#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1vfq s MET 1 N 0.00 4.36 0.64 4.33 1.00 -1.26 -5.04 119.30 123.33 1vfq s MET 1 Ca 0.00 1.40 -0.16 0.00 0.00 0.00 0.00 55.69 56.93 1vfq s MET 1 Cb 0.00 -3.58 -0.01 0.00 0.00 0.00 0.00 34.83 31.24 1vfq s MET 1 CO 0.00 -0.44 1.14 0.00 0.00 0.00 0.00 175.02 175.72 1vfq s ALA 2 N 2.45 2.48 0.34 3.03 0.00 -1.26 -4.98 121.76 123.82 1vfq s ALA 2 Ca 0.47 0.70 -0.27 0.00 0.00 0.00 0.00 51.96 52.86 1vfq s ALA 2 Cb -0.18 -3.36 -0.09 0.00 0.00 0.00 0.00 23.12 19.49 1vfq s ALA 2 CO 0.14 -1.23 1.11 0.99 0.00 0.00 0.00 175.76 176.77 1vfq s THR 3 N -2.09 3.43 0.29 0.00 2.01 -1.26 -4.90 115.64 113.13 1vfq s THR 3 Ca 0.70 1.31 0.10 0.00 0.31 0.00 0.00 61.69 64.10 1vfq s THR 3 Cb -0.23 -3.78 -0.06 0.00 0.01 0.00 0.00 72.50 68.44 1vfq s THR 3 CO 0.38 0.21 -0.13 -0.54 -0.69 0.00 0.00 174.62 173.85 1vfq s LYS 4 N -1.90 1.66 -0.00 4.92 1.02 0.07 -5.01 119.74 120.50 1vfq s LYS 4 Ca 0.51 -1.81 -0.00 0.00 0.02 0.00 0.00 55.97 54.68 1vfq s LYS 4 Cb -0.30 -1.55 0.01 0.00 -0.52 0.00 0.00 37.83 35.47 1vfq s LYS 4 CO 0.38 0.19 0.01 -1.50 -0.92 0.00 0.00 175.35 173.50 1vfq s ILE 5 N -2.70 -0.01 -0.96 2.17 2.07 -1.26 0.06 121.20 120.56 1vfq s ILE 5 Ca 0.30 0.05 -0.19 0.00 -1.41 0.00 0.00 60.65 59.40 1vfq s ILE 5 Cb -0.00 -0.03 0.12 0.00 0.13 0.00 0.00 42.46 42.69 1vfq s ILE 5 CO 0.14 0.02 1.19 -0.62 -1.91 0.00 0.00 174.94 173.76 1vfq s ASP 6 N 0.22 6.65 0.29 4.50 -1.08 -0.52 -4.88 116.67 121.86 1vfq s ASP 6 Ca -0.02 -2.05 -0.02 0.00 -0.52 0.00 0.00 52.55 49.94 1vfq s ASP 6 Cb -0.03 -2.42 0.43 0.00 -1.46 0.00 0.00 42.92 39.44 1vfq s ASP 6 CO -0.01 -1.09 1.95 0.11 0.52 0.00 0.00 175.17 176.65 1vfq h LYS 7 N 8.80 1.12 -0.09 4.34 1.57 -1.98 0.06 116.57 130.39 1vfq h LYS 7 Ca 0.18 -0.07 -0.00 0.00 -1.87 0.00 0.00 60.65 58.89 1vfq h LYS 7 Cb 1.01 -0.25 -0.00 0.00 0.08 0.00 0.00 32.23 33.06 1vfq h LYS 7 CO 1.16 0.74 0.04 1.49 -0.57 0.00 0.00 179.45 182.31 1vfq h GLU 8 N 1.15 0.13 -0.23 3.15 4.81 -1.99 0.34 114.58 121.94 1vfq h GLU 8 Ca 0.34 -0.02 -0.09 0.00 -0.13 0.00 0.00 59.36 59.46 1vfq h GLU 8 Cb -0.06 -0.02 -0.00 0.00 0.63 0.00 0.00 28.75 29.30 1vfq h GLU 8 CO -0.09 0.20 -0.19 0.00 -0.73 0.00 0.00 179.01 178.19 1vfq h ALA 9 N 0.92 0.33 -0.56 2.92 0.00 -1.94 -2.32 119.26 118.62 1vfq h ALA 9 Ca 0.03 -0.35 -0.05 0.00 0.00 0.00 0.00 54.91 54.54 1vfq h ALA 9 Cb 0.11 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 1vfq h ALA 9 CO -0.00 0.26 0.15 0.00 0.00 0.00 0.00 179.25 179.65 1vfq h ARG 11 N 0.79 1.23 -0.74 0.00 3.08 -0.28 -1.37 114.38 117.07 1vfq h ARG 11 Ca 0.18 -0.07 -0.05 0.00 0.07 0.00 0.00 59.98 60.10 1vfq h ARG 11 Cb 0.33 -0.28 -0.03 0.00 0.08 0.00 0.00 29.97 30.07 1vfq h ARG 11 CO -0.00 0.81 0.28 0.00 -1.07 0.00 0.00 179.97 179.99 1vfq h ALA 12 N 1.42 0.97 -0.29 0.04 0.00 -1.19 -0.19 119.26 120.01 1vfq h ALA 12 Ca 0.34 -0.20 -0.06 0.00 0.00 0.00 0.00 54.91 55.00 1vfq h ALA 12 Cb -0.15 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.34 1vfq h ALA 12 CO -0.07 0.61 -0.03 0.00 0.00 0.00 0.00 179.25 179.75 1vfq h ALA 13 N 1.14 0.40 -0.15 0.00 0.00 -0.99 -1.51 119.26 118.14 1vfq h ALA 13 Ca 0.25 -0.26 0.03 0.00 0.00 0.00 0.00 54.91 54.93 1vfq h ALA 13 Cb 0.24 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.90 1vfq h ALA 13 CO -0.02 0.18 -0.02 -0.92 0.00 0.00 0.00 179.25 178.47 1vfq h TYR 14 N 0.31 -0.04 -0.84 0.00 3.20 -1.14 -2.63 116.97 115.82 1vfq h TYR 14 Ca 0.08 0.01 0.04 0.00 3.14 0.00 0.00 58.73 62.00 1vfq h TYR 14 Cb 0.49 0.04 -0.05 0.00 1.54 0.00 0.00 36.73 38.75 1vfq h TYR 14 CO 0.04 -0.04 0.54 -0.91 -1.64 0.00 0.00 178.16 176.15 1vfq h ASN 15 N 0.02 0.88 -0.76 -2.11 -0.26 -0.97 -2.62 115.58 109.77 1vfq h ASN 15 Ca 0.07 -0.00 0.16 0.00 -0.56 0.00 0.00 56.30 55.97 1vfq h ASN 15 Cb 0.10 -0.19 -0.11 0.00 -1.06 0.00 0.00 38.32 37.06 1vfq h ASN 15 CO -0.14 0.60 0.25 0.25 -1.06 0.00 0.00 177.43 177.34 1vfq h LEU 16 N 1.04 0.16 -0.88 1.61 5.85 -0.90 0.47 115.31 122.65 1vfq h LEU 16 Ca 0.34 0.13 -0.12 0.00 0.84 0.00 0.00 57.88 59.08 1vfq h LEU 16 Cb 0.03 0.15 -0.01 0.00 0.37 0.00 0.00 40.66 41.19 1vfq h LEU 16 CO -0.12 0.02 -0.47 0.58 -0.34 0.00 0.00 178.44 178.11 1vfq h VAL 17 N 0.35 1.34 0.00 1.05 2.07 -1.32 -3.14 116.25 116.61 1vfq h VAL 17 Ca 0.43 -1.67 -0.10 0.00 0.82 0.00 0.00 66.70 66.18 1vfq h VAL 17 Cb 0.73 1.80 -0.01 0.00 -1.52 0.00 0.00 31.29 32.28 