#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1vke h TYR 3 N 0.00 0.18 -0.63 -1.84 3.20 -1.99 -3.30 116.97 112.59 1vke h TYR 3 Ca 0.00 -0.13 0.06 0.00 3.14 0.00 0.00 58.73 61.80 1vke h TYR 3 Cb 0.00 -0.01 -0.05 0.00 1.54 0.00 0.00 36.73 38.21 1vke h TYR 3 CO 0.00 1.54 0.34 0.87 -1.64 0.00 0.00 178.16 179.27 1vke h LYS 4 N -0.66 0.61 -0.45 1.82 6.56 -2.00 -0.33 116.57 122.12 1vke h LYS 4 Ca -0.34 -0.04 -0.04 0.00 -1.06 0.00 0.00 60.65 59.17 1vke h LYS 4 Cb 1.52 -0.14 -0.02 0.00 -0.57 0.00 0.00 32.23 33.02 1vke h LYS 4 CO -0.09 0.41 0.11 1.57 -2.06 0.00 0.00 179.45 179.38 1vke h LYS 5 N 0.63 0.68 -0.45 3.15 5.09 -2.01 -2.16 116.57 121.49 1vke h LYS 5 Ca 0.28 -0.12 -0.06 0.00 0.09 0.00 0.00 60.65 60.84 1vke h LYS 5 Cb 0.18 -0.11 -0.02 0.00 0.10 0.00 0.00 32.23 32.39 1vke h LYS 5 CO -0.18 0.62 0.06 0.35 -2.09 0.00 0.00 179.45 178.21 1vke h PHE 6 N 0.66 0.82 -0.16 0.07 3.57 -1.18 -2.66 116.94 118.05 1vke h PHE 6 Ca 0.15 -0.12 -0.01 0.00 3.53 0.00 0.00 57.97 61.52 1vke h PHE 6 Cb 0.25 -0.22 -0.01 0.00 2.79 0.00 0.00 35.95 38.76 1vke h PHE 6 CO 0.01 0.77 0.06 0.28 -2.23 0.00 0.00 178.31 177.20 1vke h VAL 7 N 0.62 1.17 -0.30 1.41 2.07 -0.64 -2.40 116.25 118.19 1vke h VAL 7 Ca 0.14 -0.52 -0.09 0.00 0.82 0.00 0.00 66.70 67.05 1vke h VAL 7 Cb 0.41 1.21 -0.02 0.00 -1.52 0.00 0.00 31.29 31.37 1vke h VAL 7 CO 0.01 0.16 -0.19 -0.33 0.02 0.00 0.00 177.57 177.24 1vke h GLU 8 N 0.10 0.55 -0.19 1.57 3.07 -1.38 -0.49 114.58 117.80 1vke h GLU 8 Ca 0.05 -0.19 -0.16 0.00 -0.50 0.00 0.00 59.36 58.56 1vke h GLU 8 Cb 0.20 -0.04 -0.01 0.00 -0.84 0.00 0.00 28.75 28.06 1vke h GLU 8 CO -0.00 0.72 -0.55 0.00 -1.40 0.00 0.00 179.01 177.78 1vke h ALA 9 N 1.30 0.68 -0.12 3.43 0.00 -1.42 -0.63 119.26 122.50 1vke h ALA 9 Ca 0.08 -0.51 -0.01 0.00 0.00 0.00 0.00 54.91 54.47 1vke h ALA 9 Cb 0.61 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.32 1vke h ALA 9 CO 0.04 0.69 0.03 -0.09 0.00 0.00 0.00 179.25 179.92 1vke h ARG 10 N 0.44 0.20 -0.32 0.00 2.43 -1.14 -1.95 114.38 114.05 1vke h ARG 10 Ca 0.01 -0.05 0.07 0.00 -0.81 0.00 0.00 59.98 59.20 1vke h ARG 10 Cb 1.09 -0.03 -0.07 0.00 -0.42 0.00 0.00 29.97 30.55 1vke h ARG 10 CO 0.10 0.37 -0.13 0.00 -1.51 0.00 0.00 179.97 178.80 1vke h ARG 11 N -0.00 -0.07 -0.40 0.20 3.08 -0.92 -1.49 114.38 114.77 1vke h ARG 11 Ca 0.04 0.01 -0.11 0.00 0.07 0.00 0.00 59.98 59.99 1vke h ARG 11 Cb 0.26 0.02 -0.02 0.00 0.08 0.00 0.00 29.97 30.31 1vke h ARG 11 CO 0.00 -0.05 -0.19 1.05 -1.07 0.00 0.00 179.97 179.71 1vke h GLU 12 N -0.08 0.77 0.02 0.04 9.09 -1.03 -1.70 114.58 121.69 1vke h GLU 12 Ca 0.16 -0.29 -0.00 0.00 0.05 0.00 0.00 59.36 59.28 1vke h GLU 12 Cb 0.32 -0.04 0.00 0.00 -1.65 0.00 0.00 28.75 27.38 1vke h GLU 12 CO -0.37 0.90 -0.01 1.37 0.05 0.00 0.00 179.01 180.95 1vke h LEU 13 N 0.68 -0.02 -1.19 3.06 -0.00 -0.96 0.07 115.31 116.95 1vke h LEU 13 Ca 0.10 -0.14 -0.01 0.00 -0.00 0.00 0.00 57.88 57.83 1vke h LEU 13 Cb 0.69 0.01 -0.03 0.00 -0.00 0.00 0.00 40.66 41.32 1vke h LEU 13 CO 0.05 0.13 0.42 0.78 -0.00 0.00 0.00 178.44 179.82 1vke h ASN 14 N -0.17 0.86 -0.80 0.17 2.35 -1.14 0.35 115.58 117.21 1vke h ASN 14 Ca -0.00 -0.05 -0.01 0.00 -0.55 0.00 0.00 56.30 55.68 1vke h ASN 14 Cb 0.16 -0.22 -0.04 0.00 0.05 0.00 0.00 38.32 38.27 1vke h ASN 14 CO 0.00 0.67 0.46 -0.33 -1.65 0.00 0.00 177.43 176.59 1vke h GLU 15 N 0.99 1.11 -0.18 0.81 4.39 -1.05 -2.92 114.58 117.74 1vke h GLU 15 Ca 0.26 -0.11 -0.09 0.00 0.34 0.00 0.00 59.36 59.75 1vke h GLU 15 Cb -0.02 -0.23 -0.00 0.00 -0.10 0.00 0.00 28.75 28.40 1vke h GLU 15 CO -0.05 0.80 -0.25 -0.22 -1.16 0.00 0.00 179.01 178.13 1vke h LYS 16 N 1.12 0.48 -1.43 2.33 1.63 0.10 0.48 116.57 121.28 1vke h LYS 16 Ca 0.29 -0.28 0.00 0.00 -0.85 0.00 0.00 60.65 59.81 1vke h LYS 16 Cb -0.01 0.02 0.00 0.00 -0.60 0.00 0.00 32.23 31.64 1vke h LYS 