#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 3.63 -0.28 0.00 1.00 -0.61 -4.90 119.30 118.14 1vyn s MET 5 Ca 0.00 -0.55 -0.40 0.00 0.00 0.00 0.00 55.69 54.74 1vyn s MET 5 Cb 0.00 -3.74 -0.16 0.00 0.00 0.00 0.00 34.83 30.94 1vyn s MET 5 CO 0.00 -0.36 1.75 -2.30 0.00 0.00 0.00 175.02 174.12 1vyn n PRO 6 N 5.08 1.16 0.25 2.03 -0.02 -1.26 0.13 135.00 142.37 1vyn n PRO 6 Ca -0.13 0.42 0.08 0.00 -2.02 0.00 0.00 63.50 61.85 1vyn n PRO 6 Cb 0.50 -2.11 0.61 0.00 -0.02 0.00 0.00 33.50 32.48 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 7.26 0.00 -0.27 -0.52 2.86 -1.30 0.21 114.93 123.16 1vyn h MET 7 Ca -0.46 0.00 -0.06 0.00 -2.06 0.00 0.00 59.70 57.12 1vyn h MET 7 Cb 1.32 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.97 1vyn h MET 7 CO 0.96 0.09 -0.07 0.82 1.06 0.00 0.00 176.91 179.78 1vyn h ILE 8 N 0.00 1.28 -0.24 -1.22 1.08 -1.77 -0.09 117.51 116.55 1vyn h ILE 8 Ca -0.00 -1.09 -0.10 0.00 -0.39 0.00 0.00 64.86 63.28 1vyn h ILE 8 Cb 0.18 1.44 -0.01 0.00 -3.07 0.00 0.00 36.82 35.35 1vyn h ILE 8 CO 0.01 0.34 -0.28 -0.08 -0.69 0.00 0.00 178.15 177.46 1vyn h GLU 9 N 0.28 0.48 -0.58 2.37 4.81 -1.59 0.15 114.58 120.50 1vyn h GLU 9 Ca 0.07 -0.19 0.06 0.00 -0.13 0.00 0.00 59.36 59.17 1vyn h GLU 9 Cb 0.54 -0.02 -0.05 0.00 0.63 0.00 0.00 28.75 29.85 1vyn h GLU 9 CO 0.03 0.72 0.29 -0.92 -0.73 0.00 0.00 179.01 178.39 1vyn h TYR 10 N 0.42 0.52 -0.07 0.92 3.20 -0.45 0.33 116.97 121.84 1vyn h TYR 10 Ca 0.06 0.02 -0.01 0.00 3.14 0.00 0.00 58.73 61.95 1vyn h TYR 10 Cb 0.71 -0.15 -0.00 0.00 1.54 0.00 0.00 36.73 38.83 1vyn h TYR 10 CO 0.02 0.23 0.02 -0.07 -1.64 0.00 0.00 178.16 176.73 1vyn h LEU 11 N 0.54 0.11 -0.09 2.82 3.38 -0.37 0.12 115.31 121.81 1vyn h LEU 11 Ca 0.27 -0.19 0.02 0.00 0.09 0.00 0.00 57.88 58.06 1vyn h LEU 11 Cb 0.21 -0.03 -0.02 0.00 0.09 0.00 0.00 40.66 40.91 1vyn h LEU 11 CO -0.20 0.27 -0.03 -0.08 0.09 0.00 0.00 178.44 178.50 1vyn h GLU 12 N -0.07 -0.01 0.01 1.13 4.81 -0.15 0.84 114.58 121.14 1vyn h GLU 12 Ca 0.02 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.25 1vyn h GLU 12 Cb 0.20 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.58 1vyn h GLU 12 CO -0.00 -0.00 -0.00 0.00 -0.73 0.00 0.00 179.01 178.27 1vyn h ARG 13 N -0.01 -0.01 0.00 1.92 3.08 -0.40 0.18 114.38 119.15 1vyn h ARG 13 Ca 0.04 0.00 -0.28 0.00 0.07 0.00 0.00 59.98 59.82 1vyn h ARG 13 Cb 0.07 0.00 -0.05 0.00 0.08 0.00 0.00 29.97 30.07 1vyn h ARG 13 CO -0.10 0.77 -1.99 1.19 -1.07 0.00 0.00 179.97 178.78 1vyn n PHE 14 N -4.66 0.45 -0.12 3.04 3.72 0.40 -2.94 117.46 117.34 1vyn n PHE 14 Ca -0.08 0.16 -0.19 0.00 -0.05 0.00 0.00 57.45 57.28 1vyn n PHE 14 Cb 0.38 -1.02 -0.11 0.00 -0.94 0.00 0.00 39.48 37.79 1vyn n PHE 14 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 1vyn n SER 15 N -2.81 2.05 -0.02 4.37 2.88 -0.39 -4.56 113.62 115.15 1vyn n SER 15 Ca -0.22 -0.02 -0.13 0.00 -1.33 0.00 0.00 58.87 57.17 1vyn n SER 15 Cb 1.02 -0.47 -0.14 0.00 -0.75 0.00 0.00 64.21 63.86 1vyn n SER 15 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 1vyn n LEU 16 N -3.44 1.45 -2.68 2.46 4.32 0.28 -4.98 117.00 114.41 1vyn n LEU 16 Ca -0.45 0.30 -0.20 0.00 -0.02 0.00 0.00 56.01 55.64 1vyn n LEU 16 Cb 0.93 -0.26 0.03 0.00 -1.62 0.00 0.00 43.42 42.50 1vyn n LEU 16 CO 0.19 0.57 -0.03 0.29 -1.22 0.00 0.00 177.39 177.19 1vyn n LYS 17 N -3.17 -4.15 0.00 3.23 5.02 0.48 -4.86 118.16 114.72 1vyn n LYS 17 Ca -0.24 0.84 0.00 0.00 -2.02 0.00 0.00 58.31 56.89 1vyn n LYS 17 Cb 1.06 -5.51 0.00 0.00 -0.02 0.00 0.00 35.03 30.56 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 -3.24 0.00 -2.56 7.82 0.00 -0.38 -4.98 120.51 117.17 1vyn n ALA 18 Ca -0.12 0.00 -0.31 0.00 0.00 0.00 0.00 53.44 53.02 1vyn n ALA 18 Cb 0.62 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.96 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 