#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1vyn s MET 5 N 0.00 3.89 -0.17 0.00 1.00 -0.41 -4.80 119.30 118.82 1vyn s MET 5 Ca 0.00 0.79 -0.40 0.00 0.00 0.00 0.00 55.69 56.09 1vyn s MET 5 Cb 0.00 -3.82 -0.17 0.00 0.00 0.00 0.00 34.83 30.85 1vyn s MET 5 CO 0.00 -1.10 1.57 -0.35 0.00 0.00 0.00 175.02 175.14 1vyn n PRO 6 N 7.24 0.97 0.23 2.03 -0.04 -1.26 0.36 135.00 144.52 1vyn n PRO 6 Ca 0.11 0.35 0.07 0.00 -0.04 0.00 0.00 63.50 63.99 1vyn n PRO 6 Cb 0.48 -1.99 0.54 0.00 -0.04 0.00 0.00 33.50 32.48 1vyn n PRO 6 CO 0.00 0.00 0.00 0.52 -0.04 0.00 0.00 175.50 175.98 1vyn h MET 7 N 5.93 0.00 -0.26 0.54 2.86 -0.88 0.39 114.93 123.51 1vyn h MET 7 Ca -0.47 0.00 -0.11 0.00 -2.06 0.00 0.00 59.70 57.06 1vyn h MET 7 Cb 1.34 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.98 1vyn h MET 7 CO 0.89 0.19 -0.29 0.82 1.06 0.00 0.00 176.91 179.58 1vyn h ILE 8 N 0.00 1.28 -0.35 -1.22 1.08 -1.79 0.54 117.51 117.05 1vyn h ILE 8 Ca -0.00 -1.37 -0.07 0.00 -0.39 0.00 0.00 64.86 63.04 1vyn h ILE 8 Cb 0.36 1.40 -0.01 0.00 -3.07 0.00 0.00 36.82 35.49 1vyn h ILE 8 CO 0.02 0.43 -0.04 -0.08 -0.69 0.00 0.00 178.15 177.80 1vyn h GLU 9 N 0.46 0.64 -0.50 2.37 4.57 -1.34 -0.62 114.58 120.16 1vyn h GLU 9 Ca 0.06 -0.22 0.05 0.00 -1.18 0.00 0.00 59.36 58.07 1vyn h GLU 9 Cb 0.74 -0.05 -0.05 0.00 -0.16 0.00 0.00 28.75 29.24 1vyn h GLU 9 CO 0.06 0.78 0.24 -0.92 -1.18 0.00 0.00 179.01 177.99 1vyn h TYR 10 N 0.44 0.43 -0.23 0.92 3.20 -0.83 0.16 116.97 121.06 1vyn h TYR 10 Ca 0.09 0.02 -0.01 0.00 3.14 0.00 0.00 58.73 61.98 1vyn h TYR 10 Cb 0.52 -0.12 -0.01 0.00 1.54 0.00 0.00 36.73 38.66 1vyn h TYR 10 CO 0.04 0.20 0.12 -0.07 -1.64 0.00 0.00 178.16 176.81 1vyn h LEU 11 N 0.46 0.29 0.16 2.82 3.38 -0.76 0.18 115.31 121.85 1vyn h LEU 11 Ca 0.23 -0.10 -0.01 0.00 0.09 0.00 0.00 57.88 58.09 1vyn h LEU 11 Cb 0.16 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 40.84 1vyn h LEU 11 CO -0.18 0.31 -0.08 -0.08 0.09 0.00 0.00 178.44 178.50 1vyn h GLU 12 N 0.25 -0.21 0.12 1.13 4.81 -0.61 0.34 114.58 120.42 1vyn h GLU 12 Ca 0.08 0.01 -0.20 0.00 -0.13 0.00 0.00 59.36 59.13 1vyn h GLU 12 Cb 0.09 0.05 0.02 0.00 0.63 0.00 0.00 28.75 29.54 1vyn h GLU 12 CO -0.01 -0.06 -0.85 0.00 -0.73 0.00 0.00 179.01 177.36 1vyn h ARG 13 N -0.31 0.36 0.03 1.92 3.08 -1.00 0.37 114.38 118.83 1vyn h ARG 13 Ca -0.02 -0.55 -0.39 0.00 0.07 0.00 0.00 59.98 59.09 1vyn h ARG 13 Cb 0.24 0.20 -0.05 0.00 0.08 0.00 0.00 29.97 30.43 1vyn h ARG 13 CO 0.04 1.24 -2.24 1.19 -1.07 0.00 0.00 179.97 179.13 1vyn n PHE 14 N -4.09 0.40 0.07 3.04 3.72 0.04 -3.00 117.46 117.63 1vyn n PHE 14 Ca -0.13 0.11 -0.23 0.00 -0.05 0.00 0.00 57.45 57.15 1vyn n PHE 14 Cb 0.83 -1.05 -0.15 0.00 -0.94 0.00 0.00 39.48 38.17 1vyn n PHE 14 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 176.76 177.74 1vyn h SER 15 N -0.37 0.58 0.13 4.37 0.87 -1.17 -3.38 113.55 114.58 1vyn h SER 15 Ca -0.55 -0.92 -0.36 0.00 -1.23 0.00 0.00 61.79 58.73 1vyn h SER 15 Cb 1.78 -0.19 -0.03 0.00 -0.44 0.00 0.00 62.40 63.52 1vyn h SER 15 CO -0.15 1.70 -2.06 0.18 -0.53 0.00 0.00 176.83 175.96 1vyn n LEU 16 N -3.76 2.55 -2.66 2.23 4.77 0.11 -4.99 117.00 115.25 1vyn n LEU 16 Ca -0.23 0.16 -0.18 0.00 -0.03 0.00 0.00 56.01 55.74 1vyn n LEU 16 Cb 1.01 -0.98 0.05 0.00 -2.33 0.00 0.00 43.42 41.16 1vyn n LEU 16 CO 0.50 0.83 0.12 0.29 -1.33 0.00 0.00 177.39 177.80 1vyn n LYS 17 N -3.41 -5.19 0.00 3.23 5.02 0.04 -4.93 118.16 112.92 1vyn n LYS 17 Ca -0.33 0.65 0.00 0.00 -2.02 0.00 0.00 58.31 56.61 1vyn n LYS 17 Cb 1.04 -5.08 0.00 0.00 -0.02 0.00 0.00 35.03 30.97 1vyn n LYS 17 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1vyn n ALA 18 N -3.93 0.00 -2.62 7.82 0.00 -0.71 -5.00 120.51 116.07 1vyn n ALA 18 Ca -0.03 0.00 -0.33 0.00 0.00 0.00 0.00 53.44 53.08 1vyn n ALA 18 Cb 0.56 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.91 1vyn n ALA 18 