#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1vke s THR 22 N 0.00 0.93 0.32 2.61 -4.23 -1.26 -5.00 115.64 109.01 1vke s THR 22 Ca 0.00 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 58.51 1vke s THR 22 Cb 0.00 -2.06 0.23 0.00 1.34 0.00 0.00 72.50 72.01 1vke s THR 22 CO 0.00 0.00 1.94 -0.07 -0.54 0.00 0.00 174.62 175.95 1vke h LEU 23 N 1.35 0.79 -0.75 4.79 3.38 -2.05 -1.83 115.31 120.99 1vke h LEU 23 Ca -0.42 -0.06 -0.08 0.00 0.09 0.00 0.00 57.88 57.40 1vke h LEU 23 Cb 1.32 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 41.85 1vke h LEU 23 CO 0.70 0.64 0.04 0.78 0.09 0.00 0.00 178.44 180.69 1vke h ASN 24 N 0.90 0.96 -0.45 -0.43 2.35 -1.99 -0.16 115.58 116.76 1vke h ASN 24 Ca 0.23 -0.24 -0.00 0.00 -0.55 0.00 0.00 56.30 55.73 1vke h ASN 24 Cb 0.03 -0.26 -0.02 0.00 0.05 0.00 0.00 38.32 38.12 1vke h ASN 24 CO -0.04 0.99 0.26 0.74 -1.65 0.00 0.00 177.43 177.74 1vke h THR 25 N 0.92 1.15 -0.43 2.81 2.02 -1.77 -1.52 112.91 116.09 1vke h THR 25 Ca 0.18 -0.35 -0.01 0.00 0.77 0.00 0.00 66.41 67.00 1vke h THR 25 Cb 0.48 0.57 -0.02 0.00 -1.74 0.00 0.00 68.15 67.44 1vke h THR 25 CO 0.02 0.15 0.24 0.11 0.37 0.00 0.00 175.52 176.41 1vke h LYS 26 N 0.59 0.59 -0.97 6.66 1.57 -1.07 -1.60 116.57 122.35 1vke h LYS 26 Ca 0.16 -0.07 0.00 0.00 -1.87 0.00 0.00 60.65 58.88 1vke h LYS 26 Cb 0.01 -0.12 -0.05 0.00 0.08 0.00 0.00 32.23 32.16 1vke h LYS 26 CO -0.03 0.47 0.62 0.00 -0.57 0.00 0.00 179.45 179.94 1vke h ARG 27 N 0.56 1.29 -0.28 3.15 3.08 -0.80 -0.42 114.38 120.96 1vke h ARG 27 Ca 0.15 -0.09 -0.03 0.00 0.07 0.00 0.00 59.98 60.08 1vke h ARG 27 Cb 0.04 -0.28 -0.01 0.00 0.08 0.00 0.00 29.97 29.80 1vke h ARG 27 CO -0.03 0.87 0.07 0.35 -1.07 0.00 0.00 179.97 180.16 1vke h PHE 28 N 1.32 0.47 -0.66 3.04 3.04 -0.77 -1.15 116.94 122.23 1vke h PHE 28 Ca 0.35 -0.06 -0.03 0.00 3.98 0.00 0.00 57.97 62.21 1vke h PHE 28 Cb -0.12 -0.13 -0.03 0.00 2.56 0.00 0.00 35.95 38.23 1vke h PHE 28 CO 0.00 0.52 0.28 0.74 -2.02 0.00 0.00 178.31 177.84 1vke h PHE 29 N 0.28 0.95 -0.78 0.41 -1.00 -0.94 -0.53 116.94 115.34 1vke h PHE 29 Ca 0.09 -0.05 -0.04 0.00 2.81 0.00 0.00 57.97 60.78 1vke h PHE 29 Cb 0.29 -0.29 -0.03 0.00 3.61 0.00 0.00 35.95 39.52 1vke h PHE 29 CO 0.01 0.72 0.34 -0.91 -1.61 0.00 0.00 178.31 176.86 1vke h ASN 30 N 0.94 1.05 -0.50 2.17 2.35 -0.81 -2.17 115.58 118.60 1vke h ASN 30 Ca 0.23 -0.16 -0.13 0.00 -0.55 0.00 0.00 56.30 55.69 1vke h ASN 30 Cb 0.15 -0.27 -0.01 0.00 0.05 0.00 0.00 38.32 38.24 1vke h ASN 30 CO -0.02 0.91 -0.18 -0.07 -1.65 0.00 0.00 177.43 176.42 1vke h LEU 31 N 1.11 1.03 -0.76 1.61 3.38 -0.68 -0.99 115.31 120.02 1vke h LEU 31 Ca 0.26 -0.37 0.07 0.00 0.09 0.00 0.00 57.88 57.93 1vke h LEU 31 Cb 0.17 -0.28 -0.06 0.00 0.09 0.00 0.00 40.66 40.58 1vke h LEU 31 CO -0.03 1.17 0.43 -0.78 0.09 0.00 0.00 178.44 179.33 1vke h ASP 32 N 0.88 0.65 -0.28 -0.43 3.58 -0.93 -1.72 116.42 118.17 1vke h ASP 32 Ca 0.12 0.03 -0.06 0.00 0.42 0.00 0.00 57.03 57.54 1vke h ASP 32 Cb 0.75 -0.10 -0.01 0.00 1.72 0.00 0.00 39.33 41.70 1vke h ASP 32 CO 0.06 0.40 -0.06 0.28 -2.88 0.00 0.00 179.24 177.04 1vke h SER 33 N 0.78 0.54 -0.88 2.28 0.02 -1.21 -3.33 113.55 111.75 1vke h SER 33 Ca 0.34 -0.36 0.02 0.00 -0.84 0.00 0.00 61.79 60.95 1vke h SER 33 Cb 0.23 -0.15 -0.05 0.00 0.14 0.00 0.00 62.40 62.58 1vke h SER 33 CO -0.20 0.78 0.58 0.00 -1.14 0.00 0.00 176.83 176.85 1vke h ALA 34 N 0.78 1.39 0.00 3.77 0.00 -0.47 -2.61 119.26 122.12 1vke h ALA 34 Ca 0.07 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1vke h ALA 34 Cb 0.54 -0.34 0.00 0.00 0.00 0.00 0.00 17.79 17.99 1vke h ALA 34 CO 0.03 0.55 0.00 1.33 0.00 0.00 0.00 179.25 181.16 1vke n VAL 35 N -4.41 1.13 0.82 0.00 0.24 -0.71 -1.96 118.33 113.43 1vke n VAL 35 Ca 0.11 0.31 0.11 0.00 -2.04 0.00 0.00 64.34 62.83 1vke n VAL 35 Cb 0.04 -1.15 0.11 0.00 -1.47 0.00 0.00 33.84 31.38 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 -1.67 0.08 -1.75 6.34 4.01 -0.98 -4.99 117.16 118.19 1vke n TYR 36 Ca 0.02 -0.04 -0.33 0.00 -0.16 0.00 0.00 57.90 57.40 1vke n TYR 36 Cb 0.15 -0.00 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 -1.78 2.85 0.40 -0.72 0.52 -0.83 -4.71 118.95 114.69 1vke s ARG 37 Ca 0.28 1.32 -0.26 0.00 -0.52 0.00 0.00 55.73 56.54 1vke s ARG 37 Cb 0.19 -1.96 -0.09 0.00 0.52 0.00 0.00 34.95 33.61 1vke s ARG 37 CO 0.28 -1.20 1.35 -1.25 0.02 0.00 0.00 175.30 174.50 1vke s PRO 38 N -4.20 3.96 0.00 3.54 0.04 -1.26 -4.85 135.00 132.23 1vke s PRO 38 Ca 0.65 2.26 0.00 0.00 0.04 0.00 0.00 61.00 63.96 1vke s PRO 38 Cb -0.19 -2.79 0.00 0.00 0.04 0.00 0.00 34.50 31.56 1vke s PRO 38 CO 0.43 -0.54 0.00 0.41 0.04 0.00 0.00 177.00 177.34 1vke n GLY 39 N 0.64 5.42 0.22 0.56 0.00 -1.26 -4.98 105.19 105.79 1vke n GLY 39 Ca 0.03 -0.79 0.08 0.00 0.00 0.00 0.00 46.02 45.34 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 -5.92 1.61 1.79 -2.05 -3.39 116.57 108.61 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 -0.06 0.00 -1.58 0.00 0.00 32.23 30.59 1vke h LYS 40 CO 0.00 0.26 -0.14 -0.51 -1.08 0.00 0.00 179.45 177.98 1vke s LEU 41 N -7.53 4.38 0.79 2.94 1.43 -1.26 -5.09 118.68 114.34 1vke s LEU 41 Ca -0.02 0.95 -0.12 0.00 -1.03 0.00 0.00 54.13 53.91 1vke s LEU 41 Cb 0.13 -2.70 0.06 0.00 0.03 0.00 0.00 46.19 43.71 1vke s LEU 41 CO 0.66 0.15 1.13 1.51 0.23 0.00 0.00 176.35 180.03 1vke s ASP 42 N -0.22 4.68 0.20 2.29 1.47 -1.26 -4.64 116.67 119.19 1vke s ASP 42 Ca 0.26 1.02 -0.09 0.00 1.18 0.00 0.00 52.55 54.91 1vke s ASP 42 Cb -0.16 -1.66 0.12 0.00 -0.34 0.00 0.00 42.92 40.87 1vke s ASP 42 CO 0.13 -1.82 1.74 0.58 0.68 0.00 0.00 175.17 176.49 1vke h VAL 43 N -0.99 1.25 -0.36 2.11 2.07 -1.89 -1.02 116.25 117.43 1vke h VAL 43 Ca -0.46 -0.83 0.06 0.00 0.82 0.00 0.00 66.70 66.29 1vke h VAL 43 Cb 1.29 0.46 -0.06 0.00 -1.52 0.00 0.00 31.29 31.46 1vke h VAL 43 CO 0.64 0.33 -0.00 0.50 0.02 0.00 0.00 177.57 179.05 1vke h LYS 44 N 1.03 0.10 -0.45 1.57 3.64 -1.93 0.50 116.57 121.02 1vke h LYS 44 Ca 0.23 -0.01 -0.00 0.00 -1.27 0.00 0.00 60.65 59.60 1vke h LYS 44 Cb 0.25 -0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 32.03 1vke h LYS 44 CO -0.01 0.06 0.26 1.15 -2.27 0.00 0.00 179.45 178.64 1vke h THR 45 N 0.10 1.15 -0.84 1.00 2.02 -1.82 -1.26 112.91 113.26 1vke h THR 45 Ca 0.17 -0.35 -0.01 0.00 0.77 0.00 0.00 66.41 67.00 1vke h THR 45 Cb 0.24 0.56 -0.04 0.00 -1.74 0.00 0.00 68.15 67.17 1vke h THR 45 CO -0.29 0.15 0.48 0.11 0.37 0.00 0.00 