16 CO -0.05 0.87 0.00 0.28 -3.45 0.00 0.00 179.45 177.10 1vke n VAL 17 N -4.41 0.00 0.00 2.00 0.31 0.10 0.23 118.33 116.56 1vke n VAL 17 Ca -0.06 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.27 1vke n VAL 17 Cb 0.44 -0.35 0.00 0.00 -0.91 0.00 0.00 33.84 33.02 1vke n VAL 17 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 1vke n SER 19 N 0.85 0.00 -0.12 4.52 3.41 0.17 -1.72 113.62 120.73 1vke n SER 19 Ca 0.00 0.00 0.14 0.00 -0.26 0.00 0.00 58.87 58.75 1vke n SER 19 Cb 0.00 0.00 0.63 0.00 -0.26 0.00 0.00 64.21 64.58 1vke n SER 19 CO 0.00 0.00 0.00 -2.11 -0.16 0.00 0.00 175.04 172.77 1vke n ARG 20 N 0.00 0.72 -1.67 4.33 0.00 0.62 -4.94 116.66 115.72 1vke n ARG 20 Ca 0.00 -0.24 -0.34 0.00 -0.00 0.00 0.00 57.85 57.28 1vke n ARG 20 Cb 0.00 -1.50 0.06 0.00 -0.00 0.00 0.00 32.46 31.03 1vke n ARG 20 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.63 177.83 1vke s GLY 21 N -2.44 2.25 0.87 2.89 0.00 -0.70 -5.03 107.32 105.15 1vke s GLY 21 Ca 0.30 0.68 -0.12 0.00 0.00 0.00 0.00 44.72 45.57 1vke s GLY 21 CO 0.47 1.05 1.16 -0.51 0.00 0.00 0.00 173.10 175.26 1vke s THR 22 N -2.18 2.00 0.40 0.90 -4.23 -1.26 -4.87 115.64 106.39 1vke s THR 22 Ca 0.70 0.00 0.09 0.00 -1.18 0.00 0.00 61.69 61.30 1vke s THR 22 Cb -0.24 -2.86 0.30 0.00 1.34 0.00 0.00 72.50 71.05 1vke s THR 22 CO 0.42 0.00 1.98 -0.07 -0.54 0.00 0.00 174.62 176.41 1vke h LEU 23 N -1.32 0.52 -0.60 4.79 3.38 -1.98 -1.85 115.31 118.25 1vke h LEU 23 Ca -0.48 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.43 1vke h LEU 23 Cb 1.33 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 41.95 1vke h LEU 23 CO 0.63 0.34 0.14 0.78 0.09 0.00 0.00 178.44 180.42 1vke h ASN 24 N 0.60 0.92 -0.42 -0.43 2.35 -1.99 -1.38 115.58 115.22 1vke h ASN 24 Ca 0.27 -0.24 -0.02 0.00 -0.55 0.00 0.00 56.30 55.76 1vke h ASN 24 Cb 0.30 -0.24 -0.02 0.00 0.05 0.00 0.00 38.32 38.41 1vke h ASN 24 CO -0.08 0.92 0.18 0.74 -1.65 0.00 0.00 177.43 177.54 1vke h THR 25 N 0.88 1.19 -0.70 2.81 2.02 -1.73 -1.46 112.91 115.92 1vke h THR 25 Ca 0.19 -0.57 -0.04 0.00 0.77 0.00 0.00 66.41 66.76 1vke h THR 25 Cb 0.36 0.79 -0.03 0.00 -1.74 0.00 0.00 68.15 67.53 1vke h THR 25 CO 0.00 0.21 0.29 0.11 0.37 0.00 0.00 175.52 176.50 1vke h LYS 26 N 0.54 1.04 -0.54 6.66 1.57 -1.22 -1.39 116.57 123.23 1vke h LYS 26 Ca 0.14 -0.19 0.01 0.00 -1.87 0.00 0.00 60.65 58.75 1vke h LYS 26 Cb 0.16 -0.17 -0.03 0.00 0.08 0.00 0.00 32.23 32.27 1vke h LYS 26 CO -0.01 0.86 0.35 0.00 -0.57 0.00 0.00 179.45 180.07 1vke h ARG 27 N 1.00 0.68 -0.23 3.15 -0.00 -1.09 -1.66 114.38 116.23 1vke h ARG 27 Ca 0.23 -0.04 -0.00 0.00 -0.50 0.00 0.00 59.98 59.67 1vke h ARG 27 Cb 0.20 -0.15 -0.01 0.00 0.00 0.00 0.00 29.97 30.00 1vke h ARG 27 CO -0.02 0.45 0.14 0.35 0.00 0.00 0.00 179.97 180.89 1vke h PHE 28 N 0.70 0.30 -0.84 3.04 3.04 -0.80 -1.09 116.94 121.30 1vke h PHE 28 Ca 0.20 0.00 0.00 0.00 3.98 0.00 0.00 57.97 62.16 1vke h PHE 28 Cb -0.05 -0.10 -0.04 0.00 2.56 0.00 0.00 35.95 38.32 1vke h PHE 28 CO -0.04 0.22 0.54 0.74 -2.02 0.00 0.00 178.31 177.75 1vke h PHE 29 N 0.28 1.07 -0.49 0.41 -1.00 -1.10 -0.63 116.94 115.48 1vke h PHE 29 Ca 0.08 0.02 -0.11 0.00 2.81 0.00 0.00 57.97 60.77 1vke h PHE 29 Cb 0.01 -0.36 -0.02 0.00 3.61 0.00 0.00 35.95 39.19 1vke h PHE 29 CO -0.05 0.68 -0.11 -0.97 -1.61 0.00 0.00 178.31 176.25 1vke h ASN 30 N 1.14 0.91 -0.66 2.17 -0.73 -0.99 -2.32 115.58 115.11 1vke h ASN 30 Ca 0.30 -0.29 -0.08 0.00 1.87 0.00 0.00 56.30 58.10 1vke h ASN 30 Cb -0.10 -0.25 -0.03 0.00 0.27 0.00 0.00 38.32 38.21 1vke h ASN 30 CO -0.06 1.04 0.12 -0.07 -0.37 0.00 0.00 177.43 178.08 1vke h LEU 31 N 0.82 1.05 -0.96 0.34 3.38 -0.52 0.13 115.31 119.55 1vke h LEU 31 Ca 0.13 -0.24 0.06 0.00 0.09 0.00 0.00 57.88 57.91 1vke h LEU 31 Cb 0.65 -0.28 -0.06 0.00 0.09 0.00 0.00 40.66 41.05 1vke h LEU 31 CO 0.04 