#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 3.99 -0.21 0.00 -2.45 0.11 -4.86 119.30 115.88 1vyn s MET 5 Ca 0.00 -0.18 -0.36 0.00 -1.25 0.00 0.00 55.69 53.90 1vyn s MET 5 Cb 0.00 -3.64 -0.12 0.00 1.25 0.00 0.00 34.83 32.32 1vyn s MET 5 CO 0.00 -0.18 1.94 -2.30 1.05 0.00 0.00 175.02 175.53 1vyn n PRO 6 N 5.04 1.61 0.12 4.11 -0.02 -1.26 0.35 135.00 144.95 1vyn n PRO 6 Ca -0.12 0.56 0.03 0.00 -2.02 0.00 0.00 63.50 61.94 1vyn n PRO 6 Cb 0.52 -2.47 0.40 0.00 -0.02 0.00 0.00 33.50 31.92 1vyn n PRO 6 CO 0.00 0.00 0.00 0.52 1.98 0.00 0.00 175.50 178.00 1vyn h MET 7 N 9.69 0.24 -0.55 -0.52 2.86 -1.68 0.18 114.93 125.15 1vyn h MET 7 Ca -0.42 -0.05 -0.09 0.00 -2.06 0.00 0.00 59.70 57.07 1vyn h MET 7 Cb 1.30 -0.04 -0.02 0.00 0.06 0.00 0.00 31.60 32.90 1vyn h MET 7 CO 0.97 0.36 -0.02 0.82 1.06 0.00 0.00 176.91 180.10 1vyn h ILE 8 N 0.23 1.26 -0.46 -1.22 1.08 -1.79 0.91 117.51 117.52 1vyn h ILE 8 Ca 0.05 -1.13 -0.13 0.00 -0.39 0.00 0.00 64.86 63.26 1vyn h ILE 8 Cb 0.34 0.85 -0.01 0.00 -3.07 0.00 0.00 36.82 34.93 1vyn h ILE 8 CO 0.02 0.40 -0.23 -0.08 -0.69 0.00 0.00 178.15 177.57 1vyn h GLU 9 N 0.88 0.94 -0.76 2.37 4.81 -1.51 0.66 114.58 121.98 1vyn h GLU 9 Ca 0.16 -0.40 0.07 0.00 -0.13 0.00 0.00 59.36 59.05 1vyn h GLU 9 Cb 0.54 -0.03 -0.06 0.00 0.63 0.00 0.00 28.75 29.83 1vyn h GLU 9 CO 0.03 1.07 0.43 -0.92 -0.73 0.00 0.00 179.01 178.89 1vyn h TYR 10 N 0.81 0.80 -0.08 0.92 3.20 -0.32 0.30 116.97 122.60 1vyn h TYR 10 Ca 0.10 0.03 -0.01 0.00 3.14 0.00 0.00 58.73 61.99 1vyn h TYR 10 Cb 0.80 -0.25 -0.00 0.00 1.54 0.00 0.00 36.73 38.82 1vyn h TYR 10 CO 0.05 0.37 0.00 -0.07 -1.64 0.00 0.00 178.16 176.87 1vyn h LEU 11 N 0.78 0.13 -0.17 2.82 3.38 -0.43 -1.49 115.31 120.33 1vyn h LEU 11 Ca 0.34 -0.30 -0.01 0.00 0.09 0.00 0.00 57.88 58.01 1vyn h LEU 11 Cb 0.23 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 40.94 1vyn h LEU 11 CO -0.20 0.41 0.09 -0.08 0.09 0.00 0.00 178.44 178.74 1vyn h GLU 12 N -0.14 0.24 -0.03 1.13 4.81 -0.41 0.66 114.58 120.85 1vyn h GLU 12 Ca 0.02 -0.03 -0.02 0.00 -0.13 0.00 0.00 59.36 59.20 1vyn h GLU 12 Cb 0.34 -0.05 0.00 0.00 0.63 0.00 0.00 28.75 29.67 1vyn h GLU 12 CO 0.00 0.27 -0.05 0.00 -0.73 0.00 0.00 179.01 178.49 1vyn h ARG 13 N 0.16 0.09 0.00 1.92 3.08 -0.46 -1.42 114.38 117.75 1vyn h ARG 13 Ca 0.06 -0.06 -0.38 0.00 0.07 0.00 0.00 59.98 59.68 1vyn h ARG 13 Cb 0.10 0.01 -0.06 0.00 0.08 0.00 0.00 29.97 30.10 1vyn h ARG 13 CO -0.01 0.63 -2.24 1.19 -1.07 0.00 0.00 179.97 178.47 1vyn n PHE 14 N -4.74 0.00 0.10 3.04 3.72 -0.57 -4.07 117.46 114.94 1vyn n PHE 14 Ca -0.08 0.00 -0.23 0.00 -0.05 0.00 0.00 57.45 57.09 1vyn n PHE 14 Cb 0.32 -0.83 -0.14 0.00 -0.94 0.00 0.00 39.48 37.89 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 -0.86 0.84 0.13 4.37 0.87 -1.27 -3.35 113.55 114.28 1vyn h SER 15 Ca -0.57 -0.85 -0.36 0.00 -1.23 0.00 0.00 61.79 58.78 1vyn h SER 15 Cb 1.49 -0.27 -0.03 0.00 -0.44 0.00 0.00 62.40 63.16 1vyn h SER 15 CO -0.35 1.61 -2.05 0.18 -0.53 0.00 0.00 176.83 175.70 1vyn n LEU 16 N -3.82 2.53 -1.66 2.23 7.99 0.22 -4.96 117.00 119.55 1vyn n LEU 16 Ca -0.14 0.17 -0.19 0.00 -0.01 0.00 0.00 56.01 55.84 1vyn n LEU 16 Cb 0.99 -0.98 -0.07 0.00 -0.11 0.00 0.00 43.42 43.25 1vyn n LEU 16 CO 0.58 0.83 -0.20 0.29 -1.51 0.00 0.00 177.39 177.38 1vyn n LYS 17 N -3.41 -1.40 -3.74 3.23 4.76 -0.56 -4.95 118.16 112.09 1vyn n LYS 17 Ca -0.33 1.13 -0.11 0.00 -2.87 0.00 0.00 58.31 56.13 1vyn n LYS 17 Cb 1.04 -5.52 -0.07 0.00 -1.84 0.00 0.00 35.03 28.65 1vyn n LYS 17 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1vyn s ALA 18 N -2.78 -0.69 0.07 7.82 0.00 -1.06 -5.02 121.76 120.10 1vyn s ALA 18 Ca 0.00 -0.07 -0.31 0.00 0.00 0.00 0.00 51.96 51.58 1vyn s ALA 18 Cb 0.00 0.42 -0.07 0.00 0.00 0.00 0.00 23.12 23.47 1vyn s ALA 18 CO 0.00 -0.47 1.37 0.21 0.00 0.00 0.00 