#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1vke s ARG 20 N 0.00 2.09 1.08 4.33 0.52 -1.26 -5.08 118.95 120.63 1vke s ARG 20 Ca 0.00 -0.87 0.00 0.00 -0.52 0.00 0.00 55.73 54.34 1vke s ARG 20 Cb 0.00 -2.45 0.00 0.00 0.52 0.00 0.00 34.95 33.02 1vke s ARG 20 CO 0.00 -0.42 0.00 0.41 0.02 0.00 0.00 175.30 175.31 1vke n GLY 21 N 4.67 -1.82 3.64 -3.53 0.00 -1.26 -4.98 105.19 101.91 1vke n GLY 21 Ca -0.15 -1.54 -0.29 0.00 0.00 0.00 0.00 46.02 44.03 1vke n GLY 21 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1vke s THR 22 N 0.00 0.84 0.42 2.61 -4.23 -1.26 -4.99 115.64 109.03 1vke s THR 22 Ca 0.00 -2.00 0.09 0.00 -1.18 0.00 0.00 61.69 58.60 1vke s THR 22 Cb 0.00 -2.24 0.29 0.00 1.34 0.00 0.00 72.50 71.89 1vke s THR 22 CO 0.00 0.00 2.04 -0.07 -0.54 0.00 0.00 174.62 176.05 1vke h LEU 23 N 1.56 0.43 -0.78 4.79 3.38 -2.00 -1.74 115.31 120.95 1vke h LEU 23 Ca -0.39 -0.01 -0.09 0.00 0.09 0.00 0.00 57.88 57.48 1vke h LEU 23 Cb 1.30 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 41.93 1vke h LEU 23 CO 0.65 0.29 -0.03 0.78 0.09 0.00 0.00 178.44 180.21 1vke h ASN 24 N 0.49 0.87 -0.42 -0.43 2.35 -1.99 -1.17 115.58 115.29 1vke h ASN 24 Ca 0.19 -0.24 -0.00 0.00 -0.55 0.00 0.00 56.30 55.69 1vke h ASN 24 Cb 0.13 -0.23 -0.02 0.00 0.05 0.00 0.00 38.32 38.25 1vke h ASN 24 CO -0.05 0.95 0.25 0.74 -1.65 0.00 0.00 177.43 177.67 1vke h THR 25 N 0.82 1.14 -0.60 2.81 2.02 -1.72 -1.06 112.91 116.32 1vke h THR 25 Ca 0.15 -0.34 -0.03 0.00 0.77 0.00 0.00 66.41 66.96 1vke h THR 25 Cb 0.54 0.61 -0.03 0.00 -1.74 0.00 0.00 68.15 67.53 1vke h THR 25 CO 0.03 0.14 0.27 0.50 0.37 0.00 0.00 175.52 176.83 1vke h LYS 26 N 0.55 0.87 -0.43 6.66 3.64 -1.16 -1.43 116.57 125.27 1vke h LYS 26 Ca 0.15 -0.14 -0.07 0.00 -1.27 0.00 0.00 60.65 59.32 1vke h LYS 26 Cb 0.02 -0.15 -0.02 0.00 -0.41 0.00 0.00 32.23 31.67 1vke h LYS 26 CO -0.03 0.72 -0.02 0.00 -2.27 0.00 0.00 179.45 177.85 1vke h ARG 27 N 0.82 0.71 -0.29 1.90 3.08 -0.95 -1.55 114.38 118.09 1vke h ARG 27 Ca 0.20 -0.19 -0.07 0.00 0.07 0.00 0.00 59.98 60.00 1vke h ARG 27 Cb 0.15 -0.08 -0.01 0.00 0.08 0.00 0.00 29.97 30.11 1vke h ARG 27 CO -0.02 0.74 -0.08 0.35 -1.07 0.00 0.00 179.97 179.89 1vke h PHE 28 N 0.66 0.65 -0.85 3.04 3.04 -0.77 -1.44 116.94 121.27 1vke h PHE 28 Ca 0.13 -0.14 0.06 0.00 3.98 0.00 0.00 57.97 62.00 1vke h PHE 28 Cb 0.44 -0.16 -0.06 0.00 2.56 0.00 0.00 35.95 38.74 1vke h PHE 28 CO 0.02 0.77 0.52 0.74 -2.02 0.00 0.00 178.31 178.35 1vke h PHE 29 N 0.33 0.97 -0.92 0.41 -1.00 -1.07 -0.87 116.94 114.79 1vke h PHE 29 Ca 0.07 0.03 -0.00 0.00 2.81 0.00 0.00 57.97 60.88 1vke h PHE 29 Cb 0.57 -0.31 -0.04 0.00 3.61 0.00 0.00 35.95 39.78 1vke h PHE 29 CO 0.05 0.49 0.56 -0.91 -1.61 0.00 0.00 178.31 176.89 1vke h ASN 30 N 0.95 1.10 -0.43 2.17 2.35 -1.06 -2.32 115.58 118.35 1vke h ASN 30 Ca 0.37 -0.06 -0.12 0.00 -0.55 0.00 0.00 56.30 55.94 1vke h ASN 30 Cb 0.18 -0.28 -0.01 0.00 0.05 0.00 0.00 38.32 38.26 1vke h ASN 30 CO -0.18 0.84 -0.20 0.25 -1.65 0.00 0.00 177.43 176.50 1vke h LEU 31 N 1.27 0.95 -0.80 1.61 5.85 -0.62 -0.68 115.31 122.89 1vke h LEU 31 Ca 0.33 -0.34 0.03 0.00 0.84 0.00 0.00 57.88 58.74 1vke h LEU 31 Cb -0.06 -0.26 -0.05 0.00 0.37 0.00 0.00 40.66 40.66 1vke h LEU 31 CO -0.06 1.11 0.51 -0.78 -0.34 0.00 0.00 178.44 178.88 1vke h ASP 32 N 0.81 0.84 -0.49 1.25 3.58 -0.87 -1.54 116.42 120.00 1vke h ASP 32 Ca 0.11 -0.00 -0.05 0.00 0.42 0.00 0.00 57.03 57.51 1vke h ASP 32 Cb 0.75 -0.18 -0.02 0.00 1.72 0.00 0.00 39.33 41.60 1vke h ASP 32 CO 0.06 0.57 0.13 0.28 -2.88 0.00 0.00 179.24 177.40 1vke h SER 33 N 0.99 0.75 -0.36 2.28 0.02 -1.09 -3.30 113.55 112.84 1vke h SER 33 Ca 0.32 -0.23 -0.05 0.00 -0.84 0.00 0.00 61.79 60.99 1vke h SER 33 Cb 0.02 -0.20 -0.02 0.00 0.14 0.00 0.00 62.40 62.34 1vke h SER 33 CO -0.12 0.78 0.07 0.00 -1.14 0.00 0.00 176.83 176.42 1vke h ALA 34 N 0.99 1.30 0.00 3.77 0.00 -0.48 -2.78 119.26 122.06 1vke h ALA 34 Ca 0.16 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1vke h ALA 34 Cb 0.32 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.93 1vke h ALA 34 CO 0.00 0.49 0.00 1.33 0.00 0.00 0.00 179.25 181.07 1vke n VAL 35 N -4.28 0.81 1.19 0.00 0.24 -0.64 -1.82 118.33 113.83 1vke n VAL 35 Ca 0.03 0.17 0.13 0.00 -2.04 0.00 0.00 64.34 62.62 1vke n VAL 35 Cb 0.23 -1.04 0.26 0.00 -1.47 0.00 0.00 33.84 31.82 1vke n VAL 35 CO 0.00 0.00 0.00 -1.22 -2.14 0.00 0.00 176.83 173.47 1vke n TYR 36 N -2.05 0.00 -2.59 6.34 4.01 -1.05 -4.94 117.16 116.88 1vke n TYR 36 Ca 0.03 0.00 -0.35 0.00 -0.16 0.00 0.00 57.90 57.42 1vke n TYR 36 Cb 0.24 -0.01 -0.04 0.00 -0.31 0.00 0.00 39.34 39.22 1vke n TYR 36 CO 0.00 0.00 0.00 1.03 -0.46 0.00 0.00 176.86 177.43 1vke s ARG 37 N -2.12 3.99 0.49 -0.72 0.52 -0.76 -4.77 118.95 115.58 1vke s ARG 37 Ca 0.30 1.37 -0.22 0.00 -0.52 0.00 0.00 55.73 56.66 1vke s ARG 37 Cb 0.20 -2.25 -0.07 0.00 0.52 0.00 0.00 34.95 33.35 1vke s ARG 37 CO 0.37 -0.27 1.14 -1.25 0.02 0.00 0.00 175.30 175.32 1vke s PRO 38 N -2.99 3.61 0.00 3.54 0.04 -1.26 -4.92 135.00 133.02 1vke s PRO 38 Ca 0.63 1.69 0.00 0.00 0.04 0.00 0.00 61.00 63.37 1vke s PRO 38 Cb -0.17 -2.24 0.00 0.00 0.04 0.00 0.00 34.50 32.13 1vke s PRO 38 CO 0.21 -0.65 0.00 0.41 0.04 0.00 0.00 177.00 177.01 1vke n GLY 39 N 0.31 4.76 0.23 0.56 0.00 -1.26 -4.96 105.19 104.83 1vke n GLY 39 Ca 0.09 -0.63 0.07 0.00 0.00 0.00 0.00 46.02 45.55 1vke n GLY 39 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1vke h LYS 40 N 0.00 0.00 -5.86 1.61 1.79 -2.05 -3.40 116.57 108.66 1vke h LYS 40 Ca 0.00 0.00 -0.59 0.00 -2.18 0.00 0.00 60.65 57.88 1vke h LYS 40 Cb 0.00 0.00 -0.07 0.00 -1.58 0.00 0.00 32.23 30.58 1vke h LYS 40 CO 0.00 0.18 -0.18 -0.51 -1.08 0.00 0.00 179.45 177.86 1vke s LEU 41 N -8.18 4.38 0.81 2.94 1.43 -1.26 -5.08 118.68 113.71 1vke s LEU 41 Ca -0.04 0.88 -0.12 0.00 -1.03 0.00 0.00 54.13 53.83 1vke s LEU 41 Cb 0.15 -2.63 0.08 0.00 0.03 0.00 0.00 46.19 43.82 1vke s LEU 41 CO 0.66 0.17 1.10 1.51 0.23 0.00 0.00 176.35 180.03 1vke s ASP 42 N -0.25 4.39 0.27 2.29 1.47 -1.26 -4.54 116.67 119.03 1vke s ASP 42 Ca 0.24 1.24 -0.03 0.00 1.18 0.00 0.00 52.55 55.18 1vke s ASP 42 Cb -0.16 -1.95 0.35 0.00 -0.34 0.00 0.00 42.92 40.82 1vke s ASP 42 CO 0.11 -2.03 1.86 1.62 0.68 0.00 0.00 175.17 177.41 1vke h VAL 43 N -1.13 1.23 -0.55 2.11 3.04 -1.91 -1.39 116.25 117.65 1vke h VAL 43 Ca -0.47 -0.69 -0.01 0.00 -1.01 0.00 0.00 66.70 64.52 1vke h VAL 43 Cb 1.28 0.37 -0.03 0.00 -2.01 0.00 0.00 31.29 30.90 1vke h VAL 43 CO 0.60 0.28 0.31 0.50 -1.01 0.00 0.00 177.57 178.25 