#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 7.02 -0.15 0.00 1.01 -1.26 -5.04 116.67 118.25 2k3v s ASP 2 Ca 0.00 1.36 -0.22 0.00 0.71 0.00 0.00 52.55 54.40 2k3v s ASP 2 Cb 0.00 -2.40 -0.03 0.00 1.01 0.00 0.00 42.92 41.51 2k3v s ASP 2 CO 0.00 0.04 0.68 -1.83 0.21 0.00 0.00 175.17 174.27 2k3v s GLU 3 N -1.97 4.30 0.89 8.23 1.03 -1.26 -4.97 118.70 124.94 2k3v s GLU 3 Ca 0.42 0.76 -0.13 0.00 0.03 0.00 0.00 54.97 56.05 2k3v s GLU 3 Cb -0.16 -3.53 0.06 0.00 -0.80 0.00 0.00 34.13 29.69 2k3v s GLU 3 CO 0.21 -0.15 0.71 0.25 -1.33 0.00 0.00 175.26 174.94 2k3v n THR 4 N 4.39 0.60 -0.23 1.83 -2.24 -1.26 -2.61 114.28 114.77 2k3v n THR 4 Ca -0.00 -0.19 -0.02 0.00 -2.27 0.00 0.00 64.05 61.57 2k3v n THR 4 Cb 0.50 -0.81 0.18 0.00 -2.10 0.00 0.00 70.33 68.10 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 -1.35 0.92 -1.94 3.22 5.85 -1.35 -0.16 115.31 120.50 2k3v h LEU 5 Ca -0.44 -0.08 -0.00 0.00 0.84 0.00 0.00 57.88 58.20 2k3v h LEU 5 Cb 1.29 -0.23 -0.00 0.00 0.37 0.00 0.00 40.66 42.09 2k3v h LEU 5 CO 0.39 0.75 -0.01 0.00 -0.34 0.00 0.00 178.44 179.23 2k3v h ALA 6 N 1.40 1.95 0.34 1.25 0.00 -1.84 -2.18 119.26 120.18 2k3v h ALA 6 Ca 0.26 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 55.13 2k3v h ALA 6 Cb 0.04 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.82 2k3v h ALA 6 CO -0.04 0.04 -0.16 0.93 0.00 0.00 0.00 179.25 180.01 2k3v h GLU 7 N 0.03 -0.44 -1.02 0.00 3.07 -1.37 -1.26 114.58 113.59 2k3v h GLU 7 Ca 0.01 0.03 0.37 0.00 -0.50 0.00 0.00 59.36 59.27 2k3v h GLU 7 Cb 0.03 0.10 -0.16 0.00 -0.84 0.00 0.00 28.75 27.88 2k3v h GLU 7 CO 0.00 -0.29 0.57 0.35 -1.40 0.00 0.00 179.01 178.24 2k3v h PHE 8 N -0.97 0.87 -0.17 4.33 3.57 -1.17 1.46 116.94 124.85 2k3v h PHE 8 Ca -0.05 0.04 -0.21 0.00 3.53 0.00 0.00 57.97 61.28 2k3v h PHE 8 Cb 0.35 -0.22 0.01 0.00 2.79 0.00 0.00 35.95 38.88 2k3v h PHE 8 CO 0.01 -0.32 -0.73 0.45 -2.23 0.00 0.00 178.31 175.49 2k3v h HIS 9 N 0.17 1.04 0.36 0.41 3.86 -1.44 -3.09 115.15 116.47 2k3v h HIS 9 Ca 0.79 -0.44 -0.00 0.00 -1.16 0.00 0.00 60.37 59.55 2k3v h HIS 9 Cb 1.98 -0.17 -0.02 0.00 1.06 0.00 0.00 27.41 30.26 2k3v h HIS 9 CO -0.01 1.27 -0.36 0.28 0.86 0.00 0.00 177.93 179.97 2k3v h VAL 10 N 0.55 0.26 0.00 2.45 2.07 0.31 0.11 116.25 122.01 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 0.26 0.00 0.00 -1.52 0.00 0.00 31.29 31.39 2k3v h VAL 10 CO 