1vfq h VAL 17 CO -0.47 0.49 -0.49 0.03 0.02 0.00 0.00 177.57 177.15 1vfq h ARG 18 N 0.16 0.00 -6.60 1.57 3.08 -0.95 -3.46 114.38 108.19 1vfq h ARG 18 Ca 0.01 0.00 -0.52 0.00 0.07 0.00 0.00 59.98 59.53 1vfq h ARG 18 Cb 0.90 0.00 0.04 0.00 0.08 0.00 0.00 29.97 30.99 1vfq h ARG 18 CO 0.07 0.49 0.91 0.34 -1.07 0.00 0.00 179.97 180.71 1vfq s ASP 19 N -6.46 6.56 0.00 7.04 -1.08 -0.02 -4.90 116.67 117.81 1vfq s ASP 19 Ca 0.02 2.63 0.24 0.00 -0.52 0.00 0.00 52.55 54.93 1vfq s ASP 19 Cb 0.09 -2.59 1.09 0.00 -1.46 0.00 0.00 42.92 40.05 1vfq s ASP 19 CO 0.73 -0.85 1.79 0.47 0.52 0.00 0.00 175.17 177.83 1vfq n ASP 20 N 4.16 0.00 -0.69 -0.34 8.00 -1.26 -2.24 116.55 124.18 1vfq n ASP 20 Ca 0.14 0.35 0.05 0.00 0.71 0.00 0.00 54.79 56.05 1vfq n ASP 20 Cb 0.38 -0.44 0.15 0.00 -0.02 0.00 0.00 41.12 41.19 1vfq n ASP 20 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1vfq n GLY 21 N 0.95 0.77 3.37 0.44 0.00 -1.26 -4.91 105.19 104.54 1vfq n GLY 21 Ca 0.07 -0.38 -0.31 0.00 0.00 0.00 0.00 46.02 45.41 1vfq n GLY 21 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1vfq s SER 22 N -0.93 3.36 -0.24 1.61 0.15 -0.95 -4.99 113.70 111.70 1vfq s SER 22 Ca 0.23 -0.42 0.14 0.00 0.70 0.00 0.00 55.95 56.60 1vfq s SER 22 Cb 0.13 -0.47 0.69 0.00 -1.71 0.00 0.00 66.02 64.66 1vfq s SER 22 CO 0.15 0.31 1.64 0.00 1.20 0.00 0.00 173.24 176.54 1vfq n ALA 23 N 2.24 3.80 -2.83 5.45 0.00 -1.26 -4.86 120.51 123.05 1vfq n ALA 23 Ca -0.16 -2.24 -0.39 0.00 0.00 0.00 0.00 53.44 50.64 1vfq n ALA 23 Cb 0.51 -1.00 -0.11 0.00 0.00 0.00 0.00 19.45 18.85 1vfq n ALA 23 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1vfq s VAL 24 N -2.88 4.62 -0.86 0.00 1.01 -1.26 -4.01 120.40 117.01 1vfq s VAL 24 Ca 0.50 -0.61 0.20 0.00 0.00 0.00 0.00 61.98 62.07 1vfq s VAL 24 Cb 0.40 -3.45 -0.23 0.00 0.00 0.00 0.00 36.38 33.10 1vfq s VAL 24 CO 0.12 -0.07 0.81 2.30 0.00 0.00 0.00 175.10 178.26 1vfq n ILE 25 N 4.99 0.00 -3.89 2.22 -5.35 -0.28 -4.28 119.36 112.78 1vfq n ILE 25 Ca -0.13 -0.07 -0.12 0.00 -0.27 0.00 0.00 62.75 62.17 1vfq n ILE 25 Cb 0.48 0.91 -0.14 0.00 -1.74 0.00 0.00 39.64 39.15 1vfq n ILE 25 CO 0.00 0.00 0.00 -1.66 -1.76 0.00 0.00 176.55 173.13 1vfq s TRP 26 N -2.94 0.04 0.02 4.28 1.48 -0.87 -0.23 118.94 120.72 1vfq s TRP 26 Ca 0.06 -0.07 0.00 0.00 -1.06 0.00 0.00 56.10 55.03 1vfq s TRP 26 Cb 0.15 -0.03 -0.02 0.00 -1.16 0.00 0.00 33.47 32.41 1vfq s TRP 26 CO 0.83 -0.02 -0.03 0.14 -4.06 0.00 0.00 176.95 173.80 1vfq s VAL 27 N -0.18 0.11 0.32 -0.66 -7.23 -0.88 -1.35 120.40 110.53 1vfq s VAL 27 Ca -0.02 -0.90 0.10 0.00 -1.81 0.00 0.00 61.98 59.35 1vfq s VAL 27 Cb -0.01 -0.26 -0.06 0.00 0.56 0.00 0.00 36.38 36.61 1vfq s VAL 27 CO -0.00 -0.49 -0.10 0.42 -0.31 0.00 0.00 175.10 174.61 1vfq s THR 28 N -1.45 2.47 -0.08 5.32 -4.23 -0.85 -1.30 115.64 115.51 1vfq s THR 28 Ca -0.16 -2.21 0.00 0.00 -1.18 0.00 0.00 61.69 58.15 1vfq s THR 28 Cb -0.10 -2.58 0.02 0.00 1.34 0.00 0.00 72.50 71.18 1vfq s THR 28 CO -0.01 -0.28 -0.07 -0.36 -0.54 0.00 0.00 174.62 173.36 1vfq s PHE 29 N -2.54 1.25 0.37 3.99 0.40 0.53 -0.03 117.98 121.95 1vfq s PHE 29 Ca 0.32 -0.53 0.04 0.00 -0.60 0.00 0.00 56.93 56.17 1vfq s PHE 29 Cb -0.01 -1.04 -0.06 0.00 0.51 0.00 0.00 43.02 42.42 1vfq s PHE 29 CO 0.17 -0.38 0.05 -1.59 0.70 0.00 0.00 175.22 174.17 1vfq s LYS 30 N 1.34 1.80 -0.17 0.44 -2.85 0.88 -1.29 119.74 119.89 1vfq s LYS 30 Ca -0.03 -2.03 -0.17 0.00 -1.00 0.00 0.00 55.97 52.74 1vfq s LYS 30 Cb -0.14 -1.10 -0.04 0.00 -2.06 0.00 0.00 37.83 34.50 1vfq s LYS 30 CO -0.03 -0.19 0.45 0.71 0.10 0.00 0.00 175.35 176.39 1vfq s TYR 31 N -3.10 3.42 -0.65 1.78 1.51 -1.26 -0.65 117.35 118.40 1vfq s TYR 31 Ca 0.33 0.74 -0.01 0.00 -1.01 0.00 0.00 57.07 57.12 1vfq s TYR 31 Cb 0.08 -2.57 0.16 0.00 -0.11 0.00 0.00 41.96 39.53 1vfq s TYR 31 CO 0.15 0.03 0.45 0.34 -1.11 0.00 0.00 175.55 175.41 1vfq s ASP 32 N 0.92 5.09 1.07 2.29 2.15 0.55 -4.93 116.67 123.81 1vfq s ASP 32 Ca 0.22 -3.10 0.00 0.00 0.43 0.00 0.00 52.55 50.10 1vfq s ASP 32 Cb -0.15 -1.80 0.00 0.00 -0.30 0.00 0.00 42.92 40.67 1vfq s ASP 32 CO 0.09 -0.29 0.00 0.61 -0.17 0.00 0.00 175.17 175.41 1vfq n GLY 33 N 3.10 1.77 0.73 2.66 0.00 -1.26 -2.22 105.19 109.97 1vfq n GLY 33 Ca 0.10 -0.50 0.06 0.00 0.00 0.00 0.00 46.02 45.68 1vfq n GLY 33 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1vfq n SER 34 N 8.30 3.11 -4.40 1.61 3.41 -1.26 -4.94 113.62 119.45 1vfq n SER 34 Ca 0.00 -3.24 -0.34 0.00 -0.26 0.00 0.00 58.87 55.04 1vfq n SER 34 Cb 0.00 -0.53 -0.13 0.00 -0.26 0.00 0.00 64.21 63.28 1vfq n SER 34 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 1vfq s THR 35 N -2.95 3.41 -0.15 6.66 2.01 -0.94 -0.75 115.64 122.92 1vfq s THR 35 Ca 0.40 -0.52 -0.27 0.00 0.31 0.00 0.00 61.69 61.61 1vfq s THR 35 Cb 0.34 -2.48 -0.01 0.00 0.01 0.00 0.00 72.50 70.36 1vfq s THR 35 CO 0.05 0.49 0.91 -0.63 -0.69 0.00 0.00 174.62 174.75 1vfq s ILE 36 N 0.58 4.83 0.20 1.82 1.01 0.11 -0.33 121.20 129.42 1vfq s ILE 36 Ca -0.05 1.80 0.01 0.00 0.00 0.00 0.00 60.65 62.41 1vfq s ILE 36 Cb -0.15 -4.21 -0.05 0.00 0.01 0.00 0.00 42.46 38.06 1vfq s ILE 36 CO 0.03 0.00 0.05 0.68 0.00 0.00 0.00 174.94 175.70 1vfq s VAL 37 N 2.20 0.55 0.39 2.92 -7.23 0.18 -1.43 120.40 117.98 1vfq s VAL 37 Ca 0.42 -1.98 -0.26 0.00 -1.81 0.00 0.00 61.98 58.34 1vfq s VAL 37 Cb -0.17 -2.33 -0.09 0.00 0.56 0.00 0.00 36.38 34.36 1vfq s VAL 37 CO 0.13 -0.27 1.28 -2.84 -0.31 0.00 0.00 175.10 173.10 1vfq s PRO 38 N -3.98 4.04 0.00 4.82 0.02 -1.26 -0.08 135.00 138.55 1vfq s PRO 38 Ca 0.30 2.12 0.00 0.00 0.02 0.00 0.00 61.00 63.44 1vfq s PRO 38 Cb 0.07 -2.79 0.00 0.00 0.02 0.00 0.00 34.50 31.80 1vfq s PRO 38 CO 0.08 -0.42 0.00 0.41 -0.33 0.00 0.00 177.00 176.73 1vfq n GLY 39 N 0.69 3.88 3.55 0.52 0.00 0.95 -4.68 105.19 110.10 1vfq n GLY 39 Ca 0.03 -1.86 -0.31 0.00 0.00 0.00 0.00 46.02 43.89 1vfq n GLY 39 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1vfq n GLU 40 N 0.00 -1.16 -3.84 1.61 -0.58 -1.26 -4.52 120.64 110.89 1vfq n GLU 40 Ca 0.00 -0.29 -0.10 0.00 -0.42 0.00 0.00 57.16 56.35 1vfq n GLU 40 Cb 0.00 -2.20 -0.08 0.00 -0.57 0.00 0.00 31.44 28.59 1vfq n GLU 40 CO 0.00 0.00 0.00 -0.65 -0.48 0.00 0.00 177.13 176.00 1vfq s GLN 41 N -4.35 0.73 0.17 3.49 -0.21 -1.26 -2.01 119.66 116.22 1vfq s GLN 41 Ca 0.65 -0.68 -0.24 0.00 0.02 0.00 0.00 55.36 55.12 1vfq s GLN 41 Cb -0.23 0.30 0.07 0.00 1.00 0.00 0.00 33.01 34.15 1vfq s GLN 41 CO 0.62 -0.22 0.98 0.20 -2.12 0.00 0.00 175.29 174.75 1vfq s GLY 42 N -2.23 -0.13 0.05 3.09 0.00 -0.46 -5.00 107.32 102.64 1vfq s GLY 42 Ca -0.03 -0.01 0.21 0.00 0.00 0.00 0.00 44.72 44.89 1vfq s GLY 42 CO -0.05 0.50 0.68 0.00 0.00 0.00 0.00 173.10 174.23 1vfq n ALA 43 N -0.52 2.49 -3.49 3.20 0.00 -1.26 -1.13 120.51 119.81 1vfq n ALA 43 Ca -0.05 -0.49 -0.34 0.00 0.00 0.00 0.00 53.44 52.55 1vfq n ALA 43 Cb 0.60 -0.85 -0.14 0.00 0.00 0.00 0.00 19.45 19.06 1vfq n ALA 43 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1vfq s GLU 44 N -3.31 3.34 0.26 0.00 2.02 -1.26 -4.60 118.70 115.15 1vfq s GLU 44 Ca -0.05 -0.66 -0.02 0.00 0.02 0.00 0.00 54.97 54.26 1vfq s GLU 44 Cb 0.11 -2.87 0.44 0.00 0.10 0.00 0.00 34.13 31.91 1vfq s GLU 44 CO 0.85 -0.11 1.84 -0.92 0.02 0.00 0.00 175.26 176.94 1vfq h TYR 45 N 7.78 1.03 -0.84 1.61 3.20 -1.98 -1.41 116.97 126.37 1vfq h TYR 45 Ca -0.39 0.03 0.11 0.00 3.14 0.00 0.00 58.73 61.62 1vfq h TYR 45 Cb 1.17 -0.33 -0.06 0.00 1.54 0.00 0.00 36.73 39.05 1vfq h TYR 45 CO 0.55 0.46 0.54 0.37 -1.64 0.00 0.00 178.16 178.45 1vfq h GLN 46 N 0.96 0.73 0.00 1.82 5.75 -1.99 0.18 115.11 122.56 1vfq h GLN 46 Ca 0.43 -0.04 -0.04 0.00 -0.15 0.00 0.00 58.65 58.84 1vfq h GLN 46 Cb 0.34 -0.17 -0.01 0.00 1.07 0.00 0.00 27.48 28.71 1vfq h GLN 46 CO -0.23 0.49 -0.21 0.45 -2.65 0.00 0.00 178.83 176.68 1vfq h HIS 47 N 0.76 0.00 -0.11 3.99 3.86 -1.69 -2.58 115.15 119.38 1vfq h HIS 47 Ca 0.40 0.00 -0.02 0.00 -1.16 0.00 0.00 60.37 59.58 1vfq h HIS 47 Cb 0.50 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 28.97 1vfq h HIS 47 CO -0.00 0.21 -0.02 0.35 0.86 0.00 0.00 177.93 179.33 1vfq h PHE 48 N 0.00 0.23 -0.87 2.45 3.57 -0.59 -2.95 116.94 118.77 1vfq h PHE 48 Ca -0.00 -0.05 0.15 0.00 3.53 0.00 0.00 57.97 61.60 1vfq h PHE 48 Cb 0.46 -0.06 -0.07 0.00 2.79 0.00 0.00 35.95 39.07 1vfq h PHE 48 CO 0.00 0.49 0.57 0.82 -2.23 0.00 0.00 178.31 177.96 1vfq h ILE 49 N -0.10 0.81 0.00 1.41 2.04 -1.06 0.10 117.51 120.70 1vfq h ILE 49 Ca 0.03 -0.21 -0.01 0.00 1.00 0.00 0.00 64.86 65.67 1vfq h ILE 49 Cb 0.42 0.13 -0.00 0.00 -0.74 0.00 0.00 36.82 36.63 1vfq h ILE 49 CO 0.01 0.11 -0.04 1.56 0.00 0.00 0.00 178.15 179.79 1vfq h GLN 50 N 0.62 0.00 0.00 2.37 4.20 -1.30 -1.14 115.11 119.86 1vfq h GLN 50 Ca 0.44 0.00 -0.09 0.00 0.06 0.00 0.00 58.65 59.06 1vfq h GLN 50 