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.50 175.91 1vyn s LYS 19 N 4.89 2.71 -0.17 0.00 -2.85 -1.26 -4.49 119.74 118.57 1vyn s LYS 19 Ca 0.00 -0.61 -0.12 0.00 -1.00 0.00 0.00 55.97 54.24 1vyn s LYS 19 Cb 0.00 -2.59 -0.05 0.00 -2.06 0.00 0.00 37.83 33.13 1vyn s LYS 19 CO 0.00 0.64 0.22 -1.50 0.10 0.00 0.00 175.35 174.81 1vyn s ILE 20 N -0.95 5.35 0.04 3.79 -1.16 -1.26 -4.99 121.20 122.02 1vyn s ILE 20 Ca 0.16 0.39 -0.09 0.00 -0.51 0.00 0.00 60.65 60.60 1vyn s ILE 20 Cb -0.11 -3.55 0.00 0.00 0.61 0.00 0.00 42.46 39.41 1vyn s ILE 20 CO 0.06 0.44 0.18 0.20 -2.81 0.00 0.00 174.94 173.00 1vyn s ASN 21 N 0.22 0.05 0.56 4.50 0.01 -1.26 -5.01 114.94 114.01 1vyn s ASN 21 Ca 0.13 -0.38 0.36 0.00 -0.71 0.00 0.00 52.86 52.25 1vyn s ASN 21 Cb -0.12 0.28 1.60 0.00 0.41 0.00 0.00 41.25 43.42 1vyn s ASN 21 CO 0.02 -0.54 2.06 -1.13 -1.51 0.00 0.00 177.10 175.99 1vyn h ASN 22 N 3.52 0.00 -0.47 -1.22 -1.24 -1.98 -1.88 115.58 112.30 1vyn h ASN 22 Ca -0.32 0.00 0.00 0.00 0.71 0.00 0.00 56.30 56.69 1vyn h ASN 22 Cb 1.19 0.00 0.00 0.00 0.73 0.00 0.00 38.32 40.24 1vyn h ASN 22 CO 0.48 0.00 0.00 0.35 -1.29 0.00 0.00 177.43 176.97 1vyn n THR 23 N -3.01 1.45 -1.05 -3.57 -2.24 -1.26 -3.90 114.28 100.69 1vyn n THR 23 Ca -0.00 -0.89 0.01 0.00 -2.27 0.00 0.00 64.05 60.89 1vyn n THR 23 Cb 0.24 -0.04 0.30 0.00 -2.10 0.00 0.00 70.33 68.73 1vyn n THR 23 CO 0.00 0.00 0.00 0.41 -0.57 0.00 0.00 175.07 174.91 1vyn n THR 24 N 0.73 2.70 -3.60 4.28 -1.04 -0.71 -4.94 114.28 111.70 1vyn n THR 24 Ca 0.19 -1.79 -0.21 0.00 -2.04 0.00 0.00 64.05 60.21 1vyn n THR 24 Cb 0.73 -0.31 0.05 0.00 -1.82 0.00 0.00 70.33 68.97 1vyn n THR 24 CO 0.00 0.00 0.00 0.59 -0.64 0.00 0.00 175.07 175.02 1vyn n ASN 25 N -0.22 -2.38 0.03 8.00 3.02 -1.25 -4.86 115.26 117.60 1vyn n ASN 25 Ca 0.33 -0.80 0.09 0.00 -0.03 0.00 0.00 54.58 54.17 1vyn n ASN 25 Cb 1.19 -4.29 0.40 0.00 -0.61 0.00 0.00 39.78 36.46 1vyn n ASN 25 CO 0.00 0.00 0.00 -0.11 -2.62 0.00 0.00 177.26 174.53 1vyn n LEU 26 N -4.12 0.19 0.07 3.41 7.94 -1.26 -2.03 117.00 121.20 1vyn n LEU 26 Ca -0.25 0.54 -0.07 0.00 -1.11 0.00 0.00 56.01 55.12 1vyn n LEU 26 Cb 0.66 -0.51 0.09 0.00 0.53 0.00 0.00 43.42 44.20 1vyn n LEU 26 CO 0.66 -0.28 0.45 -2.24 -1.11 0.00 0.00 177.39 174.87 1vyn h ASP 27 N 0.00 0.36 0.19 1.96 2.03 -1.89 0.17 116.42 119.23 1vyn h ASP 27 Ca 0.00 -0.21 -0.18 0.00 -0.73 0.00 0.00 57.03 55.91 1vyn h ASP 27 Cb 0.33 -0.10 -0.00 0.00 -0.83 0.00 0.00 39.33 38.73 1vyn h ASP 27 CO 0.00 0.89 -0.69 1.88 -1.03 0.00 0.00 179.24 180.29 1vyn h TYR 28 N 0.23 0.61 -0.41 4.15 0.05 -1.78 -2.21 116.97 117.60 1vyn h TYR 28 Ca -0.01 -0.26 -0.02 0.00 0.05 0.00 0.00 58.73 58.50 1vyn h TYR 28 Cb 1.15 -0.10 -0.02 0.00 1.01 0.00 0.00 36.73 38.77 1vyn h TYR 28 CO 0.03 1.01 0.19 0.77 -1.05 0.00 0.00 178.16 179.11 1vyn h SER 29 N 0.32 0.53 -0.03 3.88 0.02 -1.45 -2.40 113.55 114.42 1vyn h SER 29 Ca -0.02 -0.13 0.01 0.00 -0.84 0.00 0.00 61.79 60.81 1vyn h SER 29 Cb 1.26 -0.14 -0.01 0.00 0.14 0.00 0.00 62.40 63.65 1vyn h SER 29 CO 0.12 0.51 -0.05 -0.09 -1.14 0.00 0.00 176.83 176.19 1vyn h ARG 30 N 0.52 -0.06 0.00 3.45 9.65 -0.49 0.66 114.38 128.11 1vyn h ARG 30 Ca 0.14 0.00 -0.06 0.00 -1.10 0.00 0.00 59.98 58.97 1vyn h ARG 30 Cb 0.12 0.01 -0.01 0.00 -1.39 0.00 0.00 29.97 28.71 1vyn h ARG 30 CO -0.02 -0.04 -0.27 0.07 2.80 0.00 0.00 179.97 182.51 1vyn h ARG 31 N -0.07 0.00 0.00 0.20 0.11 -1.41 -1.68 114.38 111.54 1vyn h ARG 31 Ca 0.03 0.00 -0.09 0.00 0.10 0.00 0.00 59.98 60.02 1vyn h ARG 31 Cb 0.11 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.17 1vyn h ARG 31 CO -0.07 0.27 -0.63 0.35 0.10 0.00 0.00 179.97 179.99 1vyn h PHE 32 N 0.00 0.00 -0.00 4.08 3.57 -0.83 -3.18 116.94 120.57 1vyn h PHE 32 Ca -0.00 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.50 1vyn h PHE 32 Cb 0.57 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.31 1vyn h PHE 32 CO 0.00 