#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1vyg n SER 0 N 0.00 -4.28 -0.65 1.61 2.88 -1.26 -3.81 113.62 108.11 1vyg n SER 0 Ca 0.00 0.20 -0.01 0.00 -1.33 0.00 0.00 58.87 57.73 1vyg n SER 0 Cb 0.00 -1.06 0.00 0.00 -0.75 0.00 0.00 64.21 62.40 1vyg n SER 0 CO 0.00 0.00 0.00 0.23 -1.23 0.00 0.00 175.04 174.04 1vyg n MET 1 N 0.82 -0.25 0.01 -1.46 0.00 -1.25 -4.95 117.12 110.03 1vyg n MET 1 Ca -0.01 0.03 -0.06 0.00 0.00 0.00 0.00 57.70 57.65 1vyg n MET 1 Cb 0.36 -2.61 0.12 0.00 0.00 0.00 0.00 33.22 31.10 1vyg n MET 1 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 175.97 176.74 1vyg h SER 2 N -0.08 0.55 0.65 7.83 0.02 -1.75 -2.47 113.55 118.29 1vyg h SER 2 Ca -0.02 -0.24 -0.08 0.00 -0.84 0.00 0.00 61.79 60.62 1vyg h SER 2 Cb 1.01 -0.15 -0.01 0.00 0.14 0.00 0.00 62.40 63.39 1vyg h SER 2 CO 0.02 0.89 -0.36 0.77 -1.14 0.00 0.00 176.83 177.00 1vyg h SER 3 N 0.43 0.00 1.25 3.07 4.64 -1.94 -3.06 113.55 117.94 1vyg h SER 3 Ca 0.04 0.00 -0.08 0.00 -0.47 0.00 0.00 61.79 61.28 1vyg h SER 3 Cb 0.89 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.96 1vyg h SER 3 CO 0.08 0.36 -0.38 -0.26 -0.87 0.00 0.00 176.83 175.76 1vyg h PHE 4 N 0.00 0.00 -4.06 4.77 -1.00 -1.73 -3.46 116.94 111.46 1vyg h PHE 4 Ca -0.00 0.00 -0.55 0.00 2.81 0.00 0.00 57.97 60.23 1vyg h PHE 4 Cb 0.79 0.00 0.14 0.00 3.61 0.00 0.00 35.95 40.48 1vyg h PHE 4 CO 0.00 0.38 0.58 -0.51 -1.61 0.00 0.00 178.31 177.15 1vyg s LEU 5 N -6.64 3.81 0.00 1.54 1.02 -1.15 -4.22 118.68 113.04 1vyg s LEU 5 Ca 0.03 2.71 0.00 0.00 0.02 0.00 0.00 54.13 56.89 1vyg s LEU 5 Cb 0.09 -4.34 0.00 0.00 0.02 0.00 0.00 46.19 41.96 1vyg s LEU 5 CO 0.70 -1.61 0.00 0.61 0.02 0.00 0.00 176.35 176.07 1vyg n GLY 6 N 0.73 -1.39 3.72 -3.19 0.00 -0.99 -4.90 105.19 99.17 1vyg n GLY 6 Ca 0.11 -2.09 -0.23 0.00 0.00 0.00 0.00 46.02 43.82 1vyg n GLY 6 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1vyg s LYS 7 N 0.00 2.47 -0.20 1.61 1.02 -1.26 -1.29 119.74 122.09 1vyg s LYS 7 Ca 0.00 -1.38 -0.13 0.00 0.02 0.00 0.00 55.97 54.48 1vyg s LYS 7 Cb 0.00 -2.27 0.06 0.00 -0.52 0.00 0.00 37.83 35.11 1vyg s LYS 7 CO 0.00 0.27 0.51 -1.58 -0.92 0.00 0.00 175.35 173.63 1vyg s TRP 8 N -2.32 -0.71 -0.07 3.18 0.52 -0.04 -1.70 118.94 117.80 1vyg s TRP 8 Ca 0.34 1.52 0.03 0.00 0.02 0.00 0.00 56.10 58.01 1vyg s TRP 8 Cb -0.05 0.34 -0.02 0.00 -1.15 0.00 0.00 33.47 32.59 1vyg s TRP 8 CO 0.22 -0.37 -0.15 0.21 0.02 0.00 0.00 176.95 176.88 1vyg s LYS 9 N 1.19 2.76 0.32 4.98 2.47 -0.38 -0.63 119.74 130.44 1vyg s LYS 9 Ca -0.07 -0.72 -0.29 0.00 -1.56 0.00 0.00 55.97 53.32 1vyg s LYS 9 Cb -0.06 -2.42 -0.12 0.00 -1.46 0.00 0.00 37.83 33.77 1vyg s LYS 9 CO -0.11 0.48 1.53 -0.11 0.16 0.00 0.00 175.35 177.30 1vyg n LEU 10 N 2.74 4.35 0.00 5.43 7.94 -0.42 -0.52 117.00 136.51 1vyg n LEU 10 Ca -0.17 1.17 0.00 0.00 -1.11 0.00 0.00 56.01 55.90 1vyg n LEU 10 Cb 0.52 -1.58 0.00 0.00 0.53 0.00 0.00 43.42 42.89 1vyg n LEU 10 CO 0.27 0.07 -0.41 -1.54 -1.11 0.00 0.00 177.39 174.67 1vyg n SER 11 N 1.58 3.41 -3.94 1.96 3.41 -0.10 -4.80 113.62 115.13 1vyg n SER 11 Ca 0.06 0.00 -0.10 0.00 -0.26 0.00 0.00 58.87 58.57 1vyg n SER 11 Cb 0.37 0.07 -0.12 0.00 -0.26 0.00 0.00 64.21 64.27 1vyg n SER 11 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 1vyg s GLU 12 N -1.82 0.26 -0.06 4.33 2.02 -1.11 -5.01 118.70 117.31 1vyg s GLU 12 Ca 0.00 -0.42 -0.00 0.00 0.02 0.00 0.00 54.97 54.57 1vyg s GLU 12 Cb 0.00 0.10 0.03 0.00 0.10 0.00 0.00 34.13 34.35 1vyg s GLU 12 CO 0.00 -0.05 -0.01 0.45 0.02 0.00 0.00 175.26 175.67 1vyg s SER 13 N -1.07 1.18 -0.13 -0.19 0.15 -1.26 -0.44 113.70 111.94 1vyg s SER 13 Ca -0.12 -0.09 0.02 0.00 0.70 0.00 0.00 55.95 56.46 1vyg s SER 13 Cb -0.07 -0.41 0.01 0.00 -1.71 0.00 0.00 66.02 63.85 1vyg s SER 13 CO -0.00 -0.13 -0.18 -1.00 1.20 0.00 0.00 173.24 173.13 1vyg s HIS 14 N 1.45 2.28 -0.66 3.44 3.76 0.21 -4.76 115.29 121.01 1vyg s HIS 14 Ca -0.03 -1.14 -0.00 0.00 -0.15 0.00 0.00 55.06 53.74 1vyg s HIS 14 Cb -0.13 -1.60 0.00 0.00 1.11 0.00 0.00 32.58 31.95 1vyg s HIS 14 CO -0.03 -0.56 0.01 -1.71 -0.85 0.00 0.00 174.74 171.60 1vyg n ASN 15 N 4.23 -2.85 0.08 1.40 4.05 -1.26 -1.40 115.26 119.50 1vyg n ASN 15 Ca -0.19 -0.01 -0.04 0.00 0.45 0.00 0.00 54.58 54.78 1vyg n ASN 15 Cb 0.51 -2.15 -0.08 0.00 1.23 0.00 0.00 39.78 39.29 1vyg n ASN 15 CO 0.00 0.00 0.00 0.15 -3.05 0.00 0.00 177.26 174.36 1vyg h PHE 16 N -0.01 0.00 -0.04 1.20 -0.00 -1.88 -3.14 116.94 113.07 1vyg h PHE 16 Ca -0.19 0.00 -0.07 0.00 -0.00 0.00 0.00 57.97 57.72 