#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 1.74 -4.66 0.00 9.92 -1.26 -4.81 116.55 117.48 2k3v n ASP 2 Ca 0.00 0.82 -0.55 0.00 -0.53 0.00 0.00 54.79 54.52 2k3v n ASP 2 Cb 0.00 -1.52 -0.07 0.00 -0.64 0.00 0.00 41.12 38.90 2k3v n ASP 2 CO 0.00 0.00 0.00 -1.84 0.13 0.00 0.00 177.20 175.49 2k3v n GLU 3 N -1.74 1.16 -0.93 -1.24 0.28 -1.26 -4.49 120.64 112.41 2k3v n GLU 3 Ca 0.15 0.42 -0.35 0.00 -0.16 0.00 0.00 57.16 57.23 2k3v n GLU 3 Cb 0.48 -2.09 0.07 0.00 1.43 0.00 0.00 31.44 31.33 2k3v n GLU 3 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 177.13 177.22 2k3v n THR 4 N 3.75 0.06 -0.17 3.84 -2.24 -1.26 -2.55 114.28 115.70 2k3v n THR 4 Ca 0.23 -0.38 -0.04 0.00 -2.27 0.00 0.00 64.05 61.60 2k3v n THR 4 Cb 0.16 -0.26 0.15 0.00 -2.10 0.00 0.00 70.33 68.28 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 0.86 -1.81 3.22 5.85 -1.56 -1.05 115.31 119.64 2k3v h LEU 5 Ca -0.44 -0.15 -0.02 0.00 0.84 0.00 0.00 57.88 58.11 2k3v h LEU 5 Cb 1.30 -0.23 -0.00 0.00 0.37 0.00 0.00 40.66 42.10 2k3v h LEU 5 CO 0.28 0.83 -0.09 0.00 -0.34 0.00 0.00 178.44 179.12 2k3v h ALA 6 N 1.29 1.85 0.32 1.25 0.00 -1.87 -2.30 119.26 119.79 2k3v h ALA 6 Ca 0.20 -0.08 -0.02 0.00 0.00 0.00 0.00 54.91 55.01 2k3v h ALA 6 Cb 0.29 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.07 2k3v h ALA 6 CO -0.00 0.12 -0.15 1.49 0.00 0.00 0.00 179.25 180.70 2k3v h GLU 7 N 0.00 -0.41 -1.05 0.00 4.81 -1.53 -1.52 114.58 114.88 2k3v h GLU 7 Ca -0.00 0.03 0.38 0.00 -0.13 0.00 0.00 59.36 59.64 2k3v h GLU 7 Cb 0.16 0.09 -0.16 0.00 0.63 0.00 0.00 28.75 29.48 2k3v h GLU 7 CO 0.01 -0.28 0.60 0.35 -0.73 0.00 0.00 179.01 178.97 2k3v h PHE 8 N -0.96 0.82 -0.18 0.92 3.57 -1.20 1.51 116.94 121.43 2k3v h PHE 8 Ca -0.04 0.04 -0.22 0.00 3.53 0.00 0.00 57.97 61.28 2k3v h PHE 8 Cb 0.33 -0.20 0.01 0.00 2.79 0.00 0.00 35.95 38.87 2k3v h PHE 8 CO 0.01 -0.31 -0.74 0.45 -2.23 0.00 0.00 178.31 175.50 2k3v h HIS 9 N 0.15 1.07 0.32 0.41 3.86 -1.46 -3.10 115.15 116.39 2k3v h HIS 9 Ca 0.80 -0.46 -0.00 0.00 -1.16 0.00 0.00 60.37 59.55 2k3v h HIS 9 Cb 2.07 -0.17 -0.02 0.00 1.06 0.00 0.00 27.41 30.35 2k3v h HIS 9 CO -0.01 1.29 -0.32 0.28 0.86 0.00 0.00 177.93 180.03 2k3v h VAL 10 N 0.56 0.34 0.00 2.45 2.07 0.31 0.97 116.25 122.95 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 0.34 0.00 0.00 -1.52 0.00 0.00 31.29 31.47 