#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 3.46 -0.30 0.00 1.11 -1.26 -4.96 116.67 114.72 2k3v s ASP 2 Ca 0.00 -2.51 -0.15 0.00 0.18 0.00 0.00 52.55 50.07 2k3v s ASP 2 Cb 0.00 -0.87 0.15 0.00 1.07 0.00 0.00 42.92 43.28 2k3v s ASP 2 CO 0.00 -0.28 0.94 -1.83 1.18 0.00 0.00 175.17 175.18 2k3v s GLU 3 N 0.54 0.37 1.00 8.23 1.03 -1.26 -5.11 118.70 123.50 2k3v s GLU 3 Ca 0.18 0.81 -0.13 0.00 0.03 0.00 0.00 54.97 55.86 2k3v s GLU 3 Cb -0.24 0.36 0.13 0.00 -0.80 0.00 0.00 34.13 33.58 2k3v s GLU 3 CO 0.00 -0.11 0.72 0.25 -1.33 0.00 0.00 175.26 174.79 2k3v n THR 4 N 4.60 0.00 -0.13 1.83 -2.24 -1.26 -2.01 114.28 115.07 2k3v n THR 4 Ca -0.13 -0.18 -0.11 0.00 -2.27 0.00 0.00 64.05 61.36 2k3v n THR 4 Cb 0.54 -0.81 -0.02 0.00 -2.10 0.00 0.00 70.33 67.93 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 -1.95 0.70 -1.24 3.22 5.85 -1.49 -1.61 115.31 118.79 2k3v h LEU 5 Ca -0.48 -0.35 0.12 0.00 0.84 0.00 0.00 57.88 58.01 2k3v h LEU 5 Cb 1.30 -0.19 -0.07 0.00 0.37 0.00 0.00 40.66 42.07 2k3v h LEU 5 CO 0.40 0.89 0.57 0.00 -0.34 0.00 0.00 178.44 179.96 2k3v h ALA 6 N 0.83 1.72 0.57 1.25 0.00 -1.86 -1.40 119.26 120.37 2k3v h ALA 6 Ca 0.09 0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.98 2k3v h ALA 6 Cb 0.57 -0.17 0.01 0.00 0.00 0.00 0.00 17.79 18.20 2k3v h ALA 6 CO 0.03 0.07 -0.27 1.49 0.00 0.00 0.00 179.25 180.57 2k3v h GLU 7 N 0.79 -0.73 -1.26 0.00 4.57 -1.78 -0.94 114.58 115.24 2k3v h GLU 7 Ca 0.43 0.05 0.39 0.00 -1.18 0.00 0.00 59.36 59.05 2k3v h GLU 7 Cb 0.55 0.17 -0.12 0.00 -0.16 0.00 0.00 28.75 29.19 2k3v h GLU 7 CO -0.19 -0.45 0.82 0.35 -1.18 0.00 0.00 179.01 178.35 2k3v h PHE 8 N -1.14 0.53 0.02 0.92 3.57 -0.82 1.44 116.94 121.46 2k3v h PHE 8 Ca -0.08 0.02 -0.26 0.00 3.53 0.00 0.00 57.97 61.19 2k3v h PHE 8 Cb 0.62 -0.14 0.01 0.00 2.79 0.00 0.00 35.95 39.24 2k3v h PHE 8 CO 0.01 -0.13 -1.03 0.45 -2.23 0.00 0.00 178.31 175.37 2k3v h HIS 9 N 0.15 0.88 0.20 0.41 3.86 -1.18 -3.21 115.15 116.26 2k3v h HIS 9 Ca 0.76 -0.49 0.01 0.00 -1.16 0.00 0.00 60.37 59.49 2k3v h HIS 9 Cb 2.33 -0.10 -0.03 0.00 1.06 0.00 0.00 27.41 30.68 2k3v h HIS 9 CO -0.00 1.32 -0.26 0.28 0.86 0.00 0.00 177.93 180.13 2k3v h VAL 10 N 0.32 0.44 0.00 2.45 2.07 0.33 0.14 116.25 122.00 2k3v h VAL 10 Ca -0.12 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.40 2k3v h VAL 10 Cb 1.68 0.44 0.00 0.00 -1.52 0.00 0.00 31.29 