0.38 -0.14 1.28 -2.23 0.00 0.00 178.31 177.60 1vyn n LEU 33 N -3.09 0.15 0.02 0.59 7.99 0.22 -4.12 117.00 118.76 1vyn n LEU 33 Ca 0.00 0.35 -0.11 0.00 -0.01 0.00 0.00 56.01 56.24 1vyn n LEU 33 Cb 0.70 -0.42 -0.06 0.00 -0.11 0.00 0.00 43.42 43.54 1vyn n LEU 33 CO 0.40 0.04 0.85 -0.08 -1.51 0.00 0.00 177.39 177.09 1vyn h GLU 34 N 0.01 -0.01 -0.09 3.23 4.22 -1.35 0.07 114.58 120.66 1vyn h GLU 34 Ca 0.00 0.00 0.03 0.00 0.08 0.00 0.00 59.36 59.47 1vyn h GLU 34 Cb 0.50 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.74 1vyn h GLU 34 CO 0.00 -0.01 0.08 -1.35 -2.18 0.00 0.00 179.01 175.55 1vyn h PRO 35 N -0.01 0.00 -0.06 0.92 0.11 -1.80 0.20 132.00 131.35 1vyn h PRO 35 Ca 0.03 0.00 -0.25 0.00 0.11 0.00 0.00 66.00 65.89 1vyn h PRO 35 Cb 0.06 0.00 0.02 0.00 0.11 0.00 0.00 31.00 31.19 1vyn h PRO 35 CO -0.07 0.00 -0.94 0.74 -0.21 0.00 0.00 178.00 177.53 1vyn h PHE 36 N 0.00 1.05 0.00 0.65 0.04 -1.50 -3.32 116.94 113.86 1vyn h PHE 36 Ca 0.04 -0.53 -0.16 0.00 2.80 0.00 0.00 57.97 60.13 1vyn h PHE 36 Cb 0.20 -0.14 -0.02 0.00 2.20 0.00 0.00 35.95 38.19 1vyn h PHE 36 CO 0.00 1.36 -0.95 -0.07 -0.60 0.00 0.00 178.31 178.05 1vyn h LEU 37 N 0.45 0.00 -8.47 1.54 4.07 -0.04 -3.44 115.31 109.42 1vyn h LEU 37 Ca -0.10 0.00 -0.45 0.00 0.08 0.00 0.00 57.88 57.41 1vyn h LEU 37 Cb 1.58 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 43.31 1vyn h LEU 37 CO 0.19 0.66 1.60 -1.14 -1.08 0.00 0.00 178.44 178.67 1vyn n ARG 38 N -3.14 0.79 -0.57 1.13 0.63 0.60 -1.85 116.66 114.25 1vyn n ARG 38 Ca -0.03 -0.04 0.00 0.00 -0.92 0.00 0.00 57.85 56.86 1vyn n ARG 38 Cb 0.83 -3.03 0.00 0.00 0.45 0.00 0.00 32.46 30.71 1vyn n ARG 38 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1vyn n GLY 39 N 6.14 0.92 3.65 5.14 0.00 0.94 -4.96 105.19 117.02 1vyn n GLY 39 Ca 0.44 -0.15 -0.29 0.00 0.00 0.00 0.00 46.02 46.01 1vyn n GLY 39 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1vyn s ILE 40 N -2.12 1.17 -0.03 -0.61 -4.36 -0.77 -4.95 121.20 109.52 1vyn s ILE 40 Ca 0.00 -2.00 0.03 0.00 -0.26 0.00 0.00 60.65 58.42 1vyn s ILE 40 Cb 0.00 -2.40 -0.00 0.00 1.25 0.00 0.00 42.46 41.31 1vyn s ILE 40 CO 0.00 0.00 -0.13 0.54 0.24 0.00 0.00 174.94 175.59 1vyn s ASN 41 N -3.75 1.64 0.07 4.36 4.22 -1.26 0.19 114.94 120.40 1vyn s ASN 41 Ca 0.17 -0.26 0.05 0.00 -2.14 0.00 0.00 52.86 50.69 1vyn s ASN 41 Cb 0.04 -0.40 -0.03 0.00 1.28 0.00 0.00 41.25 42.14 1vyn s ASN 41 CO 0.09 0.12 -0.15 0.68 -2.04 0.00 0.00 177.10 175.80 1vyn s VAL 42 N 0.05 1.17 -0.52 3.54 -7.23 -0.59 -4.45 120.40 112.37 1vyn s VAL 42 Ca -0.02 -1.25 -0.22 0.00 -1.81 0.00 0.00 61.98 58.68 1vyn s VAL 42 Cb -0.09 -1.10 0.04 0.00 0.56 0.00 0.00 36.38 35.79 1vyn s VAL 42 CO 0.01 -0.15 0.81 -0.69 -0.31 0.00 0.00 175.10 174.77 1vyn s VAL 43 N -1.15 4.60 -0.28 1.32 1.01 0.13 -0.21 120.40 125.81 1vyn s VAL 43 Ca -0.00 0.05 -0.21 0.00 0.00 0.00 0.00 61.98 61.81 1vyn s VAL 43 Cb -0.09 -4.42 -0.01 0.00 0.00 0.00 0.00 36.38 31.86 1vyn s VAL 43 CO 0.02 -0.94 0.69 -0.47 0.00 0.00 0.00 175.10 174.40 1vyn s TYR 44 N 3.39 3.25 -0.46 5.22 5.04 0.60 -0.22 117.35 134.18 1vyn s TYR 44 Ca 0.25 0.79 -0.15 0.00 -2.44 0.00 0.00 57.07 55.51 1vyn s TYR 44 Cb -0.15 -2.99 0.06 0.00 0.35 0.00 0.00 41.96 39.23 1vyn s TYR 44 CO 0.17 -0.43 0.37 0.99 -1.34 0.00 0.00 175.55 175.31 1vyn s THR 45 N 2.67 5.21 0.11 4.34 2.01 -0.20 -1.86 115.64 127.92 1vyn s THR 45 Ca 0.28 -0.98 -0.30 0.00 0.31 0.00 0.00 61.69 61.00 1vyn s THR 45 Cb -0.15 -4.06 -0.06 0.00 0.01 0.00 0.00 72.50 68.24 1vyn s THR 45 CO 0.10 -0.51 0.97 -2.16 -0.69 0.00 0.00 174.62 172.32 1vyn s PRO 46 N 1.64 4.69 0.73 4.92 0.04 -1.26 -4.85 135.00 140.92 1vyn s PRO 46 Ca 0.04 1.46 -0.16 0.00 0.04 0.00 0.00 61.00 62.39 1vyn s PRO 46 Cb -0.23 -3.37 0.01 0.00 0.04 0.00 0.00 34.50 30.94 1vyn s PRO 46 CO 0.07 0.21 0.90 -2.30 0.04 0.00 0.00 177.00 175.92 1vyn n PRO 47 N 2.77 0.43 0.05 0.56 -0.02 -1.26 -4.84 135.00 132.68 1vyn n PRO 47 Ca 0.02 0.20 0.21 0.00 -2.02 0.00 0.00 63.50 61.92 1vyn n PRO 47 Cb 0.49 -2.17 0.74 0.00 -0.02 0.00 0.00 33.50 32.54 1vyn n PRO 47 CO 0.00 0.00 0.00 -0.56 1.98 0.00 0.00 175.50 176.92 1vyn h GLN 48 N -0.36 0.00 0.00 -0.52 3.07 -1.94 0.44 115.11 115.80 1vyn h GLN 48 Ca -0.47 0.00 -0.10 0.00 0.09 0.00 0.00 58.65 58.17 1vyn h GLN 48 Cb 1.33 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 28.88 1vyn h GLN 48 CO 0.46 0.00 -0.49 0.66 0.09 0.00 0.00 178.83 179.55 1vyn h SER 49 N 0.00 0.00 0.53 0.06 4.64 -1.89 -2.88 113.55 114.01 1vyn h SER 49 Ca 0.23 0.00 -0.14 0.00 -0.47 0.00 0.00 61.79 61.41 1vyn h SER 49 Cb 1.13 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.20 1vyn h SER 49 CO -0.00 0.49 -0.62 -0.26 -0.87 0.00 0.00 176.83 175.57 1vyn h PHE 50 N 0.00 0.11 -4.68 4.77 -1.00 -1.22 -3.47 116.94 111.44 1vyn h PHE 50 Ca -0.00 -0.04 -0.28 0.00 2.81 0.00 0.00 57.97 60.45 1vyn h PHE 50 Cb 0.95 -0.02 0.11 0.00 3.61 0.00 0.00 35.95 40.60 1vyn h PHE 50 CO 0.00 0.68 -0.53 1.04 -1.61 0.00 0.00 178.31 177.89 1vyn n GLN 51 N -3.82 -5.68 -4.38 1.51 6.02 -1.09 -5.02 117.38 104.92 1vyn n GLN 51 Ca -0.02 0.63 -0.19 0.00 -0.01 0.00 0.00 57.00 57.41 1vyn n GLN 51 Cb 0.62 -5.04 -0.10 0.00 1.02 0.00 0.00 30.24 26.74 1vyn n GLN 51 CO 0.00 0.00 0.00 -1.12 -1.01 0.00 0.00 177.06 174.93 1vyn s SER 52 N -3.50 2.24 -0.05 1.08 0.01 -1.26 -5.15 113.70 107.08 1vyn s SER 52 Ca 0.30 -1.22 -0.07 0.00 1.31 0.00 0.00 55.95 56.26 1vyn s SER 52 Cb -0.13 -0.07 -0.04 0.00 0.21 0.00 0.00 66.02 65.98 1vyn s SER 52 CO 0.55 -0.45 0.22 0.00 0.41 0.00 0.00 173.24 173.97 1vyn s ALA 53 N -3.25 3.85 -0.23 1.44 0.00 -1.26 -4.74 121.76 117.58 1vyn s ALA 53 Ca 0.29 -0.58 -0.35 0.00 0.00 0.00 0.00 51.96 51.33 1vyn s ALA 53 Cb 0.05 -2.05 -0.12 0.00 0.00 0.00 0.00 23.12 21.01 1vyn s ALA 53 CO 0.10 0.63 2.00 -2.30 0.00 0.00 0.00 175.76 176.19 1vyn n PRO 54 N 1.56 1.58 -4.50 0.00 -0.02 -1.26 -4.82 135.00 127.54 1vyn n PRO 54 Ca -0.15 0.53 -0.32 0.00 -2.02 0.00 0.00 63.50 61.54 1vyn n PRO 54 Cb 0.54 -2.54 -0.11 0.00 -0.02 0.00 0.00 33.50 31.37 1vyn n PRO 54 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 1vyn s ARG 55 N 4.98 2.41 -0.27 -0.52 1.81 -0.78 -4.85 118.95 121.73 1vyn s ARG 55 Ca 1.01 -0.81 -0.27 0.00 -1.72 0.00 0.00 55.73 53.94 1vyn s ARG 55 Cb -0.79 -2.41 0.01 0.00 -0.45 0.00 0.00 34.95 31.31 1vyn s ARG 55 CO 0.52 0.58 0.96 0.14 -0.68 0.00 0.00 175.30 176.82 1vyn s VAL 56 N -0.99 4.68 -0.00 3.52 -7.23 -1.26 -0.29 120.40 118.83 1vyn s VAL 56 Ca 0.17 1.69 0.02 0.00 -1.81 0.00 0.00 61.98 62.05 1vyn s VAL 56 Cb -0.11 -4.27 -0.03 0.00 0.56 0.00 0.00 36.38 32.52 1vyn s VAL 56 CO 0.07 -0.26 -0.03 -0.31 -0.31 0.00 0.00 175.10 174.26 1vyn s TYR 57 N 3.22 3.00 -0.50 2.82 2.02 0.70 -4.88 117.35 123.72 1vyn s TYR 57 Ca 0.40 0.03 -0.22 0.00 -0.37 0.00 0.00 57.07 56.91 1vyn s TYR 57 Cb -0.14 -1.64 0.04 0.00 -0.40 0.00 0.00 41.96 39.82 1vyn s TYR 57 CO 0.10 0.42 0.80 0.50 -1.57 0.00 0.00 175.55 175.81 1vyn s ARG 58 N -1.49 3.29 -0.28 -0.62 6.06 -1.26 -1.55 118.95 123.10 1vyn s ARG 58 Ca 0.18 -0.39 -0.29 0.00 -2.50 0.00 0.00 55.73 52.74 1vyn s ARG 58 Cb -0.11 -4.03 0.01 0.00 0.06 0.00 0.00 34.95 30.88 1vyn s ARG 58 CO 0.09 -1.29 1.20 0.08 -2.50 0.00 0.00 175.30 172.88 1vyn s VAL 59 N 3.36 4.32 -0.15 7.11 1.01 0.13 -1.24 120.40 134.95 1vyn s VAL 59 Ca 0.26 1.53 0.16 0.00 0.00 0.00 0.00 61.98 63.92 1vyn s VAL 59 Cb -0.14 -4.23 0.01 0.00 0.00 0.00 0.00 36.38 32.01 1vyn s VAL 59 CO 0.18 -0.41 1.26 0.78 0.00 0.00 0.00 175.10 176.92 1vyn h ASN 60 N 8.59 0.00 0.00 3.32 2.35 -1.31 0.27 115.58 128.79 1vyn h ASN 60 Ca -0.24 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.51 1vyn h ASN 60 Cb 1.08 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.45 1vyn h ASN 60 CO 1.02 0.51 0.00 0.61 -1.65 0.00 0.00 177.43 177.92 1vyn n GLY 61 N 1.27 -0.28 3.27 2.83 