3.68 2.24 -0.08 0.00 2.47 -1.26 -4.62 119.74 122.17 1vyn s LYS 19 Ca 0.00 -0.93 -0.04 0.00 -1.56 0.00 0.00 55.97 53.44 1vyn s LYS 19 Cb 0.00 -2.34 -0.04 0.00 -1.46 0.00 0.00 37.83 33.99 1vyn s LYS 19 CO 0.00 0.54 0.08 0.42 0.16 0.00 0.00 175.35 176.55 1vyn s ILE 20 N -1.10 4.95 -0.06 5.43 -1.09 -1.26 -4.87 121.20 123.19 1vyn s ILE 20 Ca 0.19 -0.07 -0.30 0.00 -2.23 0.00 0.00 60.65 58.24 1vyn s ILE 20 Cb -0.11 -3.15 0.11 0.00 -1.58 0.00 0.00 42.46 37.73 1vyn s ILE 20 CO 0.11 0.56 1.35 0.21 -1.23 0.00 0.00 174.94 175.94 1vyn s ASN 21 N -1.13 -0.00 0.34 3.58 3.84 -1.26 -4.95 114.94 115.36 1vyn s ASN 21 Ca 0.16 -0.08 0.16 0.00 0.21 0.00 0.00 52.86 53.31 1vyn s ASN 21 Cb -0.12 0.06 0.58 0.00 -0.55 0.00 0.00 41.25 41.23 1vyn s ASN 21 CO 0.06 -0.12 1.70 0.78 -2.79 0.00 0.00 177.10 176.72 1vyn h ASN 22 N 2.00 0.00 0.81 -4.21 2.35 -1.98 -3.02 115.58 111.53 1vyn h ASN 22 Ca -0.24 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.51 1vyn h ASN 22 Cb 1.18 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.55 1vyn h ASN 22 CO 0.30 0.45 -0.04 1.07 -1.65 0.00 0.00 177.43 177.56 1vyn n THR 23 N -3.66 0.00 0.82 2.81 5.66 -1.26 -2.63 114.28 116.02 1vyn n THR 23 Ca -0.01 -0.00 0.10 0.00 -3.05 0.00 0.00 64.05 61.09 1vyn n THR 23 Cb 0.54 -0.42 0.29 0.00 -1.55 0.00 0.00 70.33 69.19 1vyn n THR 23 CO 0.00 0.00 0.00 0.35 -3.05 0.00 0.00 175.07 172.37 1vyn n THR 24 N -1.41 0.37 -3.21 1.09 -2.24 -1.14 -4.93 114.28 102.81 1vyn n THR 24 Ca 0.09 -0.52 -0.16 0.00 -2.27 0.00 0.00 64.05 61.20 1vyn n THR 24 Cb 0.31 0.56 0.06 0.00 -2.10 0.00 0.00 70.33 69.16 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 0.79 -3.76 0.23 3.42 5.03 -1.08 -4.90 115.26 114.99 1vyn n ASN 25 Ca 0.17 -0.43 0.06 0.00 0.87 0.00 0.00 54.58 55.25 1vyn n ASN 25 Cb 0.43 -3.94 0.54 0.00 -1.02 0.00 0.00 39.78 35.79 1vyn n ASN 25 CO 0.00 0.00 0.00 0.25 -1.83 0.00 0.00 177.26 175.68 1vyn h LEU 26 N -1.75 0.01 -0.46 3.41 5.85 -1.76 -2.07 115.31 118.53 1vyn h LEU 26 Ca -0.44 -0.00 -0.09 0.00 0.84 0.00 0.00 57.88 58.20 1vyn h LEU 26 Cb 1.27 -0.00 -0.02 0.00 0.37 0.00 0.00 40.66 42.28 1vyn h LEU 26 CO 0.40 0.13 -0.06 -2.24 -0.34 0.00 0.00 178.44 176.33 1vyn h ASP 27 N 0.01 0.85 0.02 1.25 2.03 -1.88 -0.20 116.42 118.50 1vyn h ASP 27 Ca 0.00 -0.34 -0.10 0.00 -0.73 0.00 0.00 57.03 55.86 1vyn h ASP 27 Cb 0.22 -0.23 -0.01 0.00 -0.83 0.00 0.00 39.33 38.47 1vyn h ASP 27 CO 0.02 0.99 -0.30 1.88 -1.03 0.00 0.00 179.24 180.80 1vyn h TYR 28 N 0.70 0.47 -0.58 4.15 0.05 -1.79 -2.54 116.97 117.44 1vyn h TYR 28 Ca 0.12 -0.11 -0.09 0.00 0.05 0.00 0.00 58.73 58.71 1vyn h TYR 28 Cb 0.59 -0.11 -0.02 0.00 1.01 0.00 0.00 36.73 38.19 1vyn h TYR 28 CO 0.04 0.67 0.01 0.77 -1.05 0.00 0.00 178.16 178.61 1vyn h SER 29 N 0.36 0.99 -0.96 3.88 0.02 -1.10 -3.08 113.55 113.66 1vyn h SER 29 Ca 0.05 -0.30 0.12 0.00 -0.84 0.00 0.00 61.79 60.82 1vyn h SER 29 Cb 0.71 -0.27 -0.08 0.00 0.14 0.00 0.00 62.40 62.90 1vyn h SER 29 CO 0.05 1.05 0.58 -0.09 -1.14 0.00 0.00 176.83 177.29 1vyn h ARG 30 N 0.90 0.89 -0.34 3.45 9.65 -0.61 0.36 114.38 128.69 1vyn h ARG 30 Ca 0.16 -0.05 -0.03 0.00 -1.10 0.00 0.00 59.98 58.96 1vyn h ARG 30 Cb 0.53 -0.20 -0.01 0.00 -1.39 0.00 0.00 29.97 28.90 1vyn h ARG 30 CO 0.03 0.59 0.11 -0.09 2.80 0.00 0.00 179.97 183.41 1vyn h ARG 31 N 0.92 0.52 -0.00 0.20 2.43 -1.44 -2.59 114.38 114.43 1vyn h ARG 31 Ca 0.48 -0.11 0.00 0.00 -0.81 0.00 0.00 59.98 59.54 1vyn h ARG 31 Cb 0.49 -0.08 0.00 0.00 -0.42 0.00 0.00 29.97 29.97 1vyn h ARG 31 CO -0.27 0.55 -0.15 1.97 -1.51 0.00 0.00 179.97 180.55 1vyn n PHE 32 N -4.66 0.00 1.01 2.20 1.16 -0.77 -2.88 117.46 113.51 1vyn n PHE 32 Ca -0.01 0.00 0.13 0.00 -1.87 0.00 0.00 57.45 55.69 1vyn n PHE 32 Cb 0.17 -0.31 0.35 0.00 -1.61 0.00 0.00 39.48 38.08 1vyn n PHE 32 CO 0.00 0.00 0.00 1.28 -1.87 0.00 0.00 176.76 