175.52 176.34 1vke h LYS 46 N 0.60 1.16 -0.18 6.66 1.57 -0.75 -1.00 116.57 124.62 1vke h LYS 46 Ca 0.16 -0.12 -0.12 0.00 -1.87 0.00 0.00 60.65 58.70 1vke h LYS 46 Cb 0.01 -0.23 -0.01 0.00 0.08 0.00 0.00 32.23 32.08 1vke h LYS 46 CO -0.03 0.84 -0.39 0.93 -0.57 0.00 0.00 179.45 180.23 1vke h GLU 47 N 1.17 0.41 -0.50 3.15 4.39 -0.70 -0.14 114.58 122.35 1vke h GLU 47 Ca 0.30 -0.19 -0.08 0.00 0.34 0.00 0.00 59.36 59.73 1vke h GLU 47 Cb -0.00 -0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 28.62 1vke h GLU 47 CO -0.05 0.74 0.00 -0.07 -1.16 0.00 0.00 179.01 178.47 1vke h LEU 48 N 0.34 0.81 -0.54 1.33 3.38 -0.74 -0.03 115.31 119.86 1vke h LEU 48 Ca 0.03 -0.20 -0.03 0.00 0.09 0.00 0.00 57.88 57.77 1vke h LEU 48 Cb 0.84 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 41.35 1vke h LEU 48 CO 0.07 0.88 0.22 0.24 0.09 0.00 0.00 178.44 179.94 1vke h MET 49 N 0.78 0.81 -0.65 1.13 2.86 -0.72 -1.58 114.93 117.56 1vke h MET 49 Ca 0.15 -0.14 0.07 0.00 -2.06 0.00 0.00 59.70 57.72 1vke h MET 49 Cb 0.47 -0.13 -0.06 0.00 0.06 0.00 0.00 31.60 31.94 1vke h MET 49 CO 0.02 0.70 0.34 0.78 1.06 0.00 0.00 176.91 179.81 1vke h GLY 50 N 0.74 0.96 0.84 8.32 0.00 -0.67 -1.24 103.07 112.02 1vke h GLY 50 Ca 0.18 -0.22 0.02 0.00 0.00 0.00 0.00 47.33 47.31 1vke h GLY 50 CO -0.02 0.10 0.09 -2.00 0.00 0.00 0.00 176.54 174.72 1vke h LEU 51 N 0.61 0.11 -0.27 3.11 5.85 -0.72 -0.32 115.31 123.68 1vke h LEU 51 Ca 0.31 0.02 -0.01 0.00 0.84 0.00 0.00 57.88 59.03 1vke h LEU 51 Cb 0.25 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.27 1vke h LEU 51 CO -0.22 0.10 0.13 0.58 -0.34 0.00 0.00 178.44 178.69 1vke h VAL 52 N 0.20 1.15 -0.55 1.05 2.07 -0.99 -0.85 116.25 118.33 1vke h VAL 52 Ca 0.10 -0.41 0.00 0.00 0.82 0.00 0.00 66.70 67.21 1vke h VAL 52 Cb 0.05 0.93 -0.03 0.00 -1.52 0.00 0.00 31.29 30.72 1vke h VAL 52 CO -0.09 0.15 0.35 0.00 0.02 0.00 0.00 177.57 177.99 1vke h ALA 53 N 0.99 0.70 -0.32 1.67 0.00 -1.14 -1.45 119.26 119.71 1vke h ALA 53 Ca 0.09 -0.05 -0.05 0.00 0.00 0.00 0.00 54.91 54.90 1vke h ALA 53 Cb 0.11 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.67 1vke h ALA 53 CO -0.01 0.16 -0.01 0.77 0.00 0.00 0.00 179.25 180.16 1vke h SER 54 N 0.74 0.45 0.03 0.00 0.02 -0.81 -2.35 113.55 111.63 1vke h SER 54 Ca 0.20 -0.08 -0.07 0.00 -0.84 0.00 0.00 61.79 61.00 1vke h SER 54 Cb -0.05 -0.12 0.01 0.00 0.14 0.00 0.00 62.40 62.37 1vke h SER 54 CO -0.04 0.53 -0.29 0.74 -1.14 0.00 0.00 176.83 176.62 1vke h THR 55 N 0.47 1.61 0.00 -2.27 2.02 -0.75 -1.34 112.91 112.64 1vke h THR 55 Ca 0.10 -2.18 -0.02 0.00 0.77 0.00 0.00 66.41 65.08 1vke h THR 55 Cb 0.32 3.03 -0.00 0.00 -1.74 0.00 0.00 68.15 69.76 1vke h THR 55 CO 0.01 0.59 -0.10 -0.37 0.37 0.00 0.00 175.52 176.02 1vke h VAL 56 N -0.61 0.57 -0.01 3.16 -1.51 -1.23 -1.28 116.25 115.33 1vke h VAL 56 Ca -0.04 -0.46 0.00 0.00 -1.23 0.00 0.00 66.70 64.96 1vke h VAL 56 Cb 1.13 1.30 0.00 0.00 -2.13 0.00 0.00 31.29 31.59 1vke h VAL 56 CO 0.06 0.10 -0.25 0.18 -1.23 0.00 0.00 177.57 176.43 1vke n LEU 57 N -3.68 1.21 -3.35 4.19 4.77 -0.89 -4.89 117.00 114.36 1vke n LEU 57 Ca -0.02 -0.35 -0.17 0.00 -0.03 0.00 0.00 56.01 55.44 1vke n LEU 57 Cb 0.22 -0.09 0.09 0.00 -2.33 0.00 