#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 3.61 -0.18 0.00 -2.45 -0.73 -4.90 119.30 114.66 1vyn s MET 5 Ca 0.00 -0.26 -0.40 0.00 -1.25 0.00 0.00 55.69 53.79 1vyn s MET 5 Cb 0.00 -3.80 -0.17 0.00 1.25 0.00 0.00 34.83 32.11 1vyn s MET 5 CO 0.00 -0.58 1.57 -2.30 1.05 0.00 0.00 175.02 174.77 1vyn n PRO 6 N 5.57 0.97 0.24 4.11 -0.02 -1.26 0.20 135.00 144.82 1vyn n PRO 6 Ca -0.07 0.35 0.09 0.00 -2.02 0.00 0.00 63.50 61.86 1vyn n PRO 6 Cb 0.49 -2.00 0.61 0.00 -0.02 0.00 0.00 33.50 32.58 1vyn n PRO 6 CO 0.00 0.00 0.00 1.98 1.98 0.00 0.00 175.50 179.46 1vyn h MET 7 N 5.99 0.00 -0.72 -0.52 4.05 -1.26 0.13 114.93 122.59 1vyn h MET 7 Ca -0.47 0.00 -0.05 0.00 -0.28 0.00 0.00 59.70 58.90 1vyn h MET 7 Cb 1.33 0.00 -0.03 0.00 -0.80 0.00 0.00 31.60 32.10 1vyn h MET 7 CO 0.89 0.16 0.24 0.82 0.23 0.00 0.00 176.91 179.26 1vyn h ILE 8 N 0.00 1.25 -0.64 1.77 1.08 -1.75 -0.23 117.51 118.99 1vyn h ILE 8 Ca -0.00 -0.86 -0.03 0.00 -0.39 0.00 0.00 64.86 63.58 1vyn h ILE 8 Cb 0.35 0.44 -0.03 0.00 -3.07 0.00 0.00 36.82 34.51 1vyn h ILE 8 CO 0.02 0.34 0.29 -0.08 -0.69 0.00 0.00 178.15 178.03 1vyn h GLU 9 N 1.07 0.94 -0.53 2.37 4.57 -1.35 -0.61 114.58 121.03 1vyn h GLU 9 Ca 0.24 -0.15 -0.01 0.00 -1.18 0.00 0.00 59.36 58.26 1vyn h GLU 9 Cb 0.28 -0.16 -0.03 0.00 -0.16 0.00 0.00 28.75 28.68 1vyn h GLU 9 CO -0.01 0.77 0.31 -0.92 -1.18 0.00 0.00 179.01 177.98 1vyn h TYR 10 N 0.89 0.71 -0.18 0.92 3.20 -0.97 -1.66 116.97 119.89 1vyn h TYR 10 Ca 0.22 -0.01 -0.00 0.00 3.14 0.00 0.00 58.73 62.08 1vyn h TYR 10 Cb 0.15 -0.23 -0.01 0.00 1.54 0.00 0.00 36.73 38.18 1vyn h TYR 10 CO 0.01 0.50 0.11 -0.07 -1.64 0.00 0.00 178.16 177.07 1vyn h LEU 11 N 0.72 0.22 0.28 2.82 3.38 -0.59 0.16 115.31 122.29 1vyn h LEU 11 Ca 0.19 -0.06 -0.01 0.00 0.09 0.00 0.00 57.88 58.09 1vyn h LEU 11 Cb 0.01 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 40.70 1vyn h LEU 11 CO -0.03 0.21 -0.14 -0.08 0.09 0.00 0.00 178.44 178.50 1vyn h GLU 12 N 0.21 -0.36 -0.24 1.13 4.81 -0.95 0.34 114.58 119.51 1vyn h GLU 12 Ca 0.06 0.02 -0.07 0.00 -0.13 0.00 0.00 59.36 59.25 1vyn h GLU 12 Cb 0.04 0.08 -0.01 0.00 0.63 0.00 0.00 28.75 29.49 1vyn h GLU 12 CO -0.01 -0.23 -0.11 0.00 -0.73 0.00 0.00 179.01 177.93 1vyn h ARG 13 N -0.40 0.50 0.00 1.92 3.08 -1.26 -1.76 114.38 116.46 1vyn h ARG 13 Ca -0.04 -0.22 -0.31 0.00 0.07 0.00 0.00 59.98 59.49 1vyn h ARG 13 Cb 0.31 -0.01 -0.06 0.00 0.08 0.00 0.00 29.97 30.29 1vyn h ARG 13 CO 0.06 0.76 -2.17 1.19 -1.07 0.00 0.00 179.97 178.74 1vyn n PHE 14 N -4.50 0.00 0.05 3.04 3.72 0.54 -3.98 117.46 116.33 1vyn n PHE 14 Ca -0.04 0.00 -0.23 0.00 -0.05 0.00 0.00 57.45 57.13 1vyn n PHE 14 Cb 0.34 -0.79 -0.15 0.00 -0.94 0.00 0.00 39.48 37.94 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 -0.01 0.56 0.16 4.37 0.87 -0.47 -3.38 113.55 115.64 1vyn h SER 15 Ca -0.46 -0.94 -0.36 0.00 -1.23 0.00 0.00 61.79 58.81 1vyn h SER 15 Cb 1.71 -0.18 -0.04 0.00 -0.44 0.00 0.00 62.40 63.45 1vyn h SER 15 CO -0.07 1.80 -2.10 0.18 -0.53 0.00 0.00 176.83 176.10 1vyn n LEU 16 N -3.60 2.07 -0.57 2.23 4.32 0.69 -4.97 117.00 117.16 1vyn n LEU 16 Ca -0.27 0.14 -0.07 0.00 -0.02 0.00 0.00 56.01 55.79 1vyn n LEU 16 Cb 1.05 -0.63 -0.03 0.00 -1.62 0.00 0.00 43.42 42.20 1vyn n LEU 16 CO 0.49 0.74 -0.07 0.29 -1.22 0.00 0.00 177.39 177.62 1vyn n LYS 17 N -3.26 -0.92 0.00 3.23 4.76 -0.67 -4.91 118.16 116.40 1vyn n LYS 17 Ca -0.32 0.68 0.00 0.00 -2.87 0.00 0.00 58.31 55.80 1vyn n LYS 17 Cb 1.05 -4.62 0.00 0.00 -1.84 0.00 0.00 35.03 29.62 1vyn n LYS 17 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1vyn n ALA 18 N 1.14 0.00 -2.24 7.82 0.00 -1.18 -5.02 120.51 121.02 1vyn n ALA 18 Ca -0.07 0.00 -0.40 0.00 0.00 0.00 0.00 53.44 52.97 1vyn n ALA 18 Cb 0.35 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.74 1vyn n ALA 18 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 