#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 0.22 0.35 0.00 2.15 -1.26 -5.13 116.67 113.00 2k3v s ASP 2 Ca 0.00 -0.53 -0.29 0.00 0.43 0.00 0.00 52.55 52.16 2k3v s ASP 2 Cb 0.00 0.16 -0.11 0.00 -0.30 0.00 0.00 42.92 42.67 2k3v s ASP 2 CO 0.00 -0.41 1.52 -1.83 -0.17 0.00 0.00 175.17 174.28 2k3v s GLU 3 N -2.08 4.11 0.90 4.34 -1.05 -1.26 -4.63 118.70 119.03 2k3v s GLU 3 Ca -0.10 2.58 -0.14 0.00 -0.15 0.00 0.00 54.97 57.16 2k3v s GLU 3 Cb -0.05 -2.98 -0.02 0.00 -0.44 0.00 0.00 34.13 30.64 2k3v s GLU 3 CO -0.03 -0.56 0.18 0.25 0.95 0.00 0.00 175.26 176.05 2k3v n THR 4 N 0.94 0.36 -0.26 1.83 -2.24 -1.26 -2.77 114.28 110.88 2k3v n THR 4 Ca 0.03 -0.30 -0.03 0.00 -2.27 0.00 0.00 64.05 61.48 2k3v n THR 4 Cb 0.39 -0.51 0.08 0.00 -2.10 0.00 0.00 70.33 68.19 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 -1.17 0.76 -0.50 3.22 5.85 -1.59 -0.11 115.31 121.77 2k3v h LEU 5 Ca -0.44 -0.00 0.05 0.00 0.84 0.00 0.00 57.88 58.32 2k3v h LEU 5 Cb 1.30 -0.17 -0.04 0.00 0.37 0.00 0.00 40.66 42.12 2k3v h LEU 5 CO 0.34 0.53 0.25 0.00 -0.34 0.00 0.00 178.44 179.21 2k3v h ALA 6 N 1.31 0.64 0.34 1.25 0.00 -1.88 -1.17 119.26 119.74 2k3v h ALA 6 Ca 0.29 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.21 2k3v h ALA 6 Cb 0.01 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 17.74 2k3v h ALA 6 CO -0.11 -0.10 -0.19 0.93 0.00 0.00 0.00 179.25 179.78 2k3v h GLU 7 N 0.48 -0.48 -1.01 0.00 5.08 -1.61 0.19 114.58 117.23 2k3v h GLU 7 Ca 0.22 0.03 0.24 0.00 -1.00 0.00 0.00 59.36 58.85 2k3v h GLU 7 Cb 0.14 0.11 -0.11 0.00 0.50 0.00 0.00 28.75 29.38 2k3v h GLU 7 CO -0.16 -0.32 0.62 0.35 -1.00 0.00 0.00 179.01 178.50 2k3v h PHE 8 N -0.50 0.94 -0.11 4.33 3.57 -0.63 0.45 116.94 125.00 2k3v h PHE 8 Ca -0.04 0.03 -0.21 0.00 3.53 0.00 0.00 57.97 61.29 2k3v h PHE 8 Cb 0.40 -0.27 0.00 0.00 2.79 0.00 0.00 35.95 38.87 2k3v h PHE 8 CO -0.07 0.10 -0.77 0.45 -2.23 0.00 0.00 178.31 175.79 2k3v h HIS 9 N 0.57 0.81 0.29 0.41 3.86 -0.67 -3.17 115.15 117.26 2k3v h HIS 9 Ca 0.62 -0.36 0.00 0.00 -1.16 0.00 0.00 60.37 59.47 2k3v h HIS 9 Cb 1.23 -0.12 -0.02 0.00 1.06 0.00 0.00 27.41 29.55 2k3v h HIS 9 CO -0.00 1.16 -0.29 0.28 0.86 0.00 0.00 177.93 179.94 2k3v h VAL 10 N 0.41 0.39 -0.00 2.45 2.07 0.30 0.97 116.25 122.82 2k3v h VAL 10 Ca -0.05 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.48 2k3v h VAL 10 Cb 1.37 0.39 -0.00 