#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 -0.48 0.19 0.00 -0.00 -1.26 -5.14 116.67 109.98 2k3v s ASP 2 Ca 0.00 0.48 -0.30 0.00 -0.00 0.00 0.00 52.55 52.73 2k3v s ASP 2 Cb 0.00 0.45 -0.08 0.00 -0.00 0.00 0.00 42.92 43.29 2k3v s ASP 2 CO 0.00 -0.55 1.18 -1.83 -0.00 0.00 0.00 175.17 173.97 2k3v s GLU 3 N -1.24 4.51 1.00 8.23 -1.05 -1.26 -4.80 118.70 124.09 2k3v s GLU 3 Ca -0.12 1.85 -0.18 0.00 -0.15 0.00 0.00 54.97 56.36 2k3v s GLU 3 Cb -0.02 -3.24 -0.08 0.00 -0.44 0.00 0.00 34.13 30.35 2k3v s GLU 3 CO 0.08 -0.05 -0.52 0.25 0.95 0.00 0.00 175.26 175.97 2k3v n THR 4 N 2.43 0.00 -0.20 1.83 -2.24 -1.26 -2.84 114.28 112.00 2k3v n THR 4 Ca 0.04 -0.30 -0.07 0.00 -2.27 0.00 0.00 64.05 61.45 2k3v n THR 4 Cb 0.45 -0.24 0.08 0.00 -2.10 0.00 0.00 70.33 68.52 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 -1.29 0.98 -0.64 3.22 5.85 -1.47 -2.07 115.31 119.89 2k3v h LEU 5 Ca -0.44 -0.24 0.04 0.00 0.84 0.00 0.00 57.88 58.09 2k3v h LEU 5 Cb 1.32 -0.26 -0.05 0.00 0.37 0.00 0.00 40.66 42.04 2k3v h LEU 5 CO 0.28 0.99 0.37 0.00 -0.34 0.00 0.00 178.44 179.74 2k3v h ALA 6 N 1.12 0.85 0.94 1.25 0.00 -1.86 -1.79 119.26 119.78 2k3v h ALA 6 Ca 0.19 0.00 -0.05 0.00 0.00 0.00 0.00 54.91 55.05 2k3v h ALA 6 Cb 0.45 -0.15 0.01 0.00 0.00 0.00 0.00 17.79 18.09 2k3v h ALA 6 CO 0.02 0.08 -0.46 0.93 0.00 0.00 0.00 179.25 179.82 2k3v h GLU 7 N 0.71 -1.22 -1.00 0.00 5.08 -1.77 0.19 114.58 116.57 2k3v h GLU 7 Ca 0.28 0.08 0.34 0.00 -1.00 0.00 0.00 59.36 59.06 2k3v h GLU 7 Cb 0.11 0.28 -0.16 0.00 0.50 0.00 0.00 28.75 29.48 2k3v h GLU 7 CO -0.15 -0.81 0.55 0.35 -1.00 0.00 0.00 179.01 177.95 2k3v h PHE 8 N -1.27 0.88 -0.16 4.33 3.57 -1.13 1.16 116.94 124.33 2k3v h PHE 8 Ca -0.13 0.04 -0.21 0.00 3.53 0.00 0.00 57.97 61.20 2k3v h PHE 8 Cb 0.97 -0.22 0.01 0.00 2.79 0.00 0.00 35.95 39.50 2k3v h PHE 8 CO -0.01 -0.25 -0.74 0.45 -2.23 0.00 0.00 178.31 175.53 2k3v h HIS 9 N 0.25 0.99 0.26 0.41 3.86 -0.95 -3.14 115.15 116.83 2k3v h HIS 9 Ca 0.75 -0.43 0.01 0.00 -1.16 0.00 0.00 60.37 59.54 2k3v h HIS 9 Cb 1.78 -0.16 -0.03 0.00 1.06 0.00 0.00 27.41 30.06 2k3v h HIS 9 CO -0.02 1.25 -0.33 0.28 0.86 0.00 0.00 177.93 179.97 2k3v h VAL 10 N 0.51 0.32 0.00 2.45 2.07 0.44 0.15 116.25 122.20 2k3v h VAL 10 Ca -0.04 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.48 2k3v h VAL 10 Cb 1.36 0.32 0.00 0.00 -1.52 0.00 0.00 31.29 31.45 2k3v h