1vyg h PHE 16 Cb 1.14 0.00 -0.01 0.00 -0.00 0.00 0.00 35.95 37.08 1vyg h PHE 16 CO 0.21 0.87 -0.28 0.22 -0.00 0.00 0.00 178.31 179.32 1vyg h ASP 17 N 0.00 0.06 -0.36 0.41 1.82 -1.95 -2.84 116.42 113.57 1vyg h ASP 17 Ca -0.01 -0.02 -0.01 0.00 -0.39 0.00 0.00 57.03 56.60 1vyg h ASP 17 Cb 1.66 -0.02 -0.02 0.00 0.68 0.00 0.00 39.33 41.63 1vyg h ASP 17 CO 0.11 0.35 0.18 0.00 -1.61 0.00 0.00 179.24 178.27 1vyg h ALA 18 N 1.66 0.47 -0.13 -0.78 0.00 -1.95 -1.30 119.26 117.22 1vyg h ALA 18 Ca 0.01 -0.10 -0.14 0.00 0.00 0.00 0.00 54.91 54.67 1vyg h ALA 18 Cb 0.53 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 1vyg h ALA 18 CO 0.04 0.02 -0.54 -0.39 0.00 0.00 0.00 179.25 178.38 1vyg h VAL 19 N 0.45 1.34 -0.02 0.00 -1.51 -1.57 -2.70 116.25 112.25 1vyg h VAL 19 Ca 0.12 -1.81 0.00 0.00 -1.23 0.00 0.00 66.70 63.79 1vyg h VAL 19 Cb 0.11 1.83 0.00 0.00 -2.13 0.00 0.00 31.29 31.10 1vyg h VAL 19 CO -0.02 0.55 -0.25 1.15 -1.23 0.00 0.00 177.57 177.77 1vyg n MET 20 N -3.94 1.58 -0.10 5.19 0.00 -1.14 -1.91 117.12 116.80 1vyg n MET 20 Ca -0.02 -1.05 -0.13 0.00 0.00 0.00 0.00 57.70 56.49 1vyg n MET 20 Cb 0.58 -1.31 -0.04 0.00 0.00 0.00 0.00 33.22 32.45 1vyg n MET 20 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 175.97 176.74 1vyg h SER 21 N 2.36 0.85 0.56 3.17 0.02 -1.24 -1.96 113.55 117.31 1vyg h SER 21 Ca 0.00 -0.47 -0.04 0.00 -0.84 0.00 0.00 61.79 60.43 1vyg h SER 21 Cb 0.62 -0.24 -0.01 0.00 0.14 0.00 0.00 62.40 62.92 1vyg h SER 21 CO 0.00 1.15 -0.21 0.50 -1.14 0.00 0.00 176.83 177.13 1vyg h LYS 22 N 0.57 0.00 0.00 3.45 3.64 -1.41 -1.20 116.57 121.61 1vyg h LYS 22 Ca 0.05 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.43 1vyg h LYS 22 Cb 0.91 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.73 1vyg h LYS 22 CO 0.08 0.21 0.00 1.28 -2.27 0.00 0.00 179.45 178.75 1vyg n LEU 23 N -3.62 0.00 -0.05 5.20 4.77 -0.80 -4.91 117.00 117.59 1vyg n LEU 23 Ca -0.01 0.20 -0.01 0.00 -0.03 0.00 0.00 56.01 56.16 1vyg n LEU 23 Cb 0.34 -0.20 -0.00 0.00 -2.33 0.00 0.00 43.42 41.23 1vyg n LEU 23 CO 0.33 -0.00 -0.01 0.61 -1.33 0.00 0.00 177.39 176.99 1vyg n GLY 24 N 1.18 0.37 3.59 -0.72 0.00 -0.45 -4.97 105.19 104.19 1vyg n GLY 24 Ca 0.17 -0.06 -0.46 0.00 0.00 0.00 0.00 46.02 45.67 1vyg n GLY 24 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1vyg n VAL 25 N -2.63 1.54 -0.65 1.61 0.31 -0.74 -4.87 118.33 112.89 1vyg n VAL 25 Ca -0.01 -0.38 -0.29 0.00 -0.01 0.00 0.00 64.34 63.65 1vyg n VAL 25 Cb 0.20 -0.96 0.22 0.00 -0.91 0.00 0.00 33.84 32.38 1vyg n VAL 25 CO 0.00 0.00 0.00 -0.94 -1.32 0.00 0.00 176.83 174.57 1vyg s SER 26 N -0.31 1.79 0.15 4.52 1.04 -1.26 -4.71 113.70 114.92 1vyg s SER 26 Ca 0.64 1.73 -0.16 0.00 0.48 0.00 0.00 55.95 58.64 1vyg s SER 26 Cb -0.75 -2.38 0.06 0.00 0.10 0.00 0.00 66.02 63.05 1vyg s SER 26 CO 0.56 -3.73 1.75 -0.25 0.98 0.00 0.00 173.24 172.56 1vyg h TRP 27 N -2.30 0.22 -0.62 5.02 2.91 -1.98 -1.56 115.95 117.64 1vyg h TRP 27 Ca -0.55 0.02 -0.09 0.00 1.13 0.00 0.00 58.89 59.40 1vyg h TRP 27 Cb 1.31 -0.05 -0.02 0.00 -0.51 0.00 0.00 29.16 29.89 1vyg h TRP 27 CO 0.35 0.09 0.05 0.00 -1.03 0.00 0.00 178.44 177.90 1vyg h ALA 28 N 1.23 0.84 -0.00 2.65 0.00 -2.00 -1.47 119.26 120.50 1vyg h ALA 28 Ca 0.16 -0.29 -0.21 0.00 0.00 0.00 0.00 54.91 54.57 1vyg h ALA 28 Cb 0.14 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 17.69 1vyg h ALA 28 CO -0.17 0.64 -0.89 1.15 0.00 0.00 0.00 179.25 179.98 1vyg h THR 29 N 0.98 1.44 -0.84 0.00 2.02 -1.90 -2.82 112.91 111.78 1vyg h THR 29 Ca 0.18 -2.50 0.03 0.00 0.77 0.00 0.00 66.41 64.89 1vyg h THR 29 Cb 0.51 2.42 -0.05 0.00 -1.74 0.00 0.00 68.15 69.28 1vyg h THR 29 CO 0.02 0.74 0.54 0.03 0.37 0.00 0.00 175.52 177.22 1vyg h ARG 30 N 0.17 1.02 -0.16 6.66 3.08 -1.07 0.63 114.38 124.71 1vyg h ARG 30 Ca -0.06 -0.06 -0.01 0.00 0.07 0.00 0.00 59.98 59.92 1vyg h ARG 30 Cb 1.52 -0.23 -0.01 0.00 0.08 0.00 0.00 29.97 31.33 1vyg h ARG 30 CO 0.15 0.67 0.07 1.96 -1.07 0.00 0.00 179.97 181.75 1vyg h GLN 31 N 1.05 0.23 -0.98 0.04 1.08 -1.15 -0.35 115.11 115.04 1vyg h GLN 31 Ca 0.34 -0.04 0.07 0.00 -1.45 0.00 0.00 58.65 57.57 1vyg h GLN 31 Cb 0.02 -0.04 -0.07 0.00 -0.05 0.00 0.00 27.48 27.34 1vyg h GLN 31 CO -0.12 0.31 0.63 0.82 -0.95 0.00 0.00 178.83 179.52 1vyg h ILE 32 N 0.11 1.06 -0.84 2.54 1.08 -1.28 -1.72 117.51 118.45 1vyg h ILE 32 Ca 0.05 -0.38 0.05 0.00 -0.39 0.00 0.00 64.86 64.19 1vyg h ILE 32 Cb 0.16 -0.16 -0.05 0.00 -3.07 0.00 0.00 36.82 33.70 1vyg h ILE 32 CO -0.00 0.20 0.55 1.23 -0.69 0.00 