#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1vrc s ILE 3 N 0.00 3.33 0.34 2.28 1.01 -1.26 -4.68 121.20 122.22 1vrc s ILE 3 Ca 0.00 1.17 -0.26 0.00 0.00 0.00 0.00 60.65 61.56 1vrc s ILE 3 Cb 0.00 -3.75 -0.10 0.00 0.01 0.00 0.00 42.46 38.63 1vrc s ILE 3 CO 0.00 0.21 0.99 0.00 0.00 0.00 0.00 174.94 176.14 1vrc s ALA 4 N -0.30 3.19 -0.07 9.38 0.00 -0.68 -4.96 121.76 128.32 1vrc s ALA 4 Ca 0.52 0.62 0.03 0.00 0.00 0.00 0.00 51.96 53.13 1vrc s ALA 4 Cb -0.35 -3.23 0.01 0.00 0.00 0.00 0.00 23.12 19.56 1vrc s ALA 4 CO 0.40 0.02 -0.16 0.42 0.00 0.00 0.00 175.76 176.44 1vrc s ILE 5 N -1.58 1.40 -0.09 0.00 1.01 -1.14 -1.09 121.20 119.71 1vrc s ILE 5 Ca 0.52 -0.63 0.03 0.00 0.00 0.00 0.00 60.65 60.56 1vrc s ILE 5 Cb -0.21 -1.24 0.01 0.00 0.01 0.00 0.00 42.46 41.02 1vrc s ILE 5 CO 0.27 0.41 -0.18 -0.69 0.00 0.00 0.00 174.94 174.75 1vrc s VAL 6 N 0.55 1.59 -0.14 2.92 1.01 -0.56 -0.89 120.40 124.89 1vrc s VAL 6 Ca -0.15 -0.74 -0.03 0.00 0.00 0.00 0.00 61.98 61.06 1vrc s VAL 6 Cb -0.16 -1.41 -0.03 0.00 0.00 0.00 0.00 36.38 34.78 1vrc s VAL 6 CO 0.05 0.46 -0.04 -0.63 0.00 0.00 0.00 175.10 174.94 1vrc s ILE 7 N 0.57 3.90 -0.01 2.22 1.01 -0.24 -0.75 121.20 127.90 1vrc s ILE 7 Ca -0.15 -0.37 0.01 0.00 0.00 0.00 0.00 60.65 60.14 1vrc s ILE 7 Cb -0.17 -2.69 0.01 0.00 0.01 0.00 0.00 42.46 39.62 1vrc s ILE 7 CO 0.05 0.52 -0.02 -0.83 0.00 0.00 0.00 174.94 174.65 1vrc s GLY 8 N 0.10 0.19 0.05 6.18 0.00 -0.65 -1.66 107.32 111.53 1vrc s GLY 8 Ca -0.01 -0.05 -0.09 0.00 0.00 0.00 0.00 44.72 44.57 1vrc s GLY 8 CO 0.03 0.09 0.19 -0.51 0.00 0.00 0.00 173.10 172.90 1vrc s THR 9 N 0.25 0.12 -1.01 0.90 -4.23 -1.26 -2.39 115.64 108.02 1vrc s THR 9 Ca -0.02 -0.99 -0.25 0.00 -1.18 0.00 0.00 61.69 59.25 1vrc s THR 9 Cb -0.05 -1.05 -0.13 0.00 1.34 0.00 0.00 72.50 72.61 1vrc s THR 9 CO -0.01 -0.55 2.09 -1.00 -0.54 0.00 0.00 174.62 174.62 1vrc s HIS 10 N -2.98 1.53 -2.84 3.99 3.76 -1.26 -3.76 115.29 113.73 1vrc s HIS 10 Ca -0.02 1.39 0.00 0.00 -0.15 0.00 0.00 55.06 56.28 1vrc s HIS 10 Cb 0.01 -3.68 0.00 0.00 1.11 0.00 0.00 32.58 30.02 1vrc s HIS 10 CO -0.06 -1.22 0.00 0.41 -0.85 0.00 0.00 174.74 173.02 1vrc n GLY 11 N 6.34 0.60 1.01 -2.22 0.00 -0.94 -4.84 105.19 105.14 1vrc n GLY 11 Ca 0.43 -1.52 0.01 0.00 0.00 0.00 0.00 46.02 44.94 1vrc n GLY 11 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1vrc n TRP 12 N 5.11 0.99 0.11 1.61 8.01 -1.26 -2.56 117.44 129.45 1vrc n TRP 12 Ca 0.00 -1.31 -0.01 0.00 -1.31 0.00 0.00 57.50 54.87 1vrc n TRP 12 Cb 0.00 -0.41 0.00 0.00 -2.01 0.00 0.00 31.31 28.89 1vrc n TRP 12 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.69 176.68 1vrc h ALA 13 N 1.22 0.59 -0.53 6.99 0.00 -1.88 -3.36 119.26 122.29 1vrc h ALA 13 Ca 0.14 -0.62 0.08 0.00 0.00 0.00 0.00 54.91 54.50 1vrc h ALA 13 Cb 1.56 -0.11 -0.06 0.00 0.00 0.00 0.00 17.79 19.18 1vrc h ALA 13 CO 0.32 0.85 0.18 0.00 0.00 0.00 0.00 179.25 180.60 1vrc h ALA 14 N 1.32 0.65 -0.98 0.00 0.00 -1.84 -0.73 119.26 117.69 1vrc h ALA 14 Ca -0.01 0.07 0.01 0.00 0.00 0.00 0.00 54.91 54.99 1vrc h ALA 14 Cb 1.48 0.05 -0.05 0.00 0.00 0.00 0.00 17.79 19.27 1vrc h ALA 14 CO 0.09 -0.21 0.65 1.49 0.00 0.00 0.00 179.25 181.26 1vrc h GLU 15 N 0.36 1.27 -0.19 0.00 4.81 -1.87 -2.14 114.58 116.83 1vrc h GLU 15 Ca 0.26 -0.08 -0.14 0.00 -0.13 0.00 0.00 59.36 59.27 1vrc h GLU 15 Cb 0.29 -0.29 -0.01 0.00 0.63 0.00 0.00 28.75 29.37 1vrc h GLU 15 CO -0.27 0.84 -0.48 1.96 -0.73 0.00 0.00 179.01 180.34 1vrc h GLN 16 N 1.31 0.49 -0.74 1.92 1.08 -1.55 -1.27 115.11 116.35 1vrc h GLN 16 Ca 0.36 -0.27 -0.06 0.00 -1.45 0.00 0.00 58.65 57.23 1vrc h GLN 16 Cb -0.13 0.02 -0.03 0.00 -0.05 0.00 0.00 27.48 27.29 1vrc h GLN 16 CO -0.08 0.86 0.22 -0.07 -0.95 0.00 0.00 178.83 178.81 1vrc h LEU 17 N 0.39 1.09 -0.45 1.46 3.38 -0.81 0.15 115.31 120.53 1vrc h LEU 17 Ca 0.02 -0.21 -0.05 0.00 0.09 0.00 0.00 57.88 57.73 1vrc h LEU 17 Cb 0.98 -0.29 -0.02 0.00 0.09 0.00 0.00 40.66 41.43 1vrc h LEU 17 CO 0.09 1.02 0.08 0.25 0.09 0.00 0.00 178.44 179.96 1vrc h LEU 18 N 1.11 0.71 -0.99 1.67 5.85 -1.25 -1.64 115.31 120.77 1vrc h LEU 18 Ca 0.24 -0.26 -0.02 0.00 0.84 0.00 0.00 57.88 58.68 1vrc h LEU 18 Cb 0.32 -0.19 -0.04 0.00 0.37 0.00 0.00 40.66 41.13 1vrc h LEU 18 CO -0.01 0.78 0.45 0.11 -0.34 0.00 0.00 178.44 179.44 1vrc h LYS 19 N 0.60 1.16 -0.18 1.25 1.57 -0.82 0.42 