VAL 10 CO 0.15 0.00 0.36 -0.08 0.02 0.00 0.00 177.57 178.03 2k3v h GLU 11 N -0.64 0.00 -0.57 1.57 4.57 -0.92 1.62 114.58 120.21 2k3v h GLU 11 Ca -0.00 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 2k3v h GLU 11 Cb 0.60 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.19 2k3v h GLU 11 CO -0.11 0.00 0.00 -1.33 -1.18 0.00 0.00 179.01 176.39 2k3v n MET 12 N -2.86 4.19 0.00 1.92 2.81 0.48 -4.87 117.12 118.79 2k3v n MET 12 Ca -0.02 -3.00 0.00 0.00 -1.81 0.00 0.00 57.70 52.87 2k3v n MET 12 Cb 0.41 -2.05 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 0.73 -1.96 0.00 3.03 0.00 0.51 -5.03 105.19 102.46 2k3v n GLY 13 Ca 0.26 0.65 0.00 0.00 0.00 0.00 0.00 46.02 46.93 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 -0.67 0.18 -0.02 0.00 0.14 -4.90 105.19 99.92 2k3v n GLY 14 Ca 0.00 -1.22 0.13 0.00 0.00 0.00 0.00 46.02 44.93 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 -2.66 1.27 0.19 0.00 1.02 -1.26 -2.93 120.64 116.26 2k3v n GLU 16 Ca 0.04 -0.36 0.06 0.00 -0.02 0.00 0.00 57.16 56.88 2k3v n GLU 16 Cb 0.40 -1.16 0.32 0.00 -0.02 0.00 0.00 31.44 30.97 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 0.55 0.00 0.00 1.62 -1.24 -1.85 -3.31 115.58 111.36 2k3v h ASN 17 Ca 0.00 0.00 -0.11 0.00 0.71 0.00 0.00 56.30 56.90 2k3v h ASN 17 Cb 0.22 0.00 -0.20 0.00 0.73 0.00 0.00 38.32 39.07 2k3v h ASN 17 CO 0.01 0.38 -0.60 0.00 -1.29 0.00 0.00 177.43 175.93 2k3v s HIS 19 N 0.00 -0.27 -0.27 0.00 3.76 -1.15 -4.85 115.29 112.50 2k3v s HIS 19 Ca 0.14 0.67 -0.13 0.00 -0.15 0.00 0.00 55.06 55.59 2k3v s HIS 19 Cb 0.16 0.07 -0.04 0.00 1.11 0.00 0.00 32.58 33.88 2k3v s HIS 19 CO -0.07 -0.16 0.30 0.00 -0.85 0.00 0.00 174.74 173.96 2k3v s ALA 20 N 0.55 3.55 -1.87 -1.40 0.00 -1.26 -4.16 121.76 117.17 2k3v s ALA 20 Ca -0.03 -0.93 -0.23 0.00 0.00 0.00 0.00 51.96 50.76 2k3v s ALA 20 Cb -0.05 -2.61 0.23 0.00 0.00 0.00 0.00 23.12 20.69 2k3v s ALA 20 CO -0.03 -0.61 0.62 -0.25 0.00 0.00 0.00 175.76 175.49 2k3v n ASP 21 N 5.21 -1.99 -3.41 0.00 9.92 -1.26 0.23 116.55 125.26 2k3v n ASP 21 Ca -0.11 -1.22 -0.20 0.00 -0.53 0.00 0.00 54.79 52.73 2k3v n ASP 21 Cb 0.51 -1.74 0.06 0.00 -0.64 0.00 0.00 41.12 39.32 2k3v n ASP 21 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2k3v n GLY 22 N -1.11 -1.03 2.30 0.44 0.00 -1.26 -4.98 105.19 99.55 2k3v n GLY 22 Ca 0.11 0.50 -0.24 0.00 0.00 0.00 0.00 46.02 46.40 