0.15 0.00 0.35 -0.08 0.02 0.00 0.00 177.57 178.01 2k3v h GLU 11 N -0.75 0.00 -0.54 1.57 4.81 -0.91 1.58 114.58 120.34 2k3v h GLU 11 Ca -0.03 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.20 2k3v h GLU 11 Cb 0.67 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.05 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 -2.81 4.13 0.00 1.92 2.81 0.33 -4.88 117.12 118.63 2k3v n MET 12 Ca -0.02 -2.99 0.00 0.00 -1.81 0.00 0.00 57.70 52.88 2k3v n MET 12 Cb 0.39 -2.04 0.00 0.00 -0.71 0.00 0.00 33.22 30.86 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 0.61 -2.04 0.00 3.03 0.00 0.50 -5.02 105.19 102.26 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 -0.99 0.20 -0.02 0.00 0.13 -4.90 105.19 99.61 2k3v n GLY 14 Ca 0.00 -1.29 0.14 0.00 0.00 0.00 0.00 46.02 44.87 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 -2.71 1.35 0.18 0.00 4.71 -1.26 -3.05 120.64 119.86 2k3v n GLU 16 Ca 0.02 -0.46 0.05 0.00 -0.01 0.00 0.00 57.16 56.76 2k3v n GLU 16 Cb 0.32 -1.20 0.31 0.00 -1.01 0.00 0.00 31.44 29.86 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 0.71 0.00 0.00 1.62 -1.24 -1.74 -3.30 115.58 111.62 2k3v h ASN 17 Ca 0.00 0.00 -0.12 0.00 0.71 0.00 0.00 56.30 56.89 2k3v h ASN 17 Cb 0.27 0.00 -0.23 0.00 0.73 0.00 0.00 38.32 39.10 2k3v h ASN 17 CO 0.02 0.41 -0.67 0.00 -1.29 0.00 0.00 177.43 175.89 2k3v s HIS 19 N 0.00 -0.32 -0.21 0.00 3.76 -1.17 -4.84 115.29 112.52 2k3v s HIS 19 Ca 0.17 0.78 -0.19 0.00 -0.15 0.00 0.00 55.06 55.67 2k3v s HIS 19 Cb 0.19 -0.00 -0.03 0.00 1.11 0.00 0.00 32.58 33.85 2k3v s HIS 19 CO -0.08 -0.25 0.53 0.00 -0.85 0.00 0.00 174.74 174.08 2k3v s ALA 20 N 1.55 3.55 -1.49 -1.40 0.00 -1.26 -4.08 121.76 118.63 2k3v s ALA 20 Ca -0.06 -0.41 -0.16 0.00 0.00 0.00 0.00 51.96 51.32 2k3v s ALA 20 Cb -0.11 -2.84 0.14 0.00 0.00 0.00 0.00 23.12 20.31 2k3v s ALA 20 CO -0.08 -0.50 0.60 -0.25 0.00 0.00 0.00 175.76 175.53 2k3v n ASP 21 N 4.92 -2.86 -3.64 0.00 9.92 -1.26 -0.18 116.55 123.44 2k3v n ASP 21 Ca -0.04 -0.78 -0.25 0.00 -0.53 0.00 0.00 54.79 53.19 2k3v n ASP 21 Cb 0.50 -2.39 0.04 0.00 -0.64 0.00 0.00 41.12 38.63 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 -1.17 -0.73 2.58 0.44 0.00 -1.26 -4.97 105.19 100.09 2k3v n GLY 22 Ca 0.06 0.34 -0.19 0.00 0.00 0.00 0.00 46.02 46.23 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 -5.77 0.84 0.10 1.61 2.56 0.75 -5.12 118.70 113.66 2k3v s GLU 23 Ca 0.28 -1.48 -0.34 0.00 0.00 0.00 0.00 54.97 53.43 2k3v s GLU 23 Cb -0.08 -0.92 -0.18 0.00 2.00 0.00 0.00 34.13 34.95 2k3v s GLU 23 CO 0.83 -1.31 0.89 -2.30 -0.56 0.00 0.00 175.26 172.81 2k3v n PRO 24 N 3.35 0.21 -1.47 4.30 -0.02 -1.26 -4.28 135.00 135.82 2k3v n PRO 24 Ca 0.21 0.07 -0.37 0.00 -2.02 0.00 0.00 63.50 61.40 2k3v n PRO 24 Cb 0.48 -1.39 0.07 0.00 -0.02 0.00 0.00 33.50 32.64 2k3v n PRO 24 CO 0.00 0.00 0.00 0.43 1.98 0.00 0.00 175.50 177.91 2k3v n SER 25 N 1.77 0.48 -2.09 2.55 7.64 -1.26 -4.89 113.62 117.82 2k3v n SER 25 Ca 0.18 0.72 -0.19 0.00 1.01 0.00 0.00 58.87 60.60 2k3v n SER 25 Cb 0.17 -1.39 0.21 0.00 -1.01 0.00 0.00 64.21 62.19 2k3v n SER 25 CO 0.00 0.00 0.00 2.29 -3.01 0.00 0.00 175.04 174.32 2k3v n LYS 26 N -1.43 2.51 0.11 1.43 2.85 -1.26 -4.51 118.16 117.86 2k3v n LYS 26 Ca 0.13 -3.04 0.00 0.00 -1.05 0.00 0.00 58.31 54.35 2k3v n LYS 26 Cb 0.49 -2.16 0.00 0.00 -0.65 0.00 0.00 35.03 32.71 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 -0.95 -0.73 0.00 -5.58 5.68 -1.26 -5.08 116.55 108.63 2k3v n ASP 27 Ca 0.54 0.39 0.00 0.00 -0.50 0.00 0.00 54.79 55.22 2k3v n ASP 27 Cb 1.57 0.84 0.00 0.00 -1.14 0.00 0.00 41.12 42.39 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 0.84 3.92 0.36 6.12 0.00 -1.26 -4.96 105.19 110.21 2k3v n GLY 28 Ca 0.00 -0.90 -0.13 0.00 0.00 0.00 0.00 46.02 44.99 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 -0.56 -0.96 4.61 0.00 -1.97 0.12 119.26 120.50 2k3v h ALA 29 Ca 0.00 -0.03 0.29 0.00 0.00 0.00 0.00 54.91 55.17 2k3v h ALA 29 Cb 0.00 0.63 -0.17 0.00 0.00 0.00 0.00 17.79 18.25 2k3v h ALA 29 CO 0.00 -0.89 0.19 -0.92 0.00 0.00 0.00 179.25 177.64 2k3v h TYR 30 N -0.53 0.25 0.12 0.00 3.20 -1.99 0.29 116.97 118.32 2k3v h TYR 30 Ca 0.05 0.06 -0.01 0.00 3.14 0.00 0.00 58.73 61.98 2k3v h TYR 30 Cb 0.60 0.05 0.00 0.00 1.54 0.00 0.00 36.73 38.92 2k3v h TYR 30 CO -0.37 -0.38 -0.06 1.49 -1.64 0.00 0.00 178.16 177.21 2k3v h GLU 31 N 0.07 -0.16 -0.86 1.82 4.81 -1.53 -2.95 114.58 115.78 2k3v h GLU 31 Ca 0.64 0.01 0.25 0.00 -0.13 0.00 0.00 59.36 60.13 2k3v h GLU 31 Cb 1.41 0.04 -0.03 0.00 0.63 0.00 0.00 28.75 30.79 2k3v h GLU 31 CO -0.81 0.26 0.95 0.35 -0.73 0.00 0.00 179.01 179.03 2k3v h PHE 32 N -0.64 0.00 -0.43 0.92 3.57 0.20 1.19 116.94 121.76 2k3v h PHE 32 Ca -0.02 0.00 -0.09 0.00 3.53 0.00 0.00 57.97 61.40 