#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k3v n ASP 2 N 0.00 0.00 -3.64 0.00 -0.08 -1.26 -5.17 116.55 106.40 2k3v n ASP 2 Ca 0.00 0.00 -0.09 0.00 -1.51 0.00 0.00 54.79 53.19 2k3v n ASP 2 Cb 0.00 0.00 -0.07 0.00 2.34 0.00 0.00 41.12 43.39 2k3v n ASP 2 CO 0.00 0.00 0.00 -1.83 0.12 0.00 0.00 177.20 175.49 2k3v s GLU 3 N 0.00 0.72 0.92 -0.67 -1.05 -1.26 -5.12 118.70 112.24 2k3v s GLU 3 Ca 0.00 1.12 -0.11 0.00 -0.15 0.00 0.00 54.97 55.83 2k3v s GLU 3 Cb 0.00 0.21 0.13 0.00 -0.44 0.00 0.00 34.13 34.02 2k3v s GLU 3 CO 0.00 -0.13 1.00 0.25 0.95 0.00 0.00 175.26 177.33 2k3v n THR 4 N 3.81 0.03 -0.26 1.83 -2.24 -1.26 -2.76 114.28 113.43 2k3v n THR 4 Ca -0.18 -0.04 -0.05 0.00 -2.27 0.00 0.00 64.05 61.51 2k3v n THR 4 Cb 0.58 -0.93 0.06 0.00 -2.10 0.00 0.00 70.33 67.94 2k3v n THR 4 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 2k3v h LEU 5 N -1.82 0.85 -1.91 3.22 5.85 -1.48 0.14 115.31 120.15 2k3v h LEU 5 Ca -0.43 -0.04 0.03 0.00 0.84 0.00 0.00 57.88 58.27 2k3v h LEU 5 Cb 1.27 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 42.08 2k3v h LEU 5 CO 0.40 0.64 0.12 0.00 -0.34 0.00 0.00 178.44 179.26 2k3v h ALA 6 N 1.24 2.02 0.04 1.25 0.00 -1.85 -1.25 119.26 120.70 2k3v h ALA 6 Ca 0.26 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.16 2k3v h ALA 6 Cb -0.07 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.69 2k3v h ALA 6 CO -0.05 -0.05 -0.02 1.49 0.00 0.00 0.00 179.25 180.62 2k3v h GLU 7 N 0.12 -0.05 -0.95 0.00 4.57 -1.39 -1.70 114.58 115.18 2k3v h GLU 7 Ca 0.07 0.00 0.18 0.00 -1.18 0.00 0.00 59.36 58.44 2k3v h GLU 7 Cb 0.15 0.01 -0.08 0.00 -0.16 0.00 0.00 28.75 28.67 2k3v h GLU 7 CO -0.01 0.58 0.61 0.35 -1.18 0.00 0.00 179.01 179.36 2k3v h PHE 8 N -0.74 0.85 -0.05 0.92 3.57 -0.45 0.26 116.94 121.31 2k3v h PHE 8 Ca -0.00 0.03 -0.20 0.00 3.53 0.00 0.00 57.97 61.32 2k3v h PHE 8 Cb 0.65 -0.26 -0.00 0.00 2.79 0.00 0.00 35.95 39.13 2k3v h PHE 8 CO 0.15 0.24 -0.81 0.45 -2.23 0.00 0.00 178.31 176.11 2k3v h HIS 9 N 0.65 0.58 0.54 0.41 3.86 -1.27 -3.16 115.15 116.75 2k3v h HIS 9 Ca 0.51 -0.28 -0.02 0.00 -1.16 0.00 0.00 60.37 59.43 2k3v h HIS 9 Cb 0.93 -0.08 -0.00 0.00 1.06 0.00 0.00 27.41 29.32 2k3v h HIS 9 CO -0.00 1.06 -0.33 0.28 0.86 0.00 0.00 177.93 179.79 2k3v h VAL 10 N 0.26 0.32 -0.00 2.45 2.07 0.42 -0.24 116.25 121.53 2k3v h VAL 10 Ca -0.05 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.47 2k3v h VAL 10 Cb 1.41 0.32 -0.00 0.00 -1.52 