#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 4.06 -1.06 0.00 1.11 -1.26 -5.06 116.67 114.46 2k3v s ASP 2 Ca 0.00 -0.52 -0.15 0.00 0.18 0.00 0.00 52.55 52.06 2k3v s ASP 2 Cb 0.00 -0.64 0.18 0.00 1.07 0.00 0.00 42.92 43.53 2k3v s ASP 2 CO 0.00 0.17 1.22 -1.83 1.18 0.00 0.00 175.17 175.91 2k3v s GLU 3 N -2.26 3.90 0.87 8.23 1.03 -1.26 -5.02 118.70 124.19 2k3v s GLU 3 Ca 0.20 -2.39 -0.17 0.00 0.03 0.00 0.00 54.97 52.64 2k3v s GLU 3 Cb -0.10 -4.88 -0.14 0.00 -0.80 0.00 0.00 34.13 28.20 2k3v s GLU 3 CO 0.12 -1.65 -0.66 0.25 -1.33 0.00 0.00 175.26 172.00 2k3v n THR 4 N 4.57 0.00 -0.29 1.83 -2.24 -1.26 -2.90 114.28 113.99 2k3v n THR 4 Ca 0.28 -0.48 -0.04 0.00 -2.27 0.00 0.00 64.05 61.54 2k3v n THR 4 Cb 0.45 0.00 0.07 0.00 -2.10 0.00 0.00 70.33 68.75 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 -0.78 0.90 -0.48 3.22 5.85 -1.51 0.52 115.31 123.02 2k3v h LEU 5 Ca -0.42 -0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.28 2k3v h LEU 5 Cb 1.28 -0.23 -0.02 0.00 0.37 0.00 0.00 40.66 42.06 2k3v h LEU 5 CO 0.26 0.66 0.31 0.00 -0.34 0.00 0.00 178.44 179.32 2k3v h ALA 6 N 1.29 0.61 -0.04 1.25 0.00 -1.86 -1.47 119.26 119.04 2k3v h ALA 6 Ca 0.29 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.16 2k3v h ALA 6 Cb -0.12 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 17.47 2k3v h ALA 6 CO -0.06 0.07 0.02 1.49 0.00 0.00 0.00 179.25 180.77 2k3v h GLU 7 N 0.65 0.05 -1.00 0.00 4.57 -1.66 0.18 114.58 117.37 2k3v h GLU 7 Ca 0.18 -0.00 0.16 0.00 -1.18 0.00 0.00 59.36 58.51 2k3v h GLU 7 Cb -0.06 -0.01 -0.09 0.00 -0.16 0.00 0.00 28.75 28.43 2k3v h GLU 7 CO -0.04 0.03 0.62 0.35 -1.18 0.00 0.00 179.01 178.79 2k3v h PHE 8 N 0.05 1.08 -0.09 0.92 3.57 -0.58 0.16 116.94 122.05 2k3v h PHE 8 Ca 0.02 0.03 -0.18 0.00 3.53 0.00 0.00 57.97 61.37 2k3v h PHE 8 Cb -0.00 -0.33 -0.00 0.00 2.79 0.00 0.00 35.95 38.40 2k3v h PHE 8 CO -0.08 0.34 -0.71 0.45 -2.23 0.00 0.00 178.31 176.07 2k3v h HIS 9 N 0.86 0.59 0.52 0.41 3.86 -0.70 -3.15 115.15 117.54 2k3v h HIS 9 Ca 0.53 -0.25 -0.02 0.00 -1.16 0.00 0.00 60.37 59.47 2k3v h HIS 9 Cb 0.71 -0.09 -0.01 0.00 1.06 0.00 0.00 27.41 29.08 2k3v h HIS 9 CO -0.00 1.01 -0.35 0.28 0.86 0.00 0.00 177.93 179.72 2k3v h VAL 10 N 0.30 0.28 -0.01 2.45 2.07 0.21 -0.05 116.25 121.50 2k3v h VAL 10 Ca -0.03 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.50 