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 -3.60 0.54 -1.72 1.61 2.13 0.14 -5.10 120.64 114.62 2k3v n GLU 23 Ca -0.10 -3.09 -0.62 0.00 0.66 0.00 0.00 57.16 54.01 2k3v n GLU 23 Cb 0.62 -1.38 -0.08 0.00 0.27 0.00 0.00 31.44 30.86 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 1.93 0.65 -1.45 5.31 -0.02 -1.26 -4.36 135.00 135.80 2k3v n PRO 24 Ca 0.23 0.24 -0.39 0.00 -2.02 0.00 0.00 63.50 61.56 2k3v n PRO 24 Cb 0.52 -1.84 0.03 0.00 -0.02 0.00 0.00 33.50 32.19 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 4.69 -1.17 -2.07 2.55 3.41 -1.26 -4.85 113.62 114.91 2k3v n SER 25 Ca 0.28 0.76 -0.14 0.00 -0.26 0.00 0.00 58.87 59.52 2k3v n SER 25 Cb 0.05 -1.14 0.24 0.00 -0.26 0.00 0.00 64.21 63.09 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 0.18 2.97 0.09 4.33 2.85 -1.26 -4.45 118.16 122.87 2k3v n LYS 26 Ca 0.11 -2.91 0.00 0.00 -1.05 0.00 0.00 58.31 54.46 2k3v n LYS 26 Cb 0.46 -2.16 0.00 0.00 -0.65 0.00 0.00 35.03 32.68 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 -0.56 -0.07 0.00 -5.58 5.68 -1.26 -5.07 116.55 109.69 2k3v n ASP 27 Ca 0.48 0.32 0.00 0.00 -0.50 0.00 0.00 54.79 55.08 2k3v n ASP 27 Cb 1.48 0.25 0.00 0.00 -1.14 0.00 0.00 41.12 41.71 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 1.63 1.24 0.27 6.12 0.00 -1.26 -4.95 105.19 108.23 2k3v n GLY 28 Ca 0.00 -0.16 -0.06 0.00 0.00 0.00 0.00 46.02 45.80 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 0.83 -0.67 4.61 0.00 -1.97 -0.67 119.26 121.39 2k3v h ALA 29 Ca 0.00 -0.08 0.12 0.00 0.00 0.00 0.00 54.91 54.95 2k3v h ALA 29 Cb 0.00 -0.26 -0.09 0.00 0.00 0.00 0.00 17.79 17.44 2k3v h ALA 29 CO 0.00 0.31 0.21 -0.92 0.00 0.00 0.00 179.25 178.86 2k3v h TYR 30 N 0.88 0.35 -0.06 0.00 3.20 -1.98 -1.57 116.97 117.80 2k3v h TYR 30 Ca 0.23 0.04 -0.02 0.00 3.14 0.00 0.00 58.73 62.12 2k3v h TYR 30 Cb -0.01 -0.06 -0.00 0.00 1.54 0.00 0.00 36.73 38.20 2k3v h TYR 30 CO -0.01 0.02 -0.03 0.93 -1.64 0.00 0.00 178.16 177.43 2k3v h GLU 31 N 0.35 0.12 -0.67 1.82 3.07 -1.76 -2.81 114.58 114.71 2k3v h GLU 31 Ca 0.36 -0.05 0.19 0.00 -0.50 0.00 0.00 59.36 59.36 2k3v h GLU 31 Cb 0.52 -0.00 -0.03 0.00 -0.84 0.00 0.00 28.75 28.40 2k3v h GLU 31 CO -0.39 0.50 0.86 0.35 -1.40 0.00 0.00 179.01 178.92 2k3v h PHE 32 N -0.26 0.00 -0.22 4.33 3.57 -0.19 1.17 116.94 125.34 2k3v h PHE 32 Ca 0.01 0.00 -0.16 0.00 3.53 0.00 0.00 57.97 61.35 2k3v h PHE 32 Cb 