175.76 176.86 1vyn s LYS 19 N -2.98 4.33 -0.16 0.00 2.20 -1.26 -4.55 119.74 117.31 1vyn s LYS 19 Ca -0.02 2.00 -0.29 0.00 -0.36 0.00 0.00 55.97 57.30 1vyn s LYS 19 Cb 0.01 -3.36 -0.02 0.00 -1.51 0.00 0.00 37.83 32.95 1vyn s LYS 19 CO -0.06 -0.45 1.37 0.42 -0.36 0.00 0.00 175.35 176.27 1vyn s ILE 20 N 1.47 4.09 0.31 5.43 -1.09 -1.26 -4.88 121.20 125.27 1vyn s ILE 20 Ca 0.64 1.30 0.03 0.00 -2.23 0.00 0.00 60.65 60.39 1vyn s ILE 20 Cb -0.34 -3.89 -0.02 0.00 -1.58 0.00 0.00 42.46 36.63 1vyn s ILE 20 CO 0.29 -0.16 0.32 0.20 -1.23 0.00 0.00 174.94 174.35 1vyn s ASN 21 N 2.48 1.22 0.00 3.58 -0.87 -1.26 -5.01 114.94 115.07 1vyn s ASN 21 Ca 0.60 -1.61 0.25 0.00 -1.57 0.00 0.00 52.86 50.52 1vyn s ASN 21 Cb -0.24 0.56 1.24 0.00 -0.02 0.00 0.00 41.25 42.80 1vyn s ASN 21 CO 0.19 -1.10 1.83 -0.46 -2.57 0.00 0.00 177.10 174.99 1vyn n ASN 22 N -1.31 0.00 0.20 -1.22 6.94 -1.26 -2.48 115.26 116.12 1vyn n ASN 22 Ca 0.05 -0.03 0.12 0.00 -0.02 0.00 0.00 54.58 54.70 1vyn n ASN 22 Cb 0.63 -0.30 0.15 0.00 -2.36 0.00 0.00 39.78 37.90 1vyn n ASN 22 CO 0.00 0.00 0.00 0.71 -1.03 0.00 0.00 177.26 176.94 1vyn h THR 23 N 0.00 0.00 -0.00 5.53 1.35 -1.96 -2.89 112.91 114.94 1vyn h THR 23 Ca 0.00 -0.98 0.00 0.00 -0.55 0.00 0.00 66.41 64.88 1vyn h THR 23 Cb 0.25 1.90 0.00 0.00 -1.73 0.00 0.00 68.15 68.57 1vyn h THR 23 CO 0.00 0.00 -0.05 0.35 -0.25 0.00 0.00 175.52 175.57 1vyn n THR 24 N -3.00 0.00 -2.44 6.82 -2.24 -1.04 -4.97 114.28 107.42 1vyn n THR 24 Ca 0.03 -0.07 -0.05 0.00 -2.27 0.00 0.00 64.05 61.69 1vyn n THR 24 Cb 0.53 -0.13 0.01 0.00 -2.10 0.00 0.00 70.33 68.63 1vyn n THR 24 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 1vyn n ASN 25 N -0.77 -6.22 0.27 3.42 3.02 -1.09 -4.70 115.26 109.18 1vyn n ASN 25 Ca 0.18 0.49 0.18 0.00 -0.03 0.00 0.00 54.58 55.41 1vyn n ASN 25 Cb 0.24 -4.11 0.87 0.00 -0.61 0.00 0.00 39.78 36.17 1vyn n ASN 25 CO 0.00 0.00 0.00 -0.07 -2.62 0.00 0.00 177.26 174.57 1vyn h LEU 26 N 1.54 0.00 -0.01 3.41 -0.00 -1.78 -1.16 115.31 117.31 1vyn h LEU 26 Ca 0.00 0.00 0.02 0.00 -0.00 0.00 0.00 57.88 57.90 1vyn h LEU 26 Cb 0.58 0.00 -0.03 0.00 -0.00 0.00 0.00 40.66 41.21 1vyn h LEU 26 CO 0.13 0.00 -0.13 -0.78 -0.00 0.00 0.00 178.44 177.66 1vyn h ASP 27 N 0.00 -0.38 0.16 -0.43 1.82 -1.91 0.21 116.42 115.89 1vyn h ASP 27 Ca 0.00 0.06 -0.21 0.00 -0.39 0.00 0.00 57.03 56.48 1vyn h ASP 27 Cb 0.21 0.16 0.00 0.00 0.68 0.00 0.00 39.33 40.39 1vyn h ASP 27 CO 0.00 -0.18 -0.84 1.88 -1.61 0.00 0.00 179.24 178.49 1vyn h TYR 28 N -0.22 0.74 -0.83 0.28 -1.99 -1.59 -1.25 116.97 112.11 1vyn h TYR 28 Ca 0.05 -0.36 -0.03 0.00 2.00 0.00 0.00 58.73 60.40 1vyn h TYR 28 Cb 0.28 -0.10 -0.04 0.00 2.00 0.00 0.00 36.73 38.87 1vyn h TYR 28 CO -0.19 1.16 0.41 0.77 -0.00 0.00 0.00 178.16 180.31 1vyn h SER 29 N 0.34 1.07 -0.08 3.88 0.02 -1.08 -0.64 113.55 117.06 1vyn h SER 29 Ca -0.06 -0.13 -0.20 0.00 -0.84 0.00 0.00 61.79 60.56 1vyn h SER 29 Cb 1.45 -0.27 0.01 0.00 0.14 0.00 0.00 62.40 63.73 1vyn h SER 29 CO 0.15 0.90 -0.74 0.03 -1.14 0.00 0.00 176.83 176.03 1vyn h ARG 30 N 1.17 0.64 -0.96 3.45 2.47 -0.58 -2.58 114.38 118.00 1vyn h ARG 30 Ca 0.29 -0.58 0.06 0.00 -1.26 0.00 0.00 59.98 58.48 1vyn h ARG 30 Cb 0.09 0.14 -0.06 0.00 -1.65 0.00 0.00 29.97 28.49 1vyn h ARG 30 CO -0.04 1.20 0.62 -0.09 0.56 0.00 0.00 179.97 182.21 1vyn h ARG 31 N 0.29 1.10 0.00 0.04 2.43 -0.87 0.17 114.38 117.55 1vyn h ARG 31 Ca -0.07 -0.07 0.00 0.00 -0.81 0.00 0.00 59.98 59.03 1vyn h ARG 31 Cb 1.39 -0.25 0.00 0.00 -0.42 0.00 0.00 29.97 30.70 1vyn h ARG 31 CO 0.15 0.73 -0.19 1.97 -1.51 0.00 0.00 179.97 181.12 1vyn n PHE 32 N -4.53 0.73 0.97 2.20 -1.74 -0.28 -3.45 117.46 111.37 1vyn n PHE 32 Ca 0.14 0.21 0.13 0.00 -0.56 0.00 0.00 57.45 57.37 1vyn n PHE 32 Cb 0.17 -0.81 0.37 0.00 1.52 0.00 0.00 39.48 40.73 1vyn n PHE 32 CO 0.00 0.00 0.00 -0.11 -0.56 