2k3v h VAL 10 Cb 1.29 0.28 -0.00 0.00 -1.52 0.00 0.00 31.29 31.34 2k3v h VAL 10 CO 0.12 0.00 0.39 -0.08 0.02 0.00 0.00 177.57 178.03 2k3v h GLU 11 N -0.84 0.00 -0.50 1.57 4.57 -1.11 1.62 114.58 119.89 2k3v h GLU 11 Ca -0.06 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.12 2k3v h GLU 11 Cb 0.70 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.29 2k3v h GLU 11 CO 0.04 0.00 0.00 -1.33 -1.18 0.00 0.00 179.01 176.54 2k3v n MET 12 N -2.88 4.25 0.00 1.92 2.81 -0.09 -4.88 117.12 118.25 2k3v n MET 12 Ca -0.02 -3.04 0.00 0.00 -1.81 0.00 0.00 57.70 52.83 2k3v n MET 12 Cb 0.44 -2.10 0.00 0.00 -0.71 0.00 0.00 33.22 30.84 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 0.40 -2.03 0.00 3.03 0.00 0.52 -5.02 105.19 102.08 2k3v n GLY 13 Ca 0.26 0.67 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 -0.98 0.26 -0.02 0.00 0.11 -4.91 105.19 99.65 2k3v n GLY 14 Ca 0.00 -1.26 0.15 0.00 0.00 0.00 0.00 46.02 44.92 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 -3.10 1.09 0.19 0.00 1.02 -1.26 -2.89 120.64 115.69 2k3v n GLU 16 Ca 0.02 -0.13 0.05 0.00 -0.02 0.00 0.00 57.16 57.07 2k3v n GLU 16 Cb 0.38 -1.04 0.37 0.00 -0.02 0.00 0.00 31.44 31.14 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 0.22 0.00 0.00 1.62 -1.24 -1.78 -3.29 115.58 111.11 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 0.05 0.00 -0.20 0.00 0.73 0.00 0.00 38.32 38.90 2k3v h ASN 17 CO 0.00 0.37 -0.63 0.00 -1.29 0.00 0.00 177.43 175.88 2k3v s HIS 19 N 0.00 -0.23 -0.25 0.00 3.76 -1.14 -4.81 115.29 112.61 2k3v s HIS 19 Ca 0.15 0.58 -0.12 0.00 -0.15 0.00 0.00 55.06 55.52 2k3v s HIS 19 Cb 0.17 0.05 -0.05 0.00 1.11 0.00 0.00 32.58 33.86 2k3v s HIS 19 CO -0.07 -0.14 0.21 0.00 -0.85 0.00 0.00 174.74 173.89 2k3v s ALA 20 N 0.52 3.58 -1.64 -1.40 0.00 -1.26 -4.16 121.76 117.41 2k3v s ALA 20 Ca -0.03 -0.89 -0.20 0.00 0.00 0.00 0.00 51.96 50.83 2k3v s ALA 20 Cb -0.05 -2.43 0.20 0.00 0.00 0.00 0.00 23.12 20.84 2k3v s ALA 20 CO -0.03 -0.33 0.54 -3.47 0.00 0.00 0.00 175.76 172.47 2k3v n ASP 21 N 4.58 -1.90 -3.42 0.00 4.64 -1.26 0.39 116.55 119.59 2k3v n ASP 21 Ca -0.13 -1.00 -0.20 0.00 -1.38 0.00 0.00 54.79 52.07 2k3v n ASP 21 Cb 0.52 -1.65 0.06 0.00 -1.04 0.00 0.00 41.12 39.01 2k3v n ASP 21 CO 0.00 0.00 0.00 0.61 -0.82 0.00 0.00 177.20 176.99 2k3v n GLY 22 N -1.02 -0.99 2.51 0.27 