#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1vre s LEU 2 N 0.00 3.59 0.38 0.99 2.01 -1.26 -5.04 118.68 119.35 1vre s LEU 2 Ca 0.00 0.03 0.07 0.00 0.01 0.00 0.00 54.13 54.23 1vre s LEU 2 Cb 0.00 -2.94 0.00 0.00 0.01 0.00 0.00 46.19 43.26 1vre s LEU 2 CO 0.00 -0.80 0.53 -0.94 1.01 0.00 0.00 176.35 176.15 1vre s SER 3 N -4.29 5.81 0.61 2.29 1.04 -1.26 -4.81 113.70 113.09 1vre s SER 3 Ca 0.51 -0.26 0.35 0.00 0.48 0.00 0.00 55.95 57.04 1vre s SER 3 Cb -0.10 -0.99 1.98 0.00 0.10 0.00 0.00 66.02 67.01 1vre s SER 3 CO 0.36 -0.61 2.26 0.00 0.98 0.00 0.00 173.24 176.24 1vre h ALA 4 N 0.74 1.26 0.03 5.32 0.00 -1.99 0.16 119.26 124.77 1vre h ALA 4 Ca -0.43 -0.02 -0.23 0.00 0.00 0.00 0.00 54.91 54.23 1vre h ALA 4 Cb 1.27 -0.00 -0.03 0.00 0.00 0.00 0.00 17.79 19.03 1vre h ALA 4 CO 0.50 0.02 -1.25 0.00 0.00 0.00 0.00 179.25 178.52 1vre h ALA 5 N 1.98 0.25 0.27 0.00 0.00 -1.99 -3.27 119.26 116.51 1vre h ALA 5 Ca -0.00 -1.16 -0.01 0.00 0.00 0.00 0.00 54.91 53.74 1vre h ALA 5 Cb 0.08 0.64 0.00 0.00 0.00 0.00 0.00 17.79 18.51 1vre h ALA 5 CO 0.00 0.73 -0.13 1.96 0.00 0.00 0.00 179.25 181.81 1vre h GLN 6 N -0.79 -0.35 -1.00 0.00 4.20 -1.88 -1.20 115.11 114.09 1vre h GLN 6 Ca -0.32 0.02 0.27 0.00 0.06 0.00 0.00 58.65 58.68 1vre h GLN 6 Cb 1.42 0.08 -0.06 0.00 0.30 0.00 0.00 27.48 29.22 1vre h GLN 6 CO -0.13 -0.04 0.69 -0.09 -0.67 0.00 0.00 178.83 178.59 1vre h ARG 7 N -0.70 0.16 -0.00 1.46 2.43 -0.90 0.17 114.38 117.00 1vre h ARG 7 Ca -0.04 -0.01 -0.16 0.00 -0.81 0.00 0.00 59.98 58.96 1vre h ARG 7 Cb 0.48 -0.04 0.01 0.00 -0.42 0.00 0.00 29.97 30.01 1vre h ARG 7 CO 0.06 0.11 -0.64 1.96 -1.51 0.00 0.00 179.97 179.95 1vre h GLN 8 N 0.17 0.44 -0.25 0.20 1.08 -1.55 -3.12 115.11 112.08 1vre h GLN 8 Ca 0.51 -0.47 -0.02 0.00 -1.45 0.00 0.00 58.65 57.22 1vre h GLN 8 Cb 1.69 0.13 -0.01 0.00 -0.05 0.00 0.00 27.48 29.24 1vre h GLN 8 CO -0.11 1.12 0.08 0.28 -0.95 0.00 0.00 178.83 179.25 1vre h VAL 9 N -0.06 1.12 -0.38 -0.54 2.07 0.48 -1.30 116.25 117.64 1vre h VAL 9 Ca -0.08 -0.39 -0.01 0.00 0.82 0.00 0.00 66.70 67.04 1vre h VAL 9 Cb 1.34 0.84 -0.02 0.00 -1.52 0.00 0.00 31.29 31.94 1vre h VAL 9 CO 0.13 0.14 0.19 0.58 0.02 0.00 0.00 177.57 178.63 1vre h VAL 10 N 0.35 1.16 0.00 2.57 2.07 -0.93 -1.32 116.25 120.16 1vre h VAL 10 Ca 0.09 -0.46 0.00 0.00 0.82 0.00 0.00 66.70 67.15 1vre h VAL 10 Cb 0.12 0.77 0.00 0.00 -1.52 0.00 0.00 31.29 30.65 1vre h VAL 10 CO -0.01 0.17 0.00 0.00 0.02 0.00 0.00 177.57 177.76 1vre h ALA 11 N 1.04 1.00 0.00 1.67 0.00 -1.35 -2.03 119.26 119.60 1vre h ALA 11 Ca 0.13 0.00 -0.10 0.00 0.00 0.00 0.00 54.91 54.94 1vre h ALA 11 Cb 0.10 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 1vre h ALA 11 CO -0.02 0.00 -0.78 0.77 0.00 0.00 0.00 179.25 179.22 1vre h SER 12 N 0.00 0.00 0.00 0.00 0.02 -0.29 -3.13 113.55 110.15 1vre h SER 12 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1vre h SER 12 Cb 0.56 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.10 1vre h SER 12 CO 0.00 0.40 -1.23 0.35 -1.14 0.00 0.00 176.83 175.21 1vre n THR 13 N -3.04 0.00 0.01 -2.27 -2.24 -0.59 -4.29 114.28 101.86 1vre n THR 13 Ca -0.02 -0.13 -0.04 0.00 -2.27 0.00 0.00 64.05 61.59 1vre n THR 13 Cb 0.72 0.75 -0.11 0.00 -2.10 0.00 0.00 70.33 69.59 1vre n THR 13 CO 0.00 0.00 0.00 -0.25 -0.57 0.00 0.00 175.07 174.25 1vre h TRP 14 N 0.00 0.00 0.00 4.78 7.01 -1.46 -3.09 115.95 123.19 1vre h TRP 14 Ca 0.00 0.00 0.00 0.00 2.11 0.00 0.00 58.89 61.00 1vre h TRP 14 Cb 0.61 0.00 0.00 0.00 -2.10 0.00 0.00 29.16 27.67 1vre h TRP 14 CO 0.00 0.77 0.00 1.63 -2.79 0.00 0.00 178.44 178.05 1vre n LYS 15 N -2.97 0.01 -0.06 2.65 5.02 -1.18 -2.01 118.16 119.62 1vre n LYS 15 Ca -0.12 0.13 -0.07 0.00 -2.02 0.00 0.00 58.31 56.23 1vre n LYS 15 Cb 0.93 -1.50 -0.02 0.00 -0.02 0.00 0.00 35.03 34.42 1vre n LYS 15 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 1vre n ASP 16 N -1.49 1.61 -0.33 4.39 2.03 -1.24 -3.62 116.55 117.88 1vre n ASP 16 Ca 0.05 0.27 0.01 0.00 0.52 0.00 0.00 54.79 55.64 1vre n ASP 16 Cb 0.25 -0.66 0.14 0.00 -0.72 0.00 0.00 41.12 40.13 1vre n ASP 16 CO 0.00 0.00 0.00 0.40 -1.92 0.00 0.00 177.20 175.68 1vre h ILE 17 N -0.77 1.09 -0.95 5.18 2.04 -1.66 -1.46 117.51 120.97 1vre h ILE 17 Ca 0.00 -0.37 -0.57 0.00 1.00 0.00 0.00 64.86 64.92 1vre h ILE 17 Cb 0.77 -0.08 -0.29 0.00 -0.74 0.00 0.00 36.82 36.47 1vre h ILE 17 CO 0.00 0.20 0.66 0.00 0.00 0.00 0.00 178.15 179.01 1vre n ALA 18 N -2.36 5.83 0.02 1.87 0.00 -0.85 -4.03 120.51 120.99 1vre n ALA 18 Ca 0.13 -3.19 -0.02 0.00 0.00 0.00 0.00 53.44 50.37 1vre n ALA 18 Cb 0.15 -1.51 -0.01 0.00 0.00 0.00 0.00 19.45 18.08 1vre n ALA 18 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 1vre h GLY 19 N 1.45 -0.90 0.00 0.00 0.00 -1.32 -3.09 103.07 99.21 1vre h GLY 19 Ca 0.59 0.39 -0.06 0.00 0.00 0.00 0.00 47.33 48.26 1vre h GLY 19 CO 1.26 -0.33 -1.37 -1.14 0.00 0.00 0.00 176.54 174.96 1vre n SER 20 N -2.60 3.48 0.20 0.19 3.41 -1.26 -4.53 113.62 112.50 1vre n SER 20 Ca -0.01 0.00 0.12 0.00 -0.26 0.00 0.00 58.87 58.72 1vre n SER 20 Cb 0.04 0.96 0.19 0.00 -0.26 0.00 0.00 64.21 65.14 1vre n SER 20 CO 0.00 0.00 0.00 -2.24 -0.16 0.00 0.00 175.04 172.64 1vre h ASP 21 N 0.00 0.00 -1.25 4.04 2.03 -1.81 -3.47 116.42 115.96 1vre h ASP 21 Ca -0.09 -0.00 -0.42 0.00 -0.73 0.00 0.00 57.03 55.79 1vre h ASP 21 Cb 0.87 0.00 -0.15 0.00 -0.83 0.00 0.00 39.33 39.23 1vre h ASP 21 CO 0.00 0.00 -0.40 -3.20 -1.03 0.00 0.00 179.24 174.61 1vre n ASN 22 N -2.96 -5.54 0.00 4.15 5.15 -1.17 -0.91 115.26 113.98 1vre n ASN 22 Ca 0.04 0.44 0.00 0.00 -0.60 0.00 0.00 54.58 54.46 1vre n ASN 22 Cb 0.52 -4.82 0.00 0.00 -0.53 0.00 0.00 39.78 34.95 1vre n ASN 22 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1vre n GLY 23 N -0.51 0.83 0.08 8.20 0.00 -1.26 -3.83 105.19 108.70 1vre n GLY 23 Ca -0.21 -0.34 -0.13 0.00 0.00 0.00 0.00 46.02 45.34 1vre n GLY 23 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1vre h ALA 24 N 0.00 -0.09 0.00 4.61 0.00 -1.32 -2.21 119.26 120.25 1vre h ALA 24 Ca 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.77 1vre h ALA 24 Cb 0.01 0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.84 1vre h ALA 24 CO 0.00 -0.41 0.00 0.41 0.00 0.00 0.00 179.25 179.25 1vre n GLY 25 N -0.38 -1.15 0.10 0.00 0.00 -1.26 -3.02 105.19 99.48 1vre n GLY 25 Ca -0.08 -0.13 -0.13 0.00 0.00 0.00 0.00 46.02 45.68 1vre n GLY 25 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1vre h VAL 26 N 0.00 0.99 0.21 1.61 2.07 -1.83 -3.20 116.25 116.11 1vre h VAL 26 Ca 0.00 -2.76 -0.31 0.00 0.82 0.00 0.00 66.70 64.45 1vre h VAL 26 Cb 0.22 2.57 0.03 0.00 -1.52 0.00 0.00 31.29 32.59 1vre h VAL 26 CO 0.00 0.70 -1.45 1.23 0.02 0.00 0.00 177.57 178.06 1vre h GLY 27 N 2.59 0.51 1.82 2.17 0.00 -1.37 -2.28 103.07 106.52 1vre h GLY 27 Ca -0.26 -1.31 -0.04 0.00 0.00 0.00 0.00 47.33 45.72 1vre h GLY 27 CO 0.11 1.14 -0.10 0.07 0.00 0.00 0.00 176.54 177.76 1vre h LYS 28 N 0.02 0.22 0.00 4.80 2.10 -1.66 -0.64 116.57 121.41 1vre h LYS 28 Ca -0.27 -0.04 0.00 0.00 -2.00 0.00 0.00 60.65 58.34 1vre h LYS 28 Cb 2.04 -0.03 0.00 0.00 -0.90 0.00 0.00 32.23 33.34 1vre h LYS 28 CO 0.21 0.33 -0.71 -0.85 -2.00 0.00 0.00 179.45 176.44 1vre n GLU 29 N -4.31 0.28 -0.05 0.07 0.28 -1.21 -3.48 120.64 112.23 1vre n GLU 29 Ca -0.01 0.07 -0.03 0.00 -0.16 0.00 0.00 57.16 57.02 1vre n GLU 29 Cb 0.24 -1.66 -0.01 0.00 1.43 0.00 0.00 31.44 31.44 1vre n GLU 29 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1vre h PHE 31 N -0.63 0.84 -0.78 0.00 0.04 -1.36 0.23 116.94 115.28 1vre h PHE 31 Ca 0.00 0.02 0.18 0.00 2.80 0.00 0.00 57.97 60.98 1vre h PHE 31 Cb 0.37 -0.26 -0.05 0.00 2.20 0.00 0.00 35.95 38.21 1vre h PHE 31 CO -0.16 0.31 0.53 1.15 -0.60 0.00 0.00 178.31 179.55 1vre h THR 32 N 0.71 0.71 0.00 -1.55 2.02 -1.72 0.52 112.91 113.61 1vre h THR 32 Ca 0.45 -0.09 -0.07 0.00 0.77 0.00 0.00 66.41 67.47 1vre h THR 32 Cb 0.69 0.43 0.01 0.00 -1.74 0.00 0.00 68.15 67.53 1vre h THR 32 CO -0.21 0.05 -0.27 0.11 0.37 0.00 0.00 175.52 175.57 1vre h LYS 33 N 0.26 0.18 -0.03 6.66 1.79 -0.69 -2.55 116.57 122.18 1vre h LYS 33 Ca 0.38 -0.20 -0.00 0.00 -2.18 0.00 0.00 60.65 58.66 1vre h LYS 33 Cb 1.12 0.06 -0.00 0.00 -1.58 0.00 0.00 32.23 31.82 1vre h LYS 33 CO -0.09 0.94 0.02 0.35 -1.08 0.00 0.00 179.45 179.59 1vre h PHE 34 N -0.51 0.05 -0.69 -1.35 3.57 -0.77 0.62 116.94 117.86 1vre h PHE 34 Ca -0.03 -0.00 0.09 0.00 3.53 0.00 0.00 57.97 61.55 1vre h PHE 34 Cb 1.04 -0.01 -0.07 0.00 2.79 0.00 0.00 35.95 39.70 1vre h PHE 34 CO 0.18 0.10 0.34 -0.07 -2.23 0.00 0.00 178.31 176.63 1vre h LEU 35 N -0.02 0.44 0.13 0.59 3.38 -0.13 0.68 115.31 120.38 1vre h LEU 35 Ca 0.01 0.06 -0.01 0.00 0.09 0.00 0.00 57.88 58.03 1vre h LEU 35 Cb 0.07 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 40.80 1vre h LEU 35 CO -0.00 0.26 -0.06 0.77 0.09 0.00 0.00 178.44 179.49 1vre h SER 36 N 0.59 -0.15 -1.04 -0.43 4.64 -1.06 -3.25 113.55 112.85 1vre h SER 36 Ca 0.34 0.01 0.30 0.00 -0.47 0.00 0.00 61.79 61.96 1vre h SER 36 Cb 0.35 0.04 -0.04 0.00 -0.31 0.00 0.00 62.40 62.43 1vre h SER 36 CO -0.26 0.03 0.75 0.00 -0.87 0.00 0.00 176.83 176.47 1vre h ALA 37 N -1.66 2.98 -3.71 5.18 0.00 0.26 -3.32 119.26 118.99 1vre h ALA 37 Ca -0.02 -0.04 -0.63 0.00 0.00 0.00 0.00 54.91 54.23 1vre h ALA 37 Cb 0.13 0.08 -0.38 0.00 0.00 0.00 0.00 17.79 17.62 1vre h ALA 37 CO 0.03 -1.27 -0.79 -1.01 0.00 0.00 0.00 179.25 176.20 1vre s HIS 38 N -4.97 2.71 -0.36 0.00 3.76 0.24 -4.95 115.29 111.72 1vre s HIS 38 Ca -0.05 -1.96 0.23 0.00 -0.15 0.00 0.00 55.06 53.13 1vre s HIS 38 Cb 0.22 -1.70 0.11 0.00 1.11 0.00 0.00 32.58 32.32 1vre s HIS 38 CO 0.79 -0.81 1.15 0.45 -0.85 0.00 0.00 174.74 175.47 1vre h HIS 39 N 7.89 0.00 0.00 1.40 -0.00 -1.67 -2.99 115.15 119.79 1vre h HIS 39 Ca -0.19 0.00 -0.01 0.00 -0.00 0.00 0.00 60.37 60.18 1vre h HIS 39 Cb 1.06 0.00 -0.00 0.00 -0.00 0.00 0.00 27.41 28.47 1vre h HIS 39 CO 0.55 0.00 -0.04 0.38 -0.00 0.00 0.00 177.93 178.82 1vre h ASP 40 N 0.00 0.00 0.00 2.45 2.03 -1.92 -2.94 116.42 116.04 1vre h ASP 40 Ca 0.00 0.00 -0.09 0.00 -0.73 0.00 0.00 57.03 56.21 1vre h ASP 40 Cb 0.93 0.00 -0.02 0.00 -0.83 0.00 0.00 39.33 39.42 1vre h ASP 40 CO 0.00 0.04 -1.70 0.23 -1.03 0.00 0.00 179.24 176.78 1vre n MET 41 N -3.20 1.03 -0.30 4.15 2.81 -1.24 -4.45 117.12 115.92 1vre n MET 41 Ca -0.01 -0.08 0.25 0.00 -1.81 0.00 0.00 57.70 56.06 1vre n MET 41 Cb 0.24 -1.31 0.58 0.00 -0.71 0.00 0.00 33.22 32.01 1vre n MET 41 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1vre h ALA 42 N 0.97 2.47 -0.18 3.04 0.00 -1.35 0.70 119.26 124.91 1vre h ALA 42 Ca -0.13 0.03 -0.17 0.00 0.00 0.00 0.00 54.91 54.63 1vre h ALA 42 Cb 1.06 0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.88 1vre h ALA 42 CO 0.01 -0.83 -0.59 0.00 0.00 0.00 0.00 179.25 177.83 1vre h ALA 43 N 1.57 0.63 0.54 0.00 0.00 -1.74 -1.76 119.26 118.50 1vre h ALA 43 Ca 0.56 -0.53 -0.02 0.00 0.00 0.00 0.00 54.91 54.91 1vre h ALA 43 Cb 1.64 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 19.36 1vre h ALA 43 CO -0.19 0.70 -0.31 0.28 0.00 0.00 0.00 179.25 179.72 1vre h VAL 44 N 0.44 0.00 -0.27 0.00 2.07 0.18 -1.84 116.25 116.84 1vre h VAL 44 Ca -0.00 0.00 0.08 0.00 0.82 0.00 0.00 66.70 67.60 1vre h VAL 44 Cb 1.15 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 30.91 1vre h VAL 44 CO 0.11 0.00 0.24 -0.26 0.02 0.00 0.00 177.57 177.68 1vre h PHE 45 N -0.79 0.00 0.00 1.57 0.04 -1.48 -3.41 116.94 112.86 1vre h PHE 45 Ca -0.07 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.70 1vre h PHE 45 Cb 0.63 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.78 1vre h PHE 45 CO -0.00 0.00 0.00 0.41 -0.60 0.00 0.00 178.31 178.12 1vre n GLY 46 N -1.50 0.61 1.40 -1.45 0.00 -0.66 -5.04 105.19 98.55 1vre n GLY 46 Ca 0.04 -1.68 0.18 0.00 0.00 0.00 0.00 46.02 44.55 1vre n GLY 46 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1vre n PHE 47 N 0.00 -3.64 -1.31 1.61 3.72 -1.26 -4.24 117.46 112.34 1vre n PHE 47 Ca 0.00 1.90 0.03 0.00 -0.05 0.00 0.00 57.45 59.33 1vre n PHE 47 Cb 0.00 -3.31 0.20 0.00 -0.94 0.00 0.00 39.48 35.44 1vre n PHE 47 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 1vre n SER 48 N -4.25 2.63 0.00 4.37 2.88 -1.26 -4.82 113.62 113.17 1vre n SER 48 Ca -0.03 -3.51 0.00 0.00 -1.33 0.00 0.00 58.87 54.00 1vre n SER 48 Cb 0.65 -0.56 0.00 0.00 -0.75 0.00 0.00 64.21 63.55 1vre n SER 48 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1vre n GLY 49 N -1.04 0.65 0.97 0.46 0.00 -1.26 -4.85 105.19 100.12 1vre n GLY 49 Ca 0.25 -1.76 0.04 0.00 0.00 0.00 0.00 46.02 44.55 1vre n GLY 49 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1vre n ALA 50 N -0.82 2.89 -1.74 4.61 0.00 -1.26 -3.96 120.51 120.24 1vre n ALA 50 Ca 0.00 -0.79 -0.13 0.00 0.00 0.00 0.00 53.44 52.52 1vre n ALA 50 Cb 0.00 -1.03 0.11 0.00 0.00 0.00 0.00 19.45 18.53 1vre n ALA 50 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1vre n SER 51 N 0.37 3.78 -4.44 0.00 7.64 -1.26 -4.98 113.62 114.73 1vre n SER 51 Ca 0.12 -3.81 -0.33 0.00 1.01 0.00 0.00 58.87 55.87 1vre n SER 51 Cb 0.55 -0.50 -0.14 0.00 -1.01 0.00 0.00 64.21 63.11 1vre n SER 51 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1vre s ASP 52 N -3.15 3.98 0.56 6.43 2.15 -1.25 -4.98 116.67 120.40 1vre s ASP 52 Ca 0.47 -0.24 0.30 0.00 0.43 0.00 0.00 52.55 53.51 1vre s ASP 52 Cb 0.41 -1.03 1.67 0.00 -0.30 0.00 0.00 42.92 43.67 1vre s ASP 52 CO -0.00 0.30 2.17 -0.65 -0.17 0.00 0.00 175.17 176.81 1vre h PRO 53 N 5.70 0.00 -0.97 4.34 0.11 -1.96 -2.49 132.00 136.74 1vre h PRO 53 Ca -0.41 0.00 0.18 0.00 0.11 0.00 0.00 66.00 65.88 1vre h PRO 53 Cb 1.17 0.00 -0.10 0.00 0.11 0.00 0.00 31.00 32.17 1vre h PRO 53 CO 0.51 0.06 0.56 0.78 -0.21 0.00 0.00 178.00 179.71 1vre h GLY 54 N 0.49 1.68 -0.01 -0.55 0.00 -1.99 0.34 103.07 103.04 1vre h GLY 54 Ca -0.00 -0.33 0.26 0.00 0.00 0.00 0.00 47.33 47.26 1vre h GLY 54 CO 0.01 -0.06 0.68 -2.08 0.00 0.00 0.00 176.54 175.09 1vre h VAL 55 N 0.73 0.55 0.00 4.60 2.07 -1.83 1.34 116.25 123.70 1vre h VAL 55 Ca 0.55 -0.09 -0.01 0.00 0.82 0.00 0.00 66.70 67.96 1vre h VAL 55 Cb 0.83 0.25 -0.00 0.00 -1.52 0.00 0.00 31.29 30.85 1vre h VAL 55 CO -0.38 0.05 -0.05 0.00 0.02 0.00 0.00 177.57 177.21 1vre h ALA 56 N 1.57 0.98 0.06 1.67 0.00 -0.52 -2.59 119.26 120.44 1vre h ALA 56 Ca 0.53 -0.05 -0.22 0.00 0.00 0.00 0.00 54.91 55.18 1vre h ALA 56 Cb 1.57 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 19.34 1vre h ALA 56 CO -0.17 0.06 -1.13 -0.44 0.00 0.00 0.00 179.25 177.57 1vre h ASP 57 N 0.00 0.19 0.57 0.00 5.19 0.18 -3.01 116.42 119.53 1vre h ASP 57 Ca -0.00 -0.77 -0.03 0.00 -0.62 0.00 0.00 57.03 55.62 1vre h ASP 57 Cb 0.83 -0.06 0.01 0.00 0.18 0.00 0.00 39.33 40.28 1vre h ASP 57 CO 0.01 1.47 -0.27 -0.07 -3.12 0.00 0.00 179.24 177.26 1vre h LEU 58 N -0.65 -0.65 -0.63 1.55 3.38 -1.00 0.23 115.31 117.55 1vre h LEU 58 Ca -0.27 0.02 0.13 0.00 0.09 0.00 0.00 57.88 57.85 1vre h LEU 58 Cb 1.48 0.17 -0.10 0.00 0.09 0.00 0.00 40.66 42.30 1vre h LEU 58 CO -0.04 -0.38 0.06 1.23 0.09 0.00 0.00 178.44 179.40 1vre h GLY 59 N -0.93 0.74 0.75 0.83 0.00 -1.67 0.45 103.07 103.24 1vre h GLY 59 Ca -0.08 0.04 0.06 0.00 0.00 0.00 0.00 47.33 47.35 1vre h GLY 59 CO 0.13 -0.18 0.64 0.00 0.00 0.00 0.00 176.54 177.13 1vre h ALA 60 N 1.55 1.37 0.00 3.60 0.00 -1.48 0.44 119.26 124.74 1vre h ALA 60 Ca 0.34 -0.02 -0.07 0.00 0.00 0.00 0.00 54.91 55.15 1vre h ALA 60 Cb 0.54 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 1vre h ALA 60 CO -0.49 0.44 -0.32 0.87 0.00 0.00 0.00 179.25 179.75 1vre h LYS 61 N 1.17 0.00 0.02 0.00 1.57 0.16 -3.16 116.57 116.32 1vre h LYS 61 Ca 0.42 0.00 -0.07 0.00 -1.87 0.00 0.00 60.65 59.13 1vre h LYS 61 Cb 0.15 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.46 1vre h LYS 61 CO -0.17 0.32 -0.36 0.28 -0.57 0.00 0.00 179.45 178.95 1vre h VAL 62 N 0.00 1.59 -0.73 0.50 2.07 0.17 -3.31 116.25 116.54 1vre h VAL 62 Ca -0.00 -2.34 0.16 0.00 0.82 0.00 0.00 66.70 65.34 1vre h VAL 62 Cb 0.97 3.15 -0.12 0.00 -1.52 0.00 0.00 31.29 33.78 1vre h VAL 62 CO 0.04 0.58 0.10 -0.07 0.02 0.00 0.00 177.57 178.24 1vre h LEU 63 N -0.90 -0.14 -0.36 2.57 -0.00 -0.28 -0.03 115.31 116.18 1vre h LEU 63 Ca -0.09 0.17 0.08 0.00 -0.00 0.00 0.00 57.88 58.03 1vre h LEU 63 Cb 1.15 0.26 -0.07 0.00 -0.00 0.00 0.00 40.66 41.99 1vre h LEU 63 CO -0.02 -0.10 -0.14 0.00 -0.00 0.00 0.00 178.44 178.18 1vre h ALA 64 N 1.64 0.16 -0.51 1.53 0.00 -1.65 -1.32 119.26 119.12 1vre h ALA 64 Ca 0.41 0.14 0.10 0.00 0.00 0.00 0.00 54.91 55.56 1vre h ALA 64 Cb 0.72 0.36 -0.10 0.00 0.00 0.00 0.00 17.79 18.77 1vre h ALA 64 CO -0.57 -0.51 -0.19 0.37 0.00 0.00 0.00 179.25 178.35 1vre h GLN 65 N -0.07 -0.07 -0.42 0.00 5.75 -1.08 0.79 115.11 120.01 1vre h GLN 65 Ca 0.18 0.00 0.10 0.00 -0.15 0.00 0.00 58.65 58.78 1vre h GLN 65 Cb 0.34 0.02 -0.02 0.00 1.07 0.00 0.00 27.48 28.89 1vre h GLN 65 CO -0.41 -0.05 0.29 0.82 -2.65 0.00 0.00 178.83 176.84 1vre h ILE 66 N -0.07 0.84 0.40 2.39 2.04 -1.03 -0.27 117.51 121.81 1vre h ILE 66 Ca 0.24 -0.04 -0.02 0.00 1.00 0.00 0.00 64.86 66.04 1vre h ILE 66 Cb 0.45 0.72 0.00 0.00 -0.74 0.00 0.00 36.82 37.25 1vre h ILE 66 CO -0.56 0.02 -0.19 1.23 0.00 0.00 0.00 178.15 178.65 1vre h GLY 67 N 0.11 -0.56 1.76 5.37 0.00 0.14 0.28 103.07 110.17 1vre h GLY 67 Ca 0.20 0.21 0.00 0.00 0.00 0.00 0.00 47.33 47.74 1vre h GLY 67 CO -0.02 -0.20 0.11 -2.08 0.00 0.00 0.00 176.54 174.35 1vre h VAL 68 N -0.97 0.06 0.06 4.60 2.07 -0.49 -0.44 116.25 121.15 1vre h VAL 68 Ca -0.05 0.00 -0.31 0.00 0.82 0.00 0.00 66.70 67.16 1vre h VAL 68 Cb 0.54 0.89 -0.03 0.00 -1.52 0.00 0.00 31.29 31.18 1vre h VAL 68 CO 0.09 0.00 -1.69 0.00 0.02 0.00 0.00 177.57 175.99 1vre h ALA 69 N 1.79 0.53 0.00 1.67 0.00 -0.76 -3.30 119.26 119.18 1vre h ALA 69 Ca 0.01 -1.32 0.00 0.00 0.00 0.00 0.00 54.91 53.60 1vre h ALA 69 Cb 0.23 0.45 0.00 0.00 0.00 0.00 0.00 17.79 18.48 1vre h ALA 69 CO -0.00 1.38 0.00 0.28 0.00 0.00 0.00 179.25 180.91 1vre h VAL 70 N 0.04 0.00 -0.37 0.00 2.07 0.13 -0.49 116.25 117.63 1vre h VAL 70 Ca -0.29 -0.02 0.00 0.00 0.82 0.00 0.00 66.70 67.20 1vre h VAL 70 Cb 2.01 0.63 0.00 0.00 -1.52 0.00 0.00 31.29 32.41 1vre h VAL 70 CO 0.11 0.00 0.00 -1.20 0.02 0.00 0.00 177.57 176.50 1vre n SER 71 N -2.43 3.20 -2.62 0.57 7.64 -1.17 -4.22 113.62 114.59 1vre n SER 71 Ca -0.01 -2.33 -0.02 0.00 1.01 0.00 0.00 58.87 57.51 1vre n SER 71 Cb 0.06 -0.49 0.12 0.00 -1.01 0.00 0.00 64.21 62.90 1vre n SER 71 CO 0.00 0.00 0.00 1.41 -3.01 0.00 0.00 175.04 173.44 1vre n HIS 72 N 0.52 -2.01 -0.07 1.43 8.25 -0.19 -4.93 115.22 118.21 1vre n HIS 72 Ca 0.15 -1.66 -0.09 0.00 -0.26 0.00 0.00 57.72 55.87 1vre n HIS 72 Cb 0.63 1.53 0.07 0.00 1.12 0.00 0.00 29.99 33.34 1vre n HIS 72 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 1vre h LEU 73 N 1.03 0.79 0.00 2.41 3.38 -1.72 -3.01 115.31 118.19 1vre h LEU 73 Ca -0.42 -0.32 -0.16 0.00 0.09 0.00 0.00 57.88 57.07 1vre h LEU 73 Cb 1.29 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 41.79 1vre h LEU 73 CO -0.17 1.04 -1.08 1.23 0.09 0.00 0.00 178.44 179.55 1vre h GLY 74 N 0.95 0.00 -7.38 0.83 0.00 -1.92 -3.40 103.07 92.15 1vre h GLY 74 Ca 0.07 0.00 -0.75 0.00 0.00 0.00 0.00 47.33 46.65 1vre h GLY 74 CO 0.07 0.00 -0.22 -0.35 0.00 0.00 0.00 176.54 176.04 1vre s ASP 75 N -6.13 6.06 -0.42 0.19 -1.08 -1.14 -4.90 116.67 109.26 1vre s ASP 75 Ca -0.00 -2.16 0.02 0.00 -0.52 0.00 0.00 52.55 49.88 1vre s ASP 75 Cb 0.08 -2.10 0.47 0.00 -1.46 0.00 