176.17 1vyn n LEU 33 N -1.27 0.38 0.13 5.98 7.99 0.05 -4.34 117.00 125.92 1vyn n LEU 33 Ca 0.10 0.12 -0.13 0.00 -0.01 0.00 0.00 56.01 56.09 1vyn n LEU 33 Cb 0.31 -0.31 -0.07 0.00 -0.11 0.00 0.00 43.42 43.24 1vyn n LEU 33 CO 0.27 0.09 0.78 -0.08 -1.51 0.00 0.00 177.39 176.95 1vyn h GLU 34 N 0.02 -0.30 -0.04 3.23 4.22 -1.36 0.39 114.58 120.73 1vyn h GLU 34 Ca 0.00 0.02 0.01 0.00 0.08 0.00 0.00 59.36 59.47 1vyn h GLU 34 Cb 0.50 0.07 -0.00 0.00 0.50 0.00 0.00 28.75 29.81 1vyn h GLU 34 CO 0.00 -0.20 0.04 -1.35 -2.18 0.00 0.00 179.01 175.32 1vyn h PRO 35 N -0.31 0.00 0.16 0.92 0.11 -1.83 0.16 132.00 131.21 1vyn h PRO 35 Ca -0.01 0.00 -0.29 0.00 0.11 0.00 0.00 66.00 65.81 1vyn h PRO 35 Cb 0.27 0.00 0.01 0.00 0.11 0.00 0.00 31.00 31.39 1vyn h PRO 35 CO 0.00 0.00 -1.32 0.35 -0.21 0.00 0.00 178.00 176.82 1vyn h PHE 36 N 0.00 0.60 0.00 0.65 3.57 -1.61 -3.29 116.94 116.86 1vyn h PHE 36 Ca 0.02 -0.44 -0.07 0.00 3.53 0.00 0.00 57.97 61.01 1vyn h PHE 36 Cb 0.10 -0.02 -0.01 0.00 2.79 0.00 0.00 35.95 38.80 1vyn h PHE 36 CO 0.00 1.35 -0.53 -0.07 -2.23 0.00 0.00 178.31 176.84 1vyn h LEU 37 N 0.09 0.00 -8.44 0.59 4.07 -0.25 -3.44 115.31 107.93 1vyn h LEU 37 Ca -0.17 0.00 -0.39 0.00 0.08 0.00 0.00 57.88 57.40 1vyn h LEU 37 Cb 2.02 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 43.75 1vyn h LEU 37 CO 0.22 0.31 1.42 -1.14 -1.08 0.00 0.00 178.44 178.17 1vyn n ARG 38 N -3.09 0.74 0.00 1.13 0.63 0.48 -2.06 116.66 114.50 1vyn n ARG 38 Ca 0.01 -0.14 0.00 0.00 -0.92 0.00 0.00 57.85 56.80 1vyn n ARG 38 Cb 0.67 -3.06 0.00 0.00 0.45 0.00 0.00 32.46 30.52 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 6.20 0.99 3.66 5.14 0.00 0.59 -4.96 105.19 116.82 1vyn n GLY 39 Ca 0.45 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 46.17 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 -1.97 1.18 -0.03 -0.61 -4.36 -0.87 -4.95 121.20 109.58 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 -2.39 -0.00 0.00 1.25 0.00 0.00 42.46 41.32 1vyn s ILE 40 CO 0.00 0.00 -0.14 0.54 0.24 0.00 0.00 174.94 175.58 1vyn s ASN 41 N -3.76 1.82 0.04 4.36 2.20 -1.26 0.22 114.94 118.55 1vyn s ASN 41 Ca 0.17 -0.29 0.03 0.00 -0.94 0.00 0.00 52.86 51.83 1vyn s ASN 41 Cb 0.04 -0.44 -0.02 0.00 -2.00 0.00 0.00 41.25 38.83 1vyn s ASN 41 CO 0.09 0.14 -0.10 0.68 -2.94 0.00 0.00 177.10 174.96 1vyn s VAL 42 N 0.00 0.78 -0.46 3.54 -7.23 -0.32 -4.56 120.40 112.16 1vyn s VAL 42 Ca -0.02 -0.97 -0.22 0.00 -1.81 0.00 0.00 61.98 58.96 1vyn s VAL 42 Cb -0.10 -0.76 0.03 0.00 0.56 0.00 0.00 36.38 36.11 1vyn s VAL 42 CO 0.01 -0.17 0.73 -0.69 -0.31 0.00 0.00 175.10 174.67 1vyn s VAL 43 N -1.03 4.72 -0.30 1.32 1.01 0.98 -0.77 120.40 126.33 1vyn s VAL 43 Ca -0.04 0.23 -0.22 0.00 0.00 0.00 0.00 61.98 61.95 1vyn s VAL 43 Cb -0.08 -4.29 -0.01 0.00 0.00 0.00 0.00 36.38 32.00 1vyn s VAL 43 CO 0.01 -0.70 0.70 -0.47 0.00 0.00 0.00 175.10 174.63 1vyn s TYR 44 N 3.10 3.21 -0.48 5.22 5.04 0.11 -0.25 117.35 133.30 1vyn s TYR 44 Ca 0.26 0.70 -0.17 0.00 -2.44 0.00 0.00 57.07 55.42 1vyn s TYR 44 Cb -0.13 -3.08 0.06 0.00 0.35 0.00 0.00 41.96 39.16 1vyn s TYR 44 CO 0.20 -0.50 0.46 0.99 -1.34 0.00 0.00 175.55 175.36 1vyn s THR 45 N 2.75 5.12 0.24 4.34 2.01 0.47 -0.85 115.64 129.72 1vyn s THR 45 Ca 0.28 -0.85 -0.30 0.00 0.31 0.00 0.00 61.69 61.14 1vyn s THR 45 Cb -0.15 -4.17 -0.09 0.00 0.01 0.00 0.00 72.50 68.11 1vyn s THR 45 CO 0.12 -0.63 1.11 -2.84 -0.69 0.00 0.00 174.62 171.69 1vyn s PRO 46 N 1.96 4.61 0.58 4.92 0.02 -1.26 -4.84 135.00 141.00 1vyn s PRO 46 Ca 0.08 1.79 -0.20 0.00 0.02 0.00 0.00 61.00 62.68 1vyn s PRO 46 Cb -0.22 -3.22 -0.04 0.00 0.02 0.00 0.00 34.50 31.04 1vyn s PRO 46 CO 0.09 0.14 1.30 -2.30 -0.33 0.00 0.00 177.00 175.89 1vyn n PRO 47 N 1.71 1.44 0.23 5.54 -0.02 -1.26 -4.86 135.00 137.78 1vyn n PRO 47 Ca 0.01 0.54 0.17 0.00 -2.02 0.00 