0.00 -1.26 -4.99 105.19 99.70 2k3v n GLY 22 Ca 0.10 0.48 -0.20 0.00 0.00 0.00 0.00 46.02 46.40 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 -5.04 0.93 -0.17 1.61 -6.30 0.16 -5.11 118.70 104.78 2k3v s GLU 23 Ca 0.40 -1.77 -0.41 0.00 -2.50 0.00 0.00 54.97 50.69 2k3v s GLU 23 Cb -0.08 -1.01 -0.18 0.00 0.00 0.00 0.00 34.13 32.86 2k3v s GLU 23 CO 0.78 -1.36 1.47 -2.30 0.02 0.00 0.00 175.26 173.86 2k3v n PRO 24 N 2.94 0.67 -1.55 4.30 -0.02 -1.26 -4.24 135.00 135.84 2k3v n PRO 24 Ca 0.26 0.24 -0.42 0.00 -2.02 0.00 0.00 63.50 61.56 2k3v n PRO 24 Cb 0.50 -1.84 0.00 0.00 -0.02 0.00 0.00 33.50 32.14 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 3.52 0.54 -2.25 2.55 3.41 -1.26 -4.86 113.62 115.27 2k3v n SER 25 Ca 0.24 1.02 -0.27 0.00 -0.26 0.00 0.00 58.87 59.60 2k3v n SER 25 Cb 0.10 -1.26 0.15 0.00 -0.26 0.00 0.00 64.21 62.94 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 0.38 2.38 0.11 4.33 -0.00 -1.26 -4.45 118.16 119.65 2k3v n LYS 26 Ca 0.10 -3.08 0.00 0.00 -0.00 0.00 0.00 58.31 55.34 2k3v n LYS 26 Cb 0.38 -2.21 0.00 0.00 -0.00 0.00 0.00 35.03 33.20 2k3v n LYS 26 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.40 177.00 2k3v n ASP 27 N -1.07 -0.51 0.00 -5.58 5.75 -1.26 -5.07 116.55 108.82 2k3v n ASP 27 Ca 0.61 0.39 0.00 0.00 -0.01 0.00 0.00 54.79 55.78 2k3v n ASP 27 Cb 1.36 0.64 0.00 0.00 -1.03 0.00 0.00 41.12 42.09 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 1.12 1.52 0.06 6.12 0.00 -1.26 -4.96 105.19 107.78 2k3v n GLY 28 Ca 0.00 -0.29 -0.12 0.00 0.00 0.00 0.00 46.02 45.61 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 -0.04 -0.72 4.61 0.00 -1.97 0.13 119.26 121.27 2k3v h ALA 29 Ca 0.00 -0.07 0.16 0.00 0.00 0.00 0.00 54.91 55.00 2k3v h ALA 29 Cb 0.00 0.01 -0.11 0.00 0.00 0.00 0.00 17.79 17.69 2k3v h ALA 29 CO 0.00 -0.46 0.13 -0.92 0.00 0.00 0.00 179.25 178.00 2k3v h TYR 30 N -0.16 0.19 -0.01 0.00 3.20 -1.98 -0.81 116.97 117.40 2k3v h TYR 30 Ca -0.00 0.04 -0.00 0.00 3.14 0.00 0.00 58.73 61.91 2k3v h TYR 30 Cb 0.15 0.03 -0.00 0.00 1.54 0.00 0.00 36.73 38.44 2k3v h TYR 30 CO -0.03 -0.12 -0.01 0.93 -1.64 0.00 0.00 178.16 177.29 2k3v h GLU 31 N 0.22 0.03 -1.34 1.82 5.08 -1.84 -2.90 114.58 115.66 2k3v h GLU 31 Ca 0.40 -0.01 0.39 0.00 -1.00 0.00 0.00 59.36 59.14 2k3v h GLU 31 Cb 0.69 -0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.89 