0.00 42.92 39.91 1vre s ASP 75 CO 0.79 -0.68 1.83 -1.84 0.52 0.00 0.00 175.17 175.79 1vre n GLU 76 N 4.64 2.11 0.12 4.34 0.28 -1.26 -4.19 120.64 126.69 1vre n GLU 76 Ca -0.03 -2.46 0.02 0.00 -0.16 0.00 0.00 57.16 54.53 1vre n GLU 76 Cb 0.42 -1.96 0.00 0.00 1.43 0.00 0.00 31.44 31.33 1vre n GLU 76 CO 0.00 0.00 0.00 0.78 -0.16 0.00 0.00 177.13 177.75 1vre h GLY 77 N 1.83 0.00 0.00 -1.84 0.00 -1.90 -3.39 103.07 97.77 1vre h GLY 77 Ca 0.50 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.83 1vre h GLY 77 CO 1.01 0.00 -0.34 1.17 0.00 0.00 0.00 176.54 178.38 1vre n LYS 78 N -3.14 0.33 -0.23 4.80 4.81 -1.26 -4.64 118.16 118.83 1vre n LYS 78 Ca -0.00 0.00 0.03 0.00 -0.87 0.00 0.00 58.31 57.46 1vre n LYS 78 Cb 0.75 -0.67 0.12 0.00 0.02 0.00 0.00 35.03 35.25 1vre n LYS 78 CO 0.00 0.00 0.00 1.98 1.17 0.00 0.00 177.40 180.55 1vre h MET 79 N 0.00 0.09 0.00 1.64 4.05 -1.80 0.95 114.93 119.86 1vre h MET 79 Ca 0.00 -0.01 -0.03 0.00 -0.28 0.00 0.00 59.70 59.38 1vre h MET 79 Cb 0.34 -0.02 -0.00 0.00 -0.80 0.00 0.00 31.60 31.12 1vre h MET 79 CO 0.00 0.06 -0.16 0.28 0.23 0.00 0.00 176.91 177.32 1vre h VAL 80 N 0.10 0.43 -0.23 -5.77 2.07 -1.87 -0.98 116.25 109.99 1vre h VAL 80 Ca 0.36 -0.91 -0.16 0.00 0.82 0.00 0.00 66.70 66.81 1vre h VAL 80 Cb 0.60 1.66 -0.01 0.00 -1.52 0.00 0.00 31.29 32.02 1vre h VAL 80 CO -0.60 0.16 -0.51 0.00 0.02 0.00 0.00 177.57 176.64 1vre h ALA 81 N 1.84 0.68 0.02 1.67 0.00 0.58 0.58 119.26 124.63 1vre h ALA 81 Ca -0.00 -0.49 -0.06 0.00 0.00 0.00 0.00 54.91 54.36 1vre h ALA 81 Cb 0.64 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.34 1vre h ALA 81 CO 0.02 0.68 -0.30 1.49 0.00 0.00 0.00 179.25 181.14 1vre h GLU 82 N 0.50 0.04 -0.40 0.00 4.22 -0.76 -3.14 114.58 115.04 1vre h GLU 82 Ca 0.02 -0.08 0.01 0.00 0.08 0.00 0.00 59.36 59.39 1vre h GLU 82 Cb 1.06 0.03 -0.02 0.00 0.50 0.00 0.00 28.75 30.31 1vre h GLU 82 CO 0.10 1.04 0.25 0.52 -2.18 0.00 0.00 179.01 178.74 1vre h MET 83 N -0.90 0.50 -0.77 1.92 2.86 -1.25 -0.46 114.93 116.82 1vre h MET 83 Ca -0.07 -0.03 0.17 0.00 -2.06 0.00 0.00 59.70 57.71 1vre h MET 83 Cb 1.14 -0.11 -0.05 0.00 0.06 0.00 0.00 31.60 32.64 1vre h MET 83 CO -0.00 0.33 0.52 -0.22 1.06 0.00 0.00 176.91 178.60 1vre h LYS 84 N 0.51 0.31 -0.11 1.72 1.63 -1.00 0.38 116.57 120.01 1vre h LYS 84 Ca 0.15 -0.02 -0.14 0.00 -0.85 0.00 0.00 60.65 59.80 1vre h LYS 84 Cb -0.02 -0.07 -0.01 0.00 -0.60 0.00 0.00 32.23 31.53 1vre h LYS 84 CO -0.05 0.20 -0.53 0.00 -3.45 0.00 0.00 179.45 175.62 1vre h ALA 85 N 1.64 0.89 0.20 5.00 0.00 -1.05 -2.91 119.26 123.03 1vre h ALA 85 Ca 0.38 -0.50 -0.01 0.00 0.00 0.00 0.00 54.91 54.79 1vre h ALA 85 Cb 1.03 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.74 1vre h ALA 85 CO -0.11 0.68 -0.10 0.28 0.00 0.00 0.00 179.25 180.01 1vre h VAL 86 N 0.24 0.86 -0.85 0.00 2.07 0.40 -2.60 116.25 116.37 1vre h VAL 86 Ca 0.01 -0.27 0.14 0.00 0.82 0.00 0.00 66.70 67.40 1vre h VAL 86 Cb 1.02 1.02 -0.09 0.00 -1.52 0.00 0.00 31.29 31.72 1vre h VAL 86 CO 0.09 0.06 0.44 1.23 0.02 0.00 0.00 177.57 179.41 1vre h GLY 87 N -0.40 1.37 0.64 2.17 0.00 -1.42 0.63 103.07 106.06 1vre h GLY 87 Ca -0.03 -0.25 0.16 0.00 0.00 0.00 0.00 47.33 47.21 1vre h GLY 87 CO 0.04 -0.03 0.53 -2.08 0.00 0.00 0.00 176.54 175.01 1vre h VAL 88 N 0.63 0.39 0.00 4.60 2.07 -1.19 1.16 116.25 123.91 1vre h VAL 88 Ca 0.46 0.00 -0.10 0.00 0.82 0.00 0.00 66.70 67.88 1vre h VAL 88 Cb 0.64 0.59 -0.02 0.00 -1.52 0.00 0.00 31.29 30.98 1vre h VAL 88 CO -0.36 0.00 -0.55 0.03 0.02 0.00 0.00 177.57 176.71 1vre h ARG 89 N 0.00 0.00 -0.00 1.57 2.47 0.36 -3.12 114.38 115.66 1vre h ARG 89 Ca 0.26 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.98 1vre h ARG 89 Cb 1.31 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.63 1vre h ARG 89 CO -0.00 0.45 -0.05 0.72 0.56 0.00 0.00 179.97 181.65 1vre n HIS 90 N -3.19 0.00 1.12 3.04 8.25 0.39 -3.38 115.22 121.46 1vre n HIS 90 Ca 0.01 0.00 0.14 0.00 -0.26 0.00 0.00 57.72 57.61 1vre n HIS 90 Cb 0.73 -0.21 0.60 0.00 1.12 0.00 0.00 29.99 32.23 1vre n HIS 90 CO 0.00 0.00 0.00 0.36 0.64 0.00 0.00 176.34 177.34 1vre n LYS 91 N -1.10 0.15 -2.71 -0.41 2.85 -0.90 -4.38 118.16 111.66 1vre n LYS 91 Ca 0.15 -0.02 -0.07 0.00 -1.05 0.00 0.00 58.31 57.32 1vre n LYS 91 Cb 0.24 -1.50 0.10 0.00 -0.65 0.00 0.00 35.03 33.22 1vre n LYS 91 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1vre n GLY 92 N 1.44 0.11 0.00 2.58 0.00 -1.22 -4.76 105.19 103.34 1vre n GLY 92 Ca 0.09 0.22 0.00 0.00 0.00 0.00 0.00 46.02 46.32 1vre n GLY 92 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1vre n TYR 93 N 0.33 -1.33 0.20 1.61 4.01 -1.23 -4.86 117.16 115.90 1vre n TYR 93 Ca 0.02 0.00 0.07 0.00 -0.16 0.00 0.00 57.90 57.83 1vre n TYR 93 Cb 0.72 0.00 0.42 0.00 -0.31 0.00 0.00 39.34 40.17 1vre n TYR 93 CO 0.00 0.00 0.00 0.78 -0.46 0.00 0.00 176.86 177.18 