0.00 -1.52 0.00 0.00 31.29 31.53 2k3v h VAL 10 CO 0.15 0.00 0.37 -0.08 0.02 0.00 0.00 177.57 178.03 2k3v h GLU 11 N -0.61 0.00 -0.56 1.57 4.81 -1.03 1.59 114.58 120.34 2k3v h GLU 11 Ca -0.01 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.22 2k3v h GLU 11 Cb 0.56 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.94 2k3v h GLU 11 CO -0.06 0.00 0.00 -1.33 -0.73 0.00 0.00 179.01 176.89 2k3v n MET 12 N -2.88 4.24 0.00 1.92 2.81 0.28 -4.88 117.12 118.62 2k3v n MET 12 Ca -0.02 -3.02 0.00 0.00 -1.81 0.00 0.00 57.70 52.86 2k3v n MET 12 Cb 0.42 -2.07 0.00 0.00 -0.71 0.00 0.00 33.22 30.85 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 0.67 -2.03 0.00 3.03 0.00 0.51 -5.03 105.19 102.32 2k3v n GLY 13 Ca 0.26 0.66 0.00 0.00 0.00 0.00 0.00 46.02 46.94 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 -1.00 0.12 -0.02 0.00 0.97 -4.91 105.19 100.34 2k3v n GLY 14 Ca 0.00 -1.14 0.13 0.00 0.00 0.00 0.00 46.02 45.00 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 -2.25 1.59 0.20 0.00 4.71 -1.26 -3.09 120.64 120.54 2k3v n GLU 16 Ca 0.04 -0.69 0.07 0.00 -0.01 0.00 0.00 57.16 56.58 2k3v n GLU 16 Cb 0.34 -1.32 0.31 0.00 -1.01 0.00 0.00 31.44 29.76 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 1.02 0.00 0.00 1.62 -1.24 -1.84 -3.32 115.58 111.83 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 0.45 0.00 -0.18 0.00 0.73 0.00 0.00 38.32 39.32 2k3v h ASN 17 CO 0.04 0.31 -0.56 0.00 -1.29 0.00 0.00 177.43 175.93 2k3v s HIS 19 N 0.00 -0.32 -0.24 0.00 3.76 -1.18 -4.84 115.29 112.48 2k3v s HIS 19 Ca 0.12 0.77 -0.17 0.00 -0.15 0.00 0.00 55.06 55.64 2k3v s HIS 19 Cb 0.14 0.03 -0.03 0.00 1.11 0.00 0.00 32.58 33.83 2k3v s HIS 19 CO -0.06 -0.23 0.44 0.00 -0.85 0.00 0.00 174.74 174.04 2k3v s ALA 20 N 1.31 3.57 -1.33 -1.40 0.00 -1.26 -4.16 121.76 118.50 2k3v s ALA 20 Ca -0.09 -0.62 -0.13 0.00 0.00 0.00 0.00 51.96 51.12 2k3v s ALA 20 Cb -0.11 -2.76 0.12 0.00 0.00 0.00 0.00 23.12 20.37 2k3v s ALA 20 CO -0.08 -0.57 0.51 -0.25 0.00 0.00 0.00 175.76 175.36 2k3v n ASP 21 N 5.12 -2.84 -3.50 0.00 9.92 -1.26 -0.13 116.55 123.86 2k3v n ASP 21 Ca -0.06 -0.58 -0.21 0.00 -0.53 0.00 0.00 54.79 53.40 2k3v n ASP 21 Cb 0.50 -2.39 0.06 0.00 -0.64 0.00 0.00 41.12 38.66 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 -1.09 -0.75 2.43 0.44 0.00 -1.26 -4.98 105.19 99.97 2k3v n GLY 22 Ca 0.04 0.35 -0.27 