2k3v h GLU 31 CO -0.53 0.44 1.05 0.35 -1.00 0.00 0.00 179.01 179.31 2k3v h PHE 32 N -0.38 0.00 -0.41 4.33 3.57 0.60 1.22 116.94 125.87 2k3v h PHE 32 Ca 0.00 0.00 -0.11 0.00 3.53 0.00 0.00 57.97 61.39 2k3v h PHE 32 Cb 0.43 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 39.16 2k3v h PHE 32 CO 0.07 0.00 -0.18 0.93 -2.23 0.00 0.00 178.31 176.90 2k3v h GLU 33 N 0.00 0.84 -1.00 1.11 5.08 -1.04 -2.87 114.58 116.70 2k3v h GLU 33 Ca 0.63 -0.36 0.23 0.00 -1.00 0.00 0.00 59.36 58.87 2k3v h GLU 33 Cb 2.72 -0.03 -0.09 0.00 0.50 0.00 0.00 28.75 31.85 2k3v h GLU 33 CO -0.01 1.00 0.64 1.96 -1.00 0.00 0.00 179.01 181.60 2k3v h GLN 34 N 0.65 0.48 -1.88 2.33 1.08 0.15 0.21 115.11 118.14 2k3v h GLN 34 Ca 0.09 -0.03 -0.38 0.00 -1.45 0.00 0.00 58.65 56.89 2k3v h GLN 34 Cb 0.74 -0.11 -0.14 0.00 -0.05 0.00 0.00 27.48 27.92 2k3v h GLN 34 CO 0.06 0.32 0.24 0.00 -0.95 0.00 0.00 178.83 178.49 2k3v n GLN 36 N 1.07 0.84 0.00 0.00 7.27 0.75 -4.42 117.38 122.89 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 0.62 -1.36 0.00 0.00 2.41 0.00 0.00 30.24 31.91 2k3v n GLN 36 CO 0.00 0.00 0.00 0.43 0.07 0.00 0.00 177.06 177.56 2k3v n SER 37 N 1.03 0.00 0.00 1.69 7.64 -1.26 -4.82 113.62 117.91 2k3v n SER 37 Ca 0.16 0.00 0.07 0.00 1.01 0.00 0.00 58.87 60.11 2k3v n SER 37 Cb 0.61 0.23 0.29 0.00 -1.01 0.00 0.00 64.21 64.33 2k3v n SER 37 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2k3v n HIS 39 N -1.49 0.00 -1.73 0.00 -0.00 -1.26 -5.18 115.22 105.56 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 4.74 -0.25 3.62 -1.41 0.00 -1.26 -5.04 105.19 105.59 2k3v n GLY 40 Ca 0.00 -1.10 -0.30 0.00 0.00 0.00 0.00 46.02 44.62 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 4.67 0.46 1.61 0.15 -1.26 -4.34 113.70 110.99 2k3v s SER 41 Ca 0.00 -0.28 0.15 0.00 0.70 0.00 0.00 55.95 56.53 2k3v s SER 41 Cb 0.00 -1.01 1.12 0.00 -1.71 0.00 0.00 66.02 64.42 2k3v s SER 41 CO 0.00 0.19 2.02 -0.07 1.20 0.00 0.00 173.24 176.58 2k3v h LEU 42 N 3.66 0.25 0.00 3.45 3.38 -1.94 0.90 115.31 125.02 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 1.17 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.87 2k3v h LEU 42 CO 0.55 0.16 0.00 0.00 0.09 0.00 0.00 178.44 179.24 2k3v n ALA 43 N -2.54 1.87 -1.46 1.53 0.00 -1.26 -1.64 120.51 117.01 2k3v n ALA 43 Ca 0.07 -0.07 0.07 0.00 0.00 