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 -0.66 0.00 -0.59 1.57 4.81 -0.91 1.61 114.58 120.40 2k3v h GLU 11 Ca -0.02 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.21 2k3v h GLU 11 Cb 0.60 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.98 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 -2.86 4.28 0.00 1.92 2.81 0.29 -4.88 117.12 118.68 2k3v n MET 12 Ca -0.02 -3.03 0.00 0.00 -1.81 0.00 0.00 57.70 52.84 2k3v n MET 12 Cb 0.41 -2.08 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 0.78 -1.98 0.00 3.03 0.00 0.51 -5.03 105.19 102.50 2k3v n GLY 13 Ca 0.27 0.65 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 -1.01 0.12 -0.02 0.00 0.12 -4.91 105.19 99.48 2k3v n GLY 14 Ca 0.00 -1.15 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 -2.26 1.44 0.19 0.00 1.02 -1.26 -3.04 120.64 116.73 2k3v n GLU 16 Ca 0.04 -0.55 0.06 0.00 -0.02 0.00 0.00 57.16 56.69 2k3v n GLU 16 Cb 0.34 -1.24 0.32 0.00 -0.02 0.00 0.00 31.44 30.84 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 0.84 0.00 0.00 1.62 -1.24 -1.83 -3.31 115.58 111.67 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 0.33 0.00 -0.18 0.00 0.73 0.00 0.00 38.32 39.20 2k3v h ASN 17 CO 0.02 0.37 -0.59 0.00 -1.29 0.00 0.00 177.43 175.94 2k3v s HIS 19 N 0.00 -0.27 -0.28 0.00 3.76 -1.17 -4.84 115.29 112.48 2k3v s HIS 19 Ca 0.13 0.66 -0.13 0.00 -0.15 0.00 0.00 55.06 55.57 2k3v s HIS 19 Cb 0.15 0.06 -0.04 0.00 1.11 0.00 0.00 32.58 33.86 2k3v s HIS 19 CO -0.07 -0.16 0.27 0.00 -0.85 0.00 0.00 174.74 173.94 2k3v s ALA 20 N 0.60 3.54 -1.61 -1.40 0.00 -1.26 -4.16 121.76 117.47 2k3v s ALA 20 Ca -0.04 -1.01 -0.19 0.00 0.00 0.00 0.00 51.96 50.73 2k3v s ALA 20 Cb -0.05 -2.60 0.17 0.00 0.00 0.00 0.00 23.12 20.64 2k3v s ALA 20 CO -0.03 -0.65 0.62 -0.25 0.00 0.00 0.00 175.76 175.45 2k3v n ASP 21 N 5.19 -2.57 -3.43 0.00 8.00 -1.26 -0.31 116.55 122.17 2k3v n ASP 21 Ca -0.11 -0.93 -0.22 0.00 0.71 0.00 0.00 54.79 54.24 2k3v n ASP 21 Cb 0.51 -2.17 0.06 0.00 -0.02 0.00 0.00 41.12 39.51 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 -1.16 -1.08 2.35 0.44 0.00 -1.26 -4.98 105.19 99.51 2k3v n GLY 22 Ca 0.08 0.52 -0.22 0.00 0.00 0.00 0.00 46.02 46.41 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 -3.64 0.53 -1.69 1.61 2.13 0.58 -5.10 120.64 115.06 2k3v n GLU 23 Ca -0.08 -2.97 -0.63 0.00 0.66 0.00 0.00 57.16 