0.00 -1.03 -4.23 105.19 107.02 1vyn n GLY 61 Ca -0.01 -0.84 -0.20 0.00 0.00 0.00 0.00 46.02 44.97 1vyn n GLY 61 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1vyn s LEU 62 N 0.00 2.39 0.03 0.99 1.43 -1.26 -0.38 118.68 121.88 1vyn s LEU 62 Ca 0.00 -0.79 -0.26 0.00 -1.03 0.00 0.00 54.13 52.06 1vyn s LEU 62 Cb 0.00 -0.68 -0.05 0.00 0.03 0.00 0.00 46.19 45.49 1vyn s LEU 62 CO 0.00 -0.07 0.79 -0.94 0.23 0.00 0.00 176.35 176.36 1vyn s SER 63 N -2.36 7.21 0.65 2.29 1.04 0.45 -4.86 113.70 118.13 1vyn s SER 63 Ca 0.09 1.45 0.35 0.00 0.48 0.00 0.00 55.95 58.33 1vyn s SER 63 Cb -0.06 -2.48 1.94 0.00 0.10 0.00 0.00 66.02 65.52 1vyn s SER 63 CO 0.04 -0.04 2.13 0.03 0.98 0.00 0.00 173.24 176.38 1vyn h ARG 64 N 5.95 0.00 -5.43 4.02 3.08 -1.99 -3.36 114.38 116.65 1vyn h ARG 64 Ca -0.43 0.00 -0.64 0.00 0.07 0.00 0.00 59.98 58.98 1vyn h ARG 64 Cb 1.21 0.00 -0.19 0.00 0.08 0.00 0.00 29.97 31.07 1vyn h ARG 64 CO 0.72 0.00 -0.63 0.00 -1.07 0.00 0.00 179.97 178.99 1vyn s ALA 65 N -4.23 3.18 0.69 0.04 0.00 -1.26 -5.05 121.76 115.12 1vyn s ALA 65 Ca -0.04 -0.79 -0.15 0.00 0.00 0.00 0.00 51.96 50.98 1vyn s ALA 65 Cb 0.12 -1.65 0.01 0.00 0.00 0.00 0.00 23.12 21.61 1vyn s ALA 65 CO 0.38 0.28 1.13 -2.14 0.00 0.00 0.00 175.76 175.41 1vyn s PRO 66 N 0.11 2.60 0.30 0.00 0.02 -1.26 -3.75 135.00 133.02 1vyn s PRO 66 Ca 0.01 1.45 0.22 0.00 0.02 0.00 0.00 61.00 62.71 1vyn s PRO 66 Cb -0.13 -1.92 1.11 0.00 0.02 0.00 0.00 34.50 33.58 1vyn s PRO 66 CO 0.02 -1.42 1.68 0.00 -0.33 0.00 0.00 177.00 176.95 1vyn n ALA 67 N -2.58 1.26 0.18 -1.55 0.00 0.40 -0.94 120.51 117.28 1vyn n ALA 67 Ca 0.11 0.16 0.05 0.00 0.00 0.00 0.00 53.44 53.76 1vyn n ALA 67 Cb 0.52 -1.34 0.32 0.00 0.00 0.00 0.00 19.45 18.94 1vyn n ALA 67 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1vyn h SER 68 N 0.00 0.00 0.00 0.00 4.64 -1.64 -2.65 113.55 113.91 1vyn h SER 68 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1vyn h SER 68 Cb 0.13 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.22 1vyn h SER 68 CO 0.00 0.39 0.00 -1.54 -0.87 0.00 0.00 176.83 174.81 1vyn n SER 69 N -3.54 0.62 -4.61 4.97 3.41 -0.12 -4.87 113.62 109.49 1vyn n SER 69 Ca -0.00 -0.97 -0.42 0.00 -0.26 0.00 0.00 58.87 57.22 1vyn n SER 69 Cb 0.52 0.03 -0.04 0.00 -0.26 0.00 0.00 64.21 64.46 1vyn n SER 69 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 1vyn s GLU 70 N -0.03 3.87 -0.27 4.33 0.41 -0.15 -4.96 118.70 121.90 1vyn s GLU 70 Ca 0.00 0.57 -0.09 0.00 -0.41 0.00 0.00 54.97 55.04 1vyn s GLU 70 Cb 0.00 -3.78 -0.04 0.00 -1.78 0.00 0.00 34.13 28.53 1vyn s GLU 70 CO 0.00 -0.86 0.14 0.95 -0.49 0.00 0.00 175.26 175.00 1vyn s THR 71 N 3.29 4.88 0.09 3.63 -4.23 -1.26 -3.22 115.64 118.83 1vyn s THR 71 Ca 0.36 0.02 0.04 0.00 -1.18 0.00 0.00 61.69 60.93 1vyn s THR 71 Cb -0.13 -3.31 -0.04 0.00 1.34 0.00 0.00 72.50 70.37 1vyn s THR 71 CO 0.17 0.29 0.06 0.72 -0.54 0.00 0.00 174.62 175.32 1vyn s PHE 72 N 1.69 3.13 -0.34 3.99 -0.71 -0.55 -4.84 117.98 120.34 1vyn s PHE 72 Ca 0.07 0.04 -0.20 0.00 -1.04 0.00 0.00 56.93 55.80 1vyn s PHE 72 Cb -0.16 -1.59 -0.00 0.00 -1.21 0.00 0.00 43.02 40.07 1vyn s PHE 72 CO 0.08 0.51 0.60 -2.00 -1.34 0.00 0.00 175.22 173.07 1vyn s GLU 73 N -2.43 3.71 -0.29 1.99 2.12 -1.26 -1.96 118.70 120.59 1vyn s GLU 73 Ca 0.28 0.06 0.03 0.00 0.36 0.00 0.00 54.97 55.70 1vyn s GLU 73 Cb -0.12 -3.79 0.08 0.00 0.26 0.00 0.00 34.13 30.56 1vyn s GLU 73 CO 0.21 -0.68 -0.01 -1.58 -0.54 0.00 0.00 175.26 172.66 1vyn s HIS 74 N 2.61 3.15 -1.51 5.30 2.46 0.18 -4.61 115.29 122.86 1vyn s HIS 74 Ca 0.23 -2.43 0.00 0.00 0.47 0.00 0.00 55.06 53.33 1vyn s HIS 74 Cb -0.15 -2.24 0.00 0.00 -0.13 0.00 0.00 32.58 30.06 1vyn s HIS 74 CO 0.14 -0.89 0.00 -0.25 -2.47 0.00 0.00 174.74 171.27 1vyn n ASP 75 N 4.45 -5.06 0.00 9.88 8.00 -1.26 -2.17 116.55 130.39 1vyn n ASP 75 Ca -0.05 0.03 0.00 0.00 0.71 0.00 0.00 54.79 55.48 1vyn n ASP 