0.00 0.00 53.44 53.51 2k3v n ALA 43 Cb 0.33 -1.25 0.17 0.00 0.00 0.00 0.00 19.45 18.70 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 -1.29 1.38 -2.62 0.00 4.71 0.31 -4.97 120.64 118.17 2k3v n GLU 44 Ca 0.07 -2.94 -0.08 0.00 -0.01 0.00 0.00 57.16 54.20 2k3v n GLU 44 Cb 0.13 -1.48 -0.02 0.00 -1.01 0.00 0.00 31.44 29.06 2k3v n GLU 44 CO 0.00 0.00 0.00 -1.33 0.09 0.00 0.00 177.13 175.89 2k3v n MET 45 N -1.14 1.63 -0.44 3.49 2.81 -0.65 -4.78 117.12 118.04 2k3v n MET 45 Ca 0.17 -0.95 -0.22 0.00 -1.81 0.00 0.00 57.70 54.89 2k3v n MET 45 Cb 0.69 0.24 0.19 0.00 -0.71 0.00 0.00 33.22 33.63 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 -1.20 -3.31 -0.13 7.83 5.68 -1.26 -4.54 116.55 119.63 2k3v n ASP 46 Ca -0.05 -0.52 0.06 0.00 -0.50 0.00 0.00 54.79 53.79 2k3v n ASP 46 Cb 0.17 -0.85 0.33 0.00 -1.14 0.00 0.00 41.12 39.63 2k3v n ASP 46 CO 0.00 0.00 0.00 -0.90 -1.33 0.00 0.00 177.20 174.97 2k3v n ASP 47 N -2.72 0.37 -0.04 -1.12 5.75 -1.26 -2.10 116.55 115.43 2k3v n ASP 47 Ca 0.08 -1.67 0.03 0.00 -0.01 0.00 0.00 54.79 53.21 2k3v n ASP 47 Cb 0.43 -0.03 -0.16 0.00 -1.03 0.00 0.00 41.12 40.33 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 -0.45 0.20 -0.07 -1.12 3.02 -1.26 -4.26 115.26 111.31 2k3v n ASN 48 Ca 0.10 0.00 -0.20 0.00 -0.03 0.00 0.00 54.58 54.45 2k3v n ASN 48 Cb 0.10 1.57 -0.13 0.00 -0.61 0.00 0.00 39.78 40.71 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 -2.42 0.59 -0.01 3.10 8.25 -1.11 -4.44 115.22 119.17 2k3v n HIS 49 Ca -0.15 0.13 -0.01 0.00 -0.26 0.00 0.00 57.72 57.43 2k3v n HIS 49 Cb 0.78 -1.08 -0.01 0.00 1.12 0.00 0.00 29.99 30.80 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 -0.46 -0.41 1.57 -1.25 0.54 116.57 116.48 2k3v h LYS 50 Ca -0.51 0.00 0.15 0.00 -1.87 0.00 0.00 60.65 58.42 2k3v h LYS 50 Cb 1.93 0.01 -0.09 0.00 0.08 0.00 0.00 32.23 34.17 2k3v h LYS 50 CO -0.03 -0.03 0.08 -2.30 -0.57 0.00 0.00 179.45 176.61 2k3v n PRO 51 N -2.98 -0.03 -0.06 3.15 -0.02 -1.26 0.25 135.00 134.05 2k3v n PRO 51 Ca -0.00 0.67 -0.14 0.00 -2.02 0.00 0.00 63.50 62.01 2k3v n PRO 51 Cb 0.04 -1.11 -0.12 0.00 -0.02 0.00 0.00 33.50 32.28 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 -1.30 -3.46 115.15 120.25 2k3v h HIS 52 Ca 0.31 -0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.52 2k3v h HIS 52 Cb 0.71 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.19 