1vre h GLY 94 N 0.00 0.00 0.73 2.72 0.00 -1.92 -3.12 103.07 101.47 1vre h GLY 94 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 47.33 47.01 1vre h GLY 94 CO 0.00 0.00 -1.89 1.16 0.00 0.00 0.00 176.54 175.81 1vre n ASN 95 N -3.65 1.13 -2.54 0.19 6.94 -1.26 -4.96 115.26 111.11 1vre n ASN 95 Ca -0.01 0.29 -0.19 0.00 -0.02 0.00 0.00 54.58 54.66 1vre n ASN 95 Cb 0.44 -0.15 -0.00 0.00 -2.36 0.00 0.00 39.78 37.70 1vre n ASN 95 CO 0.00 0.00 0.00 1.17 -1.03 0.00 0.00 177.26 177.40 1vre n LYS 96 N -3.13 -2.35 -2.66 -3.83 4.81 -1.18 -4.85 118.16 104.97 1vre n LYS 96 Ca -0.24 0.85 -0.09 0.00 -0.87 0.00 0.00 58.31 57.96 1vre n LYS 96 Cb 1.06 -5.52 0.03 0.00 0.02 0.00 0.00 35.03 30.62 1vre n LYS 96 CO 0.00 0.00 0.00 0.72 1.17 0.00 0.00 177.40 179.29 1vre n HIS 97 N -3.88 1.44 -2.92 5.64 8.25 -1.26 -4.97 115.22 117.52 1vre n HIS 97 Ca -0.19 -2.66 -0.26 0.00 -0.26 0.00 0.00 57.72 54.35 1vre n HIS 97 Cb 0.65 -0.32 -0.01 0.00 1.12 0.00 0.00 29.99 31.44 1vre n HIS 97 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 1vre s ILE 98 N -3.55 4.98 -0.13 1.59 1.01 -1.26 -4.91 121.20 118.92 1vre s ILE 98 Ca 0.30 -0.03 -0.16 0.00 0.00 0.00 0.00 60.65 60.75 1vre s ILE 98 Cb 0.42 -3.86 0.04 0.00 0.01 0.00 0.00 42.46 39.07 1vre s ILE 98 CO 0.00 -0.73 0.43 -0.54 0.00 0.00 0.00 174.94 174.10 1vre s LYS 99 N -4.55 0.57 0.00 2.79 3.01 -1.26 -4.94 119.74 115.36 1vre s LYS 99 Ca 0.45 0.46 0.30 0.00 -1.01 0.00 0.00 55.97 56.17 1vre s LYS 99 Cb -0.10 0.27 1.62 0.00 -1.01 0.00 0.00 37.83 38.61 1vre s LYS 99 CO 0.41 -0.10 2.06 0.00 0.51 0.00 0.00 175.35 178.24 1vre n ALA 100 N 2.48 2.52 0.08 5.17 0.00 -1.26 -3.28 120.51 126.21 1vre n ALA 100 Ca -0.15 -0.16 -0.07 0.00 0.00 0.00 0.00 53.44 53.06 1vre n ALA 100 Cb 0.57 -1.48 0.08 0.00 0.00 0.00 0.00 19.45 18.61 1vre n ALA 100 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 1vre h GLU 101 N 0.00 0.26 0.00 0.00 4.39 -2.02 -2.92 114.58 114.28 1vre h GLU 101 Ca 0.00 -0.21 0.00 0.00 0.34 0.00 0.00 59.36 59.49 1vre h GLU 101 Cb 0.14 0.04 0.00 0.00 -0.10 0.00 0.00 28.75 28.83 1vre h GLU 101 CO 0.00 0.85 0.00 1.88 -1.16 0.00 0.00 179.01 180.58 1vre h TYR 102 N 0.18 0.00 0.65 4.33 0.05 -1.99 -3.35 116.97 116.84 1vre h TYR 102 Ca -0.02 0.00 -0.03 0.00 0.05 0.00 0.00 58.73 58.73 1vre h TYR 102 Cb 1.23 0.00 0.01 0.00 1.01 0.00 0.00 36.73 38.97 1vre h TYR 102 CO 0.03 0.00 -0.32 0.74 -1.05 0.00 0.00 178.16 177.55 1vre h PHE 103 N 0.00 -0.84 -0.49 4.88 -1.00 -1.67 0.49 116.94 118.31 1vre h PHE 103 Ca 0.00 -0.02 0.07 0.00 2.81 0.00 0.00 57.97 60.83 1vre h PHE 103 Cb 0.72 0.28 -0.09 0.00 3.61 0.00 0.00 35.95 40.47 1vre h PHE 103 CO 0.00 -0.52 -0.50 0.93 -1.61 0.00 0.00 178.31 176.61 1vre h GLU 104 N -0.89 -0.31 -0.39 1.51 5.08 -1.70 1.52 114.58 119.40 1vre h GLU 104 Ca -0.09 0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.30 1vre h GLU 104 Cb 0.69 0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.99 1vre h GLU 104 CO 0.14 -0.20 0.26 -1.00 -1.00 0.00 0.00 179.01 177.21 1vre h PRO 105 N -0.32 0.52 0.00 2.33 0.13 -1.71 0.31 132.00 133.26 1vre h PRO 105 Ca 0.12 -0.03 -0.00 0.00 -0.87 0.00 0.00 66.00 65.22 1vre h PRO 105 Cb 0.58 -0.12 -0.00 0.00 0.13 0.00 0.00 31.00 31.59 1vre h PRO 105 CO -0.64 0.34 -0.00 1.25 -0.23 0.00 0.00 178.00 178.72 1vre h LEU 106 N 0.53 0.00 0.05 1.56 7.12 0.14 0.42 115.31 125.14 1vre h LEU 106 Ca 0.14 0.00 -0.17 0.00 0.13 0.00 0.00 57.88 57.98 1vre h LEU 106 Cb -0.06 0.00 -0.01 0.00 -0.53 0.00 0.00 40.66 40.06 1vre h LEU 106 CO -0.03 0.00 -0.87 1.23 -0.13 0.00 0.00 178.44 178.64 1vre h GLY 107 N 1.42 0.13 2.00 3.75 0.00 0.37 -3.02 103.07 107.72 1vre h GLY 107 Ca -0.00 -0.33 -0.07 0.00 0.00 0.00 0.00 47.33 46.93 1vre h GLY 107 CO 0.00 0.29 -0.35 0.00 0.00 0.00 0.00 176.54 176.47 1vre h ALA 108 N -0.13 1.24 -0.12 3.60 0.00 -0.30 -2.67 119.26 120.88 1vre h ALA 108 Ca -0.20 -0.32 -0.16 0.00 0.00 0.00 0.00 54.91 54.23 1vre h ALA 108 Cb 1.40 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 19.12 1vre h ALA 108 CO -0.02 0.44 -0.60 0.77 0.00 0.00 0.00 179.25 179.84 1vre h SER 109 N 0.00 0.46 -0.15 0.00 0.02 -1.02 -2.99 113.55 109.88 1vre h SER 109 Ca -0.00 -0.26 -0.07 0.00 -0.84 0.00 0.00 61.79 60.61 1vre h SER 109 Cb 0.70 -0.13 -0.02 0.00 0.14 0.00 0.00 62.40 63.09 1vre h SER 109 CO 0.05 0.96 -0.11 0.25 -1.14 0.00 0.00 176.83 176.83 1vre h LEU 110 N 0.31 0.48 -1.46 5.07 6.46 -1.34 -2.22 115.31 122.60 1vre h LEU 110 Ca -0.01 -0.12 0.04 0.00 -0.12 0.00 0.00 57.88 57.68 1vre h LEU 110 Cb 1.14 -0.13 -0.04 0.00 -0.73 0.00 0.00 40.66 40.90 1vre h LEU 110 CO 0.10 0.63 0.41 -0.07 -0.62 0.00 0.00 178.44 178.89 1vre h LEU 111 N 0.46 0.60 -1.17 2.25 3.38 -1.40 0.25 115.31 119.68 1vre h LEU 111 Ca 0.09 -0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.99 1vre h LEU 111 Cb 0.47 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.08 