0.00 63.50 62.20 1vyn n PRO 47 Cb 0.45 -2.52 0.86 0.00 -0.02 0.00 0.00 33.50 32.27 1vyn n PRO 47 CO 0.00 0.00 0.00 1.96 1.98 0.00 0.00 175.50 179.44 1vyn h GLN 48 N 1.07 0.00 0.00 -0.52 1.08 -1.89 0.20 115.11 115.05 1vyn h GLN 48 Ca -0.51 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 56.69 1vyn h GLN 48 Cb 1.32 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.75 1vyn h GLN 48 CO 0.55 0.00 0.00 0.45 -0.95 0.00 0.00 178.83 178.88 1vyn n SER 49 N -3.73 0.05 0.02 1.46 2.88 -1.26 -2.63 113.62 110.41 1vyn n SER 49 Ca 0.01 0.51 -0.06 0.00 -1.33 0.00 0.00 58.87 58.00 1vyn n SER 49 Cb 0.29 -0.52 -0.11 0.00 -0.75 0.00 0.00 64.21 63.11 1vyn n SER 49 CO 0.00 0.00 0.00 -0.26 -1.23 0.00 0.00 175.04 173.55 1vyn h PHE 50 N 0.00 0.00 -3.48 0.66 0.04 -0.87 -3.49 116.94 109.81 1vyn h PHE 50 Ca 0.00 0.00 -0.20 0.00 2.80 0.00 0.00 57.97 60.57 1vyn h PHE 50 Cb 0.36 0.00 0.07 0.00 2.20 0.00 0.00 35.95 38.58 1vyn h PHE 50 CO 0.00 0.89 -0.35 1.04 -0.60 0.00 0.00 178.31 179.30 1vyn n GLN 51 N -3.11 -4.05 -4.49 1.51 6.02 -1.08 -5.03 117.38 107.16 1vyn n GLN 51 Ca -0.10 0.42 -0.20 0.00 -0.01 0.00 0.00 57.00 57.11 1vyn n GLN 51 Cb 0.97 -4.22 -0.15 0.00 1.02 0.00 0.00 30.24 27.86 1vyn n GLN 51 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.06 176.50 1vyn s SER 52 N -3.18 1.33 0.21 1.08 0.15 -1.26 -5.14 113.70 106.89 1vyn s SER 52 Ca 0.29 -0.21 -0.22 0.00 0.70 0.00 0.00 55.95 56.51 1vyn s SER 52 Cb -0.13 -0.15 -0.08 0.00 -1.71 0.00 0.00 66.02 63.95 1vyn s SER 52 CO 0.37 0.13 0.76 0.00 1.20 0.00 0.00 173.24 175.70 1vyn s ALA 53 N -0.29 3.41 -0.33 5.45 0.00 -1.26 -4.45 121.76 124.30 1vyn s ALA 53 Ca 0.04 0.26 -0.31 0.00 0.00 0.00 0.00 51.96 51.95 1vyn s ALA 53 Cb -0.04 -2.89 -0.13 0.00 0.00 0.00 0.00 23.12 20.05 1vyn s ALA 53 CO -0.00 0.30 1.06 -2.30 0.00 0.00 0.00 175.76 174.82 1vyn n PRO 54 N 1.02 0.00 -4.40 0.00 -0.02 -1.26 -4.87 135.00 125.47 1vyn n PRO 54 Ca -0.03 0.00 -0.34 0.00 -2.02 0.00 0.00 63.50 61.11 1vyn n PRO 54 Cb 0.50 -0.98 -0.11 0.00 -0.02 0.00 0.00 33.50 32.89 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 2.06 3.33 -0.41 -0.52 1.81 -0.03 -4.88 118.95 120.31 1vyn s ARG 55 Ca 0.69 -0.47 -0.24 0.00 -1.72 0.00 0.00 55.73 53.98 1vyn s ARG 55 Cb -0.98 -2.85 0.02 0.00 -0.45 0.00 0.00 34.95 30.69 1vyn s ARG 55 CO 0.53 0.46 0.85 0.54 -0.68 0.00 0.00 175.30 177.00 1vyn s VAL 56 N -0.22 4.61 -0.05 3.52 0.11 -1.26 0.04 120.40 127.14 1vyn s VAL 56 Ca 0.05 0.81 -0.00 0.00 -2.93 0.00 0.00 61.98 59.90 1vyn s VAL 56 Cb -0.13 -4.32 -0.03 0.00 -1.53 0.00 0.00 36.38 30.37 1vyn s VAL 56 CO 0.02 -0.63 0.00 -0.31 -3.33 0.00 0.00 175.10 170.85 1vyn s TYR 57 N 3.41 3.12 -0.37 1.54 2.02 0.05 -4.94 117.35 122.19 1vyn s TYR 57 Ca 0.34 0.15 -0.20 0.00 -0.37 0.00 0.00 57.07 56.98 1vyn s TYR 57 Cb -0.12 -1.74 0.01 0.00 -0.40 0.00 0.00 41.96 39.71 1vyn s TYR 57 CO 0.21 0.46 0.63 0.50 -1.57 0.00 0.00 175.55 175.79 1vyn s ARG 58 N -1.16 3.61 -0.27 -0.62 3.00 -1.26 -1.17 118.95 121.08 1vyn s ARG 58 Ca 0.16 -0.03 -0.29 0.00 -1.00 0.00 0.00 55.73 54.57 1vyn s ARG 58 Cb -0.11 -3.83 -0.02 0.00 0.00 0.00 0.00 34.95 30.99 1vyn s ARG 58 CO 0.06 -0.78 1.57 0.08 0.00 0.00 0.00 175.30 176.23 1vyn s VAL 59 N 2.71 3.75 0.08 7.11 1.01 0.13 -0.69 120.40 134.50 1vyn s VAL 59 Ca 0.24 0.83 0.11 0.00 0.00 0.00 0.00 61.98 63.16 1vyn s VAL 59 Cb -0.14 -3.82 -0.06 0.00 0.00 0.00 0.00 36.38 32.35 1vyn s VAL 59 CO 0.15 -0.39 1.43 -1.13 0.00 0.00 0.00 175.10 175.17 1vyn h ASN 60 N 10.81 0.00 0.00 3.32 -0.73 -1.27 0.17 115.58 127.88 1vyn h ASN 60 Ca -0.32 0.00 0.00 0.00 1.87 0.00 0.00 56.30 57.85 1vyn h ASN 60 Cb 1.14 0.00 0.00 0.00 0.27 0.00 0.00 38.32 39.73 1vyn h ASN 60 CO 1.02 0.73 0.00 0.61 -0.37 0.00 0.00 177.43 179.42 1vyn n GLY 61 N 1.00 -0.28 3.22 1.57 0.00 -0.67 -4.23 105.19 105.79 1vyn n GLY 61 Ca 0.00 -0.77 -0.16 