1vyn s LYS 19 N 3.18 4.49 -0.11 0.00 2.47 -1.26 -4.68 119.74 123.83 1vyn s LYS 19 Ca 0.00 1.06 -0.03 0.00 -1.56 0.00 0.00 55.97 55.43 1vyn s LYS 19 Cb 0.00 -3.31 -0.03 0.00 -1.46 0.00 0.00 37.83 33.02 1vyn s LYS 19 CO 0.00 0.42 0.03 -1.50 0.16 0.00 0.00 175.35 174.47 1vyn s ILE 20 N -0.55 4.57 0.00 5.43 -1.16 -1.26 -4.83 121.20 123.40 1vyn s ILE 20 Ca 0.36 -0.14 0.00 0.00 -0.51 0.00 0.00 60.65 60.36 1vyn s ILE 20 Cb -0.21 -2.96 0.00 0.00 0.61 0.00 0.00 42.46 39.90 1vyn s ILE 20 CO 0.24 0.59 0.00 -3.20 -2.81 0.00 0.00 174.94 169.75 1vyn n ASN 21 N 2.32 0.00 0.22 4.50 2.85 -1.26 -4.94 115.26 118.95 1vyn n ASN 21 Ca -0.19 0.00 0.13 0.00 -0.11 0.00 0.00 54.58 54.42 1vyn n ASN 21 Cb 0.54 0.00 0.32 0.00 1.24 0.00 0.00 39.78 41.87 1vyn n ASN 21 CO 0.00 0.00 0.00 -1.13 -2.11 0.00 0.00 177.26 174.02 1vyn h ASN 22 N 0.00 0.00 1.38 1.20 -0.00 -1.99 -2.87 115.58 113.30 1vyn h ASN 22 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 56.30 56.30 1vyn h ASN 22 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 38.32 38.32 1vyn h ASN 22 CO 0.00 0.00 -0.05 0.35 -0.00 0.00 0.00 177.43 177.73 1vyn n THR 23 N -2.98 0.51 -3.39 -3.57 -2.24 -1.26 -4.74 114.28 96.61 1vyn n THR 23 Ca 0.03 -0.25 -0.29 0.00 -2.27 0.00 0.00 64.05 61.27 1vyn n THR 23 Cb 0.46 -0.54 -0.04 0.00 -2.10 0.00 0.00 70.33 68.12 1vyn n THR 23 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 1vyn s THR 24 N -3.09 5.03 -1.60 4.28 -4.23 -1.08 -4.97 115.64 109.96 1vyn s THR 24 Ca 0.11 0.12 -0.10 0.00 -1.18 0.00 0.00 61.69 60.63 1vyn s THR 24 Cb 0.13 -3.70 -0.07 0.00 1.34 0.00 0.00 72.50 70.20 1vyn s THR 24 CO 0.60 -0.24 2.88 0.59 -0.54 0.00 0.00 174.62 177.91 1vyn n ASN 25 N -0.68 8.37 0.10 3.99 3.02 -1.26 -4.42 115.26 124.37 1vyn n ASN 25 Ca -0.01 -2.62 0.12 0.00 -0.03 0.00 0.00 54.58 52.03 1vyn n ASN 25 Cb 0.53 -1.56 0.45 0.00 -0.61 0.00 0.00 39.78 38.60 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 3.68 0.58 0.02 3.41 7.94 -1.26 -3.25 117.00 128.11 1vyn n LEU 26 Ca 0.76 0.61 -0.10 0.00 -1.11 0.00 0.00 56.01 56.17 1vyn n LEU 26 Cb 0.24 -0.49 -0.04 0.00 0.53 0.00 0.00 43.42 43.66 1vyn n LEU 26 CO 0.85 -0.38 0.80 -0.78 -1.11 0.00 0.00 177.39 176.78 1vyn h ASP 27 N 0.00 -0.28 0.16 1.96 1.82 -1.94 0.60 116.42 118.74 1vyn h ASP 27 Ca 0.00 0.05 -0.11 0.00 -0.39 0.00 0.00 57.03 56.58 1vyn h ASP 27 Cb 0.46 0.14 -0.01 0.00 0.68 0.00 0.00 39.33 40.60 1vyn h ASP 27 CO 0.00 -0.13 -0.41 1.88 -1.61 0.00 0.00 179.24 178.97 1vyn h TYR 28 N -0.12 0.38 -0.56 0.28 0.05 -1.94 -1.49 116.97 113.58 1vyn h TYR 28 Ca 0.06 -0.11 -0.08 0.00 0.05 0.00 0.00 58.73 58.66 1vyn h TYR 28 Cb 0.21 -0.08 -0.02 0.00 1.01 0.00 0.00 36.73 37.84 1vyn h TYR 28 CO -0.19 0.69 0.05 0.77 -1.05 0.00 0.00 178.16 178.43 1vyn h SER 29 N 0.27 0.89 -0.42 3.88 0.02 -1.51 -2.04 113.55 114.63 1vyn h SER 29 Ca 0.02 -0.21 -0.02 0.00 -0.84 0.00 0.00 61.79 60.74 1vyn h SER 29 Cb 0.85 -0.24 -0.02 0.00 0.14 0.00 0.00 62.40 63.13 1vyn h SER 29 CO 0.07 0.92 0.18 -0.09 -1.14 0.00 0.00 176.83 176.77 1vyn h ARG 30 N 0.87 0.62 -0.28 3.45 9.65 0.92 -0.66 114.38 128.95 1vyn h ARG 30 Ca 0.17 -0.10 -0.14 0.00 -1.10 0.00 0.00 59.98 58.81 1vyn h ARG 30 Cb 0.44 -0.11 -0.01 0.00 -1.39 0.00 0.00 29.97 28.91 1vyn h ARG 30 CO 0.02 0.56 -0.40 0.00 2.80 0.00 0.00 179.97 182.95 1vyn h ARG 31 N 0.54 0.66 0.00 0.20 3.08 -1.13 -2.95 114.38 114.78 1vyn h ARG 31 Ca 0.14 -0.34 -0.00 0.00 0.07 0.00 0.00 59.98 59.85 1vyn h ARG 31 Cb 0.16 0.01 -0.00 0.00 0.08 0.00 0.00 29.97 30.22 1vyn h ARG 31 CO -0.01 0.94 -0.51 0.27 -1.07 0.00 0.00 179.97 179.59 1vyn h PHE 32 N 0.54 0.00 -0.00 3.04 -0.00 -1.30 -3.21 116.94 116.01 1vyn h PHE 32 Ca 0.05 0.00 0.00 0.00 -0.00 0.00 0.00 57.97 58.02 1vyn h PHE 32 Cb 0.93 0.00 0.00 0.00 -0.00 0.00 0.00 35.95 36.88 1vyn h PHE 32 CO 0.04 0.00 -0.19 -0.11 -0.00 