54.14 2k3v n GLU 23 Cb 0.61 -1.40 -0.09 0.00 0.27 0.00 0.00 31.44 30.83 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 2.00 0.46 -1.10 5.31 -0.02 -1.26 -4.39 135.00 136.01 2k3v n PRO 24 Ca 0.22 0.17 -0.35 0.00 -2.02 0.00 0.00 63.50 61.52 2k3v n PRO 24 Cb 0.53 -1.76 0.08 0.00 -0.02 0.00 0.00 33.50 32.33 2k3v n PRO 24 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 2k3v n SER 25 N 5.02 -1.80 -2.11 2.55 2.88 -1.26 -4.90 113.62 113.99 2k3v n SER 25 Ca 0.32 0.49 -0.28 0.00 -1.33 0.00 0.00 58.87 58.06 2k3v n SER 25 Cb 0.02 -1.18 0.06 0.00 -0.75 0.00 0.00 64.21 62.36 2k3v n SER 25 CO 0.00 0.00 0.00 2.29 -1.23 0.00 0.00 175.04 176.10 2k3v n LYS 26 N -0.81 3.04 0.12 -1.46 2.85 -1.26 -4.61 118.16 116.03 2k3v n LYS 26 Ca 0.08 -3.68 0.00 0.00 -1.05 0.00 0.00 58.31 53.67 2k3v n LYS 26 Cb 0.51 -2.25 0.00 0.00 -0.65 0.00 0.00 35.03 32.64 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 -0.84 -0.89 0.00 -5.58 5.75 -1.26 -5.07 116.55 108.66 2k3v n ASP 27 Ca 0.52 0.43 0.00 0.00 -0.01 0.00 0.00 54.79 55.74 2k3v n ASP 27 Cb 0.84 0.99 0.00 0.00 -1.03 0.00 0.00 41.12 41.93 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 0.74 3.01 0.18 6.12 0.00 -1.26 -4.94 105.19 109.04 2k3v n GLY 28 Ca 0.00 -0.83 -0.06 0.00 0.00 0.00 0.00 46.02 45.13 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 0.54 -0.75 4.61 0.00 -1.98 -0.24 119.26 121.44 2k3v h ALA 29 Ca 0.00 0.01 0.16 0.00 0.00 0.00 0.00 54.91 55.09 2k3v h ALA 29 Cb 0.00 -0.07 -0.11 0.00 0.00 0.00 0.00 17.79 17.61 2k3v h ALA 29 CO 0.00 -0.13 0.22 -0.92 0.00 0.00 0.00 179.25 178.42 2k3v h TYR 30 N 0.44 0.36 -0.01 0.00 3.20 -1.99 -0.86 116.97 118.11 2k3v h TYR 30 Ca 0.19 0.04 -0.00 0.00 3.14 0.00 0.00 58.73 62.09 2k3v h TYR 30 Cb 0.08 -0.04 -0.00 0.00 1.54 0.00 0.00 36.73 38.31 2k3v h TYR 30 CO -0.10 -0.05 -0.00 0.93 -1.64 0.00 0.00 178.16 177.30 2k3v h GLU 31 N 0.31 0.02 -1.01 1.82 3.07 -1.68 -2.84 114.58 114.27 2k3v h GLU 31 Ca 0.43 -0.01 0.29 0.00 -0.50 0.00 0.00 59.36 59.57 2k3v h GLU 31 Cb 0.73 -0.00 -0.04 0.00 -0.84 0.00 0.00 28.75 28.59 2k3v h GLU 31 CO -0.49 0.41 0.94 0.35 -1.40 0.00 0.00 179.01 178.82 2k3v h PHE 32 N -0.38 0.00 -0.39 4.33 3.57 0.28 1.02 116.94 125.37 2k3v h PHE 32 Ca 0.00 0.00 -0.09 0.00 3.53 0.00 0.00 57.97 61.41 2k3v h PHE 32 Cb 0.41 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 39.14 2k3v