2k3v h HIS 52 CO -0.17 0.93 0.00 -3.47 0.86 0.00 0.00 177.93 176.09 2k3v n ASP 53 N -4.64 0.00 -0.45 2.45 -0.08 0.71 -1.90 116.55 112.64 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 2.07 0.27 0.00 -1.26 -4.91 105.19 101.96 2k3v n GLY 54 Ca 0.00 -0.32 0.00 0.00 0.00 0.00 0.00 46.02 45.70 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 -0.45 -1.20 -4.28 0.99 4.77 -0.80 -5.14 117.00 110.89 2k3v n LEU 55 Ca 0.00 0.27 -0.22 0.00 -0.03 0.00 0.00 56.01 56.04 2k3v n LEU 55 Cb 0.20 1.42 -0.12 0.00 -2.33 0.00 0.00 43.42 42.59 2k3v n LEU 55 CO 0.00 -0.29 -0.49 -1.48 -1.33 0.00 0.00 177.39 173.81 2k3v s LEU 56 N -5.61 2.36 0.96 2.23 2.34 -1.26 -5.15 118.68 114.56 2k3v s LEU 56 Ca 0.00 -0.76 -0.14 0.00 0.06 0.00 0.00 54.13 53.29 2k3v s LEU 56 Cb 0.00 -0.78 0.17 0.00 -0.56 0.00 0.00 46.19 45.02 2k3v s LEU 56 CO 0.00 -0.02 1.18 -0.04 -1.06 0.00 0.00 176.35 176.41 2k3v s MET 57 N -2.32 0.70 0.00 1.48 -1.94 -1.26 -4.86 119.30 111.10 2k3v s MET 57 Ca 0.09 0.05 0.00 0.00 -1.71 0.00 0.00 55.69 54.12 2k3v s MET 57 Cb -0.08 -1.81 0.00 0.00 2.01 0.00 0.00 34.83 34.95 2k3v s MET 57 CO 0.05 -2.45 0.86 0.00 -0.01 0.00 0.00 175.02 173.47 2k3v n ALA 59 N -2.00 0.06 -0.48 0.00 0.00 -1.26 0.27 120.51 117.10 2k3v n ALA 59 Ca 0.00 0.95 0.38 0.00 0.00 0.00 0.00 53.44 54.76 2k3v n ALA 59 Cb 0.00 -0.50 0.60 0.00 0.00 0.00 0.00 19.45 19.55 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 -5.40 0.08 -0.07 0.00 9.92 -1.18 0.04 116.55 119.94 2k3v n ASP 60 Ca 0.12 0.94 -0.12 0.00 -0.53 0.00 0.00 54.79 55.20 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 -4.01 1.96 -1.46 0.00 8.25 0.24 -4.84 115.22 115.36 2k3v n HIS 62 Ca -0.22 -2.64 -0.36 0.00 -0.26 0.00 0.00 57.72 54.24 2k3v n HIS 62 Cb 0.54 -2.06 -0.16 0.00 1.12 0.00 0.00 29.99 29.42 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 2.65 0.46 0.29 -1.41 0.00 0.11 -4.35 120.51 118.26 2k3v n ALA 63 Ca 0.66 -0.38 -0.16 0.00 0.00 0.00 0.00 53.44 53.56 2k3v n ALA 63 Cb 0.39 -2.24 -0.08 0.00 0.00 0.00 0.00 19.45 17.51 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 11.51 -0.71 -2.85 0.00 0.11 -1.87 1.48 132.00 139.67 2k3v h PRO 64 Ca -0.03 0.05 -0.63 0.00 0.11 0.00 0.00 66.00 65.50 2k3v h PRO 64 Cb 1.24 0.16 0.00 0.00 0.11 0.00 0.00 31.00 32.51 2k3v h PRO 64 CO 1.41 -0.41 3.24 0.72 -0.21 