31.89 2k3v h VAL 10 CO 0.19 0.00 0.33 -0.08 0.02 0.00 0.00 177.57 178.04 2k3v h GLU 11 N -0.52 0.00 -0.50 1.57 4.57 -1.12 1.45 114.58 120.04 2k3v h GLU 11 Ca 0.01 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.19 2k3v h GLU 11 Cb 0.50 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.09 2k3v h GLU 11 CO -0.10 0.00 0.00 -1.33 -1.18 0.00 0.00 179.01 176.40 2k3v n MET 12 N -2.81 3.99 0.00 1.92 2.81 0.43 -4.89 117.12 118.56 2k3v n MET 12 Ca -0.02 -2.96 0.00 0.00 -1.81 0.00 0.00 57.70 52.91 2k3v n MET 12 Cb 0.38 -2.01 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 0.43 -2.15 0.00 3.03 0.00 0.46 -5.03 105.19 101.92 2k3v n GLY 13 Ca 0.25 0.70 0.00 0.00 0.00 0.00 0.00 46.02 46.97 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 0.79 -4.92 105.19 100.20 2k3v n GLY 14 Ca 0.00 -1.17 0.14 0.00 0.00 0.00 0.00 46.02 44.99 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 -2.85 1.42 0.17 0.00 1.02 -1.26 -3.00 120.64 116.15 2k3v n GLU 16 Ca 0.03 -0.53 0.03 0.00 -0.02 0.00 0.00 57.16 56.67 2k3v n GLU 16 Cb 0.41 -1.23 0.30 0.00 -0.02 0.00 0.00 31.44 30.90 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 0.82 0.00 0.00 1.62 -1.24 -1.84 -3.30 115.58 111.64 2k3v h ASN 17 Ca 0.00 0.00 -0.04 0.00 0.71 0.00 0.00 56.30 56.97 2k3v h ASN 17 Cb 0.32 0.00 -0.08 0.00 0.73 0.00 0.00 38.32 39.29 2k3v h ASN 17 CO 0.02 0.44 -0.51 0.00 -1.29 0.00 0.00 177.43 176.10 2k3v s HIS 19 N 0.00 -0.02 -0.24 0.00 3.76 -1.16 -4.84 115.29 112.79 2k3v s HIS 19 Ca 0.07 0.16 -0.16 0.00 -0.15 0.00 0.00 55.06 54.97 2k3v s HIS 19 Cb 0.08 -0.12 -0.04 0.00 1.11 0.00 0.00 32.58 33.61 2k3v s HIS 19 CO -0.03 -0.07 0.42 0.00 -0.85 0.00 0.00 174.74 174.21 2k3v s ALA 20 N 0.69 3.57 -1.00 -1.40 0.00 -1.26 -4.16 121.76 118.20 2k3v s ALA 20 Ca -0.06 -0.63 -0.11 0.00 0.00 0.00 0.00 51.96 51.17 2k3v s ALA 20 Cb -0.08 -2.73 0.10 0.00 0.00 0.00 0.00 23.12 20.42 2k3v s ALA 20 CO -0.02 -0.52 0.33 -3.47 0.00 0.00 0.00 175.76 172.07 2k3v n ASP 21 N 5.01 -1.97 -3.33 0.00 2.03 -1.26 0.45 116.55 117.48 2k3v n ASP 21 Ca -0.07 -0.34 -0.16 0.00 0.52 0.00 0.00 54.79 54.74 2k3v n ASP 21 Cb 0.51 -1.73 0.08 0.00 -0.72 0.00 0.00 41.12 39.25 2k3v n ASP 21 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2k3v n GLY 22 N -0.86 -0.87 2.38 0.27 0.00 -1.26 -4.99 105.19 99.87 2k3v n GLY 22 Ca 0.04 0.41 -0.24 0.00 0.00 0.00 0.00 46.02 46.22 