Cb 0.79 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.56 1vfq h GLN 50 CO -0.19 0.04 -0.43 1.96 -0.67 0.00 0.00 178.83 179.54 1vfq h GLN 51 N 0.00 0.00 -4.45 1.46 1.08 -0.97 -3.40 115.11 108.83 1vfq h GLN 51 Ca -0.00 0.00 -0.72 0.00 -1.45 0.00 0.00 58.65 56.48 1vfq h GLN 51 Cb 0.19 0.00 -0.09 0.00 -0.05 0.00 0.00 27.48 27.53 1vfq h GLN 51 CO 0.01 0.43 2.46 0.00 -0.95 0.00 0.00 178.83 180.77 1vfq s THR 53 N 2.67 4.21 -1.50 0.00 2.01 -1.26 -4.94 115.64 116.83 1vfq s THR 53 Ca 0.47 0.99 0.16 0.00 0.31 0.00 0.00 61.69 63.62 1vfq s THR 53 Cb 0.09 -3.57 0.30 0.00 0.01 0.00 0.00 72.50 69.33 1vfq s THR 53 CO -0.02 -0.67 1.45 0.47 -0.69 0.00 0.00 174.62 175.16 1vfq n ASP 54 N -2.00 0.00 -0.40 3.53 10.43 -1.26 -2.68 116.55 124.17 1vfq n ASP 54 Ca 0.07 -0.01 0.11 0.00 2.57 0.00 0.00 54.79 57.54 1vfq n ASP 54 Cb 0.53 -0.25 -0.01 0.00 1.84 0.00 0.00 41.12 43.23 1vfq n ASP 54 CO 0.00 0.00 0.00 0.47 -1.07 0.00 0.00 177.20 176.60 1vfq n ASP 55 N -1.25 1.82 -4.45 -2.24 10.43 -1.26 0.06 116.55 119.66 1vfq n ASP 55 Ca 0.08 -1.40 -0.23 0.00 2.57 0.00 0.00 54.79 55.81 1vfq n ASP 55 Cb 0.12 0.55 -0.10 0.00 1.84 0.00 0.00 41.12 43.53 1vfq n ASP 55 CO 0.00 0.00 0.00 0.54 -1.07 0.00 0.00 177.20 176.67 1vfq s VAL 56 N -2.57 2.09 -0.04 2.53 0.11 -1.09 -4.75 120.40 116.67 1vfq s VAL 56 Ca 0.17 -2.26 0.05 0.00 -2.93 0.00 0.00 61.98 57.01 1vfq s VAL 56 Cb 0.18 -2.35 -0.01 0.00 -1.53 0.00 0.00 36.38 32.67 1vfq s VAL 56 CO 0.62 -0.38 -0.19 0.00 -3.33 0.00 0.00 175.10 171.82 1vfq s ARG 57 N -3.61 1.96 0.21 1.54 3.03 -1.26 -0.55 118.95 120.27 1vfq s ARG 57 Ca 0.29 -0.69 -0.16 0.00 2.03 0.00 0.00 55.73 57.20 1vfq s ARG 57 Cb -0.01 -1.70 0.02 0.00 -1.03 0.00 0.00 34.95 32.23 1vfq s ARG 57 CO 0.13 0.29 0.49 -0.48 -1.13 0.00 0.00 175.30 174.61 1vfq s LEU 58 N -0.06 0.23 0.17 -1.89 0.05 -0.12 -4.63 118.68 112.44 1vfq s LEU 58 Ca -0.03 -0.64 0.10 0.00 0.05 0.00 0.00 54.13 53.61 1vfq s LEU 58 Cb -0.12 1.97 -0.04 0.00 -2.05 0.00 0.00 46.19 45.95 1vfq s LEU 58 CO 0.02 -1.07 -0.18 -0.36 -0.55 0.00 0.00 176.35 174.21 1vfq s PHE 59 N -3.92 2.45 0.01 3.48 0.40 -0.41 -0.54 117.98 119.45 1vfq s PHE 59 Ca 0.13 -0.30 -0.07 0.00 -0.60 0.00 0.00 56.93 56.10 1vfq s PHE 59 Cb -0.01 -1.23 -0.00 0.00 0.51 0.00 0.00 43.02 42.29 1vfq s PHE 59 CO 0.01 0.48 0.12 0.00 0.70 0.00 0.00 175.22 176.53 1vfq s ALA 60 N -1.57 -0.26 -0.13 5.36 0.00 0.12 -0.35 121.76 124.93 1vfq s ALA 60 Ca 0.21 -0.23 0.01 0.00 0.00 0.00 0.00 51.96 51.95 1vfq s ALA 60 Cb -0.09 0.14 0.02 0.00 0.00 0.00 0.00 23.12 23.19 1vfq s ALA 60 CO 0.12 -0.22 -0.13 0.12 0.00 0.00 0.00 175.76 175.64 1vfq s PHE 61 N -1.58 1.98 0.00 0.00 5.36 -0.42 -0.63 117.98 122.69 1vfq s PHE 61 Ca -0.13 -1.05 0.04 0.00 -0.96 0.00 0.00 56.93 54.83 1vfq s PHE 61 Cb -0.07 -1.48 -0.01 0.00 -0.34 0.00 0.00 43.02 41.12 1vfq s PHE 61 CO 0.01 -0.59 -0.12 0.08 -1.46 0.00 0.00 175.22 173.13 1vfq s VAL 62 N 1.40 0.96 -0.37 3.12 1.01 -0.35 -2.06 120.40 124.11 1vfq s VAL 62 Ca 0.02 -0.64 -0.12 0.00 0.00 0.00 0.00 61.98 61.24 1vfq s VAL 62 Cb -0.13 -0.82 0.02 0.00 0.00 0.00 0.00 36.38 35.44 1vfq s VAL 62 CO -0.08 0.18 0.23 -0.60 0.00 0.00 0.00 175.10 174.82 1vfq s ARG 63 N -0.52 3.01 -0.02 2.72 3.52 0.68 -0.53 118.95 127.80 1vfq s ARG 63 Ca 0.03 -0.96 -0.03 0.00 -0.13 0.00 0.00 55.73 54.64 1vfq s ARG 63 Cb -0.05 -3.78 -0.04 0.00 -1.56 0.00 0.00 34.95 29.52 1vfq s ARG 63 CO -0.00 -0.64 0.17 -0.06 -0.81 0.00 0.00 175.30 173.96 1vfq s PHE 64 N 1.61 3.54 -0.29 5.12 0.40 0.11 -4.90 117.98 123.57 1vfq s PHE 64 Ca 0.04 0.37 -0.12 0.00 -0.60 0.00 0.00 56.93 56.61 1vfq s PHE 64 Cb -0.19 -1.84 -0.04 0.00 0.51 0.00 0.00 43.02 41.47 1vfq s PHE 64 CO 0.08 0.65 0.24 0.99 0.70 0.00 0.00 175.22 177.88 1vfq s THR 65 N -1.28 5.27 0.30 0.64 2.01 -1.26 -0.51 115.64 120.82 1vfq s THR 65 Ca 0.26 0.16 0.04 0.00 0.31 0.00 0.00 61.69 62.45 1vfq s THR 65 Cb -0.13 -3.61 -0.06 0.00 0.01 0.00 0.00 72.50 68.71 1vfq s THR 65 CO 0.17 0.16 0.03 0.42 -0.69 0.00 0.00 174.62 174.72 1vfq s THR 66 N 1.82 1.21 0.00 -0.82 -4.23 -0.54 -4.99 115.64 108.09 1vfq s THR 66 Ca 0.08 -2.02 0.00 0.00 -1.18 0.00 0.00 61.69 58.57 1vfq s THR 66 Cb -0.16 -2.68 0.00 0.00 1.34 0.00 0.00 72.50 71.00 1vfq s THR 66 CO 0.11 -0.09 0.00 0.61 -0.54 0.00 0.00 174.62 174.71 1vfq n GLY 67 N -0.62 3.68 0.10 3.99 0.00 -1.26 0.19 105.19 111.25 1vfq n GLY 67 Ca -0.03 -0.49 -0.16 0.00 