1vre h LEU 111 CO 0.03 0.41 -0.32 -1.28 0.09 0.00 0.00 178.44 177.37 1vre h SER 112 N 0.69 0.00 0.54 -0.43 0.87 -1.44 -2.99 113.55 110.79 1vre h SER 112 Ca 0.25 0.00 -0.29 0.00 -1.23 0.00 0.00 61.79 60.53 1vre h SER 112 Cb 0.14 0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 62.07 1vre h SER 112 CO -0.07 0.32 -1.53 0.00 -0.53 0.00 0.00 176.83 175.02 1vre h ALA 113 N 1.68 0.47 -0.71 6.23 0.00 -0.74 -3.35 119.26 122.84 1vre h ALA 113 Ca -0.00 -1.21 0.10 0.00 0.00 0.00 0.00 54.91 53.80 1vre h ALA 113 Cb 0.75 0.30 -0.08 0.00 0.00 0.00 0.00 17.79 18.77 1vre h ALA 113 CO 0.04 1.32 0.33 0.52 0.00 0.00 0.00 179.25 181.46 1vre h MET 114 N 0.03 0.53 -0.25 0.00 2.07 -0.48 0.22 114.93 117.05 1vre h MET 114 Ca -0.23 -0.03 0.07 0.00 -2.07 0.00 0.00 59.70 57.44 1vre h MET 114 Cb 1.97 -0.12 -0.01 0.00 -1.87 0.00 0.00 31.60 31.57 1vre h MET 114 CO 0.12 0.35 0.47 1.05 1.07 0.00 0.00 176.91 179.97 1vre h GLU 115 N 0.55 0.00 -0.94 1.72 4.11 -1.68 -0.86 114.58 117.48 1vre h GLU 115 Ca 0.36 0.00 0.22 0.00 0.07 0.00 0.00 59.36 60.01 1vre h GLU 115 Cb 0.43 0.00 -0.12 0.00 0.50 0.00 0.00 28.75 29.56 1vre h GLU 115 CO -0.30 0.00 0.49 0.45 0.07 0.00 0.00 179.01 179.72 1vre h HIS 116 N 0.00 0.84 0.00 2.06 3.86 -0.76 1.49 115.15 122.63 1vre h HIS 116 Ca 0.12 0.04 -0.03 0.00 -1.16 0.00 0.00 60.37 59.33 1vre h HIS 116 Cb 1.05 -0.22 -0.01 0.00 1.06 0.00 0.00 27.41 29.29 1vre h HIS 116 CO 0.00 0.05 -0.29 -0.09 0.86 0.00 0.00 177.93 178.46 1vre h ARG 117 N 0.53 0.00 -2.23 2.45 2.43 -1.33 -3.38 114.38 112.84 1vre h ARG 117 Ca 0.58 0.00 -0.73 0.00 -0.81 0.00 0.00 59.98 59.02 1vre h ARG 117 Cb 1.06 0.00 -0.32 0.00 -0.42 0.00 0.00 29.97 30.29 1vre h ARG 117 CO -0.48 0.42 0.48 0.44 -1.51 0.00 0.00 179.97 179.33 1vre n ILE 118 N -4.65 4.97 0.19 1.20 -5.35 -1.03 -4.75 119.36 109.95 1vre n ILE 118 Ca -0.09 -5.75 0.04 0.00 -0.27 0.00 0.00 62.75 56.67 1vre n ILE 118 Cb 0.29 -1.48 0.39 0.00 -1.74 0.00 0.00 39.64 37.09 1vre n ILE 118 CO 0.00 0.00 0.00 1.23 -1.76 0.00 0.00 176.55 176.02 1vre h GLY 119 N 3.73 0.00 1.22 3.28 0.00 0.19 1.34 103.07 112.83 1vre h GLY 119 Ca 0.41 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.74 1vre h GLY 119 CO 1.07 0.00 -0.71 -1.33 0.00 0.00 0.00 176.54 175.58 1vre h GLY 120 N 1.15 0.00 0.00 4.60 0.00 -1.85 -3.34 103.07 103.62 1vre h GLY 120 Ca -0.00 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.32 1vre h GLY 120 CO 0.05 0.00 -1.76 0.28 0.00 0.00 0.00 176.54 175.11 1vre n LYS 121 N -2.55 0.53 -2.23 4.80 5.02 -0.90 -4.76 118.16 118.08 1vre n LYS 121 Ca 0.02 -0.14 -0.33 0.00 -2.02 0.00 0.00 58.31 55.84 1vre n LYS 121 Cb 0.51 -1.39 -0.04 0.00 -0.02 0.00 0.00 35.03 34.09 1vre n LYS 121 CO 0.00 0.00 0.00 1.41 -0.52 0.00 0.00 177.40 178.29 1vre s MET 122 N -3.11 2.96 0.00 1.97 1.75 0.46 -4.84 119.30 118.48 1vre s MET 122 Ca -0.06 -1.36 0.00 0.00 -1.25 0.00 0.00 55.69 53.02 1vre s MET 122 Cb 0.10 -5.32 0.00 0.00 2.84 0.00 0.00 34.83 32.45 1vre s MET 122 CO 0.68 -3.41 0.00 0.27 -0.65 0.00 0.00 175.02 171.91 1vre n ASN 123 N 12.49 0.00 -0.10 1.11 0.23 -1.26 -4.76 115.26 122.97 1vre n ASN 123 Ca 0.45 -0.22 -0.13 0.00 -0.53 0.00 0.00 54.58 54.16 1vre n ASN 123 Cb 0.47 0.00 -0.04 0.00 -2.08 0.00 0.00 39.78 38.13 1vre n ASN 123 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1vre h ALA 124 N -1.85 0.42 -0.22 -2.53 0.00 -1.99 -2.47 119.26 110.63 1vre h ALA 124 Ca 0.00 -0.37 -0.01 0.00 0.00 0.00 0.00 54.91 54.54 1vre h ALA 124 Cb 0.00 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 1vre h ALA 124 CO 0.00 0.38 0.10 0.00 0.00 0.00 0.00 179.25 179.73 1vre h ALA 125 N 0.73 1.78 0.18 0.00 0.00 -1.96 0.76 119.26 120.75 1vre h ALA 125 Ca 0.06 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 1vre h ALA 125 Cb 0.77 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.47 1vre h ALA 125 CO 0.06 0.19 -0.09 0.00 0.00 0.00 0.00 179.25 179.41 1vre h ALA 126 N 1.82 -0.24 0.00 0.00 0.00 -1.82 1.16 119.26 120.17 1vre h ALA 126 Ca 0.08 -0.20 -0.10 0.00 0.00 0.00 0.00 54.91 54.69 1vre h ALA 126 Cb 0.04 0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 1vre h ALA 126 CO -0.01 -0.42 -0.47 1.57 0.00 0.00 0.00 179.25 179.91 1vre h LYS 127 N -0.66 0.00 0.24 0.00 2.10 -1.11 -2.36 116.57 114.77 1vre h LYS 127 Ca -0.02 0.00 -0.32 0.00 -2.00 0.00 0.00 60.65 58.31 1vre h LYS 127 Cb 0.48 0.00 0.03 0.00 -0.90 0.00 0.00 32.23 31.84 1vre h LYS 127 CO 0.04 0.47 -1.41 0.22 -2.00 0.00 0.00 179.45 176.78 1vre h ASP 128 N 0.00 0.78 -0.64 7.07 3.58 0.61 -1.23 116.42 126.59 1vre h ASP 128 Ca -0.00 -0.93 -0.01 0.00 0.42 0.00 0.00 57.03 56.51 1vre h ASP 128 Cb 0.89 -0.25 -0.03 0.00 1.72 0.00 0.00 39.33 41.65 1vre h ASP 128 CO 0.06 1.68 0.35 0.00 -2.88 0.00 0.00 179.24 178.44 1vre h ALA 129 N 0.13 0.82 -0.01 -0.78 0.00 0.15 -2.40 119.26 117.17 1vre h ALA 129 Ca -0.25 -0.11 -0.20 