0.00 0.00 176.76 176.09 1vyn n LEU 33 N -2.14 0.35 0.07 5.98 7.94 0.53 -4.25 117.00 125.47 1vyn n LEU 33 Ca 0.05 0.19 -0.12 0.00 -1.11 0.00 0.00 56.01 55.02 1vyn n LEU 33 Cb 0.42 -0.33 -0.06 0.00 0.53 0.00 0.00 43.42 43.98 1vyn n LEU 33 CO 0.32 0.07 0.82 -0.08 -1.11 0.00 0.00 177.39 177.40 1vyn h GLU 34 N 0.00 -0.15 -0.25 1.96 4.81 -1.35 -1.07 114.58 118.53 1vyn h GLU 34 Ca 0.00 0.01 0.07 0.00 -0.13 0.00 0.00 59.36 59.31 1vyn h GLU 34 Cb 0.52 0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.92 1vyn h GLU 34 CO 0.00 -0.10 0.20 -1.00 -0.73 0.00 0.00 179.01 177.38 1vyn h PRO 35 N -0.15 0.00 -0.17 0.92 0.13 -1.84 -0.32 132.00 130.56 1vyn h PRO 35 Ca 0.02 0.00 -0.20 0.00 -0.87 0.00 0.00 66.00 64.95 1vyn h PRO 35 Cb 0.17 0.00 0.01 0.00 0.13 0.00 0.00 31.00 31.31 1vyn h PRO 35 CO -0.05 0.00 -0.68 0.74 -0.23 0.00 0.00 178.00 177.78 1vyn h PHE 36 N 0.00 1.00 0.00 1.56 -1.00 -1.55 -3.31 116.94 113.65 1vyn h PHE 36 Ca 0.12 -0.43 -0.14 0.00 2.81 0.00 0.00 57.97 60.33 1vyn h PHE 36 Cb 0.51 -0.16 -0.02 0.00 3.61 0.00 0.00 35.95 39.89 1vyn h PHE 36 CO 0.00 1.25 -0.73 -0.07 -1.61 0.00 0.00 178.31 177.15 1vyn h LEU 37 N 0.48 0.00 -8.59 1.54 4.07 -0.18 -3.44 115.31 109.18 1vyn h LEU 37 Ca -0.04 0.00 -0.55 0.00 0.08 0.00 0.00 57.88 57.37 1vyn h LEU 37 Cb 1.31 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 43.03 1vyn h LEU 37 CO 0.14 0.67 1.56 0.54 -1.08 0.00 0.00 178.44 180.28 1vyn n ARG 38 N -3.24 1.12 -0.43 1.13 1.74 -0.23 -2.00 116.66 114.74 1vyn n ARG 38 Ca 0.00 0.19 0.00 0.00 -0.77 0.00 0.00 57.85 57.27 1vyn n ARG 38 Cb 0.81 -2.89 0.00 0.00 -1.02 0.00 0.00 32.46 29.36 1vyn n ARG 38 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1vyn n GLY 39 N 6.17 1.56 3.79 -0.13 0.00 0.95 -5.00 105.19 112.52 1vyn n GLY 39 Ca 0.40 -0.18 -0.28 0.00 0.00 0.00 0.00 46.02 45.97 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 -2.03 1.72 -0.04 -0.61 -4.36 -0.85 -4.92 121.20 110.11 1vyn s ILE 40 Ca 0.00 -1.75 0.03 0.00 -0.26 0.00 0.00 60.65 58.67 1vyn s ILE 40 Cb 0.00 -2.46 0.00 0.00 1.25 0.00 0.00 42.46 41.25 1vyn s ILE 40 CO 0.00 0.00 -0.11 0.54 0.24 0.00 0.00 174.94 175.61 1vyn s ASN 41 N -4.00 1.45 0.03 4.36 2.20 -1.26 -0.00 114.94 117.72 1vyn s ASN 41 Ca 0.27 -0.23 0.04 0.00 -0.94 0.00 0.00 52.86 52.01 1vyn s ASN 41 Cb 0.02 -0.46 -0.02 0.00 -2.00 0.00 0.00 41.25 38.79 1vyn s ASN 41 CO 0.16 0.07 -0.13 0.68 -2.94 0.00 0.00 177.10 174.93 1vyn s VAL 42 N 0.28 1.04 -0.53 3.54 -7.23 0.07 -4.44 120.40 113.14 1vyn s VAL 42 Ca -0.06 -0.92 -0.22 0.00 -1.81 0.00 0.00 61.98 58.97 1vyn s VAL 42 Cb -0.11 -0.94 0.05 0.00 0.56 0.00 0.00 36.38 35.94 1vyn s VAL 42 CO 0.01 0.02 0.80 -0.69 -0.31 0.00 0.00 175.10 174.94 1vyn s VAL 43 N -0.79 4.60 -0.42 1.32 1.01 0.14 -0.35 120.40 125.91 1vyn s VAL 43 Ca 0.01 -0.03 -0.22 0.00 0.00 0.00 0.00 61.98 61.74 1vyn s VAL 43 Cb -0.07 -4.43 0.02 0.00 0.00 0.00 0.00 36.38 31.89 1vyn s VAL 43 CO 0.01 -0.97 0.74 -0.47 0.00 0.00 0.00 175.10 174.41 1vyn s TYR 44 N 3.38 3.05 -0.49 5.22 5.04 0.84 -0.24 117.35 134.15 1vyn s TYR 44 Ca 0.24 0.23 -0.19 0.00 -2.44 0.00 0.00 57.07 54.91 1vyn s TYR 44 Cb -0.15 -3.50 0.05 0.00 0.35 0.00 0.00 41.96 38.71 1vyn s TYR 44 CO 0.16 -0.88 0.60 0.95 -1.34 0.00 0.00 175.55 175.05 1vyn s THR 45 N 3.11 4.90 0.01 4.34 -4.23 0.02 -1.43 115.64 122.36 1vyn s THR 45 Ca 0.28 -0.41 -0.30 0.00 -1.18 0.00 0.00 61.69 60.08 1vyn s THR 45 Cb -0.13 -4.26 -0.04 0.00 1.34 0.00 0.00 72.50 69.41 1vyn s THR 45 CO 0.20 -0.74 1.10 -2.84 -0.54 0.00 0.00 174.62 171.80 1vyn s PRO 46 N 2.58 4.47 0.43 3.99 0.02 -1.26 -4.83 135.00 140.40 1vyn s PRO 46 Ca 0.15 1.59 -0.23 0.00 0.02 0.00 0.00 61.00 62.54 1vyn s PRO 46 Cb -0.18 -3.43 -0.11 0.00 0.02 0.00 0.00 34.50 30.80 1vyn s PRO 46 CO 0.13 -0.20 0.79 -2.30 -0.33 0.00 0.00 177.00 175.09 1vyn n PRO 47 N 4.13 0.95 0.19 5.54 -0.02 -1.26 -4.75 135.00 139.78 1vyn n PRO 47 Ca 0.08 0.34 0.18 0.00 -2.02 0.00 0.00 63.50 62.08 1vyn n PRO 47 Cb 0.48 -1.80 0.76 0.00 -0.02 0.00 0.00 33.50 32.92 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 1.12 0.00 0.00 -0.52 3.07 -1.94 0.22 115.11 117.06 1vyn h GLN 48 Ca -0.43 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.31 1vyn h GLN 48 Cb 1.37 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.93 1vyn h GLN 48 CO 0.54 0.00 0.00 0.77 0.09 0.00 0.00 178.83 180.23 1vyn h SER 49 N 0.00 0.00 0.56 0.06 0.02 -1.87 -2.50 113.55 109.82 1vyn h SER 49 Ca 0.12 0.00 -0.29 0.00 -0.84 0.00 0.00 61.79 60.78 1vyn h SER 49 Cb 0.95 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.48 1vyn h SER 49 CO -0.00 0.00 -1.43 -0.26 -1.14 0.00 0.00 176.83 174.00 1vyn h PHE 50 N 0.00 0.35 -4.00 3.45 0.04 -0.88 -3.48 116.94 112.42 1vyn h PHE 50 Ca 0.00 -0.26 -0.31 0.00 2.80 0.00 0.00 57.97 60.20 1vyn h PHE 50 Cb 0.28 -0.01 0.07 0.00 2.20 0.00 0.00 35.95 38.49 1vyn h PHE 50 CO 0.00 1.28 -0.49 1.04 -0.60 0.00 0.00 178.31 179.53 1vyn n GLN 51 N -3.41 -4.68 -4.76 1.51 6.02 -0.94 -5.01 117.38 106.10 1vyn n GLN 51 Ca -0.13 0.69 -0.31 0.00 -0.01 0.00 0.00 57.00 57.24 1vyn n GLN 51 Cb 1.03 -5.14 -0.13 0.00 1.02 0.00 0.00 30.24 27.01 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 -2.94 3.72 0.29 1.08 0.01 -1.26 -5.12 113.70 109.48 1vyn s SER 52 Ca 0.32 -0.41 -0.28 0.00 1.31 0.00 0.00 55.95 56.88 1vyn s SER 52 Cb -0.14 -0.59 -0.09 0.00 0.21 0.00 0.00 66.02 65.41 1vyn s SER 52 CO 0.39 0.27 0.99 0.00 0.41 0.00 0.00 173.24 175.31 1vyn s ALA 53 N -0.87 3.29 -0.12 1.44 0.00 -1.26 -4.55 121.76 119.69 1vyn s ALA 53 Ca 0.14 0.67 -0.36 0.00 0.00 0.00 0.00 51.96 52.41 1vyn s ALA 53 Cb -0.10 -3.24 -0.14 0.00 0.00 0.00 0.00 23.12 19.64 1vyn s ALA 53 CO 0.04 0.05 1.78 -2.30 0.00 0.00 0.00 175.76 175.33 1vyn n PRO 54 N 0.95 1.76 -4.23 0.00 -0.02 -1.26 -4.80 135.00 127.40 1vyn n PRO 54 Ca 0.00 0.64 -0.35 0.00 -2.02 0.00 0.00 63.50 61.78 1vyn n PRO 54 Cb 0.48 -2.42 -0.10 0.00 -0.02 0.00 0.00 33.50 31.44 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 3.41 3.44 -0.42 -0.52 1.81 -0.51 -4.86 118.95 121.31 1vyn s ARG 55 Ca 0.93 -0.38 -0.25 0.00 -1.72 0.00 0.00 55.73 54.31 1vyn s ARG 55 Cb -0.84 -2.97 0.02 0.00 -0.45 0.00 0.00 34.95 30.71 1vyn s ARG 55 CO 0.55 0.50 0.89 0.08 -0.68 0.00 0.00 175.30 176.64 1vyn s VAL 56 N -0.31 4.56 -0.13 3.52 1.01 -1.26 -0.11 120.40 127.69 1vyn s VAL 56 Ca 0.07 0.88 -0.04 0.00 0.00 0.00 0.00 61.98 62.89 1vyn s VAL 56 Cb -0.12 -4.36 -0.03 0.00 0.00 0.00 0.00 36.38 31.87 1vyn s VAL 56 CO 0.02 -0.67 0.02 -0.31 0.00 0.00 0.00 175.10 174.16 1vyn s TYR 57 N 3.52 3.18 -0.40 5.22 2.02 0.53 -4.89 117.35 126.52 1vyn s TYR 57 Ca 0.36 0.08 -0.19 0.00 -0.37 0.00 0.00 57.07 56.95 1vyn s TYR 57 Cb -0.11 -1.91 0.01 0.00 -0.40 0.00 0.00 41.96 39.55 1vyn s TYR 57 CO 0.22 0.29 0.53 0.50 -1.57 0.00 0.00 175.55 175.53 1vyn s ARG 58 N -0.29 3.34 -0.10 -0.62 3.00 -1.26 -0.75 118.95 122.26 1vyn s ARG 58 Ca 0.07 -0.42 -0.30 0.00 -1.00 0.00 0.00 55.73 54.08 1vyn s ARG 58 Cb -0.12 -3.91 -0.02 0.00 0.00 0.00 0.00 34.95 30.90 1vyn s ARG 58 CO 0.02 -0.84 1.19 0.08 0.00 0.00 0.00 175.30 175.76 1vyn s VAL 59 N 2.46 4.32 -0.02 7.11 1.01 1.00 -2.59 120.40 133.69 1vyn s VAL 59 Ca 0.18 1.63 0.00 0.00 0.00 0.00 0.00 61.98 63.79 1vyn s VAL 59 Cb -0.15 -4.05 -0.26 0.00 0.00 0.00 0.00 36.38 31.92 1vyn s VAL 59 CO 0.15 -0.05 0.74 -1.13 0.00 0.00 0.00 175.10 174.82 1vyn h ASN 60 N 7.63 0.28 0.00 3.32 -0.73 -1.72 0.27 115.58 124.64 1vyn h ASN 60 Ca -0.31 -0.47 0.00 0.00 1.87 0.00 0.00 56.30 57.39 1vyn h ASN 60 Cb 1.14 -0.09 0.00 0.00 0.27 0.00 0.00 38.32 39.64 1vyn h ASN 60 CO 0.91 1.40 0.00 0.61 -0.37 0.00 0.00 177.43 179.98 1vyn n GLY 61 N 1.69 -0.73 3.30 1.57 0.00 -1.06 -4.20 105.19 105.77 1vyn n GLY 61 