0.00 0.00 178.31 178.06 1vyn n LEU 33 N -2.89 0.46 0.03 2.10 7.94 -0.26 -4.26 117.00 120.12 1vyn n LEU 33 Ca 0.02 0.06 -0.12 0.00 -1.11 0.00 0.00 56.01 54.86 1vyn n LEU 33 Cb 0.54 -0.25 -0.05 0.00 0.53 0.00 0.00 43.42 44.20 1vyn n LEU 33 CO 0.37 0.09 0.63 -0.08 -1.11 0.00 0.00 177.39 177.30 1vyn h GLU 34 N 0.42 -0.44 0.00 1.96 4.81 -1.52 0.17 114.58 119.97 1vyn h GLU 34 Ca 0.00 0.03 -0.03 0.00 -0.13 0.00 0.00 59.36 59.23 1vyn h GLU 34 Cb 0.43 0.10 -0.00 0.00 0.63 0.00 0.00 28.75 29.91 1vyn h GLU 34 CO 0.00 -0.29 -0.12 -1.00 -0.73 0.00 0.00 179.01 176.86 1vyn h PRO 35 N -0.46 0.00 -0.10 0.92 0.13 -1.84 -0.15 132.00 130.51 1vyn h PRO 35 Ca 0.07 0.00 -0.20 0.00 -0.87 0.00 0.00 66.00 65.00 1vyn h PRO 35 Cb 0.57 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.70 1vyn h PRO 35 CO -0.32 0.12 -0.76 0.35 -0.23 0.00 0.00 178.00 177.16 1vyn h PHE 36 N 0.00 0.75 0.00 1.56 3.57 -1.37 -3.19 116.94 118.26 1vyn h PHE 36 Ca -0.00 -0.34 0.00 0.00 3.53 0.00 0.00 57.97 61.16 1vyn h PHE 36 Cb 0.43 -0.11 0.00 0.00 2.79 0.00 0.00 35.95 39.05 1vyn h PHE 36 CO 0.00 1.13 -1.02 1.28 -2.23 0.00 0.00 178.31 177.46 1vyn n LEU 37 N -3.87 0.75 -4.54 0.59 4.77 0.44 -4.82 117.00 110.31 1vyn n LEU 37 Ca -0.06 0.26 -0.35 0.00 -0.03 0.00 0.00 56.01 55.83 1vyn n LEU 37 Cb 0.73 -0.08 -0.05 0.00 -2.33 0.00 0.00 43.42 41.69 1vyn n LEU 37 CO 0.50 -0.13 1.99 -1.14 -1.33 0.00 0.00 177.39 177.28 1vyn n ARG 38 N -2.50 0.86 0.00 3.23 0.63 -0.09 -2.04 116.66 116.75 1vyn n ARG 38 Ca 0.00 -0.08 0.00 0.00 -0.92 0.00 0.00 57.85 56.86 1vyn n ARG 38 Cb 0.52 -3.20 0.00 0.00 0.45 0.00 0.00 32.46 30.23 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 6.13 1.01 3.66 5.14 0.00 0.94 -4.96 105.19 117.11 1vyn n GLY 39 Ca 0.42 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 46.14 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 -2.00 1.35 -0.05 -0.61 -4.36 -0.87 -4.95 121.20 109.71 1vyn s ILE 40 Ca 0.00 -2.00 0.04 0.00 -0.26 0.00 0.00 60.65 58.43 1vyn s ILE 40 Cb 0.00 -2.50 -0.00 0.00 1.25 0.00 0.00 42.46 41.21 1vyn s ILE 40 CO 0.00 0.00 -0.16 0.20 0.24 0.00 0.00 174.94 175.22 1vyn s ASN 41 N -3.76 2.09 0.04 4.36 0.01 -1.26 0.05 114.94 116.48 1vyn s ASN 41 Ca 0.20 -0.35 0.04 0.00 -0.71 0.00 0.00 52.86 52.04 1vyn s ASN 41 Cb 0.05 -0.66 -0.02 0.00 0.41 0.00 0.00 41.25 41.03 1vyn s ASN 41 CO 0.10 0.13 -0.12 0.68 -1.51 0.00 0.00 177.10 176.38 1vyn s VAL 42 N 0.16 0.95 -0.35 1.60 -7.23 -0.56 -4.52 120.40 110.45 1vyn s VAL 42 Ca -0.06 -1.00 -0.20 0.00 -1.81 0.00 0.00 61.98 58.91 1vyn s VAL 42 Cb -0.12 -0.89 0.00 0.00 0.56 0.00 0.00 36.38 35.93 1vyn s VAL 42 CO 0.03 -0.10 0.60 -0.69 -0.31 0.00 0.00 175.10 174.63 1vyn s VAL 43 N -0.96 4.92 -0.33 1.32 1.01 0.12 -0.39 120.40 126.10 1vyn s VAL 43 Ca -0.01 0.52 -0.22 0.00 0.00 0.00 0.00 61.98 62.26 1vyn s VAL 43 Cb -0.08 -4.05 0.00 0.00 0.00 0.00 0.00 36.38 32.25 1vyn s VAL 43 CO 0.01 -0.29 0.72 -0.47 0.00 0.00 0.00 175.10 175.08 1vyn s TYR 44 N 2.62 3.17 -0.54 5.22 5.04 0.73 -0.12 117.35 133.48 1vyn s TYR 44 Ca 0.23 0.60 -0.22 0.00 -2.44 0.00 0.00 57.07 55.23 1vyn s TYR 44 Cb -0.15 -3.21 0.05 0.00 0.35 0.00 0.00 41.96 39.00 1vyn s TYR 44 CO 0.14 -0.61 0.82 0.95 -1.34 0.00 0.00 175.55 175.52 1vyn s THR 45 N 2.88 4.57 0.13 4.34 -4.23 -0.30 -2.12 115.64 120.91 1vyn s THR 45 Ca 0.29 -0.03 -0.28 0.00 -1.18 0.00 0.00 61.69 60.49 1vyn s THR 45 Cb -0.14 -4.45 -0.07 0.00 1.34 0.00 0.00 72.50 69.18 1vyn s THR 45 CO 0.14 -1.00 0.89 -2.16 -0.54 0.00 0.00 174.62 171.94 1vyn s PRO 46 N 3.44 4.66 0.32 3.99 0.05 -1.26 -4.85 135.00 141.35 1vyn s PRO 46 Ca 0.24 1.33 -0.29 0.00 0.05 0.00 0.00 61.00 62.33 1vyn s PRO 46 Cb -0.15 -3.34 -0.13 0.00 0.05 0.00 0.00 34.50 30.93 1vyn s PRO 46 CO 0.16 0.33 1.28 -2.30 0.05 0.00 0.00 177.00 176.53 1vyn n PRO 47 N 2.39 2.03 0.00 0.56 -0.02 -1.26 -4.86 135.00 133.85 