h PHE 32 CO 0.06 0.00 -0.12 0.93 -2.23 0.00 0.00 178.31 176.96 2k3v h GLU 33 N 0.00 0.77 -0.82 1.11 5.08 -1.04 -2.81 114.58 116.86 2k3v h GLU 33 Ca 0.48 -0.30 0.14 0.00 -1.00 0.00 0.00 59.36 58.67 2k3v h GLU 33 Cb 2.35 -0.04 -0.06 0.00 0.50 0.00 0.00 28.75 31.50 2k3v h GLU 33 CO -0.01 0.91 0.54 1.96 -1.00 0.00 0.00 179.01 181.42 2k3v h GLN 34 N 0.57 0.58 -1.96 2.33 1.08 0.10 -0.78 115.11 117.04 2k3v h GLN 34 Ca 0.10 -0.04 -0.37 0.00 -1.45 0.00 0.00 58.65 56.89 2k3v h GLN 34 Cb 0.64 -0.13 -0.13 0.00 -0.05 0.00 0.00 27.48 27.81 2k3v h GLN 34 CO 0.04 0.39 0.13 0.00 -0.95 0.00 0.00 178.83 178.44 2k3v n GLN 36 N 1.36 0.91 0.00 0.00 7.27 -0.30 -4.45 117.38 122.18 2k3v n GLN 36 Ca 0.44 -2.67 0.00 0.00 0.07 0.00 0.00 57.00 54.84 2k3v n GLN 36 Cb 0.67 -1.38 0.00 0.00 2.41 0.00 0.00 30.24 31.94 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 0.69 0.00 0.07 1.69 2.88 -1.26 -4.80 113.62 112.89 2k3v n SER 37 Ca 0.16 0.00 0.08 0.00 -1.33 0.00 0.00 58.87 57.78 2k3v n SER 37 Cb 0.65 0.24 0.37 0.00 -0.75 0.00 0.00 64.21 64.71 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 -1.88 0.00 -1.00 0.00 -0.00 -1.26 -5.17 115.22 105.91 2k3v n HIS 39 Ca 0.02 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.74 2k3v n HIS 39 Cb 0.14 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 30.13 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 4.52 -0.01 3.70 -1.41 0.00 -1.26 -5.04 105.19 105.69 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 5.14 0.40 1.61 0.15 -1.26 -4.41 113.70 111.34 2k3v s SER 41 Ca 0.00 -0.07 0.12 0.00 0.70 0.00 0.00 55.95 56.70 2k3v s SER 41 Cb 0.00 -1.30 0.94 0.00 -1.71 0.00 0.00 66.02 63.95 2k3v s SER 41 CO 0.00 0.22 1.93 -0.07 1.20 0.00 0.00 173.24 176.52 2k3v h LEU 42 N 3.83 0.49 0.00 3.45 3.38 -1.94 1.23 115.31 125.74 2k3v h LEU 42 Ca -0.48 0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.51 2k3v h LEU 42 Cb 1.17 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.84 2k3v h LEU 42 CO 0.60 0.27 0.00 0.00 0.09 0.00 0.00 178.44 179.40 2k3v n ALA 43 N -2.49 1.84 -1.39 1.53 0.00 -1.26 -1.62 120.51 117.12 2k3v n ALA 43 Ca 0.13 -0.07 0.08 0.00 0.00 0.00 0.00 53.44 53.58 2k3v n ALA 43 Cb 0.43 -1.25 0.17 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 -1.32 1.42 -2.44 0.00 0.00 0.42 -4.95 120.64 113.76 2k3v n GLU 44 Ca 0.07 -2.95 -0.07 0.00 0.00 