1vke h LYS 44 N 0.99 0.76 -0.22 4.17 3.64 -1.93 0.21 116.57 124.19 1vke h LYS 44 Ca 0.24 -0.09 -0.00 0.00 -1.27 0.00 0.00 60.65 59.53 1vke h LYS 44 Cb 0.15 -0.15 -0.01 0.00 -0.41 0.00 0.00 32.23 31.81 1vke h LYS 44 CO -0.03 0.58 0.13 1.15 -2.27 0.00 0.00 179.45 179.02 1vke h THR 45 N 0.74 1.09 -0.56 1.00 2.02 -1.84 -0.30 112.91 115.06 1vke h THR 45 Ca 0.19 -0.23 -0.04 0.00 0.77 0.00 0.00 66.41 67.10 1vke h THR 45 Cb 0.04 0.84 -0.03 0.00 -1.74 0.00 0.00 68.15 67.27 1vke h THR 45 CO -0.03 0.09 0.18 0.11 0.37 0.00 0.00 175.52 176.23 1vke h LYS 46 N 0.27 0.83 -0.07 6.66 1.57 -0.94 0.30 116.57 125.20 1vke h LYS 46 Ca 0.08 -0.15 -0.16 0.00 -1.87 0.00 0.00 60.65 58.54 1vke h LYS 46 Cb 0.03 -0.14 -0.01 0.00 0.08 0.00 0.00 32.23 32.19 1vke h LYS 46 CO -0.01 0.72 -0.68 0.93 -0.57 0.00 0.00 179.45 179.84 1vke h GLU 47 N 0.81 0.29 -0.75 3.15 4.39 -0.69 0.12 114.58 121.89 1vke h GLU 47 Ca 0.19 -0.22 -0.04 0.00 0.34 0.00 0.00 59.36 59.63 1vke h GLU 47 Cb 0.24 0.04 -0.03 0.00 -0.10 0.00 0.00 28.75 28.89 1vke h GLU 47 CO -0.01 0.86 0.33 -0.07 -1.16 0.00 0.00 179.01 178.96 1vke h LEU 48 N 0.20 1.00 -0.56 1.33 3.38 -0.74 0.74 115.31 120.66 1vke h LEU 48 Ca -0.02 -0.13 -0.07 0.00 0.09 0.00 0.00 57.88 57.75 1vke h LEU 48 Cb 1.22 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 41.69 1vke h LEU 48 CO 0.11 0.87 0.06 0.24 0.09 0.00 0.00 178.44 179.81 1vke h MET 49 N 1.08 0.95 -0.98 1.13 2.86 -0.45 -0.45 114.93 119.07 1vke h MET 49 Ca 0.26 -0.27 0.04 0.00 -2.06 0.00 0.00 59.70 57.67 1vke h MET 49 Cb 0.16 -0.10 -0.06 0.00 0.06 0.00 0.00 31.60 31.66 1vke h MET 49 CO -0.03 0.92 0.64 0.78 1.06 0.00 0.00 176.91 180.29 1vke h GLY 50 N 0.84 1.44 1.00 8.32 0.00 -0.56 -0.68 103.07 113.42 1vke h GLY 50 Ca 0.17 -0.49 0.00 0.00 0.00 0.00 0.00 47.33 47.01 1vke h GLY 50 CO 0.02 0.41 0.15 -2.00 0.00 0.00 0.00 176.54 175.12 1vke h LEU 51 N 1.24 0.26 -0.21 3.11 5.85 -0.36 -0.42 115.31 124.78 1vke h LEU 51 Ca 0.39 -0.01 -0.00 0.00 0.84 0.00 0.00 57.88 59.10 1vke h LEU 51 Cb 0.02 -0.07 -0.01 0.00 0.37 0.00 0.00 40.66 40.97 1vke h LEU 51 CO -0.12 0.19 0.12 0.58 -0.34 0.00 0.00 178.44 178.87 1vke h VAL 52 N 0.31 1.09 -0.61 1.05 2.07 -0.65 -0.72 116.25 118.78 1vke h VAL 52 Ca 0.08 -0.21 -0.05 0.00 0.82 0.00 0.00 66.70 67.34 1vke h VAL 52 Cb -0.03 0.85 -0.03 0.00 -1.52 0.00 0.00 31.29 30.56 1vke h VAL 52 CO -0.02 0.08 0.19 0.00 0.02 0.00 0.00 177.57 177.85 1vke h ALA 53 N 1.03 0.80 -0.30 1.67 0.00 -1.03 -1.32 119.26 120.12 1vke h ALA 53 Ca 0.07 -0.20 -0.07 0.00 0.00 0.00 0.00 54.91 54.71 1vke h ALA 53 Cb 0.03 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.56 1vke h ALA 53 CO -0.01 0.47 -0.10 0.77 0.00 0.00 0.00 179.25 180.38 1vke h SER 54 N 0.88 0.48 -0.01 0.00 0.02 -0.87 -2.07 113.55 111.97 1vke h SER 54 Ca 0.20 -0.11 -0.05 0.00 -0.84 0.00 0.00 61.79 60.98 1vke h SER 54 Cb 0.29 -0.13 0.00 0.00 0.14 0.00 0.00 62.40 62.71 1vke h SER 54 CO -0.01 0.62 -0.19 0.74 -1.14 0.00 0.00 176.83 176.85 1vke h THR 55 N 0.46 1.53 0.00 -2.27 2.02 -0.81 -1.44 112.91 112.41 1vke h THR 55 Ca 0.09 -1.83 -0.04 0.00 0.77 0.00 0.00 66.41 65.40 1vke h THR 55 Cb 0.45 2.68 -0.01 0.00 -1.74 0.00 0.00 68.15 69.54 1vke h THR 55 CO 0.02 0.50 -0.18 -0.37 0.37 0.00 0.00 175.52 175.86 1vke h VAL 56 N -0.51 1.05 -0.01 3.16 -1.51 -1.21 -1.11 116.25 116.11 1vke h VAL 56 Ca -0.02 -0.63 0.00 0.00 -1.23 0.00 0.00 66.70 64.82 1vke h VAL 56 Cb 0.91 1.35 0.00 0.00 -2.13 0.00 0.00 31.29 31.42 1vke h VAL 56 CO 0.04 0.18 -0.17 0.18 -1.23 0.00 0.00 177.57 176.57 1vke n LEU 57 N -4.20 0.96 -3.39 4.19 4.77 -0.78 -4.89 117.00 113.65 1vke n LEU 57 Ca -0.02 -0.24 -0.17 0.00 -0.03 0.00 0.00 56.01 55.55 1vke n LEU 57 Cb 0.25 -0.11 0.08 0.00 -2.33 0.00 0.00 43.42 41.31 1vke n LEU 57 CO 0.35 0.17 0.07 0.54 -1.33 0.00 0.00 177.39 177.20 1vke n ARG 58 N -0.57 -4.93 -3.87 3.23 1.74 -0.42 -4.99 116.66 106.84 1vke n ARG 58 Ca 0.14 0.84 -0.35 0.00 -0.77 0.00 0.00 57.85 57.71 1vke n ARG 58 Cb 0.33 -5.79 -0.13 0.00 -1.02 0.00 0.00 32.46 25.84 1vke n ARG 58 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1vke h ASP 60 N 7.96 0.79 -0.33 0.00 3.32 -1.94 -0.68 116.42 125.53 1vke h ASP 60 Ca -0.15 -0.13 -0.05 0.00 0.02 0.00 0.00 57.03 56.73 1vke h ASP 60 Cb 1.05 -0.20 -0.02 0.00 0.22 0.00 0.00 39.33 40.37 1vke h ASP 60 CO 0.60 0.70 0.06 0.44 -1.72 0.00 0.00 179.24 179.32 1vke h ASP 61 N 0.83 0.59 -0.26 6.45 3.32 -1.98 -1.11 116.42 124.26 1vke h ASP 61 Ca 0.21 -0.10 -0.10 0.00 0.02 0.00 0.00 57.03 57.05 1vke h ASP 61 Cb 0.11 -0.15 -0.00 0.00 0.22 0.00 0.00 39.33 39.50 1vke h ASP 61 CO -0.03 0.62 -0.24 0.00 -1.72 0.00 0.00 179.24 177.87 1vke h ILE 63 N 0.35 0.89 -0.70 0.00 2.04 -0.89 -1.32 117.51 117.88 1vke h ILE 63 Ca 0.04 -0.01 0.01 0.00 1.00 0.00 0.00 64.86 65.91 1vke h ILE 63 Cb 0.80 0.86 -0.04 0.00 -0.74 0.00 0.00 36.82 37.70 1vke h ILE 63 CO 0.06 0.00 0.46 0.03 0.00 0.00 0.00 178.15 178.71 1vke h ARG 64 N 0.03 0.92 0.22 2.37 3.08 -1.10 0.75 114.38 120.65 1vke h ARG 64 Ca 0.06 -0.06 -0.00 0.00 0.07 0.00 0.00 59.98 60.05 1vke h ARG 64 Cb 0.09 -0.21 -0.01 0.00 0.08 0.00 0.00 29.97 29.92 1vke h ARG 64 CO -0.12 0.61 -0.15 -0.92 -1.07 0.00 0.00 179.97 178.31 1vke h TYR 65 N 0.94 -0.39 0.00 3.04 3.20 -1.01 -1.86 116.97 120.89 1vke h TYR 65 Ca 0.26 -0.00 -0.10 0.00 3.14 0.00 0.00 58.73 62.03 1vke h TYR 65 Cb -0.10 0.14 -0.01 0.00 1.54 0.00 0.00 36.73 38.30 1vke h TYR 65 CO -0.03 -0.24 -0.47 0.45 -1.64 0.00 0.00 178.16 176.24 1vke h HIS 66 N -0.37 0.00 -0.07 -3.82 3.86 -1.00 -1.42 115.15 112.32 1vke h HIS 66 Ca -0.02 0.00 -0.00 0.00 -1.16 0.00 0.00 60.37 59.19 1vke h HIS 66 Cb 0.32 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 28.78 1vke h HIS 66 CO -0.10 0.47 0.04 -0.07 0.86 0.00 0.00 177.93 179.13 1vke h LEU 67 N 0.00 0.09 -0.30 2.43 3.38 -0.69 0.15 115.31 120.37 1vke h LEU 67 Ca -0.00 -0.06 0.07 0.00 0.09 0.00 0.00 57.88 57.97 1vke h LEU 67 Cb 0.84 -0.02 -0.07 0.00 0.09 0.00 0.00 40.66 41.50 1vke h LEU 67 CO 0.06 0.13 -0.16 0.58 0.09 0.00 0.00 178.44 179.14 1vke h VAL 68 N 0.04 0.53 -1.01 1.22 2.07 -1.06 -1.23 116.25 116.81 1vke h VAL 68 Ca 0.03 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.57 1vke h VAL 68 Cb 0.06 0.53 -0.05 0.00 -1.52 0.00 0.00 31.29 30.30 1vke h VAL 68 CO -0.00 0.00 0.67 0.03 0.02 0.00 0.00 177.57 178.28 1vke h ARG 69 N -0.12 1.28 -0.47 1.57 2.47 -0.91 0.36 114.38 118.56 1vke h ARG 69 Ca 0.16 -0.08 -0.01 0.00 -1.26 0.00 0.00 59.98 58.79 1vke h ARG 69 Cb 0.35 -0.29 -0.02 0.00 -1.65 0.00 0.00 29.97 28.36 1vke h ARG 69 CO -0.37 