0.00 43.42 41.30 1vke n LEU 57 CO 0.30 0.22 0.11 0.54 -1.33 0.00 0.00 177.39 177.23 1vke n ARG 58 N -0.46 -6.47 -3.63 3.23 1.74 -0.48 -4.98 116.66 105.60 1vke n ARG 58 Ca 0.13 0.82 -0.39 0.00 -0.77 0.00 0.00 57.85 57.63 1vke n ARG 58 Cb 0.37 -5.75 -0.10 0.00 -1.02 0.00 0.00 32.46 25.95 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 8.34 0.57 -0.29 0.00 3.32 -1.94 -0.67 116.42 125.77 1vke h ASP 60 Ca -0.20 -0.04 -0.05 0.00 0.02 0.00 0.00 57.03 56.76 1vke h ASP 60 Cb 1.07 -0.14 -0.02 0.00 0.22 0.00 0.00 39.33 40.46 1vke h ASP 60 CO 0.77 0.44 0.03 0.44 -1.72 0.00 0.00 179.24 179.21 1vke h ASP 61 N 0.65 0.55 -0.26 6.45 5.19 -1.98 -0.91 116.42 126.11 1vke h ASP 61 Ca 0.18 -0.10 -0.07 0.00 -0.62 0.00 0.00 57.03 56.42 1vke h ASP 61 Cb -0.04 -0.14 -0.01 0.00 0.18 0.00 0.00 39.33 39.32 1vke h ASP 61 CO -0.04 0.59 -0.10 0.00 -3.12 0.00 0.00 179.24 176.58 1vke h ILE 63 N 0.26 0.83 -0.41 0.00 2.04 -0.83 -1.35 117.51 118.05 1vke h ILE 63 Ca 0.06 -0.07 0.01 0.00 1.00 0.00 0.00 64.86 65.87 1vke h ILE 63 Cb 0.59 0.62 -0.02 0.00 -0.74 0.00 0.00 36.82 37.27 1vke h ILE 63 CO 0.03 0.03 0.25 0.03 0.00 0.00 0.00 178.15 178.50 1vke h ARG 64 N 0.19 0.50 -0.17 2.37 3.08 -1.06 0.34 114.38 119.62 1vke h ARG 64 Ca 0.16 -0.03 0.04 0.00 0.07 0.00 0.00 59.98 60.23 1vke h ARG 64 Cb 0.18 -0.11 -0.05 0.00 0.08 0.00 0.00 29.97 30.07 1vke h ARG 64 CO -0.21 0.33 -0.12 -0.92 -1.07 0.00 0.00 179.97 177.98 1vke h TYR 65 N 0.51 -0.29 -0.01 3.04 3.20 -1.02 -1.21 116.97 121.18 1vke h TYR 65 Ca 0.16 0.02 -0.13 0.00 3.14 0.00 0.00 58.73 61.92 1vke h TYR 65 Cb -0.02 0.16 -0.02 0.00 1.54 0.00 0.00 36.73 38.40 1vke h TYR 65 CO -0.06 -0.18 -0.59 0.45 -1.64 0.00 0.00 178.16 176.14 1vke h HIS 66 N -0.12 0.06 -0.60 -3.82 3.86 -0.98 -1.89 115.15 111.67 1vke h HIS 66 Ca 0.10 -0.02 -0.02 0.00 -1.16 0.00 0.00 60.37 59.27 1vke h HIS 66 Cb 0.27 -0.01 -0.03 0.00 1.06 0.00 0.00 27.41 28.71 1vke h HIS 66 CO -0.26 0.63 0.29 -0.07 0.86 0.00 0.00 177.93 179.37 1vke h LEU 67 N 0.04 0.78 -0.21 2.43 3.38 -0.61 0.11 115.31 121.23 1vke h LEU 67 Ca -0.01 -0.13 0.03 0.00 0.09 0.00 0.00 57.88 57.86 1vke h LEU 67 Cb 1.05 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 41.58 1vke h LEU 67 CO 0.08 0.69 0.04 0.58 0.09 0.00 0.00 178.44 179.92 1vke h VAL 68 N 0.82 0.90 -0.64 1.22 2.07 -0.77 -1.30 116.25 118.55 1vke h VAL 68 Ca 0.21 -0.04 -0.04 0.00 0.82 0.00 0.00 66.70 67.64 1vke h VAL 68 Cb 0.12 0.78 -0.03 0.00 -1.52 0.00 0.00 31.29 30.63 1vke h VAL 68 CO -0.03 0.02 0.24 0.03 0.02 0.00 0.00 177.57 177.86 1vke h ARG 69 N 0.12 0.98 -0.31 1.57 2.47 -1.06 0.08 114.38 118.23 1vke h ARG 69 Ca 0.09 -0.19 0.05 0.00 -1.26 0.00 0.00 59.98 58.67 1vke h ARG 69 Cb 0.09 -0.15 -0.04 0.00 -1.65 0.00 0.00 29.97 28.21 1vke h ARG 69 CO -0.13 0.83 0.03 0.00 0.56 0.00 0.00 179.97 181.27 1vke h VAL 71 N 0.13 1.15 -0.62 0.00 2.07 -0.87 -1.03 116.25 117.09 1vke h VAL 71 Ca 0.15 -0.45 0.06 0.00 0.82 0.00 0.00 66.70 67.27 1vke h VAL 71 Cb 0.18 1.06 -0.04 0.00 -1.52 0.00 0.00 31.29 30.97 1vke h VAL 71 CO -0.22 0.15 0.41 1.56 0.02 0.00 0.00 177.57 179.50 1vke h GLN 72 N 0.20 0.62 -0.27 1.57 4.20 -0.68 -1.77 115.11 118.97 1vke h GLN 72 Ca 0.07 -0.04 0.00 0.00 0.06 0.00 0.00 