#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 -7.11 -4.17 0.00 2.03 -1.26 -4.96 116.55 101.07 2k3v n ASP 2 Ca 0.00 0.77 -0.34 0.00 0.52 0.00 0.00 54.79 55.74 2k3v n ASP 2 Cb 0.00 -3.08 -0.15 0.00 -0.72 0.00 0.00 41.12 37.17 2k3v n ASP 2 CO 0.00 0.00 0.00 -1.83 -1.92 0.00 0.00 177.20 173.45 2k3v s GLU 3 N -1.33 2.95 1.00 -0.67 -1.05 -1.26 -5.08 118.70 113.26 2k3v s GLU 3 Ca 0.02 -0.88 -0.21 0.00 -0.15 0.00 0.00 54.97 53.75 2k3v s GLU 3 Cb -0.00 -2.80 -0.13 0.00 -0.44 0.00 0.00 34.13 30.75 2k3v s GLU 3 CO 0.35 -0.29 -0.93 0.25 0.95 0.00 0.00 175.26 175.58 2k3v n THR 4 N 4.65 0.00 -0.23 1.83 -2.24 -1.26 -3.36 114.28 113.67 2k3v n THR 4 Ca -0.19 -0.27 -0.08 0.00 -2.27 0.00 0.00 64.05 61.24 2k3v n THR 4 Cb 0.49 -0.10 0.03 0.00 -2.10 0.00 0.00 70.33 68.65 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 -1.13 1.03 -1.94 3.22 5.85 -1.41 -1.65 115.31 119.29 2k3v h LEU 5 Ca -0.43 -0.26 0.04 0.00 0.84 0.00 0.00 57.88 58.07 2k3v h LEU 5 Cb 1.34 -0.27 -0.01 0.00 0.37 0.00 0.00 40.66 42.09 2k3v h LEU 5 CO 0.24 1.03 0.13 0.00 -0.34 0.00 0.00 178.44 179.51 2k3v h ALA 6 N 1.04 2.08 0.29 1.25 0.00 -1.84 -1.68 119.26 120.40 2k3v h ALA 6 Ca 0.20 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.08 2k3v h ALA 6 Cb 0.44 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.22 2k3v h ALA 6 CO 0.01 -0.13 -0.14 1.49 0.00 0.00 0.00 179.25 180.49 2k3v h GLU 7 N 0.08 -0.37 -1.05 0.00 4.57 -1.62 -1.49 114.58 114.69 2k3v h GLU 7 Ca 0.08 0.03 0.31 0.00 -1.18 0.00 0.00 59.36 58.60 2k3v h GLU 7 Cb 0.25 0.09 -0.13 0.00 -0.16 0.00 0.00 28.75 28.79 2k3v h GLU 7 CO -0.01 -0.11 0.64 0.35 -1.18 0.00 0.00 179.01 178.69 2k3v h PHE 8 N -1.03 0.84 -0.11 0.92 3.57 -0.96 0.91 116.94 121.08 2k3v h PHE 8 Ca -0.04 0.03 -0.21 0.00 3.53 0.00 0.00 57.97 61.28 2k3v h PHE 8 Cb 0.43 -0.23 0.00 0.00 2.79 0.00 0.00 35.95 38.95 2k3v h PHE 8 CO 0.03 -0.08 -0.77 0.45 -2.23 0.00 0.00 178.31 175.71 2k3v h HIS 9 N 0.36 0.84 0.43 0.41 3.86 -1.35 -3.13 115.15 116.58 2k3v h HIS 9 Ca 0.70 -0.38 -0.01 0.00 -1.16 0.00 0.00 60.37 59.52 2k3v h HIS 9 Cb 1.66 -0.13 -0.01 0.00 1.06 0.00 0.00 27.41 30.00 2k3v h HIS 9 CO -0.01 1.18 -0.31 0.28 0.86 0.00 0.00 177.93 179.93 2k3v h VAL 10 N 0.42 0.35 -0.00 2.45 2.07 0.19 0.17 116.25 121.89 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 1.38 0.35 -0.00 0.00 -1.52 0.00 0.00 31.29 31.50 2k3v h VAL 10 CO 0.15 0.00 0.38 -0.08 0.02 0.00 0.00 177.57 