0.85 0.28 0.00 0.56 0.00 0.00 179.97 181.28 1vke h VAL 71 N 0.63 1.20 -0.98 0.00 2.07 -0.82 -1.34 116.25 117.01 1vke h VAL 71 Ca 0.17 -0.64 0.12 0.00 0.82 0.00 0.00 66.70 67.16 1vke h VAL 71 Cb 0.02 1.27 -0.08 0.00 -1.52 0.00 0.00 31.29 30.98 1vke h VAL 71 CO -0.03 0.20 0.62 1.56 0.02 0.00 0.00 177.57 179.94 1vke h GLN 72 N 0.12 0.94 -0.34 1.57 4.20 -0.58 -1.59 115.11 119.43 1vke h GLN 72 Ca 0.06 -0.06 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1vke h GLN 72 Cb 0.26 -0.21 0.00 0.00 0.30 0.00 0.00 27.48 27.83 1vke h GLN 72 CO 0.00 0.62 0.00 0.39 -0.67 0.00 0.00 178.83 179.17 1vke n GLU 73 N -4.59 1.63 -0.95 1.46 -0.58 -0.06 -4.92 120.64 112.62 1vke n GLU 73 Ca 0.18 -0.83 0.00 0.00 -0.42 0.00 0.00 57.16 56.09 1vke n GLU 73 Cb 0.35 -1.27 0.00 0.00 -0.57 0.00 0.00 31.44 29.95 1vke n GLU 73 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1vke n GLY 74 N 0.74 0.42 3.77 0.62 0.00 -0.60 -4.78 105.19 105.36 1vke n GLY 74 Ca 0.08 -0.94 -0.40 0.00 0.00 0.00 0.00 46.02 44.75 1vke n GLY 74 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1vke s ALA 75 N -2.00 3.36 0.57 4.61 0.00 -0.53 -5.02 121.76 122.76 1vke s ALA 75 Ca 0.00 1.39 -0.07 0.00 0.00 0.00 0.00 51.96 53.27 1vke s ALA 75 Cb 0.00 -3.54 -0.01 0.00 0.00 0.00 0.00 23.12 19.56 1vke s ALA 75 CO 0.00 -0.96 0.91 -1.54 0.00 0.00 0.00 175.76 174.17 1vke s SER 76 N -0.49 5.91 0.28 0.00 1.04 -1.26 -4.68 113.70 114.50 1vke s SER 76 Ca 0.56 0.95 -0.01 0.00 0.48 0.00 0.00 55.95 57.93 1vke s SER 76 Cb -0.42 -2.05 0.45 0.00 0.10 0.00 0.00 66.02 64.11 1vke s SER 76 CO 0.55 -0.90 1.90 0.44 0.98 0.00 0.00 173.24 176.21 1vke h ASP 77 N -0.12 0.99 -0.61 7.02 3.32 -1.99 -1.33 116.42 123.71 1vke h ASP 77 Ca -0.46 0.00 -0.06 0.00 0.02 0.00 0.00 57.03 56.53 1vke h ASP 77 Cb 1.23 -0.21 -0.02 0.00 0.22 0.00 0.00 39.33 40.54 1vke h ASP 77 CO 0.62 0.64 0.13 -0.08 -1.72 0.00 0.00 179.24 178.83 1vke h GLU 78 N 1.13 0.99 -0.55 3.56 4.57 -1.99 0.18 114.58 122.47 1vke h GLU 78 Ca 0.41 -0.25 0.02 0.00 -1.18 0.00 0.00 59.36 58.36 1vke h GLU 78 Cb 0.15 -0.13 -0.03 0.00 -0.16 0.00 0.00 28.75 28.58 1vke h GLU 78 CO -0.15 0.91 0.34 0.93 -1.18 0.00 0.00 179.01 179.86 1vke h GLU 79 N 0.90 0.66 -0.43 1.92 5.08 -1.82 -0.92 114.58 119.98 1vke h GLU 79 Ca 0.19 -0.04 -0.04 0.00 -1.00 0.00 0.00 59.36 58.47 1vke h GLU 79 Cb 0.38 -0.15 -0.02 0.00 0.50 0.00 0.00 28.75 29.46 1vke h GLU 79 CO 0.01 0.44 0.12 0.82 -1.00 0.00 0.00 179.01 179.39 1vke h ILE 80 N 0.68 1.23 -0.73 3.13 2.04 -0.81 -1.88 117.51 121.16 1vke h ILE 80 Ca 0.21 -0.77 0.00 0.00 1.00 0.00 0.00 64.86 65.31 1vke h ILE 80 Cb -0.01 0.91 -0.04 0.00 -0.74 0.00 0.00 36.82 36.94 1vke h ILE 80 CO -0.08 0.27 0.46 -0.26 0.00 0.00 0.00 178.15 178.55 1vke h PHE 81 N 0.56 0.95 -0.47 1.37 0.04 -0.40 0.07 116.94 119.05 1vke h PHE 81 Ca 0.14 0.01 -0.08 0.00 2.80 0.00 0.00 57.97 60.84 1vke h PHE 81 Cb 0.29 -0.32 -0.02 0.00 2.20 0.00 0.00 35.95 38.11 1vke h PHE 81 CO 0.02 0.62 -0.03 0.93 -0.60 0.00 0.00 178.31 179.24 1vke h GLU 82 N 1.00 0.80 -0.26 1.51 5.08 -0.99 0.14 114.58 121.86 1vke h GLU 82 Ca 0.27 -0.23 -0.02 0.00 -1.00 0.00 0.00 59.36 58.37 1vke h GLU 82 Cb -0.07 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.08 1vke h GLU 82 CO -0.05 0.83 0.08 0.00 -1.00 0.00 