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 -3.59 0.33 -1.65 1.61 2.13 0.17 -5.11 120.64 114.53 2k3v n GLU 23 Ca -0.15 -3.07 -0.61 0.00 0.66 0.00 0.00 57.16 53.99 2k3v n GLU 23 Cb 0.64 -1.55 -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 2.52 0.47 -1.20 5.31 -0.02 -1.26 -4.33 135.00 136.49 2k3v n PRO 24 Ca 0.27 0.17 -0.36 0.00 -2.02 0.00 0.00 63.50 61.56 2k3v n PRO 24 Cb 0.50 -1.74 0.07 0.00 -0.02 0.00 0.00 33.50 32.31 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 3.49 -1.83 -1.81 2.55 3.41 -1.26 -4.88 113.62 113.28 2k3v n SER 25 Ca 0.25 0.54 -0.16 0.00 -0.26 0.00 0.00 58.87 59.24 2k3v n SER 25 Cb 0.06 -1.15 0.19 0.00 -0.26 0.00 0.00 64.21 63.05 2k3v n SER 25 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 2k3v n LYS 26 N -0.41 2.08 0.11 4.33 5.02 -1.26 -4.56 118.16 123.47 2k3v n LYS 26 Ca 0.09 -3.09 0.00 0.00 -2.02 0.00 0.00 58.31 53.29 2k3v n LYS 26 Cb 0.50 -2.04 0.00 0.00 -0.02 0.00 0.00 35.03 33.48 2k3v n LYS 26 CO 0.00 0.00 0.00 -0.40 -0.52 0.00 0.00 177.40 176.48 2k3v n ASP 27 N -1.14 -0.49 0.00 4.39 5.75 -1.26 -5.07 116.55 118.72 2k3v n ASP 27 Ca 0.49 0.40 0.00 0.00 -0.01 0.00 0.00 54.79 55.67 2k3v n ASP 27 Cb 1.42 0.63 0.00 0.00 -1.03 0.00 0.00 41.12 42.14 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 1.15 3.80 0.19 6.12 0.00 -1.26 -4.95 105.19 110.23 2k3v n GLY 28 Ca 0.00 -0.97 -0.03 0.00 0.00 0.00 0.00 46.02 45.02 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 0.42 -0.81 4.61 0.00 -1.97 0.67 119.26 122.17 2k3v h ALA 29 Ca 0.00 0.14 0.19 0.00 0.00 0.00 0.00 54.91 55.24 2k3v h ALA 29 Cb 0.00 0.24 -0.13 0.00 0.00 0.00 0.00 17.79 17.91 2k3v h ALA 29 CO 0.00 -0.39 0.20 -0.92 0.00 0.00 0.00 179.25 178.14 2k3v h TYR 30 N 0.10 0.30 -0.01 0.00 3.20 -1.99 0.03 116.97 118.60 2k3v h TYR 30 Ca 0.23 0.05 -0.00 0.00 3.14 0.00 0.00 58.73 62.14 2k3v h TYR 30 Cb 0.34 -0.01 -0.00 0.00 1.54 0.00 0.00 36.73 38.61 2k3v h TYR 30 CO -0.31 -0.14 -0.01 0.93 -1.64 0.00 0.00 178.16 176.99 2k3v h GLU 31 N 0.24 0.03 -0.82 1.82 4.39 -1.37 -2.86 114.58 116.01 2k3v h GLU 31 Ca 0.48 -0.01 0.24 0.00 0.34 0.00 0.00 59.36 60.41 2k3v h GLU 31 Cb 0.89 -0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 29.51 2k3v h GLU 31 CO -0.58 0.45 0.88 0.35 -1.16 0.00 0.00 179.01 178.95 2k3v h PHE 32 N -0.40 0.00 -0.26 4.33 3.57 0.91 1.05 116.94 126.13 2k3v h PHE 32 Ca 0.00 0.00 -0.14 0.00 3.53 0.00 