0.00 0.00 0.00 0.00 46.02 46.14 2k3v n GLY 22 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2k3v s GLU 23 N -5.34 0.96 -0.33 1.61 2.12 0.82 -5.10 118.70 113.44 2k3v s GLU 23 Ca 0.26 -2.12 -0.41 0.00 0.36 0.00 0.00 54.97 53.06 2k3v s GLU 23 Cb -0.06 -1.52 -0.16 0.00 0.26 0.00 0.00 34.13 32.66 2k3v s GLU 23 CO 0.79 -1.37 1.81 -2.30 -0.54 0.00 0.00 175.26 173.65 2k3v n PRO 24 N 2.89 0.95 -1.62 4.30 -0.02 -1.26 -4.31 135.00 135.92 2k3v n PRO 24 Ca 0.28 0.34 -0.38 0.00 -2.02 0.00 0.00 63.50 61.72 2k3v n PRO 24 Cb 0.46 -2.05 0.05 0.00 -0.02 0.00 0.00 33.50 31.95 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 5.95 0.84 -2.58 2.55 3.41 -1.26 -4.91 113.62 117.62 2k3v n SER 25 Ca 0.31 0.82 -0.33 0.00 -0.26 0.00 0.00 58.87 59.40 2k3v n SER 25 Cb 0.11 -1.39 0.03 0.00 -0.26 0.00 0.00 64.21 62.70 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 -0.97 3.05 0.11 4.33 2.85 -1.26 -4.57 118.16 121.70 2k3v n LYS 26 Ca 0.13 -3.86 0.00 0.00 -1.05 0.00 0.00 58.31 53.53 2k3v n LYS 26 Cb 0.47 -2.27 0.00 0.00 -0.65 0.00 0.00 35.03 32.58 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 -0.61 -0.84 0.00 -5.58 5.68 -1.26 -5.06 116.55 108.88 2k3v n ASP 27 Ca 0.50 0.41 0.00 0.00 -0.50 0.00 0.00 54.79 55.19 2k3v n ASP 27 Cb 0.52 0.94 0.00 0.00 -1.14 0.00 0.00 41.12 41.45 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 0.72 1.14 0.11 6.12 0.00 -1.26 -4.95 105.19 107.07 2k3v n GLY 28 Ca 0.00 -0.18 -0.13 0.00 0.00 0.00 0.00 46.02 45.71 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 -0.15 -0.85 4.61 0.00 -1.97 -0.87 119.26 120.03 2k3v h ALA 29 Ca 0.00 -0.22 0.22 0.00 0.00 0.00 0.00 54.91 54.91 2k3v h ALA 29 Cb 0.00 0.06 -0.15 0.00 0.00 0.00 0.00 17.79 17.70 2k3v h ALA 29 CO 0.00 -0.35 0.12 -0.92 0.00 0.00 0.00 179.25 178.10 2k3v h TYR 30 N -0.62 0.14 0.05 0.00 3.20 -1.98 0.55 116.97 118.31 2k3v h TYR 30 Ca -0.02 0.06 -0.00 0.00 3.14 0.00 0.00 58.73 61.91 2k3v h TYR 30 Cb 0.49 0.08 0.00 0.00 1.54 0.00 0.00 36.73 38.84 2k3v h TYR 30 CO 0.07 -0.26 -0.02 0.93 -1.64 0.00 0.00 178.16 177.24 2k3v h GLU 31 N 0.14 -0.07 -0.70 1.82 5.08 -1.89 -2.96 114.58 115.99 2k3v h GLU 31 Ca 0.51 0.00 0.20 0.00 -1.00 0.00 0.00 59.36 59.08 2k3v h GLU 31 Cb 1.00 0.02 -0.03 0.00 0.50 0.00 0.00 28.75 30.23 2k3v h GLU 31 CO -0.71 0.41 0.88 0.35 -1.00 0.00 0.00 179.01 178.95 2k3v h PHE 32 N -0.57 0.00 -0.23 4.33 3.57 