0.00 0.00 31.29 31.50 2k3v h VAL 10 CO 0.14 0.00 0.39 -0.08 0.02 0.00 0.00 177.57 178.04 2k3v h GLU 11 N -0.83 0.00 -0.49 1.57 4.81 -1.13 1.64 114.58 120.15 2k3v h GLU 11 Ca -0.06 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.17 2k3v h GLU 11 Cb 0.67 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.05 2k3v h GLU 11 CO 0.07 0.00 0.00 -1.33 -0.73 0.00 0.00 179.01 177.02 2k3v n MET 12 N -2.86 4.14 0.00 1.92 2.81 -0.16 -4.89 117.12 118.08 2k3v n MET 12 Ca -0.02 -3.01 0.00 0.00 -1.81 0.00 0.00 57.70 52.86 2k3v n MET 12 Cb 0.43 -2.07 0.00 0.00 -0.71 0.00 0.00 33.22 30.87 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 0.37 -2.10 0.00 3.03 0.00 0.52 -5.02 105.19 101.99 2k3v n GLY 13 Ca 0.25 0.68 0.00 0.00 0.00 0.00 0.00 46.02 46.96 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 -1.05 0.21 -0.02 0.00 0.95 -4.90 105.19 100.37 2k3v n GLY 14 Ca 0.00 -1.27 0.15 0.00 0.00 0.00 0.00 46.02 44.90 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 -2.78 1.32 0.18 0.00 4.71 -1.26 -2.94 120.64 119.87 2k3v n GLU 16 Ca 0.02 -0.41 0.05 0.00 -0.01 0.00 0.00 57.16 56.81 2k3v n GLU 16 Cb 0.33 -1.19 0.29 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 0.63 0.00 0.00 1.62 -1.24 -1.76 -3.31 115.58 111.52 2k3v h ASN 17 Ca 0.00 0.00 -0.10 0.00 0.71 0.00 0.00 56.30 56.91 2k3v h ASN 17 Cb 0.26 0.00 -0.18 0.00 0.73 0.00 0.00 38.32 39.14 2k3v h ASN 17 CO 0.02 0.41 -0.59 0.00 -1.29 0.00 0.00 177.43 175.97 2k3v s HIS 19 N 0.00 -0.24 -0.28 0.00 3.76 -1.15 -4.84 115.29 112.54 2k3v s HIS 19 Ca 0.13 0.60 -0.13 0.00 -0.15 0.00 0.00 55.06 55.50 2k3v s HIS 19 Cb 0.15 0.04 -0.04 0.00 1.11 0.00 0.00 32.58 33.83 2k3v s HIS 19 CO -0.06 -0.16 0.30 0.00 -0.85 0.00 0.00 174.74 173.97 2k3v s ALA 20 N 0.66 3.54 -1.64 -1.40 0.00 -1.26 -4.16 121.76 117.51 2k3v s ALA 20 Ca -0.05 -0.96 -0.19 0.00 0.00 0.00 0.00 51.96 50.76 2k3v s ALA 20 Cb -0.06 -2.63 0.17 0.00 0.00 0.00 0.00 23.12 20.60 2k3v s ALA 20 CO -0.04 -0.66 0.65 -0.25 0.00 0.00 0.00 175.76 175.47 2k3v n ASP 21 N 5.23 -2.73 -3.49 0.00 8.00 -1.26 -0.00 116.55 122.30 2k3v n ASP 21 Ca -0.11 -0.95 -0.20 0.00 0.71 0.00 0.00 54.79 54.24 2k3v n ASP 21 Cb 0.51 -2.29 0.06 0.00 -0.02 0.00 0.00 41.12 39.38 2k3v n ASP 21 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2k3v n GLY 22 N -1.20 -0.76 2.35 0.44 0.00 -1.26 -4.98 105.19 99.78 2k3v n GLY 22 Ca 0.08 0.35 -0.26 0.00 0.00 0.00 0.00 46.02 46.20 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 -3.86 0.48 -1.71 1.61 2.13 1.00 -5.10 120.64 115.19 2k3v n GLU 23 Ca -0.17 -3.28 -0.60 0.00 0.66 0.00 0.00 57.16 53.77 2k3v n GLU 23 Cb 0.64 -1.56 -0.08 0.00 0.27 0.00 0.00 31.44 30.71 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 2.29 0.87 -0.99 5.31 -0.02 -1.26 -4.31 135.00 136.88 2k3v n PRO 24 Ca 0.27 0.32 -0.35 0.00 -2.02 0.00 0.00 63.50 61.72 2k3v n PRO 24 Cb 0.49 -1.95 0.09 0.00 -0.02 0.00 0.00 33.50 32.10 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 4.83 -2.53 -1.76 2.55 2.88 -1.26 -4.90 113.62 113.42 2k3v n SER 25 Ca 0.27 0.40 -0.19 0.00 -1.33 0.00 0.00 58.87 58.02 2k3v n SER 25 Cb 0.09 -1.12 0.11 0.00 -0.75 0.00 0.00 64.21 62.54 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 -0.59 2.61 0.11 -1.46 0.00 -1.26 -4.64 118.16 112.93 2k3v n LYS 26 Ca 0.06 -3.52 0.00 0.00 -0.00 0.00 0.00 58.31 54.85 2k3v n LYS 26 Cb 0.53 -2.09 0.00 0.00 -0.00 0.00 0.00 35.03 33.46 2k3v n LYS 26 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.40 177.00 2k3v n ASP 27 N -0.95 -0.51 0.00 -5.58 5.75 -1.26 -5.07 116.55 108.93 2k3v n ASP 27 Ca 0.45 0.39 0.00 0.00 -0.01 0.00 0.00 54.79 55.62 2k3v n ASP 27 Cb 0.96 0.64 0.00 0.00 -1.03 0.00 0.00 41.12 41.69 2k3v n ASP 27 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2k3v n GLY 28 N 1.12 3.66 0.37 6.12 0.00 -1.26 -4.93 105.19 110.27 2k3v n GLY 28 Ca 0.00 -1.01 0.05 0.00 0.00 0.00 0.00 46.02 45.06 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 1.53 -0.93 4.61 0.00 -1.98 -0.33 119.26 122.16 2k3v h ALA 29 Ca 0.00 -0.01 0.14 0.00 0.00 0.00 0.00 54.91 55.04 2k3v h ALA 29 Cb 0.00 -0.25 -0.09 0.00 0.00 0.00 0.00 17.79 17.45 2k3v h ALA 29 CO 0.00 0.30 0.54 -0.92 0.00 0.00 0.00 179.25 179.16 2k3v h TYR 30 N 1.02 0.96 -0.05 0.00 3.20 -1.99 -1.42 116.97 118.69 2k3v h TYR 30 Ca 0.43 0.03 -0.01 0.00 3.14 0.00 0.00 58.73 62.32 2k3v h TYR 30 Cb 0.32 -0.29 -0.00 0.00 1.54 0.00 0.00 36.73 38.30 2k3v h TYR 30 CO -0.00 0.30 -0.02 0.93 -1.64 0.00 0.00 178.16 177.73 2k3v h GLU 31 N 0.79 0.09 -1.17 1.82 3.07 -1.42 -2.85 114.58 114.91 2k3v h GLU 31 Ca 0.49 -0.04 0.34 0.00 -0.50 0.00 0.00 59.36 59.65 2k3v h GLU 31 Cb 0.61 -0.00 -0.05 0.00 -0.84 0.00 0.00 28.75 28.47 2k3v h GLU 31 CO -0.32 0.47 0.94 0.35 -1.40 0.00 0.00 179.01 179.05 2k3v h PHE 32 N -0.29 0.00 -0.48 4.33 3.57 -0.70 0.95 116.94 124.32 2k3v h PHE 32 Ca 0.01 0.00 -0.09 0.00 3.53 0.00 0.00 57.97 61.42 2k3v h PHE 32 Cb 0.44 