Ca -0.19 -0.36 -0.20 0.00 0.00 0.00 0.00 46.02 45.28 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 0.15 0.99 1.43 -1.26 -1.00 118.68 121.43 1vyn s LEU 62 Ca 0.00 -0.87 -0.28 0.00 -1.03 0.00 0.00 54.13 51.94 1vyn s LEU 62 Cb 0.00 -0.70 -0.07 0.00 0.03 0.00 0.00 46.19 45.45 1vyn s LEU 62 CO 0.00 -0.10 0.89 -0.44 0.23 0.00 0.00 176.35 176.93 1vyn s SER 63 N -2.71 7.48 0.56 2.29 0.01 0.67 -4.82 113.70 117.18 1vyn s SER 63 Ca 0.15 1.76 0.32 0.00 1.31 0.00 0.00 55.95 59.49 1vyn s SER 63 Cb -0.04 -2.56 1.47 0.00 0.21 0.00 0.00 66.02 65.10 1vyn s SER 63 CO 0.05 0.06 1.83 0.03 0.41 0.00 0.00 173.24 175.63 1vyn h ARG 64 N 4.95 0.00 -6.30 12.44 3.08 -2.00 -3.40 114.38 123.15 1vyn h ARG 64 Ca -0.44 0.00 -0.59 0.00 0.07 0.00 0.00 59.98 59.02 1vyn h ARG 64 Cb 1.21 0.00 -0.23 0.00 0.08 0.00 0.00 29.97 31.03 1vyn h ARG 64 CO 0.70 0.00 -0.84 0.00 -1.07 0.00 0.00 179.97 178.76 1vyn s ALA 65 N -4.84 1.92 0.76 0.04 0.00 -1.26 -5.07 121.76 113.31 1vyn s ALA 65 Ca -0.05 -1.26 -0.13 0.00 0.00 0.00 0.00 51.96 50.53 1vyn s ALA 65 Cb 0.20 -0.29 0.06 0.00 0.00 0.00 0.00 23.12 23.08 1vyn s ALA 65 CO 0.70 0.40 1.13 -2.14 0.00 0.00 0.00 175.76 175.86 1vyn s PRO 66 N -1.79 2.11 0.29 0.00 0.02 -1.26 -3.34 135.00 131.03 1vyn s PRO 66 Ca 0.08 1.43 0.22 0.00 0.02 0.00 0.00 61.00 62.75 1vyn s PRO 66 Cb -0.10 -1.86 1.08 0.00 0.02 0.00 0.00 34.50 33.64 1vyn s PRO 66 CO 0.04 -1.79 1.66 0.00 -0.33 0.00 0.00 177.00 176.58 1vyn n ALA 67 N -3.22 1.25 0.13 -1.55 0.00 0.18 -1.57 120.51 115.73 1vyn n ALA 67 Ca 0.11 0.16 0.02 0.00 0.00 0.00 0.00 53.44 53.73 1vyn n ALA 67 Cb 0.52 -1.33 0.38 0.00 0.00 0.00 0.00 19.45 19.02 1vyn n ALA 67 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 1vyn h SER 68 N 0.00 0.20 0.00 0.00 0.02 -1.73 -2.46 113.55 109.58 1vyn h SER 68 Ca 0.00 -0.04 0.00 0.00 -0.84 0.00 0.00 61.79 60.91 1vyn h SER 68 Cb 0.12 -0.05 0.00 0.00 0.14 0.00 0.00 62.40 62.61 1vyn h SER 68 CO 0.00 0.38 0.00 -0.24 -1.14 0.00 0.00 176.83 175.83 1vyn n SER 69 N -4.25 0.72 -4.67 3.07 2.88 -0.61 -4.82 113.62 105.94 1vyn n SER 69 Ca -0.01 -1.13 -0.42 0.00 -1.33 0.00 0.00 58.87 55.98 1vyn n SER 69 Cb 0.29 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 63.71 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 -0.13 4.30 0.12 -1.46 0.41 -0.78 -5.00 118.70 116.15 1vyn s GLU 70 Ca 0.00 1.14 -0.10 0.00 -0.41 0.00 0.00 54.97 55.60 1vyn s GLU 70 Cb 0.00 -3.59 -0.06 0.00 -1.78 0.00 0.00 34.13 28.70 1vyn s GLU 70 CO 0.00 -0.40 0.44 0.95 -0.49 0.00 0.00 175.26 175.76 1vyn s THR 71 N 2.39 5.04 0.07 3.63 -4.23 -1.26 -2.89 115.64 118.40 1vyn s THR 71 Ca 0.41 0.46 -0.13 0.00 -1.18 0.00 0.00 61.69 61.24 1vyn s THR 71 Cb -0.16 -3.65 0.02 0.00 1.34 0.00 0.00 72.50 70.04 1vyn s THR 71 CO 0.12 0.20 0.31 0.72 -0.54 0.00 0.00 174.62 175.43 1vyn s PHE 72 N -1.50 -0.08 -0.36 3.99 -0.71 -0.00 -4.92 117.98 114.39 1vyn s PHE 72 Ca 0.37 -0.15 -0.19 0.00 -1.04 0.00 0.00 56.93 55.92 1vyn s PHE 72 Cb -0.13 0.11 0.00 0.00 -1.21 0.00 0.00 43.02 41.78 1vyn s PHE 72 CO 0.19 -0.56 0.54 -2.00 -1.34 0.00 0.00 175.22 172.06 1vyn s GLU 73 N -3.07 3.58 -0.04 1.99 2.12 -1.26 -1.43 118.70 120.59 1vyn s GLU 73 Ca -0.01 -0.17 0.01 0.00 0.36 0.00 0.00 54.97 55.16 1vyn s GLU 73 Cb 0.01 -3.83 0.02 0.00 0.26 0.00 0.00 34.13 30.60 1vyn s GLU 73 CO -0.07 -0.69 -0.04 -1.58 -0.54 0.00 0.00 175.26 172.34 1vyn s HIS 74 N 2.46 0.72 -1.10 5.30 2.46 0.95 -4.75 115.29 121.33 1vyn s HIS 74 Ca 0.20 -0.19 0.00 0.00 0.47 0.00 0.00 55.06 55.53 1vyn s HIS 74 Cb -0.15 -0.65 0.00 0.00 -0.13 0.00 0.00 32.58 31.65 1vyn s HIS 74 CO 0.14 -0.19 0.00 -3.47 -2.47 0.00 0.00 174.74 168.75 1vyn n ASP 75 N 4.07 -4.81 0.00 9.88 2.03 -1.26 -0.51 116.55 125.96 1vyn n ASP 75 Ca -0.25 0.26 0.00 0.00 0.52 0.00 0.00 54.79 55.32 1vyn n ASP 75 Cb 0.51 -3.22 0.00 0.00 -0.72 0.00 0.00 41.12 37.69 