58.65 58.74 1vke h GLN 72 Cb 0.15 -0.14 0.00 0.00 0.30 0.00 0.00 27.48 27.79 1vke h GLN 72 CO -0.01 0.41 0.00 0.39 -0.67 0.00 0.00 178.83 178.95 1vke n GLU 73 N -4.47 1.67 -0.66 1.46 -0.58 -0.04 -4.93 120.64 113.09 1vke n GLU 73 Ca 0.09 -1.04 0.00 0.00 -0.42 0.00 0.00 57.16 55.78 1vke n GLU 73 Cb 0.21 -1.25 0.00 0.00 -0.57 0.00 0.00 31.44 29.83 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 0.99 0.65 3.76 0.62 0.00 -0.67 -4.79 105.19 105.76 1vke n GLY 74 Ca 0.11 -0.21 -0.39 0.00 0.00 0.00 0.00 46.02 45.53 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 3.13 0.54 4.61 0.00 -0.42 -5.02 121.76 122.60 1vke s ALA 75 Ca 0.00 1.27 -0.05 0.00 0.00 0.00 0.00 51.96 53.18 1vke s ALA 75 Cb 0.00 -3.51 -0.01 0.00 0.00 0.00 0.00 23.12 19.60 1vke s ALA 75 CO 0.00 -1.00 0.83 -1.54 0.00 0.00 0.00 175.76 174.06 1vke s SER 76 N -0.81 5.81 0.27 0.00 1.04 -1.26 -4.66 113.70 114.10 1vke s SER 76 Ca 0.62 0.71 -0.04 0.00 0.48 0.00 0.00 55.95 57.71 1vke s SER 76 Cb -0.39 -1.83 0.35 0.00 0.10 0.00 0.00 66.02 64.25 1vke s SER 76 CO 0.49 -0.87 1.93 0.44 0.98 0.00 0.00 173.24 176.20 1vke h ASP 77 N 0.02 1.04 -0.61 7.02 3.32 -1.99 -1.38 116.42 123.84 1vke h ASP 77 Ca -0.46 -0.04 -0.03 0.00 0.02 0.00 0.00 57.03 56.52 1vke h ASP 77 Cb 1.24 -0.26 -0.03 0.00 0.22 0.00 0.00 39.33 40.50 1vke h ASP 77 CO 0.60 0.77 0.28 -0.08 -1.72 0.00 0.00 179.24 179.09 1vke h GLU 78 N 1.21 0.89 -0.44 3.56 4.81 -1.99 0.20 114.58 122.82 1vke h GLU 78 Ca 0.32 -0.14 0.01 0.00 -0.13 0.00 0.00 59.36 59.42 1vke h GLU 78 Cb -0.09 -0.15 -0.03 0.00 0.63 0.00 0.00 28.75 29.11 1vke h GLU 78 CO -0.06 0.73 0.27 0.93 -0.73 0.00 0.00 179.01 180.15 1vke h GLU 79 N 0.84 0.53 -0.39 1.92 5.08 -1.86 -1.18 114.58 119.51 1vke h GLU 79 Ca 0.21 -0.03 -0.01 0.00 -1.00 0.00 0.00 59.36 58.53 1vke h GLU 79 Cb 0.15 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.26 1vke h GLU 79 CO -0.02 0.35 0.23 0.82 -1.00 0.00 0.00 179.01 179.38 1vke h ILE 80 N 0.54 1.14 -0.57 3.13 2.04 -0.82 -2.25 117.51 120.72 1vke h ILE 80 Ca 0.17 -0.35 -0.03 0.00 1.00 0.00 0.00 64.86 65.65 1vke h ILE 80 Cb -0.01 0.66 -0.03 0.00 -0.74 0.00 0.00 36.82 36.70 1vke h ILE 80 CO -0.07 0.14 0.21 -0.26 0.00 0.00 0.00 178.15 178.18 1vke h PHE 81 N 0.51 0.84 -0.52 1.37 0.04 -0.47 -0.21 116.94 118.50 1vke h PHE 81 Ca 0.14 -0.05 -0.05 0.00 2.80 0.00 0.00 57.97 60.81 1vke h PHE 81 Cb 0.03 -0.26 -0.02 0.00 2.20 0.00 0.00 35.95 37.90 1vke h PHE 81 CO -0.03 0.66 0.12 0.93 -0.60 0.00 0.00 178.31 179.39 1vke h GLU 82 N 0.82 0.79 -0.19 1.51 5.08 -0.91 -0.37 114.58 121.31 1vke h GLU 82 Ca 0.19 -0.16 -0.04 0.00 -1.00 0.00 0.00 59.36 58.36 1vke h GLU 82 Cb 0.18 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.31 1vke h GLU 82 CO -0.02 0.72 -0.02 0.00 -1.00 0.00 0.00 179.01 178.69 1vke h ALA 83 N 1.37 0.26 -0.28 3.43 0.00 -1.00 -3.03 119.26 120.00 1vke h ALA 83 Ca 0.17 -0.23 -0.03 0.00 0.00 0.00 0.00 54.91 54.82 1vke h ALA 83 Cb 0.29 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.00 1vke h ALA 83 CO -0.00 0.00 0.04 -0.07 0.00 0.00 0.00 179.25 179.22 1vke h LEU 84 N 0.08 0.38 -0.96 0.00 3.38 -0.75 -2.16 115.31 115.27 1vke h LEU 84 Ca 0.05 -0.05 -0.04 0.00 0.09 0.00 0.00 57.88 57.93 1vke