0.00 57.97 61.36 2k3v h PHE 32 Cb 0.45 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 39.19 2k3v h PHE 32 CO 0.08 0.00 -0.38 0.93 -2.23 0.00 0.00 178.31 176.70 2k3v h GLU 33 N 0.00 0.71 -0.85 1.11 5.08 -1.01 -2.98 114.58 116.65 2k3v h GLU 33 Ca 0.39 -0.42 0.19 0.00 -1.00 0.00 0.00 59.36 58.52 2k3v h GLU 33 Cb 2.14 0.04 -0.06 0.00 0.50 0.00 0.00 28.75 31.37 2k3v h GLU 33 CO -0.00 1.04 0.57 1.96 -1.00 0.00 0.00 179.01 181.58 2k3v h GLN 34 N 0.44 0.36 -1.98 2.33 1.08 0.11 -0.37 115.11 117.08 2k3v h GLN 34 Ca 0.03 -0.02 -0.36 0.00 -1.45 0.00 0.00 58.65 56.84 2k3v h GLN 34 Cb 0.97 -0.08 -0.13 0.00 -0.05 0.00 0.00 27.48 28.19 2k3v h GLN 34 CO 0.09 0.24 0.08 0.00 -0.95 0.00 0.00 178.83 178.28 2k3v n GLN 36 N 1.50 0.91 0.00 0.00 7.27 -0.15 -4.48 117.38 122.44 2k3v n GLN 36 Ca 0.45 -2.53 0.00 0.00 0.07 0.00 0.00 57.00 54.98 2k3v n GLN 36 Cb 0.70 -1.35 0.00 0.00 2.41 0.00 0.00 30.24 32.00 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 0.76 0.00 0.01 1.69 3.41 -1.26 -4.79 113.62 113.43 2k3v n SER 37 Ca 0.15 0.00 0.06 0.00 -0.26 0.00 0.00 58.87 58.82 2k3v n SER 37 Cb 0.65 0.27 0.28 0.00 -0.26 0.00 0.00 64.21 65.15 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 -1.56 0.00 0.00 0.00 -0.00 -1.26 -5.17 115.22 107.23 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 0.15 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 30.14 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 4.55 -0.17 3.44 -1.41 0.00 -1.26 -5.04 105.19 105.29 2k3v n GLY 40 Ca 0.00 -0.89 -0.30 0.00 0.00 0.00 0.00 46.02 44.83 2k3v n GLY 40 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2k3v s SER 41 N -4.00 3.65 0.42 1.61 0.01 -1.26 -4.30 113.70 109.83 2k3v s SER 41 Ca 0.00 -0.56 0.13 0.00 1.31 0.00 0.00 55.95 56.84 2k3v s SER 41 Cb 0.00 -0.47 1.00 0.00 0.21 0.00 0.00 66.02 66.76 2k3v s SER 41 CO 0.00 0.21 1.95 -0.07 0.41 0.00 0.00 173.24 175.74 2k3v h LEU 42 N 4.17 0.42 0.00 2.44 3.38 -1.94 1.14 115.31 124.92 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 1.16 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.84 2k3v h LEU 42 CO 0.45 0.24 0.00 0.00 0.09 0.00 0.00 178.44 179.22 2k3v n ALA 43 N -2.51 1.72 -1.20 1.53 0.00 -1.26 -1.35 120.51 117.43 2k3v n ALA 43 Ca 0.12 -0.06 0.08 0.00 0.00 0.00 0.00 53.44 53.58 2k3v n ALA 43 Cb 0.42 -1.22 0.18 0.00 0.00 0.00 0.00 19.45 18.83 