116.57 120.57 1vrc h LYS 19 Ca 0.14 -0.14 -0.01 0.00 -1.87 0.00 0.00 60.65 58.77 1vrc h LYS 19 Cb 0.38 -0.23 -0.01 0.00 0.08 0.00 0.00 32.23 32.45 1vrc h LYS 19 CO 0.01 0.86 0.06 1.15 -0.57 0.00 0.00 179.45 180.95 1vrc h THR 20 N 1.17 1.18 -0.58 -0.16 2.02 -0.87 -0.76 112.91 114.91 1vrc h THR 20 Ca 0.29 -0.56 0.04 0.00 0.77 0.00 0.00 66.41 66.95 1vrc h THR 20 Cb 0.03 1.22 -0.04 0.00 -1.74 0.00 0.00 68.15 67.62 1vrc h THR 20 CO -0.05 0.18 0.33 0.00 0.37 0.00 0.00 175.52 176.35 1vrc h ALA 21 N 0.88 0.76 0.00 6.16 0.00 -0.43 -1.48 119.26 125.15 1vrc h ALA 21 Ca 0.06 0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.95 1vrc h ALA 21 Cb 0.22 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 17.88 1vrc h ALA 21 CO -0.00 0.02 -0.13 0.93 0.00 0.00 0.00 179.25 180.07 1vrc h GLU 22 N 0.63 0.00 -0.07 0.00 5.08 -0.73 0.32 114.58 119.81 1vrc h GLU 22 Ca 0.25 0.00 -0.12 0.00 -1.00 0.00 0.00 59.36 58.49 1vrc h GLU 22 Cb 0.10 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.34 1vrc h GLU 22 CO -0.14 0.13 -0.51 1.98 -1.00 0.00 0.00 179.01 179.47 1vrc h MET 23 N 0.00 0.18 0.17 2.33 4.05 -0.09 0.20 114.93 121.76 1vrc h MET 23 Ca -0.00 -0.10 -0.33 0.00 -0.28 0.00 0.00 59.70 58.98 1vrc h MET 23 Cb 0.50 0.01 0.00 0.00 -0.80 0.00 0.00 31.60 31.31 1vrc h MET 23 CO 0.02 0.65 -1.66 -0.07 0.23 0.00 0.00 176.91 176.08 1vrc h LEU 24 N 0.14 0.55 0.00 3.39 3.38 -0.71 -3.40 115.31 118.65 1vrc h LEU 24 Ca 0.00 -0.78 0.00 0.00 0.09 0.00 0.00 57.88 57.19 1vrc h LEU 24 Cb 0.96 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 41.53 1vrc h LEU 24 CO 0.08 1.66 -0.71 0.18 0.09 0.00 0.00 178.44 179.73 1vrc n LEU 25 N -3.54 0.41 0.00 1.67 4.77 0.99 -5.12 117.00 116.17 1vrc n LEU 25 Ca -0.21 -0.40 0.00 0.00 -0.03 0.00 0.00 56.01 55.37 1vrc n LEU 25 Cb 1.07 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 42.16 1vrc n LEU 25 CO 0.52 0.10 0.00 0.61 -1.33 0.00 0.00 177.39 177.29 1vrc n GLY 26 N 1.38 1.37 3.75 -0.72 0.00 0.71 -4.96 105.19 106.71 1vrc n GLY 26 Ca 0.01 -1.90 -0.42 0.00 0.00 0.00 0.00 46.02 43.71 1vrc n GLY 26 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1vrc n GLU 27 N 1.57 2.56 -4.14 1.61 1.02 -1.26 -4.34 120.64 117.65 1vrc n GLU 27 Ca 0.00 0.90 -0.32 0.00 -0.02 0.00 0.00 57.16 57.72 1vrc n GLU 27 Cb 0.00 -2.61 -0.07 0.00 -0.02 0.00 0.00 31.44 28.74 1vrc n GLU 27 CO 0.00 0.00 0.00 -0.65 1.18 0.00 0.00 177.13 177.66 1vrc s GLN 28 N -1.73 2.90 0.21 3.49 -0.21 -1.26 -5.09 119.66 117.97 1vrc s GLN 28 Ca 0.56 -0.60 0.06 0.00 0.02 0.00 0.00 55.36 55.40 1vrc s GLN 28 Cb -0.50 -2.75 -0.04 0.00 1.00 0.00 0.00 33.01 30.72 1vrc s GLN 28 CO 0.60 0.61 0.15 -1.21 -2.12 0.00 0.00 175.29 173.32 1vrc s GLU 29 N -1.90 2.85 -1.36 2.91 2.02 -1.26 -4.66 118.70 117.30 1vrc s GLU 29 Ca 0.24 -0.99 -0.08 0.00 0.02 0.00 0.00 54.97 54.15 1vrc s GLU 29 Cb -0.12 -2.57 0.02 0.00 0.10 0.00 0.00 34.13 31.56 1vrc s GLU 29 CO 0.15 0.44 1.14 -1.71 0.02 0.00 0.00 175.26 175.30 1vrc n ASN 30 N -0.73 -5.66 -4.01 -0.19 5.15 -1.26 -4.97 115.26 103.59 1vrc n ASN 30 Ca -0.08 -0.58 -0.22 0.00 -0.60 0.00 0.00 54.58 53.10 1vrc n ASN 30 Cb 0.56 -4.90 -0.16 0.00 -0.53 0.00 0.00 39.78 34.75 1vrc n ASN 30 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 1vrc s VAL 31 N -3.33 0.90 0.31 3.44 1.01 -1.26 -2.88 120.40 118.59 1vrc s VAL 31 Ca 0.52 -0.40 0.05 0.00 0.00 0.00 0.00 61.98 62.15 1vrc s VAL 31 Cb -0.24 -0.80 -0.06 0.00 0.00 0.00 0.00 36.38 35.28 1vrc s VAL 31 CO 0.74 0.28 0.00 -0.83 0.00 0.00 0.00 175.10 175.30 1vrc s GLY 32 N 0.29 1.99 0.10 4.51 0.00 -0.07 -5.01 107.32 109.13 1vrc s GLY 32 Ca -0.05 -2.01 -0.20 0.00 0.00 0.00 0.00 44.72 42.46 1vrc s GLY 32 CO 0.01 -1.84 0.49 0.66 0.00 0.00 0.00 173.10 172.42 1vrc s TRP 33 N -3.13 -0.37 0.08 1.90 1.48 -1.26 -1.08 118.94 116.56 1vrc s TRP 33 Ca 0.33 0.23 0.01 0.00 -1.06 0.00 0.00 56.10 55.62 1vrc s TRP 33 Cb 0.07 0.36 -0.04 0.00 -1.16 0.00 0.00 33.47 32.70 1vrc s TRP 33 CO 0.14 -0.71 -0.06 0.96 -4.06 0.00 0.00 176.95 173.22 1vrc s ILE 34 N -3.21 0.57 0.31 0.66 -4.36 -0.67 -4.92 121.20 109.58 1vrc s ILE 34 Ca -0.01 -1.83 0.09 0.00 -0.26 0.00 0.00 60.65 58.64 1vrc s ILE 34 Cb 0.00 -1.55 -0.05 0.00 1.25 0.00 0.00 42.46 42.11 1vrc s ILE 34 CO -0.08 -0.86 0.04 1.51 0.24 0.00 0.00 174.94 175.79 1vrc s ASP 35 N -2.89 4.49 -0.11 4.36 1.47 -1.26 -4.06 116.67 