h LEU 84 Cb 0.44 -0.10 -0.03 0.00 0.09 0.00 0.00 40.66 41.07 1vke h LEU 84 CO 0.01 0.41 0.23 0.44 0.09 0.00 0.00 178.44 179.62 1vke h ASP 85 N 0.41 0.91 -0.26 -0.43 3.32 -1.03 0.85 116.42 120.18 1vke h ASP 85 Ca 0.10 -0.14 -0.00 0.00 0.02 0.00 0.00 57.03 57.00 1vke h ASP 85 Cb 0.21 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 39.51 1vke h ASP 85 CO 0.00 0.83 0.15 0.40 -1.72 0.00 0.00 179.24 178.91 1vke h ILE 86 N 0.96 1.11 -0.74 0.35 2.04 -1.28 -0.81 117.51 119.13 1vke h ILE 86 Ca 0.22 -0.26 -0.03 0.00 1.00 0.00 0.00 64.86 65.79 1vke h ILE 86 Cb 0.23 0.81 -0.03 0.00 -0.74 0.00 0.00 36.82 37.09 1vke h ILE 86 CO -0.01 0.10 0.36 0.00 0.00 0.00 0.00 178.15 178.60 1vke h ALA 87 N 1.04 1.24 -0.04 1.87 0.00 -0.98 -0.33 119.26 122.06 1vke h ALA 87 Ca 0.09 -0.14 -0.00 0.00 0.00 0.00 0.00 54.91 54.86 1vke h ALA 87 Cb 0.03 -0.30 -0.00 0.00 0.00 0.00 0.00 17.79 17.53 1vke h ALA 87 CO -0.02 0.59 0.01 1.25 0.00 0.00 0.00 179.25 181.08 1vke h LEU 88 N 1.05 0.05 -0.41 0.00 5.85 -0.65 0.83 115.31 122.02 1vke h LEU 88 Ca 0.26 -0.19 -0.09 0.00 0.84 0.00 0.00 57.88 58.70 1vke h LEU 88 Cb 0.10 -0.01 -0.01 0.00 0.37 0.00 0.00 40.66 41.10 1vke h LEU 88 CO -0.03 0.22 -0.11 0.58 -0.34 0.00 0.00 178.44 178.76 1vke h VAL 89 N -0.13 1.28 -0.31 1.05 2.07 -0.94 -0.79 116.25 118.48 1vke h VAL 89 Ca 0.01 -1.22 -0.16 0.00 0.82 0.00 0.00 66.70 66.16 1vke h VAL 89 Cb 0.19 1.21 -0.00 0.00 -1.52 0.00 0.00 31.29 31.16 1vke h VAL 89 CO -0.00 0.41 -0.43 0.58 0.02 0.00 0.00 177.57 178.15 1vke h VAL 90 N 0.62 1.28 0.00 2.57 2.07 -1.04 -3.32 116.25 118.43 1vke h VAL 90 Ca 0.10 -1.61 0.00 0.00 0.82 0.00 0.00 66.70 66.01 1vke h VAL 90 Cb 0.64 1.56 0.00 0.00 -1.52 0.00 0.00 31.29 31.97 1vke h VAL 90 CO 0.04 0.53 -0.78 0.61 0.02 0.00 0.00 177.57 177.99 1vke n GLY 91 N 0.26 -1.27 0.00 2.17 0.00 0.28 -5.08 105.19 101.55 1vke n GLY 91 Ca -0.04 -0.35 0.00 0.00 0.00 0.00 0.00 46.02 45.63 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 1.39 0.00 0.20 -0.02 0.00 -0.30 -4.51 105.19 101.95 1vke n GLY 92 Ca 0.03 -1.87 0.14 0.00 0.00 0.00 0.00 46.02 44.32 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 -0.02 1.61 4.64 -1.94 -0.88 113.55 116.96 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 0.04 0.16 -0.87 0.00 0.00 176.83 176.16 1vke h ILE 94 N 0.00 0.29 0.00 0.95 3.07 -1.95 -0.95 117.51 118.92 1vke h ILE 94 Ca 0.00 0.00 -0.02 0.00 1.55 0.00 0.00 64.86 66.39 1vke h ILE 94 Cb 0.23 0.97 -0.00 0.00 -0.27 0.00 0.00 36.82 37.74 1vke h ILE 94 CO 0.00 0.00 -0.08 0.58 -1.05 0.00 0.00 178.15 177.60 1vke h VAL 95 N 0.00 0.22 -0.51 0.16 2.07 -1.38 -3.38 116.25 113.42 1vke h VAL 95 Ca 0.01 -0.74 0.09 0.00 0.82 0.00 0.00 66.70 66.88 1vke h VAL 95 Cb 0.08 1.61 -0.07 0.00 -1.52 0.00 0.00 31.29 31.39 1vke h VAL 95 CO -0.00 0.08 0.08 0.40 0.02 0.00 0.00 177.57 178.15 1vke h ILE 96 N 0.00 0.69 -0.70 4.57 2.04 -1.34 -0.08 117.51 122.68 1vke h ILE 96 Ca -0.00 -0.07 0.09 0.00 1.00 0.00 0.00 64.86 65.88 1vke h ILE 96 Cb 0.60 0.46 -0.05 0.00 -0.74 0.00 0.00 36.82 37.09 1vke h ILE 96 CO 0.01 0.04 0.46 -0.65 0.00 0.00 0.00 178.15 178.01 1vke h PRO 97 N 0.21 0.57 -0.08 2.37 0.11 -1.80 -0.20 132.00 133.17 1vke h PRO 97 Ca 0.26 -0.03 -0.18 