0.00 178.15 179.44 1vyg h GLY 33 N 1.12 1.19 2.00 5.37 0.00 0.04 -1.76 103.07 111.01 1vyg h GLY 33 Ca 0.43 -0.39 0.00 0.00 0.00 0.00 0.00 47.33 47.37 1vyg h GLY 33 CO -0.19 0.32 -0.00 0.70 0.00 0.00 0.00 176.54 177.37 1vyg n ASN 34 N -4.46 0.54 -0.12 0.19 3.02 -0.23 -4.23 115.26 109.97 1vyg n ASN 34 Ca 0.12 0.55 -0.21 0.00 -0.03 0.00 0.00 54.58 55.01 1vyg n ASN 34 Cb 0.16 -0.69 -0.07 0.00 -0.61 0.00 0.00 39.78 38.56 1vyg n ASN 34 CO 0.00 0.00 0.00 0.35 -2.62 0.00 0.00 177.26 174.99 1vyg n THR 35 N -2.01 1.52 -1.97 3.41 -2.24 -0.85 -5.04 114.28 107.10 1vyg n THR 35 Ca 0.06 -0.16 -0.34 0.00 -2.27 0.00 0.00 64.05 61.34 1vyg n THR 35 Cb 0.40 -2.08 0.03 0.00 -2.10 0.00 0.00 70.33 66.58 1vyg n THR 35 CO 0.00 0.00 0.00 0.68 -0.57 0.00 0.00 175.07 175.18 1vyg s VAL 36 N -2.66 3.10 -0.47 2.28 -7.23 -0.70 -5.00 120.40 109.72 1vyg s VAL 36 Ca -0.34 0.60 0.04 0.00 -1.81 0.00 0.00 61.98 60.47 1vyg s VAL 36 Cb 0.10 -3.16 0.12 0.00 0.56 0.00 0.00 36.38 34.00 1vyg s VAL 36 CO 0.46 -0.23 0.21 0.42 -0.31 0.00 0.00 175.10 175.65 1vyg s THR 37 N -2.02 2.42 0.87 5.32 -4.23 -1.26 -4.95 115.64 111.79 1vyg s THR 37 Ca 0.71 -3.04 -0.11 0.00 -1.18 0.00 0.00 61.69 58.06 1vyg s THR 37 Cb -0.23 -2.71 0.11 0.00 1.34 0.00 0.00 72.50 71.01 1vyg s THR 37 CO 0.35 -0.76 1.10 -2.84 -0.54 0.00 0.00 174.62 171.92 1vyg s PRO 38 N 0.02 1.48 -0.23 3.99 0.02 -1.26 -4.63 135.00 134.39 1vyg s PRO 38 Ca 0.16 1.11 0.02 0.00 0.02 0.00 0.00 61.00 62.31 1vyg s PRO 38 Cb -0.24 -1.81 0.05 0.00 0.02 0.00 0.00 34.50 32.52 1vyg s PRO 38 CO -0.02 -2.17 -0.10 0.99 -0.33 0.00 0.00 177.00 175.37 1vyg s THR 39 N -2.83 1.88 -0.06 0.99 2.01 -0.31 -1.30 115.64 116.01 1vyg s THR 39 Ca 0.63 -1.33 -0.04 0.00 0.31 0.00 0.00 61.69 61.26 1vyg s THR 39 Cb -0.19 -2.00 -0.04 0.00 0.01 0.00 0.00 72.50 70.28 1vyg s THR 39 CO 0.57 0.04 0.12 0.68 -0.69 0.00 0.00 174.62 175.35 1vyg s VAL 40 N 1.26 5.20 -0.06 3.82 -7.23 0.19 -1.16 120.40 122.42 1vyg s VAL 40 Ca -0.05 -0.06 0.05 0.00 -1.81 0.00 0.00 61.98 60.11 1vyg s VAL 40 Cb -0.18 -3.32 -0.01 0.00 0.56 0.00 0.00 36.38 33.43 1vyg s VAL 40 CO -0.07 0.49 -0.22 -0.89 -0.31 0.00 0.00 175.10 174.10 1vyg s THR 41 N -1.12 1.82 0.03 5.32 2.01 0.21 -0.86 115.64 123.05 1vyg s THR 41 Ca 0.20 -0.93 0.05 0.00 0.31 0.00 0.00 61.69 61.31 1vyg s THR 41 Cb -0.12 -1.55 -0.03 0.00 0.01 0.00 0.00 72.50 70.80 1vyg s THR 41 CO 0.10 0.51 -0.11 -0.36 -0.69 0.00 0.00 174.62 174.07 1vyg s PHE 42 N -0.04 2.76 -0.00 4.92 0.40 -0.41 -0.69 117.98 124.92 1vyg s PHE 42 Ca -0.05 -0.13 0.01 0.00 -0.60 0.00 0.00 56.93 56.16 1vyg s PHE 42 Cb -0.13 -1.54 -0.00 0.00 0.51 0.00 0.00 43.02 41.85 1vyg s PHE 42 CO 0.04 0.34 -0.03 0.95 0.70 0.00 0.00 175.22 177.22 1vyg s THR 43 N -1.00 0.21 -0.20 0.64 -4.23 -0.57 -2.36 115.64 108.13 1vyg s THR 43 Ca 0.17 -0.15 -0.11 0.00 -1.18 0.00 0.00 61.69 60.42 1vyg s THR 43 Cb -0.11 -0.19 -0.05 0.00 1.34 0.00 0.00 72.50 73.49 1vyg s THR 43 CO 0.08 0.03 0.18 -0.04 -0.54 0.00 0.00 174.62 174.33 1vyg s MET 44 N -0.13 4.19 -0.48 3.99 -1.94 -1.26 -0.76 119.30 122.90 1vyg s MET 44 Ca 0.00 -0.15 0.03 0.00 -1.71 0.00 0.00 55.69 53.86 1vyg s MET 44 Cb -0.01 -3.44 0.15 0.00 2.01 0.00 0.00 34.83 33.53 1vyg s MET 44 CO -0.00 0.24 0.30 -0.51 -0.01 0.00 0.00 175.02 175.05 1vyg s ASP 45 N 0.50 3.44 1.26 3.03 1.01 0.13 -5.00 116.67 121.04 1vyg s ASP 45 Ca 0.10 -2.93 0.00 0.00 0.71 0.00 0.00 52.55 50.43 1vyg s ASP 45 Cb -0.12 -1.02 0.00 0.00 1.01 0.00 0.00 42.92 42.79 1vyg s ASP 45 CO 0.00 -0.22 0.00 0.61 0.21 0.00 0.00 175.17 175.78 1vyg n GLY 46 N 3.13 1.98 0.42 0.21 0.00 -1.26 -2.69 105.19 106.98 1vyg n GLY 46 Ca 0.15 -0.45 0.09 0.00 0.00 0.00 0.00 46.02 45.81 1vyg n GLY 46 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1vyg n ASP 47 N 4.96 1.25 -4.26 1.61 5.68 -1.26 -4.76 116.55 119.76 1vyg n ASP 47 Ca 0.00 -1.69 -0.34 0.00 -0.50 0.00 0.00 54.79 52.26 1vyg n ASP 47 Cb 0.00 -0.09 -0.15 0.00 -1.14 0.00 0.00 41.12 39.74 1vyg n ASP 47 CO 0.00 0.00 0.00 -0.54 -1.33 0.00 0.00 177.20 175.33 1vyg s LYS 48 N -1.82 3.25 0.08 0.11 1.02 -1.09 -4.44 119.74 116.85 1vyg s LYS 48 Ca 0.29 -0.71 -0.07 0.00 0.02 0.00 0.00 55.97 55.50 1vyg s LYS 48 Cb 0.15 -2.77 -0.05 0.00 -0.52 0.00 0.00 37.83 34.63 1vyg s LYS 48 CO 0.23 -0.10 0.34 1.41 -0.92 0.00 0.00 175.35 176.31 1vyg s MET 49 N 1.15 3.64 -0.06 1.68 -2.45 -0.32 -0.69 119.30 122.25 1vyg s MET 49 Ca 0.01 -0.03 0.04 0.00 -1.25 0.00 0.00 55.69 54.47 1vyg s MET 49 Cb -0.14 -2.97 -0.00 0.00 1.25 0.00 0.00 34.83 32.96 1vyg s MET 49 CO -0.04 0.56 -0.20 0.99 1.05 0.00 0.00 175.02 177.38 1vyg s THR 50 N -1.46 1.68 -0.24 10.11 2.01 0.06 -1.04 115.64 126.76 1vyg s THR 50 Ca 0.34 -0.84 0.02 0.00 0.31 0.00 0.00 61.69 61.52 1vyg s THR 50 Cb -0.13 -1.45 0.04 0.00 0.01 0.00 0.00 72.50 70.98 1vyg s THR 50 CO 0.20 0.48 -0.13 -0.32 -0.69 0.00 0.00 174.62 174.16 1vyg s MET 51 N 0.13 2.53 -0.16 4.92 0.00 -0.43 -1.51 119.30 124.79 1vyg s MET 51 Ca -0.08 -1.15 -0.07 0.00 0.00 0.00 0.00 55.69 54.38 1vyg s MET 51 Cb -0.14 -2.82 -0.04 0.00 0.00 0.00 0.00 34.83 31.83 1vyg s MET 51 CO 0.04 -0.45 0.09 -1.17 0.00 0.00 0.00 175.02 173.54 1vyg s LEU 52 N 1.19 4.04 -0.13 4.11 2.96 0.13 -2.06 118.68 128.92 1vyg s LEU 52 Ca -0.04 0.23 0.02 0.00 -0.22 0.00 0.00 54.13 54.12 1vyg s LEU 52 Cb -0.18 -2.01 -0.00 0.00 0.50 0.00 0.00 46.19 44.51 1vyg s LEU 52 CO -0.07 0.26 -0.19 -0.89 -1.32 0.00 0.00 176.35 174.15 1vyg s THR 53 N -0.16 2.45 -0.17 3.68 2.01 0.40 -0.62 115.64 123.23 1vyg s THR 53 Ca 0.09 -0.86 0.01 0.00 0.31 0.00 0.00 61.69 61.23 1vyg s THR 53 Cb -0.12 -2.00 0.02 0.00 0.01 0.00 0.00 72.50 70.42 1vyg s THR 53 CO 0.01 0.54 -0.17 -1.61 -0.69 0.00 0.00 174.62 172.70 1vyg s GLU 54 N 0.62 2.62 0.39 4.92 2.02 -0.31 -1.78 118.70 127.17 1vyg s GLU 54 Ca -0.10 -0.75 0.06 0.00 0.02 0.00 0.00 54.97 54.20 1vyg s GLU 54 Cb -0.16 -2.39 -0.02 0.00 0.10 0.00 0.00 34.13 31.66 1vyg s GLU 54 CO 0.03 -0.25 0.21 -1.13 0.02 0.00 0.00 175.26 174.14 1vyg n SER 55 N 4.68 0.40 0.20 -0.19 3.41 -0.80 -1.16 113.62 120.15 1vyg n SER 55 Ca -0.19 -3.25 0.05 0.00 -0.26 0.00 0.00 58.87 55.23 1vyg n SER 55 Cb 0.49 1.35 0.43 0.00 -0.26 0.00 0.00 64.21 66.22 1vyg n SER 55 CO 0.00 0.00 0.00 0.71 -0.16 0.00 0.00 175.04 175.59 1vyg h THR 56 N 1.87 1.03 0.00 6.66 1.35 -1.99 -3.35 112.91 118.49 1vyg h THR 56 Ca -0.29 -1.19 0.00 0.00 -0.55 0.00 0.00 66.41 64.38 1vyg h THR 56 Cb 1.25 1.68 0.00 0.00 -1.73 0.00 0.00 68.15 69.34 1vyg h THR 56 CO 0.45 0.32 0.00 0.33 -0.25 0.00 0.00 175.52 176.36 1vyg n PHE 57 N -3.87 0.00 -4.07 4.73 -0.00 -1.26 -4.93 117.46 108.06 1vyg n PHE 57 Ca -0.01 0.00 -0.10 0.00 -0.00 0.00 0.00 57.45 57.33 1vyg n PHE 57 Cb 0.40 -0.46 -0.11 0.00 -0.00 0.00 0.00 39.48 39.31 1vyg n PHE 57 CO 0.00 0.00 0.00 0.15 -0.00 0.00 0.00 176.76 176.91 1vyg s LYS 58 N -2.14 0.57 -0.51 -4.13 1.02 -1.25 -5.10 119.74 108.19 1vyg s LYS 58 Ca 0.00 -0.96 -0.06 0.00 0.02 0.00 0.00 55.97 54.97 1vyg s LYS 58 Cb 0.00 -0.06 0.13 0.00 -0.52 0.00 0.00 37.83 37.38 1vyg s LYS 58 CO 0.00 -0.03 0.35 -0.80 -0.92 0.00 0.00 175.35 173.95 1vyg s ASN 59 N -2.20 5.51 0.25 2.83 0.02 -1.26 -1.91 114.94 118.18 1vyg s ASN 59 Ca -0.02 -2.22 0.05 0.00 -1.02 0.00 0.00 52.86 49.64 1vyg s ASN 59 Cb -0.02 -1.93 -0.03 0.00 0.02 0.00 0.00 41.25 39.29 1vyg s ASN 59 CO -0.03 -0.56 0.37 -0.76 0.02 0.00 0.00 177.10 176.14 1vyg s LEU 60 N 0.88 4.29 -0.02 0.60 1.43 -0.74 -4.95 118.68 120.18 1vyg s LEU 60 Ca 0.10 0.08 -0.13 0.00 -1.03 0.00 0.00 54.13 53.14 1vyg s LEU 60 Cb -0.23 -2.88 0.02 0.00 0.03 0.00 0.00 46.19 43.14 1vyg s LEU 60 CO -0.03 -0.10 0.28 -0.55 0.23 0.00 0.00 176.35 176.18 1vyg s SER 61 N -3.99 -0.16 0.06 2.29 0.15 -1.26 -0.45 113.70 110.33 1vyg s SER 61 Ca 0.35 0.07 -0.14 0.00 0.70 0.00 0.00 55.95 56.94 1vyg s SER 61 Cb -0.09 0.32 0.02 0.00 -1.71 0.00 0.00 66.02 64.56 1vyg s SER 61 CO 0.29 -0.41 0.30 0.00 1.20 0.00 0.00 173.24 174.63 1vyg s THR 63 N -2.82 1.13 -0.04 0.00 2.01 -1.26 -1.31 115.64 113.35 1vyg s THR 63 Ca -0.03 -0.52 -0.09 0.00 0.31 0.00 0.00 61.69 61.36 1vyg s THR 63 Cb 0.00 -1.01 0.02 0.00 0.01 0.00 0.00 72.50 71.52 1vyg s THR 63 CO -0.05 0.34 0.21 0.72 -0.69 0.00 0.00 174.62 175.15 1vyg s PHE 64 N 0.33 -0.14 0.36 4.92 -0.71 -0.20 -5.00 117.98 117.54 1vyg s PHE 64 Ca -0.08 0.30 -0.20 0.00 -1.04 0.00 0.00 56.93 55.91 1vyg s PHE 64 Cb -0.12 0.04 -0.10 0.00 -1.21 0.00 0.00 43.02 41.63 1vyg s PHE 64 CO 0.02 -0.22 0.87 0.21 -1.34 0.00 0.00 175.22 174.76 1vyg s LYS 65 N -0.62 4.25 0.10 1.99 2.20 -1.26 -1.17 119.74 125.23 1vyg s LYS 65 Ca -0.07 1.02 -0.30 0.00 -0.36 0.00 0.00 55.97 56.25 1vyg s LYS 65 Cb -0.04 -2.45 -0.06 0.00 -1.51 0.00 0.00 37.83 33.76 1vyg s LYS 65 CO 0.01 0.13 1.16 -0.06 -0.36 0.00 0.00 175.35 176.23 1vyg s PHE 66 N -1.94 3.49 0.00 4.03 0.08 -1.26 -3.04 117.98 119.34 1vyg s PHE 66 Ca 0.55 1.42 0.00 0.00 0.12 0.00 0.00 56.93 59.02 1vyg s PHE 66 Cb -0.12 -3.37 0.00 0.00 -0.57 0.00 0.00 43.02 38.96 1vyg s PHE 66 CO 0.17 -1.02 0.00 0.41 -0.10 0.00 0.00 175.22 174.69 1vyg n GLY 67 N 2.77 2.54 3.51 4.36 0.00 -0.29 -4.97 