178.04 2k3v h GLU 11 N -0.73 0.00 -0.49 1.57 4.81 -0.95 1.58 114.58 120.37 2k3v h GLU 11 Ca -0.04 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.19 2k3v h GLU 11 Cb 0.62 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.00 2k3v h GLU 11 CO 0.01 0.00 0.00 -1.33 -0.73 0.00 0.00 179.01 176.96 2k3v n MET 12 N -2.86 4.29 0.00 1.92 2.81 -0.01 -4.88 117.12 118.38 2k3v n MET 12 Ca -0.02 -3.06 0.00 0.00 -1.81 0.00 0.00 57.70 52.81 2k3v n MET 12 Cb 0.43 -2.13 0.00 0.00 -0.71 0.00 0.00 33.22 30.81 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 0.31 -2.06 0.00 3.03 0.00 0.50 -5.02 105.19 101.95 2k3v n GLY 13 Ca 0.26 0.67 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 -1.26 0.20 -0.02 0.00 0.91 -4.91 105.19 100.11 2k3v n GLY 14 Ca 0.00 -1.24 0.14 0.00 0.00 0.00 0.00 46.02 44.92 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 -2.69 1.27 0.19 0.00 1.02 -1.26 -2.97 120.64 116.20 2k3v n GLU 16 Ca 0.02 -0.38 0.06 0.00 -0.02 0.00 0.00 57.16 56.83 2k3v n GLU 16 Cb 0.30 -1.13 0.35 0.00 -0.02 0.00 0.00 31.44 30.95 2k3v n GLU 16 CO 0.00 0.00 0.00 -0.97 1.18 0.00 0.00 177.13 177.34 2k3v h ASN 17 N 0.61 0.00 0.00 1.62 -1.24 -1.72 -3.29 115.58 111.55 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 0.19 0.00 -0.18 0.00 0.73 0.00 0.00 38.32 39.06 2k3v h ASN 17 CO 0.01 0.37 -0.60 0.00 -1.29 0.00 0.00 177.43 175.91 2k3v s HIS 19 N 0.00 -0.23 -0.30 0.00 3.76 -1.16 -4.84 115.29 112.52 2k3v s HIS 19 Ca 0.13 0.58 -0.14 0.00 -0.15 0.00 0.00 55.06 55.49 2k3v s HIS 19 Cb 0.15 0.04 -0.03 0.00 1.11 0.00 0.00 32.58 33.85 2k3v s HIS 19 CO -0.07 -0.15 0.30 0.00 -0.85 0.00 0.00 174.74 173.98 2k3v s ALA 20 N 0.62 3.53 -1.23 -1.40 0.00 -1.26 -4.15 121.76 117.86 2k3v s ALA 20 Ca -0.04 -1.05 -0.12 0.00 0.00 0.00 0.00 51.96 50.75 2k3v s ALA 20 Cb -0.06 -2.66 0.10 0.00 0.00 0.00 0.00 23.12 20.50 2k3v s ALA 20 CO -0.03 -0.76 0.45 -0.25 0.00 0.00 0.00 175.76 175.17 2k3v n ASP 21 N 5.24 -2.82 -3.37 0.00 8.00 -1.26 -0.42 116.55 121.93 2k3v n ASP 21 Ca -0.11 -0.47 -0.18 0.00 0.71 0.00 0.00 54.79 54.73 2k3v n ASP 21 Cb 0.51 -2.38 0.07 0.00 -0.02 0.00 0.00 41.12 39.29 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 -1.05 -0.99 2.33 0.44 0.00 -1.26 -4.98 105.19 99.67 2k3v n GLY 22 Ca 0.02 0.48 -0.23 0.00 0.00 0.00 0.00 46.02 46.30 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 -3.56 0.53 -1.60 1.61 4.07 0.45 -5.11 120.64 117.03 2k3v n GLU 23 Ca -0.11 -3.02 -0.62 0.00 -0.06 0.00 0.00 57.16 53.35 2k3v n GLU 23 Cb 0.62 -1.40 -0.09 0.00 -0.06 0.00 0.00 31.44 30.52 2k3v n GLU 23 CO 0.00 0.00 0.00 -2.30 -0.06 0.00 0.00 177.13 174.77 2k3v n PRO 24 N 1.98 0.10 -1.54 5.31 -0.02 -1.26 -4.41 135.00 135.15 2k3v n PRO 24 Ca 0.23 0.04 -0.40 0.00 -2.02 0.00 0.00 63.50 61.35 2k3v n PRO 24 Cb 0.52 -1.55 0.03 0.00 -0.02 0.00 0.00 33.50 32.48 2k3v n PRO 24 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 2k3v n SER 25 N 2.51 0.11 -1.94 2.55 3.41 -1.26 -4.86 113.62 114.14 2k3v n SER 25 Ca 0.24 0.87 -0.14 0.00 -0.26 0.00 0.00 58.87 59.58 2k3v n SER 25 Cb 0.04 -1.27 0.19 0.00 -0.26 0.00 0.00 64.21 62.92 2k3v n SER 25 CO 0.00 0.00 0.00 2.29 -0.16 0.00 0.00 175.04 177.17 2k3v n LYS 26 N -0.11 2.55 0.10 4.33 2.85 -1.26 -4.41 118.16 122.22 2k3v n LYS 26 Ca 0.11 -2.54 0.00 0.00 -1.05 0.00 0.00 58.31 54.84 2k3v n LYS 26 Cb 0.44 -2.02 0.00 0.00 -0.65 0.00 0.00 35.03 32.79 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 -0.55 -0.23 0.00 -5.58 5.75 -1.26 -5.07 116.55 109.61 2k3v n ASP 27 Ca 0.44 0.34 0.00 0.00 -0.01 0.00 0.00 54.79 55.55 2k3v n ASP 27 Cb 1.38 0.37 0.00 0.00 -1.03 0.00 0.00 41.12 41.85 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 1.38 1.93 0.20 6.12 0.00 -1.26 -4.95 105.19 108.60 2k3v n GLY 28 Ca 0.00 -0.38 -0.06 0.00 0.00 0.00 0.00 46.02 45.58 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 0.60 -0.81 4.61 0.00 -1.97 -0.93 119.26 120.76 2k3v h ALA 29 Ca 0.00 -0.01 0.18 0.00 0.00 0.00 0.00 54.91 55.08 2k3v h ALA 29 Cb 0.00 -0.13 -0.11 0.00 0.00 0.00 0.00 17.79 17.55 2k3v h ALA 29 CO 0.00 -0.04 0.29 -0.92 0.00 0.00 0.00 179.25 178.59 2k3v h TYR 30 N 0.55 0.49 0.04 0.00 3.20 -1.98 -0.84 116.97 118.43 2k3v h TYR 30 Ca 0.19 0.04 -0.00 0.00 3.14 0.00 0.00 58.73 62.10 2k3v h TYR 30 Cb 0.02 -0.09 0.00 0.00 1.54 0.00 0.00 36.73 38.20 2k3v h TYR 30 CO -0.07 -0.02 -0.02 0.93 -1.64 0.00 0.00 178.16 177.34 2k3v h GLU 31 N 0.37 -0.05 -0.92 1.82 5.08 -1.69 -2.84 114.58 116.35 2k3v h GLU 31 Ca 0.47 0.00 0.27 0.00 -1.00 0.00 0.00 59.36 59.10 2k3v h GLU 31 Cb 0.81 0.01 -0.04 0.00 0.50 0.00 0.00 28.75 30.03 2k3v h GLU 31 CO -0.49 0.35 0.95 0.35 -1.00 0.00 0.00 179.01 179.17 2k3v h PHE 32 N -0.46 0.00 -0.24 4.33 3.57 0.15 1.18 116.94 125.47 2k3v h PHE 32 Ca -0.01 0.00 -0.13 0.00 3.53 0.00 0.00 57.97 61.36 2k3v h PHE 32 Cb 0.42 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 39.16 2k3v