0.00 0.00 57.16 54.20 2k3v n GLU 44 Cb 0.13 -1.53 -0.01 0.00 0.00 0.00 0.00 31.44 30.03 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 -1.23 1.55 -0.49 5.31 2.81 -0.64 -4.74 117.12 119.70 2k3v n MET 45 Ca 0.17 -0.88 -0.17 0.00 -1.81 0.00 0.00 57.70 55.01 2k3v n MET 45 Cb 0.67 0.19 0.16 0.00 -0.71 0.00 0.00 33.22 33.53 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 -1.40 -3.11 -0.21 7.83 5.75 -1.26 -4.53 116.55 119.61 2k3v n ASP 46 Ca -0.04 -0.44 0.03 0.00 -0.01 0.00 0.00 54.79 54.34 2k3v n ASP 46 Cb 0.16 -0.77 0.13 0.00 -1.03 0.00 0.00 41.12 39.61 2k3v n ASP 46 CO 0.00 0.00 0.00 -0.67 -0.11 0.00 0.00 177.20 176.42 2k3v n ASP 47 N -1.56 0.62 -0.09 -1.12 4.64 -1.26 -2.27 116.55 115.52 2k3v n ASP 47 Ca 0.07 -1.91 -0.09 0.00 -1.38 0.00 0.00 54.79 51.48 2k3v n ASP 47 Cb 0.34 -0.07 -0.14 0.00 -1.04 0.00 0.00 41.12 40.21 2k3v n ASP 47 CO 0.00 0.00 0.00 0.59 -0.82 0.00 0.00 177.20 176.97 2k3v n ASN 48 N -0.20 0.81 0.01 1.67 3.02 -1.26 -4.20 115.26 115.11 2k3v n ASN 48 Ca 0.06 -0.01 -0.15 0.00 -0.03 0.00 0.00 54.58 54.45 2k3v n ASN 48 Cb 0.11 0.84 -0.14 0.00 -0.61 0.00 0.00 39.78 39.98 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 0.29 0.34 3.10 3.86 -1.82 -3.38 115.15 117.53 2k3v h HIS 49 Ca -0.47 -0.21 -0.00 0.00 -1.16 0.00 0.00 60.37 58.52 2k3v h HIS 49 Cb 2.05 -0.01 -0.03 0.00 1.06 0.00 0.00 27.41 30.48 2k3v h HIS 49 CO 0.00 1.39 -0.48 -0.22 0.86 0.00 0.00 177.93 179.49 2k3v h LYS 50 N 0.04 -0.82 -0.39 2.45 3.64 -1.31 -0.97 116.57 119.22 2k3v h LYS 50 Ca -0.33 0.06 0.13 0.00 -1.27 0.00 0.00 60.65 59.24 2k3v h LYS 50 Cb 2.02 0.19 -0.07 0.00 -0.41 0.00 0.00 32.23 33.95 2k3v h LYS 50 CO 0.10 -0.54 0.11 -2.30 -2.27 0.00 0.00 179.45 174.55 2k3v n PRO 51 N -5.26 -0.03 -0.05 1.90 -0.02 -1.26 0.81 135.00 131.10 2k3v n PRO 51 Ca -0.10 0.55 -0.01 0.00 -2.02 0.00 0.00 63.50 61.92 2k3v n PRO 51 Cb 0.41 -0.94 -0.00 0.00 -0.02 0.00 0.00 33.50 32.95 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 -1.16 6.00 3.86 -1.59 -3.48 115.15 118.78 2k3v h HIS 52 Ca 0.28 0.00 -0.00 0.00 -1.16 0.00 0.00 60.37 59.49 2k3v h HIS 52 Cb 0.68 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.15 2k3v h HIS 52 CO -0.10 0.00 -0.01 -3.47 0.86 0.00 0.00 177.93 175.21 2k3v n ASP 53 N -4.52 -0.08 -1.07 2.45 2.03 0.24 -3.66 116.55 111.93 2k3v n ASP 53 Ca -0.02 