75 Cb 0.42 -4.14 0.00 0.00 -0.02 0.00 0.00 41.12 37.38 1vyn n ASP 75 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1vyn n GLY 76 N -1.00 0.73 3.33 0.44 0.00 -1.26 -5.06 105.19 102.37 1vyn n GLY 76 Ca -0.20 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.50 1vyn n GLY 76 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1vyn s LYS 77 N -0.68 2.98 -0.19 1.61 -0.14 -0.92 -5.06 119.74 117.35 1vyn s LYS 77 Ca 0.00 -0.78 -0.16 0.00 -1.36 0.00 0.00 55.97 53.67 1vyn s LYS 77 Cb 0.00 -2.42 -0.04 0.00 -1.68 0.00 0.00 37.83 33.70 1vyn s LYS 77 CO 0.00 0.31 0.43 0.15 -0.76 0.00 0.00 175.35 175.48 1vyn s LYS 78 N 0.05 4.19 0.10 1.68 1.02 -1.26 0.47 119.74 126.00 1vyn s LYS 78 Ca -0.07 0.26 0.00 0.00 0.02 0.00 0.00 55.97 56.18 1vyn s LYS 78 Cb -0.15 -3.53 -0.04 0.00 -0.52 0.00 0.00 37.83 33.59 1vyn s LYS 78 CO 0.05 -0.04 -0.02 0.14 -0.92 0.00 0.00 175.35 174.56 1vyn s VAL 79 N 1.31 0.44 0.01 3.17 -7.23 -0.83 -4.93 120.40 112.34 1vyn s VAL 79 Ca 0.20 -1.90 -0.09 0.00 -1.81 0.00 0.00 61.98 58.38 1vyn s VAL 79 Cb -0.15 -1.79 -0.05 0.00 0.56 0.00 0.00 36.38 34.96 1vyn s VAL 79 CO 0.08 -0.76 0.31 0.42 -0.31 0.00 0.00 175.10 174.85 1vyn s THR 80 N -3.80 5.22 0.50 5.32 -4.23 -1.26 -1.48 115.64 115.91 1vyn s THR 80 Ca 0.15 0.39 0.15 0.00 -1.18 0.00 0.00 61.69 61.20 1vyn s THR 80 Cb 0.07 -3.60 0.26 0.00 1.34 0.00 0.00 72.50 70.57 1vyn s THR 80 CO -0.03 0.42 2.12 0.40 -0.54 0.00 0.00 174.62 176.99 1vyn h ILE 81 N 3.26 1.03 0.02 2.99 2.04 -1.51 0.38 117.51 125.73 1vyn h ILE 81 Ca -0.51 -0.11 -0.00 0.00 1.00 0.00 0.00 64.86 65.24 1vyn h ILE 81 Cb 1.21 0.99 0.00 0.00 -0.74 0.00 0.00 36.82 38.28 1vyn h ILE 81 CO 0.64 0.04 -0.01 0.00 0.00 0.00 0.00 178.15 178.82 1vyn h ALA 82 N 1.94 -0.03 -0.00 1.87 0.00 -1.80 0.17 119.26 121.42 1vyn h ALA 82 Ca 0.02 -0.02 -0.15 0.00 0.00 0.00 0.00 54.91 54.75 1vyn h ALA 82 Cb 0.04 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 1vyn h ALA 82 CO -0.00 -0.50 -0.71 0.77 0.00 0.00 0.00 179.25 178.81 1vyn h SER 83 N -0.06 0.01 -0.49 0.00 0.02 -1.68 -1.51 113.55 109.84 1vyn h SER 83 Ca -0.00 -0.01 -0.01 0.00 -0.84 0.00 0.00 61.79 60.93 1vyn h SER 83 Cb 0.06 -0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.57 1vyn h SER 83 CO 0.00 0.72 0.25 0.22 -1.14 0.00 0.00 176.83 176.89 1vyn h TYR 84 N 0.00 0.69 -0.03 3.45 3.20 0.01 0.29 116.97 124.58 1vyn h TYR 84 Ca -0.01 -0.03 -0.17 0.00 3.14 0.00 0.00 58.73 61.67 1vyn h TYR 84 Cb 1.26 -0.22 -0.01 0.00 1.54 0.00 0.00 36.73 39.30 1vyn h TYR 84 CO 0.00 0.54 -0.73 0.74 -1.64 0.00 0.00 178.16 177.07 1vyn h PHE 85 N 0.65 0.27 -0.37 -3.82 -1.00 -0.95 -3.17 116.94 108.54 1vyn h PHE 85 Ca 0.17 -0.12 -0.06 0.00 2.81 0.00 0.00 57.97 60.77 1vyn h PHE 85 Cb 0.09 -0.04 -0.02 0.00 3.61 0.00 0.00 35.95 39.59 1vyn h PHE 85 CO -0.01 0.85 -0.03 1.25 -1.61 0.00 0.00 178.31 178.76 1vyn h HIS 86 N 0.13 0.63 0.00 -0.55 2.76 -0.57 0.69 115.15 118.24 1vyn h HIS 86 Ca -0.02 -0.08 0.00 0.00 -2.20 0.00 0.00 60.37 58.07 1vyn h HIS 86 Cb 1.28 -0.18 0.00 0.00 1.55 0.00 0.00 27.41 30.07 1vyn h HIS 86 CO 0.02 0.63 0.00 0.45 -1.30 0.00 0.00 177.93 177.73 1vyn n SER 87 N -4.24 0.29 -1.49 3.26 2.88 0.95 -1.51 113.62 113.76 1vyn n SER 87 Ca 0.02 0.55 0.08 0.00 -1.33 0.00 0.00 58.87 58.19 1vyn n SER 87 Cb 0.28 -0.62 0.33 0.00 -0.75 0.00 0.00 64.21 63.45 1vyn n SER 87 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 1vyn n ARG 88 N -1.80 3.53 -1.51 -1.46 3.00 0.09 -4.91 116.66 113.60 1vyn n ARG 88 Ca 0.04 -2.59 -0.13 0.00 -0.01 0.00 0.00 57.85 55.16 1vyn n ARG 88 Cb 0.26 -1.86 -0.05 0.00 0.00 0.00 0.00 32.46 30.82 1vyn n ARG 88 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.63 177.72 1vyn n ASN 89 N 0.98 -4.49 -3.83 0.55 3.02 -0.57 -4.66 115.26 106.26 1vyn n ASN 89 Ca 0.23 0.27 -0.30 0.00 -0.03 0.00 0.00 54.58 54.76 1vyn n ASN 89 Cb 0.83 -3.21 -0.14 0.00 -0.61 0.00 0.00 39.78 36.66 1vyn n