h PHE 32 CO 0.06 0.00 -0.37 0.93 -2.23 0.00 0.00 178.31 176.71 2k3v h GLU 33 N 0.00 0.67 -0.88 1.11 3.07 -1.08 -2.98 114.58 114.49 2k3v h GLU 33 Ca 0.44 -0.40 0.21 0.00 -0.50 0.00 0.00 59.36 59.11 2k3v h GLU 33 Cb 2.33 0.04 -0.06 0.00 -0.84 0.00 0.00 28.75 30.22 2k3v h GLU 33 CO -0.00 1.02 0.60 1.96 -1.40 0.00 0.00 179.01 181.18 2k3v h GLN 34 N 0.38 0.29 -1.94 2.33 1.08 0.14 0.44 115.11 117.83 2k3v h GLN 34 Ca 0.02 -0.02 -0.38 0.00 -1.45 0.00 0.00 58.65 56.82 2k3v h GLN 34 Cb 0.96 -0.07 -0.14 0.00 -0.05 0.00 0.00 27.48 28.18 2k3v h GLN 34 CO 0.08 0.19 0.18 0.00 -0.95 0.00 0.00 178.83 178.34 2k3v n GLN 36 N 1.23 0.81 0.00 0.00 7.27 0.14 -4.44 117.38 122.39 2k3v n GLN 36 Ca 0.43 -2.60 0.00 0.00 0.07 0.00 0.00 57.00 54.90 2k3v n GLN 36 Cb 0.64 -1.35 0.00 0.00 2.41 0.00 0.00 30.24 31.95 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 1.19 0.00 0.01 1.69 2.88 -1.26 -4.82 113.62 113.30 2k3v n SER 37 Ca 0.16 0.00 0.07 0.00 -1.33 0.00 0.00 58.87 57.77 2k3v n SER 37 Cb 0.60 0.20 0.30 0.00 -0.75 0.00 0.00 64.21 64.57 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 -1.54 0.00 -0.91 0.00 -0.00 -1.26 -5.18 115.22 106.34 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 4.67 -0.25 3.55 -1.41 0.00 -1.26 -5.04 105.19 105.45 2k3v n GLY 40 Ca 0.00 -1.02 -0.30 0.00 0.00 0.00 0.00 46.02 44.70 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 4.25 0.53 1.61 0.15 -1.26 -4.35 113.70 110.62 2k3v s SER 41 Ca 0.00 -0.42 0.21 0.00 0.70 0.00 0.00 55.95 56.44 2k3v s SER 41 Cb 0.00 -0.76 1.34 0.00 -1.71 0.00 0.00 66.02 64.89 2k3v s SER 41 CO 0.00 0.19 2.07 -0.07 1.20 0.00 0.00 173.24 176.62 2k3v h LEU 42 N 3.75 0.00 0.00 3.45 3.38 -1.94 1.00 115.31 124.95 2k3v h LEU 42 Ca -0.49 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.48 2k3v h LEU 42 Cb 1.17 -0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.92 2k3v h LEU 42 CO 0.50 0.00 0.00 0.00 0.09 0.00 0.00 178.44 179.03 2k3v n ALA 43 N -2.60 2.07 -1.49 1.53 0.00 -1.26 -2.00 120.51 116.76 2k3v n ALA 43 Ca 0.04 -0.10 0.07 0.00 0.00 0.00 0.00 53.44 53.45 2k3v n ALA 43 Cb 0.38 -1.32 0.17 0.00 0.00 0.00 0.00 19.45 18.67 2k3v n ALA 43 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2k3v n GLU 44 N -1.24 1.33 -2.53 0.00 1.02 0.35 -4.97 120.64 114.59 2k3v n GLU 44 Ca 0.10 -2.90 -0.07 0.00 -0.02 0.00 0.00 57.16 54.28 2k3v n GLU 44 Cb 0.14 -1.44 -0.01 0.00 -0.02 0.00 0.00 31.44 30.11 2k3v n GLU 