0.00 0.00 0.00 0.00 46.02 45.09 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 2.42 -0.17 0.99 1.43 -1.26 -0.78 118.68 121.31 1vyn s LEU 62 Ca 0.00 -0.83 -0.18 0.00 -1.03 0.00 0.00 54.13 52.09 1vyn s LEU 62 Cb 0.00 -0.45 -0.04 0.00 0.03 0.00 0.00 46.19 45.74 1vyn s LEU 62 CO 0.00 -0.20 0.47 -0.55 0.23 0.00 0.00 176.35 176.30 1vyn s SER 63 N -2.53 6.56 0.10 2.29 0.15 0.18 -4.83 113.70 115.62 1vyn s SER 63 Ca 0.09 0.67 0.05 0.00 0.70 0.00 0.00 55.95 57.46 1vyn s SER 63 Cb -0.03 -2.27 0.28 0.00 -1.71 0.00 0.00 66.02 62.28 1vyn s SER 63 CO 0.02 -0.09 1.07 -2.11 1.20 0.00 0.00 173.24 173.33 1vyn n ARG 64 N 4.34 0.03 -4.03 5.44 1.85 -1.26 -3.27 116.66 119.77 1vyn n ARG 64 Ca -0.07 0.46 -0.35 0.00 -1.00 0.00 0.00 57.85 56.90 1vyn n ARG 64 Cb 0.51 -1.73 -0.10 0.00 -1.05 0.00 0.00 32.46 30.09 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 -2.99 3.33 0.59 2.89 0.00 -1.26 -5.00 121.76 119.32 1vyn s ALA 65 Ca -0.01 -0.80 -0.20 0.00 0.00 0.00 0.00 51.96 50.96 1vyn s ALA 65 Cb 0.01 -1.89 -0.03 0.00 0.00 0.00 0.00 23.12 21.21 1vyn s ALA 65 CO 0.05 0.11 1.33 -2.14 0.00 0.00 0.00 175.76 175.11 1vyn s PRO 66 N 0.50 2.88 0.66 0.00 0.02 -1.26 -3.28 135.00 134.53 1vyn s PRO 66 Ca 0.02 2.16 0.42 0.00 0.02 0.00 0.00 61.00 63.63 1vyn s PRO 66 Cb -0.13 -2.07 2.32 0.00 0.02 0.00 0.00 34.50 34.63 1vyn s PRO 66 CO 0.01 -1.37 2.32 0.00 -0.33 0.00 0.00 177.00 177.63 1vyn h ALA 67 N 1.05 1.08 0.00 -1.55 0.00 -1.04 0.88 119.26 119.69 1vyn h ALA 67 Ca -0.51 -0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.37 1vyn h ALA 67 Cb 1.32 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 19.10 1vyn h ALA 67 CO 0.55 -0.04 -0.13 0.66 0.00 0.00 0.00 179.25 180.30 1vyn h SER 68 N 0.00 0.00 0.00 0.00 4.64 -1.49 -1.29 113.55 115.41 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 0.08 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.17 1vyn h SER 68 CO -0.00 0.13 0.00 -0.24 -0.87 0.00 0.00 176.83 175.85 1vyn n SER 69 N -3.23 0.25 -4.71 4.97 2.88 0.09 -4.73 113.62 109.14 1vyn n SER 69 Ca 0.01 -0.58 -0.42 0.00 -1.33 0.00 0.00 58.87 56.55 1vyn n SER 69 Cb 0.42 0.44 -0.03 0.00 -0.75 0.00 0.00 64.21 64.29 1vyn n SER 69 CO 0.00 0.00 0.00 -0.70 -1.23 0.00 0.00 175.04 173.11 1vyn s GLU 70 N -0.44 4.49 0.04 -1.46 2.56 0.03 -4.97 118.70 118.95 1vyn s GLU 70 Ca 0.00 1.53 0.02 0.00 0.00 0.00 0.00 54.97 56.53 1vyn s GLU 70 Cb 0.00 -3.45 -0.04 0.00 2.00 0.00 0.00 34.13 32.64 1vyn s GLU 70 CO 0.00 -0.18 0.02 0.95 -0.56 0.00 0.00 175.26 175.49 1vyn s THR 71 N 1.28 4.23 0.12 -1.70 -4.23 -1.25 -2.68 115.64 111.40 1vyn s THR 71 Ca 0.54 -0.72 -0.13 0.00 -1.18 0.00 0.00 61.69 60.20 1vyn s THR 71 Cb -0.23 -2.95 0.02 0.00 1.34 0.00 0.00 72.50 70.67 1vyn s THR 71 CO 0.26 0.26 0.32 0.72 -0.54 0.00 0.00 174.62 175.64 1vyn s PHE 72 N -1.21 -0.01 -0.30 3.99 -0.71 -0.69 -4.92 117.98 114.14 1vyn s PHE 72 Ca 0.23 -0.36 -0.21 0.00 -1.04 0.00 0.00 56.93 55.55 1vyn s PHE 72 Cb -0.12 0.12 -0.01 0.00 -1.21 0.00 0.00 43.02 41.80 1vyn s PHE 72 CO 0.15 -0.66 0.67 -2.00 -1.34 0.00 0.00 175.22 172.04 1vyn s GLU 73 N -3.85 3.95 -0.25 1.99 -6.30 -1.26 -1.51 118.70 111.48 1vyn s GLU 73 Ca 0.05 0.41 -0.00 0.00 -2.50 0.00 0.00 54.97 52.93 1vyn s GLU 73 Cb 0.03 -3.72 0.07 0.00 0.00 0.00 0.00 34.13 30.52 1vyn s GLU 73 CO -0.10 -0.58 0.01 -1.58 0.02 0.00 0.00 175.26 173.04 1vyn s HIS 74 N 2.68 2.00 -1.21 5.30 2.46 0.27 -4.77 115.29 122.02 1vyn s HIS 74 Ca 0.27 -1.62 -0.03 0.00 0.47 0.00 0.00 55.06 54.14 1vyn s HIS 74 Cb -0.15 -1.58 0.00 0.00 -0.13 0.00 0.00 32.58 30.73 1vyn s HIS 74 CO 0.11 -0.77 0.46 -0.25 -2.47 0.00 0.00 174.74 171.82 1vyn n ASP 75 N 4.77 -5.11 0.00 9.88 8.00 -1.26 -2.03 116.55 130.80 1vyn n ASP 75 Ca -0.08 -0.22 0.00 0.00 0.71 0.00 0.00 54.79 55.21 1vyn n ASP 75 Cb 0.44 -3.96 0.00 0.00 -0.02 0.00 0.00 41.12 37.58 