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.30 2k3v n ASP 53 Cb 0.06 -0.02 0.00 0.00 -0.72 0.00 0.00 41.12 40.44 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 0.46 0.42 1.16 0.27 0.00 -1.26 -4.95 105.19 101.30 2k3v n GLY 54 Ca -0.00 -0.39 0.00 0.00 0.00 0.00 0.00 46.02 45.63 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 -0.88 0.00 -3.81 0.99 4.77 -1.24 -5.14 117.00 111.69 2k3v n LEU 55 Ca 0.00 0.00 -0.11 0.00 -0.03 0.00 0.00 56.01 55.87 2k3v n LEU 55 Cb 0.36 0.19 -0.08 0.00 -2.33 0.00 0.00 43.42 41.56 2k3v n LEU 55 CO 0.00 -0.29 -0.06 -1.48 -1.33 0.00 0.00 177.39 174.23 2k3v s LEU 56 N -4.16 1.19 0.75 2.23 0.05 -1.26 -5.16 118.68 112.31 2k3v s LEU 56 Ca 0.00 -0.25 -0.11 0.00 0.05 0.00 0.00 54.13 53.81 2k3v s LEU 56 Cb 0.00 1.07 0.04 0.00 -2.05 0.00 0.00 46.19 45.26 2k3v s LEU 56 CO 0.00 -0.54 1.09 -0.32 -0.55 0.00 0.00 176.35 176.03 2k3v s MET 57 N -2.30 2.48 0.00 1.48 1.75 -1.26 -4.96 119.30 116.49 2k3v s MET 57 Ca -0.07 0.59 0.00 0.00 -1.25 0.00 0.00 55.69 54.96 2k3v s MET 57 Cb -0.02 -1.97 0.00 0.00 2.84 0.00 0.00 34.83 35.68 2k3v s MET 57 CO -0.02 -1.33 0.97 0.00 -0.65 0.00 0.00 175.02 173.99 2k3v h ALA 59 N -1.89 0.32 -1.58 0.00 0.00 -1.95 2.39 119.26 116.55 2k3v h ALA 59 Ca 0.00 0.31 0.48 0.00 0.00 0.00 0.00 54.91 55.69 2k3v h ALA 59 Cb 0.00 0.90 -0.08 0.00 0.00 0.00 0.00 17.79 18.61 2k3v h ALA 59 CO 0.00 -0.54 1.12 -0.25 0.00 0.00 0.00 179.25 179.58 2k3v n ASP 60 N -5.52 0.05 -0.08 0.00 9.92 -1.11 0.18 116.55 119.98 2k3v n ASP 60 Ca 0.12 0.94 -0.14 0.00 -0.53 0.00 0.00 54.79 55.17 2k3v n ASP 60 Cb 0.43 -0.47 -0.07 0.00 -0.64 0.00 0.00 41.12 40.37 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 -3.33 2.44 -1.41 0.00 8.25 0.59 -4.75 115.22 117.00 2k3v n HIS 62 Ca -0.31 -2.23 -0.34 0.00 -0.26 0.00 0.00 57.72 54.59 2k3v n HIS 62 Cb 0.77 -1.30 -0.16 0.00 1.12 0.00 0.00 29.99 30.42 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 0.13 0.50 0.30 -1.41 0.00 0.49 -4.36 120.51 116.15 2k3v n ALA 63 Ca 0.52 -0.40 -0.16 0.00 0.00 0.00 0.00 53.44 53.40 2k3v n ALA 63 Cb 0.35 -2.17 -0.08 0.00 0.00 0.00 0.00 19.45 17.54 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 11.04 -0.72 -3.09 0.00 0.11 -1.88 1.41 132.00 138.87 2k3v h PRO 64 Ca -0.02 0.05 -0.65 0.00 0.11 0.00 0.00 66.00 65.49 2k3v h PRO 64 Cb 1.19 0.16 0.03 0.00 0.11 0.00 0.00 31.00 32.49 2k3v h PRO 64 CO 