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 39.17 2k3v h PHE 32 CO 0.06 0.00 -0.05 0.93 -2.23 0.00 0.00 178.31 177.02 2k3v h GLU 33 N 0.00 0.88 -0.53 1.11 5.08 -1.17 -2.71 114.58 117.24 2k3v h GLU 33 Ca 0.56 -0.31 0.02 0.00 -1.00 0.00 0.00 59.36 58.63 2k3v h GLU 33 Cb 2.43 -0.07 -0.03 0.00 0.50 0.00 0.00 28.75 31.59 2k3v h GLU 33 CO -0.01 0.94 0.35 1.96 -1.00 0.00 0.00 179.01 181.26 2k3v h GLN 34 N 0.73 0.65 -1.82 2.33 1.08 0.87 -1.61 115.11 117.34 2k3v h GLN 34 Ca 0.13 -0.04 -0.40 0.00 -1.45 0.00 0.00 58.65 56.89 2k3v h GLN 34 Cb 0.58 -0.15 -0.15 0.00 -0.05 0.00 0.00 27.48 27.72 2k3v h GLN 34 CO 0.03 0.43 0.33 0.00 -0.95 0.00 0.00 178.83 178.67 2k3v n GLN 36 N 0.82 1.05 0.00 0.00 7.27 -0.61 -4.29 117.38 121.62 2k3v n GLN 36 Ca 0.40 -2.97 0.00 0.00 0.07 0.00 0.00 57.00 54.51 2k3v n GLN 36 Cb 0.59 -1.30 0.00 0.00 2.41 0.00 0.00 30.24 31.94 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 0.10 0.00 0.09 1.69 2.88 -1.26 -4.76 113.62 112.36 2k3v n SER 37 Ca 0.15 0.00 0.08 0.00 -1.33 0.00 0.00 58.87 57.77 2k3v n SER 37 Cb 0.73 0.26 0.38 0.00 -0.75 0.00 0.00 64.21 64.84 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 -1.94 0.00 -2.11 0.00 -0.00 -1.26 -5.18 115.22 104.73 2k3v n HIS 39 Ca 0.01 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.73 2k3v n HIS 39 Cb 0.12 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 30.11 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 4.61 0.05 3.78 -1.41 0.00 -1.26 -5.02 105.19 105.94 2k3v n GLY 40 Ca 0.00 -1.36 -0.31 0.00 0.00 0.00 0.00 46.02 44.35 2k3v n GLY 40 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2k3v s SER 41 N -4.00 5.60 0.37 1.61 0.15 -1.26 -4.32 113.70 111.85 2k3v s SER 41 Ca 0.00 0.04 0.08 0.00 0.70 0.00 0.00 55.95 56.78 2k3v s SER 41 Cb 0.00 -1.54 0.81 0.00 -1.71 0.00 0.00 66.02 63.58 2k3v s SER 41 CO 0.00 0.20 1.93 -0.07 1.20 0.00 0.00 173.24 176.50 2k3v h LEU 42 N 3.51 0.62 0.00 3.45 3.38 -1.94 0.93 115.31 125.27 2k3v h LEU 42 Ca -0.47 0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.51 2k3v h LEU 42 Cb 1.17 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.80 2k3v h LEU 42 CO 0.65 0.37 0.00 0.00 0.09 0.00 0.00 178.44 179.55 2k3v n ALA 43 N -2.46 1.55 -1.14 1.53 0.00 -1.26 -1.01 120.51 117.72 2k3v n ALA 43 Ca 0.13 -0.04 0.07 0.00 0.00 0.00 0.00 53.44 53.60 2k3v n ALA 43 Cb 0.33 -1.17 0.20 0.00 0.00 0.00 0.00 19.45 18.81 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 -1.43 1.97 -2.47 0.00 2.13 0.32 -4.96 120.64 116.19 2k3v n GLU 44 Ca 0.03 -2.82 -0.08 0.00 0.66 0.00 0.00 57.16 54.96 2k3v n GLU 44 Cb 0.11 -1.68 -0.01 0.00 0.27 0.00 0.00 31.44 30.13 2k3v n GLU 44 CO 0.00 0.00 0.00 -1.33 -0.41 0.00 0.00 177.13 175.39 2k3v n MET 45 N -1.04 1.54 -0.50 5.31 2.81 -0.18 -4.79 117.12 120.28 2k3v n MET 45 Ca 0.20 -0.92 -0.18 0.00 -1.81 0.00 0.00 57.70 54.99 2k3v n MET 45 Cb 0.79 0.20 0.16 0.00 -0.71 0.00 0.00 33.22 33.65 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 -1.40 -3.10 -0.16 7.83 5.75 -1.26 -4.58 116.55 119.64 2k3v n ASP 46 Ca -0.04 -0.43 0.05 0.00 -0.01 0.00 0.00 54.79 54.37 2k3v n ASP 46 Cb 0.16 -0.78 0.25 0.00 -1.03 0.00 0.00 41.12 39.72 2k3v n ASP 46 CO 0.00 0.00 0.00 -0.90 -0.11 0.00 0.00 177.20 176.19 2k3v n ASP 47 N -1.59 0.47 -0.11 -1.12 5.75 -1.26 -2.38 116.55 116.30 2k3v n ASP 47 Ca 0.07 -1.78 -0.14 0.00 -0.01 0.00 0.00 54.79 52.93 2k3v n ASP 47 Cb 0.35 -0.05 -0.13 0.00 -1.03 0.00 0.00 41.12 40.27 2k3v n ASP 47 CO 0.00 0.00 0.00 0.59 -0.11 0.00 0.00 177.20 177.68 2k3v n ASN 48 N -0.35 1.46 0.05 -1.12 3.02 -1.26 -4.19 115.26 112.87 2k3v n ASN 48 Ca 0.08 -0.08 -0.09 0.00 -0.03 0.00 0.00 54.58 54.46 2k3v n ASN 48 Cb 0.10 0.13 -0.13 0.00 -0.61 0.00 0.00 39.78 39.28 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 0.09 0.17 3.10 3.86 -1.83 -3.37 115.15 117.17 2k3v h HIS 49 Ca -0.53 -0.07 -0.01 0.00 -1.16 0.00 0.00 60.37 58.61 2k3v h HIS 49 Cb 1.96 -0.00 -0.01 0.00 1.06 0.00 0.00 27.41 30.42 2k3v h HIS 49 CO 0.02 1.06 -0.15 0.87 0.86 0.00 0.00 177.93 180.59 2k3v h LYS 50 N 0.01 -0.29 -0.53 2.45 1.57 -1.41 0.57 116.57 118.94 2k3v h LYS 50 Ca -0.09 0.02 0.21 0.00 -1.87 0.00 0.00 60.65 58.92 2k3v h LYS 50 Cb 1.85 0.07 -0.10 0.00 0.08 0.00 0.00 32.23 34.13 2k3v h LYS 50 CO 0.13 -0.20 0.23 -2.30 -0.57 0.00 0.00 179.45 176.75 2k3v n PRO 51 N -3.17 -0.03 -0.03 3.15 -0.02 -1.26 0.27 135.00 133.90 2k3v n PRO 51 Ca -0.04 0.75 -0.19 0.00 -2.02 0.00 0.00 63.50 62.00 2k3v n PRO 51 Cb 0.14 -1.31 -0.13 0.00 -0.02 0.00 0.00 33.50 32.17 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 0.24 -0.02 6.00 3.86 -1.59 -3.47 115.15 120.18 2k3v h HIS 52 Ca 0.43 -0.18 -0.09 0.00 -1.16 0.00 0.00 60.37 59.37 2k3v h HIS 52 Cb 1.09 -0.01 -0.00 0.00 1.06 0.00 0.00 27.41 29.55 2k3v h HIS 52 CO -0.06 1.32 0.14 -3.47 0.86 0.00 0.00 177.93 176.72 2k3v n ASP 53 N -4.27 0.09 -0.65 2.45 -0.08 0.75 -1.56 116.55 113.28 2k3v n