2k3v h PHE 32 Cb 0.49 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 39.22 2k3v h PHE 32 CO 0.07 0.00 -0.07 0.93 -2.23 0.00 0.00 178.31 177.01 2k3v h GLU 33 N 0.00 0.80 -0.95 1.11 5.08 -0.97 -2.68 114.58 116.97 2k3v h GLU 33 Ca 0.41 -0.29 0.25 0.00 -1.00 0.00 0.00 59.36 58.72 2k3v h GLU 33 Cb 2.31 -0.05 -0.06 0.00 0.50 0.00 0.00 28.75 31.44 2k3v h GLU 33 CO -0.00 0.91 0.65 1.96 -1.00 0.00 0.00 179.01 181.52 2k3v h GLN 34 N 0.63 0.24 -1.92 2.33 1.08 0.14 0.12 115.11 117.73 2k3v h GLN 34 Ca 0.11 -0.01 -0.38 0.00 -1.45 0.00 0.00 58.65 56.92 2k3v h GLN 34 Cb 0.59 -0.05 -0.14 0.00 -0.05 0.00 0.00 27.48 27.83 2k3v h GLN 34 CO 0.04 0.16 0.20 0.00 -0.95 0.00 0.00 178.83 178.28 2k3v n GLN 36 N 1.17 0.77 0.00 0.00 7.27 0.42 -4.52 117.38 122.49 2k3v n GLN 36 Ca 0.42 -2.36 0.00 0.00 0.07 0.00 0.00 57.00 55.13 2k3v n GLN 36 Cb 0.64 -1.36 0.00 0.00 2.41 0.00 0.00 30.24 31.93 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 1.47 0.00 0.00 1.69 2.88 -1.26 -4.83 113.62 113.57 2k3v n SER 37 Ca 0.14 0.00 0.07 0.00 -1.33 0.00 0.00 58.87 57.75 2k3v n SER 37 Cb 0.59 0.19 0.33 0.00 -0.75 0.00 0.00 64.21 64.58 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 -1.47 0.00 -0.82 0.00 -0.00 -1.26 -5.17 115.22 106.49 2k3v n HIS 39 Ca 0.04 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.76 2k3v n HIS 39 Cb 0.17 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 30.16 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 -0.21 3.63 -1.41 0.00 -1.26 -5.05 105.19 105.55 2k3v n GLY 40 Ca 0.00 -1.05 -0.31 0.00 0.00 0.00 0.00 46.02 44.66 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 4.73 0.42 1.61 0.15 -1.26 -4.43 113.70 110.93 2k3v s SER 41 Ca 0.00 -0.19 0.14 0.00 0.70 0.00 0.00 55.95 56.60 2k3v s SER 41 Cb 0.00 -1.08 1.02 0.00 -1.71 0.00 0.00 66.02 64.25 2k3v s SER 41 CO 0.00 0.23 1.95 -0.07 1.20 0.00 0.00 173.24 176.55 2k3v h LEU 42 N 4.00 0.40 0.00 3.45 3.38 -1.94 1.23 115.31 125.83 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 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.85 2k3v h LEU 42 CO 0.55 0.23 0.00 0.00 0.09 0.00 0.00 178.44 179.31 2k3v n ALA 43 N -2.51 1.88 -1.40 1.53 0.00 -1.26 -1.71 120.51 117.03 2k3v n ALA 43 Ca 0.12 -0.07 0.08 0.00 0.00 0.00 0.00 53.44 53.56 2k3v n ALA 43 Cb 0.44 -1.26 0.18 0.00 0.00 0.00 0.00 19.45 18.80 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 -1.31 1.44 -2.41 0.00 2.13 0.42 -4.95 120.64 115.96 2k3v n GLU 44 Ca 0.07 -2.99 -0.07 0.00 0.66 0.00 0.00 57.16 54.84 2k3v n GLU 44 Cb 0.14 -1.55 -0.01 0.00 0.27 0.00 0.00 31.44 30.29 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 -1.23 1.61 -0.49 5.31 2.81 -0.69 -4.75 117.12 119.69 2k3v n MET 45 Ca 0.18 -0.78 -0.18 0.00 -1.81 0.00 0.00 57.70 55.10 2k3v n MET 45 Cb 0.67 0.17 0.16 0.00 -0.71 0.00 0.00 33.22 33.52 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 -1.33 -3.12 -0.22 7.83 8.00 -1.26 -4.55 116.55 121.90 2k3v n ASP 46 Ca -0.03 -0.44 0.03 0.00 0.71 0.00 0.00 54.79 55.06 2k3v n ASP 46 Cb 0.14 -0.78 0.13 0.00 -0.02 0.00 0.00 41.12 40.58 2k3v n ASP 46 CO 0.00 0.00 0.00 -0.90 -0.39 0.00 0.00 177.20 175.91 2k3v n ASP 47 N -1.67 0.63 -0.08 -2.24 5.68 -1.26 -2.33 116.55 115.28 2k3v n ASP 47 Ca 0.07 -1.92 -0.09 0.00 -0.50 0.00 0.00 54.79 52.35 2k3v n ASP 47 Cb 0.36 -0.07 -0.13 0.00 -1.14 0.00 0.00 41.12 40.13 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 -0.19 0.86 0.02 -1.12 3.02 -1.26 -4.23 115.26 112.35 2k3v n ASN 48 Ca 0.06 -0.00 -0.16 0.00 -0.03 0.00 0.00 54.58 54.44 2k3v n ASN 48 Cb 0.11 0.88 -0.14 0.00 -0.61 0.00 0.00 39.78 40.02 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 0.19 3.10 3.86 -1.82 -3.39 115.15 117.43 2k3v h HIS 49 Ca -0.46 -0.25 0.00 0.00 -1.16 0.00 0.00 60.37 58.50 2k3v h HIS 49 Cb 2.04 -0.01 -0.03 0.00 1.06 0.00 0.00 27.41 30.47 2k3v h HIS 49 CO 0.00 1.43 -0.35 0.87 0.86 0.00 0.00 177.93 180.74 2k3v h LYS 50 N 0.05 -0.56 -0.30 2.45 1.57 -1.33 -0.98 116.57 117.48 2k3v h LYS 50 Ca -0.33 0.04 0.10 0.00 -1.87 0.00 0.00 60.65 58.59 2k3v h LYS 50 Cb 2.02 0.13 -0.06 0.00 0.08 0.00 0.00 32.23 34.41 2k3v h LYS 50 CO 0.11 -0.38 0.05 -2.30 -0.57 0.00 0.00 179.45 176.37 2k3v n PRO 51 N -4.48 -0.02 -0.05 3.15 -0.02 -1.26 0.13 135.00 132.45 2k3v n PRO 51 Ca -0.07 0.44 -0.00 0.00 -2.02 0.00 0.00 63.50 61.85 2k3v n PRO 51 Cb 0.29 -0.72 -0.00 0.00 -0.02 0.00 0.00 33.50 33.05 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 -0.82 6.00 3.86 -1.60 -3.48 115.15 119.11 2k3v h HIS 52 Ca 0.20 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.41 2k3v h HIS 52 Cb 0.46 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.93 2k3v h HIS 52 CO -0.11 0.00 0.00 -3.47 0.86 0.00 0.00 177.93 175.21 2k3v n ASP 53 N -4.71 0.00 -1.20 2.45 2.03 