1.03 0.62 -0.78 0.09 0.00 0.00 178.44 179.45 1vke h ASP 32 N 1.03 1.00 -0.17 -0.43 3.58 -0.89 -1.68 116.42 118.86 1vke h ASP 32 Ca 0.20 0.01 -0.16 0.00 0.42 0.00 0.00 57.03 57.50 1vke h ASP 32 Cb 0.43 -0.21 0.00 0.00 1.72 0.00 0.00 39.33 41.27 1vke h ASP 32 CO 0.01 0.65 -0.53 0.28 -2.88 0.00 0.00 179.24 176.77 1vke h SER 33 N 1.14 0.75 -0.96 2.28 0.02 -1.06 -3.32 113.55 112.40 1vke h SER 33 Ca 0.41 -0.60 0.04 0.00 -0.84 0.00 0.00 61.79 60.80 1vke h SER 33 Cb 0.13 -0.22 -0.06 0.00 0.14 0.00 0.00 62.40 62.39 1vke h SER 33 CO -0.16 1.22 0.63 0.00 -1.14 0.00 0.00 176.83 177.37 1vke h ALA 34 N 0.55 1.28 0.00 3.77 0.00 -0.46 -2.74 119.26 121.66 1vke h ALA 34 Ca -0.02 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.85 1vke h ALA 34 Cb 1.15 -0.34 0.00 0.00 0.00 0.00 0.00 17.79 18.61 1vke h ALA 34 CO 0.11 0.50 0.00 1.33 0.00 0.00 0.00 179.25 181.19 1vke n VAL 35 N -4.48 0.95 1.03 0.00 0.24 -0.68 -1.70 118.33 113.70 1vke n VAL 35 Ca 0.13 0.35 0.12 0.00 -2.04 0.00 0.00 64.34 62.90 1vke n VAL 35 Cb 0.10 -1.28 0.08 0.00 -1.47 0.00 0.00 33.84 31.27 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 -2.12 0.00 -2.23 6.34 4.01 -1.03 -4.95 117.16 117.18 1vke n TYR 36 Ca 0.01 0.00 -0.38 0.00 -0.16 0.00 0.00 57.90 57.38 1vke n TYR 36 Cb 0.17 -0.01 -0.01 0.00 -0.31 0.00 0.00 39.34 39.19 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 -2.24 3.80 0.53 -0.72 0.52 -0.69 -4.76 118.95 115.39 1vke s ARG 37 Ca 0.24 1.84 -0.20 0.00 -0.52 0.00 0.00 55.73 57.08 1vke s ARG 37 Cb 0.19 -2.48 -0.06 0.00 0.52 0.00 0.00 34.95 33.12 1vke s ARG 37 CO 0.44 -0.53 1.15 -1.25 0.02 0.00 0.00 175.30 175.12 1vke s PRO 38 N -2.59 3.42 0.00 3.54 0.04 -1.26 -4.93 135.00 133.22 1vke s PRO 38 Ca 0.62 1.68 0.00 0.00 0.04 0.00 0.00 61.00 63.34 1vke s PRO 38 Cb -0.30 -2.10 0.00 0.00 0.04 0.00 0.00 34.50 32.14 1vke s PRO 38 CO 0.37 -0.81 0.00 0.41 0.04 0.00 0.00 177.00 177.01 1vke n GLY 39 N 0.26 4.44 0.21 0.56 0.00 -1.26 -4.96 105.19 104.44 1vke n GLY 39 Ca 0.11 -0.54 0.07 0.00 0.00 0.00 0.00 46.02 45.65 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 -5.74 1.61 1.79 -2.05 -3.40 116.57 108.78 1vke h LYS 40 Ca 0.00 0.00 -0.61 0.00 -2.18 0.00 0.00 60.65 57.86 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 0.31 -0.29 -0.51 -1.08 0.00 0.00 179.45 177.88 1vke s LEU 41 N -7.37 4.36 0.75 2.94 1.43 -1.26 -5.09 118.68 114.44 1vke s LEU 41 Ca -0.01 0.71 -0.11 0.00 -1.03 0.00 0.00 54.13 53.68 1vke s LEU 41 Cb 0.12 -2.43 0.05 0.00 0.03 0.00 0.00 46.19 43.96 1vke s LEU 41 CO 0.67 0.24 1.13 1.51 0.23 0.00 0.00 176.35 180.12 1vke s ASP 42 N -0.39 4.95 0.21 2.29 1.47 -1.26 -4.54 116.67 119.39 1vke s ASP 42 Ca 0.20 0.91 -0.08 0.00 1.18 0.00 0.00 52.55 54.76 1vke s ASP 42 Cb -0.14 -1.55 0.15 0.00 -0.34 0.00 0.00 42.92 41.04 1vke s ASP 42 CO 0.08 -1.63 1.75 0.58 0.68 0.00 0.00 175.17 176.63 1vke h VAL 43 N -0.84 1.26 -0.72 2.11 2.07 -1.92 -1.06 116.25 117.15 1vke h VAL 43 Ca -0.45 -0.92 0.03 0.00 0.82 0.00 0.00 66.70 66.18 1vke h VAL 43 Cb 1.29 0.45 -0.05 0.00 -1.52 0.00 0.00 31.29 31.47 1vke h VAL 43 CO 0.65 0.36 0.45 0.50 0.02 0.00 0.00 177.57 179.55 1vke h LYS 44 N 1.10 0.86 -0.17 1.57 3.64 -1.94 0.73 116.57 122.36 1vke h LYS 44 Ca 0.24 -0.05 -0.00 0.00 -1.27 0.00 0.00 60.65 59.56 1vke h LYS 44 Cb 0.31 -0.19 -0.01 0.00 -0.41 0.00 0.00 32.23 31.93 1vke h LYS 44 CO -0.01 0.57 0.09 1.15 -2.27 0.00 0.00 179.45 178.98 1vke h THR 45 N 0.88 1.11 -0.72 1.00 2.02 -1.85 -0.68 112.91 114.68 1vke h THR 45 Ca 0.29 -0.31 -0.06 0.00 0.77 0.00 0.00 66.41 67.10 1vke h THR 45 Cb 0.02 1.00 -0.03 0.00 -1.74 0.00 0.00 68.15 67.41 1vke h THR 45 CO -0.11 0.11 0.20 0.11 0.37 0.00 0.00 175.52 176.19 1vke h LYS 46 N 0.17 1.13 -0.30 6.66 1.57 -0.65 -1.08 116.57 124.07 1vke h LYS 46 Ca 0.06 -0.26 -0.10 0.00 -1.87 0.00 0.00 60.65 58.48 1vke h LYS 