0.46 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.20 2k3v h PHE 32 CO 0.07 0.00 -0.49 0.93 -2.23 0.00 0.00 178.31 176.59 2k3v h GLU 33 N 0.00 0.71 -0.84 1.11 4.39 -1.09 -3.04 114.58 115.82 2k3v h GLU 33 Ca 0.32 -0.48 0.18 0.00 0.34 0.00 0.00 59.36 59.72 2k3v h GLU 33 Cb 2.04 0.07 -0.06 0.00 -0.10 0.00 0.00 28.75 30.69 2k3v h GLU 33 CO -0.00 1.10 0.56 1.96 -1.16 0.00 0.00 179.01 181.47 2k3v h GLN 34 N 0.43 0.38 -1.99 2.33 1.08 0.13 -0.52 115.11 116.96 2k3v h GLN 34 Ca -0.00 -0.02 -0.36 0.00 -1.45 0.00 0.00 58.65 56.82 2k3v h GLN 34 Cb 1.10 -0.09 -0.13 0.00 -0.05 0.00 0.00 27.48 28.32 2k3v h GLN 34 CO 0.11 0.25 0.05 0.00 -0.95 0.00 0.00 178.83 178.29 2k3v n GLN 36 N 1.57 0.98 0.00 0.00 7.27 -0.20 -4.43 117.38 122.57 2k3v n GLN 36 Ca 0.45 -2.65 0.00 0.00 0.07 0.00 0.00 57.00 54.87 2k3v n GLN 36 Cb 0.71 -1.37 0.00 0.00 2.41 0.00 0.00 30.24 31.99 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 0.38 0.00 0.05 1.69 2.88 -1.26 -4.78 113.62 112.58 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 0.68 0.26 0.32 0.00 -0.75 0.00 0.00 64.21 64.72 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 -1.76 0.00 -0.71 0.00 -0.00 -1.26 -5.17 115.22 106.32 2k3v n HIS 39 Ca 0.02 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.74 2k3v n HIS 39 Cb 0.14 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 30.13 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 4.58 0.00 3.68 -1.41 0.00 -1.26 -5.03 105.19 105.75 2k3v n GLY 40 Ca 0.00 -1.18 -0.29 0.00 0.00 0.00 0.00 46.02 44.55 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 4.93 0.54 1.61 0.15 -1.26 -4.34 113.70 111.32 2k3v s SER 41 Ca 0.00 -0.25 0.20 0.00 0.70 0.00 0.00 55.95 56.60 2k3v s SER 41 Cb 0.00 -1.13 1.41 0.00 -1.71 0.00 0.00 66.02 64.59 2k3v s SER 41 CO 0.00 0.14 2.16 -0.07 1.20 0.00 0.00 173.24 176.68 2k3v h LEU 42 N 3.18 0.00 0.00 3.45 3.38 -1.94 0.56 115.31 123.93 2k3v h LEU 42 Ca -0.48 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.49 2k3v h LEU 42 Cb 1.18 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.93 2k3v h LEU 42 CO 0.59 0.00 0.00 0.00 0.09 0.00 0.00 178.44 179.12 2k3v n ALA 43 N -2.49 2.01 -1.55 1.53 0.00 -1.26 -1.87 120.51 116.88 2k3v n ALA 43 Ca -0.02 -0.09 0.07 0.00 0.00 0.00 0.00 53.44 53.39 2k3v n ALA 43 Cb 0.12 -1.29 0.16 0.00 0.00 0.00 0.00 19.45 18.44 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 -1.24 1.28 -2.69 0.00 0.00 0.19 -4.97 120.64 113.22 2k3v n GLU 44 Ca 0.09 -2.86 -0.08 0.00 0.00 0.00 0.00 57.16 54.31 2k3v n GLU 44 Cb 0.13 -1.38 -0.02 0.00 0.00 0.00 0.00 31.44 30.17 2k3v n GLU 44 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.13 175.80 2k3v n MET 45 N -1.01 1.68 -0.50 5.31 2.81 -0.78 -4.81 117.12 119.81 2k3v n MET 45 Ca 0.16 -0.95 -0.20 0.00 -1.81 0.00 0.00 57.70 54.90 2k3v n MET 45 Cb 0.72 0.26 0.17 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 -1.09 -3.11 -0.12 7.83 5.75 -1.26 -4.53 116.55 120.01 2k3v n ASP 46 Ca -0.05 -0.43 0.08 0.00 -0.01 0.00 0.00 54.79 54.38 2k3v n ASP 46 Cb 0.17 -0.81 0.44 0.00 -1.03 0.00 0.00 41.12 39.89 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 -1.87 0.37 -0.04 -1.12 5.75 -1.26 -2.16 116.55 116.22 2k3v n ASP 47 Ca 0.06 -1.56 0.04 0.00 -0.01 0.00 0.00 54.79 53.32 2k3v n ASP 47 Cb 0.39 -0.03 -0.16 0.00 -1.03 0.00 0.00 41.12 40.30 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 -0.50 0.17 -0.05 -1.12 3.02 -1.26 -4.23 115.26 111.28 2k3v n ASN 48 Ca 0.13 0.00 -0.19 0.00 -0.03 0.00 0.00 54.58 54.48 2k3v n ASN 48 Cb 0.11 1.63 -0.13 0.00 -0.61 0.00 0.00 39.78 40.78 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 -2.40 0.76 -0.00 3.10 8.25 -1.12 -4.36 115.22 119.45 2k3v n HIS 49 Ca -0.13 0.17 -0.01 0.00 -0.26 0.00 0.00 57.72 57.48 2k3v n HIS 49 Cb 0.75 -1.10 -0.01 0.00 1.12 0.00 0.00 29.99 30.75 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 0.04 -0.04 -0.52 -0.41 1.57 -1.21 0.57 116.57 116.56 2k3v h LYS 50 Ca -0.48 0.00 0.16 0.00 -1.87 0.00 0.00 60.65 58.46 2k3v h LYS 50 Cb 1.99 0.01 -0.10 0.00 0.08 0.00 0.00 32.23 34.22 2k3v h LYS 50 CO 0.02 -0.03 0.07 -2.30 -0.57 0.00 0.00 179.45 176.64 2k3v n PRO 51 N -2.78 -0.04 -0.04 3.15 -0.02 -1.26 0.26 135.00 134.27 2k3v n PRO 51 Ca -0.00 0.77 -0.14 0.00 -2.02 0.00 0.00 63.50 62.10 2k3v n PRO 51 Cb 0.03 -1.25 -0.12 0.00 -0.02 0.00 0.00 33.50 32.14 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 0.08 0.00 6.00 3.86 -1.44 -3.46 115.15 120.19 2k3v h HIS 52 Ca 0.34 -0.05 0.00 0.00 -1.16 0.00 0.00 60.37 59.51 2k3v h HIS 52 Cb 0.76 -0.01 0.00 0.00 1.06 0.00 0.00 27.41 29.23 2k3v h HIS 52 CO -0.21 0.88 0.00 -3.47 0.86 0.00 0.00 177.93 176.00 2k3v n ASP 53 N -4.62 0.00 -0.53 2.45 -0.08 0.72 -1.81 116.55 112.69 2k3v n ASP 53 Ca -0.10 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.18 