#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 -5.60 -3.65 0.00 2.03 -1.26 -5.05 116.55 103.02 2k3v n ASP 2 Ca 0.00 1.22 0.03 0.00 0.52 0.00 0.00 54.79 56.56 2k3v n ASP 2 Cb 0.00 -4.41 0.00 0.00 -0.72 0.00 0.00 41.12 35.99 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 -1.12 0.13 0.70 -0.67 -1.05 -1.26 -5.10 118.70 110.33 2k3v s GLU 3 Ca -0.08 -0.08 -0.11 0.00 -0.15 0.00 0.00 54.97 54.55 2k3v s GLU 3 Cb 0.01 0.04 0.01 0.00 -0.44 0.00 0.00 34.13 33.75 2k3v s GLU 3 CO 0.60 -0.06 1.07 0.95 0.95 0.00 0.00 175.26 178.77 2k3v s THR 4 N -2.11 3.86 0.14 1.83 -4.23 -1.26 -2.43 115.64 111.44 2k3v s THR 4 Ca 0.18 0.60 -0.15 0.00 -1.18 0.00 0.00 61.69 61.15 2k3v s THR 4 Cb 0.06 -3.46 0.01 0.00 1.34 0.00 0.00 72.50 70.45 2k3v s THR 4 CO -0.05 -0.79 1.68 0.25 -0.54 0.00 0.00 174.62 175.17 2k3v h LEU 5 N -0.69 0.63 -1.99 4.79 5.85 -1.47 -1.33 115.31 121.09 2k3v h LEU 5 Ca -0.45 -0.18 0.14 0.00 0.84 0.00 0.00 57.88 58.23 2k3v h LEU 5 Cb 1.23 -0.16 -0.02 0.00 0.37 0.00 0.00 40.66 42.08 2k3v h LEU 5 CO 0.60 0.63 0.34 0.00 -0.34 0.00 0.00 178.44 179.68 2k3v h ALA 6 N 1.02 2.44 0.32 1.25 0.00 -1.86 -1.60 119.26 120.82 2k3v h ALA 6 Ca 0.15 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 55.03 2k3v h ALA 6 Cb 0.21 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.04 2k3v h ALA 6 CO -0.01 -0.57 -0.15 1.49 0.00 0.00 0.00 179.25 180.01 2k3v h GLU 7 N 0.01 -0.41 -1.25 0.00 4.57 -1.59 -2.07 114.58 113.85 2k3v h GLU 7 Ca 0.22 0.03 0.40 0.00 -1.18 0.00 0.00 59.36 58.83 2k3v h GLU 7 Cb 0.89 0.09 -0.13 0.00 -0.16 0.00 0.00 28.75 29.45 2k3v h GLU 7 CO -0.00 -0.27 0.80 0.35 -1.18 0.00 0.00 179.01 178.70 2k3v h PHE 8 N -1.06 0.57 -0.12 0.92 3.57 -0.76 1.51 116.94 121.58 2k3v h PHE 8 Ca -0.04 0.02 -0.23 0.00 3.53 0.00 0.00 57.97 61.25 2k3v h PHE 8 Cb 0.32 -0.15 0.01 0.00 2.79 0.00 0.00 35.95 38.93 2k3v h PHE 8 CO 0.00 -0.17 -0.83 0.45 -2.23 0.00 0.00 178.31 175.53 2k3v h HIS 9 N 0.14 1.04 0.20 0.41 3.86 -1.35 -3.17 115.15 116.28 2k3v h HIS 9 Ca 0.78 -0.48 0.01 0.00 -1.16 0.00 0.00 60.37 59.52 2k3v h HIS 9 Cb 2.34 -0.15 -0.03 0.00 1.06 0.00 0.00 27.41 30.63 2k3v h HIS 9 CO -0.01 1.31 -0.26 0.28 0.86 0.00 0.00 177.93 180.12 2k3v h VAL 10 N 0.50 0.44 -0.03 2.45 2.07 0.28 0.13 116.25 122.09 2k3v h VAL 10 Ca -0.07 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.46 2k3v h VAL 10 Cb 1.46 0.44 -0.00 0.00 -1.52 0.00 0.00 31.29 31.68 2k3v h VAL 10 CO 0.17 0.00 0.40 -0.08 0.02 0.00 0.00 177.57 178.08 2k3v h GLU 11 N -0.51 0.00 -0.46 1.57 4.57 -1.12 1.60 114.58 120.23 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 -2.91 4.09 0.00 1.92 2.81 0.39 -4.90 117.12 118.52 