46 Cb 0.09 -0.16 -0.01 0.00 0.08 0.00 0.00 32.23 32.23 1vke h LYS 46 CO -0.01 0.98 -0.24 0.93 -0.57 0.00 0.00 179.45 180.54 1vke h GLU 47 N 1.08 0.58 -0.64 3.15 4.39 -0.66 0.23 114.58 122.69 1vke h GLU 47 Ca 0.23 -0.22 -0.06 0.00 0.34 0.00 0.00 59.36 59.65 1vke h GLU 47 Cb 0.34 -0.03 -0.03 0.00 -0.10 0.00 0.00 28.75 28.93 1vke h GLU 47 CO -0.00 0.77 0.18 -0.07 -1.16 0.00 0.00 179.01 178.73 1vke h LEU 48 N 0.51 0.93 -0.65 1.33 3.38 -0.88 -0.66 115.31 119.27 1vke h LEU 48 Ca 0.07 -0.17 -0.05 0.00 0.09 0.00 0.00 57.88 57.82 1vke h LEU 48 Cb 0.69 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 41.17 1vke h LEU 48 CO 0.05 0.88 0.22 0.24 0.09 0.00 0.00 178.44 179.92 1vke h MET 49 N 0.96 1.00 -0.87 1.13 2.86 -0.69 -1.06 114.93 118.26 1vke h MET 49 Ca 0.21 -0.21 0.06 0.00 -2.06 0.00 0.00 59.70 57.70 1vke h MET 49 Cb 0.30 -0.15 -0.06 0.00 0.06 0.00 0.00 31.60 31.75 1vke h MET 49 CO -0.00 0.86 0.54 0.78 1.06 0.00 0.00 176.91 180.15 1vke h GLY 50 N 0.93 1.31 0.90 8.32 0.00 -0.63 -0.55 103.07 113.34 1vke h GLY 50 Ca 0.21 -0.39 -0.01 0.00 0.00 0.00 0.00 47.33 47.14 1vke h GLY 50 CO -0.01 0.28 0.09 -2.00 0.00 0.00 0.00 176.54 174.89 1vke h LEU 51 N 0.99 0.27 -0.01 3.11 5.85 -0.66 -0.27 115.31 124.60 1vke h LEU 51 Ca 0.38 -0.15 0.01 0.00 0.84 0.00 0.00 57.88 58.96 1vke h LEU 51 Cb 0.16 -0.07 -0.01 0.00 0.37 0.00 0.00 40.66 41.10 1vke h LEU 51 CO -0.17 0.35 -0.05 0.58 -0.34 0.00 0.00 178.44 178.81 1vke h VAL 52 N 0.18 0.87 -0.54 1.05 2.07 -0.87 -0.42 116.25 118.59 1vke h VAL 52 Ca 0.07 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.59 1vke h VAL 52 Cb 0.15 0.87 -0.03 0.00 -1.52 0.00 0.00 31.29 30.76 1vke h VAL 52 CO -0.01 0.00 0.33 0.00 0.02 0.00 0.00 177.57 177.92 1vke h ALA 53 N 0.92 0.68 -0.12 1.67 0.00 -1.00 -1.72 119.26 119.69 1vke h ALA 53 Ca 0.02 -0.06 -0.08 0.00 0.00 0.00 0.00 54.91 54.80 1vke h ALA 53 Cb 0.12 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 1vke h ALA 53 CO -0.06 0.15 -0.27 0.77 0.00 0.00 0.00 179.25 179.84 1vke h SER 54 N 0.72 0.23 -0.02 0.00 0.02 -0.86 -2.17 113.55 111.46 1vke h SER 54 Ca 0.19 -0.07 -0.08 0.00 -0.84 0.00 0.00 61.79 61.00 1vke h SER 54 Cb -0.04 -0.06 0.01 0.00 0.14 0.00 0.00 62.40 62.45 1vke h SER 54 CO -0.04 0.50 -0.28 0.74 -1.14 0.00 0.00 176.83 176.61 1vke h THR 55 N 0.20 1.49 0.00 -2.27 2.02 -0.70 -1.52 112.91 112.13 1vke h THR 55 Ca 0.03 -1.85 -0.05 0.00 0.77 0.00 0.00 66.41 65.31 1vke h THR 55 Cb 0.59 2.59 -0.01 0.00 -1.74 0.00 0.00 68.15 69.58 1vke h THR 55 CO 0.04 0.51 -0.26 -0.37 0.37 0.00 0.00 175.52 175.82 1vke h VAL 56 N -0.36 0.92 -0.01 3.16 -1.51 -1.28 -1.74 116.25 115.43 1vke h VAL 56 Ca -0.03 -0.98 0.00 0.00 -1.23 0.00 0.00 66.70 64.46 1vke h VAL 56 Cb 0.99 1.57 0.00 0.00 -2.13 0.00 0.00 31.29 31.72 1vke h VAL 56 CO 0.06 0.25 -0.05 0.18 -1.23 0.00 0.00 177.57 176.78 1vke n LEU 57 N -3.85 1.22 -3.32 4.19 4.77 -0.82 -4.89 117.00 114.29 1vke n LEU 57 Ca -0.02 -0.38 -0.16 0.00 -0.03 0.00 0.00 56.01 55.42 1vke n LEU 57 Cb 0.35 -0.03 0.09 0.00 -2.33 0.00 0.00 43.42 41.49 1vke n LEU 57 CO 0.35 0.21 0.11 0.54 -1.33 0.00 0.00 177.39 177.27 1vke n ARG 58 N -0.15 -6.37 -3.68 3.23 1.74 -0.66 -4.99 116.66 105.78 1vke n ARG 58 Ca 0.18 0.81 -0.38 0.00 -0.77 0.00 0.00 57.85 57.68 1vke n ARG 58 Cb 0.33 -5.71 -0.11 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 8.26 0.55 0.10 0.00 3.32 -1.94 -0.19 116.42 126.51 1vke h ASP 60 Ca -0.19 -0.07 -0.08 0.00 0.02 0.00 0.00 57.03 56.71 1vke h ASP 60 Cb 1.07 -0.14 -0.01 0.00 0.22 0.00 0.00 39.33 40.47 1vke h ASP 60 CO 0.73 0.46 -0.26 0.44 -1.72 0.00 0.00 179.24 178.89 1vke h ASP 61 N 0.59 0.27 -0.34 6.45 3.32 -1.98 -0.99 116.42 123.75 1vke h ASP 61 Ca 0.16 -0.08 -0.14 0.00 0.02 0.00 0.00 57.03 56.99 1vke h ASP 61 Cb 0.02 -0.07 -0.01 0.00 0.22 0.00 0.00 39.33 39.49 1vke h ASP 61 CO -0.03 