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 -1.37 1.68 -2.45 0.00 2.13 0.39 -4.97 120.64 116.06 2k3v n GLU 44 Ca 0.05 -2.83 -0.07 0.00 0.66 0.00 0.00 57.16 54.97 2k3v n GLU 44 Cb 0.13 -1.62 -0.01 0.00 0.27 0.00 0.00 31.44 30.21 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 -1.18 1.58 -0.54 5.31 2.81 -0.46 -4.79 117.12 119.85 2k3v n MET 45 Ca 0.19 -0.86 -0.18 0.00 -1.81 0.00 0.00 57.70 55.04 2k3v n MET 45 Cb 0.73 0.19 0.14 0.00 -0.71 0.00 0.00 33.22 33.57 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 -1.35 -2.96 -0.13 7.83 5.75 -1.26 -4.57 116.55 119.85 2k3v n ASP 46 Ca -0.04 -0.36 0.06 0.00 -0.01 0.00 0.00 54.79 54.45 2k3v n ASP 46 Cb 0.15 -0.76 0.33 0.00 -1.03 0.00 0.00 41.12 39.81 2k3v n ASP 46 CO 0.00 0.00 0.00 0.47 -0.11 0.00 0.00 177.20 177.56 2k3v n ASP 47 N -1.10 0.38 -0.10 -1.12 8.00 -1.26 -2.39 116.55 118.96 2k3v n ASP 47 Ca 0.05 -1.68 -0.12 0.00 0.71 0.00 0.00 54.79 53.75 2k3v n ASP 47 Cb 0.36 -0.03 -0.13 0.00 -0.02 0.00 0.00 41.12 41.29 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 -0.45 1.14 0.04 -2.24 3.02 -1.26 -4.20 115.26 111.32 2k3v n ASN 48 Ca 0.10 -0.06 -0.08 0.00 -0.03 0.00 0.00 54.58 54.51 2k3v n ASN 48 Cb 0.10 0.38 -0.13 0.00 -0.61 0.00 0.00 39.78 39.52 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 0.03 0.08 3.10 3.86 -1.82 -3.37 115.15 117.03 2k3v h HIS 49 Ca -0.52 -0.02 -0.00 0.00 -1.16 0.00 0.00 60.37 58.67 2k3v h HIS 49 Cb 2.01 -0.00 -0.00 0.00 1.06 0.00 0.00 27.41 30.48 2k3v h HIS 49 CO 0.01 1.02 -0.07 0.87 0.86 0.00 0.00 177.93 180.63 2k3v h LYS 50 N 0.00 -0.14 -0.48 2.45 1.57 -1.39 0.47 116.57 119.05 2k3v h LYS 50 Ca -0.09 0.01 0.18 0.00 -1.87 0.00 0.00 60.65 58.88 2k3v h LYS 50 Cb 1.84 0.03 -0.09 0.00 0.08 0.00 0.00 32.23 34.09 2k3v h LYS 50 CO 0.12 -0.09 0.17 -2.30 -0.57 0.00 0.00 179.45 176.78 2k3v n PRO 51 N -2.62 -0.03 -0.07 3.15 -0.02 -1.26 0.23 135.00 134.38 2k3v n PRO 51 Ca -0.02 0.69 -0.13 0.00 -2.02 0.00 0.00 63.50 62.02 2k3v n PRO 51 Cb 0.06 -1.18 -0.11 0.00 -0.02 0.00 0.00 33.50 32.24 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 0.00 0.00 6.00 3.86 -1.62 -3.46 115.15 119.93 2k3v h HIS 52 Ca 0.37 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.58 2k3v h HIS 52 Cb 0.92 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.39 2k3v h HIS 52 CO -0.09 0.95 0.00 -3.47 0.86 0.00 0.00 177.93 176.18 2k3v n ASP 53 N -4.61 0.00 -0.37 