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 -1.35 0.77 3.31 0.44 0.00 -1.26 -5.03 105.19 102.08 1vyn n GLY 76 Ca -0.09 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.62 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 -0.25 2.12 -0.34 1.61 -0.14 -0.86 -5.09 119.74 116.78 1vyn s LYS 77 Ca 0.00 -0.93 -0.17 0.00 -1.36 0.00 0.00 55.97 53.51 1vyn s LYS 77 Cb 0.00 -2.05 -0.01 0.00 -1.68 0.00 0.00 37.83 34.10 1vyn s LYS 77 CO 0.00 0.56 0.46 0.15 -0.76 0.00 0.00 175.35 175.76 1vyn s LYS 78 N -0.61 3.62 0.47 1.68 1.02 -1.25 0.98 119.74 125.64 1vyn s LYS 78 Ca 0.10 -0.23 0.02 0.00 0.02 0.00 0.00 55.97 55.88 1vyn s LYS 78 Cb -0.10 -3.80 -0.02 0.00 -0.52 0.00 0.00 37.83 33.38 1vyn s LYS 78 CO -0.01 -0.59 0.03 0.14 -0.92 0.00 0.00 175.35 174.00 1vyn s VAL 79 N 2.26 1.13 -0.05 3.17 -7.23 -0.57 -4.83 120.40 114.28 1vyn s VAL 79 Ca 0.16 -2.00 -0.02 0.00 -1.81 0.00 0.00 61.98 58.32 1vyn s VAL 79 Cb -0.16 -2.32 -0.04 0.00 0.56 0.00 0.00 36.38 34.43 1vyn s VAL 79 CO 0.13 0.00 0.04 0.42 -0.31 0.00 0.00 175.10 175.38 1vyn s THR 80 N -2.95 4.54 0.48 5.32 -4.23 -1.26 -1.70 115.64 115.86 1vyn s THR 80 Ca 0.14 -0.29 0.15 0.00 -1.18 0.00 0.00 61.69 60.51 1vyn s THR 80 Cb 0.03 -2.98 0.23 0.00 1.34 0.00 0.00 72.50 71.12 1vyn s THR 80 CO 0.08 0.50 2.08 0.40 -0.54 0.00 0.00 174.62 177.14 1vyn h ILE 81 N 3.78 1.06 0.09 2.99 2.04 -1.25 0.14 117.51 126.37 1vyn h ILE 81 Ca -0.51 -0.26 -0.00 0.00 1.00 0.00 0.00 64.86 65.09 1vyn h ILE 81 Cb 1.19 1.11 0.00 0.00 -0.74 0.00 0.00 36.82 38.39 1vyn h ILE 81 CO 0.57 0.08 -0.05 0.00 0.00 0.00 0.00 178.15 178.76 1vyn h ALA 82 N 1.91 -0.13 0.00 1.87 0.00 -1.53 -0.96 119.26 120.42 1vyn h ALA 82 Ca 0.01 -0.12 -0.15 0.00 0.00 0.00 0.00 54.91 54.65 1vyn h ALA 82 Cb 0.13 0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 1vyn h ALA 82 CO 0.01 -0.46 -0.70 0.77 0.00 0.00 0.00 179.25 178.87 1vyn h SER 83 N -0.34 0.00 -0.15 0.00 0.02 -1.76 -1.55 113.55 109.76 1vyn h SER 83 Ca -0.01 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 60.94 1vyn h SER 83 Cb 0.29 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.82 1vyn h SER 83 CO 0.02 0.70 0.09 0.22 -1.14 0.00 0.00 176.83 176.71 1vyn h TYR 84 N 0.00 0.20 -0.05 3.45 3.20 -0.62 -0.52 116.97 122.62 1vyn h TYR 84 Ca -0.01 -0.00 -0.21 0.00 3.14 0.00 0.00 58.73 61.65 1vyn h TYR 84 Cb 1.25 -0.06 0.00 0.00 1.54 0.00 0.00 36.73 39.46 1vyn h TYR 84 CO 0.00 0.18 -0.84 0.74 -1.64 0.00 0.00 178.16 176.60 1vyn h PHE 85 N 0.16 0.68 -0.73 -3.82 0.04 -1.18 -2.72 116.94 109.37 1vyn h PHE 85 Ca 0.05 -0.33 0.03 0.00 2.80 0.00 0.00 57.97 60.52 1vyn h PHE 85 Cb 0.04 -0.09 -0.05 0.00 2.20 0.00 0.00 35.95 38.06 1vyn h PHE 85 CO -0.05 1.13 0.46 1.25 -0.60 0.00 0.00 178.31 180.50 1vyn h HIS 86 N 0.31 0.85 0.00 -0.55 2.76 -1.08 0.17 115.15 117.61 1vyn h HIS 86 Ca -0.06 0.02 -0.06 0.00 -2.20 0.00 0.00 60.37 58.08 1vyn h HIS 86 Cb 1.45 -0.28 -0.01 0.00 1.55 0.00 0.00 27.41 30.12 1vyn h HIS 86 CO 0.06 0.48 -0.28 0.77 -1.30 0.00 0.00 177.93 177.66 1vyn h SER 87 N 0.88 0.00 -0.29 3.26 0.02 -1.15 -3.03 113.55 113.24 1vyn h SER 87 Ca 0.29 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.24 1vyn h SER 87 Cb 0.03 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.57 1vyn h SER 87 CO -0.12 0.28 0.00 -1.14 -1.14 0.00 0.00 176.83 174.71 1vyn n ARG 88 N -3.24 2.50 -2.79 3.45 3.00 -0.35 -4.88 116.66 114.35 1vyn n ARG 88 Ca 0.02 -1.39 -0.09 0.00 -0.00 0.00 0.00 57.85 56.39 1vyn n ARG 88 Cb 0.57 -1.67 0.04 0.00 0.00 0.00 0.00 32.46 31.40 1vyn n ARG 88 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.63 175.92 1vyn n ASN 89 N 0.36 -2.87 -3.27 6.15 4.05 -0.85 -4.45 115.26 114.37 1vyn n ASN 89 Ca 0.12 -0.26 -0.11 0.00 0.45 0.00 0.00 54.58 54.78 1vyn n ASN 89 Cb 0.57 -2.56 -0.05 0.00 1.23 0.00 0.00 39.78 38.97 1vyn n ASN 89 CO 0.00 