0.35 -3.51 116.55 111.97 2k3v n ASP 53 Ca -0.00 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.31 2k3v n ASP 53 Cb 0.02 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.42 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 0.49 0.48 1.02 0.27 0.00 -1.26 -4.96 105.19 101.22 2k3v n GLY 54 Ca 0.00 -0.35 0.00 0.00 0.00 0.00 0.00 46.02 45.67 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 -1.02 0.00 -3.76 0.99 4.77 -1.23 -5.13 117.00 111.62 2k3v n LEU 55 Ca 0.00 0.00 -0.13 0.00 -0.03 0.00 0.00 56.01 55.85 2k3v n LEU 55 Cb 0.40 0.16 -0.09 0.00 -2.33 0.00 0.00 43.42 41.56 2k3v n LEU 55 CO 0.00 -0.25 0.01 -1.48 -1.33 0.00 0.00 177.39 174.34 2k3v s LEU 56 N -4.02 0.82 0.91 2.23 0.05 -1.26 -5.16 118.68 112.24 2k3v s LEU 56 Ca 0.00 0.27 -0.12 0.00 0.05 0.00 0.00 54.13 54.34 2k3v s LEU 56 Cb 0.00 1.23 0.13 0.00 -2.05 0.00 0.00 46.19 45.50 2k3v s LEU 56 CO 0.00 -0.34 1.09 -0.04 -0.55 0.00 0.00 176.35 176.51 2k3v s MET 57 N -0.84 1.17 0.00 1.48 -1.94 -1.26 -4.95 119.30 112.95 2k3v s MET 57 Ca -0.09 0.77 0.00 0.00 -1.71 0.00 0.00 55.69 54.66 2k3v s MET 57 Cb -0.04 -1.80 0.00 0.00 2.01 0.00 0.00 34.83 34.99 2k3v s MET 57 CO 0.03 -2.29 0.91 0.00 -0.01 0.00 0.00 175.02 173.66 2k3v n ALA 59 N -1.75 -0.10 -0.46 0.00 0.00 -1.26 0.27 120.51 117.22 2k3v n ALA 59 Ca 0.00 0.93 0.37 0.00 0.00 0.00 0.00 53.44 54.73 2k3v n ALA 59 Cb 0.00 -0.42 0.59 0.00 0.00 0.00 0.00 19.45 19.62 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 -5.37 0.10 -0.10 0.00 8.00 -1.16 0.19 116.55 118.22 2k3v n ASP 60 Ca 0.10 0.99 -0.17 0.00 0.71 0.00 0.00 54.79 56.42 2k3v n ASP 60 Cb 0.37 -0.49 -0.08 0.00 -0.02 0.00 0.00 41.12 40.90 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 -3.45 2.39 -1.41 0.00 8.25 0.52 -4.77 115.22 116.75 2k3v n HIS 62 Ca -0.37 -2.23 -0.34 0.00 -0.26 0.00 0.00 57.72 54.52 2k3v n HIS 62 Cb 0.82 -1.32 -0.16 0.00 1.12 0.00 0.00 29.99 30.46 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 0.23 0.48 0.28 -1.41 0.00 0.51 -4.36 120.51 116.24 2k3v n ALA 63 Ca 0.52 -0.39 -0.16 0.00 0.00 0.00 0.00 53.44 53.41 2k3v n ALA 63 Cb 0.36 -2.16 -0.08 0.00 0.00 0.00 0.00 19.45 17.56 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 11.02 -0.67 -3.04 0.00 0.11 -1.84 1.48 132.00 139.07 2k3v h PRO 64 Ca -0.03 0.05 -0.66 0.00 0.11 0.00 0.00 66.00 65.47 2k3v h PRO 64 Cb 1.19 0.15 0.03 0.00 0.11 