ASP 53 Ca -0.19 0.08 0.00 0.00 -1.51 0.00 0.00 54.79 53.17 2k3v n ASP 53 Cb 0.71 -0.10 0.00 0.00 2.34 0.00 0.00 41.12 44.07 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 0.79 0.51 2.02 0.27 0.00 -1.26 -4.90 105.19 102.61 2k3v n GLY 54 Ca 0.06 -0.32 0.00 0.00 0.00 0.00 0.00 46.02 45.76 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 -0.65 -0.32 -4.35 0.99 4.77 -0.60 -5.14 117.00 111.70 2k3v n LEU 55 Ca 0.00 0.08 -0.25 0.00 -0.03 0.00 0.00 56.01 55.81 2k3v n LEU 55 Cb 0.31 0.67 -0.12 0.00 -2.33 0.00 0.00 43.42 41.95 2k3v n LEU 55 CO 0.00 -0.44 -0.52 -1.48 -1.33 0.00 0.00 177.39 173.61 2k3v s LEU 56 N -5.18 2.36 0.88 2.23 2.34 -1.26 -5.14 118.68 114.91 2k3v s LEU 56 Ca 0.00 -0.78 -0.12 0.00 0.06 0.00 0.00 54.13 53.29 2k3v s LEU 56 Cb 0.00 -0.99 0.12 0.00 -0.56 0.00 0.00 46.19 44.75 2k3v s LEU 56 CO 0.00 0.07 1.14 -0.04 -1.06 0.00 0.00 176.35 176.46 2k3v s MET 57 N -2.31 1.43 0.01 1.48 -1.94 -1.26 -4.85 119.30 111.86 2k3v s MET 57 Ca 0.13 0.29 -0.07 0.00 -1.71 0.00 0.00 55.69 54.33 2k3v s MET 57 Cb -0.09 -1.87 -0.04 0.00 2.01 0.00 0.00 34.83 34.84 2k3v s MET 57 CO 0.06 -2.00 1.10 0.00 -0.01 0.00 0.00 175.02 174.17 2k3v n ALA 59 N -2.15 -0.03 -0.52 0.00 0.00 -1.26 0.27 120.51 116.82 2k3v n ALA 59 Ca -0.03 0.98 0.40 0.00 0.00 0.00 0.00 53.44 54.79 2k3v n ALA 59 Cb 0.10 -0.48 0.64 0.00 0.00 0.00 0.00 19.45 19.71 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 -5.45 0.06 -0.06 0.00 9.92 -1.13 0.05 116.55 119.94 2k3v n ASP 60 Ca 0.11 0.94 -0.11 0.00 -0.53 0.00 0.00 54.79 55.20 2k3v n ASP 60 Cb 0.41 -0.47 -0.04 0.00 -0.64 0.00 0.00 41.12 40.38 2k3v n ASP 60 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2k3v n HIS 62 N -4.04 1.69 -1.40 0.00 8.25 0.36 -4.81 115.22 115.26 2k3v n HIS 62 Ca -0.19 -2.50 -0.33 0.00 -0.26 0.00 0.00 57.72 54.43 2k3v n HIS 62 Cb 0.50 -2.05 -0.16 0.00 1.12 0.00 0.00 29.99 29.40 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 2.75 0.51 0.30 -1.41 0.00 0.11 -4.37 120.51 118.39 2k3v n ALA 63 Ca 0.64 -0.41 -0.15 0.00 0.00 0.00 0.00 53.44 53.52 2k3v n ALA 63 Cb 0.46 -2.16 -0.08 0.00 0.00 0.00 0.00 19.45 17.67 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 10.95 -0.74 -2.74 0.00 0.11 -1.85 1.46 132.00 139.19 2k3v h PRO 64 Ca -0.02 0.05 -0.58 0.00 0.11 0.00 0.00 66.00 65.56 2k3v h PRO 64 Cb 1.18 0.17 -0.01 0.00 0.11 0.00 0.00 31.00 32.44 2k3v h PRO 64 CO 1.37 -0.43 2.80 0.72 -0.21 0.00 0.00 178.00 182.25 2k3v