0.00 0.00 0.00 46.02 45.34 1vfq n GLY 67 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 1vfq h ASP 68 N 0.00 0.23 -3.46 1.61 3.04 -2.00 -3.47 116.42 112.37 1vfq h ASP 68 Ca 0.00 -0.84 -0.06 0.00 -3.24 0.00 0.00 57.03 52.89 1vfq h ASP 68 Cb 0.00 -0.07 0.01 0.00 -1.04 0.00 0.00 39.33 38.23 1vfq h ASP 68 CO 0.00 1.04 0.02 0.00 -2.04 0.00 0.00 179.24 178.26 1vfq n ALA 69 N -2.57 0.01 0.24 4.15 0.00 -1.26 -4.98 120.51 116.10 1vfq n ALA 69 Ca -0.10 -0.27 0.09 0.00 0.00 0.00 0.00 53.44 53.16 1vfq n ALA 69 Cb 0.55 0.04 0.59 0.00 0.00 0.00 0.00 19.45 20.63 1vfq n ALA 69 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 177.50 179.48 1vfq h MET 70 N 0.00 0.00 -4.78 0.00 1.85 -2.02 -3.38 114.93 106.61 1vfq h MET 70 Ca -0.05 0.00 -0.69 0.00 -0.61 0.00 0.00 59.70 58.35 1vfq h MET 70 Cb 0.17 0.00 -0.19 0.00 0.43 0.00 0.00 31.60 32.00 1vfq h MET 70 CO 0.05 0.19 0.13 -1.12 -0.40 0.00 0.00 176.91 175.76 1vfq s SER 71 N -6.48 6.19 0.51 1.39 0.01 -1.26 -5.04 113.70 109.02 1vfq s SER 71 Ca -0.03 -1.33 -0.19 0.00 1.31 0.00 0.00 55.95 55.71 1vfq s SER 71 Cb 0.14 -2.31 -0.07 0.00 0.21 0.00 0.00 66.02 63.99 1vfq s SER 71 CO 0.64 -1.11 1.05 -0.54 0.41 0.00 0.00 173.24 173.69 1vfq s LYS 72 N 2.77 3.67 -0.05 12.44 -0.14 -1.26 -4.76 119.74 132.41 1vfq s LYS 72 Ca 0.13 1.35 0.02 0.00 -1.36 0.00 0.00 55.97 56.10 1vfq s LYS 72 Cb -0.23 -2.08 0.02 0.00 -1.68 0.00 0.00 37.83 33.86 1vfq s LYS 72 CO 0.07 -0.54 -0.08 0.50 -0.76 0.00 0.00 175.35 174.55 1vfq s ARG 73 N -3.41 1.20 0.26 1.68 3.00 0.13 -4.98 118.95 116.83 1vfq s ARG 73 Ca 0.67 -0.24 -0.30 0.00 -1.00 0.00 0.00 55.73 54.86 1vfq s ARG 73 Cb -0.17 -1.07 -0.09 0.00 0.00 0.00 0.00 34.95 33.62 1vfq s ARG 73 CO 0.24 -0.02 1.13 -1.12 0.00 0.00 0.00 175.30 175.52 1vfq s SER 74 N 0.77 7.21 -0.04 -2.12 0.01 -1.26 -1.47 113.70 116.80 1vfq s SER 74 Ca -0.13 2.27 0.04 0.00 1.31 0.00 0.00 55.95 59.44 1vfq s SER 74 Cb -0.15 -2.62 -0.00 0.00 0.21 0.00 0.00 66.02 63.46 1vfq s SER 74 CO 0.02 -0.21 -0.14 -0.54 0.41 0.00 0.00 173.24 172.77 1vfq s LYS 75 N -1.17 1.48 -0.05 12.44 1.02 0.34 -4.93 119.74 128.86 1vfq s LYS 75 Ca 0.47 -0.50 -0.03 0.00 0.02 0.00 0.00 55.97 55.92 1vfq s LYS 75 Cb -0.32 -1.31 -0.04 0.00 -0.52 0.00 0.00 37.83 35.63 1vfq s LYS 75 CO 0.41 0.20 0.10 -0.06 -0.92 0.00 0.00 175.35 175.08 1vfq s PHE 76 N 0.08 3.40 0.02 3.18 0.40 -1.26 0.06 117.98 123.85 1vfq s PHE 76 Ca -0.03 0.32 0.05 0.00 -0.60 0.00 0.00 56.93 56.66 1vfq s PHE 76 Cb -0.10 -1.82 -0.02 0.00 0.51 0.00 0.00 43.02 41.59 1vfq s PHE 76 CO 0.01 0.61 -0.14 0.00 0.70 0.00 0.00 175.22 176.40 1vfq s ALA 77 N -1.12 1.18 -0.18 5.36 0.00 0.31 0.21 121.76 127.51 1vfq s ALA 77 Ca 0.20 -0.76 -0.07 0.00 0.00 0.00 0.00 51.96 51.33 1vfq s ALA 77 Cb -0.12 -0.22 -0.04 0.00 0.00 0.00 0.00 23.12 22.74 1vfq s ALA 77 CO 0.10 0.25 0.07 -1.17 0.00 0.00 0.00 175.76 175.00 1vfq s LEU 78 N -0.87 3.84 -0.08 0.00 2.96 -0.96 -1.21 118.68 122.36 1vfq s LEU 78 Ca 0.03 0.10 0.02 0.00 -0.22 0.00 0.00 54.13 54.06 1vfq s LEU 78 Cb -0.07 -1.97 0.01 0.00 0.50 0.00 0.00 46.19 44.66 1vfq s LEU 78 CO 0.01 0.18 -0.14 -0.63 -1.32 0.00 0.00 176.35 174.45 1vfq s ILE 79 N 0.32 1.32 -0.31 6.68 1.01 0.20 -0.54 121.20 129.88 1vfq s ILE 79 Ca 0.04 -0.57 -0.09 0.00 0.00 0.00 0.00 60.65 60.03 1vfq s ILE 79 Cb -0.12 -1.20 -0.00 0.00 0.01 0.00 0.00 42.46 41.14 1vfq s ILE 79 CO 0.00 0.40 0.14 -0.89 0.00 0.00 0.00 174.94 174.59 1vfq s THR 80 N 0.78 4.48 -0.21 2.92 2.01 -0.15 0.16 115.64 125.63 1vfq s THR 80 Ca -0.12 -0.47 -0.07 0.00 0.31 0.00 0.00 61.69 61.34 1vfq s THR 80 Cb -0.16 -3.29 -0.03 0.00 0.01 0.00 0.00 72.50 69.03 1vfq s THR 80 CO 0.02 0.07 0.05 0.86 -0.69 0.00 0.00 174.62 174.93 1vfq s TRP 81 N 1.59 3.13 -0.33 4.92 -0.11 0.30 -0.59 118.94 127.86 1vfq s TRP 81 Ca 0.04 -0.22 0.03 0.00 1.22 0.00 0.00 56.10 57.17 1vfq s TRP 81 Cb -0.17 -2.14 0.10 0.00 -1.50 0.00 0.00 33.47 29.76 1vfq s TRP 81 CO 0.06 -0.13 0.05 0.42 -4.62 0.00 0.00 176.95 172.73 1vfq s ILE 82 N 0.99 1.95 0.37 5.86 1.01 -0.30 -0.94 121.20 130.12 1vfq s ILE 82 Ca 0.03 -2.07 -0.25 0.00 0.00 0.00 0.00 60.65 58.35 1vfq s ILE 82 Cb -0.14 -2.42 -0.12 0.00 0.01 0.00 0.00 42.46 39.79 1vfq s ILE 82 CO 0.03 -0.57 0.94 0.61 0.00 0.00 0.00 174.94 175.94 1vfq n GLY 83 N 4.40 -0.44 0.34 6.18 0.00 0.29 -4.36 105.19 111.60 1vfq n GLY 83 Ca 0.01 0.20 0.17 0.00 0.00 0.00 0.00 46.02 46.41 1vfq n GLY 