105.19 113.11 1vyg n GLY 67 Ca 0.07 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.66 1vyg n GLY 67 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1vyg s GLU 68 N -0.63 3.31 0.70 1.61 2.12 -1.17 -4.92 118.70 119.71 1vyg s GLU 68 Ca 0.00 -0.57 -0.17 0.00 0.36 0.00 0.00 54.97 54.59 1vyg s GLU 68 Cb 0.00 -3.90 0.02 0.00 0.26 0.00 0.00 34.13 30.51 1vyg s GLU 68 CO 0.00 -0.74 1.24 -1.91 -0.54 0.00 0.00 175.26 173.31 1vyg n GLU 69 N 5.58 0.80 -3.63 4.30 2.13 -1.26 -4.66 120.64 123.90 1vyg n GLU 69 Ca -0.07 0.34 -0.10 0.00 0.66 0.00 0.00 57.16 57.98 1vyg n GLU 69 Cb 0.48 -2.48 -0.07 0.00 0.27 0.00 0.00 31.44 29.65 1vyg n GLU 69 CO 0.00 0.00 0.00 -0.59 -0.41 0.00 0.00 177.13 176.13 1vyg s PHE 70 N -1.62 -0.53 0.46 4.31 -0.71 -0.44 -4.99 117.98 114.46 1vyg s PHE 70 Ca 0.79 1.26 -0.17 0.00 -1.04 0.00 0.00 56.93 57.77 1vyg s PHE 70 Cb -0.35 0.35 -0.09 0.00 -1.21 0.00 0.00 43.02 41.72 1vyg s PHE 70 CO 0.44 -0.28 0.93 -0.51 -1.34 0.00 0.00 175.22 174.47 1vyg s ASP 71 N 0.11 6.71 -0.13 1.98 1.01 -1.26 -1.03 116.67 124.06 1vyg s ASP 71 Ca 0.02 1.53 -0.21 0.00 0.71 0.00 0.00 52.55 54.60 1vyg s ASP 71 Cb -0.05 -2.49 0.05 0.00 1.01 0.00 0.00 42.92 41.45 1vyg s ASP 71 CO -0.04 -0.48 0.53 -0.70 0.21 0.00 0.00 175.17 174.70 1vyg s GLU 72 N -3.72 0.74 -0.21 8.23 2.12 -0.59 -4.89 118.70 120.37 1vyg s GLU 72 Ca 0.59 0.46 -0.07 0.00 0.36 0.00 0.00 54.97 56.30 1vyg s GLU 72 Cb -0.10 0.35 -0.03 0.00 0.26 0.00 0.00 34.13 34.61 1vyg s GLU 72 CO 0.25 -0.16 0.06 0.21 -0.54 0.00 0.00 175.26 175.08 1vyg s LYS 73 N -0.37 3.80 0.75 4.30 2.20 -1.26 -0.72 119.74 128.43 1vyg s LYS 73 Ca -0.05 -0.42 -0.12 0.00 -0.36 0.00 0.00 55.97 55.02 1vyg s LYS 73 Cb -0.03 -3.24 0.04 0.00 -1.51 0.00 0.00 37.83 33.08 1vyg s LYS 73 CO 0.04 0.05 1.12 0.95 -0.36 0.00 0.00 175.35 177.15 1vyg s THR 74 N 0.96 2.99 0.26 3.43 -4.23 -0.54 -4.93 115.64 113.58 1vyg s THR 74 Ca 0.04 0.32 -0.05 0.00 -1.18 0.00 0.00 61.69 60.82 1vyg s THR 74 Cb -0.14 -3.30 0.25 0.00 1.34 0.00 0.00 72.50 70.65 1vyg s THR 74 CO 0.03 -0.42 1.93 0.77 -0.54 0.00 0.00 174.62 176.39 1vyg h SER 75 N -0.82 1.08 1.26 3.99 4.64 -1.99 -1.17 113.55 120.54 1vyg h SER 75 Ca -0.45 -0.04 -0.03 0.00 -0.47 0.00 0.00 61.79 60.80 1vyg h SER 75 Cb 1.28 -0.27 -0.00 0.00 -0.31 0.00 0.00 62.40 63.09 1vyg h SER 75 CO 0.64 0.80 -0.12 -2.24 -0.87 0.00 0.00 176.83 175.04 1vyg h ASP 76 N 1.26 0.00 0.00 4.97 3.04 -1.98 -3.47 116.42 120.24 1vyg h ASP 76 Ca 0.34 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 54.13 1vyg h ASP 76 Cb -0.12 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 38.17 1vyg h ASP 76 CO -0.07 0.12 0.00 0.61 -2.04 0.00 0.00 179.24 177.86 1vyg n GLY 77 N 0.43 1.23 3.75 7.15 0.00 -0.44 -4.98 105.19 112.33 1vyg n GLY 77 Ca 0.01 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.64 1vyg n GLY 77 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1vyg s ARG 78 N -0.47 4.45 -0.38 1.61 0.52 -1.26 -4.81 118.95 118.61 1vyg s ARG 78 Ca 0.00 0.99 -0.28 0.00 -0.52 0.00 0.00 55.73 55.92 1vyg s ARG 78 Cb 0.00 -3.34 0.02 0.00 0.52 0.00 0.00 34.95 32.15 1vyg s ARG 78 CO 0.00 0.34 1.07 -0.80 0.02 0.00 0.00 175.30 175.93 1vyg s ASN 79 N -0.23 6.78 0.17 0.23 0.01 -1.26 -1.47 114.94 119.17 1vyg s ASN 79 Ca 0.36 0.76 0.11 0.00 -0.71 0.00 0.00 52.86 53.37 1vyg s ASN 79 Cb -0.20 -2.53 -0.04 0.00 0.41 0.00 0.00 41.25 38.88 1vyg s ASN 79 CO 0.22 -1.01 -0.24 0.68 -1.51 0.00 0.00 177.10 175.24 1vyg s VAL 80 N 3.91 2.19 -0.27 1.60 -7.23 0.10 -4.72 120.40 115.98 1vyg s VAL 80 Ca 0.45 -1.91 -0.13 0.00 -1.81 0.00 0.00 61.98 58.58 1vyg s VAL 80 Cb -0.10 -2.00 -0.04 0.00 0.56 0.00 0.00 36.38 34.79 1vyg s VAL 80 CO 0.22 -0.09 0.27 -0.54 -0.31 0.00 0.00 175.10 174.64 1vyg s LYS 81 N -2.48 4.00 0.10 4.82 1.02 0.70 -1.55 119.74 126.35 1vyg s LYS 81 Ca 0.17 -0.16 0.08 0.00 0.02 0.00 0.00 55.97 56.08 1vyg s LYS 81 Cb -0.08 -3.64 -0.04 0.00 -0.52 0.00 0.00 37.83 33.55 1vyg s LYS 81 CO 0.08 -0.19 -0.15 -1.12 -0.92 0.00 0.00 175.35 173.05 1vyg s SER 82 N 1.62 4.10 -0.03 2.83 0.01 -0.20 -0.63 113.70 121.41 1vyg s SER 82 Ca 0.11 -0.47 0.02 0.00 1.31 0.00 0.00 55.95 56.91 1vyg s SER 82 Cb -0.16 -0.68 0.01 0.00 0.21 0.00 0.00 66.02 65.40 1vyg s SER 82 CO 0.10 0.19 -0.06 0.54 0.41 0.00 0.00 173.24 174.41 1vyg s VAL 83 N -1.15 0.61 -0.29 3.43 0.11 -0.85 -1.32 120.40 120.94 1vyg s VAL 83 Ca 0.19 -0.23 -0.09 0.00 -2.93 0.00 0.00 61.98 58.93 1vyg s VAL 83 Cb -0.11 -0.58 -0.02 0.00 -1.53 0.00 0.00 36.38 34.15 1vyg s VAL 83 CO 0.11 0.21 0.13 -0.69 -3.33 0.00 0.00 175.10 171.53 1vyg s VAL 84 N 0.48 4.55 -0.03 2.04 1.01 -1.26 -0.99 120.40 126.19 1vyg s VAL 84 Ca -0.07 -0.29 -0.10 0.00 0.00 0.00 0.00 61.98 61.53 1vyg s VAL 84 Cb -0.10 -3.24 -0.05 0.00 0.00 0.00 0.00 36.38 32.99 1vyg s VAL 84 CO 0.00 0.18 0.29 -1.61 0.00 0.00 0.00 175.10 173.96 1vyg s GLU 85 N 1.62 3.67 -0.39 2.72 0.41 -0.25 -1.13 118.70 125.35 1vyg s GLU 85 Ca 0.05 0.10 -0.27 0.00 -0.41 0.00 0.00 54.97 54.44 1vyg s GLU 85 Cb -0.16 -3.15 0.02 0.00 -1.78 0.00 0.00 34.13 29.05 1vyg s GLU 85 CO 0.06 0.70 1.00 0.21 -0.49 0.00 0.00 175.26 176.73 1vyg s LYS 86 N -1.31 3.82 -0.16 1.61 2.20 -1.26 -1.24 119.74 123.40 1vyg s LYS 86 Ca 0.23 0.62 -0.25 0.00 -0.36 0.00 0.00 55.97 56.21 1vyg s LYS 86 Cb -0.14 -3.83 -0.22 0.00 -1.51 0.00 0.00 37.83 32.13 1vyg s LYS 86 CO 0.12 -1.07 0.56 -0.91 -0.36 0.00 0.00 175.35 173.69 1vyg h ASN 87 N 8.64 0.00 -0.71 1.43 4.21 -1.83 -3.49 115.58 123.83 1vyg h ASN 87 Ca -0.23 -0.79 0.00 0.00 1.21 0.00 0.00 56.30 56.49 1vyg h ASN 87 Cb 1.07 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 38.27 1vyg h ASN 87 CO 1.03 1.11 0.00 -1.54 -1.29 0.00 0.00 177.43 176.74 1vyg n SER 88 N -4.57 0.00 0.08 5.81 3.41 -0.90 -4.98 113.62 112.47 1vyg n SER 88 Ca -0.16 -0.40 -0.05 0.00 -0.26 0.00 0.00 58.87 58.00 1vyg n SER 88 Cb 0.51 0.00 -0.09 0.00 -0.26 0.00 0.00 64.21 64.37 1vyg n SER 88 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 1vyg h GLU 89 N 0.00 0.00 -0.48 4.33 4.39 -2.00 -3.30 114.58 117.52 1vyg h GLU 89 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1vyg h GLU 89 Cb 0.00 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.65 1vyg h GLU 89 CO 0.00 0.90 0.00 -1.13 -1.16 0.00 0.00 179.01 177.62 1vyg n SER 90 N -3.33 3.56 -3.84 1.42 3.41 -1.26 -3.88 113.62 109.69 1vyg n SER 90 Ca 0.00 -1.98 -0.12 0.00 -0.26 0.00 0.00 58.87 56.51 1vyg n SER 90 Cb 0.90 -0.31 -0.13 0.00 -0.26 0.00 0.00 64.21 64.40 1vyg n SER 90 CO 0.00 0.00 0.00 -0.75 -0.16 0.00 0.00 175.04 174.13 1vyg s LYS 91 N -1.32 0.08 0.13 4.33 2.20 -1.24 0.29 119.74 124.20 1vyg s LYS 91 Ca 0.40 0.11 -0.05 0.00 -0.36 0.00 0.00 55.97 56.08 1vyg s LYS 91 Cb 0.23 0.02 -0.02 0.00 -1.51 0.00 0.00 37.83 36.55 1vyg s LYS 91 CO 0.31 -0.02 0.14 -0.48 -0.36 0.00 0.00 175.35 174.95 1vyg s LEU 92 N 0.11 1.53 -0.11 5.43 0.05 -0.56 -2.13 118.68 123.00 1vyg s LEU 92 Ca -0.01 -0.98 -0.03 0.00 0.05 0.00 0.00 54.13 53.16 1vyg s LEU 92 Cb -0.01 0.70 0.04 0.00 -2.05 0.00 0.00 46.19 44.88 1vyg s LEU 92 CO -0.00 -0.77 0.05 -0.89 -0.55 0.00 0.00 176.35 174.19 1vyg s THR 93 N -3.98 0.09 -0.35 5.48 2.01 -0.37 -1.56 115.64 116.96 1vyg s THR 93 Ca 0.17 0.02 -0.09 0.00 0.31 0.00 0.00 61.69 62.10 1vyg s THR 93 Cb 0.06 -0.50 0.03 0.00 0.01 0.00 0.00 72.50 72.09 1vyg s THR 93 CO -0.02 -0.01 0.16 -1.58 -0.69 0.00 0.00 174.62 172.48 1vyg s GLN 94 N 2.07 2.84 -0.08 4.92 0.74 -0.19 -1.09 119.66 128.87 1vyg s GLN 94 Ca 0.03 -1.05 -0.09 0.00 0.05 0.00 0.00 55.36 54.30 1vyg s GLN 94 Cb -0.14 -3.61 -0.04 0.00 1.10 0.00 0.00 33.01 30.31 1vyg s GLN 94 CO -0.06 -0.64 0.20 0.95 -0.55 0.00 0.00 175.29 175.19 1vyg s THR 95 N 1.51 5.39 -0.17 -0.34 -4.23 -0.16 -0.01 115.64 117.63 1vyg s THR 95 Ca 0.01 0.33 -0.00 0.00 -1.18 0.00 0.00 61.69 60.85 1vyg s THR 95 Cb -0.19 -3.48 0.04 0.00 1.34 0.00 0.00 72.50 70.22 1vyg s THR 95 CO 0.05 0.59 -0.06 -1.10 -0.54 0.00 0.00 174.62 173.57 1vyg s GLN 96 N -1.10 1.50 -0.29 3.99 -0.21 0.24 -2.00 119.66 121.79 1vyg s GLN 96 Ca 0.18 -0.58 -0.05 0.00 0.02 0.00 0.00 55.36 54.93 1vyg s GLN 96 Cb -0.13 -2.09 0.02 0.00 1.00 0.00 0.00 33.01 31.82 1vyg s GLN 96 CO 0.07 -0.44 0.04 0.08 -2.12 0.00 0.00 175.29 172.92 1vyg s VAL 97 N 1.60 3.56 0.45 1.09 1.01 0.20 -0.29 120.40 128.02 1vyg s VAL 97 Ca 0.00 -0.93 0.06 0.00 0.00 0.00 0.00 61.98 61.12 1vyg s VAL 97 Cb -0.16 -2.88 -0.02 0.00 0.00 0.00 0.00 36.38 33.32 1vyg s VAL 97 CO -0.08 0.04 0.24 1.51 0.00 0.00 0.00 175.10 176.82 1vyg s ASP 98 N 1.41 4.53 0.47 3.32 -4.77 -0.82 -0.21 116.67 120.60 1vyg s ASP 98 Ca 0.00 -1.12 0.26 0.00 -3.30 0.00 0.00 52.55 48.40 1vyg s ASP 98 Cb -0.18 -0.21 0.66 0.00 -1.09 0.00 0.00 42.92 42.10 1vyg s ASP 98 CO 0.00 -0.71 1.72 -0.65 0.70 0.00 0.00 175.17 176.24 1vyg h PRO 99 N 1.21 0.00 0.10 2.11 0.11 -1.98 -3.15 132.00 130.40 1vyg h PRO 99 Ca -0.41 0.00 -0.28 0.00 0.11 0.00 0.00 66.00 65.41 1vyg h PRO 99 Cb 1.27 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.37 1vyg h PRO 99 CO 0.66 0.04 -1.38 0.87 -0.21 0.00 0.00 178.00 177.97 1vyg h LYS 100 N 0.00 0.22 -3.46 1.05 1.57 -1.99 -3.49 116.57 110.46 1vyg h LYS 100 Ca -0.00 -0.37 -0.05 0.00 -1.87 0.00 0.00 60.65 58.35 1vyg h LYS 100 Cb 0.86 0.14 -0.12 0.00 0.08 0.00 0.00 32.23 33.19 1vyg h LYS 100 CO 0.00 1.11 -0.10 -0.80 -0.57 0.00 0.00 179.45 179.09 1vyg s ASN 101 N -6.97 -0.18 -0.19 0.86 0.01 -1.19 -5.14 114.94 102.14 1vyg s ASN 101 Ca -0.06 -0.45 0.01 0.00 -0.71 0.00 0.00 52.86 51.66 1vyg s ASN 101 Cb 0.07 0.48 0.03 0.00 0.41 0.00 0.00 41.25 42.24 1vyg s ASN 101 CO 0.86 -0.90 -0.18 -0.89 -1.51 0.00 0.00 177.10 174.49 1vyg s THR 102 N -3.84 2.01 -0.25 1.60 2.01 -1.26 -1.94 115.64 113.97 1vyg s THR 102 Ca 0.06 -1.03 -0.12 0.00 0.31 0.00 0.00 61.69 60.91 1vyg s THR 102 Cb 0.02 -1.88 -0.05 0.00 0.01 0.00 0.00 72.50 70.60 1vyg s THR 102 CO -0.08 0.42 0.24 -0.89 -0.69 0.00 0.00 174.62 173.62 1vyg s THR 103 N 1.28 5.29 -0.19 -0.82 2.01 0.60 -4.26 115.64 119.56 1vyg s THR 103 Ca 0.02 0.33 -0.08 0.00 0.31 0.00 0.00 61.69 62.28 1vyg s THR 103 Cb -0.14 -3.58 -0.04 0.00 0.01 0.00 0.00 72.50 68.75 1vyg s THR 103 CO -0.11 0.28 0.07 -0.69 -0.69 0.00 0.00 174.62 173.47 1vyg s VAL 104 N 1.42 4.80 -0.33 3.82 1.01 -0.47 0.82 120.40 131.47 1vyg s VAL 104 Ca 0.11 -0.03 0.02 0.00 0.00 0.00 0.00 61.98 62.08 1vyg s VAL 104 Cb -0.15 -3.17 0.10 0.00 0.00 0.00 0.00 36.38 33.16 1vyg s VAL 104 CO 0.07 0.45 0.07 -0.63 0.00 0.00 0.00 175.10 175.06 1vyg s ILE 105 N 0.48 1.66 -0.17 2.22 1.01 0.99 -1.00 121.20 126.39 1vyg s ILE 105 Ca 0.03 -1.94 -0.25 0.00 0.00 0.00 0.00 60.65 58.50 1vyg s ILE 105 Cb -0.13 -2.24 -0.02 0.00 0.01 0.00 0.00 42.46 40.09 1vyg s ILE 105 CO 0.01 -0.64 0.82 -0.69 0.00 0.00 0.00 174.94 174.44 1vyg s VAL 106 N 1.21 4.89 -0.13 2.92 1.01 -0.09 -1.02 120.40 129.18 1vyg s VAL 106 Ca 0.11 1.60 -0.01 0.00 0.00 0.00 0.00 61.98 63.67 1vyg s VAL 106 Cb -0.18 -4.12 -0.02 0.00 0.00 0.00 0.00 36.38 32.06 1vyg s VAL 106 CO -0.16 0.03 -0.11 -0.13 0.00 0.00 0.00 175.10 174.74 1vyg s ARG 107 N 2.15 3.37 -0.05 2.72 0.52 -0.60 0.93 118.95 127.99 1vyg s ARG 107 Ca 0.37 -0.64 -0.02 0.00 -0.52 0.00 0.00 55.73 54.93 1vyg s ARG 107 Cb -0.16 -2.68 0.03 0.00 0.52 0.00 0.00 34.95 32.65 1vyg s ARG 107 CO 0.12 0.27 0.05 -2.00 0.02 0.00 0.00 175.30 173.76 1vyg s GLU 108 N 0.23 0.05 -0.10 3.54 2.12 -0.18 -1.50 118.70 122.86 1vyg s GLU 108 Ca -0.07 0.31 -0.26 0.00 0.36 0.00 0.00 54.97 55.31 1vyg s GLU 108 Cb -0.15 -0.67 -0.02 0.00 0.26 0.00 0.00 34.13 33.55 1vyg s GLU 108 CO 0.05 -0.35 0.83 0.08 -0.54 0.00 0.00 175.26 175.33 1vyg s VAL 109 N 2.13 4.92 -0.37 3.70 1.01 0.15 -1.09 120.40 130.85 1vyg s VAL 109 Ca 0.05 1.69 0.00 0.00 0.00 0.00 0.00 61.98 63.72 1vyg s VAL 109 Cb -0.12 -4.16 0.14 0.00 0.00 0.00 0.00 36.38 32.24 1vyg s VAL 109 CO -0.04 0.12 0.21 -0.62 0.00 0.00 0.00 175.10 174.78 1vyg s ASP 110 N 1.01 3.16 1.39 3.32 3.68 0.11 -4.84 116.67 124.50 1vyg s ASP 110 Ca 0.41 -2.22 0.00 0.00 2.13 0.00 0.00 52.55 52.87 1vyg s ASP 110 Cb -0.18 -0.54 0.00 0.00 -1.45 0.00 0.00 42.92 40.75 1vyg s ASP 110 CO 0.18 -0.31 0.00 0.61 0.13 0.00 0.00 175.17 175.78 1vyg n GLY 111 N 4.02 2.59 0.83 2.66 0.00 -1.26 -2.24 105.19 111.79 1vyg n GLY 111 Ca 0.10 -0.16 0.12 0.00 0.00 0.00 0.00 46.02 46.09 1vyg n GLY 111 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1vyg n ASP 112 N 9.56 2.55 -4.59 1.61 8.00 -1.26 -4.86 116.55 127.55 1vyg n ASP 112 Ca 0.00 -1.84 -0.34 0.00 0.71 0.00 0.00 54.79 53.32 1vyg n ASP 112 Cb 0.00 -0.07 -0.11 0.00 -0.02 0.00 0.00 41.12 40.93 1vyg n ASP 112 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 1vyg s THR 113 N -1.87 4.20 -0.20 -3.53 2.01 -0.95 -1.18 115.64 114.13 1vyg s THR 113 Ca 0.33 -0.26 -0.03 0.00 0.31 0.00 0.00 61.69 62.03 1vyg s THR 113 Cb 0.20 -2.82 -0.01 0.00 0.01 0.00 0.00 72.50 69.88 1vyg s THR 113 CO 0.31 0.53 -0.05 -0.32 -0.69 0.00 0.00 174.62 174.40 1vyg s MET 114 N -0.13 3.43 -0.22 4.92 1.75 -0.60 0.06 119.30 128.51 1vyg s MET 114 Ca 0.04 -0.61 -0.12 0.00 -1.25 0.00 0.00 55.69 53.75 1vyg s MET 114 Cb -0.13 -2.96 -0.05 0.00 2.84 0.00 0.00 34.83 34.54 1vyg s MET 114 CO 0.02 -0.08 0.22 0.21 -0.65 0.00 0.00 175.02 174.75 1vyg s LYS 115 N 1.16 4.12 -0.35 4.11 2.20 -0.25 -0.49 119.74 130.24 1vyg s LYS 115 Ca 0.02 -0.13 -0.07 0.00 -0.36 0.00 0.00 55.97 55.43 1vyg s LYS 115 Cb -0.14 -3.52 0.04 0.00 -1.51 0.00 0.00 37.83 32.70 1vyg s LYS 115 CO -0.01 0.08 0.13 0.99 -0.36 0.00 0.00 175.35 176.18 1vyg s THR 116 N 1.00 3.89 -0.15 3.43 2.01 0.23 -1.01 115.64 125.04 1vyg s THR 116 Ca 0.11 -1.14 -0.16 0.00 0.31 0.00 0.00 61.69 60.81 1vyg s THR 116 