ASN 89 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 1vyn s TYR 90 N -2.51 2.60 -0.36 3.10 5.04 -0.33 -5.00 117.35 119.90 1vyn s TYR 90 Ca 0.00 -2.81 -0.28 0.00 -2.44 0.00 0.00 57.07 51.53 1vyn s TYR 90 Cb 0.00 -2.37 -0.01 0.00 0.35 0.00 0.00 41.96 39.93 1vyn s TYR 90 CO 0.00 -0.76 1.70 -1.25 -1.34 0.00 0.00 175.55 173.90 1vyn s PRO 91 N 0.01 3.38 0.25 4.97 0.04 -1.26 -3.25 135.00 139.14 1vyn s PRO 91 Ca 0.17 1.28 -0.31 0.00 0.04 0.00 0.00 61.00 62.19 1vyn s PRO 91 Cb -0.25 -4.16 -0.13 0.00 0.04 0.00 0.00 34.50 30.00 1vyn s PRO 91 CO 0.00 -1.80 1.41 1.28 0.04 0.00 0.00 177.00 177.93 1vyn n LEU 92 N 9.95 3.18 0.18 -3.56 4.77 -1.26 -4.88 117.00 125.39 1vyn n LEU 92 Ca 0.21 1.15 0.07 0.00 -0.03 0.00 0.00 56.01 57.41 1vyn n LEU 92 Cb 0.47 -1.44 0.15 0.00 -2.33 0.00 0.00 43.42 40.27 1vyn n LEU 92 CO 0.69 -0.46 0.65 0.11 -1.33 0.00 0.00 177.39 177.05 1vyn h LYS 93 N 4.15 0.00 -2.07 3.23 1.57 -2.00 -3.35 116.57 118.10 1vyn h LYS 93 Ca -0.45 0.00 -0.54 0.00 -1.87 0.00 0.00 60.65 57.79 1vyn h LYS 93 Cb 1.27 0.00 -0.40 0.00 0.08 0.00 0.00 32.23 33.18 1vyn h LYS 93 CO 0.75 0.27 -1.01 1.19 -0.57 0.00 0.00 179.45 180.08 1vyn n PHE 94 N -3.19 1.02 0.29 -1.35 3.72 -1.26 -4.56 117.46 112.13 1vyn n PHE 94 Ca 0.02 -3.80 0.19 0.00 -0.05 0.00 0.00 57.45 53.81 1vyn n PHE 94 Cb 0.61 -0.42 0.95 0.00 -0.94 0.00 0.00 39.48 39.68 1vyn n PHE 94 CO 0.00 0.00 0.00 -1.35 -0.05 0.00 0.00 176.76 175.36 1vyn h PRO 95 N 3.49 0.00 -0.25 -1.08 0.11 -1.97 -2.13 132.00 130.17 1vyn h PRO 95 Ca 0.11 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.22 1vyn h PRO 95 Cb 0.83 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.94 1vyn h PRO 95 CO 0.58 0.00 0.00 1.04 -0.21 0.00 0.00 178.00 179.41 1vyn n GLN 96 N -2.84 1.61 -2.72 1.05 6.02 -1.26 -2.03 117.38 117.21 1vyn n GLN 96 Ca -0.02 -0.95 -0.40 0.00 -0.01 0.00 0.00 57.00 55.62 1vyn n GLN 96 Cb 0.11 -1.23 -0.05 0.00 1.02 0.00 0.00 30.24 30.08 1vyn n GLN 96 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 1vyn s LEU 97 N -1.08 4.61 0.50 1.08 1.43 -0.80 -4.56 118.68 119.86 1vyn s LEU 97 Ca 0.20 1.94 -0.23 0.00 -1.03 0.00 0.00 54.13 55.01 1vyn s LEU 97 Cb 0.10 -3.61 -0.06 0.00 0.03 0.00 0.00 46.19 42.66 1vyn s LEU 97 CO 0.14 0.08 1.35 -1.00 0.23 0.00 0.00 176.35 177.16 1vyn s HIS 98 N -0.90 2.42 0.04 0.29 3.76 -1.26 -0.46 115.29 119.17 1vyn s HIS 98 Ca 0.43 1.36 -0.30 0.00 -0.15 0.00 0.00 55.06 56.40 1vyn s HIS 98 Cb -0.26 -3.78 -0.04 0.00 1.11 0.00 0.00 32.58 29.60 1vyn s HIS 98 CO 0.32 -2.73 1.08 0.00 -0.85 0.00 0.00 174.74 172.57 1vyn s LEU 100 N 0.95 4.36 -0.53 0.00 2.96 0.93 -0.41 118.68 126.94 1vyn s LEU 100 Ca 0.55 2.42 -0.07 0.00 -0.22 0.00 0.00 54.13 56.81 1vyn s LEU 100 Cb -0.25 -3.56 0.14 0.00 0.50 0.00 0.00 46.19 43.01 1vyn s LEU 100 CO 0.29 -0.85 0.38 0.21 -1.32 0.00 0.00 176.35 175.06 1vyn s ASN 101 N 2.26 5.59 0.33 3.68 2.47 0.49 -1.36 114.94 128.40 1vyn s ASN 101 Ca 0.72 -2.26 0.08 0.00 0.42 0.00 0.00 52.86 51.82 1vyn s ASN 101 Cb -0.38 -1.95 -0.04 0.00 -1.45 0.00 0.00 41.25 37.43 1vyn s ASN 101 CO 0.31 -0.57 0.15 0.68 -3.72 0.00 0.00 177.10 173.96 1vyn s VAL 102 N 0.82 3.15 0.00 -5.21 -7.23 -0.13 -0.97 120.40 110.83 1vyn s VAL 102 Ca 0.10 -1.66 0.00 0.00 -1.81 0.00 0.00 61.98 58.61 1vyn s VAL 102 Cb -0.22 -3.01 0.00 0.00 0.56 0.00 0.00 36.38 33.71 1vyn s VAL 102 CO -0.03 -0.20 0.00 0.61 -0.31 0.00 0.00 175.10 175.17 1vyn n GLY 103 N -1.16 0.90 3.32 2.32 0.00 -0.37 -0.35 105.19 109.85 1vyn n GLY 103 Ca -0.03 -1.05 -0.18 0.00 0.00 0.00 0.00 46.02 44.76 1vyn n GLY 103 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1vyn s SER 104 N -4.00 1.36 0.14 1.61 1.04 -0.50 -4.86 113.70 108.49 1vyn s SER 104 Ca 0.00 -1.51 -0.03 0.00 0.48 0.00 0.00 55.95 54.89 1vyn s SER 104 Cb 0.00 0.34 -0.06 0.00 0.10 0.00 0.00 66.02 66.39 1vyn s SER 104 CO 0.00 -0.85 1.33 0.28 0.98 0.00 0.00 173.24 174.98 1vyn h SER 