1vyn n PRO 47 Ca -0.01 0.71 0.06 0.00 -2.02 0.00 0.00 63.50 62.25 1vyn n PRO 47 Cb 0.49 -2.28 0.29 0.00 -0.02 0.00 0.00 33.50 31.97 1vyn n PRO 47 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 1vyn n GLN 48 N 0.84 0.09 0.24 -0.52 6.02 -1.26 -0.12 117.38 122.67 1vyn n GLN 48 Ca 0.06 0.23 0.12 0.00 -0.01 0.00 0.00 57.00 57.40 1vyn n GLN 48 Cb 0.35 -1.50 0.59 0.00 1.02 0.00 0.00 30.24 30.70 1vyn n GLN 48 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 177.06 177.08 1vyn h SER 49 N 0.00 0.00 0.99 1.08 0.87 -1.89 -2.83 113.55 111.77 1vyn h SER 49 Ca 0.00 0.00 -0.16 0.00 -1.23 0.00 0.00 61.79 60.40 1vyn h SER 49 Cb 0.16 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 62.10 1vyn h SER 49 CO 0.00 0.17 -0.74 -0.26 -0.53 0.00 0.00 176.83 175.46 1vyn h PHE 50 N 0.00 0.00 -2.56 2.24 -1.00 -0.84 -3.47 116.94 111.31 1vyn h PHE 50 Ca -0.00 0.00 -0.26 0.00 2.81 0.00 0.00 57.97 60.52 1vyn h PHE 50 Cb 0.57 0.00 0.02 0.00 3.61 0.00 0.00 35.95 40.15 1vyn h PHE 50 CO 0.00 0.74 -0.37 1.04 -1.61 0.00 0.00 178.31 178.12 1vyn n GLN 51 N -3.45 -2.30 -4.39 1.51 6.02 -1.07 -5.01 117.38 108.69 1vyn n GLN 51 Ca 0.00 0.60 -0.29 0.00 -0.01 0.00 0.00 57.00 57.31 1vyn n GLN 51 Cb 0.78 -4.79 -0.13 0.00 1.02 0.00 0.00 30.24 27.12 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 -2.66 3.41 0.16 1.08 0.01 -1.26 -5.13 113.70 109.31 1vyn s SER 52 Ca 0.12 -0.76 -0.19 0.00 1.31 0.00 0.00 55.95 56.43 1vyn s SER 52 Cb -0.05 -0.26 -0.08 0.00 0.21 0.00 0.00 66.02 65.84 1vyn s SER 52 CO 0.14 0.17 0.66 0.00 0.41 0.00 0.00 173.24 174.62 1vyn s ALA 53 N -1.21 3.50 -0.52 1.44 0.00 -1.26 -4.68 121.76 119.03 1vyn s ALA 53 Ca 0.16 0.10 -0.37 0.00 0.00 0.00 0.00 51.96 51.84 1vyn s ALA 53 Cb -0.10 -2.73 -0.16 0.00 0.00 0.00 0.00 23.12 20.14 1vyn s ALA 53 CO 0.07 0.37 2.27 -2.30 0.00 0.00 0.00 175.76 176.17 1vyn n PRO 54 N 1.11 0.49 -4.28 0.00 -0.02 -1.26 -4.85 135.00 126.20 1vyn n PRO 54 Ca -0.05 0.11 -0.35 0.00 -2.02 0.00 0.00 63.50 61.19 1vyn n PRO 54 Cb 0.51 -2.01 -0.10 0.00 -0.02 0.00 0.00 33.50 31.88 1vyn n PRO 54 CO 0.00 0.00 0.00 0.50 1.98 0.00 0.00 175.50 177.98 1vyn s ARG 55 N 6.75 3.41 -0.37 -0.52 6.06 -0.90 -4.82 118.95 128.55 1vyn s ARG 55 Ca 1.17 -0.41 -0.25 0.00 -2.50 0.00 0.00 55.73 53.74 1vyn s ARG 55 Cb -1.12 -2.93 0.01 0.00 0.06 0.00 0.00 34.95 30.97 1vyn s ARG 55 CO 0.54 0.49 0.88 0.08 -2.50 0.00 0.00 175.30 174.78 1vyn s VAL 56 N -0.28 4.63 -0.05 7.11 1.01 -1.26 -0.19 120.40 131.37 1vyn s VAL 56 Ca 0.06 1.08 -0.00 0.00 0.00 0.00 0.00 61.98 63.12 1vyn s VAL 56 Cb -0.12 -4.29 -0.03 0.00 0.00 0.00 0.00 36.38 31.93 1vyn s VAL 56 CO 0.02 -0.51 -0.00 -0.31 0.00 0.00 0.00 175.10 174.30 1vyn s TYR 57 N 3.35 3.11 -0.29 5.22 2.02 0.48 -4.92 117.35 126.31 1vyn s TYR 57 Ca 0.36 0.13 -0.22 0.00 -0.37 0.00 0.00 57.07 56.97 1vyn s TYR 57 Cb -0.12 -1.73 -0.01 0.00 -0.40 0.00 0.00 41.96 39.70 1vyn s TYR 57 CO 0.18 0.45 0.70 0.50 -1.57 0.00 0.00 175.55 175.82 1vyn s ARG 58 N -1.15 3.98 -0.41 -0.62 6.06 -1.26 -1.49 118.95 124.06 1vyn s ARG 58 Ca 0.16 0.50 -0.28 0.00 -2.50 0.00 0.00 55.73 53.60 1vyn s ARG 58 Cb -0.11 -3.71 0.02 0.00 0.06 0.00 0.00 34.95 31.21 1vyn s ARG 58 CO 0.05 -0.58 1.05 0.08 -2.50 0.00 0.00 175.30 173.41 1vyn s VAL 59 N 2.74 4.40 0.17 7.11 1.01 0.11 -2.20 120.40 133.74 1vyn s VAL 59 Ca 0.29 1.32 0.05 0.00 0.00 0.00 0.00 61.98 63.64 1vyn s VAL 59 Cb -0.15 -4.47 -0.15 0.00 0.00 0.00 0.00 36.38 31.61 1vyn s VAL 59 CO 0.11 -0.73 1.39 -1.13 0.00 0.00 0.00 175.10 174.74 1vyn h ASN 60 N 8.71 0.14 0.00 3.32 -0.73 -1.71 0.27 115.58 125.58 1vyn h ASN 60 Ca -0.22 -0.12 0.00 0.00 1.87 0.00 0.00 56.30 57.83 1vyn h ASN 60 Cb 1.07 -0.04 0.00 0.00 0.27 0.00 0.00 38.32 39.61 1vyn h ASN 60 CO 1.06 0.94 0.00 0.61 -0.37 0.00 0.00 177.43 179.67 1vyn n GLY 61 N 0.90 -0.54 3.39 1.57 0.00 -0.96 -4.16 105.19 105.39 