Cb -0.13 -3.22 -0.04 0.00 0.01 0.00 0.00 72.50 69.11 1vyg s THR 116 CO 0.05 -0.22 0.38 -0.89 -0.69 0.00 0.00 174.62 173.25 1vyg s THR 117 N 1.41 5.24 -0.13 -0.82 2.01 0.26 0.70 115.64 124.32 1vyg s THR 117 Ca -0.01 0.73 0.02 0.00 0.31 0.00 0.00 61.69 62.75 1vyg s THR 117 Cb -0.20 -3.72 0.01 0.00 0.01 0.00 0.00 72.50 68.60 1vyg s THR 117 CO 0.03 0.34 -0.21 -0.69 -0.69 0.00 0.00 174.62 173.40 1vyg s VAL 118 N 0.66 1.95 -0.11 3.82 1.01 0.57 -0.91 120.40 127.38 1vyg s VAL 118 Ca 0.21 -0.92 -0.00 0.00 0.00 0.00 0.00 61.98 61.27 1vyg s VAL 118 Cb -0.14 -1.73 0.02 0.00 0.00 0.00 0.00 36.38 34.54 1vyg s VAL 118 CO 0.07 0.53 -0.09 -0.89 0.00 0.00 0.00 175.10 174.72 1vyg s THR 119 N 0.81 1.10 -0.32 3.92 2.01 -0.17 -0.97 115.64 122.02 1vyg s THR 119 Ca -0.08 -0.35 0.02 0.00 0.31 0.00 0.00 61.69 61.59 1vyg s THR 119 Cb -0.16 -1.09 0.08 0.00 0.01 0.00 0.00 72.50 71.34 1vyg s THR 119 CO -0.01 0.38 0.01 -0.69 -0.69 0.00 0.00 174.62 173.62 1vyg s VAL 120 N 1.58 2.51 0.00 3.82 1.01 -0.59 -1.37 120.40 127.36 1vyg s VAL 120 Ca 0.03 -1.92 0.00 0.00 0.00 0.00 0.00 61.98 60.09 1vyg s VAL 120 Cb -0.13 -2.65 0.00 0.00 0.00 0.00 0.00 36.38 33.60 1vyg s VAL 120 CO -0.07 -0.35 0.00 0.61 0.00 0.00 0.00 175.10 175.28 1vyg n GLY 121 N 4.42 3.66 0.45 4.51 0.00 -1.26 -1.76 105.19 115.21 1vyg n GLY 121 Ca -0.05 0.14 0.13 0.00 0.00 0.00 0.00 46.02 46.23 1vyg n GLY 121 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1vyg n ASP 122 N 9.52 1.61 -4.86 1.61 3.85 -1.26 -4.91 116.55 122.12 1vyg n ASP 122 Ca 0.00 -1.32 -0.36 0.00 -0.71 0.00 0.00 54.79 52.40 1vyg n ASP 122 Cb 0.00 0.15 -0.06 0.00 -1.35 0.00 0.00 41.12 39.86 1vyg n ASP 122 CO 0.00 0.00 0.00 -0.69 -1.01 0.00 0.00 177.20 175.50 1vyg s VAL 123 N -2.30 5.07 -0.07 2.12 1.01 -0.72 -5.09 120.40 120.43 1vyg s VAL 123 Ca 0.27 0.57 -0.04 0.00 0.00 0.00 0.00 61.98 62.79 1vyg s VAL 123 Cb 0.20 -3.66 0.04 0.00 0.00 0.00 0.00 36.38 32.95 1vyg s VAL 123 CO 0.45 0.38 0.17 -0.89 0.00 0.00 0.00 175.10 175.21 1vyg s THR 124 N -1.30 -0.04 0.17 3.92 2.01 -1.26 -1.55 115.64 117.59 1vyg s THR 124 Ca 0.30 0.15 0.09 0.00 0.31 0.00 0.00 61.69 62.54 1vyg s THR 124 Cb -0.15 -0.26 -0.04 0.00 0.01 0.00 0.00 72.50 72.06 1vyg s THR 124 CO 0.16 0.06 -0.19 0.00 -0.69 0.00 0.00 174.62 173.96 1vyg s ALA 125 N 1.03 2.09 -0.04 7.40 0.00 -0.15 -4.77 121.76 127.33 1vyg s ALA 125 Ca -0.08 -1.52 0.03 0.00 0.00 0.00 0.00 51.96 50.39 1vyg s ALA 125 Cb -0.10 -0.20 0.01 0.00 0.00 0.00 0.00 23.12 22.82 1vyg s ALA 125 CO -0.06 0.26 -0.10 0.42 0.00 0.00 0.00 175.76 176.28 1vyg s ILE 126 N -2.01 0.92 -0.11 0.00 1.01 -0.50 -0.32 121.20 120.19 1vyg s ILE 126 Ca 0.17 -0.41 -0.00 0.00 0.00 0.00 0.00 60.65 60.41 1vyg s ILE 126 Cb -0.06 -0.83 0.02 0.00 0.01 0.00 0.00 42.46 41.61 1vyg s ILE 126 CO 0.07 0.29 -0.07 -0.13 0.00 0.00 0.00 174.94 175.10 1vyg s ARG 127 N 0.35 1.48 -0.12 2.79 0.52 0.22 -0.62 118.95 123.56 1vyg s ARG 127 Ca -0.07 -0.24 -0.11 0.00 -0.52 0.00 0.00 55.73 54.80 1vyg s ARG 127 Cb -0.11 -1.56 -0.05 0.00 0.52 0.00 0.00 34.95 33.76 1vyg s ARG 127 CO 0.01 -0.27 0.22 -0.80 0.02 0.00 0.00 175.30 174.49 1vyg s ASN 128 N 1.72 6.44 -0.13 0.23 0.02 0.42 0.76 114.94 124.40 1vyg s ASN 128 Ca 0.05 0.52 0.00 0.00 -1.02 0.00 0.00 52.86 52.41 1vyg s ASN 128 Cb -0.13 -2.13 -0.01 0.00 0.02 0.00 0.00 41.25 39.00 1vyg s ASN 128 CO -0.08 0.27 -0.14 -0.31 0.02 0.00 0.00 177.10 176.86 1vyg s TYR 129 N -0.40 2.78 -0.01 2.20 2.02 0.36 -0.93 117.35 123.37 1vyg s TYR 129 Ca 0.16 -0.70 -0.22 0.00 -0.37 0.00 0.00 57.07 55.93 1vyg s TYR 129 Cb -0.13 -1.83 -0.05 0.00 -0.40 0.00 0.00 41.96 39.55 1vyg s TYR 129 CO 0.04 -0.24 0.66 0.15 -1.57 0.00 0.00 175.55 174.59 1vyg s LYS 130 N 0.36 4.40 0.28 -0.62 1.02 0.32 -1.56 119.74 123.93 1vyg s LYS 130 Ca -0.12 0.85 -0.30 0.00 0.02 0.00 0.00 55.97 56.42 1vyg s LYS 130 Cb -0.16 -3.38 -0.11 0.00 -0.52 0.00 0.00 37.83 33.66 1vyg s LYS 130 CO 0.06 0.27 1.55 0.50 -0.92 0.00 0.00 175.35 176.80 1vyg s ARG 131 N 0.11 4.17 -0.10 1.68 3.52 -0.32 -1.25 118.95 126.76 1vyg s ARG 131 Ca 0.34 2.49 -0.17 0.00 -0.13 0.00 0.00 55.73 58.26 1vyg s ARG 131 Cb -0.19 -3.05 -0.05 0.00 -1.56 0.00 0.00 34.95 30.11 1vyg s ARG 131 CO 0.19 -0.57 0.46 -0.51 -0.81 0.00 0.00 175.30 174.06 1vyg s LEU 132 N -0.46 4.31 0.00 -0.88 1.43 -0.69 -4.87 118.68 117.52 1vyg s LEU 132 Ca 0.62 0.83 0.00 0.00 -1.03 0.00 0.00 54.13 54.55 1vyg s LEU 132 Cb -0.46 -2.67 0.00 0.00 0.03 0.00 0.00 46.19 43.09 1vyg s LEU 132 CO 0.46 0.06 0.00 -1.20 0.23 0.00 0.00 176.35 175.90