105 N 2.28 0.50 0.65 7.02 0.02 -2.00 -3.20 113.55 118.83 1vyn h SER 105 Ca -0.35 -0.39 -0.24 0.00 -0.84 0.00 0.00 61.79 59.97 1vyn h SER 105 Cb 1.25 -0.15 -0.00 0.00 0.14 0.00 0.00 62.40 63.63 1vyn h SER 105 CO 0.54 1.18 -1.09 0.16 -1.14 0.00 0.00 176.83 176.48 1vyn h ILE 106 N 0.23 1.52 -3.42 3.27 3.07 -2.01 -3.40 117.51 116.77 1vyn h ILE 106 Ca -0.07 -2.96 -0.58 0.00 1.55 0.00 0.00 64.86 62.81 1vyn h ILE 106 Cb 1.53 2.76 -0.39 0.00 -0.27 0.00 0.00 36.82 40.45 1vyn h ILE 106 CO 0.15 0.86 -0.77 -0.75 -1.05 0.00 0.00 178.15 176.60 1vyn s LYS 107 N -2.86 1.11 -0.06 0.16 2.47 -1.24 -5.12 119.74 114.20 1vyn s LYS 107 Ca -0.03 -0.89 -0.11 0.00 -1.56 0.00 0.00 55.97 53.37 1vyn s LYS 107 Cb 0.08 -2.35 -0.05 0.00 -1.46 0.00 0.00 37.83 34.06 1vyn s LYS 107 CO 0.86 -0.72 0.29 -1.12 0.16 0.00 0.00 175.35 174.82 1vyn s SER 108 N 1.55 6.61 -0.28 1.43 0.01 -1.21 -1.41 113.70 120.41 1vyn s SER 108 Ca 0.00 0.73 -0.06 0.00 1.31 0.00 0.00 55.95 57.93 1vyn s SER 108 Cb -0.18 -2.17 0.01 0.00 0.21 0.00 0.00 66.02 63.89 1vyn s SER 108 CO -0.11 0.34 0.04 -0.63 0.41 0.00 0.00 173.24 173.29 1vyn s ILE 109 N -0.93 3.74 -0.27 1.44 1.01 0.53 -4.97 121.20 121.74 1vyn s ILE 109 Ca 0.20 -0.70 -0.08 0.00 0.00 0.00 0.00 60.65 60.06 1vyn s ILE 109 Cb -0.14 -2.89 -0.02 0.00 0.01 0.00 0.00 42.46 39.41 1vyn s ILE 109 CO 0.09 0.15 0.11 -0.76 0.00 0.00 0.00 174.94 174.52 1vyn s LEU 110 N 1.47 3.73 -0.05 2.97 1.43 -1.25 -0.96 118.68 126.02 1vyn s LEU 110 Ca 0.03 -0.32 -0.05 0.00 -1.03 0.00 0.00 54.13 52.75 1vyn s LEU 110 Cb -0.17 -1.96 0.01 0.00 0.03 0.00 0.00 46.19 44.10 1vyn s LEU 110 CO 0.01 -0.10 0.14 -1.48 0.23 0.00 0.00 176.35 175.15 1vyn s LEU 111 N 1.62 1.47 0.28 1.79 2.34 -0.47 -4.89 118.68 120.82 1vyn s LEU 111 Ca 0.06 0.23 -0.29 0.00 0.06 0.00 0.00 54.13 54.19 1vyn s LEU 111 Cb -0.16 0.51 -0.10 0.00 -0.56 0.00 0.00 46.19 45.88 1vyn s LEU 111 CO 0.05 -0.08 1.37 -2.84 -1.06 0.00 0.00 176.35 173.79 1vyn s PRO 112 N -0.08 4.31 0.05 1.48 0.02 -1.26 -0.05 135.00 139.48 1vyn s PRO 112 Ca -0.02 2.24 0.09 0.00 0.02 0.00 0.00 61.00 63.34 1vyn s PRO 112 Cb -0.02 -3.10 0.42 0.00 0.02 0.00 0.00 34.50 31.82 1vyn s PRO 112 CO 0.00 -0.31 1.29 1.51 -0.33 0.00 0.00 177.00 179.16 1vyn n ILE 113 N 1.72 1.44 -0.29 2.83 0.13 -1.26 -2.69 119.36 121.24 1vyn n ILE 113 Ca 0.04 0.41 0.24 0.00 -1.10 0.00 0.00 62.75 62.33 1vyn n ILE 113 Cb 0.41 -1.31 0.55 0.00 -0.84 0.00 0.00 39.64 38.46 1vyn n ILE 113 CO 0.00 0.00 0.00 -0.08 2.80 0.00 0.00 176.55 179.27 1vyn h GLU 114 N 0.00 0.31 -0.47 9.51 4.81 -1.94 -1.23 114.58 125.57 1vyn h GLU 114 Ca 0.00 -0.02 -0.12 0.00 -0.13 0.00 0.00 59.36 59.09 1vyn h GLU 114 Cb 0.12 -0.07 -0.07 0.00 0.63 0.00 0.00 28.75 29.36 1vyn h GLU 114 CO 0.00 0.21 0.09 1.28 -0.73 0.00 0.00 179.01 179.86 1vyn n LEU 115 N -4.52 4.85 -4.49 1.64 4.77 -1.10 -4.78 117.00 113.38 1vyn n LEU 115 Ca 0.23 -3.25 -0.31 0.00 -0.03 0.00 0.00 56.01 52.66 1vyn n LEU 115 Cb 0.89 -0.65 -0.12 0.00 -2.33 0.00 0.00 43.42 41.21 1vyn n LEU 115 CO 0.30 0.84 -0.47 0.00 -1.33 0.00 0.00 177.39 176.73 1vyn s SER 117 N -1.51 3.18 -0.03 0.00 0.01 0.70 -0.22 113.70 115.82 1vyn s SER 117 Ca 0.16 -0.48 -0.08 0.00 1.31 0.00 0.00 55.95 56.85 1vyn s SER 117 Cb -0.11 -0.38 -0.05 0.00 0.21 0.00 0.00 66.02 65.70 1vyn s SER 117 CO 0.06 0.30 0.26 -0.51 0.41 0.00 0.00 173.24 173.76 1vyn s ILE 118 N -0.68 5.31 -0.32 1.44 2.07 0.16 0.20 121.20 129.38 1vyn s ILE 118 Ca 0.11 0.32 -0.29 0.00 -1.41 0.00 0.00 60.65 59.38 1vyn s ILE 118 Cb -0.10 -3.54 -0.00 0.00 0.13 0.00 0.00 42.46 38.95 1vyn s ILE 118 CO 0.00 0.49 1.38 -0.70 -1.91 0.00 0.00 174.94 174.21 1vyn s GLU 119 N -1.39 3.80 0.00 3.50 2.12 -1.26 -1.29 118.70 124.19 1vyn s GLU 119 Ca 0.23 1.23 0.07 0.00 0.36 0.00 0.00 54.97 56.86 1vyn s GLU 119 Cb -0.14 -3.94 0.40 0.00 0.26 0.00 0.00 34.13 30.72 1vyn s GLU 119 CO 0.12 -1.27 0.87 -0.85 -0.54 0.00 0.00 175.26 173.58