44 CO 0.00 0.00 0.00 -1.33 1.18 0.00 0.00 177.13 176.98 2k3v n MET 45 N -1.08 1.73 -0.45 3.49 2.81 -0.85 -4.78 117.12 117.99 2k3v n MET 45 Ca 0.16 -0.76 -0.24 0.00 -1.81 0.00 0.00 57.70 55.05 2k3v n MET 45 Cb 0.70 0.20 0.20 0.00 -0.71 0.00 0.00 33.22 33.61 2k3v n MET 45 CO 0.00 0.00 0.00 -0.25 1.51 0.00 0.00 175.97 177.23 2k3v n ASP 46 N -1.10 -3.21 -0.04 7.83 8.00 -1.26 -4.54 116.55 122.22 2k3v n ASP 46 Ca -0.04 -0.49 0.08 0.00 0.71 0.00 0.00 54.79 55.05 2k3v n ASP 46 Cb 0.13 -0.89 0.46 0.00 -0.02 0.00 0.00 41.12 40.80 2k3v n ASP 46 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 2k3v n ASP 47 N -2.94 0.12 -0.04 -2.24 8.00 -1.26 -1.94 116.55 116.25 2k3v n ASP 47 Ca 0.07 -1.52 0.03 0.00 0.71 0.00 0.00 54.79 54.08 2k3v n ASP 47 Cb 0.47 -0.01 -0.16 0.00 -0.02 0.00 0.00 41.12 41.40 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 -0.67 0.02 -0.07 -2.24 3.02 -1.26 -4.22 115.26 109.84 2k3v n ASN 48 Ca 0.12 0.01 -0.19 0.00 -0.03 0.00 0.00 54.58 54.49 2k3v n ASN 48 Cb 0.07 1.58 -0.13 0.00 -0.61 0.00 0.00 39.78 40.69 2k3v n ASN 48 CO 0.00 0.00 0.00 1.41 -2.62 0.00 0.00 177.26 176.05 2k3v n HIS 49 N -2.46 0.58 -0.00 3.10 8.25 -1.08 -4.43 115.22 119.18 2k3v n HIS 49 Ca -0.15 0.12 -0.01 0.00 -0.26 0.00 0.00 57.72 57.43 2k3v n HIS 49 Cb 0.79 -1.08 -0.01 0.00 1.12 0.00 0.00 29.99 30.82 2k3v n HIS 49 CO 0.00 0.00 0.00 0.87 0.64 0.00 0.00 176.34 177.85 2k3v h LYS 50 N 0.03 -0.03 -0.46 -0.41 1.57 -1.15 0.44 116.57 116.56 2k3v h LYS 50 Ca -0.51 0.00 0.13 0.00 -1.87 0.00 0.00 60.65 58.41 2k3v h LYS 50 Cb 1.97 0.01 -0.09 0.00 0.08 0.00 0.00 32.23 34.20 2k3v h LYS 50 CO -0.01 -0.02 0.04 -2.30 -0.57 0.00 0.00 179.45 176.59 2k3v n PRO 51 N -2.82 -0.04 -0.03 3.15 -0.02 -1.26 0.25 135.00 134.23 2k3v n PRO 51 Ca -0.00 0.68 -0.12 0.00 -2.02 0.00 0.00 63.50 62.04 2k3v n PRO 51 Cb 0.02 -1.10 -0.10 0.00 -0.02 0.00 0.00 33.50 32.30 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 -0.03 0.00 6.00 3.86 -1.40 -3.46 115.15 120.11 2k3v h HIS 52 Ca 0.29 -0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.50 2k3v h HIS 52 Cb 0.63 0.01 0.00 0.00 1.06 0.00 0.00 27.41 29.11 2k3v h HIS 52 CO -0.21 0.68 0.00 -3.47 0.86 0.00 0.00 177.93 175.79 2k3v n ASP 53 N -4.74 0.00 -0.37 2.45 2.03 0.69 -1.85 116.55 114.76 2k3v n ASP 53 Ca -0.09 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.22 2k3v n ASP 53 Cb 0.35 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.75 