0.53 1.03 116.94 125.60 2k3v h PHE 32 Ca -0.01 0.00 -0.10 0.00 3.53 0.00 0.00 57.97 61.39 2k3v h PHE 32 Cb 0.51 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 39.24 2k3v h PHE 32 CO 0.09 0.00 -0.25 0.93 -2.23 0.00 0.00 178.31 176.85 2k3v h GLU 33 N 0.00 0.57 -1.00 1.11 5.08 -0.95 -2.96 114.58 116.43 2k3v h GLU 33 Ca 0.33 -0.31 0.26 0.00 -1.00 0.00 0.00 59.36 58.64 2k3v h GLU 33 Cb 2.10 0.01 -0.07 0.00 0.50 0.00 0.00 28.75 31.29 2k3v h GLU 33 CO -0.00 0.91 0.67 1.96 -1.00 0.00 0.00 179.01 181.54 2k3v h GLN 34 N 0.27 0.29 -1.83 2.33 1.08 0.11 0.27 115.11 117.63 2k3v h GLN 34 Ca 0.03 -0.02 -0.39 0.00 -1.45 0.00 0.00 58.65 56.82 2k3v h GLN 34 Cb 0.81 -0.07 -0.15 0.00 -0.05 0.00 0.00 27.48 28.03 2k3v h GLN 34 CO 0.06 0.19 0.31 0.00 -0.95 0.00 0.00 178.83 178.44 2k3v n GLN 36 N 0.88 1.06 0.00 0.00 7.27 0.96 -4.30 117.38 123.25 2k3v n GLN 36 Ca 0.40 -2.93 0.00 0.00 0.07 0.00 0.00 57.00 54.54 2k3v n GLN 36 Cb 0.60 -1.26 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 -1.13 0.07 0.00 0.00 177.06 176.00 2k3v n SER 37 N 0.08 0.00 0.10 1.69 3.41 -1.26 -4.74 113.62 112.89 2k3v n SER 37 Ca 0.14 0.00 0.09 0.00 -0.26 0.00 0.00 58.87 58.84 2k3v n SER 37 Cb 0.74 0.20 0.41 0.00 -0.26 0.00 0.00 64.21 65.30 2k3v n SER 37 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2k3v n HIS 39 N -2.00 0.00 0.00 0.00 -0.00 -1.26 -5.17 115.22 106.79 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 4.57 0.18 3.68 -1.41 0.00 -1.26 -5.02 105.19 105.92 2k3v n GLY 40 Ca 0.00 -1.22 -0.27 0.00 0.00 0.00 0.00 46.02 44.53 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 4.86 0.54 1.61 0.15 -1.26 -4.33 113.70 111.26 2k3v s SER 41 Ca 0.00 -0.34 0.23 0.00 0.70 0.00 0.00 55.95 56.54 2k3v s SER 41 Cb 0.00 -1.07 1.48 0.00 -1.71 0.00 0.00 66.02 64.71 2k3v s SER 41 CO 0.00 0.10 2.16 -0.07 1.20 0.00 0.00 173.24 176.63 2k3v h LEU 42 N 2.81 0.00 0.00 3.45 3.38 -1.95 0.37 115.31 123.37 2k3v h LEU 42 Ca -0.47 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.50 2k3v h LEU 42 Cb 1.20 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.95 2k3v h LEU 42 CO 0.58 0.05 0.00 0.00 0.09 0.00 0.00 178.44 179.16 2k3v n ALA 43 N -2.41 1.99 -1.52 1.53 0.00 -1.26 -1.87 120.51 116.97 2k3v n ALA 43 Ca -0.03 -0.09 0.07 0.00 0.00 0.00 0.00 53.44 53.39 2k3v n ALA 43 Cb 0.13 -1.29 0.17 0.00 0.00 0.00 0.00 19.45 18.46 