2k3v n MET 12 Ca -0.01 -3.02 0.00 0.00 -1.81 0.00 0.00 57.70 52.86 2k3v n MET 12 Cb 0.45 -2.08 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 0.22 -2.15 0.00 3.03 0.00 0.52 -5.03 105.19 101.79 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 -1.07 0.12 -0.02 0.00 0.40 -4.92 105.19 99.69 2k3v n GLY 14 Ca 0.00 -1.11 0.13 0.00 0.00 0.00 0.00 46.02 45.04 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 -2.26 1.60 0.19 0.00 4.71 -1.26 -3.10 120.64 120.52 2k3v n GLU 16 Ca 0.04 -0.71 0.07 0.00 -0.01 0.00 0.00 57.16 56.55 2k3v n GLU 16 Cb 0.35 -1.31 0.32 0.00 -1.01 0.00 0.00 31.44 29.80 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 1.07 0.00 0.00 1.62 -1.24 -1.85 -3.31 115.58 111.87 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 0.43 0.00 -0.17 0.00 0.73 0.00 0.00 38.32 39.31 2k3v h ASN 17 CO 0.04 0.33 -0.57 0.00 -1.29 0.00 0.00 177.43 175.94 2k3v s HIS 19 N 0.00 -0.28 -0.26 0.00 3.76 -1.18 -4.81 115.29 112.52 2k3v s HIS 19 Ca 0.12 0.68 -0.17 0.00 -0.15 0.00 0.00 55.06 55.55 2k3v s HIS 19 Cb 0.14 0.02 -0.03 0.00 1.11 0.00 0.00 32.58 33.82 2k3v s HIS 19 CO -0.06 -0.20 0.46 0.00 -0.85 0.00 0.00 174.74 174.08 2k3v s ALA 20 N 1.11 3.58 -1.85 -1.40 0.00 -1.26 -4.16 121.76 117.78 2k3v s ALA 20 Ca -0.08 -0.68 -0.22 0.00 0.00 0.00 0.00 51.96 50.98 2k3v s ALA 20 Cb -0.10 -2.81 0.22 0.00 0.00 0.00 0.00 23.12 20.43 2k3v s ALA 20 CO -0.07 -0.70 0.58 -0.25 0.00 0.00 0.00 175.76 175.32 2k3v n ASP 21 N 5.43 -1.78 -3.41 0.00 8.00 -1.26 0.67 116.55 124.20 2k3v n ASP 21 Ca -0.06 -1.23 -0.18 0.00 0.71 0.00 0.00 54.79 54.03 2k3v n ASP 21 Cb 0.50 -1.71 0.07 0.00 -0.02 0.00 0.00 41.12 39.96 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 -1.19 -0.77 2.41 0.44 0.00 -1.26 -4.99 105.19 99.83 2k3v n GLY 22 Ca 0.09 0.36 -0.27 0.00 0.00 0.00 0.00 46.02 46.19 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 -3.75 0.30 -1.68 1.61 0.00 0.21 -5.10 120.64 112.23 2k3v n GLU 23 Ca -0.17 -3.25 -0.55 0.00 0.00 0.00 0.00 57.16 53.18 2k3v n GLU 23 Cb 0.64 -1.69 -0.07 0.00 0.00 0.00 0.00 31.44 30.33 2k3v n GLU 23 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.13 174.83 2k3v n PRO 24 N 2.73 1.26 -0.85 5.31 -0.02 -1.26 -4.16 135.00 138.00 2k3v n PRO 24 Ca 0.29 0.46 -0.34 0.00 -2.02 0.00 0.00 63.50 61.89 2k3v n PRO 24 Cb 0.47 -2.15 0.10 0.00 -0.02 0.00 0.00 33.50 31.91 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 4.66 -3.23 -1.79 2.55 3.41 -1.26 -4.91 113.62 113.05 2k3v n SER 25 Ca 0.24 0.22 -0.19 0.00 -0.26 0.00 0.00 58.87 58.88 2k3v n SER 25 Cb 0.16 -1.03 0.06 0.00 -0.26 0.00 0.00 64.21 63.15 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 -0.42 3.13 0.20 4.33 2.85 -1.26 -4.73 118.16 122.26 2k3v n LYS 26 Ca 0.03 -3.91 0.00 0.00 -1.05 0.00 0.00 58.31 53.39 2k3v n LYS 26 Cb 0.56 -2.15 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 -0.82 -2.97 0.00 -5.58 5.68 -1.26 -5.06 116.55 106.55 2k3v n ASP 27 Ca 0.41 0.75 0.00 0.00 -0.50 0.00 0.00 54.79 55.45 2k3v n ASP 27 Cb 0.91 2.84 0.00 0.00 -1.14 0.00 0.00 41.12 43.72 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 -0.70 0.82 0.17 6.12 0.00 -1.26 -4.97 105.19 105.37 2k3v n GLY 28 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.89 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 -0.28 -0.71 4.61 0.00 -1.98 0.45 119.26 121.36 2k3v h ALA 29 Ca 0.00 -0.05 0.14 0.00 0.00 0.00 0.00 54.91 55.01 2k3v h ALA 29 Cb 0.00 0.16 -0.10 0.00 0.00 0.00 0.00 17.79 17.85 2k3v h ALA 29 CO 0.00 -0.67 0.20 -0.92 0.00 0.00 0.00 179.25 177.86 2k3v h TYR 30 N -0.30 0.31 -0.05 0.00 3.20 -2.00 -1.07 116.97 117.07 2k3v h TYR 30 Ca -0.01 0.04 -0.01 0.00 3.14 0.00 0.00 58.73 61.89 2k3v h TYR 30 Cb 0.26 -0.03 -0.00 0.00 1.54 0.00 0.00 36.73 38.50 2k3v h TYR 30 CO -0.10 -0.04 -0.02 1.49 -1.64 0.00 0.00 178.16 177.85 2k3v h GLU 31 N 0.31 0.11 -0.95 1.82 4.81 -1.79 -2.82 114.58 116.06 2k3v h GLU 31 Ca 0.39 -0.04 0.28 0.00 -0.13 0.00 0.00 59.36 59.85 2k3v h GLU 31 Cb 0.63 -0.00 -0.04 0.00 0.63 0.00 0.00 28.75 29.97 2k3v h GLU 31 CO -0.46 0.48 0.89 0.35 -0.73 0.00 0.00 179.01 179.54 2k3v h PHE 32 N -0.27 0.00 -0.28 0.92 3.57 0.11 0.99 116.94 121.98 2k3v h PHE 32 Ca 0.01 0.00 -0.14 0.00 3.53 0.00 0.00 57.97 61.38 2k3v h PHE 32 Cb 0.44 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 39.18 2k3v h PHE 32 CO 0.06 0.00 -0.35 0.93 -2.23 0.00 0.00 178.31 176.72 2k3v h GLU 33 N 0.00 0.74 -0.95 1.11 3.07 -1.03 -2.99 114.58 114.51 2k3v h GLU 33 Ca 0.45 -0.41 0.20 0.00 -0.50 0.00 0.00 59.36 59.10 2k3v h GLU 33 Cb 2.23 0.03 -0.08 0.00 -0.84 0.00 0.00 28.75 30.09 2k3v h GLU 33 CO -0.00 1.04 0.61 1.96 -1.40 0.00 0.00 179.01 181.22 2k3v h GLN 34 N 0.48 0.51 -1.87 2.33 1.08 0.99 0.13 115.11 118.77 2k3v h GLN 34 Ca 0.04 -0.03 -0.39 0.00 -1.45 0.00 0.00 58.65 56.82 2k3v h GLN 34 Cb 0.94 -0.12 -0.14 0.00 -0.05 0.00 0.00 27.48 28.11 2k3v h GLN 34 CO 0.08 0.34 0.26 0.00 -0.95 0.00 0.00 178.83 178.56 2k3v n GLN 36 N 1.02 0.90 0.00 0.00 7.27 0.47 -4.44 117.38 122.59 2k3v n GLN 36 Ca 0.41 -2.67 0.00 0.00 0.07 0.00 0.00 57.00 54.81 2k3v n GLN 36 Cb 0.61 -1.38 0.00 0.00 2.41 0.00 0.00 30.24 31.89 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 -4.80 113.62 113.43 2k3v n SER 37 Ca 0.16 0.00 0.07 0.00 -0.26 0.00 0.00 58.87 58.84 2k3v n SER 37 Cb 0.64 0.29 0.30 0.00 -0.26 0.00 0.00 