0.00 0.00 31.00 32.48 2k3v h PRO 64 CO 1.36 -0.40 3.82 0.72 -0.21 0.00 0.00 178.00 183.29 2k3v n HIS 65 N -5.35 2.42 0.00 0.65 8.25 -1.26 -3.32 115.22 116.61 2k3v n HIS 65 Ca -0.12 -3.06 0.00 0.00 -0.26 0.00 0.00 57.72 54.28 2k3v n HIS 65 Cb 0.31 -2.48 0.00 0.00 1.12 0.00 0.00 29.99 28.94 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 3.66 0.00 -2.29 -0.41 2.13 -1.19 -5.13 120.64 117.42 2k3v n GLU 66 Ca 0.77 0.00 -0.36 0.00 0.66 0.00 0.00 57.16 58.23 2k3v n GLU 66 Cb 0.23 0.00 -0.01 0.00 0.27 0.00 0.00 31.44 31.93 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 2.90 -0.09 4.31 0.00 0.51 -4.94 121.76 124.45 2k3v s ALA 67 Ca 0.00 0.88 0.02 0.00 0.00 0.00 0.00 51.96 52.86 2k3v s ALA 67 Cb 0.00 -3.37 -0.02 0.00 0.00 0.00 0.00 23.12 19.74 2k3v s ALA 67 CO 0.00 -0.65 -0.15 0.15 0.00 0.00 0.00 175.76 175.11 2k3v s LYS 68 N -2.86 2.96 0.02 0.00 3.01 -1.26 -1.82 119.74 119.80 2k3v s LYS 68 Ca 0.66 -0.72 -0.31 0.00 -1.01 0.00 0.00 55.97 54.59 2k3v s LYS 68 Cb -0.27 -2.48 -0.16 0.00 -1.01 0.00 0.00 37.83 33.92 2k3v s LYS 68 CO 0.32 0.38 0.80 0.28 0.51 0.00 0.00 175.35 177.64 2k3v n VAL 69 N 3.02 0.21 -1.82 3.17 0.31 -1.07 -2.05 118.33 120.10 2k3v n VAL 69 Ca -0.18 -0.05 0.00 0.00 -0.01 0.00 0.00 64.34 64.10 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 1.26 0.92 2.72 2.92 0.00 -1.26 -4.91 105.19 106.84 2k3v n GLY 70 Ca 0.16 -0.55 -0.30 0.00 0.00 0.00 0.00 46.02 45.33 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 -3.69 0.80 -0.25 1.61 2.02 -0.87 -5.09 118.70 113.23 2k3v s GLU 71 Ca 0.00 -1.23 -0.29 0.00 0.02 0.00 0.00 54.97 53.47 2k3v s GLU 71 Cb 0.00 -2.02 -0.02 0.00 0.10 0.00 0.00 34.13 32.19 2k3v s GLU 71 CO 0.00 -1.02 1.50 -1.59 0.02 0.00 0.00 175.26 174.17 2k3v s LYS 72 N 1.40 3.84 0.83 1.61 -2.85 -1.26 -4.89 119.74 118.42 2k3v s LYS 72 Ca 0.11 1.52 -0.15 0.00 -1.00 0.00 0.00 55.97 56.45 2k3v s LYS 72 Cb -0.19 -3.98 -0.04 0.00 -2.06 0.00 0.00 37.83 31.56 2k3v s LYS 72 CO -0.20 -1.23 0.20 -2.30 0.10 0.00 0.00 175.35 171.92 2k3v n PRO 73 N 7.53 0.04 -4.13 1.78 -0.02 -1.26 -4.96 135.00 133.97 2k3v n PRO 73 Ca 0.17 0.05 -0.34 0.00 -2.02 0.00 0.00 63.50 61.36 2k3v n PRO 73 Cb 0.46 -1.63 -0.11 0.00 -0.02 0.00 0.00 33.50 32.20 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 4.46 0.13 3.45 -4.23 -1.26 -4.97 115.64 111.12 2k3v s THR 74 Ca 0.58 -0.15 -0.15 0.00 -1.18 0.00 