2k3v n ASP 53 Cb 0.45 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.91 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 0.00 0.61 2.09 0.27 0.00 -1.26 -4.94 105.19 101.97 2k3v n GLY 54 Ca 0.00 -0.33 0.00 0.00 0.00 0.00 0.00 46.02 45.69 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 -0.53 -1.70 -4.24 0.99 4.77 -0.75 -5.14 117.00 110.40 2k3v n LEU 55 Ca 0.00 0.39 -0.20 0.00 -0.03 0.00 0.00 56.01 56.18 2k3v n LEU 55 Cb 0.23 1.83 -0.12 0.00 -2.33 0.00 0.00 43.42 43.03 2k3v n LEU 55 CO 0.00 -0.20 -0.47 -1.48 -1.33 0.00 0.00 177.39 173.91 2k3v s LEU 56 N -5.88 2.34 0.92 2.23 2.34 -1.26 -5.15 118.68 114.22 2k3v s LEU 56 Ca 0.00 -0.72 -0.13 0.00 0.06 0.00 0.00 54.13 53.33 2k3v s LEU 56 Cb 0.00 -0.63 0.15 0.00 -0.56 0.00 0.00 46.19 45.14 2k3v s LEU 56 CO 0.00 -0.07 1.16 -0.04 -1.06 0.00 0.00 176.35 176.34 2k3v s MET 57 N -2.21 1.06 0.01 1.48 -1.94 -1.26 -4.87 119.30 111.57 2k3v s MET 57 Ca 0.05 0.17 -0.06 0.00 -1.71 0.00 0.00 55.69 54.14 2k3v s MET 57 Cb -0.08 -1.84 -0.03 0.00 2.01 0.00 0.00 34.83 34.89 2k3v s MET 57 CO 0.03 -2.23 1.05 0.00 -0.01 0.00 0.00 175.02 173.87 2k3v n ALA 59 N -2.11 -0.02 -0.51 0.00 0.00 -1.26 0.26 120.51 116.87 2k3v n ALA 59 Ca -0.03 0.99 0.40 0.00 0.00 0.00 0.00 53.44 54.80 2k3v n ALA 59 Cb 0.08 -0.49 0.63 0.00 0.00 0.00 0.00 19.45 19.67 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 -5.46 0.07 -0.06 0.00 9.92 -1.15 0.42 116.55 120.28 2k3v n ASP 60 Ca 0.11 0.94 -0.12 0.00 -0.53 0.00 0.00 54.79 55.19 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 -3.97 1.68 -1.50 0.00 8.25 0.40 -4.88 115.22 115.19 2k3v n HIS 62 Ca -0.22 -2.38 -0.39 0.00 -0.26 0.00 0.00 57.72 54.47 2k3v n HIS 62 Cb 0.54 -1.87 -0.15 0.00 1.12 0.00 0.00 29.99 29.63 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 2.28 0.38 0.33 -1.41 0.00 0.17 -4.34 120.51 117.91 2k3v n ALA 63 Ca 0.60 -0.37 -0.16 0.00 0.00 0.00 0.00 53.44 53.50 2k3v n ALA 63 Cb 0.48 -2.36 -0.08 0.00 0.00 0.00 0.00 19.45 17.49 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 12.55 -0.80 -2.91 0.00 0.11 -1.87 1.49 132.00 140.56 2k3v h PRO 64 Ca -0.06 0.05 -0.58 0.00 0.11 0.00 0.00 66.00 65.52 2k3v h PRO 64 Cb 1.29 0.18 0.02 0.00 0.11 0.00 0.00 31.00 32.60 2k3v h PRO 64 CO 1.38 -0.49 3.22 0.72 -0.21 0.00 0.00 178.00 182.63 2k3v n HIS 65 N -5.39 2.02 0.00 0.65 8.25 -1.26 -3.28 115.22 116.22 