0.00 0.11 0.00 0.00 66.00 66.15 1vke h PRO 97 Cb 0.36 -0.13 -0.00 0.00 0.11 0.00 0.00 31.00 31.34 1vke h PRO 97 CO -0.36 0.38 -0.72 0.45 -0.21 0.00 0.00 178.00 177.54 1vke h HIS 98 N 0.59 0.56 -0.60 0.65 3.86 -1.35 -2.27 115.15 116.59 1vke h HIS 98 Ca 0.32 -0.25 -0.05 0.00 -1.16 0.00 0.00 60.37 59.24 1vke h HIS 98 Cb 0.47 -0.09 -0.03 0.00 1.06 0.00 0.00 27.41 28.83 1vke h HIS 98 CO -0.00 1.00 0.20 1.25 0.86 0.00 0.00 177.93 181.24 1vke h LEU 99 N 0.29 0.87 -0.13 2.43 5.85 -0.24 -0.43 115.31 123.94 1vke h LEU 99 Ca -0.03 -0.20 0.03 0.00 0.84 0.00 0.00 57.88 58.52 1vke h LEU 99 Cb 1.29 -0.23 -0.03 0.00 0.37 0.00 0.00 40.66 42.06 1vke h LEU 99 CO 0.12 0.84 -0.07 -0.09 -0.34 0.00 0.00 178.44 178.90 1vke h ARG 100 N 0.85 -0.06 -0.80 1.25 9.65 -0.97 -1.00 114.38 123.30 1vke h ARG 100 Ca 0.20 0.00 0.01 0.00 -1.10 0.00 0.00 59.98 59.09 1vke h ARG 100 Cb 0.27 0.01 -0.04 0.00 -1.39 0.00 0.00 29.97 28.83 1vke h ARG 100 CO -0.01 -0.04 0.52 0.00 2.80 0.00 0.00 179.97 183.24 1vke h ARG 101 N -0.06 1.06 -0.61 0.20 3.08 -1.24 -1.85 114.38 114.95 1vke h ARG 101 Ca 0.08 -0.07 0.00 0.00 0.07 0.00 0.00 59.98 60.06 1vke h ARG 101 Cb 0.18 -0.24 -0.03 0.00 0.08 0.00 0.00 29.97 29.96 1vke h ARG 101 CO -0.17 0.71 0.39 0.00 -1.07 0.00 0.00 179.97 179.83 1vke h ALA 102 N 1.29 0.77 -0.40 0.04 0.00 -0.72 -1.10 119.26 119.14 1vke h ALA 102 Ca 0.29 -0.05 -0.15 0.00 0.00 0.00 0.00 54.91 55.00 1vke h ALA 102 Cb -0.11 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.43 1vke h ALA 102 CO -0.06 0.22 -0.35 0.28 0.00 0.00 0.00 179.25 179.34 1vke h VAL 103 N 0.82 1.27 -0.81 0.00 2.07 -0.88 -0.10 116.25 118.63 1vke h VAL 103 Ca 0.22 -1.52 0.03 0.00 0.82 0.00 0.00 66.70 66.25 1vke h VAL 103 Cb -0.08 1.33 -0.05 0.00 -1.52 0.00 0.00 31.29 30.98 1vke h VAL 103 CO -0.05 0.51 0.52 1.23 0.02 0.00 0.00 177.57 179.80 1vke h GLY 104 N 0.82 1.17 0.99 2.17 0.00 -1.15 -0.95 103.07 106.13 1vke h GLY 104 Ca 0.07 -0.39 -0.11 0.00 0.00 0.00 0.00 47.33 46.89 1vke h GLY 104 CO 0.09 0.33 -0.23 -2.75 0.00 0.00 0.00 176.54 173.98 1vke h PHE 105 N 1.01 0.89 -1.00 5.60 3.57 -0.91 -2.12 116.94 123.97 1vke h PHE 105 Ca 0.32 -0.24 0.03 0.00 3.53 0.00 0.00 57.97 61.61 1vke h PHE 105 Cb 0.01 -0.20 -0.06 0.00 2.79 0.00 0.00 35.95 38.50 1vke h PHE 105 CO -0.03 0.99 0.66 1.25 -2.23 0.00 0.00 178.31 178.95 1vke h LEU 106 N 0.54 1.11 -0.95 0.59 5.85 -0.76 -1.17 115.31 120.52 1vke h LEU 106 Ca 0.07 -0.02 -0.04 0.00 0.84 0.00 0.00 57.88 58.73 1vke h LEU 106 Cb 0.79 -0.26 -0.03 0.00 0.37 0.00 0.00 40.66 41.53 1vke h LEU 106 CO 0.06 0.77 0.26 -0.33 -0.34 0.00 0.00 178.44 178.87 1vke h GLU 107 N 1.30 1.03 -0.54 1.25 5.08 -0.87 -0.47 114.58 121.36 1vke h GLU 107 Ca 0.39 -0.18 -0.01 0.00 -1.00 0.00 0.00 59.36 58.56 1vke h GLU 107 Cb -0.04 -0.17 -0.03 0.00 0.50 0.00 0.00 28.75 29.01 1vke h GLU 107 CO -0.11 0.84 0.29 0.93 -1.00 0.00 0.00 179.01 179.97 1vke h GLU 108 N 1.00 0.75 -0.58 2.33 5.08 -0.67 -0.91 114.58 121.58 1vke h GLU 108 Ca 0.23 -0.09 -0.06 0.00 -1.00 0.00 0.00 59.36 58.44 1vke h GLU 108 Cb 0.21 -0.15 -0.03 0.00 0.50 0.00 0.00 28.75 29.29 1vke h GLU 108 CO -0.02 0.58 0.10 -0.07 -1.00 0.00 0.00 179.01 178.60 1vke h LEU 109 N 0.72 0.87 -0.82 1.33 3.38 -0.71 -1.44 115.31 118.65 1vke h LEU 109 Ca 0.19 -0.18 -0.12 0.00 0.09 0.00 0.00 57.88 57.85 1vke h LEU 109 Cb 0.05 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.56 1vke h LEU 109 CO -0.03 0.88 -0.47 0.03 0.09 0.00 0.00 178.44 178.93 1vke h ARG 110 N 0.87 0.27 -0.38 1.13 2.47 -0.84 0.09 114.38 118.00 1vke h ARG 110 Ca 0.18 -0.15 -0.04 0.00 -1.26 0.00 0.00 59.98 58.71 1vke h ARG 110 Cb 0.38 0.01 -0.02 0.00 -1.65 0.00 0.00 29.97 28.69 1vke h ARG 110 CO 0.01 0.69 0.07 1.49 0.56 0.00 0.00 179.97 182.79 1vke h GLU 111 N 0.22 0.63 -0.37 0.04 4.81 -0.86 0.62 114.58 119.66 1vke h GLU 111 Ca 0.01 -0.17 0.04 0.00 -0.13 0.00 0.00 59.36 59.12 1vke h GLU 111 Cb 0.92 -0.08 -0.04 0.00 0.63 0.00 0.00 28.75 30.19 1vke h GLU 111 CO 0.08 0.68 0.13 0.52 -0.73 0.00 0.00 179.01 179.69 1vke h MET 112 N 0.48 0.28 -0.05 1.92 2.86 -0.91 -1.17 114.93 118.34 1vke h MET 112 Ca 0.12 -0.02 0.02 0.00 -2.06 0.00 0.00 59.70 57.76 1vke h MET 112 Cb 0.35 -0.06 -0.02 0.00 0.06 0.00 0.00 31.60 31.93 1vke h MET 112 CO 0.01 0.19 -0.06 1.49 1.06 0.00 0.00 176.91 179.59 1vke h GLU 113 N 0.29 -0.09 -0.79 1.72 4.81 -0.78 -0.64 114.58 119.11 1vke h GLU 113 Ca 0.17 0.01 0.12 0.00 -0.13 0.00 0.00 59.36 59.53 1vke h GLU 113 Cb 0.14 0.02 -0.09 0.00 0.63 0.00 0.00 28.75 29.46 1vke h GLU 113 CO -0.17 -0.06 0.39 -0.22 -0.73 0.00 0.00 179.01 178.22 1vke h LYS 114 N -0.09 0.58 -0.00 1.92 3.64 -0.71 -1.82 116.57 120.08 1vke h LYS 114 Ca 0.05 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.39 1vke h LYS 114 Cb 0.15 -0.13 0.00 0.00 -0.41 0.00 0.00 32.23 31.84 1vke h LYS 114 CO -0.11 0.38 0.00 0.09 -2.27 0.00 0.00 179.45 177.54 1vke n ASN 115 N -4.89 0.24 -1.07 4.20 3.02 -0.46 -4.91 115.26 111.40 1vke n ASN 115 Ca 0.14 -1.11 -0.11 0.00 -0.03 0.00 0.00 54.58 53.48 1vke n ASN 115 Cb 0.37 -0.00 -0.02 0.00 -0.61 0.00 0.00 39.78 39.52 1vke n ASN 115 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1vke n GLY 116 N 1.01 0.38 3.68 7.41 0.00 -0.58 -5.00 105.19 112.10 1vke n GLY 116 Ca 0.22 -0.48 -0.39 0.00 0.00 0.00 0.00 46.02 45.38 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 -3.95 4.22 0.27 1.61 2.02 -0.35 -5.03 118.70 117.48 1vke s GLU 117 Ca 0.00 0.35 -0.30 0.00 0.02 0.00 0.00 54.97 55.04 1vke s GLU 117 Cb 0.00 -3.53 -0.10 0.00 0.10 0.00 0.00 34.13 30.60 1vke s GLU 117 CO 0.00 -0.05 1.45 0.99 0.02 0.00 0.00 175.26 177.67 1vke s THR 118 N 1.31 2.56 -0.37 3.63 2.01 -1.26 -4.38 115.64 119.14 1vke s THR 118 Ca 0.23 0.48 -0.12 0.00 0.31 0.00 0.00 61.69 62.58 1vke s THR 118 Cb -0.15 -3.30 0.01 0.00 0.01 0.00 0.00 72.50 69.07 1vke s THR 118 CO 0.09 0.08 0.23 -0.63 -0.69 0.00 0.00 174.62 173.70 1vke s ILE 119 N -0.15 4.92 0.00 1.82 1.01 -1.26 -5.06 121.20 122.49 1vke s ILE 119 Ca 0.59 -0.60 -0.04 0.00 0.00 0.00 0.00 60.65 60.59 1vke s ILE 119 Cb -0.43 -3.67 -0.00 0.00 0.01 0.00 0.00 42.46 38.37 1vke s ILE 119 CO 0.46 -0.17 0.07 -0.94 0.00 0.00 0.00 174.94 174.36 1vke s SER 120 N 1.63 0.08 0.00 3.58 1.04 -1.26 -5.02 113.70 113.75 1vke s SER 120 Ca 0.04 -0.24 0.25 0.00 0.48 0.00 0.00 55.95 56.47 1vke s SER 120 Cb -0.18 0.16 0.33 0.00 0.10 0.00 0.00 66.02 66.43 1vke s SER 120 CO 0.08 -0.28 1.34 0.18 0.98 0.00 0.00 173.24 175.54