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 -1.25 1.33 -2.58 0.00 0.00 0.13 -4.97 120.64 113.29 2k3v n GLU 44 Ca 0.09 -2.92 -0.07 0.00 0.00 0.00 0.00 57.16 54.26 2k3v n GLU 44 Cb 0.13 -1.43 -0.01 0.00 0.00 0.00 0.00 31.44 30.13 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 -1.06 1.64 -0.54 5.31 2.81 -0.78 -4.83 117.12 119.67 2k3v n MET 45 Ca 0.17 -0.81 -0.18 0.00 -1.81 0.00 0.00 57.70 55.07 2k3v n MET 45 Cb 0.71 0.24 0.15 0.00 -0.71 0.00 0.00 33.22 33.60 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 -1.16 -2.99 -0.14 7.83 3.85 -1.26 -4.55 116.55 118.13 2k3v n ASP 46 Ca -0.04 -0.37 0.06 0.00 -0.71 0.00 0.00 54.79 53.73 2k3v n ASP 46 Cb 0.14 -0.77 0.32 0.00 -1.35 0.00 0.00 41.12 39.47 2k3v n ASP 46 CO 0.00 0.00 0.00 -0.90 -1.01 0.00 0.00 177.20 175.29 2k3v n ASP 47 N -1.19 0.43 -0.10 -1.12 5.75 -1.26 -2.31 116.55 116.74 2k3v n ASP 47 Ca 0.06 -1.69 -0.11 0.00 -0.01 0.00 0.00 54.79 53.03 2k3v n ASP 47 Cb 0.36 -0.04 -0.14 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 -0.41 0.89 0.05 -1.12 3.02 -1.26 -4.22 115.26 112.20 2k3v n ASN 48 Ca 0.10 -0.03 -0.14 0.00 -0.03 0.00 0.00 54.58 54.47 2k3v n ASN 48 Cb 0.11 0.62 -0.14 0.00 -0.61 0.00 0.00 39.78 39.76 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 0.34 0.05 3.10 3.86 -1.82 -3.36 115.15 117.31 2k3v h HIS 49 Ca -0.51 -0.24 -0.00 0.00 -1.16 0.00 0.00 60.37 58.46 2k3v h HIS 49 Cb 2.05 -0.01 -0.01 0.00 1.06 0.00 0.00 27.41 30.51 2k3v h HIS 49 CO 0.01 1.28 -0.08 0.87 0.86 0.00 0.00 177.93 180.87 2k3v h LYS 50 N 0.05 -0.14 -0.58 2.45 1.57 -1.24 0.51 116.57 119.19 2k3v h LYS 50 Ca -0.21 0.01 0.15 0.00 -1.87 0.00 0.00 60.65 58.73 2k3v h LYS 50 Cb 1.98 0.03 -0.11 0.00 0.08 0.00 0.00 32.23 34.21 2k3v h LYS 50 CO 0.15 -0.09 -0.03 -2.30 -0.57 0.00 0.00 179.45 176.61 2k3v n PRO 51 N -2.87 -0.05 -0.03 3.15 -0.02 -1.26 0.28 135.00 134.21 2k3v n PRO 51 Ca -0.02 0.88 -0.15 0.00 -2.02 0.00 0.00 63.50 62.19 2k3v n PRO 51 Cb 0.07 -1.38 -0.10 0.00 -0.02 0.00 0.00 33.50 32.07 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 0.43 0.00 6.00 3.86 -1.57 -3.46 115.15 120.41 2k3v h HIS 52 Ca 0.34 -0.20 -0.11 0.00 -1.16 0.00 0.00 60.37 59.23 2k3v h HIS 52 Cb 0.66 -0.06 -0.01 0.00 1.06 0.00 0.00 27.41 29.05 2k3v h HIS 52 CO -0.33 0.95 0.22 -3.47 0.86 0.00 0.00 177.93 176.16 2k3v n ASP 53 N -4.42 0.10 -0.53 2.45 2.03 0.81 -1.21 116.55 115.78 2k3v