2k3v n HIS 65 Ca -0.12 -2.79 0.00 0.00 -0.26 0.00 0.00 57.72 54.55 2k3v n HIS 65 Cb 0.36 -2.31 0.00 0.00 1.12 0.00 0.00 29.99 29.16 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 3.50 0.00 -0.86 -0.41 0.00 -1.20 -5.12 120.64 116.55 2k3v n GLU 66 Ca 0.71 0.00 -0.29 0.00 0.00 0.00 0.00 57.16 57.58 2k3v n GLU 66 Cb 0.30 0.00 0.20 0.00 0.00 0.00 0.00 31.44 31.94 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 0.61 -0.03 4.31 0.00 0.51 -4.92 121.76 122.24 2k3v s ALA 67 Ca 0.00 -0.04 0.03 0.00 0.00 0.00 0.00 51.96 51.95 2k3v s ALA 67 Cb 0.00 -3.24 0.00 0.00 0.00 0.00 0.00 23.12 19.88 2k3v s ALA 67 CO 0.00 -3.11 -0.10 -1.59 0.00 0.00 0.00 175.76 170.96 2k3v s LYS 68 N -4.70 1.03 0.01 0.00 -2.85 -1.26 -2.52 119.74 109.44 2k3v s LYS 68 Ca 0.66 -0.33 -0.33 0.00 -1.00 0.00 0.00 55.97 54.97 2k3v s LYS 68 Cb -0.22 -0.95 -0.17 0.00 -2.06 0.00 0.00 37.83 34.43 2k3v s LYS 68 CO 0.60 0.12 0.88 0.28 0.10 0.00 0.00 175.35 177.33 2k3v n VAL 69 N 3.30 0.07 -2.00 1.79 0.31 -1.13 -1.77 118.33 118.91 2k3v n VAL 69 Ca -0.18 -0.02 0.00 0.00 -0.01 0.00 0.00 64.34 64.13 2k3v n VAL 69 Cb 0.54 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.47 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 1.28 0.89 3.64 2.92 0.00 -1.26 -4.92 105.19 107.74 2k3v n GLY 70 Ca 0.17 -0.61 -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 -0.54 0.00 0.00 0.00 173.32 172.78 2k3v s GLU 71 N -4.03 2.80 -0.63 1.61 0.41 -0.73 -5.07 118.70 113.06 2k3v s GLU 71 Ca 0.00 -0.54 -0.02 0.00 -0.41 0.00 0.00 54.97 54.00 2k3v s GLU 71 Cb 0.00 -2.66 0.16 0.00 -1.78 0.00 0.00 34.13 29.86 2k3v s GLU 71 CO 0.00 0.66 0.44 0.15 -0.49 0.00 0.00 175.26 176.02 2k3v s LYS 72 N -1.08 2.54 0.55 1.61 1.02 -1.26 -5.03 119.74 118.10 2k3v s LYS 72 Ca 0.15 -2.57 -0.15 0.00 0.02 0.00 0.00 55.97 53.41 2k3v s LYS 72 Cb -0.11 -3.70 -0.13 0.00 -0.52 0.00 0.00 37.83 33.36 2k3v s LYS 72 CO 0.04 -1.17 -0.27 -2.30 -0.92 0.00 0.00 175.35 170.74 2k3v n PRO 73 N 3.40 0.00 -4.39 -1.68 -0.02 -1.26 -4.93 135.00 126.12 2k3v n PRO 73 Ca 0.08 0.00 -0.34 0.00 -2.02 0.00 0.00 63.50 61.22 2k3v n PRO 73 Cb 0.37 -0.87 -0.13 0.00 -0.02 0.00 0.00 33.50 32.86 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 -1.73 3.70 0.13 3.45 -4.23 -1.26 -4.91 115.64 110.78 2k3v s THR 74 Ca 0.45 -0.42 -0.12 0.00 -1.18 0.00 0.00 61.69 60.42 2k3v s THR 74 Cb -0.36 -2.62 -0.04 0.00 1.34 0.00 