1.37 -0.43 3.72 0.72 -0.21 0.00 0.00 178.00 183.17 2k3v n HIS 65 N -5.36 2.38 0.00 0.65 8.25 -1.26 -3.44 115.22 116.43 2k3v n HIS 65 Ca -0.12 -2.99 0.00 0.00 -0.26 0.00 0.00 57.72 54.35 2k3v n HIS 65 Cb 0.33 -2.43 0.00 0.00 1.12 0.00 0.00 29.99 29.01 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 3.77 0.00 -1.00 -0.41 2.13 -1.20 -5.13 120.64 118.80 2k3v n GLU 66 Ca 0.74 0.00 -0.29 0.00 0.66 0.00 0.00 57.16 58.28 2k3v n GLU 66 Cb 0.23 0.00 0.21 0.00 0.27 0.00 0.00 31.44 32.15 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 0.48 -0.02 4.31 0.00 0.48 -4.96 121.76 122.05 2k3v s ALA 67 Ca 0.00 -0.44 0.01 0.00 0.00 0.00 0.00 51.96 51.53 2k3v s ALA 67 Cb 0.00 -3.10 0.01 0.00 0.00 0.00 0.00 23.12 20.03 2k3v s ALA 67 CO 0.00 -3.26 -0.03 -1.59 0.00 0.00 0.00 175.76 170.87 2k3v s LYS 68 N -4.93 0.45 0.01 0.00 -2.85 -1.26 -3.08 119.74 108.08 2k3v s LYS 68 Ca 0.67 -0.10 -0.34 0.00 -1.00 0.00 0.00 55.97 55.21 2k3v s LYS 68 Cb -0.19 -0.49 -0.17 0.00 -2.06 0.00 0.00 37.83 34.92 2k3v s LYS 68 CO 0.59 0.01 0.89 0.28 0.10 0.00 0.00 175.35 177.22 2k3v n VAL 69 N 3.47 0.07 -1.92 1.79 0.31 -1.06 -1.83 118.33 119.16 2k3v n VAL 69 Ca -0.19 -0.02 0.00 0.00 -0.01 0.00 0.00 64.34 64.12 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 1.30 0.90 3.27 2.92 0.00 -1.26 -4.87 105.19 107.45 2k3v n GLY 70 Ca 0.17 -0.59 -0.32 0.00 0.00 0.00 0.00 46.02 45.28 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 -3.88 3.07 -0.40 1.61 2.56 -0.76 -5.09 118.70 115.80 2k3v s GLU 71 Ca 0.00 -0.83 -0.08 0.00 0.00 0.00 0.00 54.97 54.06 2k3v s GLU 71 Cb 0.00 -2.37 0.07 0.00 2.00 0.00 0.00 34.13 33.84 2k3v s GLU 71 CO 0.00 0.22 0.22 -1.59 -0.56 0.00 0.00 175.26 173.55 2k3v s LYS 72 N 0.26 2.53 0.80 4.30 -2.85 -1.26 -4.98 119.74 118.54 2k3v s LYS 72 Ca -0.15 -1.45 -0.16 0.00 -1.00 0.00 0.00 55.97 53.22 2k3v s LYS 72 Cb -0.17 -3.68 -0.06 0.00 -2.06 0.00 0.00 37.83 31.86 2k3v s LYS 72 CO 0.07 -0.91 0.14 -2.30 0.10 0.00 0.00 175.35 172.46 2k3v n PRO 73 N 4.85 0.07 -4.38 1.78 -0.02 -1.26 -4.97 135.00 131.08 2k3v n PRO 73 Ca -0.10 0.05 -0.34 0.00 -2.02 0.00 0.00 63.50 61.10 2k3v n PRO 73 Cb 0.43 -1.55 -0.12 0.00 -0.02 0.00 0.00 33.50 32.24 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 -2.04 3.96 0.13 3.45 -4.23 -1.26 -4.94 115.64 110.71 2k3v s THR 74 Ca 0.57 -0.34 -0.13 0.00 -1.18 0.00 0.00 61.69 