2k3v n ASP 53 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2k3v n GLY 54 N 0.00 0.51 2.08 0.27 0.00 -1.26 -4.92 105.19 101.87 2k3v n GLY 54 Ca 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 46.02 45.83 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 -0.37 -1.51 -4.19 0.99 4.77 -0.77 -5.14 117.00 110.79 2k3v n LEU 55 Ca 0.00 0.34 -0.22 0.00 -0.03 0.00 0.00 56.01 56.11 2k3v n LEU 55 Cb 0.19 1.68 -0.13 0.00 -2.33 0.00 0.00 43.42 42.82 2k3v n LEU 55 CO 0.00 -0.23 -0.48 -1.48 -1.33 0.00 0.00 177.39 173.87 2k3v s LEU 56 N -5.75 2.20 1.18 2.23 2.34 -1.26 -5.15 118.68 114.47 2k3v s LEU 56 Ca 0.00 -0.52 -0.20 0.00 0.06 0.00 0.00 54.13 53.48 2k3v s LEU 56 Cb 0.00 -0.71 0.29 0.00 -0.56 0.00 0.00 46.19 45.21 2k3v s LEU 56 CO 0.00 0.05 1.18 0.00 -1.06 0.00 0.00 176.35 176.52 2k3v s MET 57 N -1.30 -1.08 0.00 1.48 0.23 -1.26 -4.82 119.30 112.55 2k3v s MET 57 Ca 0.03 -0.28 0.00 0.00 -1.03 0.00 0.00 55.69 54.41 2k3v s MET 57 Cb -0.09 -1.63 0.00 0.00 -1.53 0.00 0.00 34.83 31.58 2k3v s MET 57 CO 0.02 -3.58 0.61 0.00 -2.03 0.00 0.00 175.02 170.04 2k3v n ALA 59 N -1.56 -0.15 -0.24 0.00 0.00 -1.26 0.33 120.51 117.63 2k3v n ALA 59 Ca 0.00 0.59 0.22 0.00 0.00 0.00 0.00 53.44 54.25 2k3v n ALA 59 Cb 0.00 -0.23 0.38 0.00 0.00 0.00 0.00 19.45 19.61 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 -4.87 0.18 -0.08 0.00 9.92 -1.22 0.41 116.55 120.88 2k3v n ASP 60 Ca 0.05 0.95 -0.13 0.00 -0.53 0.00 0.00 54.79 55.13 2k3v n ASP 60 Cb 0.23 -0.46 -0.04 0.00 -0.64 0.00 0.00 41.12 40.20 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 -4.25 1.93 -1.49 0.00 8.25 0.15 -4.88 115.22 114.93 2k3v n HIS 62 Ca -0.22 -2.66 -0.42 0.00 -0.26 0.00 0.00 57.72 54.16 2k3v n HIS 62 Cb 0.56 -2.12 -0.12 0.00 1.12 0.00 0.00 29.99 29.42 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 2.84 0.43 0.31 -1.41 0.00 0.17 -4.25 120.51 118.60 2k3v n ALA 63 Ca 0.67 -0.37 -0.16 0.00 0.00 0.00 0.00 53.44 53.58 2k3v n ALA 63 Cb 0.39 -2.46 -0.08 0.00 0.00 0.00 0.00 19.45 17.29 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 13.36 -0.77 -3.02 0.00 0.11 -1.85 1.49 132.00 141.31 2k3v h PRO 64 Ca -0.11 0.05 -0.64 0.00 0.11 0.00 0.00 66.00 65.42 2k3v h PRO 64 Cb 1.31 0.18 0.03 0.00 0.11 0.00 0.00 31.00 32.62 2k3v h PRO 64 CO 1.30 -0.46 3.70 0.72 -0.21 0.00 0.00 178.00 183.05 2k3v n HIS 65 N -5.37 2.29 0.00 0.65 8.25 -1.26 -3.32 115.22 116.47 2k3v n HIS 65 Ca -0.12 -2.98 