1vyn n ASP 75 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1vyn n GLY 76 N -0.97 1.17 3.70 0.27 0.00 -1.26 -5.04 105.19 103.07 1vyn n GLY 76 Ca -0.10 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.56 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 -0.37 3.08 -0.47 1.61 -0.14 0.34 -5.06 119.74 118.72 1vyn s LYS 77 Ca 0.00 -0.37 -0.21 0.00 -1.36 0.00 0.00 55.97 54.03 1vyn s LYS 77 Cb 0.00 -2.86 0.03 0.00 -1.68 0.00 0.00 37.83 33.32 1vyn s LYS 77 CO 0.00 0.69 0.71 0.15 -0.76 0.00 0.00 175.35 176.14 1vyn s LYS 78 N -0.84 3.27 0.46 1.68 1.02 -1.26 -0.03 119.74 124.03 1vyn s LYS 78 Ca 0.13 -0.43 0.03 0.00 0.02 0.00 0.00 55.97 55.72 1vyn s LYS 78 Cb -0.11 -4.00 -0.04 0.00 -0.52 0.00 0.00 37.83 33.16 1vyn s LYS 78 CO 0.02 -1.15 0.03 0.14 -0.92 0.00 0.00 175.35 173.47 1vyn s VAL 79 N 3.04 1.32 -0.03 3.17 -7.23 -0.51 -4.83 120.40 115.32 1vyn s VAL 79 Ca 0.23 -2.00 -0.02 0.00 -1.81 0.00 0.00 61.98 58.38 1vyn s VAL 79 Cb -0.15 -2.46 -0.04 0.00 0.56 0.00 0.00 36.38 34.29 1vyn s VAL 79 CO 0.18 0.00 0.09 0.42 -0.31 0.00 0.00 175.10 175.48 1vyn s THR 80 N -2.91 4.88 0.40 5.32 -4.23 -1.26 -0.82 115.64 117.02 1vyn s THR 80 Ca 0.18 -0.26 0.10 0.00 -1.18 0.00 0.00 61.69 60.53 1vyn s THR 80 Cb 0.05 -3.20 0.30 0.00 1.34 0.00 0.00 72.50 70.99 1vyn s THR 80 CO 0.10 0.43 1.98 0.40 -0.54 0.00 0.00 174.62 176.98 1vyn h ILE 81 N 3.41 0.97 -0.14 2.99 2.04 -1.47 0.27 117.51 125.59 1vyn h ILE 81 Ca -0.50 -0.20 -0.00 0.00 1.00 0.00 0.00 64.86 65.16 1vyn h ILE 81 Cb 1.19 0.35 -0.01 0.00 -0.74 0.00 0.00 36.82 37.62 1vyn h ILE 81 CO 0.61 0.10 0.09 0.00 0.00 0.00 0.00 178.15 178.95 1vyn h ALA 82 N 1.67 0.18 -0.03 1.87 0.00 -1.76 -1.10 119.26 120.10 1vyn h ALA 82 Ca 0.28 -0.04 -0.17 0.00 0.00 0.00 0.00 54.91 54.98 1vyn h ALA 82 Cb 0.35 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 1vyn h ALA 82 CO -0.08 -0.31 -0.75 1.03 0.00 0.00 0.00 179.25 179.14 1vyn h SER 83 N 0.16 0.24 -0.26 0.00 0.87 -1.61 -2.40 113.55 110.55 1vyn h SER 83 Ca 0.05 -0.16 -0.02 0.00 -1.23 0.00 0.00 61.79 60.43 1vyn h SER 83 Cb 0.03 -0.07 -0.01 0.00 -0.44 0.00 0.00 62.40 61.91 1vyn h SER 83 CO -0.01 0.90 0.09 0.22 -0.53 0.00 0.00 176.83 177.50 1vyn h TYR 84 N 0.12 0.40 -0.03 2.24 3.20 -0.27 0.14 116.97 122.77 1vyn h TYR 84 Ca -0.02 -0.04 -0.17 0.00 3.14 0.00 0.00 58.73 61.64 1vyn h TYR 84 Cb 1.32 -0.12 -0.01 0.00 1.54 0.00 0.00 36.73 39.46 1vyn h TYR 84 CO 0.02 0.43 -0.75 0.74 -1.64 0.00 0.00 178.16 176.96 1vyn h PHE 85 N 0.25 0.30 -0.03 -3.82 0.04 -1.27 -2.44 116.94 109.98 1vyn h PHE 85 Ca 0.08 -0.14 0.00 0.00 2.80 0.00 0.00 57.97 60.71 1vyn h PHE 85 Cb 0.21 -0.04 -0.00 0.00 2.20 0.00 0.00 35.95 38.31 1vyn h PHE 85 CO -0.00 0.89 -0.00 1.25 -0.60 0.00 0.00 178.31 179.85 1vyn h HIS 86 N 0.14 -0.00 0.00 -0.55 2.76 -1.10 0.28 115.15 116.68 1vyn h HIS 86 Ca -0.03 0.00 -0.04 0.00 -2.20 0.00 0.00 60.37 58.11 1vyn h HIS 86 Cb 1.32 0.01 -0.01 0.00 1.55 0.00 0.00 27.41 30.28 1vyn h HIS 86 CO 0.03 -0.00 -0.19 0.66 -1.30 0.00 0.00 177.93 177.13 1vyn h SER 87 N 0.01 0.00 -0.00 3.26 4.64 -1.04 -2.06 113.55 118.36 1vyn h SER 87 Ca 0.01 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.33 1vyn h SER 87 Cb 0.02 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.11 1vyn h SER 87 CO -0.02 0.19 0.00 -1.14 -0.87 0.00 0.00 176.83 174.98 1vyn n ARG 88 N -3.29 1.01 -2.46 4.77 3.00 -0.75 -4.85 116.66 114.08 1vyn n ARG 88 Ca 0.01 -0.02 -0.08 0.00 -0.00 0.00 0.00 57.85 57.76 1vyn n ARG 88 Cb 0.44 -1.13 0.01 0.00 0.00 0.00 0.00 32.46 31.78 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 -0.61 -3.11 -3.45 6.15 5.03 -0.78 -4.77 115.26 113.71 1vyn n ASN 89 Ca 0.06 -0.09 -0.28 0.00 0.87 0.00 0.00 54.58 55.14 1vyn n ASN 89 Cb 0.03 -2.11 -0.11 0.00 -1.02 0.00 0.00 39.78 36.57 1vyn n ASN 89 CO 0.00 0.00 0.00 -0.47 -1.83 0.00 0.00 177.26 