60.62 2k3v s THR 74 Cb -0.31 -2.73 -0.03 0.00 1.34 0.00 0.00 72.50 70.77 2k3v s THR 74 CO 0.66 0.50 1.52 0.00 -0.54 0.00 0.00 174.62 176.76 2k3v h ASP 76 N 0.65 0.00 -0.58 0.00 3.58 -1.65 2.53 116.42 120.95 2k3v h ASP 76 Ca 0.09 0.00 -0.01 0.00 0.42 0.00 0.00 57.03 57.53 2k3v h ASP 76 Cb 0.72 0.00 -0.03 0.00 1.72 0.00 0.00 39.33 41.75 2k3v h ASP 76 CO 0.05 0.00 0.32 0.74 -2.88 0.00 0.00 179.24 177.47 2k3v h THR 77 N 0.00 1.19 0.00 2.25 2.02 -1.83 -3.31 112.91 113.23 2k3v h THR 77 Ca 0.60 -0.47 -0.22 0.00 0.77 0.00 0.00 66.41 67.09 2k3v h THR 77 Cb 2.92 0.45 -0.03 0.00 -1.74 0.00 0.00 68.15 69.74 2k3v h THR 77 CO -0.01 0.20 -1.62 0.00 0.37 0.00 0.00 175.52 174.47 2k3v s HIS 79 N -2.42 3.24 -0.29 0.00 3.76 0.71 -4.86 115.29 115.43 2k3v s HIS 79 Ca -0.24 -1.40 0.01 0.00 -0.15 0.00 0.00 55.06 53.28 2k3v s HIS 79 Cb 0.08 -4.08 0.32 0.00 1.11 0.00 0.00 32.58 30.01 2k3v s HIS 79 CO 0.31 -1.30 1.71 -0.40 -0.85 0.00 0.00 174.74 174.22 2k3v n ASP 80 N 5.82 4.73 -1.11 1.40 5.75 -1.24 -2.75 116.55 129.14 2k3v n ASP 80 Ca 0.10 -2.99 0.08 0.00 -0.01 0.00 0.00 54.79 51.97 2k3v n ASP 80 Cb 0.46 -0.83 0.28 0.00 -1.03 0.00 0.00 41.12 40.00 2k3v n ASP 80 CO 0.00 0.00 0.00 -0.90 -0.11 0.00 0.00 177.20 176.19 2k3v n ASP 81 N -0.16 4.21 0.00 -1.12 5.68 -1.26 -4.90 116.55 119.00 2k3v n ASP 81 Ca 0.33 -2.84 0.00 0.00 -0.50 0.00 0.00 54.79 51.79 2k3v n ASP 81 Cb 0.91 -0.54 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 -0.04 2.74 2.64 6.12 0.00 -1.25 -5.00 105.19 110.40 2k3v n GLY 82 Ca 0.22 0.00 -0.45 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 -4.24 1.61 3.00 -1.25 -4.93 116.66 108.84 2k3v n ARG 83 Ca 0.00 0.00 -0.16 0.00 -0.00 0.00 0.00 57.85 57.69 2k3v n ARG 83 Cb 0.00 -1.12 -0.11 0.00 0.00 0.00 0.00 32.46 31.23 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 0.26 1.23 0.92 5.15 -4.23 -1.26 -4.02 115.64 113.70 2k3v s THR 84 Ca 0.69 -1.85 -0.11 0.00 -1.18 0.00 0.00 61.69 59.25 2k3v s THR 84 Cb -0.97 -1.64 0.13 0.00 1.34 0.00 0.00 72.50 71.36 2k3v s THR 84 CO 0.45 -0.56 1.05 0.00 -0.54 0.00 0.00 174.62 175.02 2k3v n ALA 85 N 0.24 -1.01 -0.27 3.99 0.00 -1.26 -5.03 120.51 117.17 2k3v n ALA 85 Ca -0.13 -0.55 0.00 0.00 0.00 0.00 0.00 53.44 52.76 2k3v n ALA 85 Cb 0.59 -2.15 0.00 0.00 0.00 0.00 0.00 19.45 17.89 2k3v n ALA 85 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13