.14 0.00 -0.02 0.00 0.00 33.50 32.79 2k3v n PRO 73 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 2k3v s THR 74 N -1.87 3.35 0.15 3.45 -4.23 -1.26 -4.96 115.64 110.27 2k3v s THR 74 Ca 0.42 -0.55 -0.13 0.00 -1.18 0.00 0.00 61.69 60.25 2k3v s THR 74 Cb -0.25 -2.44 0.03 0.00 1.34 0.00 0.00 72.50 71.18 2k3v s THR 74 CO 0.73 0.51 1.63 0.00 -0.54 0.00 0.00 174.62 176.95 2k3v h ASP 76 N 0.72 0.00 -0.74 0.00 3.32 -1.66 2.49 116.42 120.54 2k3v h ASP 76 Ca 0.15 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.19 2k3v h ASP 76 Cb 0.41 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 39.93 2k3v h ASP 76 CO 0.01 0.00 0.43 0.74 -1.72 0.00 0.00 179.24 178.70 2k3v h THR 77 N 0.00 1.22 0.00 0.35 2.02 -1.74 -3.32 112.91 111.43 2k3v h THR 77 Ca 0.47 -0.51 -0.17 0.00 0.77 0.00 0.00 66.41 66.97 2k3v h THR 77 Cb 2.56 0.20 -0.03 0.00 -1.74 0.00 0.00 68.15 69.15 2k3v h THR 77 CO -0.00 0.23 -1.45 0.00 0.37 0.00 0.00 175.52 174.67 2k3v s HIS 79 N -2.30 3.22 -0.30 0.00 3.76 0.70 -4.87 115.29 115.50 2k3v s HIS 79 Ca -0.18 -1.35 0.00 0.00 -0.15 0.00 0.00 55.06 53.38 2k3v s HIS 79 Cb 0.06 -4.07 0.30 0.00 1.11 0.00 0.00 32.58 29.97 2k3v s HIS 79 CO 0.23 -1.30 1.77 -3.47 -0.85 0.00 0.00 174.74 171.12 2k3v n ASP 80 N 5.88 5.10 -1.07 1.40 2.03 -1.25 -2.69 116.55 125.94 2k3v n ASP 80 Ca 0.08 -3.02 0.08 0.00 0.52 0.00 0.00 54.79 52.46 2k3v n ASP 80 Cb 0.46 -0.88 0.28 0.00 -0.72 0.00 0.00 41.12 40.26 2k3v n ASP 80 CO 0.00 0.00 0.00 -0.90 -1.92 0.00 0.00 177.20 174.38 2k3v n ASP 81 N -0.08 4.15 0.00 1.67 5.68 -1.26 -4.90 116.55 121.81 2k3v n ASP 81 Ca 0.33 -2.87 0.00 0.00 -0.50 0.00 0.00 54.79 51.75 2k3v n ASP 81 Cb 0.85 -0.54 0.00 0.00 -1.14 0.00 0.00 41.12 40.29 2k3v n ASP 81 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2k3v n GLY 82 N -0.12 1.46 2.67 6.12 0.00 -1.25 -4.99 105.19 109.07 2k3v n GLY 82 Ca 0.22 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.78 2k3v n GLY 82 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2k3v n ARG 83 N -2.00 0.00 -4.33 1.61 3.00 -1.25 -4.94 116.66 108.75 2k3v n ARG 83 Ca 0.00 0.00 -0.20 0.00 -0.01 0.00 0.00 57.85 57.64 2k3v n ARG 83 Cb 0.00 -1.14 -0.11 0.00 0.00 0.00 0.00 32.46 31.22 2k3v n ARG 83 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.63 178.58 2k3v s THR 84 N 0.28 1.77 0.56 0.55 -4.23 -1.26 -4.11 115.64 109.20 2k3v s THR 84 Ca 0.70 -2.01 -0.18 0.00 -1.18 0.00 0.00 61.69 59.02 2k3v s THR 84 Cb -0.98 -1.90 -0.05 0.00 1.34 0.00 0.00 72.50 70.91 2k3v s THR 84 CO 0.45 -0.42 1.08 0.00 -0.54 0.00 0.00 174.62 175.20 2k3v s ALA 85 N -2.37 2.72 -2.10 3.99 0.00 -1.26 -5.02 121.76 117.71 2k3v s ALA 85 Ca 0.18 0.60 0.17 0.00 0.00 0.00 0.00 51.96 52.90 2k3v s ALA 85 Cb -0.04 -3.29 0.13 0.00 0.00 0.00 0.00 23.12 19.93 2k3v s ALA 85 CO 0.07 -0.75 1.03 1.17 0.00 0.00 0.00 175.76 177.28