64.21 65.18 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 -1.54 0.00 -1.66 0.00 -0.00 -1.26 -5.18 115.22 105.58 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 4.54 -0.10 3.65 -1.41 0.00 -1.26 -5.04 105.19 105.57 2k3v n GLY 40 Ca 0.00 -1.20 -0.31 0.00 0.00 0.00 0.00 46.02 44.51 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 4.89 0.46 1.61 0.15 -1.26 -4.36 113.70 111.19 2k3v s SER 41 Ca 0.00 -0.15 0.17 0.00 0.70 0.00 0.00 55.95 56.66 2k3v s SER 41 Cb 0.00 -1.16 1.13 0.00 -1.71 0.00 0.00 66.02 64.27 2k3v s SER 41 CO 0.00 0.22 1.98 -0.07 1.20 0.00 0.00 173.24 176.57 2k3v h LEU 42 N 3.89 0.27 0.00 3.45 3.38 -1.94 1.18 115.31 125.55 2k3v h LEU 42 Ca -0.48 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.50 2k3v h LEU 42 Cb 1.17 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.87 2k3v h LEU 42 CO 0.57 0.16 0.00 0.00 0.09 0.00 0.00 178.44 179.26 2k3v n ALA 43 N -2.55 1.95 -1.40 1.53 0.00 -1.26 -1.75 120.51 117.02 2k3v n ALA 43 Ca 0.10 -0.08 0.08 0.00 0.00 0.00 0.00 53.44 53.53 2k3v n ALA 43 Cb 0.44 -1.28 0.16 0.00 0.00 0.00 0.00 19.45 18.77 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 -1.27 1.31 -2.52 0.00 1.02 0.40 -4.96 120.64 114.63 2k3v n GLU 44 Ca 0.08 -2.82 -0.08 0.00 -0.02 0.00 0.00 57.16 54.33 2k3v n GLU 44 Cb 0.13 -1.45 -0.01 0.00 -0.02 0.00 0.00 31.44 30.09 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 -1.16 1.56 -0.49 3.49 2.81 -0.72 -4.77 117.12 117.85 2k3v n MET 45 Ca 0.16 -0.95 -0.20 0.00 -1.81 0.00 0.00 57.70 54.91 2k3v n MET 45 Cb 0.69 0.21 0.17 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 -3.14 -0.16 7.83 3.85 -1.26 -4.52 116.55 117.80 2k3v n ASP 46 Ca -0.04 -0.45 0.06 0.00 -0.71 0.00 0.00 54.79 53.65 2k3v n ASP 46 Cb 0.17 -0.81 0.27 0.00 -1.35 0.00 0.00 41.12 39.40 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 -1.92 0.47 -0.08 -1.12 5.68 -1.26 -2.14 116.55 116.18 2k3v n ASP 47 Ca 0.07 -1.75 -0.06 0.00 -0.50 0.00 0.00 54.79 52.55 2k3v n ASP 47 Cb 0.39 -0.04 -0.15 0.00 -1.14 0.00 0.00 41.12 40.17 2k3v n ASP 47 CO 0.00 0.00 0.00 0.59 -1.33 0.00 0.00 177.20 176.46 2k3v n ASN 48 N -0.36 0.35 -0.00 -1.12 3.02 -1.26 -4.25 115.26 111.63 2k3v n ASN 48 Ca 0.09 0.00 -0.21 0.00 -0.03 0.00 0.00 54.58 54.43 2k3v n ASN 48 Cb 0.11 1.13 -0.14 0.00 -0.61 0.00 0.00 39.78 40.27 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 -2.61 1.21 -0.02 3.10 8.25 -1.14 -4.33 115.22 119.67 2k3v n HIS 49 Ca -0.26 0.26 -0.05 0.00 -0.26 0.00 0.00 57.72 57.41 2k3v n HIS 49 Cb 1.02 -1.16 -0.03 0.00 1.12 0.00 0.00 29.99 30.93 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 0.07 -0.16 -0.53 -0.41 1.57 -1.20 