0.00 61.69 60.78 2k3v s THR 74 Cb -0.29 -3.00 -0.01 0.00 1.34 0.00 0.00 72.50 70.55 2k3v s THR 74 CO 0.66 0.47 1.60 0.00 -0.54 0.00 0.00 174.62 176.81 2k3v h ASP 76 N 0.54 0.00 -0.81 0.00 3.32 -1.67 2.16 116.42 119.95 2k3v h ASP 76 Ca 0.12 0.00 0.12 0.00 0.02 0.00 0.00 57.03 57.29 2k3v h ASP 76 Cb 0.39 0.00 -0.08 0.00 0.22 0.00 0.00 39.33 39.85 2k3v h ASP 76 CO 0.01 0.00 0.43 0.74 -1.72 0.00 0.00 179.24 178.70 2k3v h THR 77 N 0.00 0.80 0.00 0.35 2.02 -1.80 -3.29 112.91 110.99 2k3v h THR 77 Ca 0.92 -0.23 -0.10 0.00 0.77 0.00 0.00 66.41 67.77 2k3v h THR 77 Cb 3.74 0.08 -0.02 0.00 -1.74 0.00 0.00 68.15 70.22 2k3v h THR 77 CO -0.01 0.12 -1.34 0.00 0.37 0.00 0.00 175.52 174.66 2k3v s HIS 79 N -2.11 3.47 -0.34 0.00 3.76 0.57 -4.86 115.29 115.79 2k3v s HIS 79 Ca -0.09 -1.69 0.01 0.00 -0.15 0.00 0.00 55.06 53.14 2k3v s HIS 79 Cb 0.03 -3.99 0.37 0.00 1.11 0.00 0.00 32.58 30.10 2k3v s HIS 79 CO 0.11 -1.19 1.75 -0.40 -0.85 0.00 0.00 174.74 174.16 2k3v n ASP 80 N 5.06 4.75 -1.31 1.40 5.68 -1.24 -2.36 116.55 128.53 2k3v n ASP 80 Ca 0.15 -3.12 0.08 0.00 -0.50 0.00 0.00 54.79 51.40 2k3v n ASP 80 Cb 0.47 -0.84 0.31 0.00 -1.14 0.00 0.00 41.12 39.93 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 -0.35 4.47 0.00 -1.12 5.75 -1.26 -4.89 116.55 119.16 2k3v n ASP 81 Ca 0.39 -2.68 0.00 0.00 -0.01 0.00 0.00 54.79 52.49 2k3v n ASP 81 Cb 1.00 -0.55 0.00 0.00 -1.03 0.00 0.00 41.12 40.55 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 0.42 1.29 2.52 6.12 0.00 -1.26 -5.00 105.19 109.28 2k3v n GLY 82 Ca 0.23 0.00 -0.43 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 -4.43 1.61 3.00 -1.25 -4.93 116.66 108.66 2k3v n ARG 83 Ca 0.00 0.00 -0.26 0.00 -0.00 0.00 0.00 57.85 57.59 2k3v n ARG 83 Cb 0.00 -1.07 -0.11 0.00 0.00 0.00 0.00 32.46 31.29 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 0.36 2.49 0.61 5.15 -4.23 -1.26 -4.40 115.64 114.36 2k3v s THR 84 Ca 0.66 -2.16 -0.16 0.00 -1.18 0.00 0.00 61.69 58.85 2k3v s THR 84 Cb -0.93 -2.25 -0.03 0.00 1.34 0.00 0.00 72.50 70.63 2k3v s THR 84 CO 0.43 -0.24 1.10 0.00 -0.54 0.00 0.00 174.62 175.37 2k3v s ALA 85 N -2.04 2.61 -0.64 3.99 0.00 -1.26 -5.04 121.76 119.38 2k3v s ALA 85 Ca 0.25 0.56 0.05 0.00 0.00 0.00 0.00 51.96 52.82 2k3v s ALA 85 Cb -0.07 -3.30 0.04 0.00 0.00 0.00 0.00 23.12 19.79 2k3v s ALA 85 CO 0.13 -1.00 0.66 1.17 0.00 0.00 0.00 175.76 176.72