0.00 179.01 178.86 1vke h ALA 83 N 1.22 0.35 -0.79 3.43 0.00 -0.98 -2.96 119.26 119.53 1vke h ALA 83 Ca 0.14 -0.15 0.02 0.00 0.00 0.00 0.00 54.91 54.92 1vke h ALA 83 Cb 0.49 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 18.14 1vke h ALA 83 CO 0.02 -0.02 0.53 -0.07 0.00 0.00 0.00 179.25 179.71 1vke h LEU 84 N 0.26 0.89 -1.16 0.00 3.38 -0.70 -2.13 115.31 115.85 1vke h LEU 84 Ca 0.09 -0.02 -0.00 0.00 0.09 0.00 0.00 57.88 58.03 1vke h LEU 84 Cb 0.25 -0.22 -0.04 0.00 0.09 0.00 0.00 40.66 40.74 1vke h LEU 84 CO -0.00 0.64 0.48 0.44 0.09 0.00 0.00 178.44 180.09 1vke h ASP 85 N 1.05 0.93 -0.26 -0.43 3.32 -0.88 0.52 116.42 120.67 1vke h ASP 85 Ca 0.30 -0.05 -0.04 0.00 0.02 0.00 0.00 57.03 57.26 1vke h ASP 85 Cb -0.08 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 39.23 1vke h ASP 85 CO -0.07 0.70 0.01 0.40 -1.72 0.00 0.00 179.24 178.57 1vke h ILE 86 N 1.07 1.25 -0.97 0.35 2.04 -1.24 -1.73 117.51 118.29 1vke h ILE 86 Ca 0.28 -0.87 0.03 0.00 1.00 0.00 0.00 64.86 65.29 1vke h ILE 86 Cb -0.06 1.31 -0.05 0.00 -0.74 0.00 0.00 36.82 37.27 1vke h ILE 86 CO -0.06 0.28 0.64 0.00 0.00 0.00 0.00 178.15 179.01 1vke h ALA 87 N 0.83 1.35 -0.26 1.87 0.00 -0.93 -1.01 119.26 121.12 1vke h ALA 87 Ca 0.08 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 1vke h ALA 87 Cb 0.39 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 1vke h ALA 87 CO 0.01 0.58 0.13 1.25 0.00 0.00 0.00 179.25 181.22 1vke h LEU 88 N 1.26 0.32 -0.20 0.00 5.85 -0.70 0.13 115.31 121.97 1vke h LEU 88 Ca 0.37 -0.10 -0.10 0.00 0.84 0.00 0.00 57.88 58.89 1vke h LEU 88 Cb -0.06 -0.08 -0.00 0.00 0.37 0.00 0.00 40.66 40.89 1vke h LEU 88 CO -0.10 0.33 -0.26 0.58 -0.34 0.00 0.00 178.44 178.65 1vke h VAL 89 N 0.29 1.33 -0.12 1.05 2.07 -1.12 0.36 116.25 120.12 1vke h VAL 89 Ca 0.09 -1.45 -0.02 0.00 0.82 0.00 0.00 66.70 66.14 1vke h VAL 89 Cb 0.08 1.79 -0.00 0.00 -1.52 0.00 0.00 31.29 31.64 1vke h VAL 89 CO -0.01 0.44 0.01 0.58 0.02 0.00 0.00 177.57 178.61 1vke h VAL 90 N 0.21 1.24 0.00 2.57 2.07 -1.19 -3.32 116.25 117.83 1vke h VAL 90 Ca 0.03 -0.78 0.00 0.00 0.82 0.00 0.00 66.70 66.77 1vke h VAL 90 Cb 0.82 1.52 0.00 0.00 -1.52 0.00 0.00 31.29 32.12 1vke h VAL 90 CO 0.06 0.23 -0.53 0.61 0.02 0.00 0.00 177.57 177.96 1vke n GLY 91 N -0.33 -1.44 0.00 2.17 0.00 0.47 -5.06 105.19 101.00 1vke n GLY 91 Ca -0.06 -0.22 0.00 0.00 0.00 0.00 0.00 46.02 45.74 1vke n GLY 91 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1vke n GLY 92 N 1.35 0.29 0.30 -0.02 0.00 0.12 -4.50 105.19 102.72 1vke n GLY 92 Ca 0.04 -1.86 0.20 0.00 0.00 0.00 0.00 46.02 44.40 1vke n GLY 92 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1vke h SER 93 N 0.00 0.00 -0.03 1.61 4.64 -1.93 -1.45 113.55 116.39 1vke h SER 93 Ca 0.00 0.00 0.01 0.00 -0.47 0.00 0.00 61.79 61.33 1vke h SER 93 Cb 0.00 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.09 1vke h SER 93 CO 0.00 0.00 0.07 -0.29 -0.87 0.00 0.00 176.83 175.74 1vke h ILE 94 N 0.00 0.21 0.00 0.95 6.09 -1.93 -0.90 117.51 121.93 1vke h ILE 94 Ca 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 63.49 1vke h ILE 94 Cb 0.01 0.94 0.00 0.00 0.47 0.00 0.00 36.82 38.24 1vke h ILE 94 CO 0.00 0.00 -0.11 1.33 -3.07 0.00 0.00 178.15 176.30 1vke n VAL 95 N -3.37 0.11 -0.16 2.19 0.24 -0.54 -4.41 118.33 112.38 1vke n VAL 95 Ca -0.02 -0.06 -0.02 0.00 -2.04 0.00 0.00 64.34 62.20 1vke n VAL 95 Cb 0.14 -0.38 0.07 0.00 -1.47 0.00 0.00 33.84 32.20 1vke n VAL 95 CO 0.00 0.00 0.00 0.40 -2.14 0.00 0.00 176.83 175.09 1vke h ILE 96 N 0.00 0.63 -0.66 1.34 2.04 -1.35 -0.46 117.51 119.05 1vke h ILE 96 Ca 0.00 -0.05 0.06 0.00 1.00 0.00 0.00 64.86 65.87 1vke h ILE 96 Cb 0.55 0.46 -0.04 0.00 -0.74 0.00 0.00 36.82 37.05 1vke h ILE 96 CO 0.00 0.03 0.44 -0.65 0.00 0.00 0.00 178.15 177.96 1vke h PRO 97 N 0.15 0.64 -0.24 2.37 0.11 -1.82 0.18 132.00 133.40 1vke h PRO 97 Ca 0.26 -0.04 -0.19 0.00 0.11 0.00 0.00 66.00 66.14 1vke h PRO 97 Cb 0.39 -0.15 0.00 0.00 0.11 0.00 0.00 31.00 31.35 1vke h PRO 97 CO -0.40 0.43 -0.59 0.45 -0.21 0.00 0.00 178.00 177.68 1vke h HIS 98 N 0.66 1.06 -0.62 0.65 3.86 -1.44 -2.44 115.15 116.88 1vke h HIS 98 Ca 0.29 -0.40 0.01 0.00 -1.16 0.00 0.00 60.37 59.11 1vke h HIS 98 Cb 0.28 -0.19 -0.03 0.00 1.06 0.00 0.00 27.41 28.52 1vke h HIS 98 CO -0.00 1.23 0.40 1.25 0.86 0.00 0.00 177.93 181.66 1vke h LEU 99 N 0.59 0.67 -0.30 2.43 5.85 -0.32 0.11 115.31 124.35 1vke h LEU 99 Ca -0.00 -0.01 0.01 0.00 0.84 0.00 0.00 57.88 58.72 1vke h LEU 99 Cb 1.20 -0.16 -0.02 0.00 0.37 0.00 0.00 40.66 42.05 1vke h LEU 99 CO 0.13 0.48 0.18 0.03 -0.34 0.00 0.00 178.44 178.92 1vke h ARG 100 N 0.80 0.35 -0.87 1.25 3.08 -0.97 -0.75 114.38 117.27 1vke h ARG 100 Ca 0.23 -0.02 -0.02 0.00 0.07 0.00 0.00 59.98 60.24 1vke h ARG 100 Cb -0.05 -0.08 -0.04 0.00 0.08 0.00 0.00 29.97 29.88 1vke h ARG 100 CO -0.07 0.23 0.46 0.00 -1.07 0.00 0.00 179.97 179.53 1vke h ARG 101 N 0.36 1.22 -0.16 0.04 3.08 -1.20 -1.77 114.38 115.95 1vke h ARG 101 Ca 0.12 -0.15 0.00 0.00 0.07 0.00 0.00 59.98 60.02 1vke h ARG 101 Cb -0.00 -0.23 -0.01 0.00 0.08 0.00 0.00 29.97 29.80 1vke h ARG 101 CO -0.05 0.90 0.11 0.00 -1.07 0.00 0.00 179.97 179.85 1vke h ALA 102 N 1.25 0.21 -0.59 0.04 0.00 -0.58 -0.74 119.26 118.85 1vke h ALA 102 Ca 0.30 -0.01 -0.08 0.00 0.00 0.00 0.00 54.91 55.12 1vke h ALA 102 Cb 0.05 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 1vke h ALA 102 CO -0.05 -0.31 0.04 0.28 0.00 0.00 0.00 179.25 179.21 1vke h VAL 103 N 0.22 1.26 -0.81 0.00 2.07 -1.00 -0.27 116.25 117.72 1vke h VAL 103 Ca 0.06 -1.07 -0.03 0.00 0.82 0.00 0.00 66.70 66.48 1vke h VAL 103 Cb -0.02 0.76 -0.04 0.00 -1.52 0.00 0.00 31.29 30.47 1vke h VAL 103 CO -0.02 0.39 0.39 1.23 0.02 0.00 0.00 177.57 179.58 1vke h GLY 104 N 1.01 1.25 1.11 2.17 0.00 -1.13 -1.93 103.07 105.55 1vke h GLY 104 Ca 0.18 -0.62 -0.13 0.00 0.00 0.00 0.00 47.33 46.75 1vke h GLY 104 CO 0.02 0.59 -0.22 -2.75 0.00 0.00 0.00 176.54 174.18 1vke h PHE 105 N 1.15 1.15 -0.88 5.60 3.57 -0.83 -2.37 116.94 124.32 1vke h PHE 105 Ca 0.28 -0.28 0.06 0.00 3.53 0.00 0.00 57.97 61.56 1vke h PHE 105 Cb 0.12 -0.27 -0.06 0.00 2.79 0.00 0.00 35.95 38.53 1vke h PHE 105 CO 0.01 1.11 0.55 1.25 -2.23 0.00 0.00 178.31 179.00 1vke h LEU 106 N 0.85 0.87 -0.88 0.59 5.85 -0.83 -1.23 115.31 120.54 1vke h LEU 106 Ca 0.11 0.01 -0.06 0.00 0.84 0.00 0.00 57.88 58.79 1vke h LEU 106 Cb 0.80 -0.17 -0.03 0.00 0.37 0.00 0.00 40.66 41.64 1vke h LEU 106 CO 0.07 0.56 0.19 -0.33 -0.34 0.00 0.00 178.44 178.59 1vke h GLU 107 N 1.01 1.02 -0.84 1.25 5.08 -1.08 -0.63 114.58 120.38 1vke h GLU 107 Ca 0.38 -0.21 0.00 0.00 -1.00 0.00 0.00 59.36 58.53 1vke h GLU 107 Cb 0.16 -0.15 -0.04 0.00 0.50 0.00 0.00 28.75 29.22 1vke h GLU 107 CO -0.17 0.88 0.54 0.93 -1.00 0.00 0.00 179.01 180.19 1vke h GLU 108 N 0.98 1.12 -0.78 2.33 5.08 -0.86 -1.88 114.58 120.57 1vke h GLU 108 Ca 0.21 -0.08 -0.05 0.00 -1.00 0.00 0.00 59.36 58.44 1vke h GLU 108 Cb 0.30 -0.25 -0.03 0.00 0.50 0.00 0.00 28.75 29.27 1vke h GLU 108 CO -0.01 0.75 0.28 -0.07 -1.00 0.00 0.00 179.01 178.97 1vke h LEU 109 N 1.14 1.10 -0.79 1.33 3.38 -0.17 -1.76 115.31 119.54 1vke h LEU 109 Ca 0.31 -0.19 -0.10 0.00 0.09 0.00 0.00 57.88 57.98 1vke h LEU 109 Cb -0.10 -0.29 -0.02 0.00 0.09 0.00 0.00 40.66 40.35 1vke h LEU 109 CO -0.06 0.99 -0.19 0.03 0.09 0.00 0.00 178.44 179.30 1vke h ARG 110 N 1.14 0.71 -0.37 1.13 2.47 -0.92 -1.52 114.38 117.02 1vke h ARG 110 Ca 0.25 -0.26 -0.03 0.00 -1.26 0.00 0.00 59.98 58.69 1vke h ARG 110 Cb 0.26 -0.04 -0.02 0.00 -1.65 0.00 0.00 29.97 28.52 1vke h ARG 110 CO -0.02 0.85 0.13 1.49 0.56 0.00 0.00 179.97 182.98 1vke h GLU 111 N 0.63 0.56 -0.36 0.04 4.81 -1.08 -0.73 114.58 118.45 1vke h GLU 111 Ca 0.09 -0.11 0.06 0.00 -0.13 0.00 0.00 59.36 59.27 1vke h GLU 111 Cb 0.67 -0.09 -0.05 0.00 0.63 0.00 0.00 28.75 29.91 1vke h GLU 111 CO 0.05 0.57 0.05 0.52 -0.73 0.00 0.00 179.01 179.46 1vke h MET 112 N 0.45 0.15 -0.46 1.92 2.86 -1.09 -1.04 114.93 117.72 1vke h MET 112 Ca 0.12 -0.01 0.08 0.00 -2.06 0.00 0.00 59.70 57.84 1vke h MET 112 Cb 0.23 -0.03 -0.07 0.00 0.06 0.00 0.00 31.60 31.78 1vke h MET 112 CO -0.01 0.10 0.04 0.93 1.06 0.00 0.00 176.91 179.03 1vke h GLU 113 N 0.16 0.15 0.00 1.72 5.08 -0.98 -1.20 114.58 119.50 1vke h GLU 113 Ca 0.17 -0.01 -0.04 0.00 -1.00 0.00 0.00 59.36 58.49 1vke h GLU 113 Cb 0.22 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.43 1vke h GLU 113 CO -0.25 0.10 -0.18 0.87 -1.00 0.00 0.00 179.01 178.55 1vke h LYS 114 N 0.15 0.00 -0.22 2.33 1.57 -0.58 -1.77 116.57 118.06 1vke h LYS 114 Ca 0.23 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.01 1vke h LYS 114 Cb 0.33 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.64 1vke h LYS 114 CO -0.35 0.18 0.00 0.09 -0.57 0.00 0.00 179.45 178.80 1vke n ASN 115 N -4.19 1.62 -0.63 0.86 5.03 -0.45 -4.94 115.26 112.57 1vke n ASN 115 Ca -0.02 -1.80 -0.08 0.00 0.87 0.00 0.00 54.58 53.55 1vke n ASN 115 Cb 0.25 -0.14 -0.03 0.00 -1.02 0.00 0.00 39.78 38.83 1vke n ASN 115 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1vke n GLY 116 N 1.08 0.99 3.77 7.41 0.00 -0.60 -5.00 105.19 112.83 1vke n GLY 116 Ca 0.14 -0.49 -0.38 0.00 0.00 0.00 0.00 46.02 45.30 1vke n GLY 116 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1vke s GLU 117 N -2.51 4.63 0.21 1.61 2.02 -0.63 -5.01 118.70 119.01 1vke s GLU 117 Ca 0.00 1.32 -0.30 0.00 0.02 0.00 0.00 54.97 56.01 1vke s GLU 117 Cb 0.00 -2.99 -0.08 0.00 0.10 0.00 0.00 34.13 31.16 1vke s GLU 117 CO 0.00 0.39 1.00 0.99 0.02 0.00 0.00 175.26 177.66 1vke s THR 118 N -1.44 4.03 -2.21 3.63 2.01 -1.26 -4.38 115.64 116.02 1vke s THR 118 Ca 0.45 1.90 0.30 0.00 0.31 0.00 0.00 61.69 64.65 1vke s THR 118 Cb -0.21 -4.21 0.76 0.00 0.01 0.00 0.00 72.50 68.85 1vke s THR 118 CO 0.26 0.39 2.02 -0.38 -0.69 0.00 0.00 174.62 176.23