174.96 1vyn s TYR 90 N -2.69 0.87 -0.07 3.10 5.04 0.90 -4.99 117.35 119.51 1vyn s TYR 90 Ca 0.09 -1.85 -0.29 0.00 -2.44 0.00 0.00 57.07 52.58 1vyn s TYR 90 Cb -0.04 -0.95 -0.06 0.00 0.35 0.00 0.00 41.96 41.26 1vyn s TYR 90 CO 0.11 -0.83 1.89 -1.25 -1.34 0.00 0.00 175.55 174.13 1vyn s PRO 91 N 0.76 3.91 0.25 4.97 0.04 -1.26 -3.40 135.00 140.27 1vyn s PRO 91 Ca 0.22 2.27 -0.31 0.00 0.04 0.00 0.00 61.00 63.22 1vyn s PRO 91 Cb -0.15 -4.14 -0.12 0.00 0.04 0.00 0.00 34.50 30.12 1vyn s PRO 91 CO -0.05 -1.20 1.67 1.28 0.04 0.00 0.00 177.00 178.74 1vyn n LEU 92 N 8.35 4.20 0.15 -3.56 4.77 -1.26 -4.88 117.00 124.77 1vyn n LEU 92 Ca 0.21 1.10 0.00 0.00 -0.03 0.00 0.00 56.01 57.29 1vyn n LEU 92 Cb 0.43 -1.59 0.19 0.00 -2.33 0.00 0.00 43.42 40.12 1vyn n LEU 92 CO 0.66 0.18 0.52 0.11 -1.33 0.00 0.00 177.39 177.53 1vyn h LYS 93 N 5.82 0.00 -2.02 3.23 1.57 -2.02 -3.36 116.57 119.80 1vyn h LYS 93 Ca -0.45 0.00 -0.55 0.00 -1.87 0.00 0.00 60.65 57.78 1vyn h LYS 93 Cb 1.21 0.00 -0.38 0.00 0.08 0.00 0.00 32.23 33.15 1vyn h LYS 93 CO 0.88 0.57 -1.05 1.19 -0.57 0.00 0.00 179.45 180.48 1vyn n PHE 94 N -3.70 -0.67 0.42 -1.35 3.72 -1.26 -4.85 117.46 109.77 1vyn n PHE 94 Ca -0.01 -3.40 0.09 0.00 -0.05 0.00 0.00 57.45 54.08 1vyn n PHE 94 Cb 0.61 -0.10 0.37 0.00 -0.94 0.00 0.00 39.48 39.42 1vyn n PHE 94 CO 0.00 0.00 0.00 -2.30 -0.05 0.00 0.00 176.76 174.41 1vyn n PRO 95 N 1.82 0.08 -0.00 -1.08 -0.02 -1.26 -2.86 135.00 131.68 1vyn n PRO 95 Ca 0.23 0.34 0.15 0.00 -2.02 0.00 0.00 63.50 62.20 1vyn n PRO 95 Cb 0.52 -1.65 0.70 0.00 -0.02 0.00 0.00 33.50 33.05 1vyn n PRO 95 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 1vyn n GLN 96 N -1.80 1.39 -2.56 -0.52 6.02 -1.26 -2.54 117.38 116.11 1vyn n GLN 96 Ca 0.03 -0.56 -0.32 0.00 -0.01 0.00 0.00 57.00 56.13 1vyn n GLN 96 Cb 0.18 -1.49 -0.05 0.00 1.02 0.00 0.00 30.24 29.90 1vyn n GLN 96 CO 0.00 0.00 0.00 -0.48 -1.01 0.00 0.00 177.06 175.57 1vyn s LEU 97 N -2.00 3.74 0.41 1.08 0.05 -1.13 -4.15 118.68 116.68 1vyn s LEU 97 Ca 0.42 1.61 -0.25 0.00 0.05 0.00 0.00 54.13 55.95 1vyn s LEU 97 Cb 0.21 -4.51 -0.08 0.00 -2.05 0.00 0.00 46.19 39.76 1vyn s LEU 97 CO 0.35 -0.50 1.27 -1.00 -0.55 0.00 0.00 176.35 175.92 1vyn s HIS 98 N -2.46 2.84 0.07 3.48 3.76 -1.26 -0.65 115.29 121.07 1vyn s HIS 98 Ca 0.60 1.44 -0.31 0.00 -0.15 0.00 0.00 55.06 56.64 1vyn s HIS 98 Cb -0.10 -3.61 -0.07 0.00 1.11 0.00 0.00 32.58 29.91 1vyn s HIS 98 CO 0.25 -1.96 1.38 0.00 -0.85 0.00 0.00 174.74 173.56 1vyn s LEU 100 N 1.61 4.37 -0.43 0.00 2.96 0.96 -0.24 118.68 127.90 1vyn s LEU 100 Ca 0.64 2.30 -0.06 0.00 -0.22 0.00 0.00 54.13 56.79 1vyn s LEU 100 Cb -0.34 -3.58 0.11 0.00 0.50 0.00 0.00 46.19 42.88 1vyn s LEU 100 CO 0.29 -0.66 0.26 0.21 -1.32 0.00 0.00 176.35 175.14 1vyn s ASN 101 N 1.20 5.46 0.33 3.68 2.47 -0.17 -1.34 114.94 126.57 1vyn s ASN 101 Ca 0.64 -1.94 0.09 0.00 0.42 0.00 0.00 52.86 52.07 1vyn s ASN 101 Cb -0.36 -1.91 -0.05 0.00 -1.45 0.00 0.00 41.25 37.48 1vyn s ASN 101 CO 0.30 -0.60 0.09 0.68 -3.72 0.00 0.00 177.10 173.84 1vyn s VAL 102 N 1.25 2.98 0.00 -5.21 -7.23 -0.26 -2.43 120.40 109.50 1vyn s VAL 102 Ca 0.07 -1.79 0.00 0.00 -1.81 0.00 0.00 61.98 58.44 1vyn s VAL 102 Cb -0.24 -2.92 0.00 0.00 0.56 0.00 0.00 36.38 33.78 1vyn s VAL 102 CO -0.02 -0.21 0.00 0.61 -0.31 0.00 0.00 175.10 175.16 1vyn n GLY 103 N -1.06 1.19 3.52 2.32 0.00 -1.07 -0.81 105.19 109.28 1vyn n GLY 103 Ca -0.04 -0.95 -0.12 0.00 0.00 0.00 0.00 46.02 44.91 1vyn n GLY 103 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1vyn s SER 104 N -4.00 0.36 0.40 1.61 0.15 -0.02 -4.86 113.70 107.34 1vyn s SER 104 Ca 0.00 -1.22 0.09 0.00 0.70 0.00 0.00 55.95 55.52 1vyn s SER 104 Cb 0.00 0.61 0.84 0.00 -1.71 0.00 0.00 66.02 65.76 1vyn s SER 104 CO 0.00 -1.20 1.97 0.28 1.20 0.00 0.00 173.24 175.49 1vyn h SER 105 N 2.22 0.29 