83 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1vfq h GLU 84 N 1.60 0.00 -0.48 1.61 4.81 -1.69 -1.55 114.58 118.88 1vfq h GLU 84 Ca -0.42 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.81 1vfq h GLU 84 Cb 1.35 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.73 1vfq h GLU 84 CO 0.57 0.00 0.00 0.09 -0.73 0.00 0.00 179.01 178.94 1vfq n ASN 85 N -3.93 2.86 -4.74 1.04 3.02 0.11 -4.94 115.26 108.68 1vfq n ASN 85 Ca 0.03 -1.96 -0.41 0.00 -0.03 0.00 0.00 54.58 52.21 1vfq n ASN 85 Cb 0.38 -0.32 -0.03 0.00 -0.61 0.00 0.00 39.78 39.20 1vfq n ASN 85 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1vfq s VAL 86 N -1.37 3.32 0.56 2.41 1.01 -0.59 -4.93 120.40 120.82 1vfq s VAL 86 Ca 0.37 1.12 -0.21 0.00 0.00 0.00 0.00 61.98 63.26 1vfq s VAL 86 Cb 0.19 -3.71 -0.05 0.00 0.00 0.00 0.00 36.38 32.81 1vfq s VAL 86 CO 0.26 0.18 1.20 -1.54 0.00 0.00 0.00 175.10 175.21 1vfq n SER 87 N 2.42 1.92 -0.16 3.32 3.41 -1.26 -4.66 113.62 118.60 1vfq n SER 87 Ca 0.05 0.92 -0.06 0.00 -0.26 0.00 0.00 58.87 59.51 1vfq n SER 87 Cb 0.43 -1.50 -0.01 0.00 -0.26 0.00 0.00 64.21 62.88 1vfq n SER 87 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 1vfq h GLY 88 N 1.06 -0.18 0.76 5.00 0.00 -1.99 0.76 103.07 108.47 1vfq h GLY 88 Ca -0.49 0.43 0.05 0.00 0.00 0.00 0.00 47.33 47.31 1vfq h GLY 88 CO 0.55 -0.20 0.41 1.41 0.00 0.00 0.00 176.54 178.70 1vfq h LEU 89 N -0.20 0.64 -0.81 3.11 3.38 -2.01 -2.25 115.31 117.17 1vfq h LEU 89 Ca 0.20 0.02 -0.08 0.00 0.09 0.00 0.00 57.88 58.11 1vfq h LEU 89 Cb 0.54 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.17 1vfq h LEU 89 CO -0.62 0.43 -0.36 1.56 0.09 0.00 0.00 178.44 179.54 1vfq h GLN 90 N 0.78 0.00 -0.48 1.13 1.08 -1.73 -2.25 115.11 113.64 1vfq h GLN 90 Ca 0.30 0.00 -0.13 0.00 -1.45 0.00 0.00 58.65 57.37 1vfq h GLN 90 Cb 0.12 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.54 1vfq h GLN 90 CO -0.15 0.36 -0.19 -0.09 -0.95 0.00 0.00 178.83 177.81 1vfq h ARG 91 N 0.00 0.97 -0.07 1.46 2.43 -0.29 -1.43 114.38 117.45 1vfq h ARG 91 Ca -0.00 -0.40 -0.03 0.00 -0.81 0.00 0.00 59.98 58.74 1vfq h ARG 91 Cb 0.95 -0.04 -0.00 0.00 -0.42 0.00 0.00 29.97 30.46 1vfq h ARG 91 CO 0.05 1.06 -0.07 0.00 -1.51 0.00 0.00 179.97 179.51 1vfq h ALA 92 N 0.93 0.10 -1.00 2.80 0.00 -1.41 -1.22 119.26 119.46 1vfq h ALA 92 Ca 0.11 -0.28 0.13 0.00 0.00 0.00 0.00 54.91 54.88 1vfq h ALA 92 Cb 0.76 -0.02 -0.09 0.00 0.00 0.00 0.00 17.79 18.44 1vfq h ALA 92 CO 0.06 -0.09 0.63 -0.22 0.00 0.00 0.00 179.25 179.63 1vfq h LYS 93 N -0.26 0.92 -0.10 0.00 3.64 -1.35 -1.77 116.57 117.65 1vfq h LYS 93 Ca 0.01 -0.06 -0.02 0.00 -1.27 0.00 0.00 60.65 59.32 1vfq h LYS 93 Cb 0.57 -0.21 -0.00 0.00 -0.41 0.00 0.00 32.23 32.18 1vfq h LYS 93 CO 0.02 0.61 -0.02 1.15 -2.27 0.00 0.00 179.45 178.94 1vfq h THR 94 N 0.95 1.29 -0.95 1.00 2.02 -1.15 -0.17 112.91 115.89 1vfq h THR 94 Ca 0.50 -0.93 0.15 0.00 0.77 0.00 0.00 66.41 66.90 1vfq h THR 94 Cb 0.55 1.71 -0.09 0.00 -1.74 0.00 0.00 68.15 68.58 1vfq h THR 94 CO -0.27 0.26 0.57 1.23 0.37 0.00 0.00 175.52 177.67 1vfq h GLY 95 N -0.14 1.60 1.20 2.16 0.00 -0.50 -1.64 103.07 105.75 1vfq h GLY 95 Ca 0.02 -0.35 0.00 0.00 0.00 0.00 0.00 47.33 47.00 1vfq h GLY 95 CO 0.01 0.04 -0.71 -0.91 0.00 0.00 0.00 176.54 174.97 1vfq h THR 96 N 0.81 0.00 0.00 4.70 1.35 -1.24 -3.26 112.91 115.28 1vfq h THR 96 Ca 0.51 -0.76 0.00 0.00 -0.55 0.00 0.00 66.41 65.61 1vfq h THR 96 Cb 0.65 1.36 0.00 0.00 -1.73 0.00 0.00 68.15 68.43 1vfq h THR 96 CO -0.33 0.00 0.00 0.44 -0.25 0.00 0.00 175.52 175.38 1vfq h ASP 97 N 0.00 0.00 0.15 5.36 3.45 -0.03 -3.18 116.42 122.17 1vfq h ASP 97 Ca 0.00 0.00 -0.02 0.00 0.43 0.00 0.00 57.03 57.44 1vfq h ASP 97 Cb 0.88 0.00 -0.00 0.00 -0.56 0.00 0.00 39.33 39.65 1vfq h ASP 97 CO 0.00 0.00 -0.07 0.07 -1.57 0.00 0.00 179.24 177.67 1vfq h LYS 98 N 0.00 0.00 0.00 3.56 2.10 -1.56 0.06 116.57 120.73 1vfq h LYS 98 Ca 0.00 0.00 -0.09 0.00 -2.00 0.00 0.00 60.65 58.56 1vfq h LYS 98 Cb 0.45 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.76 1vfq h LYS 98 CO 0.00 0.07 -0.42 1.79 -2.00 0.00 0.00 179.45 178.89 1vfq h THR 99 N 0.00 1.21 -0.15 0.07 1.35 -1.82 0.34 112.91 113.92 1vfq h THR 99 Ca -0.00 -1.49 -0.08 0.00 -0.55 0.00 0.00 66.41 64.29 1vfq h THR 99 Cb 0.17 1.82 -0.00 0.00 -1.73 0.00 0.00 68.15 68.41 1vfq h THR 99 CO 0.01 0.41 -0.22 0.25 -0.25 0.00 0.00 175.52 175.72 