2.45 -0.08 0.63 -1.69 116.55 112.90 2k3v n ASP 53 Ca -0.12 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.16 2k3v n ASP 53 Cb 0.46 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.92 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 0.64 2.19 0.27 0.00 -1.26 -4.90 105.19 102.13 2k3v n GLY 54 Ca 0.00 -0.34 0.00 0.00 0.00 0.00 0.00 46.02 45.68 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 -3.40 -4.24 0.99 4.77 -0.68 -5.14 117.00 108.93 2k3v n LEU 55 Ca 0.00 0.73 -0.21 0.00 -0.03 0.00 0.00 56.01 56.51 2k3v n LEU 55 Cb 0.15 3.25 -0.12 0.00 -2.33 0.00 0.00 43.42 44.37 2k3v n LEU 55 CO 0.00 0.14 -0.48 -1.48 -1.33 0.00 0.00 177.39 174.24 2k3v s LEU 56 N -6.55 2.32 0.83 2.23 2.34 -1.26 -5.15 118.68 113.44 2k3v s LEU 56 Ca 0.00 -0.70 -0.12 0.00 0.06 0.00 0.00 54.13 53.37 2k3v s LEU 56 Cb 0.00 -0.70 0.09 0.00 -0.56 0.00 0.00 46.19 45.02 2k3v s LEU 56 CO 0.00 -0.03 1.14 -0.04 -1.06 0.00 0.00 176.35 176.36 2k3v s MET 57 N -2.06 1.84 0.01 1.48 -1.94 -1.26 -4.85 119.30 112.51 2k3v s MET 57 Ca 0.05 0.30 -0.06 0.00 -1.71 0.00 0.00 55.69 54.27 2k3v s MET 57 Cb -0.09 -1.92 -0.03 0.00 2.01 0.00 0.00 34.83 34.80 2k3v s MET 57 CO 0.04 -1.72 1.08 0.00 -0.01 0.00 0.00 175.02 174.41 2k3v n ALA 59 N -2.12 -0.08 -0.51 0.00 0.00 -1.26 0.25 120.51 116.80 2k3v n ALA 59 Ca -0.02 0.99 0.40 0.00 0.00 0.00 0.00 53.44 54.80 2k3v n ALA 59 Cb 0.08 -0.46 0.63 0.00 0.00 0.00 0.00 19.45 19.69 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 -5.47 0.07 -0.08 0.00 8.00 -1.14 0.47 116.55 118.41 2k3v n ASP 60 Ca 0.11 0.94 -0.15 0.00 0.71 0.00 0.00 54.79 56.39 2k3v n ASP 60 Cb 0.41 -0.47 -0.05 0.00 -0.02 0.00 0.00 41.12 40.99 2k3v n ASP 60 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2k3v n HIS 62 N -3.94 2.08 -1.50 0.00 8.25 0.49 -4.84 115.22 115.75 2k3v n HIS 62 Ca -0.28 -2.54 -0.38 0.00 -0.26 0.00 0.00 57.72 54.26 2k3v n HIS 62 Cb 0.62 -1.83 -0.16 0.00 1.12 0.00 0.00 29.99 29.74 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 1.95 0.42 0.29 -1.41 0.00 0.18 -4.32 120.51 117.62 2k3v n ALA 63 Ca 0.61 -0.38 -0.15 0.00 0.00 0.00 0.00 53.44 53.52 2k3v n ALA 63 Cb 0.38 -2.32 -0.08 0.00 0.00 0.00 0.00 19.45 17.43 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 12.08 -0.72 -2.77 0.00 0.11 -1.86 1.44 132.00 140.28 2k3v h PRO 64 Ca -0.04 0.05 -0.61 0.00 0.11 0.00 0.00 66.00 65.51 2k3v h PRO 64 Cb 