0.54 -0.33 0.00 -1.72 0.00 0.00 179.24 177.70 1vke h ILE 63 N 0.60 0.87 -0.47 0.00 2.04 -0.76 -1.25 117.51 118.54 1vke h ILE 63 Ca 0.05 -0.03 0.05 0.00 1.00 0.00 0.00 64.86 65.93 1vke h ILE 63 Cb 0.92 0.77 -0.04 0.00 -0.74 0.00 0.00 36.82 37.72 1vke h ILE 63 CO 0.08 0.02 0.21 0.03 0.00 0.00 0.00 178.15 178.49 1vke h ARG 64 N 0.09 0.41 0.16 2.37 3.08 -1.09 -0.00 114.38 119.40 1vke h ARG 64 Ca 0.10 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.13 1vke h ARG 64 Cb 0.12 -0.09 -0.01 0.00 0.08 0.00 0.00 29.97 30.06 1vke h ARG 64 CO -0.16 0.27 -0.14 -0.92 -1.07 0.00 0.00 179.97 177.96 1vke h TYR 65 N 0.43 -0.36 0.00 3.04 3.20 -1.07 -1.23 116.97 120.98 1vke h TYR 65 Ca 0.21 0.00 -0.09 0.00 3.14 0.00 0.00 58.73 62.00 1vke h TYR 65 Cb 0.15 0.14 -0.01 0.00 1.54 0.00 0.00 36.73 38.55 1vke h TYR 65 CO -0.12 -0.21 -0.41 0.45 -1.64 0.00 0.00 178.16 176.22 1vke h HIS 66 N -0.32 0.00 -0.34 -3.82 3.86 -1.00 -2.25 115.15 111.28 1vke h HIS 66 Ca -0.00 0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 59.19 1vke h HIS 66 Cb 0.29 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 28.75 1vke h HIS 66 CO -0.12 0.41 0.16 -0.07 0.86 0.00 0.00 177.93 179.18 1vke h LEU 67 N 0.00 0.45 -0.34 2.43 3.38 -0.69 0.15 115.31 120.69 1vke h LEU 67 Ca -0.00 -0.13 0.06 0.00 0.09 0.00 0.00 57.88 57.89 1vke h LEU 67 Cb 0.74 -0.12 -0.05 0.00 0.09 0.00 0.00 40.66 41.32 1vke h LEU 67 CO 0.05 0.46 0.01 0.58 0.09 0.00 0.00 178.44 179.63 1vke h VAL 68 N 0.41 0.77 -0.67 1.22 2.07 -0.79 -1.09 116.25 118.17 1vke h VAL 68 Ca 0.12 -0.04 -0.08 0.00 0.82 0.00 0.00 66.70 67.52 1vke h VAL 68 Cb 0.13 0.65 -0.03 0.00 -1.52 0.00 0.00 31.29 30.52 1vke h VAL 68 CO -0.01 0.02 0.10 0.03 0.02 0.00 0.00 177.57 177.73 1vke h ARG 69 N 0.11 1.11 -0.35 1.57 2.47 -1.16 0.18 114.38 118.31 1vke h ARG 69 Ca 0.16 -0.30 0.01 0.00 -1.26 0.00 0.00 59.98 58.59 1vke h ARG 69 Cb 0.21 -0.13 -0.02 0.00 -1.65 0.00 0.00 29.97 28.39 1vke h ARG 69 CO -0.26 1.02 0.23 0.00 0.56 0.00 0.00 179.97 181.52 1vke h VAL 71 N 0.46 1.10 -0.78 0.00 2.07 -0.91 -0.43 116.25 117.76 1vke h VAL 71 Ca 0.13 -0.20 0.07 0.00 0.82 0.00 0.00 66.70 67.52 1vke h VAL 71 Cb -0.04 0.66 -0.05 0.00 -1.52 0.00 0.00 31.29 30.34 1vke h VAL 71 CO -0.04 0.09 0.51 1.56 0.02 0.00 0.00 177.57 179.71 1vke h GLN 72 N 0.42 0.77 -0.33 1.57 4.20 -0.67 -1.09 115.11 119.98 1vke h GLN 72 Ca 0.12 -0.05 0.00 0.00 0.06 0.00 0.00 58.65 58.78 1vke h GLN 72 Cb -0.02 -0.17 0.00 0.00 0.30 0.00 0.00 27.48 27.58 1vke h GLN 72 CO -0.02 0.51 0.00 0.39 -0.67 0.00 0.00 178.83 179.04 1vke n GLU 73 N -4.49 1.75 -0.75 1.46 -0.58 -0.25 -4.91 120.64 112.88 1vke n GLU 73 Ca 0.12 -1.14 0.00 0.00 -0.42 0.00 0.00 57.16 55.72 1vke n GLU 73 Cb 0.25 -1.26 0.00 0.00 -0.57 0.00 0.00 31.44 29.86 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 0.98 0.56 3.77 0.62 0.00 -0.41 -4.81 105.19 105.90 1vke n GLY 74 Ca 0.11 -0.60 -0.40 0.00 0.00 0.00 0.00 46.02 45.13 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 3.33 0.50 4.61 0.00 -0.21 -5.02 121.76 122.98 1vke s ALA 75 Ca 0.00 1.26 -0.06 0.00 0.00 0.00 0.00 51.96 53.16 1vke s ALA 75 Cb 0.00 -3.49 -0.04 0.00 0.00 0.00 0.00 23.12 19.59 1vke s ALA 75 CO 0.00 -0.80 0.83 -1.54 0.00 0.00 0.00 175.76 174.25 1vke s SER 76 N -0.64 6.27 0.29 0.00 1.04 -1.26 -4.66 113.70 114.73 1vke s SER 76 Ca 0.55 1.02 -0.00 0.00 0.48 0.00 0.00 55.95 58.00 1vke s SER 76 Cb -0.39 -2.29 0.49 0.00 0.10 0.00 0.00 66.02 63.93 1vke s SER 76 CO 0.51 -0.62 1.89 0.44 0.98 0.00 0.00 173.24 176.44 1vke h ASP 77 N 0.17 0.96 -0.52 7.02 3.32 -1.99 -1.15 116.42 124.23 1vke h ASP 77 Ca -0.46 0.01 0.03 0.00 0.02 0.00 0.00 57.03 56.63 1vke h ASP 77 Cb 1.20 -0.19 -0.04 0.00 0.22 0.00 0.00 39.33 40.52 1vke h ASP 77 CO 0.62 0.60 0.31 -0.08 -1.72 0.00 0.00 179.24 178.97 1vke h GLU 78 N 1.08 0.59 -0.26 3.56 4.81 -1.99 0.19 114.58 122.57 1vke h GLU 78 Ca 0.42 -0.04 -0.02 0.00 -0.13 0.00 0.00 59.36 59.60 1vke h GLU 78 Cb 0.22 -0.13 -0.01 0.00 0.63 0.00 0.00 28.75 29.46 1vke h GLU 78 CO -0.17 0.39 0.10 0.93 -0.73 0.00 0.00 179.01 179.53 1vke h GLU 79 N 0.61 0.39 -0.66 1.92 5.08 -1.79 -0.93 114.58 119.20 1vke h GLU 79 Ca 0.21 -0.08 0.02 0.00 -1.00 0.00 0.00 59.36 58.52 1vke h GLU 79 Cb 0.04 -0.06 -0.04 0.00 0.50 0.00 0.00 28.75 29.19 1vke h GLU 79 CO -0.10 0.44 0.42 0.82 -1.00 0.00 0.00 179.01 179.58 1vke h ILE 80 N 0.26 1.12 -0.26 3.13 2.04 -0.94 -2.02 117.51 120.86 1vke h ILE 80 Ca 0.09 -0.29 -0.10 0.00 1.00 0.00 0.00 64.86 65.56 1vke h ILE 80 Cb 0.20 0.21 -0.01 0.00 -0.74 0.00 0.00 36.82 36.47 1vke h ILE 80 CO -0.01 0.15 -0.26 -0.26 0.00 0.00 0.00 178.15 177.78 1vke h PHE 81 N 0.84 0.56 -0.47 1.37 0.04 -0.43 -0.14 116.94 118.71 1vke h PHE 81 Ca 0.25 -0.12 -0.07 0.00 2.80 0.00 0.00 57.97 60.83 1vke h PHE 81 Cb -0.03 -0.14 -0.02 0.00 2.20 0.00 0.00 35.95 37.96 1vke h PHE 81 CO -0.04 0.71 -0.01 0.93 -0.60 0.00 0.00 178.31 179.30 1vke h GLU 82 N 0.44 0.78 -0.32 1.51 5.08 -0.82 -0.32 114.58 120.92 1vke h GLU 82 Ca 0.06 -0.21 -0.09 0.00 -1.00 0.00 0.00 59.36 58.12 1vke h GLU 82 Cb 0.69 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.84 1vke h GLU 82 CO 0.05 0.80 -0.14 0.00 -1.00 0.00 0.00 179.01 178.71 1vke h ALA 83 N 1.26 0.45 -0.17 3.43 0.00 -1.00 -3.10 119.26 120.13 1vke h ALA 83 Ca 0.14 -0.33 -0.06 0.00 0.00 0.00 0.00 54.91 54.66 1vke h ALA 83 Cb 0.46 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 1vke h ALA 83 CO 0.02 0.34 -0.16 -0.07 0.00 0.00 0.00 179.25 179.38 1vke h LEU 84 N 0.42 0.26 -1.02 0.00 3.38 -0.63 -2.36 115.31 115.37 1vke h LEU 84 Ca 0.07 -0.06 -0.04 0.00 0.09 0.00 0.00 57.88 57.94 1vke h LEU 84 Cb 0.67 -0.07 -0.03 0.00 0.09 0.00 0.00 40.66 41.32 1vke h LEU 84 CO 0.04 0.45 0.25 0.44 0.09 0.00 0.00 178.44 179.72 1vke h ASP 85 N 0.26 0.88 -0.12 -0.43 3.32 -1.04 0.65 116.42 119.94 1vke h ASP 85 Ca 0.05 -0.12 -0.01 0.00 0.02 0.00 0.00 57.03 56.97 1vke h ASP 85 Cb 0.44 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 39.76 1vke h ASP 85 CO 0.03 0.79 0.05 0.40 -1.72 0.00 0.00 179.24 178.79 1vke h ILE 86 N 0.94 1.14 -0.64 0.35 2.04 -1.36 -1.39 117.51 118.59 1vke h ILE 86 Ca 0.22 -0.43 0.05 0.00 1.00 0.00 0.00 64.86 65.70 1vke h ILE 86 Cb 0.19 1.21 -0.05 0.00 -0.74 0.00 0.00 36.82 37.43 1vke h ILE 86 CO -0.02 0.13 0.36 0.00 0.00 0.00 0.00 178.15 178.62 1vke h ALA 87 N 0.89 0.84 -0.12 1.87 0.00 -1.10 -1.36 119.26 120.28 1vke h ALA 87 Ca 0.04 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.96 1vke h ALA 87 Cb 0.16 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 1vke h ALA 87 CO -0.00 0.05 0.07 1.25 0.00 0.00 0.00 179.25 180.62 1vke h LEU 88 N 0.68 0.16 -0.39 0.00 5.85 -0.70 0.59 115.31 121.50 1vke h LEU 88 Ca 0.28 -0.09 -0.05 0.00 0.84 0.00 0.00 57.88 58.86 1vke h LEU 88 Cb 0.14 -0.04 -0.02 0.00 0.37 0.00 0.00 40.66 41.11 1vke h LEU 88 CO -0.16 0.20 0.07 0.58 -0.34 0.00 0.00 178.44 178.79 1vke h VAL 89 N 0.10 1.24 -0.27 1.05 2.07 -1.11 -0.02 116.25 119.31 1vke h VAL 89 Ca 0.04 -0.86 -0.13 0.00 0.82 0.00 0.00 66.70 66.58 1vke h VAL 89 Cb 0.08 1.04 -0.00 0.00 -1.52 0.00 0.00 31.29 30.89 1vke h VAL 89 CO -0.01 0.29 -0.34 0.58 0.02 0.00 0.00 177.57 178.12 1vke h VAL 90 N 0.50 1.30 0.00 2.57 2.07 -1.21 -3.29 116.25 118.18 1vke h VAL 90 Ca 0.12 -1.52 0.00 0.00 0.82 0.00 0.00 66.70 66.11 1vke h VAL 90 Cb 0.36 1.64 0.00 0.00 -1.52 0.00 0.00 31.29 31.77 1vke h VAL 90 CO 0.01 0.49 -0.78 0.61 0.02 0.00 0.00 177.57 177.92 1vke n GLY 91 N 0.24 -1.34 0.00 2.17 0.00 0.19 -5.07 105.19 101.39 1vke n GLY 91 Ca -0.04 -0.31 0.00 0.00 0.00 0.00 0.00 46.02 45.67 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 -0.32 0.26 -0.02 0.00 -0.02 -4.49 105.19 101.94 1vke n GLY 