1vfq h LEU 100 N 0.00 0.45 -1.29 3.87 5.85 -1.20 -3.15 115.31 119.83 1vfq h LEU 100 Ca -0.00 -0.53 -0.04 0.00 0.84 0.00 0.00 57.88 58.15 1vfq h LEU 100 Cb 0.79 -0.13 -0.02 0.00 0.37 0.00 0.00 40.66 41.67 1vfq h LEU 100 CO 0.05 0.89 0.09 0.58 -0.34 0.00 0.00 178.44 179.71 1vfq h VAL 101 N 0.02 1.18 0.00 1.05 2.07 -1.01 -1.59 116.25 117.97 1vfq h VAL 101 Ca 0.01 -0.64 0.00 0.00 0.82 0.00 0.00 66.70 66.89 1vfq h VAL 101 Cb 0.79 0.80 0.00 0.00 -1.52 0.00 0.00 31.29 31.36 1vfq h VAL 101 CO 0.05 0.23 0.00 0.29 0.02 0.00 0.00 177.57 178.16 1vfq n LYS 102 N -4.33 0.10 0.19 1.57 5.02 0.08 -0.48 118.16 120.31 1vfq n LYS 102 Ca 0.02 0.21 0.06 0.00 -2.02 0.00 0.00 58.31 56.59 1vfq n LYS 102 Cb 0.20 -1.50 0.32 0.00 -0.02 0.00 0.00 35.03 34.02 1vfq n LYS 102 CO 0.00 0.00 0.00 0.93 -0.52 0.00 0.00 177.40 177.81 1vfq h GLU 103 N 0.00 0.00 0.00 1.97 5.08 -1.28 -3.25 114.58 117.10 1vfq h GLU 103 Ca 0.00 0.00 -0.28 0.00 -1.00 0.00 0.00 59.36 58.08 1vfq h GLU 103 Cb 0.18 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.38 1vfq h GLU 103 CO 0.00 0.35 -1.85 0.28 -1.00 0.00 0.00 179.01 176.79 1vfq n VAL 104 N -3.44 1.52 -2.60 3.13 0.31 -0.51 -4.68 118.33 112.05 1vfq n VAL 104 Ca 0.00 -0.16 -0.43 0.00 -0.01 0.00 0.00 64.34 63.74 1vfq n VAL 104 Cb 0.52 -2.06 0.00 0.00 -0.91 0.00 0.00 33.84 31.39 1vfq n VAL 104 CO 0.00 0.00 0.00 0.52 -1.32 0.00 0.00 176.83 176.03 1vfq n VAL 105 N -4.35 4.04 0.06 2.52 0.31 0.37 -4.75 118.33 116.53 1vfq n VAL 105 Ca -0.38 -4.25 -0.07 0.00 -0.01 0.00 0.00 64.34 59.63 1vfq n VAL 105 Cb 0.72 -2.42 -0.11 0.00 -0.91 0.00 0.00 33.84 31.12 1vfq n VAL 105 CO 0.00 0.00 0.00 1.56 -1.32 0.00 0.00 176.83 177.07 1vfq h GLN 106 N 7.08 0.01 -5.17 5.55 4.20 -1.83 -3.41 115.11 121.55 1vfq h GLN 106 Ca 0.41 -0.02 -0.62 0.00 0.06 0.00 0.00 58.65 58.48 1vfq h GLN 106 Cb 0.82 0.01 -0.33 0.00 0.30 0.00 0.00 27.48 28.28 1vfq h GLN 106 CO 1.44 1.00 -0.86 -0.80 -0.67 0.00 0.00 178.83 178.95 1vfq s ASN 107 N -6.73 2.60 -0.05 1.46 0.02 -1.26 -5.10 114.94 105.88 1vfq s ASN 107 Ca 0.01 -0.46 -0.29 0.00 -1.02 0.00 0.00 52.86 51.10 1vfq s ASN 107 Cb 0.10 -1.10 0.10 0.00 0.02 0.00 0.00 41.25 40.37 1vfq s ASN 107 CO 0.82 0.13 0.86 0.72 0.02 0.00 0.00 177.10 179.65 1vfq s PHE 108 N 0.35 -0.44 0.08 2.20 -0.12 -1.26 -4.92 117.98 113.87 1vfq s PHE 108 Ca -0.15 0.56 -0.15 0.00 -0.05 0.00 0.00 56.93 57.14 1vfq s PHE 108 Cb -0.16 0.48 -0.14 0.00 -0.63 0.00 0.00 43.02 42.57 1vfq s PHE 108 CO 0.06 -0.51 1.31 0.00 -0.05 0.00 0.00 175.22 176.03 1vfq h ALA 109 N 2.40 0.31 -2.46 1.99 0.00 -0.61 -3.47 119.26 117.42 1vfq h ALA 109 Ca -0.23 -0.50 -0.11 0.00 0.00 0.00 0.00 54.91 54.07 1vfq h ALA 109 Cb 1.20 -0.04 -0.20 0.00 0.00 0.00 0.00 17.79 18.75 1vfq h ALA 109 CO 0.33 0.49 -0.22 0.15 0.00 0.00 0.00 179.25 180.01 1vfq s LYS 110 N -3.91 0.72 0.04 0.00 -0.14 -1.21 -5.06 119.74 110.17 1vfq s LYS 110 Ca -0.12 -0.16 0.07 0.00 -1.36 0.00 0.00 55.97 54.41 1vfq s LYS 110 Cb 0.07 0.32 -0.03 0.00 -1.68 0.00 0.00 37.83 36.52 1vfq s LYS 110 CO 0.85 -0.20 -0.18 -1.83 -0.76 0.00 0.00 175.35 173.22 1vfq s GLU 111 N -1.37 2.07 0.15 1.68 -1.05 -1.26 -2.26 118.70 116.66 1vfq s GLU 111 Ca -0.13 -0.98 0.09 0.00 -0.15 0.00 0.00 54.97 53.80 1vfq s GLU 111 Cb -0.04 -2.18 -0.04 0.00 -0.44 0.00 0.00 34.13 31.42 1vfq s GLU 111 CO 0.05 0.54 -0.21 -0.06 0.95 0.00 0.00 175.26 176.52 1vfq s PHE 112 N -0.92 1.98 -0.24 4.83 0.40 0.30 -4.96 117.98 119.37 1vfq s PHE 112 Ca 0.15 -0.42 -0.01 0.00 -0.60 0.00 0.00 56.93 56.05 1vfq s PHE 112 Cb -0.10 -1.01 0.07 0.00 0.51 0.00 0.00 43.02 42.48 1vfq s PHE 112 CO 0.05 0.34 0.01 0.08 0.70 0.00 0.00 175.22 176.40 1vfq s VAL 113 N -1.65 1.10 -0.06 -0.44 1.01 -1.26 -0.98 120.40 118.12 1vfq s VAL 113 Ca 0.14 -1.07 0.05 0.00 0.00 0.00 0.00 61.98 61.10 1vfq s VAL 113 Cb -0.08 -1.55 -0.00 0.00 0.00 0.00 0.00 36.38 34.75 1vfq s VAL 113 CO 0.07 -0.26 -0.20 -0.63 0.00 0.00 0.00 175.10 174.08 1vfq s ILE 114 N 1.57 1.69 0.00 2.22 1.01 0.24 -4.97 121.20 122.97 1vfq s ILE 114 Ca -0.01 -0.85 0.00 0.00 0.00 0.00 0.00 60.65 59.79 1vfq s ILE 114 Cb -0.18 -1.45 0.00 0.00 0.01 0.00 0.00 42.46 40.84 1vfq s ILE 114 CO -0.10 0.48 0.26 -1.20 0.00 0.00 0.00 174.94 174.38 1vfq n SER 115 N 3.22 0.53 -4.29 3.58 7.64 -1.26 -1.16 113.62 121.88 1vfq n SER 115 Ca -0.19 -0.90 -0.37 0.00 1.01 0.00 0.00 58.87 58.42 1vfq n SER 115 Cb 0.53 0.09 -0.13 0.00 -1.01 0.00 0.00 64.21 63.69 1vfq n SER 115 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1vfq s ASP 116 N -0.09 5.23 0.54 6.43 -1.08 -1.26 -4.31 116.67 122.13 1vfq s ASP 116 Ca 0.00 -1.02 0.29 0.00 -0.52 0.00 0.00 52.55 51.30 1vfq s ASP 116 Cb 0.00 -1.86 1.45 0.00 -1.46 0.00 0.00 42.92 41.05 1vfq s ASP 116 CO 0.00 -0.28 1.93 -0.09 0.52 0.00 0.00 175.17 177.25 1vfq h ARG 117 N 8.21 0.00 0.00 4.34 2.43 -1.94 -0.52 114.38 126.90 1vfq h ARG 117 Ca -0.26 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 58.90 1vfq h ARG 117 Cb 1.09 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 30.64 1vfq h ARG 117 CO 0.60 0.00 -0.05 0.87 -1.51 0.00 0.00 179.97 179.88 1vfq h LYS 118 N 0.00 0.00 0.00 0.20 1.57 -2.01 -2.08 116.57 114.25 1vfq h LYS 118 Ca 0.34 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.12 1vfq h LYS 118 Cb 1.39 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.70 1vfq h LYS 118 CO -0.00 0.05 0.00 0.39 -0.57 0.00 0.00 179.45 179.31 1vfq n GLU 119 N -3.74 0.05 0.00 3.15 1.02 -0.20 -2.99 120.64 117.92 1vfq n GLU 119 Ca -0.03 0.01 0.13 0.00 -0.02 0.00 0.00 57.16 57.26 1vfq n GLU 119 Cb 0.14 -1.50 0.52 0.00 -0.02 0.00 0.00 31.44 30.59 1vfq n GLU 119 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 1vfq n LEU 120 N -1.47 0.14 -4.72 -4.62 4.77 -0.78 -4.09 117.00 106.23 1vfq n LEU 120 Ca 0.08 0.38 -0.43 0.00 -0.03 0.00 0.00 56.01 56.01 1vfq n LEU 120 Cb 0.32 -0.43 -0.02 0.00 -2.33 0.00 0.00 43.42 40.96 1vfq n LEU 120 CO 0.26 0.03 1.17 -0.62 -1.33 0.00 0.00 177.39 176.90 1vfq n GLU 121 N -1.52 2.48 -0.27 3.23 -0.58 -1.16 -4.77 120.64 118.05 1vfq n GLU 121 Ca 0.07 0.88 0.07 0.00 -0.42 0.00 0.00 57.16 57.76 1vfq n GLU 121 Cb 0.34 -2.63 0.31 0.00 -0.57 0.00 0.00 31.44 28.89 1vfq n GLU 121 CO 0.00 0.00 0.00 1.05 -0.48 0.00 0.00 177.13 177.70 1vfq h GLU 122 N 4.68 0.84 -0.91 3.49 4.11 -1.92 -0.97 114.58 123.91 1vfq h GLU 122 Ca -0.46 -0.05 0.04 0.00 0.07 0.00 0.00 59.36 58.96 1vfq h GLU 122 Cb 1.24 -0.19 -0.05 0.00 0.50 0.00 0.00 28.75 30.25 1vfq h GLU 122 CO 0.79 0.55 0.59 0.38 0.07 0.00 0.00 179.01 181.39 1vfq h ASP 123 N 0.86 0.97 0.28 3.06 2.03 -1.96 0.61 116.42 122.27 1vfq h ASP 123 Ca 0.39 -0.00 -0.01 0.00 -0.73 0.00 0.00 57.03 56.67 1vfq h ASP 123 Cb 0.37 -0.22 0.00 0.00 -0.83 0.00 0.00 39.33 38.66 1vfq h ASP 123 CO -0.16 0.66 -0.14 0.15 -1.03 0.00 0.00 179.24 178.73 1vfq h PHE 124 N 1.13 -0.35 -0.52 4.15 3.57 -1.55 -2.02 116.94 121.36 1vfq h PHE 124 Ca 0.37 -0.01 0.10 0.00 3.53 0.00 0.00 57.97 61.96 1vfq h PHE 124 Cb 0.02 0.12 -0.09 0.00 2.79 0.00 0.00 35.95 38.79 1vfq h PHE 124 CO -0.02 0.01 -0.04 0.82 -2.23 0.00 0.00 178.31 176.85 1vfq h ILE 125 N -0.85 0.55 -0.20 1.41 1.08 -1.02 -1.86 117.51 116.62 1vfq h ILE 125 Ca -0.04 -0.03 -0.07 0.00 -0.39 0.00 0.00 64.86 64.33 1vfq h ILE 125 Cb 0.52 0.47 -0.01 0.00 -3.07 0.00 0.00 36.82 34.72 1vfq h ILE 125 CO 0.06 0.01 -0.20 0.11 -0.69 0.00 0.00 178.15 177.44 1vfq h LYS 126 N 0.07 0.34 -0.27 2.37 1.57 -0.90 -0.60 116.57 119.16 1vfq h LYS 126 Ca 0.26 -0.11 -0.10 0.00 -1.87 0.00 0.00 60.65 58.83 1vfq h LYS 126 Cb 0.40 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.66 1vfq h LYS 126 CO -0.47 0.54 -0.26 0.66 -0.57 0.00 0.00 179.45 179.35 1vfq h SER 127 N 0.31 0.54 0.23 0.86 4.64 -0.91 -2.53 113.55 116.69 1vfq h SER 127 Ca 0.05 -0.19 -0.14 0.00 -0.47 0.00 0.00 61.79 61.04 1vfq h SER 127 Cb 0.54 -0.15 -0.01 0.00 -0.31 0.00 0.00 62.40 62.47 1vfq h SER 127 CO 0.04 0.79 -0.56 -0.33 -0.87 0.00 0.00 176.83 175.90 1vfq h GLU 128 N 0.47 0.35 0.00 4.77 4.39 -0.51 -2.89 114.58 121.16 1vfq h GLU 128 Ca 0.07 -0.22 -0.01 0.00 0.34 0.00 0.00 59.36 59.54 1vfq h GLU 128 Cb 0.69 0.03 -0.00 0.00 -0.10 0.00 0.00 28.75 29.37 1vfq h GLU 128 CO 0.05 0.81 -0.05 -0.07 -1.16 0.00 0.00 179.01 178.60 1vfq h LEU 129 N 0.27 0.00 -0.11 1.33 3.38 -0.73 -2.40 115.31 117.05 1vfq h LEU 129 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1vfq h LEU 129 Cb 1.06 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.81 1vfq h LEU 129 CO 0.09 0.05 -0.05 0.29 0.09 0.00 0.00 178.44 178.91 1vfq n LYS 130 N -3.27 0.59 0.00 1.13 5.02 -1.04 -5.01 118.16 115.58 1vfq n LYS 130 Ca -0.01 -0.11 0.14 0.00 -2.02 0.00 0.00 58.31 56.31 1vfq n LYS 130 Cb 0.22 -1.50 0.51 0.00 -0.02 0.00 0.00 35.03 34.24 1vfq n LYS 130 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51