n HIS 65 N -5.33 1.95 0.00 0.65 8.25 -1.26 -3.31 115.22 116.16 2k3v n HIS 65 Ca -0.11 -2.73 0.00 0.00 -0.26 0.00 0.00 57.72 54.62 2k3v n HIS 65 Cb 0.34 -2.23 0.00 0.00 1.12 0.00 0.00 29.99 29.22 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 3.11 0.00 -1.08 -0.41 2.13 -1.21 -5.13 120.64 118.05 2k3v n GLU 66 Ca 0.70 0.00 -0.31 0.00 0.66 0.00 0.00 57.16 58.21 2k3v n GLU 66 Cb 0.37 0.00 0.12 0.00 0.27 0.00 0.00 31.44 32.20 2k3v n GLU 66 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2k3v s ALA 67 N 0.00 1.97 -0.06 4.31 0.00 0.50 -4.93 121.76 123.55 2k3v s ALA 67 Ca 0.00 0.36 0.04 0.00 0.00 0.00 0.00 51.96 52.35 2k3v s ALA 67 Cb 0.00 -3.33 0.00 0.00 0.00 0.00 0.00 23.12 19.80 2k3v s ALA 67 CO 0.00 -2.11 -0.17 0.15 0.00 0.00 0.00 175.76 173.63 2k3v s LYS 68 N -4.82 1.95 -0.25 0.00 1.02 -1.26 -2.50 119.74 113.87 2k3v s LYS 68 Ca 0.63 -0.60 -0.34 0.00 0.02 0.00 0.00 55.97 55.67 2k3v s LYS 68 Cb -0.19 -1.63 -0.15 0.00 -0.52 0.00 0.00 37.83 35.34 2k3v s LYS 68 CO 0.57 0.18 1.09 0.28 -0.92 0.00 0.00 175.35 176.55 2k3v n VAL 69 N 3.36 0.00 0.00 3.17 0.31 -1.11 0.56 118.33 124.62 2k3v n VAL 69 Ca -0.19 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.14 2k3v n VAL 69 Cb 0.53 -0.25 0.00 0.00 -0.91 0.00 0.00 33.84 33.20 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 2.41 1.38 3.75 2.92 0.00 -1.26 -4.93 105.19 109.45 2k3v n GLY 70 Ca 0.21 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.82 2k3v n GLY 70 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2k3v s GLU 71 N -0.71 4.45 -0.42 1.61 0.41 0.19 -5.00 118.70 119.24 2k3v s GLU 71 Ca 0.00 1.99 -0.05 0.00 -0.41 0.00 0.00 54.97 56.50 2k3v s GLU 71 Cb 0.00 -3.19 0.11 0.00 -1.78 0.00 0.00 34.13 29.27 2k3v s GLU 71 CO 0.00 -0.12 0.23 0.15 -0.49 0.00 0.00 175.26 175.03 2k3v s LYS 72 N -0.63 2.21 0.63 1.61 1.02 -1.26 -4.94 119.74 118.37 2k3v s LYS 72 Ca 0.52 -1.73 -0.18 0.00 0.02 0.00 0.00 55.97 54.60 2k3v s LYS 72 Cb -0.35 -3.66 -0.13 0.00 -0.52 0.00 0.00 37.83 33.17 2k3v s LYS 72 CO 0.41 -1.06 -0.09 -2.30 -0.92 0.00 0.00 175.35 171.39 2k3v n PRO 73 N 4.71 0.09 -4.46 -1.68 -0.02 -1.26 -4.95 135.00 127.43 2k3v n PRO 73 Ca -0.05 0.04 -0.34 0.00 -2.02 0.00 0.00 63.50 61.13 2k3v n PRO 73 Cb 0.41 -1.18 -0.12 0.00 -0.02 0.00 0.00 33.50 32.59 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 -1.96 3.79 0.35 3.45 -4.23 -1.26 -4.98 115.64 110.80 2k3v s THR 74 Ca 0.56 -0.40 0.09 0.00 -1.18 0.00 0.00 