92 Ca 0.03 -1.84 0.17 0.00 0.00 0.00 0.00 46.02 44.38 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 0.15 1.61 4.64 -1.93 -0.55 113.55 117.47 1vke h SER 93 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 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 0.00 2.30 -0.87 0.00 0.00 176.83 178.26 1vke n ILE 94 N -2.83 1.07 0.25 0.95 -6.64 -1.26 -1.24 119.36 109.65 1vke n ILE 94 Ca -0.00 0.61 0.13 0.00 -1.77 0.00 0.00 62.75 61.72 1vke n ILE 94 Cb 0.19 -1.60 0.29 0.00 -1.44 0.00 0.00 39.64 37.09 1vke n ILE 94 CO 0.00 0.00 0.00 0.58 -1.77 0.00 0.00 176.55 175.36 1vke h VAL 95 N 0.00 0.00 -0.54 7.28 2.07 -1.32 -3.39 116.25 120.35 1vke h VAL 95 Ca 0.00 -0.87 0.11 0.00 0.82 0.00 0.00 66.70 66.76 1vke h VAL 95 Cb 0.08 1.87 -0.09 0.00 -1.52 0.00 0.00 31.29 31.63 1vke h VAL 95 CO 0.00 0.00 0.01 0.40 0.02 0.00 0.00 177.57 178.00 1vke h ILE 96 N 0.00 0.57 -0.64 4.57 2.04 -1.34 -0.36 117.51 122.35 1vke h ILE 96 Ca 0.00 -0.04 0.04 0.00 1.00 0.00 0.00 64.86 65.86 1vke h ILE 96 Cb 0.88 0.44 -0.04 0.00 -0.74 0.00 0.00 36.82 37.36 1vke h ILE 96 CO 0.00 0.02 0.42 -0.65 0.00 0.00 0.00 178.15 177.94 1vke h PRO 97 N 0.12 0.69 -0.12 2.37 0.11 -1.80 -0.13 132.00 133.25 1vke h PRO 97 Ca 0.28 -0.04 -0.19 0.00 0.11 0.00 0.00 66.00 66.15 1vke h PRO 97 Cb 0.43 -0.16 0.00 0.00 0.11 0.00 0.00 31.00 31.38 1vke h PRO 97 CO -0.45 0.46 -0.72 0.45 -0.21 0.00 0.00 178.00 177.52 1vke h HIS 98 N 0.71 0.74 -0.64 0.65 3.86 -1.40 -2.33 115.15 116.74 1vke h HIS 98 Ca 0.26 -0.32 -0.07 0.00 -1.16 0.00 0.00 60.37 59.08 1vke h HIS 98 Cb 0.15 -0.12 -0.03 0.00 1.06 0.00 0.00 27.41 28.48 1vke h HIS 98 CO -0.00 1.10 0.11 1.25 0.86 0.00 0.00 177.93 181.25 1vke h LEU 99 N 0.38 0.99 -0.28 2.43 5.85 -0.22 0.07 115.31 124.54 1vke h LEU 99 Ca -0.03 -0.23 0.02 0.00 0.84 0.00 0.00 57.88 58.48 1vke h LEU 99 Cb 1.31 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 42.06 1vke h LEU 99 CO 0.13 0.99 0.14 -0.09 -0.34 0.00 0.00 178.44 179.28 1vke h ARG 100 N 0.98 0.29 -0.62 1.25 2.43 -0.98 -0.35 114.38 117.39 1vke h ARG 100 Ca 0.20 -0.02 -0.06 0.00 -0.81 0.00 0.00 59.98 59.29 1vke h ARG 100 Cb 0.42 -0.07 -0.03 0.00 -0.42 0.00 0.00 29.97 29.87 1vke h ARG 100 CO 0.01 0.19 0.14 0.00 -1.51 0.00 0.00 179.97 178.80 1vke h ARG 101 N 0.30 0.98 -0.46 0.20 3.08 -1.13 -1.94 114.38 115.41 1vke h ARG 101 Ca 0.11 -0.22 -0.01 0.00 0.07 0.00 0.00 59.98 59.93 1vke h ARG 101 Cb 0.03 -0.14 -0.02 0.00 0.08 0.00 0.00 29.97 29.92 1vke h ARG 101 CO -0.07 0.87 0.24 0.00 -1.07 0.00 0.00 179.97 179.94 1vke h ALA 102 N 1.22 0.59 -0.57 0.04 0.00 -0.47 -1.18 119.26 118.89 1vke h ALA 102 Ca 0.20 -0.09 -0.09 0.00 0.00 0.00 0.00 54.91 54.92 1vke h ALA 102 Cb 0.35 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 1vke h ALA 102 CO 0.00 0.12 -0.02 0.28 0.00 0.00 0.00 179.25 179.64 1vke h VAL 103 N 0.60 1.26 -0.64 0.00 2.07 -0.86 -0.36 116.25 118.31 1vke h VAL 103 Ca 0.16 -1.14 -0.01 0.00 0.82 0.00 0.00 66.70 66.53 1vke h VAL 103 Cb 0.07 0.84 -0.03 0.00 -1.52 0.00 0.00 31.29 30.65 1vke h VAL 103 CO -0.02 0.41 0.38 1.23 0.02 0.00 0.00 177.57 179.59 1vke h GLY 104 N 0.99 0.94 0.99 2.17 0.00 -1.15 -0.83 103.07 106.18 1vke h GLY 104 Ca 0.16 -0.40 -0.10 0.00 0.00 0.00 0.00 47.33 46.99 1vke h GLY 104 CO 0.03 0.39 -0.14 -2.75 0.00 0.00 0.00 176.54 174.06 1vke h PHE 105 N 0.87 0.88 -0.94 5.60 3.57 -0.97 -1.90 116.94 124.05 1vke h PHE 105 Ca 0.23 -0.21 0.04 0.00 3.53 0.00 0.00 57.97 61.56 1vke h PHE 105 Cb -0.01 -0.21 -0.06 0.00 2.79 0.00 0.00 35.95 38.47 1vke h PHE 105 CO -0.01 0.93 0.61 1.25 -2.23 0.00 0.00 178.31 178.86 1vke h LEU 106 N 0.57 1.01 -0.87 0.59 5.85 -0.79 -1.12 115.31 120.54 1vke h LEU 106 Ca 0.09 -0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.80 1vke h LEU 106 Cb 0.68 -0.22 -0.04 0.00 0.37 0.00 0.00 40.66 41.44 1vke h LEU 106 CO 0.05 0.68 