0.47 116.57 116.37 2k3v h LYS 50 Ca -0.42 0.01 0.15 0.00 -1.87 0.00 0.00 60.65 58.51 2k3v h LYS 50 Cb 2.03 0.04 -0.10 0.00 0.08 0.00 0.00 32.23 34.28 2k3v h LYS 50 CO 0.08 -0.10 0.01 -2.30 -0.57 0.00 0.00 179.45 176.57 2k3v n PRO 51 N -3.52 -0.04 -0.02 3.15 -0.02 -1.26 0.27 135.00 133.56 2k3v n PRO 51 Ca -0.02 0.80 -0.16 0.00 -2.02 0.00 0.00 63.50 62.10 2k3v n PRO 51 Cb 0.12 -1.26 -0.12 0.00 -0.02 0.00 0.00 33.50 32.21 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 0.31 0.00 6.00 3.86 -1.37 -3.46 115.15 120.49 2k3v h HIS 52 Ca 0.32 -0.18 0.00 0.00 -1.16 0.00 0.00 60.37 59.35 2k3v h HIS 52 Cb 0.66 -0.03 0.00 0.00 1.06 0.00 0.00 27.41 29.10 2k3v h HIS 52 CO -0.27 1.02 0.00 -3.47 0.86 0.00 0.00 177.93 176.07 2k3v n ASP 53 N -4.43 0.00 -0.50 2.45 -0.08 0.77 -1.62 116.55 113.13 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 0.56 0.00 0.00 0.00 2.34 0.00 0.00 41.12 44.02 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 0.63 2.03 0.27 0.00 -1.26 -4.93 105.19 101.93 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 -0.50 -0.47 -4.28 0.99 4.77 -0.64 -5.14 117.00 111.73 2k3v n LEU 55 Ca 0.00 0.12 -0.22 0.00 -0.03 0.00 0.00 56.01 55.88 2k3v n LEU 55 Cb 0.21 0.74 -0.12 0.00 -2.33 0.00 0.00 43.42 41.92 2k3v n LEU 55 CO 0.00 -0.43 -0.50 -1.48 -1.33 0.00 0.00 177.39 173.66 2k3v s LEU 56 N -5.29 2.34 1.01 2.23 2.34 -1.26 -5.15 118.68 114.91 2k3v s LEU 56 Ca 0.00 -0.74 -0.15 0.00 0.06 0.00 0.00 54.13 53.30 2k3v s LEU 56 Cb 0.00 -0.81 0.20 0.00 -0.56 0.00 0.00 46.19 45.02 2k3v s LEU 56 CO 0.00 0.00 1.17 -0.04 -1.06 0.00 0.00 176.35 176.42 2k3v s MET 57 N -2.20 0.32 0.00 1.48 -1.94 -1.26 -4.89 119.30 110.81 2k3v s MET 57 Ca 0.08 0.06 0.00 0.00 -1.71 0.00 0.00 55.69 54.12 2k3v s MET 57 Cb -0.08 -1.77 0.00 0.00 2.01 0.00 0.00 34.83 34.99 2k3v s MET 57 CO 0.05 -2.71 0.80 0.00 -0.01 0.00 0.00 175.02 173.15 2k3v n ALA 59 N -2.00 0.06 -0.52 0.00 0.00 -1.26 0.27 120.51 117.06 2k3v n ALA 59 Ca 0.00 0.98 0.40 0.00 0.00 0.00 0.00 53.44 54.83 2k3v n ALA 59 Cb 0.00 -0.52 0.64 0.00 0.00 0.00 0.00 19.45 19.57 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 0.06 -0.07 0.00 10.43 -1.20 0.12 116.55 120.43 2k3v n ASP 60 Ca 0.12 0.94 -0.15 0.00 2.57 0.00 0.00 54.79 58.27 2k3v n ASP 60 Cb 0.42 -0.47 -0.05 0.00 1.84 0.00 0.00 41.12 42.87 2k3v n ASP 60 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 2k3v n HIS 62 N -3.90 2.19 -1.50 0.00 8.25 0.32 -4.84 115.22 115.75 2k3v n HIS 62 Ca -0.27 -2.68 -0.37 0.00 -0.26 0.00 0.00 57.72 54.15 2k3v n HIS 62 Cb 0.62 -1.95 -0.17 0.00 1.12 0.00 0.00 29.99 29.61 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 2.23 0.48 