0.00 0.00 -0.26 0.00 0.00 57.72 54.36 2k3v n HIS 65 Cb 0.35 -2.42 0.00 0.00 1.12 0.00 0.00 29.99 29.04 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 3.62 0.00 -1.53 -0.41 0.00 -1.21 -5.13 120.64 115.99 2k3v n GLU 66 Ca 0.75 0.00 -0.32 0.00 0.00 0.00 0.00 57.16 57.60 2k3v n GLU 66 Cb 0.23 0.00 0.07 0.00 0.00 0.00 0.00 31.44 31.74 2k3v n GLU 66 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 2k3v s ALA 67 N 0.00 2.41 -0.04 4.31 0.00 0.51 -4.94 121.76 124.01 2k3v s ALA 67 Ca 0.00 0.35 0.06 0.00 0.00 0.00 0.00 51.96 52.37 2k3v s ALA 67 Cb 0.00 -3.27 -0.01 0.00 0.00 0.00 0.00 23.12 19.83 2k3v s ALA 67 CO 0.00 -1.46 -0.23 -1.59 0.00 0.00 0.00 175.76 172.48 2k3v s LYS 68 N -4.58 2.14 0.01 0.00 -2.85 -1.26 -2.05 119.74 111.16 2k3v s LYS 68 Ca 0.63 -0.82 -0.31 0.00 -1.00 0.00 0.00 55.97 54.47 2k3v s LYS 68 Cb -0.18 -1.92 -0.16 0.00 -2.06 0.00 0.00 37.83 33.52 2k3v s LYS 68 CO 0.49 0.41 0.81 0.28 0.10 0.00 0.00 175.35 177.44 2k3v n VAL 69 N 2.80 0.09 -2.01 1.79 0.31 -1.21 -1.86 118.33 118.23 2k3v n VAL 69 Ca -0.17 -0.02 0.00 0.00 -0.01 0.00 0.00 64.34 64.14 2k3v n VAL 69 Cb 0.52 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.45 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 1.20 0.91 3.81 2.92 0.00 -1.26 -4.98 105.19 107.79 2k3v n GLY 70 Ca 0.16 -0.60 -0.34 0.00 0.00 0.00 0.00 46.02 45.24 2k3v n GLY 70 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2k3v s GLU 71 N -4.05 3.17 -0.57 1.61 2.12 -0.78 -5.07 118.70 115.12 2k3v s GLU 71 Ca 0.00 -0.41 0.01 0.00 0.36 0.00 0.00 54.97 54.93 2k3v s GLU 71 Cb 0.00 -2.93 0.14 0.00 0.26 0.00 0.00 34.13 31.60 2k3v s GLU 71 CO 0.00 0.67 0.34 0.15 -0.54 0.00 0.00 175.26 175.88 2k3v s LYS 72 N -1.64 2.25 0.20 4.30 1.02 -1.26 -5.05 119.74 119.55 2k3v s LYS 72 Ca 0.22 -2.61 -0.32 0.00 0.02 0.00 0.00 55.97 53.29 2k3v s LYS 72 Cb -0.12 -3.50 -0.16 0.00 -0.52 0.00 0.00 37.83 33.54 2k3v s LYS 72 CO 0.13 -1.14 1.08 -2.30 -0.92 0.00 0.00 175.35 172.20 2k3v n PRO 73 N 3.23 1.09 -3.65 -1.68 -0.02 -1.26 -4.95 135.00 127.76 2k3v n PRO 73 Ca 0.07 0.39 -0.38 0.00 -2.02 0.00 0.00 63.50 61.56 2k3v n PRO 73 Cb 0.34 -1.82 -0.06 0.00 -0.02 0.00 0.00 33.50 31.95 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 -0.44 5.22 0.12 3.45 -4.23 -1.26 -4.91 115.64 113.59 2k3v s THR 74 Ca 0.70 0.59 -0.14 0.00 -1.18 0.00 0.00 61.69 61.66 2k3v s THR 74 Cb -0.83 -3.59 -0.04 0.00 1.34 0.00 0.00 72.50 69.38 2k3v s