1.28 0.16 -0.01 0.00 0.11 0.00 0.00 31.00 32.54 2k3v h PRO 64 CO 1.41 -0.42 2.93 0.72 -0.21 0.00 0.00 178.00 182.43 2k3v n HIS 65 N -5.34 2.07 0.00 0.65 8.25 -1.26 -3.25 115.22 116.34 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 0.33 -2.23 0.00 0.00 1.12 0.00 0.00 29.99 29.21 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 3.06 0.00 -0.75 -0.41 2.13 -1.20 -5.12 120.64 118.34 2k3v n GLU 66 Ca 0.70 0.00 -0.30 0.00 0.66 0.00 0.00 57.16 58.23 2k3v n GLU 66 Cb 0.34 0.00 0.19 0.00 0.27 0.00 0.00 31.44 32.24 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 0.84 -0.05 4.31 0.00 0.49 -4.92 121.76 122.44 2k3v s ALA 67 Ca 0.00 0.22 0.04 0.00 0.00 0.00 0.00 51.96 52.22 2k3v s ALA 67 Cb 0.00 -3.33 0.00 0.00 0.00 0.00 0.00 23.12 19.79 2k3v s ALA 67 CO 0.00 -3.03 -0.16 0.15 0.00 0.00 0.00 175.76 172.72 2k3v s LYS 68 N -4.64 1.80 -0.02 0.00 1.02 -1.26 -2.70 119.74 113.94 2k3v s LYS 68 Ca 0.66 -0.56 -0.28 0.00 0.02 0.00 0.00 55.97 55.81 2k3v s LYS 68 Cb -0.22 -1.53 -0.14 0.00 -0.52 0.00 0.00 37.83 35.42 2k3v s LYS 68 CO 0.60 0.18 0.78 0.28 -0.92 0.00 0.00 175.35 176.27 2k3v n VAL 69 N 3.33 0.00 -1.75 3.17 0.31 -0.85 -1.74 118.33 120.79 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 -0.02 0.00 0.00 -0.91 0.00 0.00 33.84 33.43 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 1.17 0.89 3.73 2.92 0.00 -1.26 -4.81 105.19 107.83 2k3v n GLY 70 Ca 0.15 -0.58 -0.35 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 -3.59 3.18 -0.49 1.61 2.12 -0.71 -5.07 118.70 115.75 2k3v s GLU 71 Ca 0.00 -0.33 -0.01 0.00 0.36 0.00 0.00 54.97 54.99 2k3v s GLU 71 Cb 0.00 -2.93 0.13 0.00 0.26 0.00 0.00 34.13 31.59 2k3v s GLU 71 CO 0.00 0.68 0.27 0.15 -0.54 0.00 0.00 175.26 175.82 2k3v s LYS 72 N -0.81 2.12 0.19 4.30 1.02 -1.26 -5.03 119.74 120.27 2k3v s LYS 72 Ca 0.13 -2.19 -0.32 0.00 0.02 0.00 0.00 55.97 53.60 2k3v s LYS 72 Cb -0.12 -3.54 -0.15 0.00 -0.52 0.00 0.00 37.83 33.50 2k3v s LYS 72 CO 0.03 -1.09 1.13 -2.30 -0.92 0.00 0.00 175.35 172.20 2k3v n PRO 73 N 3.95 1.18 -3.19 -1.68 -0.02 -1.26 -4.92 135.00 129.05 2k3v n PRO 73 Ca 0.03 0.42 -0.39 0.00 -2.02 0.00 0.00 63.50 61.54 2k3v n PRO 73 Cb 0.39 -1.89 -0.05 0.00 -0.02 0.00 0.00 33.50 31.92 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 -0.32 5.11 0.48 3.45 -4.23 -1.26 -4.90 115.64 113.98 2k3v s THR 74 Ca 0.71 1.18 0.29 0.00 -1.18 0.00 0.00 61.69 