0.00 0.00 -0.47 -3.05 0.00 0.00 177.26 173.74 1vyn s TYR 90 N -3.15 -0.75 -0.04 1.20 5.04 0.45 -4.85 117.35 115.24 1vyn s TYR 90 Ca 0.12 -0.57 -0.30 0.00 -2.44 0.00 0.00 57.07 53.88 1vyn s TYR 90 Cb -0.05 -0.16 -0.06 0.00 0.35 0.00 0.00 41.96 42.04 1vyn s TYR 90 CO 0.33 -1.05 1.63 -1.25 -1.34 0.00 0.00 175.55 173.87 1vyn s PRO 91 N 1.43 4.19 0.15 4.97 0.04 -1.26 -3.17 135.00 141.35 1vyn s PRO 91 Ca 0.18 2.19 -0.31 0.00 0.04 0.00 0.00 61.00 63.11 1vyn s PRO 91 Cb -0.10 -3.91 -0.08 0.00 0.04 0.00 0.00 34.50 30.45 1vyn s PRO 91 CO -0.05 -0.81 1.30 -0.51 0.04 0.00 0.00 177.00 176.98 1vyn s LEU 92 N 3.75 4.40 0.24 -3.56 1.43 -1.26 -4.91 118.68 118.76 1vyn s LEU 92 Ca 0.73 2.29 0.06 0.00 -1.03 0.00 0.00 54.13 56.18 1vyn s LEU 92 Cb -0.34 -3.60 0.26 0.00 0.03 0.00 0.00 46.19 42.54 1vyn s LEU 92 CO 0.30 -0.54 1.56 0.11 0.23 0.00 0.00 176.35 178.00 1vyn h LYS 93 N 6.08 0.15 -2.02 1.70 1.79 -2.02 -3.36 116.57 118.89 1vyn h LYS 93 Ca -0.43 -0.11 -0.56 0.00 -2.18 0.00 0.00 60.65 57.36 1vyn h LYS 93 Cb 1.21 0.02 -0.39 0.00 -1.58 0.00 0.00 32.23 31.49 1vyn h LYS 93 CO 0.81 0.74 -1.07 1.19 -1.08 0.00 0.00 179.45 180.04 1vyn n PHE 94 N -3.82 -0.02 -0.08 -1.35 3.72 -1.26 -4.81 117.46 109.83 1vyn n PHE 94 Ca -0.02 -3.61 0.25 0.00 -0.05 0.00 0.00 57.45 54.02 1vyn n PHE 94 Cb 0.64 -0.37 0.72 0.00 -0.94 0.00 0.00 39.48 39.53 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 4.00 0.00 -0.62 -1.08 0.11 -1.99 -1.55 132.00 130.88 1vyn h PRO 95 Ca 0.08 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.19 1vyn h PRO 95 Cb 0.86 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.97 1vyn h PRO 95 CO 0.49 0.00 0.00 1.04 -0.21 0.00 0.00 178.00 179.32 1vyn n GLN 96 N -4.07 2.49 -2.73 1.05 6.02 -1.26 -1.34 117.38 117.53 1vyn n GLN 96 Ca 0.15 -1.47 -0.35 0.00 -0.01 0.00 0.00 57.00 55.32 1vyn n GLN 96 Cb 0.85 -1.63 -0.06 0.00 1.02 0.00 0.00 30.24 30.41 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 -1.22 4.05 0.15 1.08 0.05 -0.59 -4.71 118.68 117.49 1vyn s LEU 97 Ca 0.26 1.81 -0.31 0.00 0.05 0.00 0.00 54.13 55.93 1vyn s LEU 97 Cb 0.17 -4.37 -0.10 0.00 -2.05 0.00 0.00 46.19 39.84 1vyn s LEU 97 CO 0.12 -0.37 1.64 -1.00 -0.55 0.00 0.00 176.35 176.19 1vyn s HIS 98 N -1.95 2.80 0.11 3.48 3.76 -1.26 -1.21 115.29 121.02 1vyn s HIS 98 Ca 0.59 0.44 -0.31 0.00 -0.15 0.00 0.00 55.06 55.63 1vyn s HIS 98 Cb -0.14 -4.00 -0.11 0.00 1.11 0.00 0.00 32.58 29.45 1vyn s HIS 98 CO 0.18 -3.81 1.84 0.00 -0.85 0.00 0.00 174.74 172.10 1vyn s LEU 100 N 2.84 4.35 -0.37 0.00 2.96 0.13 0.48 118.68 129.06 1vyn s LEU 100 Ca 0.83 2.36 -0.03 0.00 -0.22 0.00 0.00 54.13 57.06 1vyn s LEU 100 Cb -0.49 -3.57 0.09 0.00 0.50 0.00 0.00 46.19 42.72 1vyn s LEU 100 CO 0.38 -0.81 0.14 0.21 -1.32 0.00 0.00 176.35 174.95 1vyn s ASN 101 N 2.07 5.16 0.33 3.68 2.47 0.04 -1.10 114.94 127.59 1vyn s ASN 101 Ca 0.70 -1.74 0.09 0.00 0.42 0.00 0.00 52.86 52.33 1vyn s ASN 101 Cb -0.37 -1.80 -0.05 0.00 -1.45 0.00 0.00 41.25 37.58 1vyn s ASN 101 CO 0.30 -0.45 0.03 0.68 -3.72 0.00 0.00 177.10 173.94 1vyn s VAL 102 N 1.19 2.82 0.00 -5.21 -7.23 0.18 -0.86 120.40 111.30 1vyn s VAL 102 Ca 0.04 -1.93 0.00 0.00 -1.81 0.00 0.00 61.98 58.28 1vyn s VAL 102 Cb -0.22 -2.82 0.00 0.00 0.56 0.00 0.00 36.38 33.91 1vyn s VAL 102 CO -0.03 -0.23 0.00 0.61 -0.31 0.00 0.00 175.10 175.14 1vyn n GLY 103 N -0.97 0.88 3.26 2.32 0.00 0.13 -0.49 105.19 110.32 1vyn n GLY 103 Ca -0.04 -1.08 -0.16 0.00 0.00 0.00 0.00 46.02 44.74 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 1.00 0.17 1.61 0.15 0.14 -4.70 113.70 108.08 1vyn s SER 104 Ca 0.00 -1.59 -0.04 0.00 0.70 0.00 0.00 55.95 55.02 1vyn s SER 104 Cb 0.00 0.49 0.06 0.00 -1.71 0.00 0.00 66.02 64.86 1vyn s SER 104 CO 0.00 -0.98 1.47 0.28 1.20 0.00 0.00 173.24 175.21 1vyn h SER 105 N 2.34 0.66 0.22 5.45 0.02 -2.01 -3.14 113.55 