0.29 -1.41 0.00 0.12 -4.32 120.51 117.89 2k3v n ALA 63 Ca 0.64 -0.40 -0.15 0.00 0.00 0.00 0.00 53.44 53.53 2k3v n ALA 63 Cb 0.34 -2.29 -0.08 0.00 0.00 0.00 0.00 19.45 17.42 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 11.75 -0.73 -2.50 0.00 0.11 -1.87 1.45 132.00 140.21 2k3v h PRO 64 Ca -0.03 0.05 -0.48 0.00 0.11 0.00 0.00 66.00 65.65 2k3v h PRO 64 Cb 1.27 0.17 -0.04 0.00 0.11 0.00 0.00 31.00 32.50 2k3v h PRO 64 CO 1.44 -0.42 1.83 0.72 -0.21 0.00 0.00 178.00 181.36 2k3v n HIS 65 N -5.33 1.45 0.00 0.65 8.25 -1.26 -3.18 115.22 115.80 2k3v n HIS 65 Ca -0.11 -2.37 0.00 0.00 -0.26 0.00 0.00 57.72 54.97 2k3v n HIS 65 Cb 0.34 -2.00 0.00 0.00 1.12 0.00 0.00 29.99 29.44 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 2.77 0.00 -0.77 -0.41 2.13 -1.19 -5.12 120.64 118.04 2k3v n GLU 66 Ca 0.61 0.00 -0.29 0.00 0.66 0.00 0.00 57.16 58.15 2k3v n GLU 66 Cb 0.52 0.00 0.22 0.00 0.27 0.00 0.00 31.44 32.45 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 -1.85 0.17 -0.02 4.31 0.00 0.50 -4.91 121.76 119.96 2k3v s ALA 67 Ca 0.00 -0.14 0.03 0.00 0.00 0.00 0.00 51.96 51.85 2k3v s ALA 67 Cb 0.00 -3.22 -0.00 0.00 0.00 0.00 0.00 23.12 19.90 2k3v s ALA 67 CO 0.00 -3.40 -0.11 -1.59 0.00 0.00 0.00 175.76 170.65 2k3v s LYS 68 N -4.65 1.06 0.02 0.00 -2.85 -1.26 -2.75 119.74 109.32 2k3v s LYS 68 Ca 0.67 -0.39 -0.31 0.00 -1.00 0.00 0.00 55.97 54.94 2k3v s LYS 68 Cb -0.23 -0.99 -0.16 0.00 -2.06 0.00 0.00 37.83 34.40 2k3v s LYS 68 CO 0.62 0.19 0.81 0.28 0.10 0.00 0.00 175.35 177.34 2k3v n VAL 69 N 3.07 0.20 -1.84 1.79 0.31 -1.02 -1.88 118.33 118.96 2k3v n VAL 69 Ca -0.16 -0.05 0.00 0.00 -0.01 0.00 0.00 64.34 64.11 2k3v n VAL 69 Cb 0.55 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.48 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 1.26 0.88 3.60 2.92 0.00 -1.26 -4.92 105.19 107.66 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 -0.54 0.00 0.00 0.00 173.32 172.78 2k3v s GLU 71 N -3.76 3.08 -0.61 1.61 0.41 -0.79 -5.07 118.70 113.56 2k3v s GLU 71 Ca 0.00 -0.49 -0.01 0.00 -0.41 0.00 0.00 54.97 54.06 2k3v s GLU 71 Cb 0.00 -2.75 0.16 0.00 -1.78 0.00 0.00 34.13 29.76 2k3v s GLU 71 CO 0.00 0.57 0.41 0.15 -0.49 0.00 0.00 175.26 175.90 2k3v s LYS 72 N -0.53 2.47 0.74 1.61 1.02 -1.26 -5.02 119.74 118.77 2k3v s LYS 72 Ca 0.08 -2.58 -0.17 0.00 0.02 0.00 0.00 55.97 53.32 2k3v s LYS 72 Cb -0.12 -3.65 -0.14 0.00 -0.52 0.00 0.00 37.83 33.39 2k3v s LYS 72 CO 0.02 -1.16 -0.39 -2.30 -0.92 0.00 0.00 175.35 170.59 2k3v n PRO 73 N 3.36 0.01 -4.62 -1.68 -0.02 -1.26 -4.96 135.00 125.83 2k3v n PRO 73 Ca 0.08 0.01 -0.34 0.00 -2.02 0.00 0.00 63.50 61.23 2k3v n PRO 73 Cb 0.37 -1.05 -0.12 0.00 -0.02 0.00 0.00 33.50 32.68 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 -2.00 3.66 0.11 3.45 -4.23 -1.26 -4.93 115.64 110.44 2k3v s THR 74 Ca 0.50 -0.49 -0.15 0.00 -1.18 0.00 0.00 61.69 60.37 2k3v s THR 74 Cb -0.35 -2.51 -0.06 0.00 1.34 0.00 0.00 72.50 70.93 2k3v s THR 74 CO 0.73 0.59 1.48 0.00 -0.54 0.00 0.00 174.62 176.87 2k3v h ASP 76 N 0.48 0.00 -0.77 0.00 2.03 -1.63 2.23 116.42 118.75 2k3v h ASP 76 Ca 0.07 0.00 0.10 0.00 -0.73 0.00 0.00 57.03 56.47 2k3v h ASP 76 Cb 0.71 0.00 -0.07 0.00 -0.83 0.00 0.00 39.33 39.14 2k3v h ASP 76 CO 0.05 0.00 0.42 0.74 -1.03 0.00 0.00 179.24 179.42 2k3v h THR 77 N 0.00 0.87 0.00 1.15 2.02 -1.85 -3.31 112.91 111.79 2k3v h THR 77 Ca 0.79 -0.24 -0.11 0.00 0.77 0.00 0.00 66.41 67.62 2k3v h THR 77 Cb 3.42 0.12 -0.02 0.00 -1.74 0.00 0.00 68.15 69.93 2k3v h THR 77 CO -0.01 0.13 -1.35 0.00 0.37 0.00 0.00 175.52 174.66 2k3v s HIS 79 N -2.12 3.35 -0.33 0.00 3.76 0.62 -4.86 115.29 115.72 2k3v s HIS 79 Ca -0.09 -1.57 0.00 0.00 -0.15 0.00 0.00 55.06 53.25 2k3v s HIS 79 Cb 0.03 -4.08 0.30 0.00 1.11 0.00 0.00 32.58 29.95 2k3v s HIS 79 CO 0.11 -1.28 1.83 -0.40 -0.85 0.00 0.00 174.74 174.15 2k3v n ASP 80 N 5.55 5.41 -0.96 1.40 5.68 -1.25 -2.44 116.55 129.95 2k3v n ASP 80 Ca 0.16 -3.08 0.09 0.00 -0.50 0.00 0.00 54.79 51.46 2k3v n ASP 80 Cb 0.48 -0.91 0.27 0.00 -1.14 0.00 0.00 41.12 39.82 2k3v n ASP 80 CO 0.00 0.00 0.00 -0.90 -1.33 0.00 0.00 177.20 174.97 2k3v n ASP 81 N -0.08 4.01 0.00 -1.12 5.75 -1.26 -4.90 116.55 118.95 2k3v n ASP 81 Ca 0.35 -3.02 0.00 0.00 -0.01 0.00 0.00 54.79 52.11 2k3v n ASP 81 Cb 0.81 -0.56 0.00 0.00 -1.03 0.00 0.00 41.12 40.35 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 -0.44 1.81 2.63 6.12 0.00 -1.26 -5.00 105.19 109.06 2k3v n GLY 82 Ca 0.22 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.80 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 -4.26 1.61 3.00 -1.25 -4.94 116.66 108.82 2k3v n ARG 83 Ca 0.00 0.00 -0.17 0.00 -0.00 0.00 0.00 57.85 57.68 2k3v n ARG 83 Cb 0.00 -1.10 -0.11 0.00 0.00 0.00 0.00 32.46 31.25 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 -0.05 1.35 0.81 5.15 -4.23 -1.26 -4.13 115.64 113.27 2k3v s THR 84 Ca 0.67 -1.89 -0.12 0.00 -1.18 0.00 0.00 61.69 59.17 2k3v s THR 84 Cb -0.94 -1.70 0.08 0.00 1.34 0.00 0.00 72.50 71.28 2k3v s THR 84 CO 0.43 -0.54 1.14 0.00 -0.54 0.00 0.00 174.62 175.11 2k3v s ALA 85 N -2.61 1.94 0.00 3.99 0.00 -1.26 -5.01 121.76 118.81 2k3v s ALA 85 Ca 0.13 0.57 0.00 0.00 0.00 0.00 0.00 51.96 52.66 2k3v s ALA 85 Cb -0.02 -3.40 0.00 0.00 0.00 0.00 0.00 23.12 19.70 2k3v s ALA 85 CO 0.03 -2.13 0.25 1.17 0.00 0.00 0.00 175.76 175.08