1vyn n GLY 61 Ca -0.02 -0.53 -0.25 0.00 0.00 0.00 0.00 46.02 45.22 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 2.45 0.36 0.99 1.43 -1.26 -0.80 118.68 121.85 1vyn s LEU 62 Ca 0.00 -0.88 -0.26 0.00 -1.03 0.00 0.00 54.13 51.97 1vyn s LEU 62 Cb 0.00 -1.03 -0.09 0.00 0.03 0.00 0.00 46.19 45.10 1vyn s LEU 62 CO 0.00 0.05 1.06 -0.55 0.23 0.00 0.00 176.35 177.15 1vyn s SER 63 N -2.72 6.92 0.12 2.29 0.15 0.27 -4.74 113.70 115.99 1vyn s SER 63 Ca 0.19 2.11 0.08 0.00 0.70 0.00 0.00 55.95 59.03 1vyn s SER 63 Cb -0.07 -2.60 0.44 0.00 -1.71 0.00 0.00 66.02 62.09 1vyn s SER 63 CO 0.09 -0.38 1.25 -2.11 1.20 0.00 0.00 173.24 173.29 1vyn n ARG 64 N 0.34 0.05 -3.98 5.44 1.85 -1.26 -4.66 116.66 114.44 1vyn n ARG 64 Ca 0.03 0.55 -0.10 0.00 -1.00 0.00 0.00 57.85 57.33 1vyn n ARG 64 Cb 0.48 -1.67 -0.11 0.00 -1.05 0.00 0.00 32.46 30.10 1vyn n ARG 64 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1vyn s ALA 65 N -3.21 0.16 0.65 2.89 0.00 -1.26 -5.14 121.76 115.85 1vyn s ALA 65 Ca -0.01 -0.55 -0.17 0.00 0.00 0.00 0.00 51.96 51.23 1vyn s ALA 65 Cb 0.02 0.12 -0.01 0.00 0.00 0.00 0.00 23.12 23.26 1vyn s ALA 65 CO 0.08 -0.13 1.21 -2.14 0.00 0.00 0.00 175.76 174.78 1vyn s PRO 66 N -1.31 2.66 0.15 0.00 0.02 -1.26 -3.89 135.00 131.37 1vyn s PRO 66 Ca -0.14 1.80 0.15 0.00 0.02 0.00 0.00 61.00 62.83 1vyn s PRO 66 Cb -0.09 -1.89 0.69 0.00 0.02 0.00 0.00 34.50 33.22 1vyn s PRO 66 CO -0.01 -1.44 1.45 0.00 -0.33 0.00 0.00 177.00 176.67 1vyn n ALA 67 N -2.03 1.30 0.23 -1.55 0.00 0.93 -0.23 120.51 119.17 1vyn n ALA 67 Ca 0.14 0.07 0.13 0.00 0.00 0.00 0.00 53.44 53.77 1vyn n ALA 67 Cb 0.50 -1.23 0.32 0.00 0.00 0.00 0.00 19.45 19.04 1vyn n ALA 67 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1vyn h SER 68 N 0.00 0.00 0.00 0.00 0.87 -1.53 -2.72 113.55 110.16 1vyn h SER 68 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 1vyn h SER 68 Cb 0.14 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.10 1vyn h SER 68 CO 0.00 0.04 -0.71 -0.24 -0.53 0.00 0.00 176.83 175.38 1vyn n SER 69 N -3.12 2.21 -4.61 6.23 2.88 0.68 -4.90 113.62 112.99 1vyn n SER 69 Ca 0.03 -0.28 -0.43 0.00 -1.33 0.00 0.00 58.87 56.85 1vyn n SER 69 Cb 0.47 1.10 -0.02 0.00 -0.75 0.00 0.00 64.21 65.01 1vyn n SER 69 CO 0.00 0.00 0.00 -1.61 -1.23 0.00 0.00 175.04 172.20 1vyn s GLU 70 N -1.86 3.85 0.17 -1.46 0.41 -0.18 -4.99 118.70 114.64 1vyn s GLU 70 Ca -0.00 0.75 -0.00 0.00 -0.41 0.00 0.00 54.97 55.31 1vyn s GLU 70 Cb 0.03 -3.84 -0.04 0.00 -1.78 0.00 0.00 34.13 28.49 1vyn s GLU 70 CO 0.17 -1.20 0.34 0.95 -0.49 0.00 0.00 175.26 175.03 1vyn s THR 71 N 4.15 5.26 0.01 3.63 -4.23 -1.26 -2.47 115.64 120.73 1vyn s THR 71 Ca 0.47 -0.43 -0.07 0.00 -1.18 0.00 0.00 61.69 60.48 1vyn s THR 71 Cb -0.09 -3.72 -0.00 0.00 1.34 0.00 0.00 72.50 70.03 1vyn s THR 71 CO 0.26 -0.10 0.13 0.72 -0.54 0.00 0.00 174.62 175.09 1vyn s PHE 72 N -1.78 0.06 -0.34 3.99 -0.71 -0.50 -4.92 117.98 113.78 1vyn s PHE 72 Ca 0.37 -0.18 -0.26 0.00 -1.04 0.00 0.00 56.93 55.83 1vyn s PHE 72 Cb -0.11 -0.06 0.01 0.00 -1.21 0.00 0.00 43.02 41.65 1vyn s PHE 72 CO 0.28 -0.29 0.91 -2.00 -1.34 0.00 0.00 175.22 172.78 1vyn s GLU 73 N -1.48 3.92 -0.37 1.99 2.12 -1.26 -2.49 118.70 121.13 1vyn s GLU 73 Ca -0.14 0.67 0.02 0.00 0.36 0.00 0.00 54.97 55.87 1vyn s GLU 73 Cb -0.07 -3.77 0.11 0.00 0.26 0.00 0.00 34.13 30.66 1vyn s GLU 73 CO 0.01 -0.85 0.14 -1.58 -0.54 0.00 0.00 175.26 172.43 1vyn s HIS 74 N 3.34 2.42 -0.67 5.30 2.46 0.14 -4.78 115.29 123.49 1vyn s HIS 74 Ca 0.38 -2.36 -0.04 0.00 0.47 0.00 0.00 55.06 53.51 1vyn s HIS 74 Cb -0.13 -2.16 0.00 0.00 -0.13 0.00 0.00 32.58 30.17 1vyn s HIS 74 CO 0.16 -0.86 0.59 -0.25 -2.47 0.00 0.00 174.74 171.91 1vyn n ASP 75 N 4.21 -4.04 0.00 9.88 9.92 -1.26 -2.95 116.55 132.30 1vyn n ASP 75 Ca 0.03 -0.27 0.00 0.00 -0.53 0.00 0.00 54.79 54.02 1vyn n ASP 75 Cb 