THR 74 CO 0.54 0.59 1.51 0.00 -0.54 0.00 0.00 174.62 176.72 2k3v h ASP 76 N 0.57 0.00 -0.84 0.00 1.82 -1.64 2.17 116.42 118.50 2k3v h ASP 76 Ca 0.09 0.00 0.09 0.00 -0.39 0.00 0.00 57.03 56.82 2k3v h ASP 76 Cb 0.68 0.00 -0.07 0.00 0.68 0.00 0.00 39.33 40.62 2k3v h ASP 76 CO 0.05 0.00 0.49 0.74 -1.61 0.00 0.00 179.24 178.91 2k3v h THR 77 N 0.00 0.94 0.00 2.25 2.02 -1.84 -3.32 112.91 112.96 2k3v h THR 77 Ca 0.67 -0.29 -0.09 0.00 0.77 0.00 0.00 66.41 67.47 2k3v h THR 77 Cb 3.08 0.03 -0.01 0.00 -1.74 0.00 0.00 68.15 69.51 2k3v h THR 77 CO -0.01 0.15 -1.29 0.00 0.37 0.00 0.00 175.52 174.75 2k3v s HIS 79 N -2.10 3.29 -0.31 0.00 3.76 0.61 -4.86 115.29 115.69 2k3v s HIS 79 Ca -0.07 -1.50 0.00 0.00 -0.15 0.00 0.00 55.06 53.34 2k3v s HIS 79 Cb 0.03 -4.10 0.30 0.00 1.11 0.00 0.00 32.58 29.92 2k3v s HIS 79 CO 0.09 -1.31 1.79 -3.47 -0.85 0.00 0.00 174.74 170.99 2k3v n ASP 80 N 5.73 5.19 -1.06 1.40 -0.08 -1.25 -2.49 116.55 123.99 2k3v n ASP 80 Ca 0.15 -3.03 0.08 0.00 -1.51 0.00 0.00 54.79 50.49 2k3v n ASP 80 Cb 0.47 -0.89 0.28 0.00 2.34 0.00 0.00 41.12 43.33 2k3v n ASP 80 CO 0.00 0.00 0.00 -0.90 0.12 0.00 0.00 177.20 176.42 2k3v n ASP 81 N -0.06 4.18 0.00 1.67 5.75 -1.26 -4.90 116.55 121.93 2k3v n ASP 81 Ca 0.33 -2.98 0.00 0.00 -0.01 0.00 0.00 54.79 52.13 2k3v n ASP 81 Cb 0.83 -0.56 0.00 0.00 -1.03 0.00 0.00 41.12 40.36 2k3v n ASP 81 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2k3v n GLY 82 N -0.29 2.00 2.60 6.12 0.00 -1.26 -5.00 105.19 109.36 2k3v n GLY 82 Ca 0.22 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.82 2k3v n GLY 82 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2k3v n ARG 83 N -2.00 0.00 -4.23 1.61 3.00 -1.25 -4.94 116.66 108.84 2k3v n ARG 83 Ca 0.00 0.00 -0.16 0.00 -0.00 0.00 0.00 57.85 57.69 2k3v n ARG 83 Cb 0.00 -1.03 -0.11 0.00 0.00 0.00 0.00 32.46 31.33 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 -0.18 1.20 0.72 5.15 -4.23 -1.26 -4.11 115.64 112.92 2k3v s THR 84 Ca 0.63 -1.86 -0.14 0.00 -1.18 0.00 0.00 61.69 59.15 2k3v s THR 84 Cb -0.89 -1.64 0.03 0.00 1.34 0.00 0.00 72.50 71.35 2k3v s THR 84 CO 0.42 -0.58 1.13 0.00 -0.54 0.00 0.00 174.62 175.05 2k3v s ALA 85 N -2.70 2.28 -2.84 3.99 0.00 -1.26 -5.00 121.76 116.23 2k3v s ALA 85 Ca 0.12 0.55 0.25 0.00 0.00 0.00 0.00 51.96 52.88 2k3v s ALA 85 Cb -0.01 -3.35 0.46 0.00 0.00 0.00 0.00 23.12 20.22 2k3v s ALA 85 CO 0.02 -1.61 1.41 1.17 0.00 0.00 0.00 175.76 176.75