117.08 1vyn h SER 105 Ca -0.30 -0.37 -0.20 0.00 -0.84 0.00 0.00 61.79 60.08 1vyn h SER 105 Cb 1.24 -0.19 -0.00 0.00 0.14 0.00 0.00 62.40 63.59 1vyn h SER 105 CO 0.43 1.11 -0.79 0.16 -1.14 0.00 0.00 176.83 176.60 1vyn h ILE 106 N 0.44 1.37 -3.48 3.27 3.07 -2.01 -3.39 117.51 116.77 1vyn h ILE 106 Ca -0.00 -2.19 -0.60 0.00 1.55 0.00 0.00 64.86 63.62 1vyn h ILE 106 Cb 1.16 2.17 -0.39 0.00 -0.27 0.00 0.00 36.82 39.49 1vyn h ILE 106 CO 0.11 0.66 -0.77 -0.54 -1.05 0.00 0.00 178.15 176.57 1vyn s LYS 107 N -3.55 1.26 -0.22 0.16 -0.14 -1.22 -5.11 119.74 110.91 1vyn s LYS 107 Ca -0.06 -1.04 -0.07 0.00 -1.36 0.00 0.00 55.97 53.43 1vyn s LYS 107 Cb 0.10 -2.46 -0.03 0.00 -1.68 0.00 0.00 37.83 33.75 1vyn s LYS 107 CO 0.86 -0.74 0.07 -1.54 -0.76 0.00 0.00 175.35 173.23 1vyn s SER 108 N 1.45 5.34 -0.26 2.83 1.04 -1.19 -0.68 113.70 122.24 1vyn s SER 108 Ca 0.01 -0.08 -0.10 0.00 0.48 0.00 0.00 55.95 56.26 1vyn s SER 108 Cb -0.18 -1.94 -0.04 0.00 0.10 0.00 0.00 66.02 63.95 1vyn s SER 108 CO -0.11 0.06 0.14 -0.63 0.98 0.00 0.00 173.24 173.68 1vyn s ILE 109 N 1.08 5.00 -0.23 -1.02 1.01 0.36 -4.95 121.20 122.46 1vyn s ILE 109 Ca 0.04 0.06 -0.05 0.00 0.00 0.00 0.00 60.65 60.70 1vyn s ILE 109 Cb -0.14 -3.35 -0.02 0.00 0.01 0.00 0.00 42.46 38.96 1vyn s ILE 109 CO 0.03 0.31 0.00 -0.76 0.00 0.00 0.00 174.94 174.53 1vyn s LEU 110 N 1.47 3.15 0.13 2.97 1.43 -1.25 -0.64 118.68 125.94 1vyn s LEU 110 Ca 0.07 -0.29 -0.06 0.00 -1.03 0.00 0.00 54.13 52.82 1vyn s LEU 110 Cb -0.15 -1.82 -0.02 0.00 0.03 0.00 0.00 46.19 44.23 1vyn s LEU 110 CO 0.07 -0.01 0.17 -1.48 0.23 0.00 0.00 176.35 175.33 1vyn s LEU 111 N 1.43 1.44 0.13 1.79 2.34 -0.25 -4.93 118.68 120.62 1vyn s LEU 111 Ca 0.05 -0.92 -0.23 0.00 0.06 0.00 0.00 54.13 53.09 1vyn s LEU 111 Cb -0.15 0.82 -0.07 0.00 -0.56 0.00 0.00 46.19 46.23 1vyn s LEU 111 CO 0.00 -0.78 0.70 -2.16 -1.06 0.00 0.00 176.35 173.05 1vyn s PRO 112 N -3.96 4.44 0.05 1.48 0.04 -1.26 0.18 135.00 135.98 1vyn s PRO 112 Ca 0.15 1.01 0.12 0.00 0.04 0.00 0.00 61.00 62.31 1vyn s PRO 112 Cb 0.05 -3.26 0.52 0.00 0.04 0.00 0.00 34.50 31.85 1vyn s PRO 112 CO -0.03 0.58 1.37 1.51 0.04 0.00 0.00 177.00 180.47 1vyn n ILE 113 N 1.70 1.27 0.27 0.56 0.13 -1.26 -1.52 119.36 120.51 1vyn n ILE 113 Ca -0.07 0.35 0.13 0.00 -1.10 0.00 0.00 62.75 62.06 1vyn n ILE 113 Cb 0.49 -1.22 0.78 0.00 -0.84 0.00 0.00 39.64 38.86 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 0.00 -0.63 9.51 4.57 -1.97 -2.00 114.58 124.07 1vyn h GLU 114 Ca 0.00 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 1vyn h GLU 114 Cb 0.17 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.76 1vyn h GLU 114 CO 0.00 0.08 0.00 1.28 -1.18 0.00 0.00 179.01 179.19 1vyn n LEU 115 N -3.79 5.15 -4.20 1.64 4.77 -0.58 -4.86 117.00 115.14 1vyn n LEU 115 Ca -0.02 -2.61 -0.26 0.00 -0.03 0.00 0.00 56.01 53.08 1vyn n LEU 115 Cb 0.18 -0.65 -0.16 0.00 -2.33 0.00 0.00 43.42 40.47 1vyn n LEU 115 CO 0.30 0.64 -0.52 0.00 -1.33 0.00 0.00 177.39 176.48 1vyn s SER 117 N -0.43 3.28 -0.08 0.00 0.01 0.65 -0.98 113.70 116.15 1vyn s SER 117 Ca 0.07 -0.46 -0.11 0.00 1.31 0.00 0.00 55.95 56.76 1vyn s SER 117 Cb -0.08 -0.42 -0.05 0.00 0.21 0.00 0.00 66.02 65.68 1vyn s SER 117 CO -0.01 0.30 0.27 -0.51 0.41 0.00 0.00 173.24 173.70 1vyn s ILE 118 N -0.70 5.29 -0.03 1.44 2.07 0.12 -0.02 121.20 129.38 1vyn s ILE 118 Ca 0.11 0.50 -0.29 0.00 -1.41 0.00 0.00 60.65 59.56 1vyn s ILE 118 Cb -0.10 -3.55 -0.03 0.00 0.13 0.00 0.00 42.46 38.91 1vyn s ILE 118 CO 0.00 0.57 0.96 -0.70 -1.91 0.00 0.00 174.94 173.87 1vyn s GLU 119 N -0.85 4.52 0.00 3.50 2.12 -1.26 -1.57 118.70 125.16 1vyn s GLU 119 Ca 0.19 1.36 0.16 0.00 0.36 0.00 0.00 54.97 57.03 1vyn s GLU 119 Cb -0.14 -3.48 0.93 0.00 0.26 0.00 0.00 34.13 31.70 1vyn s GLU 119 CO 0.08 -0.10 1.34 -0.85 -0.54 0.00 0.00 175.26 175.19