0.49 5.45 0.02 -2.00 -2.96 113.55 117.05 1vyn h SER 105 Ca -0.28 -0.04 -0.30 0.00 -0.84 0.00 0.00 61.79 60.33 1vyn h SER 105 Cb 1.25 -0.07 -0.01 0.00 0.14 0.00 0.00 62.40 63.70 1vyn h SER 105 CO 0.39 0.35 -1.50 0.16 -1.14 0.00 0.00 176.83 175.09 1vyn h ILE 106 N 0.31 1.19 -3.70 3.27 3.07 -2.00 -3.42 117.51 116.22 1vyn h ILE 106 Ca 0.07 -2.84 -0.68 0.00 1.55 0.00 0.00 64.86 62.96 1vyn h ILE 106 Cb 0.23 2.76 -0.34 0.00 -0.27 0.00 0.00 36.82 39.20 1vyn h ILE 106 CO 0.01 0.82 -0.67 -0.54 -1.05 0.00 0.00 178.15 176.71 1vyn s LYS 107 N -2.62 2.23 -0.54 0.16 -0.14 -1.12 -5.06 119.74 112.65 1vyn s LYS 107 Ca -0.08 -1.46 -0.16 0.00 -1.36 0.00 0.00 55.97 52.91 1vyn s LYS 107 Cb 0.07 -3.26 0.13 0.00 -1.68 0.00 0.00 37.83 33.09 1vyn s LYS 107 CO 0.85 -0.75 0.50 0.45 -0.76 0.00 0.00 175.35 175.65 1vyn s SER 108 N 1.34 6.19 -0.42 2.83 0.15 -1.25 -0.84 113.70 121.70 1vyn s SER 108 Ca -0.01 -1.76 -0.22 0.00 0.70 0.00 0.00 55.95 54.66 1vyn s SER 108 Cb -0.20 -2.21 0.02 0.00 -1.71 0.00 0.00 66.02 61.91 1vyn s SER 108 CO -0.03 -0.86 0.72 -0.63 1.20 0.00 0.00 173.24 173.64 1vyn s ILE 109 N 1.64 4.74 -0.26 6.45 1.01 0.01 -4.93 121.20 129.87 1vyn s ILE 109 Ca 0.03 0.42 -0.10 0.00 0.00 0.00 0.00 60.65 61.00 1vyn s ILE 109 Cb -0.30 -4.24 -0.04 0.00 0.01 0.00 0.00 42.46 37.89 1vyn s ILE 109 CO 0.03 -0.59 0.15 -0.76 0.00 0.00 0.00 174.94 173.77 1vyn s LEU 110 N 3.05 3.87 0.03 2.97 1.43 -1.25 -1.10 118.68 127.68 1vyn s LEU 110 Ca 0.27 -0.04 -0.14 0.00 -1.03 0.00 0.00 54.13 53.20 1vyn s LEU 110 Cb -0.13 -2.06 0.02 0.00 0.03 0.00 0.00 46.19 44.05 1vyn s LEU 110 CO 0.20 -0.02 0.29 -1.48 0.23 0.00 0.00 176.35 175.58 1vyn s LEU 111 N 1.54 0.92 0.34 1.79 0.05 -0.45 -4.90 118.68 117.98 1vyn s LEU 111 Ca 0.07 -0.14 -0.25 0.00 0.05 0.00 0.00 54.13 53.85 1vyn s LEU 111 Cb -0.15 1.29 -0.10 0.00 -2.05 0.00 0.00 46.19 45.18 1vyn s LEU 111 CO 0.08 -0.57 0.96 -2.84 -0.55 0.00 0.00 176.35 173.42 1vyn s PRO 112 N -2.26 4.50 0.12 1.48 0.02 -1.26 -0.03 135.00 137.58 1vyn s PRO 112 Ca -0.07 1.32 0.22 0.00 0.02 0.00 0.00 61.00 62.49 1vyn s PRO 112 Cb -0.02 -2.69 0.89 0.00 0.02 0.00 0.00 34.50 32.70 1vyn s PRO 112 CO -0.02 0.20 1.69 1.51 -0.33 0.00 0.00 177.00 180.06 1vyn n ILE 113 N 0.34 0.68 -0.18 2.83 0.13 -1.26 -2.75 119.36 119.15 1vyn n ILE 113 Ca 0.03 0.09 0.12 0.00 -1.10 0.00 0.00 62.75 61.89 1vyn n ILE 113 Cb 0.51 -0.88 0.44 0.00 -0.84 0.00 0.00 39.64 38.87 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 0.54 -0.70 9.51 4.57 -1.95 -1.12 114.58 125.43 1vyn h GLU 114 Ca 0.00 -0.03 0.00 0.00 -1.18 0.00 0.00 59.36 58.15 1vyn h GLU 114 Cb 0.43 -0.12 0.00 0.00 -0.16 0.00 0.00 28.75 28.90 1vyn h GLU 114 CO 0.00 0.36 0.00 1.28 -1.18 0.00 0.00 179.01 179.47 1vyn n LEU 115 N -4.50 4.16 -4.54 1.64 4.77 -1.11 -4.80 117.00 112.62 1vyn n LEU 115 Ca 0.13 -2.09 -0.34 0.00 -0.03 0.00 0.00 56.01 53.69 1vyn n LEU 115 Cb 0.41 -0.52 -0.12 0.00 -2.33 0.00 0.00 43.42 40.87 1vyn n LEU 115 CO 0.32 0.91 -0.38 0.00 -1.33 0.00 0.00 177.39 176.91 1vyn s SER 117 N -0.44 3.63 -0.10 0.00 0.01 0.67 -2.11 113.70 115.35 1vyn s SER 117 Ca 0.06 -0.44 -0.12 0.00 1.31 0.00 0.00 55.95 56.77 1vyn s SER 117 Cb -0.12 -0.55 -0.05 0.00 0.21 0.00 0.00 66.02 65.51 1vyn s SER 117 CO 0.02 0.27 0.26 -0.51 0.41 0.00 0.00 173.24 173.70 1vyn s ILE 118 N -0.85 5.30 -0.37 1.44 2.07 0.16 0.23 121.20 129.18 1vyn s ILE 118 Ca 0.13 0.50 -0.29 0.00 -1.41 0.00 0.00 60.65 59.58 1vyn s ILE 118 Cb -0.10 -3.57 0.00 0.00 0.13 0.00 0.00 42.46 38.92 1vyn s ILE 118 CO 0.03 0.52 1.49 -0.70 -1.91 0.00 0.00 174.94 174.38 1vyn s GLU 119 N -0.46 3.57 0.00 3.50 -6.30 -1.26 0.05 118.70 117.79 1vyn s GLU 119 Ca 0.17 1.11 0.31 0.00 -2.50 0.00 0.00 54.97 54.06 1vyn s GLU 119 Cb -0.14 -4.05 1.62 0.00 0.00 0.00 0.00 34.13 31.57 1vyn s GLU 119 CO 0.06 -1.57 2.07 -0.85 0.02 0.00 0.00 175.26 174.99