0.50 -0.33 -0.34 0.00 0.00 178.44 179.00 1vke h GLU 107 N 1.17 1.20 -0.60 1.25 5.08 -0.83 0.09 114.58 121.92 1vke h GLU 107 Ca 0.38 -0.12 -0.00 0.00 -1.00 0.00 0.00 59.36 58.61 1vke h GLU 107 Cb 0.03 -0.24 -0.03 0.00 0.50 0.00 0.00 28.75 29.01 1vke h GLU 107 CO -0.13 0.86 0.36 1.49 -1.00 0.00 0.00 179.01 180.59 1vke h GLU 108 N 1.20 0.82 -0.58 2.33 4.81 -0.51 -0.92 114.58 121.73 1vke h GLU 108 Ca 0.31 -0.07 -0.04 0.00 -0.13 0.00 0.00 59.36 59.43 1vke h GLU 108 Cb -0.01 -0.17 -0.03 0.00 0.63 0.00 0.00 28.75 29.17 1vke h GLU 108 CO -0.05 0.59 0.22 -0.07 -0.73 0.00 0.00 179.01 178.96 1vke h LEU 109 N 0.82 0.81 -1.25 1.64 3.38 -0.59 -1.39 115.31 118.72 1vke h LEU 109 Ca 0.22 -0.18 -0.04 0.00 0.09 0.00 0.00 57.88 57.96 1vke h LEU 109 Cb -0.02 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.50 1vke h LEU 109 CO -0.04 0.77 0.03 0.03 0.09 0.00 0.00 178.44 179.32 1vke h ARG 110 N 0.80 0.53 -0.37 1.13 2.47 -0.76 -0.47 114.38 117.72 1vke h ARG 110 Ca 0.19 -0.11 -0.11 0.00 -1.26 0.00 0.00 59.98 58.70 1vke h ARG 110 Cb 0.23 -0.08 -0.01 0.00 -1.65 0.00 0.00 29.97 28.45 1vke h ARG 110 CO -0.01 0.54 -0.20 1.49 0.56 0.00 0.00 179.97 182.35 1vke h GLU 111 N 0.52 0.78 -0.19 0.04 4.57 -0.83 0.78 114.58 120.25 1vke h GLU 111 Ca 0.11 -0.35 0.04 0.00 -1.18 0.00 0.00 59.36 57.99 1vke h GLU 111 Cb 0.29 -0.02 -0.04 0.00 -0.16 0.00 0.00 28.75 28.82 1vke h GLU 111 CO 0.01 0.97 -0.09 0.52 -1.18 0.00 0.00 179.01 179.24 1vke h MET 112 N 0.58 -0.07 -0.23 1.92 2.86 -0.92 -0.70 114.93 118.37 1vke h MET 112 Ca 0.08 0.00 0.03 0.00 -2.06 0.00 0.00 59.70 57.76 1vke h MET 112 Cb 0.75 0.02 -0.03 0.00 0.06 0.00 0.00 31.60 32.39 1vke h MET 112 CO 0.06 -0.05 0.03 1.49 1.06 0.00 0.00 176.91 179.51 1vke h GLU 113 N -0.07 0.12 -0.77 1.72 4.81 -0.88 -0.23 114.58 119.28 1vke h GLU 113 Ca 0.10 -0.01 0.14 0.00 -0.13 0.00 0.00 59.36 59.46 1vke h GLU 113 Cb 0.22 -0.03 -0.09 0.00 0.63 0.00 0.00 28.75 29.49 1vke h GLU 113 CO -0.23 0.08 0.33 -0.22 -0.73 0.00 0.00 179.01 178.23 1vke h LYS 114 N 0.12 0.48 -0.00 1.92 3.64 -0.60 -2.15 116.57 119.97 1vke h LYS 114 Ca 0.10 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.46 1vke h LYS 114 Cb 0.11 -0.11 0.00 0.00 -0.41 0.00 0.00 32.23 31.82 1vke h LYS 114 CO -0.15 0.31 -0.00 0.09 -2.27 0.00 0.00 179.45 177.44 1vke n ASN 115 N -4.97 0.19 -0.57 4.20 3.02 -0.29 -4.91 115.26 111.94 1vke n ASN 115 Ca 0.14 -1.03 -0.06 0.00 -0.03 0.00 0.00 54.58 53.60 1vke n ASN 115 Cb 0.41 -0.01 -0.02 0.00 -0.61 0.00 0.00 39.78 39.55 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 1.03 0.61 3.70 7.41 0.00 -0.50 -5.00 105.19 112.45 1vke n GLY 116 Ca 0.23 -0.72 -0.38 0.00 0.00 0.00 0.00 46.02 45.16 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 -3.14 4.26 0.19 1.61 2.02 -0.22 -5.02 118.70 118.40 1vke s GLU 117 Ca 0.00 0.27 -0.32 0.00 0.02 0.00 0.00 54.97 54.95 1vke s GLU 117 Cb 0.00 -3.47 -0.11 0.00 0.10 0.00 0.00 34.13 30.65 1vke s GLU 117 CO 0.00 0.09 1.62 0.99 0.02 0.00 0.00 175.26 177.98 1vke s THR 118 N 0.87 2.37 -0.42 3.63 2.01 -1.26 -4.35 115.64 118.49 1vke s THR 118 Ca 0.21 0.27 -0.17 0.00 0.31 0.00 0.00 61.69 62.31 1vke s THR 118 Cb -0.14 -3.17 0.02 0.00 0.01 0.00 0.00 72.50 69.21 1vke s THR 118 CO 0.08 0.02 0.44 -0.63 -0.69 0.00 0.00 174.62 173.84 1vke s ILE 119 N 1.00 5.08 0.06 1.82 1.01 -1.26 -5.05 121.20 123.86 1vke s ILE 119 Ca 0.71 -0.33 -0.06 0.00 0.00 0.00 0.00 60.65 60.97 1vke s ILE 119 Cb -0.46 -4.04 -0.01 0.00 0.01 0.00 0.00 42.46 37.96 1vke s ILE 119 CO 0.33 -0.42 0.11 -0.55 0.00 0.00 0.00 174.94 174.41 1vke s SER 120 N 1.81 0.21 0.00 3.58 0.15 -1.26 -5.02 113.70 113.17 1vke s SER 120 Ca 0.12 -0.65 0.02 0.00 0.70 0.00 0.00 55.95 56.14 1vke s SER 120 Cb -0.17 0.27 0.02 0.00 -1.71 0.00 0.00 66.02 64.42 1vke s SER 120 CO 0.14 -0.61 0.57 0.18 1.20 0.00 0.00 173.24 174.72