118.66 1vrc s ASP 35 Ca 0.09 -0.77 -0.02 0.00 1.18 0.00 0.00 52.55 53.03 1vrc s ASP 35 Cb 0.05 -0.72 0.04 0.00 -0.34 0.00 0.00 42.92 41.94 1vrc s ASP 35 CO -0.05 -0.15 -0.00 0.12 0.68 0.00 0.00 175.17 175.76 1vrc s PHE 36 N -2.41 0.90 0.01 2.11 5.36 -1.06 -4.92 117.98 117.98 1vrc s PHE 36 Ca 0.34 -0.44 0.02 0.00 -0.96 0.00 0.00 56.93 55.89 1vrc s PHE 36 Cb -0.04 -0.93 -0.04 0.00 -0.34 0.00 0.00 43.02 41.68 1vrc s PHE 36 CO 0.21 -0.43 -0.00 0.08 -1.46 0.00 0.00 175.22 173.62 1vrc s VAL 37 N 1.90 4.12 0.29 3.12 1.01 -1.26 -2.21 120.40 127.36 1vrc s VAL 37 Ca 0.03 -0.66 -0.30 0.00 0.00 0.00 0.00 61.98 61.05 1vrc s VAL 37 Cb -0.13 -2.85 -0.12 0.00 0.00 0.00 0.00 36.38 33.27 1vrc s VAL 37 CO -0.06 0.34 1.47 -2.65 0.00 0.00 0.00 175.10 174.19 1vrc n PRO 38 N 1.28 2.35 0.00 2.72 -0.02 -1.26 -1.57 135.00 138.50 1vrc n PRO 38 Ca -0.14 0.83 0.00 0.00 -2.02 0.00 0.00 63.50 62.17 1vrc n PRO 38 Cb 0.53 -2.53 0.00 0.00 -0.02 0.00 0.00 33.50 31.47 1vrc n PRO 38 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1vrc n GLY 39 N 1.82 2.23 3.88 -1.23 0.00 -1.26 -5.08 105.19 105.55 1vrc n GLY 39 Ca 0.09 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.81 1vrc n GLY 39 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1vrc s GLU 40 N -0.22 3.69 0.47 1.61 2.02 -0.61 -5.10 118.70 120.57 1vrc s GLU 40 Ca 0.00 0.52 0.02 0.00 0.02 0.00 0.00 54.97 55.53 1vrc s GLU 40 Cb 0.00 -2.28 -0.01 0.00 0.10 0.00 0.00 34.13 31.94 1vrc s GLU 40 CO 0.00 -0.25 0.07 -0.80 0.02 0.00 0.00 175.26 174.30 1vrc s ASN 41 N -3.68 3.54 0.39 -0.19 0.02 -1.26 -4.97 114.94 108.78 1vrc s ASN 41 Ca 0.52 -1.71 0.06 0.00 -1.02 0.00 0.00 52.86 50.71 1vrc s ASN 41 Cb -0.10 0.61 0.79 0.00 0.02 0.00 0.00 41.25 42.56 1vrc s ASN 41 CO 0.41 -0.94 2.02 0.00 0.02 0.00 0.00 177.10 178.61 1vrc h ALA 42 N 1.51 1.69 -0.46 0.60 0.00 -1.99 -2.34 119.26 118.28 1vrc h ALA 42 Ca -0.39 -0.03 -0.07 0.00 0.00 0.00 0.00 54.91 54.42 1vrc h ALA 42 Cb 1.30 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.88 1vrc h ALA 42 CO 0.64 0.26 0.01 0.93 0.00 0.00 0.00 179.25 181.09 1vrc h GLU 43 N 0.67 0.74 -0.18 0.00 5.08 -1.97 0.14 114.58 119.05 1vrc h GLU 43 Ca 0.22 -0.19 -0.01 0.00 -1.00 0.00 0.00 59.36 58.37 1vrc h GLU 43 Cb 0.04 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.19 1vrc h GLU 43 CO -0.05 0.75 0.06 1.15 -1.00 0.00 0.00 179.01 179.92 1vrc h THR 44 N 0.70 1.18 -0.64 1.13 2.02 -1.84 -2.57 112.91 112.90 1vrc h THR 44 Ca 0.14 -0.56 -0.04 0.00 0.77 0.00 0.00 66.41 66.72 1vrc h THR 44 Cb 0.42 1.21 -0.03 0.00 -1.74 0.00 0.00 68.15 68.00 1vrc h THR 44 CO 0.02 0.18 0.25 -0.07 0.37 0.00 0.00 175.52 176.27 1vrc h LEU 45 N 0.13 0.85 -0.71 2.58 3.38 -0.92 -1.58 115.31 119.04 1vrc h LEU 45 Ca 0.06 -0.11 0.03 0.00 0.09 0.00 0.00 57.88 57.95 1vrc h LEU 45 Cb 0.22 -0.22 -0.04 0.00 0.09 0.00 0.00 40.66 40.70 1vrc h LEU 45 CO -0.00 0.76 0.44 0.40 0.09 0.00 0.00 178.44 180.13 1vrc h ILE 46 N 0.91 1.09 -0.62 1.22 2.04 -0.51 0.95 117.51 122.60 1vrc h ILE 46 Ca 0.22 -0.29 -0.03 0.00 1.00 0.00 0.00 64.86 65.76 1vrc h ILE 46 Cb 0.18 0.15 -0.03 0.00 -0.74 0.00 0.00 36.82 36.38 1vrc h ILE 46 CO -0.02 0.16 0.28 -0.33 0.00 0.00 0.00 178.15 178.24 1vrc h GLU 47 N 0.86 0.90 -0.52 2.37 4.39 -1.02 -0.12 114.58 121.44 1vrc h GLU 47 Ca 0.29 -0.14 -0.01 0.00 0.34 0.00 0.00 59.36 59.84 1vrc h GLU 47 Cb 0.03 -0.16 -0.02 0.00 -0.10 0.00 0.00 28.75 28.50 1vrc h GLU 47 CO -0.11 0.73 0.28 0.87 -1.16 0.00 0.00 179.01 179.62 1vrc h LYS 48 N 0.85 0.73 -0.40 2.33 1.57 -0.61 -0.67 116.57 120.37 1vrc h LYS 48 Ca 0.21 -0.09 -0.00 0.00 -1.87 0.00 0.00 60.65 58.90 1vrc h LYS 48 Cb 0.14 -0.14 -0.02 0.00 0.08 0.00 0.00 32.23 32.29 1vrc h LYS 48 CO -0.02 0.57 0.24 1.88 -0.57 0.00 0.00 179.45 181.54 1vrc h TYR 49 N 0.69 0.53 -1.00 -1.35 0.05 -0.48 -2.29 116.97 113.13 1vrc h TYR 49 Ca 0.18 -0.00 0.01 0.00 0.05 0.00 0.00 58.73 58.97 1vrc h TYR 49 Cb 0.05 -0.17 -0.05 0.00 1.01 0.00 0.00 36.73 37.57 1vrc h TYR 49 CO -0.02 0.39 0.66 -0.91 -1.05 0.00 0.00 178.16 177.23 1vrc h ASN 50 N 0.53 1.15 -0.30 3.88 2.35 -0.66 0.42 115.58 122.94 1vrc h ASN 50 Ca 0.14 -0.03 -0.06 0.00 -0.55 0.00 0.00 56.30 55.80 1vrc h ASN 50 Cb 0.01 -0.29 -0.02 0.00 0.05 0.00 0.00 38.32 38.07 1vrc h ASN 50 CO -0.03 0.84 -0.00 0.00 -1.65 0.00 0.00 177.43 176.59 1vrc h ALA 51 N 1.36 1.25 -0.23 -0.83 0.00 -1.00 -1.28 119.26 118.54 1vrc h ALA 51 Ca 0.37 -0.23 -0.10 0.00 0.00 0.00 0.00 54.91 54.94 1vrc h ALA 51 Cb -0.15 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 17.47 1vrc h ALA 51 CO -0.08 0.50 -0.27 1.96 0.00 0.00 0.00 179.25 181.37 1vrc h GLN 52 N 0.61 0.58 -0.81 0.00 1.08 -0.72 -3.23 115.11 112.62 1vrc h GLN 52 Ca 0.13 -0.32 0.02 0.00 -1.45 0.00 0.00 58.65 57.02 1vrc h GLN 52 Cb 0.39 0.02 -0.04 0.00 -0.05 0.00 0.00 27.48 27.79 1vrc h GLN 52 CO 0.01 0.92 0.54 -0.07 -0.95 0.00 0.00 178.83 179.28 1vrc h LEU 53 N 0.27 0.91 -2.05 1.46 3.38 -0.58 -1.74 115.31 116.96 1vrc h LEU 53 Ca 0.03 -0.02 0.11 0.00 0.09 0.00 0.00 57.88 58.09 1vrc h LEU 53 Cb 0.84 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 41.35 1vrc h LEU 53 CO 0.06 0.65 0.37 0.00 0.09 0.00 0.00 178.44 179.61 1vrc h ALA 54 N 1.50 2.08 -0.01 1.53 0.00 -1.25 0.13 119.26 123.25 1vrc h ALA 54 Ca 0.31 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.20 1vrc h ALA 54 Cb -0.07 0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.75 1vrc h ALA 54 CO -0.08 -0.55 -0.37 1.63 0.00 0.00 0.00 179.25 179.88 1vrc n LYS 55 N -3.83 1.06 -4.10 0.00 5.02 -0.66 -4.96 118.16 110.68 1vrc n LYS 55 Ca 0.06 -0.78 -0.24 0.00 -2.02 0.00 0.00 58.31 55.33 1vrc n LYS 55 Cb 0.53 -1.48 -0.05 0.00 -0.02 0.00 0.00 35.03 34.01 1vrc n LYS 55 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1vrc s LEU 56 N -2.48 3.81 -0.49 -0.35 1.43 0.47 -5.01 118.68 116.05 1vrc s LEU 56 Ca 0.21 -0.19 -0.22 0.00 -1.03 0.00 0.00 54.13 52.90 1vrc s LEU 56 Cb 0.19 -2.37 0.04 0.00 0.03 0.00 0.00 46.19 44.07 1vrc s LEU 56 CO 0.55 0.01 0.78 -0.62 0.23 0.00 0.00 176.35 177.30 1vrc s ASP 57 N -3.48 6.34 -0.11 2.29 -1.08 -1.26 -4.88 116.67 114.49 1vrc s ASP 57 Ca 0.32 -0.36 0.15 0.00 -0.52 0.00 0.00 52.55 52.14 1vrc s ASP 57 Cb -0.09 -2.37 0.54 0.00 -1.46 0.00 0.00 42.92 39.54 1vrc s ASP 57 CO 0.24 -0.98 1.46 0.35 0.52 0.00 0.00 175.17 176.75 1vrc n THR 58 N 6.02 1.80 0.01 1.71 -2.24 -1.26 -3.90 114.28 116.42 1vrc n THR 58 Ca -0.00 -1.39 0.00 0.00 -2.27 0.00 0.00 64.05 60.39 1vrc n THR 58 Cb 0.47 0.08 0.30 0.00 -2.10 0.00 0.00 70.33 69.09 1vrc n THR 58 CO 0.00 0.00 0.00 0.71 -0.57 0.00 0.00 175.07 175.21 1vrc h THR 59 N 2.71 1.19 -0.00 4.28 1.35 -1.89 -2.54 112.91 118.01 1vrc h THR 59 Ca 0.00 -0.78 0.00 0.00 -0.55 0.00 0.00 66.41 65.08 1vrc h THR 59 Cb 1.27 0.96 0.00 0.00 -1.73 0.00 0.00 68.15 68.65 1vrc h THR 59 CO 0.18 0.27 -0.56 0.29 -0.25 0.00 0.00 175.52 175.44 1vrc n LYS 60 N -4.28 0.10 0.00 4.72 5.02 -1.26 -5.06 118.16 117.40 1vrc n LYS 60 Ca 0.01 -0.06 0.00 0.00 -2.02 0.00 0.00 58.31 56.24 1vrc n LYS 60 Cb 0.25 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 33.76 1vrc n LYS 60 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1vrc n GLY 61 N 1.48 2.49 2.78 0.72 0.00 -0.96 -4.79 105.19 106.92 1vrc n GLY 61 Ca 0.06 -1.95 -0.15 0.00 0.00 0.00 0.00 46.02 43.98 1vrc n GLY 61 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1vrc s VAL 62 N -1.77 -0.01 -0.26 1.61 1.01 0.52 -1.68 120.40 119.82 1vrc s VAL 62 Ca 0.00 0.18 -0.01 0.00 0.00 0.00 0.00 61.98 62.15 1vrc s VAL 62 Cb 0.00 -0.12 0.04 0.00 0.00 0.00 0.00 36.38 36.29 1vrc s VAL 62 CO 0.00 0.10 -0.06 -0.22 0.00 0.00 0.00 175.10 174.92 1vrc s LEU 63 N 1.04 3.36 -0.22 3.92 2.96 -0.25 -1.56 118.68 127.92 1vrc s LEU 63 Ca -0.09 -1.03 -0.19 0.00 -0.22 0.00 0.00 54.13 52.60 1vrc s LEU 63 Cb -0.13 -1.65 -0.03 0.00 0.50 0.00 0.00 46.19 44.88 1vrc s LEU 63 CO -0.03 -0.16 0.57 -0.36 -1.32 0.00 0.00 176.35 175.05 1vrc s PHE 64 N 1.28 3.33 -0.28 5.38 0.40 -0.03 -1.49 117.98 126.57 1vrc s PHE 64 Ca -0.02 0.79 -0.06 0.00 -0.60 0.00 0.00 56.93 57.04 1vrc s PHE 64 Cb -0.18 -2.75 0.01 0.00 0.51 0.00 0.00 43.02 40.61 1vrc s PHE 64 CO -0.04 -0.21 0.05 -0.51 0.70 0.00 0.00 175.22 175.21 1vrc s LEU 65 N 2.05 3.69 0.32 -0.37 1.43 0.07 -0.96 118.68 124.91 1vrc s LEU 65 Ca 0.25 -0.70 0.10 0.00 -1.03 0.00 0.00 54.13 52.75 1vrc s LEU 65 Cb -0.16 -1.84 -0.06 0.00 0.03 0.00 0.00 46.19 44.16 1vrc s LEU 65 CO 0.09 -0.17 -0.13 0.68 0.23 0.00 0.00 176.35 177.06 1vrc s VAL 66 N 1.47 2.33 0.03 -1.59 -7.23 -0.08 -1.64 120.40 113.69 1vrc s VAL 66 Ca 0.02 -2.27 -0.26 0.00 -1.81 0.00 0.00 61.98 57.66 1vrc s VAL 66 Cb -0.17 -2.53 -0.17 0.00 0.56 0.00 0.00 36.38 34.07 1vrc s VAL 66 CO 0.01 -0.27 1.37 -2.24 -0.31 0.00 