0.39 -2.77 0.00 0.00 -0.64 0.00 0.00 41.12 38.10 1vyn n ASP 75 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1vyn n GLY 76 N -1.24 0.59 3.15 0.44 0.00 -1.26 -5.01 105.19 101.85 1vyn n GLY 76 Ca -0.01 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.75 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 -0.00 1.80 -0.21 1.61 -0.14 -1.15 -5.10 119.74 116.55 1vyn s LYS 77 Ca 0.00 -0.64 -0.09 0.00 -1.36 0.00 0.00 55.97 53.88 1vyn s LYS 77 Cb 0.00 -1.58 -0.04 0.00 -1.68 0.00 0.00 37.83 34.52 1vyn s LYS 77 CO 0.00 0.28 0.10 0.15 -0.76 0.00 0.00 175.35 175.12 1vyn s LYS 78 N -0.06 4.00 0.32 1.68 1.02 -1.25 0.26 119.74 125.70 1vyn s LYS 78 Ca -0.02 -0.32 0.03 0.00 0.02 0.00 0.00 55.97 55.68 1vyn s LYS 78 Cb -0.11 -3.35 -0.05 0.00 -0.52 0.00 0.00 37.83 33.80 1vyn s LYS 78 CO 0.02 0.17 0.08 0.14 -0.92 0.00 0.00 175.35 174.84 1vyn s VAL 79 N 0.70 0.88 -0.07 3.17 -7.23 -1.04 -4.87 120.40 111.94 1vyn s VAL 79 Ca 0.05 -2.00 -0.03 0.00 -1.81 0.00 0.00 61.98 58.19 1vyn s VAL 79 Cb -0.13 -2.67 -0.04 0.00 0.56 0.00 0.00 36.38 34.10 1vyn s VAL 79 CO 0.02 0.00 0.07 -0.89 -0.31 0.00 0.00 175.10 173.99 1vyn s THR 80 N -3.43 4.83 0.43 5.32 2.01 -1.26 -1.41 115.64 122.12 1vyn s THR 80 Ca 0.35 -0.15 0.11 0.00 0.31 0.00 0.00 61.69 62.31 1vyn s THR 80 Cb 0.07 -3.11 0.22 0.00 0.01 0.00 0.00 72.50 69.69 1vyn s THR 80 CO 0.15 0.53 2.02 0.40 -0.69 0.00 0.00 174.62 177.03 1vyn h ILE 81 N 3.81 1.11 -0.02 1.82 2.04 -1.49 0.19 117.51 124.97 1vyn h ILE 81 Ca -0.52 -0.42 -0.00 0.00 1.00 0.00 0.00 64.86 64.93 1vyn h ILE 81 Cb 1.20 0.97 -0.00 0.00 -0.74 0.00 0.00 36.82 38.25 1vyn h ILE 81 CO 0.58 0.14 0.01 0.00 0.00 0.00 0.00 178.15 178.88 1vyn h ALA 82 N 1.77 0.02 -0.05 1.87 0.00 -1.79 -1.04 119.26 120.04 1vyn h ALA 82 Ca 0.06 -0.04 -0.15 0.00 0.00 0.00 0.00 54.91 54.78 1vyn h ALA 82 Cb 0.16 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 1vyn h ALA 82 CO 0.00 -0.44 -0.65 0.77 0.00 0.00 0.00 179.25 178.92 1vyn h SER 83 N -0.05 0.24 -0.23 0.00 0.02 -1.73 -2.54 113.55 109.26 1vyn h SER 83 Ca 0.01 -0.15 0.00 0.00 -0.84 0.00 0.00 61.79 60.81 1vyn h SER 83 Cb 0.07 -0.07 -0.01 0.00 0.14 0.00 0.00 62.40 62.53 1vyn h SER 83 CO -0.00 0.83 0.15 0.22 -1.14 0.00 0.00 176.83 176.89 1vyn h TYR 84 N 0.15 0.29 -0.05 3.45 3.20 -0.41 -0.23 116.97 123.36 1vyn h TYR 84 Ca -0.01 0.01 -0.22 0.00 3.14 0.00 0.00 58.73 61.65 1vyn h TYR 84 Cb 1.18 -0.10 0.00 0.00 1.54 0.00 0.00 36.73 39.36 1vyn h TYR 84 CO 0.02 0.18 -0.85 0.74 -1.64 0.00 0.00 178.16 176.61 1vyn h PHE 85 N 0.31 0.72 -0.79 -3.82 0.04 -1.24 -2.84 116.94 109.32 1vyn h PHE 85 Ca 0.08 -0.35 -0.03 0.00 2.80 0.00 0.00 57.97 60.47 1vyn h PHE 85 Cb -0.04 -0.10 -0.04 0.00 2.20 0.00 0.00 35.95 37.98 1vyn h PHE 85 CO -0.06 1.16 0.38 1.25 -0.60 0.00 0.00 178.31 180.44 1vyn h HIS 86 N 0.32 1.14 0.00 -0.55 2.76 -1.12 0.54 115.15 118.24 1vyn h HIS 86 Ca -0.06 -0.05 -0.06 0.00 -2.20 0.00 0.00 60.37 57.99 1vyn h HIS 86 Cb 1.47 -0.35 -0.01 0.00 1.55 0.00 0.00 27.41 30.07 1vyn h HIS 86 CO 0.06 0.83 -0.27 1.03 -1.30 0.00 0.00 177.93 178.28 1vyn h SER 87 N 1.12 0.00 -0.08 3.26 0.87 -1.13 -2.89 113.55 114.71 1vyn h SER 87 Ca 0.27 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.83 1vyn h SER 87 Cb 0.12 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.08 1vyn h SER 87 CO -0.03 0.27 0.00 -1.14 -0.53 0.00 0.00 176.83 175.40 1vyn n ARG 88 N -3.25 1.31 -1.91 2.24 3.00 -0.44 -4.84 116.66 112.77 1vyn n ARG 88 Ca 0.02 -0.33 -0.10 0.00 -0.00 0.00 0.00 57.85 57.44 1vyn n ARG 88 Cb 0.56 -1.30 -0.02 0.00 0.00 0.00 0.00 32.46 31.70 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 -0.11 -3.62 -3.72 6.15 3.02 -1.05 -4.61 115.26 111.32 1vyn n ASN 89 Ca 0.03 0.07 -0.29 0.00 -0.03 0.00 0.00 54.58 54.36 1vyn n ASN 89 Cb 0.20 -2.61 -0.13 0.00 -0.61 0.00 0.00 39.78 36.63 