0.00 0.00 0.00 0.00 54.91 54.35 1vre h ALA 129 Cb 2.09 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 19.62 1vre h ALA 129 CO 0.25 0.34 -0.86 -1.49 0.00 0.00 0.00 179.25 177.49 1vre h TRP 130 N 0.88 0.45 -0.14 0.00 6.55 -1.52 -2.21 115.95 119.96 1vre h TRP 130 Ca 0.23 -0.24 0.04 0.00 0.95 0.00 0.00 58.89 59.87 1vre h TRP 130 Cb 0.05 -0.05 -0.01 0.00 -0.86 0.00 0.00 29.16 28.29 1vre h TRP 130 CO -0.01 1.03 0.24 0.00 -1.05 0.00 0.00 178.44 178.66 1vre h ALA 131 N 0.89 1.62 0.04 1.49 0.00 -0.73 1.32 119.26 123.89 1vre h ALA 131 Ca -0.05 -0.01 -0.32 0.00 0.00 0.00 0.00 54.91 54.53 1vre h ALA 131 Cb 1.48 0.01 -0.04 0.00 0.00 0.00 0.00 17.79 19.24 1vre h ALA 131 CO 0.14 -0.31 -1.78 0.00 0.00 0.00 0.00 179.25 177.30 1vre n ALA 132 N -2.19 0.93 0.06 0.00 0.00 -0.99 -3.66 120.51 114.66 1vre n ALA 132 Ca 0.01 -0.66 -0.11 0.00 0.00 0.00 0.00 53.44 52.67 1vre n ALA 132 Cb 0.34 -0.45 -0.08 0.00 0.00 0.00 0.00 19.45 19.26 1vre n ALA 132 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1vre h ALA 133 N -0.37 -0.21 -1.02 0.00 0.00 -0.72 -2.36 119.26 114.57 1vre h ALA 133 Ca -0.45 -0.23 0.29 0.00 0.00 0.00 0.00 54.91 54.53 1vre h ALA 133 Cb 1.62 0.08 -0.04 0.00 0.00 0.00 0.00 17.79 19.44 1vre h ALA 133 CO -0.15 -0.31 0.73 -0.92 0.00 0.00 0.00 179.25 178.60 1vre h TYR 134 N -0.83 0.05 -0.07 0.00 5.03 0.15 1.13 116.97 122.43 1vre h TYR 134 Ca -0.02 0.00 -0.23 0.00 2.58 0.00 0.00 58.73 61.06 1vre h TYR 134 Cb 0.53 -0.01 0.01 0.00 1.55 0.00 0.00 36.73 38.80 1vre h TYR 134 CO 0.08 0.01 -0.88 0.00 -1.32 0.00 0.00 178.16 176.05 1vre h ALA 135 N 1.50 0.32 0.03 1.82 0.00 -1.60 -2.16 119.26 119.16 1vre h ALA 135 Ca 0.49 -0.65 -0.21 0.00 0.00 0.00 0.00 54.91 54.54 1vre h ALA 135 Cb 1.91 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 19.68 1vre h ALA 135 CO -0.02 0.72 -0.99 -0.44 0.00 0.00 0.00 179.25 178.52 1vre h ASP 136 N 0.40 0.15 0.64 0.00 5.19 0.85 -1.29 116.42 122.36 1vre h ASP 136 Ca -0.08 -0.14 -0.03 0.00 -0.62 0.00 0.00 57.03 56.16 1vre h ASP 136 Cb 1.51 -0.05 0.01 0.00 0.18 0.00 0.00 39.33 40.98 1vre h ASP 136 CO 0.17 1.04 -0.31 0.40 -3.12 0.00 0.00 179.24 177.42 1vre h ILE 137 N 0.04 0.00 0.00 0.35 2.04 0.95 -1.29 117.51 119.61 1vre h ILE 137 Ca -0.04 -0.32 0.00 0.00 1.00 0.00 0.00 64.86 65.50 1vre h ILE 137 Cb 1.69 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 37.77 1vre h ILE 137 CO 0.14 0.00 0.00 0.77 0.00 0.00 0.00 178.15 179.06 1vre h SER 138 N -1.18 0.00 -0.02 1.72 4.64 -1.51 -2.85 113.55 114.36 1vre h SER 138 Ca -0.09 0.00 -0.11 0.00 -0.47 0.00 0.00 61.79 61.12 1vre h SER 138 Cb 0.66 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.75 1vre h SER 138 CO 0.14 0.00 -0.41 1.23 -0.87 0.00 0.00 176.83 176.92 1vre h GLY 139 N 1.46 0.34 2.00 -0.77 0.00 -1.06 -3.12 103.07 101.93 1vre h GLY 139 Ca 0.00 -0.57 -0.00 0.00 0.00 0.00 0.00 47.33 46.76 1vre h GLY 139 CO 0.00 0.50 -0.02 0.00 0.00 0.00 0.00 176.54 177.02 1vre h ALA 140 N 0.32 1.17 0.00 3.60 0.00 -0.99 -0.14 119.26 123.21 1vre h ALA 140 Ca -0.05 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.84 1vre h ALA 140 Cb 1.13 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.91 1vre h ALA 140 CO 0.08 0.03 0.00 -0.11 0.00 0.00 0.00 179.25 179.25 1vre n LEU 141 N -3.35 0.65 0.07 0.00 0.00 -1.18 -2.92 117.00 110.27 1vre n LEU 141 Ca -0.02 0.58 0.13 0.00 0.00 0.00 0.00 56.01 56.70 1vre n LEU 141 Cb 0.13 -0.40 0.48 0.00 0.00 0.00 0.00 43.42 43.64 1vre n LEU 141 CO 0.24 -0.23 0.91 -0.38 0.00 0.00 0.00 177.39 177.94 1vre n ILE 142 N -2.12 0.39 0.15 1.96 2.08 -0.07 -2.88 119.36 118.88 1vre n ILE 142 Ca 0.05 -0.17 -0.06 0.00 0.56 0.00 0.00 62.75 63.13 1vre n ILE 142 Cb 0.37 -0.57 -0.03 0.00 -0.75 0.00 0.00 39.64 38.66 1vre n ILE 142 CO 0.00 0.00 0.00 0.28 0.56 0.00 0.00 176.55 177.39 1vre h SER 143 N 0.00 -0.35 0.60 4.38 0.02 -1.64 -3.15 113.55 113.40 1vre h SER 143 Ca 0.00 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.96 1vre h SER 143 Cb 0.64 0.09 0.00 0.00 0.14 0.00 0.00 62.40 63.27 1vre h SER 143 CO 0.00 -0.14 0.00 0.61 -1.14 0.00 0.00 176.83 176.16 1vre n GLY 144 N 0.02 -1.10 3.95 -3.77 0.00 -1.25 -4.74 105.19 98.29 1vre n GLY 144 Ca -0.05 -0.02 -0.26 0.00 0.00 0.00 0.00 46.02 45.69 1vre n GLY 144 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1vre s LEU 145 N -3.41 2.86 -1.53 0.99 0.20 -1.14 -2.56 118.68 114.09 1vre s LEU 145 Ca 0.07 0.18 0.00 0.00 0.69 0.00 0.00 54.13 55.07 1vre s LEU 145 Cb 0.10 -2.63 0.00 0.00 -0.43 0.00 0.00 46.19 43.22 1vre s LEU 145 CO 0.31 -1.89 0.00 0.00 -0.29 0.00 0.00 176.35 174.48 1vre n GLN 146 N -3.06 -1.38 -0.22 1.98 10.64 -1.26 -4.93 117.38 119.16 1vre n GLN 146 Ca 0.11 0.87 0.00 0.00 -1.83 0.00 0.00 57.00 56.15 1vre n GLN 146 Cb 0.60 -5.32 0.00 0.00 -0.86 0.00 0.00 30.24 24.66 1vre n GLN 146 CO 0.00 0.00 0.00 -1.13 -1.83 0.00 0.00 177.06 174.10