0.00 0.00 178.00 182.75 2k3v n HIS 65 N -5.34 2.19 0.00 0.65 8.25 -1.26 -3.36 115.22 116.35 2k3v n HIS 65 Ca -0.12 -2.90 0.00 0.00 -0.26 0.00 0.00 57.72 54.45 2k3v n HIS 65 Cb 0.33 -2.32 0.00 0.00 1.12 0.00 0.00 29.99 29.11 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 3.23 0.00 -0.77 -0.41 2.13 -1.20 -5.13 120.64 118.50 2k3v n GLU 66 Ca 0.73 0.00 -0.30 0.00 0.66 0.00 0.00 57.16 58.26 2k3v n GLU 66 Cb 0.30 0.00 0.19 0.00 0.27 0.00 0.00 31.44 32.20 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 0.78 -0.05 4.31 0.00 0.51 -4.93 121.76 122.38 2k3v s ALA 67 Ca 0.00 0.18 0.03 0.00 0.00 0.00 0.00 51.96 52.17 2k3v s ALA 67 Cb 0.00 -3.32 0.00 0.00 0.00 0.00 0.00 23.12 19.81 2k3v s ALA 67 CO 0.00 -3.05 -0.14 0.15 0.00 0.00 0.00 175.76 172.72 2k3v s LYS 68 N -4.65 1.60 -0.03 0.00 1.02 -1.26 -2.69 119.74 113.73 2k3v s LYS 68 Ca 0.66 -0.48 -0.30 0.00 0.02 0.00 0.00 55.97 55.87 2k3v s LYS 68 Cb -0.22 -1.37 -0.15 0.00 -0.52 0.00 0.00 37.83 35.57 2k3v s LYS 68 CO 0.60 0.13 0.83 0.28 -0.92 0.00 0.00 175.35 176.28 2k3v n VAL 69 N 3.43 0.00 -1.87 3.17 0.31 -1.14 -1.71 118.33 120.52 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 0.53 -0.03 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 1.28 0.90 3.43 2.92 0.00 -1.26 -4.98 105.19 107.48 2k3v n GLY 70 Ca 0.16 -0.58 -0.33 0.00 0.00 0.00 0.00 46.02 45.27 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 -3.80 2.74 -0.41 1.61 0.41 -0.69 -5.09 118.70 113.47 2k3v s GLU 71 Ca 0.00 -0.71 -0.05 0.00 -0.41 0.00 0.00 54.97 53.80 2k3v s GLU 71 Cb 0.00 -2.43 0.10 0.00 -1.78 0.00 0.00 34.13 30.02 2k3v s GLU 71 CO 0.00 0.50 0.21 0.15 -0.49 0.00 0.00 175.26 175.63 2k3v s LYS 72 N -0.40 2.23 0.80 1.61 1.02 -1.26 -4.99 119.74 118.74 2k3v s LYS 72 Ca 0.04 -1.68 -0.16 0.00 0.02 0.00 0.00 55.97 54.19 2k3v s LYS 72 Cb -0.12 -3.63 -0.05 0.00 -0.52 0.00 0.00 37.83 33.51 2k3v s LYS 72 CO 0.02 -1.02 0.23 -2.30 -0.92 0.00 0.00 175.35 171.36 2k3v n PRO 73 N 4.70 0.09 -4.66 -1.68 -0.02 -1.26 -4.98 135.00 127.19 2k3v n PRO 73 Ca -0.06 0.06 -0.34 0.00 -2.02 0.00 0.00 63.50 61.15 2k3v n PRO 73 Cb 0.42 -1.63 -0.12 0.00 -0.02 0.00 0.00 33.50 32.15 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 -2.05 3.53 0.13 3.45 -4.23 -1.26 -4.92 115.64 110.29 2k3v s THR 74 Ca 0.59 -0.53 -0.14 0.00 -1.18 0.00 0.00 61.69 60.43 2k3v s THR 74 