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 -2.46 2.13 -0.07 3.10 5.04 0.05 -5.02 117.35 120.13 1vyn s TYR 90 Ca 0.00 -2.55 -0.29 0.00 -2.44 0.00 0.00 57.07 51.79 1vyn s TYR 90 Cb 0.00 -1.94 -0.06 0.00 0.35 0.00 0.00 41.96 40.30 1vyn s TYR 90 CO 0.00 -0.76 1.85 -1.25 -1.34 0.00 0.00 175.55 174.05 1vyn s PRO 91 N 0.12 3.96 0.21 4.97 0.04 -1.26 -3.21 135.00 139.84 1vyn s PRO 91 Ca 0.19 2.26 -0.30 0.00 0.04 0.00 0.00 61.00 63.19 1vyn s PRO 91 Cb -0.20 -4.12 -0.08 0.00 0.04 0.00 0.00 34.50 30.14 1vyn s PRO 91 CO -0.03 -1.13 1.12 -0.51 0.04 0.00 0.00 177.00 176.50 1vyn s LEU 92 N 4.96 4.50 0.18 -3.56 1.43 -1.26 -4.92 118.68 120.01 1vyn s LEU 92 Ca 0.83 2.18 0.23 0.00 -1.03 0.00 0.00 54.13 56.33 1vyn s LEU 92 Cb -0.36 -3.61 0.06 0.00 0.03 0.00 0.00 46.19 42.31 1vyn s LEU 92 CO 0.35 -0.24 1.09 0.29 0.23 0.00 0.00 176.35 178.07 1vyn n LYS 93 N 2.07 0.53 -2.74 1.70 5.02 -1.26 -4.30 118.16 119.18 1vyn n LYS 93 Ca 0.02 0.11 -0.22 0.00 -2.02 0.00 0.00 58.31 56.20 1vyn n LYS 93 Cb 0.45 -1.79 -0.01 0.00 -0.02 0.00 0.00 35.03 33.67 1vyn n LYS 93 CO 0.00 0.00 0.00 1.19 -0.52 0.00 0.00 177.40 178.07 1vyn n PHE 94 N -2.54 2.57 0.13 2.13 3.01 -1.26 -3.91 117.46 117.59 1vyn n PHE 94 Ca 0.01 -3.37 -0.01 0.00 1.01 0.00 0.00 57.45 55.08 1vyn n PHE 94 Cb 0.52 -0.30 0.16 0.00 -0.01 0.00 0.00 39.48 39.86 1vyn n PHE 94 CO 0.00 0.00 0.00 -1.35 1.01 0.00 0.00 176.76 176.42 1vyn h PRO 95 N 2.84 0.00 -0.76 -1.08 0.11 -1.98 -3.19 132.00 127.93 1vyn h PRO 95 Ca 0.14 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.25 1vyn h PRO 95 Cb 0.88 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.99 1vyn h PRO 95 CO 0.71 0.63 0.00 1.04 -0.21 0.00 0.00 178.00 180.16 1vyn n GLN 96 N -3.77 3.25 -4.50 1.05 1.13 -1.26 -1.69 117.38 111.59 1vyn n GLN 96 Ca -0.01 -1.81 -0.23 0.00 -1.94 0.00 0.00 57.00 53.01 1vyn n GLN 96 Cb 0.63 -1.94 -0.11 0.00 0.11 0.00 0.00 30.24 28.93 1vyn n GLN 96 CO 0.00 0.00 0.00 -0.51 -1.44 0.00 0.00 177.06 175.11 1vyn s LEU 97 N -1.58 2.49 0.60 1.08 1.43 -1.21 -4.83 118.68 116.65 1vyn s LEU 97 Ca 0.31 -1.32 -0.19 0.00 -1.03 0.00 0.00 54.13 51.91 1vyn s LEU 97 Cb 0.24 -0.63 -0.03 0.00 0.03 0.00 0.00 46.19 45.80 1vyn s LEU 97 CO 0.09 -0.47 1.23 -1.00 0.23 0.00 0.00 176.35 176.43 1vyn s HIS 98 N -3.02 2.32 0.06 0.29 3.76 -1.26 -0.05 115.29 117.39 1vyn s HIS 98 Ca 0.34 1.50 0.01 0.00 -0.15 0.00 0.00 55.06 56.76 1vyn s HIS 98 Cb 0.07 -3.54 -0.04 0.00 1.11 0.00 0.00 32.58 30.18 1vyn s HIS 98 CO 0.15 -2.39 0.16 0.00 -0.85 0.00 0.00 174.74 171.81 1vyn s LEU 100 N -2.39 4.47 -0.38 0.00 2.96 0.12 -0.57 118.68 122.89 1vyn s LEU 100 Ca 0.32 2.27 -0.05 0.00 -0.22 0.00 0.00 54.13 56.44 1vyn s LEU 100 Cb -0.13 -3.61 0.08 0.00 0.50 0.00 0.00 46.19 43.03 1vyn s LEU 100 CO 0.25 -0.34 0.17 0.21 -1.32 0.00 0.00 176.35 175.32 1vyn s ASN 101 N -0.10 5.33 0.34 3.68 3.84 0.02 -0.85 114.94 127.20 1vyn s ASN 101 Ca 0.51 -1.56 0.10 0.00 0.21 0.00 0.00 52.86 52.11 1vyn s ASN 101 Cb -0.33 -1.87 -0.06 0.00 -0.55 0.00 0.00 41.25 38.44 1vyn s ASN 101 CO 0.38 -0.46 -0.09 0.68 -2.79 0.00 0.00 177.10 174.83 1vyn s VAL 102 N 1.30 2.33 0.00 -5.21 -7.23 -0.25 -2.09 120.40 109.25 1vyn s VAL 102 Ca 0.02 -2.18 0.00 0.00 -1.81 0.00 0.00 61.98 58.01 1vyn s VAL 102 Cb -0.22 -2.64 0.00 0.00 0.56 0.00 0.00 36.38 34.08 1vyn s VAL 102 CO -0.00 -0.22 0.00 0.61 -0.31 0.00 0.00 175.10 175.18 1vyn n GLY 103 N -0.81 0.98 3.43 2.32 0.00 -0.94 -0.26 105.19 109.92 1vyn n GLY 103 Ca -0.05 -0.88 -0.13 0.00 0.00 0.00 0.00 46.02 44.96 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 0.58 0.14 1.61 1.04 -0.77 -4.88 113.70 107.42 1vyn s SER 104 Ca 0.00 -1.36 -0.01 0.00 0.48 0.00 0.00 55.95 55.07 1vyn s SER 104 Cb 0.00 0.57 -0.06 0.00 0.10 0.00 0.00 66.02 66.63 1vyn s SER 104 CO 0.00 -1.13 1.33 -1.28 0.98 0.00 0.00 173.24 173.14 1vyn h SER 105 N 2.26 0.37 0.08 7.02 