0.00 72.50 70.82 2k3v s THR 74 CO 0.61 0.48 1.49 0.00 -0.54 0.00 0.00 174.62 176.66 2k3v h ASP 76 N 0.66 0.00 -0.62 0.00 3.32 -1.63 2.82 116.42 120.97 2k3v h ASP 76 Ca 0.08 0.00 -0.03 0.00 0.02 0.00 0.00 57.03 57.10 2k3v h ASP 76 Cb 0.83 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 40.36 2k3v h ASP 76 CO 0.07 0.00 0.27 0.74 -1.72 0.00 0.00 179.24 178.60 2k3v h THR 77 N 0.00 1.22 0.00 0.35 2.02 -1.84 -3.32 112.91 111.35 2k3v h THR 77 Ca 0.53 -0.67 -0.20 0.00 0.77 0.00 0.00 66.41 66.84 2k3v h THR 77 Cb 2.73 0.52 -0.03 0.00 -1.74 0.00 0.00 68.15 69.63 2k3v h THR 77 CO -0.01 0.27 -1.56 0.00 0.37 0.00 0.00 175.52 174.59 2k3v s HIS 79 N -2.39 3.17 -0.30 0.00 3.76 0.80 -4.86 115.29 115.46 2k3v s HIS 79 Ca -0.22 -1.32 -0.00 0.00 -0.15 0.00 0.00 55.06 53.37 2k3v s HIS 79 Cb 0.07 -4.12 0.27 0.00 1.11 0.00 0.00 32.58 29.90 2k3v s HIS 79 CO 0.29 -1.36 1.84 -0.25 -0.85 0.00 0.00 174.74 174.41 2k3v n ASP 80 N 6.09 5.51 -0.76 1.40 9.92 -1.25 -2.81 116.55 134.66 2k3v n ASP 80 Ca 0.11 -3.02 0.06 0.00 -0.53 0.00 0.00 54.79 51.41 2k3v n ASP 80 Cb 0.47 -0.93 0.22 0.00 -0.64 0.00 0.00 41.12 40.24 2k3v n ASP 80 CO 0.00 0.00 0.00 -0.90 0.13 0.00 0.00 177.20 176.43 2k3v n ASP 81 N 0.07 3.24 0.00 -2.24 5.68 -1.26 -4.91 116.55 117.13 2k3v n ASP 81 Ca 0.32 -3.20 0.00 0.00 -0.50 0.00 0.00 54.79 51.41 2k3v n ASP 81 Cb 0.75 -0.54 0.00 0.00 -1.14 0.00 0.00 41.12 40.19 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 -0.84 2.35 2.74 6.12 0.00 -1.25 -4.99 105.19 109.32 2k3v n GLY 82 Ca 0.22 0.00 -0.47 0.00 0.00 0.00 0.00 46.02 45.77 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 -4.21 1.61 3.00 -1.25 -4.93 116.66 108.88 2k3v n ARG 83 Ca 0.00 0.00 -0.14 0.00 -0.00 0.00 0.00 57.85 57.71 2k3v n ARG 83 Cb 0.00 -1.16 -0.11 0.00 0.00 0.00 0.00 32.46 31.19 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 0.44 1.04 0.64 5.15 -4.23 -1.26 -3.90 115.64 113.52 2k3v s THR 84 Ca 0.72 -1.80 -0.18 0.00 -1.18 0.00 0.00 61.69 59.25 2k3v s THR 84 Cb -1.02 -1.56 -0.01 0.00 1.34 0.00 0.00 72.50 71.25 2k3v s THR 84 CO 0.48 -0.62 1.24 0.00 -0.54 0.00 0.00 174.62 175.17 2k3v s ALA 85 N -2.77 2.41 0.00 3.99 0.00 -1.26 -5.02 121.76 119.10 2k3v s ALA 85 Ca 0.10 1.05 0.00 0.00 0.00 0.00 0.00 51.96 53.11 2k3v s ALA 85 Cb -0.01 -3.49 0.00 0.00 0.00 0.00 0.00 23.12 19.62 2k3v s ALA 85 CO 0.00 -1.45 0.39 1.63 0.00 0.00 0.00 175.76 176.33