n ASP 53 Ca -0.09 0.09 0.00 0.00 0.52 0.00 0.00 54.79 55.31 2k3v n ASP 53 Cb 0.51 -0.14 0.00 0.00 -0.72 0.00 0.00 41.12 40.77 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 1.15 0.49 2.06 0.27 0.00 -1.26 -4.94 105.19 102.95 2k3v n GLY 54 Ca 0.09 -0.26 0.00 0.00 0.00 0.00 0.00 46.02 45.85 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 -1.04 -4.29 0.99 4.77 -0.35 -5.14 117.00 111.40 2k3v n LEU 55 Ca 0.00 0.28 -0.21 0.00 -0.03 0.00 0.00 56.01 56.05 2k3v n LEU 55 Cb 0.26 1.21 -0.11 0.00 -2.33 0.00 0.00 43.42 42.45 2k3v n LEU 55 CO 0.00 -0.34 -0.47 -1.48 -1.33 0.00 0.00 177.39 173.77 2k3v s LEU 56 N -5.68 2.40 0.87 2.23 2.34 -1.26 -5.15 118.68 114.44 2k3v s LEU 56 Ca 0.00 -0.81 -0.12 0.00 0.06 0.00 0.00 54.13 53.25 2k3v s LEU 56 Cb 0.00 -0.73 0.12 0.00 -0.56 0.00 0.00 46.19 45.02 2k3v s LEU 56 CO 0.00 -0.06 1.16 -0.04 -1.06 0.00 0.00 176.35 176.35 2k3v s MET 57 N -2.61 1.43 0.00 1.48 -1.94 -1.26 -4.87 119.30 111.54 2k3v s MET 57 Ca 0.12 0.21 0.00 0.00 -1.71 0.00 0.00 55.69 54.30 2k3v s MET 57 Cb -0.06 -1.88 0.00 0.00 2.01 0.00 0.00 34.83 34.90 2k3v s MET 57 CO 0.05 -1.98 0.91 0.00 -0.01 0.00 0.00 175.02 173.98 2k3v n ALA 59 N -1.96 -0.09 -0.52 0.00 0.00 -1.26 0.28 120.51 116.96 2k3v n ALA 59 Ca 0.00 0.94 0.41 0.00 0.00 0.00 0.00 53.44 54.79 2k3v n ALA 59 Cb 0.00 -0.43 0.65 0.00 0.00 0.00 0.00 19.45 19.66 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 -5.39 0.06 -0.09 0.00 9.92 -1.18 0.59 116.55 120.47 2k3v n ASP 60 Ca 0.10 0.95 -0.19 0.00 -0.53 0.00 0.00 54.79 55.13 2k3v n ASP 60 Cb 0.38 -0.47 -0.06 0.00 -0.64 0.00 0.00 41.12 40.33 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 -3.92 1.86 -1.39 0.00 8.25 0.46 -4.81 115.22 115.66 2k3v n HIS 62 Ca -0.34 -2.36 -0.33 0.00 -0.26 0.00 0.00 57.72 54.43 2k3v n HIS 62 Cb 0.71 -1.72 -0.16 0.00 1.12 0.00 0.00 29.99 29.94 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 1.76 0.51 0.28 -1.41 0.00 0.20 -4.37 120.51 117.48 2k3v n ALA 63 Ca 0.57 -0.41 -0.15 0.00 0.00 0.00 0.00 53.44 53.45 2k3v n ALA 63 Cb 0.45 -2.13 -0.08 0.00 0.00 0.00 0.00 19.45 17.68 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 10.81 -0.70 -2.77 0.00 0.11 -1.89 1.30 132.00 138.87 2k3v h PRO 64 Ca -0.02 0.05 -0.64 0.00 0.11 0.00 0.00 66.00 65.50 2k3v h PRO 64 Cb 1.16 0.16 -0.03 0.00 0.11 0.00 0.00 31.00 32.40 2k3v h PRO 64 CO 1.35 -0.40 2.95 0.72 -0.21 0.00 0.00 178.00 182.42 2k3v n HIS 65 N -5.33 2.21 0.00 0.65 8.25 -1.26 -3.33 115.22 116.41 2k3v n HIS 65 Ca -0.12 -2.83 0.00 0.00 -0.26 0.00 0.00 57.72 54.51 2k3v n HIS 65 Cb 0.33 -2.20 0.00 0.00 1.12 0.00 0.00 29.99 29.24 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 2.88 0.00 -0.28 -0.41 0.00 -1.20 -5.13 120.64 116.50 2k3v n GLU 66 Ca 0.70 0.00 -0.29 0.00 0.00 0.00 0.00 57.16 57.57 2k3v n GLU 66 Cb 0.31 0.00 0.28 0.00 0.00 0.00 0.00 31.44 32.03 2k3v n GLU 66 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 2k3v n ALA 67 N 0.00 -4.52 -3.40 4.31 0.00 0.44 -4.92 120.51 112.43 2k3v n ALA 67 Ca 0.00 -1.81 -0.13 0.00 0.00 0.00 0.00 53.44 51.50 2k3v n ALA 67 Cb 0.00 -1.52 -0.13 0.00 0.00 0.00 0.00 19.45 17.79 2k3v n ALA 67 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 2k3v s LYS 68 N -4.83 0.15 -0.04 0.00 1.02 -1.26 -3.51 119.74 111.27 2k3v s LYS 68 Ca 0.64 0.31 -0.38 0.00 0.02 0.00 0.00 55.97 56.56 2k3v s LYS 68 Cb -0.12 -0.04 -0.19 0.00 -0.52 0.00 0.00 37.83 36.96 2k3v s LYS 68 CO 0.54 -0.10 1.03 0.28 -0.92 0.00 0.00 175.35 176.19 2k3v n VAL 69 N 3.63 0.00 -1.36 3.17 0.31 -1.11 -0.04 118.33 122.92 2k3v n VAL 69 Ca -0.20 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.13 2k3v n VAL 69 Cb 0.55 -0.04 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 1.58 0.46 3.10 2.92 0.00 -1.26 -4.84 105.19 107.14 2k3v n GLY 70 Ca 0.19 -0.92 -0.36 0.00 0.00 0.00 0.00 46.02 44.93 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 -2.75 2.85 -0.17 1.61 2.12 0.94 -5.04 118.70 118.26 2k3v s GLU 71 Ca 0.00 -2.84 -0.28 0.00 0.36 0.00 0.00 54.97 52.20 2k3v s GLU 71 Cb 0.00 -3.82 -0.06 0.00 0.26 0.00 0.00 34.13 30.51 2k3v s GLU 71 CO 0.00 -1.22 2.14 -1.59 -0.54 0.00 0.00 175.26 174.05 2k3v s LYS 72 N -0.60 3.36 0.83 4.30 0.00 -1.26 -4.80 119.74 121.58 2k3v s LYS 72 Ca 0.21 2.13 -0.15 0.00 0.00 0.00 0.00 55.97 58.16 2k3v s LYS 72 Cb -0.15 -4.32 -0.04 0.00 0.00 0.00 0.00 37.83 33.33 2k3v s LYS 72 CO -0.07 -1.84 0.21 -2.30 0.00 0.00 0.00 175.35 171.35 2k3v n PRO 73 N 8.47 0.03 -4.26 1.78 -0.02 -1.26 -4.97 135.00 134.77 2k3v n PRO 73 Ca 0.27 0.05 -0.34 0.00 -2.02 0.00 0.00 63.50 61.46 2k3v n PRO 73 Cb 0.44 -1.63 -0.11 0.00 -0.02 0.00 0.00 33.50 32.18 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 -2.09 4.30 0.09 3.45 -4.23 -1.26 -4.91 115.64 110.98 2k3v s THR 74 Ca 0.58 -0.22 -0.15 0.00 -1.18 0.00 0.00 61.69 60.72 2k3v s THR 74 Cb -0.29 -2.89 -0.13 0.00 1.34 0.00 0.00 72.50 70.53 2k3v s THR 74 CO 0.66 0.51 1.33 0.00 -0.54 0.00 0.00 174.62 176.58 2k3v h ASP 76 N 0.41 0.00 -0.67 0.00 2.03 -1.65 2.73 116.42 119.28 2k3v h ASP 76 Ca -0.01 0.00 0.01 0.00 -0.73 0.00 0.00 57.03 56.30 2k3v h ASP 76 Cb 1.14 0.00 -0.03 0.00 -0.83 0.00 0.00 39.33 39.61 2k3v h ASP 76 CO 0.11 0.00 0.44 0.74 -1.03 0.00 0.00 179.24 179.50 2k3v h THR 77 N 0.00 1.16 0.00 1.15 2.02 -1.90 -3.31 112.91 112.03 2k3v h THR 77 Ca 0.76 -0.31 -0.19 0.00 0.77 0.00 0.00 66.41 67.44 2k3v h THR 77 Cb 3.35 0.19 -0.03 0.00 -1.74 0.00 0.00 68.15 69.92 2k3v h THR 77 CO -0.01 0.16 -1.52 0.00 0.37 0.00 0.00 175.52 174.52 2k3v s HIS 79 N -2.33 3.26 -0.27 0.00 3.76 0.76 -4.85 115.29 115.62 2k3v s HIS 79 Ca -0.20 -1.42 0.02 0.00 -0.15 0.00 0.00 55.06 53.31 2k3v s HIS 79 Cb 0.07 -4.07 0.37 0.00 1.11 0.00 0.00 32.58 30.06 2k3v s HIS 79 CO 0.26 -1.29 1.58 -3.47 -0.85 0.00 0.00 174.74 170.96 2k3v n ASP 80 N 5.76 3.78 -1.34 1.40 2.03 -1.25 -2.56 116.55 124.38 2k3v n ASP 80 Ca 0.10 -2.95 0.08 0.00 0.52 0.00 0.00 54.79 52.55 2k3v n ASP 80 Cb 0.46 -0.73 0.31 0.00 -0.72 0.00 0.00 41.12 40.45 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 -0.38 4.46 0.00 1.67 5.68 -1.26 -4.89 116.55 121.84 2k3v n ASP 81 Ca 0.34 -2.60 0.00 0.00 -0.50 0.00 0.00 54.79 52.03 2k3v n ASP 81 Cb 1.11 -0.54 0.00 0.00 -1.14 0.00 0.00 41.12 40.55 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 0.57 1.85 2.69 6.12 0.00 -1.25 -5.01 105.19 110.16 2k3v n GLY 82 Ca 0.23 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.79 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 -4.30 1.61 3.00 -1.25 -4.93 116.66 108.78 2k3v n ARG 83 Ca 0.00 0.00 -0.19 0.00 -0.00 0.00 0.00 57.85 57.66 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 0.40 1.57 0.56 5.15 -4.23 -1.26 -4.12 115.64 113.71 2k3v s THR 84 Ca 0.71 -1.97 -0.20 0.00 -1.18 0.00 0.00 61.69 59.05 2k3v s THR 84 Cb -0.99 -1.82 -0.04 0.00 1.34 0.00 0.00 72.50 70.99 2k3v s THR 84 CO 0.47 -0.49 1.23 0.00 -0.54 0.00 0.00 174.62 175.29 2k3v s ALA 85 N -2.52 2.67 0.00 3.99 0.00 -1.26 -5.03 121.76 119.60 2k3v s ALA 85 Ca 0.16 1.06 0.00 0.00 0.00 0.00 0.00 51.96 53.18 2k3v s ALA 85 Cb -0.03 -3.46 0.00 0.00 0.00 0.00 0.00 23.12 19.63 2k3v s ALA 85 CO 0.05 -1.12 0.00 0.36 0.00 0.00 0.00 175.76 175.05