0.87 -2.00 -3.00 113.55 119.15 1vyn h SER 105 Ca -0.29 -0.31 -0.17 0.00 -1.23 0.00 0.00 61.79 59.80 1vyn h SER 105 Cb 1.24 -0.11 -0.01 0.00 -0.44 0.00 0.00 62.40 63.08 1vyn h SER 105 CO 0.41 1.11 -0.59 0.16 -0.53 0.00 0.00 176.83 177.39 1vyn h ILE 106 N 0.15 1.33 -3.08 2.23 3.07 -2.00 -3.39 117.51 115.82 1vyn h ILE 106 Ca -0.06 -1.87 -0.52 0.00 1.55 0.00 0.00 64.86 63.96 1vyn h ILE 106 Cb 1.57 1.85 -0.40 0.00 -0.27 0.00 0.00 36.82 39.56 1vyn h ILE 106 CO 0.15 0.58 -0.76 -0.75 -1.05 0.00 0.00 178.15 176.31 1vyn s LYS 107 N -3.91 0.40 -0.31 0.16 2.36 -1.24 -5.11 119.74 112.08 1vyn s LYS 107 Ca -0.07 -0.46 -0.16 0.00 -2.55 0.00 0.00 55.97 52.74 1vyn s LYS 107 Cb 0.11 -1.80 -0.02 0.00 -1.05 0.00 0.00 37.83 35.07 1vyn s LYS 107 CO 0.84 -0.79 0.39 -1.12 1.55 0.00 0.00 175.35 176.22 1vyn s SER 108 N 1.95 6.23 -0.38 1.43 0.01 -1.13 -1.84 113.70 119.97 1vyn s SER 108 Ca 0.04 0.02 -0.27 0.00 1.31 0.00 0.00 55.95 57.05 1vyn s SER 108 Cb -0.17 -2.21 0.02 0.00 0.21 0.00 0.00 66.02 63.87 1vyn s SER 108 CO -0.18 -0.30 1.01 -0.63 0.41 0.00 0.00 173.24 173.56 1vyn s ILE 109 N 2.10 4.48 -0.29 1.44 1.01 0.64 -4.90 121.20 125.68 1vyn s ILE 109 Ca 0.14 1.34 -0.08 0.00 0.00 0.00 0.00 60.65 62.05 1vyn s ILE 109 Cb -0.16 -4.42 -0.01 0.00 0.01 0.00 0.00 42.46 37.88 1vyn s ILE 109 CO 0.11 -0.63 0.11 -0.76 0.00 0.00 0.00 174.94 173.77 1vyn s LEU 110 N 3.74 3.85 -0.08 2.97 1.43 -1.25 -1.09 118.68 128.26 1vyn s LEU 110 Ca 0.42 -0.48 -0.03 0.00 -1.03 0.00 0.00 54.13 53.01 1vyn s LEU 110 Cb -0.11 -1.95 0.04 0.00 0.03 0.00 0.00 46.19 44.21 1vyn s LEU 110 CO 0.21 -0.15 0.15 -1.48 0.23 0.00 0.00 176.35 175.31 1vyn s LEU 111 N 1.58 0.20 0.24 1.79 2.34 -0.03 -4.89 118.68 119.91 1vyn s LEU 111 Ca 0.05 0.32 -0.30 0.00 0.06 0.00 0.00 54.13 54.25 1vyn s LEU 111 Cb -0.17 0.29 -0.14 0.00 -0.56 0.00 0.00 46.19 45.61 1vyn s LEU 111 CO 0.05 -0.21 1.17 -2.65 -1.06 0.00 0.00 176.35 173.64 1vyn n PRO 112 N 4.95 1.47 0.00 1.48 -0.02 -1.26 0.12 135.00 141.74 1vyn n PRO 112 Ca -0.12 0.52 0.02 0.00 -2.02 0.00 0.00 63.50 61.90 1vyn n PRO 112 Cb 0.50 -2.01 0.09 0.00 -0.02 0.00 0.00 33.50 32.07 1vyn n PRO 112 CO 0.00 0.00 0.00 1.51 1.98 0.00 0.00 175.50 178.99 1vyn n ILE 113 N 1.05 1.65 -0.05 4.25 0.13 -1.26 -1.78 119.36 123.35 1vyn n ILE 113 Ca 0.12 0.41 0.11 0.00 -1.10 0.00 0.00 62.75 62.29 1vyn n ILE 113 Cb 0.29 -1.34 0.51 0.00 -0.84 0.00 0.00 39.64 38.26 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 0.37 -0.67 9.51 4.81 -1.93 -1.90 114.58 124.77 1vyn h GLU 114 Ca 0.00 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.21 1vyn h GLU 114 Cb 0.07 -0.08 0.00 0.00 0.63 0.00 0.00 28.75 29.37 1vyn h GLU 114 CO 0.00 0.25 0.00 1.28 -0.73 0.00 0.00 179.01 179.81 1vyn n LEU 115 N -4.47 4.66 -4.65 1.64 4.32 -0.73 -4.80 117.00 112.97 1vyn n LEU 115 Ca 0.08 -2.37 -0.33 0.00 -0.02 0.00 0.00 56.01 53.37 1vyn n LEU 115 Cb 0.33 -0.57 -0.10 0.00 -1.62 0.00 0.00 43.42 41.46 1vyn n LEU 115 CO 0.34 0.85 -0.34 0.00 -1.22 0.00 0.00 177.39 177.02 1vyn s SER 117 N -1.35 2.32 -0.15 0.00 1.04 0.82 -0.87 113.70 115.51 1vyn s SER 117 Ca 0.17 -0.43 -0.13 0.00 0.48 0.00 0.00 55.95 56.05 1vyn s SER 117 Cb -0.11 -0.22 -0.05 0.00 0.10 0.00 0.00 66.02 65.74 1vyn s SER 117 CO 0.08 0.19 0.27 -0.51 0.98 0.00 0.00 173.24 174.25 1vyn s ILE 118 N -0.62 5.31 -0.27 -1.02 2.07 0.13 0.16 121.20 126.96 1vyn s ILE 118 Ca 0.07 0.51 -0.29 0.00 -1.41 0.00 0.00 60.65 59.53 1vyn s ILE 118 Cb -0.08 -3.60 -0.00 0.00 0.13 0.00 0.00 42.46 38.90 1vyn s ILE 118 CO 0.00 0.43 1.34 -0.70 -1.91 0.00 0.00 174.94 174.10 1vyn s GLU 119 N 0.21 3.95 0.00 3.50 -6.30 -1.26 -1.77 118.70 117.02 1vyn s GLU 119 Ca 0.16 1.37 0.03 0.00 -2.50 0.00 0.00 54.97 54.02 1vyn s GLU 119 Cb -0.13 -3.88 0.16 0.00 0.00 0.00 0.00 34.13 30.27 1vyn s GLU 119 CO 0.04 -1.08 0.64 -0.85 0.02 0.00 0.00 175.26 174.03