Cb -0.30 -2.46 -0.02 0.00 1.34 0.00 0.00 72.50 71.06 2k3v s THR 74 CO 0.65 0.57 1.56 0.00 -0.54 0.00 0.00 174.62 176.86 2k3v h ASP 76 N 0.59 0.00 -0.79 0.00 5.19 -1.63 2.22 116.42 122.00 2k3v h ASP 76 Ca 0.11 0.00 0.07 0.00 -0.62 0.00 0.00 57.03 56.60 2k3v h ASP 76 Cb 0.54 0.00 -0.06 0.00 0.18 0.00 0.00 39.33 39.99 2k3v h ASP 76 CO 0.03 0.00 0.46 0.74 -3.12 0.00 0.00 179.24 177.35 2k3v h THR 77 N 0.00 0.97 0.00 0.35 2.02 -1.80 -3.32 112.91 111.13 2k3v h THR 77 Ca 0.68 -0.28 -0.12 0.00 0.77 0.00 0.00 66.41 67.46 2k3v h THR 77 Cb 3.13 0.08 -0.02 0.00 -1.74 0.00 0.00 68.15 69.60 2k3v h THR 77 CO -0.01 0.15 -1.36 0.00 0.37 0.00 0.00 175.52 174.67 2k3v s HIS 79 N -2.14 3.25 -0.31 0.00 3.76 0.62 -4.85 115.29 115.63 2k3v s HIS 79 Ca -0.10 -1.46 0.01 0.00 -0.15 0.00 0.00 55.06 53.36 2k3v s HIS 79 Cb 0.04 -4.14 0.33 0.00 1.11 0.00 0.00 32.58 29.92 2k3v s HIS 79 CO 0.13 -1.35 1.73 -0.25 -0.85 0.00 0.00 174.74 174.14 2k3v n ASP 80 N 5.93 4.78 -1.14 1.40 9.92 -1.25 -2.56 116.55 133.64 2k3v n ASP 80 Ca 0.17 -3.03 0.08 0.00 -0.53 0.00 0.00 54.79 51.48 2k3v n ASP 80 Cb 0.48 -0.84 0.29 0.00 -0.64 0.00 0.00 41.12 40.41 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 -0.21 4.27 0.00 -2.24 5.68 -1.26 -4.90 116.55 117.90 2k3v n ASP 81 Ca 0.35 -2.88 0.00 0.00 -0.50 0.00 0.00 54.79 51.76 2k3v n ASP 81 Cb 0.93 -0.55 0.00 0.00 -1.14 0.00 0.00 41.12 40.36 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 -0.08 2.71 2.65 6.12 0.00 -1.25 -5.01 105.19 110.33 2k3v n GLY 82 Ca 0.22 0.00 -0.42 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 -4.15 1.61 3.00 -1.25 -4.94 116.66 108.93 2k3v n ARG 83 Ca 0.00 0.00 -0.12 0.00 -0.00 0.00 0.00 57.85 57.73 2k3v n ARG 83 Cb 0.00 -1.01 -0.10 0.00 0.00 0.00 0.00 32.46 31.34 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 -0.27 0.74 0.81 5.15 -4.23 -1.26 -4.04 115.64 112.54 2k3v s THR 84 Ca 0.62 -1.69 -0.13 0.00 -1.18 0.00 0.00 61.69 59.31 2k3v s THR 84 Cb -0.88 -1.39 0.09 0.00 1.34 0.00 0.00 72.50 71.66 2k3v s THR 84 CO 0.43 -0.69 1.19 0.00 -0.54 0.00 0.00 174.62 175.01 2k3v s ALA 85 N -2.87 1.83 -0.62 3.99 0.00 -1.26 -5.00 121.76 117.83 2k3v s ALA 85 Ca 0.06 0.78 0.05 0.00 0.00 0.00 0.00 51.96 52.85 2k3v s ALA 85 Cb 0.00 -3.47 0.04 0.00 0.00 0.00 0.00 23.12 19.69 2k3v s ALA 85 CO -0.02 -2.29 0.66 1.17 0.00 0.00 0.00 175.76 175.27