0.00 175.10 173.67 1vrc h ASP 67 N 2.10 -0.36 -5.02 4.85 2.03 -1.78 -1.49 116.42 116.76 1vrc h ASP 67 Ca -0.41 -0.13 -0.15 0.00 -0.73 0.00 0.00 57.03 55.60 1vrc h ASP 67 Cb 1.25 0.09 -0.20 0.00 -0.83 0.00 0.00 39.33 39.65 1vrc h ASP 67 CO 0.67 -0.06 -0.60 0.42 -1.03 0.00 0.00 179.24 178.64 1vrc s THR 68 N -5.09 0.11 0.23 1.15 -4.23 -1.26 -1.64 115.64 104.91 1vrc s THR 68 Ca -0.15 -0.93 -0.30 0.00 -1.18 0.00 0.00 61.69 59.13 1vrc s THR 68 Cb 0.03 -0.51 -0.10 0.00 1.34 0.00 0.00 72.50 73.26 1vrc s THR 68 CO 0.58 -0.51 1.41 0.86 -0.54 0.00 0.00 174.62 176.42 1vrc s TRP 69 N -1.79 3.08 0.00 3.99 -0.11 -1.26 -3.16 118.94 119.69 1vrc s TRP 69 Ca -0.12 1.05 0.00 0.00 1.22 0.00 0.00 56.10 58.25 1vrc s TRP 69 Cb -0.07 -3.77 0.00 0.00 -1.50 0.00 0.00 33.47 28.13 1vrc s TRP 69 CO -0.01 -2.51 0.00 0.41 -4.62 0.00 0.00 176.95 170.22 1vrc n GLY 70 N 2.33 2.04 3.90 5.86 0.00 -1.26 -5.05 105.19 113.01 1vrc n GLY 70 Ca 0.07 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.80 1vrc n GLY 70 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1vrc s GLY 71 N -1.96 1.70 0.15 -0.02 0.00 -1.19 -4.74 107.32 101.26 1vrc s GLY 71 Ca 0.00 -0.97 -0.17 0.00 0.00 0.00 0.00 44.72 43.58 1vrc s GLY 71 CO 0.00 -0.30 1.75 1.76 0.00 0.00 0.00 173.10 176.31 1vrc h SER 72 N -1.49 0.13 -0.90 1.64 0.02 -1.97 0.25 113.55 111.23 1vrc h SER 72 Ca -0.45 0.04 0.13 0.00 -0.84 0.00 0.00 61.79 60.66 1vrc h SER 72 Cb 1.27 0.02 -0.09 0.00 0.14 0.00 0.00 62.40 63.75 1vrc h SER 72 CO 0.48 0.11 0.52 -0.65 -1.14 0.00 0.00 176.83 176.15 1vrc h PRO 73 N 0.26 0.76 -0.09 3.45 0.11 -1.93 0.17 132.00 134.73 1vrc h PRO 73 Ca 0.15 -0.05 -0.02 0.00 0.11 0.00 0.00 66.00 66.19 1vrc h PRO 73 Cb 0.12 -0.17 -0.00 0.00 0.11 0.00 0.00 31.00 31.05 1vrc h PRO 73 CO -0.15 0.50 -0.02 0.35 -0.21 0.00 0.00 178.00 178.47 1vrc h PHE 74 N 0.78 0.19 -0.74 0.65 3.57 -1.58 -2.47 116.94 117.36 1vrc h PHE 74 Ca 0.47 -0.04 0.01 0.00 3.53 0.00 0.00 57.97 61.93 1vrc h PHE 74 Cb 0.56 -0.05 -0.04 0.00 2.79 0.00 0.00 35.95 39.22 1vrc h PHE 74 CO -0.05 0.48 0.48 -0.91 -2.23 0.00 0.00 178.31 176.09 1vrc h ASN 75 N -0.15 0.85 -0.39 0.41 4.21 0.02 0.06 115.58 120.59 1vrc h ASN 75 Ca 0.02 -0.03 -0.07 0.00 1.21 0.00 0.00 56.30 57.44 1vrc h ASN 75 Cb 0.42 -0.21 -0.01 0.00 -1.12 0.00 0.00 38.32 37.39 1vrc h ASN 75 CO 0.01 0.62 -0.01 0.00 -1.29 0.00 0.00 177.43 176.76 1vrc h ALA 76 N 1.27 0.52 -0.79 -0.83 0.00 -1.01 -2.58 119.26 115.85 1vrc h ALA 76 Ca 0.27 -0.26 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 1vrc h ALA 76 Cb -0.11 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 17.50 1vrc h ALA 76 CO -0.06 0.31 0.39 0.00 0.00 0.00 0.00 179.25 179.90 1vrc h ALA 77 N 0.87 1.22 -0.99 0.00 0.00 -1.07 -2.49 119.26 116.79 1vrc h ALA 77 Ca 0.11 -0.14 0.04 0.00 0.00 0.00 0.00 54.91 54.91 1vrc h ALA 77 Cb 0.49 -0.31 -0.06 0.00 0.00 0.00 0.00 17.79 17.91 1vrc h ALA 77 CO 0.02 0.61 0.65 0.77 0.00 0.00 0.00 179.25 181.30 1vrc h SER 78 N 1.11 1.08 0.38 0.00 0.02 -0.79 -1.92 113.55 113.44 1vrc h SER 78 Ca 0.27 -0.01 -0.07 0.00 -0.84 0.00 0.00 61.79 61.14 1vrc h SER 78 Cb 0.08 -0.25 -0.01 0.00 0.14 0.00 0.00 62.40 62.36 1vrc h SER 78 CO -0.04 0.74 -0.35 0.03 -1.14 0.00 0.00 176.83 176.08 1vrc h ARG 79 N 1.26 0.00 0.07 3.45 3.08 -1.05 -2.81 114.38 118.37 1vrc h ARG 79 Ca 0.40 0.00 -0.23 0.00 0.07 0.00 0.00 59.98 60.21 1vrc h ARG 79 Cb 0.00 0.00 0.02 0.00 0.08 0.00 0.00 29.97 30.07 1vrc h ARG 79 CO -0.12 0.35 -0.95 0.82 -1.07 0.00 0.00 179.97 179.00 1vrc h ILE 80 N 0.00 1.36 0.00 2.04 2.04 -1.21 -3.34 117.51 118.41 1vrc h ILE 80 Ca -0.00 -2.32 0.00 0.00 1.00 0.00 0.00 64.86 63.54 1vrc h ILE 80 Cb 0.63 2.70 0.00 0.00 -0.74 0.00 0.00 36.82 39.41 1vrc h ILE 80 CO 0.05 0.69 -0.01 -0.37 0.00 0.00 0.00 178.15 178.50 1vrc h VAL 81 N 0.08 0.00 -0.47 1.67 -1.51 -1.39 -3.42 116.25 111.21 1vrc h VAL 81 Ca -0.14 -0.68 0.06 0.00 -1.23 0.00 0.00 66.70 64.72 1vrc h VAL 81 Cb 1.65 1.67 -0.07 0.00 -2.13 0.00 0.00 31.29 32.42 1vrc h VAL 81 CO 0.18 0.00 -0.21 1.33 -1.23 0.00 0.00 177.57 177.64 1vrc n VAL 82 N -2.58 -0.27 -2.22 7.19 0.24 -1.06 -1.42 118.33 118.20 1vrc n VAL 82 Ca 0.05 1.11 -0.16 0.00 -2.04 0.00 0.00 64.34 63.29 1vrc n VAL 82 Cb 0.47 -1.43 0.04 0.00 -1.47 0.00 0.00 33.84 31.44 1vrc n VAL 82 CO 0.00 0.00 0.00 0.47 -2.14 0.00 0.00 176.83 175.16 1vrc n ASP 83 N -4.65 3.87 -4.45 -1.34 9.92 -1.26 -5.02 116.55 113.60 1vrc n ASP 83 Ca 0.04 -3.28 -0.33 0.00 -0.53 0.00 0.00 54.79 50.69 1vrc n ASP 83 Cb 0.17 -0.38 -0.13 0.00 -0.64 0.00 0.00 41.12 40.13 1vrc n ASP 83 CO 0.00 0.00 0.00 -0.54 0.13 0.00 0.00 177.20 176.79 1vrc s LYS 84 N -3.59 3.17 0.28 -1.24 3.01 -0.51 -5.09 119.74 115.77 1vrc s LYS 84 Ca 0.44 -0.63 -0.28 0.00 -1.01 0.00 0.00 55.97 54.49 1vrc s LYS 84 Cb 0.38 -2.64 -0.09 0.00 -1.01 0.00 0.00 37.83 34.47 1vrc s LYS 84 CO 0.01 0.38 0.98 -2.00 0.51 0.00 0.00 175.35 175.23 1vrc s GLU 85 N -0.05 4.69 -1.42 1.68 2.12 -1.26 -3.59 118.70 120.88 1vrc s GLU 85 Ca -0.01 1.51 -0.03 0.00 0.36 0.00 0.00 54.97 56.80 1vrc s GLU 85 Cb -0.14 -3.09 0.00 0.00 0.26 0.00 0.00 34.13 31.17 1vrc s GLU 85 CO 0.03 0.35 0.40 0.72 -0.54 0.00 0.00 175.26 176.22 1vrc n HIS 86 N 1.08 -1.50 -4.68 5.30 8.25 -1.26 -4.87 115.22 117.54 1vrc n HIS 86 Ca -0.00 0.34 -0.25 0.00 -0.26 0.00 0.00 57.72 57.54 1vrc n HIS 86 Cb 0.47 -3.96 -0.16 0.00 1.12 0.00 0.00 29.99 27.46 1vrc n HIS 86 CO 0.00 0.00 0.00 0.71 0.64 0.00 0.00 176.34 177.69 1vrc s TYR 87 N -3.05 1.59 0.04 4.41 1.51 -1.24 -0.36 117.35 120.25 1vrc s TYR 87 Ca 0.20 -0.57 -0.09 0.00 -1.01 0.00 0.00 57.07 55.59 1vrc s TYR 87 Cb -0.09 -1.13 0.00 0.00 -0.11 0.00 0.00 41.96 40.63 1vrc s TYR 87 CO 0.24 -0.27 0.19 -2.00 -1.11 0.00 0.00 175.55 172.61 1vrc s GLU 88 N 0.53 0.69 -0.10 -0.62 2.56 -0.60 -4.93 118.70 116.22 1vrc s GLU 88 Ca -0.13 -0.63 0.03 0.00 0.00 0.00 0.00 54.97 54.24 1vrc s GLU 88 Cb -0.15 0.28 0.01 0.00 2.00 0.00 0.00 34.13 36.27 1vrc s GLU 88 CO 0.04 -0.20 -0.21 0.08 -0.56 0.00 0.00 175.26 174.41 1vrc s VAL 89 N -2.54 1.87 -0.16 3.70 1.01 -1.26 -0.85 120.40 122.18 1vrc s VAL 89 Ca -0.05 -0.89 0.00 0.00 0.00 0.00 0.00 61.98 61.04 1vrc s VAL 89 Cb -0.01 -1.64 0.02 0.00 0.00 0.00 0.00 36.38 34.75 1vrc s VAL 89 CO -0.04 0.52 -0.14 -0.63 0.00 0.00 0.00 175.10 174.81 1vrc s ILE 90 N 0.55 1.62 0.60 2.22 1.01 -0.13 -4.98 121.20 122.09 1vrc s ILE 90 Ca -0.15 -0.69 -0.07 0.00 0.00 0.00 0.00 60.65 59.74 1vrc s ILE 90 Cb -0.17 -1.53 -0.00 0.00 0.01 0.00 0.00 42.46 40.77 1vrc s ILE 90 CO 0.05 0.44 0.93 0.00 0.00 0.00 0.00 174.94 176.36 1vrc s ALA 91 N 1.46 3.21 0.00 9.38 0.00 -1.26 -0.90 121.76 133.66 1vrc s ALA 91 Ca 0.04 -0.52 0.00 0.00 0.00 0.00 0.00 51.96 51.49 1vrc s ALA 91 Cb -0.13 -2.74 0.00 0.00 0.00 0.00 0.00 23.12 20.25 1vrc s ALA 91 CO -0.11 -0.77 0.00 0.41 0.00 0.00 0.00 175.76 175.29 1vrc n GLY 92 N -2.63 0.47 3.59 0.00 0.00 -0.62 -4.87 105.19 101.13 1vrc n GLY 92 Ca 0.04 -0.92 -0.50 0.00 0.00 0.00 0.00 46.02 44.65 1vrc n GLY 92 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 1vrc n VAL 93 N -3.29 0.56 -4.16 1.61 3.14 -0.85 -4.98 118.33 110.36 1vrc n VAL 93 Ca 0.00 -0.14 -0.11 0.00 -2.96 0.00 0.00 64.34 61.13 1vrc n VAL 93 Cb 0.21 -0.89 -0.09 0.00 -1.06 0.00 0.00 33.84 32.01 1vrc n VAL 93 CO 0.00 0.00 0.00 0.54 -6.46 0.00 0.00 176.83 170.91 1vrc s ASN 94 N 0.20 0.12 0.19 6.55 2.20 -1.26 -4.92 114.94 118.04 1vrc s ASN 94 Ca 0.77 -1.30 -0.12 0.00 -0.94 0.00 0.00 52.86 51.28 1vrc s ASN 94 Cb -0.87 0.41 0.12 0.00 -2.00 0.00 0.00 41.25 38.91 1vrc s ASN 94 CO 0.50 -0.88 1.86 0.40 -2.94 0.00 0.00 177.10 176.04 1vrc h ILE 95 N 2.58 1.18 -0.75 0.54 1.08 -1.95 -1.45 117.51 118.74 1vrc h ILE 95 Ca -0.34 -0.34 0.05 0.00 -0.39 0.00 0.00 64.86 63.83 1vrc h ILE 95 Cb 1.25 0.21 -0.05 0.00 -3.07 0.00 0.00 36.82 35.15 1vrc h ILE 95 CO 0.51 0.17 0.45 -0.65 -0.69 0.00 0.00 178.15 177.94 1vrc h PRO 96 N 0.91 0.82 -0.10 2.37 0.11 -1.93 0.18 132.00 134.35 1vrc h PRO 96 Ca 0.24 -0.05 -0.00 0.00 0.11 0.00 0.00 66.00 66.30 1vrc h PRO 96 Cb -0.09 -0.19 -0.00 0.00 0.11 0.00 0.00 31.00 30.83 1vrc h PRO 96 CO -0.05 0.54 0.05 1.98 -0.21 0.00 0.00 178.00 180.32 1vrc h MET 97 N 0.85 0.14 -0.20 1.05 1.85 -1.69 -1.38 114.93 115.54 1vrc h MET 97 Ca 0.32 -0.02 0.00 0.00 -0.61 0.00 0.00 59.70 59.39 1vrc h MET 97 Cb 0.12 -0.03 -0.01 0.00 0.43 0.00 0.00 31.60 32.12 1vrc h MET 97 CO -0.15 0.17 0.13 1.25 -0.40 0.00 0.00 176.91 177.91 1vrc h LEU 98 N 0.07 0.23 -0.02 3.39 5.85 -0.66 -1.40 115.31 122.78 1vrc h LEU 98 Ca 0.04 -0.03 -0.00 0.00 0.84 0.00 0.00 57.88 58.73 1vrc h LEU 98 Cb 0.07 -0.06 -0.00 0.00 0.37 0.00 0.00 40.66 41.05 1vrc h LEU 98 CO -0.01 0.19 0.01 0.58 -0.34 0.00 0.00 178.44 178.88 1vrc h VAL 99 N 0.25 1.07 -0.74 1.05 2.07 -0.92 -0.86 116.25 118.17 1vrc h VAL 99 Ca 0.07 -0.20 -0.05 0.00 0.82 0.00 0.00 66.70 67.35 1vrc h VAL 99 Cb -0.00 1.17 -0.03 0.00 -1.52 0.00 0.00 31.29 30.90 1vrc h VAL 99 CO -0.01 0.05 0.27 -0.08 0.02 0.00 0.00 177.57 177.82 1vrc h GLU 100 N -0.05 1.12 -0.24 1.57 4.22 -1.23 -1.20 114.58 118.77 1vrc h GLU 100 Ca 0.01 -0.22 -0.04 0.00 0.08 0.00 0.00 59.36 59.19 1vrc h GLU 100 Cb 0.08 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.15 1vrc h GLU 100 CO -0.00 0.93 -0.00 1.15 -2.18 0.00 0.00 179.01 178.91 1vrc h THR 101 N 1.07 1.26 -0.56 0.32 2.02 -1.17 -1.25 112.91 114.59 1vrc h THR 101 Ca 0.24 -0.91 -0.06 0.00 0.77 0.00 0.00 66.41 66.45 1vrc h THR 101 Cb 0.25 1.38 -0.02 0.00 -1.74 0.00 0.00 68.15 68.02 1vrc h THR 101 CO -0.01 0.28 0.09 -0.07 0.37 0.00 0.00 175.52 176.18 1vrc h LEU 102 N 0.19 0.85 -0.26 2.58 3.38 -1.07 -1.79 115.31 119.19 1vrc h LEU 102 Ca 0.07 -0.18 -0.04 0.00 0.09 0.00 0.00 57.88 57.82 1vrc h LEU 102 Cb 0.42 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.93 1vrc h LEU 102 CO 0.01 0.85 0.00 -0.03 0.09 0.00 0.00 178.44 179.37 1vrc h MET 103 N 0.85 0.46 -0.20 1.13 4.05 -1.02 -3.17 114.93 117.04 1vrc h MET 103 Ca 0.18 -0.15 -0.10 0.00 -0.28 0.00 0.00 59.70 59.35 1vrc h MET 103 Cb 0.37 -0.04 -0.01 0.00 -0.80 0.00 0.00 31.60 31.12 1vrc h MET 103 CO 0.01 0.63 -0.30 0.00 0.23 0.00 0.00 176.91 177.47 1vrc h ALA 104 N 0.82 1.12 -0.82 0.39 0.00 -1.12 -3.12 119.26 116.53 1vrc h ALA 104 Ca 0.07 -0.36 0.20 0.00 0.00 0.00 0.00 54.91 54.83 1vrc h ALA 104 Cb 0.42 -0.11 -0.05 0.00 0.00 0.00 0.00 17.79 18.05 1vrc h ALA 104 CO 0.01 0.56 0.56 -0.09 0.00 0.00 0.00 179.25 180.29 1vrc h ARG 105 N 0.34 0.23 0.00 0.00 2.43 -1.29 -0.45 114.38 115.63 1vrc h ARG 105 Ca 0.05 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.20 1vrc h ARG 105 Cb 0.71 -0.05 0.00 0.00 -0.42 0.00 0.00 29.97 30.21 1vrc h ARG 105 CO 0.05 0.15 0.00 -0.44 -1.51 0.00 0.00 179.97 178.22 1vrc h ASP 106 N 0.23 0.00 -0.33 -3.80 3.32 -1.64 -2.68 116.42 111.53 1vrc h ASP 106 Ca 0.41 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.46 1vrc h ASP 106 Cb 1.24 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.79 1vrc h ASP 106 CO -0.09 0.00 0.00 -0.90 -1.72 0.00 0.00 179.24 176.53 1vrc n ASP 107 N -3.02 3.31 -3.85 6.45 5.68 -0.18 -4.93 116.55 120.02 1vrc n ASP 107 Ca 0.02 -2.41 -0.35 0.00 -0.50 0.00 0.00 54.79 51.54 1vrc n ASP 107 Cb 0.38 -0.54 0.03 0.00 -1.14 0.00 0.00 41.12 39.84 1vrc n ASP 107 CO 0.00 0.00 0.00 -0.67 -1.33 0.00 0.00 177.20 175.20 1vrc n ASP 108 N 0.40 -4.20 -4.77 -1.12 2.03 -1.01 -4.98 116.55 102.89 1vrc n ASP 108 Ca 0.15 -1.11 -0.29 0.00 0.52 0.00 0.00 54.79 54.06 1vrc n ASP 108 Cb 0.69 -2.80 0.13 0.00 -0.72 0.00 0.00 41.12 38.42 1vrc n ASP 108 CO 0.00 0.00 0.00 -2.16 -1.92 0.00 0.00 177.20 173.12 1vrc s PRO 109 N -6.51 1.27 0.72 -0.67 0.04 -1.26 -5.03 135.00 123.56 1vrc s PRO 109 Ca 0.41 0.43 -0.11 0.00 0.04 0.00 0.00 61.00 61.77 1vrc s PRO 109 Cb -0.17 -1.84 0.02 0.00 0.04 0.00 0.00 34.50 32.55 1vrc s PRO 109 CO 0.90 -2.14 1.08 -1.54 0.04 0.00 0.00 177.00 175.34 1vrc s SER 110 N -3.89 5.25 0.12 6.66 1.04 -1.26 -4.86 113.70 116.76 1vrc s SER 110 Ca 0.63 1.35 -0.22 0.00 0.48 0.00 0.00 55.95 58.19 1vrc s SER 110 Cb -0.15 -2.19 -0.05 0.00 0.10 0.00 0.00 66.02 63.73 1vrc s SER 110 CO 0.54 -1.49 1.68 0.15 0.98 0.00 0.00 173.24 175.10 1vrc h PHE 111 N -0.76 -0.31 -0.82 5.02 3.57 -1.96 -1.30 116.94 120.39 1vrc h PHE 111 Ca -0.45 0.02 0.04 0.00 3.53 0.00 0.00 57.97 61.11 1vrc h PHE 111 Cb 1.24 0.15 -0.05 0.00 2.79 0.00 0.00 35.95 40.08 1vrc h PHE 111 CO 0.54 -0.18 0.54 -0.44 -2.23 0.00 0.00 178.31 176.54 1vrc h ASP 112 N -0.17 0.85 -0.26 0.41 3.32 -1.99 -1.11 116.42 117.48 1vrc h ASP 112 Ca 0.07 -0.01 -0.01 0.00 0.02 0.00 0.00 57.03 57.10 1vrc h ASP 112 Cb 0.27 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 39.61 1vrc h ASP 112 CO -0.18 0.58 0.12 -0.33 -1.72 0.00 0.00 179.24 177.71 1vrc h GLU 113 N 0.99 0.38 -0.30 3.56 5.08 -1.83 -2.02 114.58 120.43 1vrc h GLU 113 Ca 0.33 -0.06 -0.03 0.00 -1.00 0.00 0.00 59.36 58.60 1vrc h GLU 113 Cb 0.07 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.25 1vrc h GLU 113 CO -0.10 0.39 0.08 1.25 -1.00 0.00 0.00 179.01 179.63 1vrc h LEU 114 N 0.28 0.45 -0.30 1.33 5.85 -0.49 -1.37 115.31 121.06 1vrc h LEU 114 Ca 0.09 -0.22 0.04 0.00 0.84 0.00 0.00 57.88 58.63 1vrc h LEU 114 Cb 0.14 -0.12 -0.04 0.00 0.37 0.00 0.00 40.66 41.02 1vrc h LEU 114 CO -0.01 0.56 0.07 0.58 -0.34 0.00 0.00 178.44 179.30 1vrc h VAL 115 N 0.33 0.88 -0.58 1.05 2.07 -1.23 -0.05 116.25 118.72 1vrc h VAL 115 Ca 0.10 -0.07 0.01 0.00 0.82 0.00 0.00 66.70 67.56 1vrc h VAL 115 Cb 0.27 0.67 -0.03 0.00 -1.52 0.00 0.00 31.29 30.69 1vrc h VAL 115 CO -0.00 0.03 0.38 0.00 0.02 0.00 0.00 177.57 178.00 1vrc h ALA 116 N 1.21 0.73 -0.61 1.67 0.00 -1.26 -2.51 119.26 118.49 1vrc h ALA 116 Ca 0.14 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.99 1vrc h ALA 116 Cb 0.13 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.67 1vrc h ALA 116 CO -0.17 0.16 0.30 1.25 0.00 0.00 0.00 179.25 180.79 1vrc h LEU 117 N 0.78 0.79 -0.49 0.00 5.85 -0.92 -1.52 115.31 119.79 1vrc h LEU 117 Ca 0.21 -0.12 0.00 0.00 0.84 0.00 0.00 57.88 58.81 1vrc h LEU 117 Cb -0.08 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 40.72 1vrc h LEU 117 CO -0.05 0.69 0.32 0.00 -0.34 0.00 0.00 178.44 179.06 1vrc h ALA 118 N 1.13 0.62 -0.24 1.25 0.00 -0.69 -0.20 119.26 121.13 1vrc h ALA 118 Ca 0.21 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 55.05 1vrc h ALA 118 Cb 0.10 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 1vrc h ALA 118 CO -0.03 0.08 0.03 0.28 0.00 0.00 0.00 179.25 179.60 1vrc h VAL 119 N 0.66 1.24 -0.37 0.00 2.07 -1.39 -1.48 116.25 116.98 1vrc h VAL 119 Ca 0.18 -0.81 -0.03 0.00 0.82 0.00 0.00 66.70 66.87 1vrc h VAL 119 Cb -0.06 1.30 -0.02 0.00 -1.52 0.00 0.00 31.29 30.99 1vrc h VAL 119 CO -0.04 0.25 0.13 -0.08 0.02 0.00 0.00 177.57 177.86 1vrc h GLU 120 N 0.20 0.56 -0.07 1.57 4.81 -1.10 -2.10 114.58 118.45 1vrc h GLU 120 Ca 0.07 -0.11 -0.14 0.00 -0.13 0.00 0.00 59.36 59.05 1vrc h GLU 120 Cb 0.35 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 29.63 1vrc h GLU 120 CO 0.01 0.56 -0.57 1.79 -0.73 0.00 0.00 179.01 180.07 1vrc h THR 121 N 0.45 1.38 -0.38 0.32 1.35 -1.07 -0.71 112.91 114.25 1vrc h THR 121 Ca 0.12 -1.91 -0.01 0.00 -0.55 0.00 0.00 66.41 64.06 1vrc h THR 121 Cb 0.22 1.96 -0.02 0.00 -1.73 0.00 0.00 68.15 68.58 1vrc h THR 121 CO -0.01 0.56 0.18 1.23 -0.25 0.00 0.00 175.52 177.24 1vrc h GLY 122 N 1.46 0.58 1.00 5.82 0.00 -1.14 -1.02 103.07 109.78 1vrc h GLY 122 Ca -0.00 -0.28 -0.16 0.00 0.00 0.00 0.00 47.33 46.88 1vrc h GLY 122 CO 0.09 0.27 -0.53 3.21 0.00 0.00 0.00 176.54 179.58 1vrc h ARG 123 N 0.47 0.67 0.00 4.80 3.08 -1.26 -3.08 114.38 119.06 1vrc h ARG 123 Ca 0.13 -0.48 -0.00 0.00 0.07 0.00 0.00 59.98 59.69 1vrc h ARG 123 Cb 0.11 0.08 -0.00 0.00 0.08 0.00 0.00 29.97 30.24 1vrc h ARG 123 CO -0.02 1.10 -0.01 0.93 -1.07 0.00 0.00 179.97 180.90 1vrc h GLU 124 N 0.36 0.00 0.00 0.04 5.08 -1.10 -2.63 114.58 116.33 1vrc h GLU 124 Ca -0.02 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.34 1vrc h GLU 124 Cb 1.15 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.40 1vrc h GLU 124 CO 0.11 0.01 0.00 0.78 -1.00 0.00 0.00 179.01 178.92 1vrc h GLY 125 N 2.08 0.00 -6.85 -3.84 0.00 -1.08 -3.41 103.07 89.97 1vrc h GLY 125 Ca -0.00 0.00 -0.62 0.00 0.00 0.00 0.00 47.33 46.71 1vrc h GLY 125 CO 0.00 0.00 0.28 0.14 0.00 0.00 0.00 176.54 176.96 1vrc s VAL 126 N -3.40 4.77 -0.23 4.60 1.01 -0.99 -4.97 120.40 121.19 1vrc s VAL 126 Ca 0.04 0.62 -0.18 0.00 0.00 0.00 0.00 61.98 62.46 1vrc s VAL 126 Cb 0.09 -4.20 0.06 0.00 0.00 0.00 0.00 36.38 32.34 1vrc s VAL 126 CO 0.48 -0.48 0.58 -0.54 0.00 0.00 0.00 175.10 175.14 1vrc s LYS 127 N 3.01 0.65 0.10 2.72 1.02 -1.26 -5.05 119.74 120.93 1vrc s LYS 127 Ca 0.28 0.89 -0.08 0.00 0.02 0.00 0.00 55.97 57.08 1vrc s LYS 127 Cb -0.13 0.25 -0.06 0.00 -0.52 0.00 0.00 37.83 37.37 1vrc s LYS 127 CO 0.18 -0.10 0.39 0.00 -0.92 0.00 0.00 175.35 174.90 1vrc s ALA 128 N 0.70 3.74 0.01 5.17 0.00 -1.26 -5.04 121.76 125.08 1vrc s ALA 128 Ca -0.03 -0.44 -0.25 0.00 0.00 0.00 0.00 51.96 51.24 1vrc s ALA 128 Cb -0.05 -2.23 -0.14 0.00 0.00 0.00 0.00 23.12 20.70 1vrc s ALA 128 CO -0.05 0.60 1.08 1.25 0.00 0.00 0.00 175.76 178.63 1vrc h LEU 129 N 3.43 -0.68 -0.52 0.00 5.85 -2.04 -3.56 115.31 117.79 1vrc h LEU 129 Ca -0.48 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.22 1vrc h LEU 129 Cb 1.18 0.18 0.00 0.00 0.37 0.00 0.00 40.66 42.39 1vrc h LEU 129 CO 0.68 -0.30 0.00 0.29 -0.34 0.00 0.00 178.44 178.78