62.69 2k3v s THR 74 Cb -0.83 -3.92 0.32 0.00 1.34 0.00 0.00 72.50 69.41 2k3v s THR 74 CO 0.53 0.30 2.15 0.00 -0.54 0.00 0.00 174.62 177.06 2k3v n ASP 76 N -3.67 0.01 -0.74 0.00 2.03 -1.22 0.23 116.55 113.20 2k3v n ASP 76 Ca -0.02 0.50 0.04 0.00 0.52 0.00 0.00 54.79 55.83 2k3v n ASP 76 Cb 0.18 -0.51 0.14 0.00 -0.72 0.00 0.00 41.12 40.22 2k3v n ASP 76 CO 0.00 0.00 0.00 0.41 -1.92 0.00 0.00 177.20 175.69 2k3v n THR 77 N -1.51 0.66 0.12 5.18 -1.04 0.59 -4.49 114.28 113.77 2k3v n THR 77 Ca 0.02 -0.46 0.00 0.00 -2.04 0.00 0.00 64.05 61.57 2k3v n THR 77 Cb 0.10 -0.02 0.00 0.00 -1.82 0.00 0.00 70.33 68.58 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 -2.00 3.67 -0.26 0.00 3.76 0.62 -4.97 115.29 116.11 2k3v s HIS 79 Ca 0.00 1.14 0.12 0.00 -0.15 0.00 0.00 55.06 56.18 2k3v s HIS 79 Cb 0.00 -2.57 0.47 0.00 1.11 0.00 0.00 32.58 31.59 2k3v s HIS 79 CO 0.00 0.36 1.17 -3.47 -0.85 0.00 0.00 174.74 171.95 2k3v n ASP 80 N 2.75 3.54 -0.50 1.40 -0.08 -1.26 -3.39 116.55 119.01 2k3v n ASP 80 Ca -0.08 -3.23 0.07 0.00 -1.51 0.00 0.00 54.79 50.04 2k3v n ASP 80 Cb 0.51 -0.39 0.18 0.00 2.34 0.00 0.00 41.12 43.76 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 -0.67 1.82 0.00 1.67 5.68 -1.26 -4.92 116.55 118.87 2k3v n ASP 81 Ca 0.30 -3.60 0.00 0.00 -0.50 0.00 0.00 54.79 50.99 2k3v n ASP 81 Cb 0.90 -0.49 0.00 0.00 -1.14 0.00 0.00 41.12 40.39 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 -1.12 2.49 2.58 6.12 0.00 -1.26 -4.98 105.19 109.02 2k3v n GLY 82 Ca 0.17 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.76 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 -4.09 1.61 3.00 -1.26 -4.94 116.66 108.98 2k3v n ARG 83 Ca 0.00 0.00 -0.09 0.00 -0.00 0.00 0.00 57.85 57.76 2k3v n ARG 83 Cb 0.00 -1.09 -0.10 0.00 0.00 0.00 0.00 32.46 31.27 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 -0.04 0.38 0.57 5.15 -4.23 -1.26 -4.43 115.64 111.79 2k3v s THR 84 Ca 0.66 -1.57 -0.19 0.00 -1.18 0.00 0.00 61.69 59.41 2k3v s THR 84 Cb -0.92 -1.20 -0.04 0.00 1.34 0.00 0.00 72.50 71.67 2k3v s THR 84 CO 0.42 -0.78 1.21 0.00 -0.54 0.00 0.00 174.62 174.93 2k3v s ALA 85 N -3.01 2.62 -2.88 3.99 0.00 -1.26 -5.01 121.76 116.20 2k3v s ALA 85 Ca 0.02 1.02 0.25 0.00 0.00 0.00 0.00 51.96 53.25 2k3v s ALA 85 Cb 0.01 -3.45 0.40 0.00 0.00 0.00 0.00 23.12 20.08 2k3v s ALA 85 CO -0.05 -1.11 1.38 1.63 0.00 0.00 0.00 175.76 177.60