61.69 60.77 2k3v s THR 74 Cb -0.42 -2.65 0.10 0.00 1.34 0.00 0.00 72.50 70.88 2k3v s THR 74 CO 0.67 0.51 1.82 0.00 -0.54 0.00 0.00 174.62 177.08 2k3v h ASP 76 N 0.16 0.00 -0.40 0.00 -0.00 -1.78 1.65 116.42 116.06 2k3v h ASP 76 Ca 0.02 0.00 -0.16 0.00 -0.00 0.00 0.00 57.03 56.90 2k3v h ASP 76 Cb 0.59 0.00 -0.10 0.00 -0.00 0.00 0.00 39.33 39.82 2k3v h ASP 76 CO 0.04 0.00 0.20 0.41 -0.00 0.00 0.00 179.24 179.90 2k3v n THR 77 N -2.32 1.78 0.00 2.25 -1.04 -0.36 -4.29 114.28 110.30 2k3v n THR 77 Ca -0.02 -0.81 0.00 0.00 -2.04 0.00 0.00 64.05 61.18 2k3v n THR 77 Cb 0.08 -0.63 0.00 0.00 -1.82 0.00 0.00 70.33 67.96 2k3v n THR 77 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2k3v s HIS 79 N -1.85 3.23 0.24 0.00 3.76 0.54 -4.97 115.29 116.23 2k3v s HIS 79 Ca 0.00 0.21 -0.14 0.00 -0.15 0.00 0.00 55.06 54.98 2k3v s HIS 79 Cb 0.00 -2.27 0.30 0.00 1.11 0.00 0.00 32.58 31.72 2k3v s HIS 79 CO 0.00 -0.31 1.49 -0.25 -0.85 0.00 0.00 174.74 174.82 2k3v n ASP 80 N -2.03 -0.53 0.00 1.40 8.00 -1.26 -4.13 116.55 117.99 2k3v n ASP 80 Ca 0.01 1.67 0.00 0.00 0.71 0.00 0.00 54.79 57.17 2k3v n ASP 80 Cb 0.58 -0.42 0.00 0.00 -0.02 0.00 0.00 41.12 41.26 2k3v n ASP 80 CO 0.00 0.00 0.00 -0.90 -0.39 0.00 0.00 177.20 175.91 2k3v n ASP 81 N -5.46 0.00 -0.26 -2.24 5.68 -1.26 -4.84 116.55 108.17 2k3v n ASP 81 Ca 0.12 0.00 0.18 0.00 -0.50 0.00 0.00 54.79 54.58 2k3v n ASP 81 Cb 0.41 0.00 0.34 0.00 -1.14 0.00 0.00 41.12 40.73 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 0.00 -0.84 3.60 6.12 0.00 -1.26 -4.43 105.19 108.38 2k3v n GLY 82 Ca 0.00 0.70 -0.59 0.00 0.00 0.00 0.00 46.02 46.13 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 -4.94 0.44 -4.36 1.61 3.00 -1.26 -4.95 116.66 106.20 2k3v n ARG 83 Ca 0.24 0.16 -0.22 0.00 -0.01 0.00 0.00 57.85 58.02 2k3v n ARG 83 Cb 0.79 -1.72 -0.11 0.00 0.00 0.00 0.00 32.46 31.42 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 1.21 1.93 0.31 0.55 -4.23 -1.26 -4.59 115.64 109.55 2k3v s THR 84 Ca 0.93 -2.05 -0.28 0.00 -1.18 0.00 0.00 61.69 59.12 2k3v s THR 84 Cb -1.21 -1.96 -0.09 0.00 1.34 0.00 0.00 72.50 70.57 2k3v s THR 84 CO 0.61 -0.36 1.03 0.00 -0.54 0.00 0.00 174.62 175.35 2k3v s ALA 85 N -2.26 3.28 -2.93 3.99 0.00 -1.26 -5.06 121.76 117.52 2k3v s ALA 85 Ca 0.19 0.74 0.25 0.00 0.00 0.00 0.00 51.96 53.13 2k3v s ALA 85 Cb -0.05 -3.27 0.31 0.00 0.00 0.00 0.00 23.12 20.11 2k3v s ALA 85 CO 0.08 -0.05 1.33 1.17 0.00 0.00 0.00 175.76 178.29