#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 4.33 0.00 0.99 2.01 -1.26 -4.97 118.68 119.78 1vre s LEU 2 Ca 0.00 0.94 0.00 0.00 0.01 0.00 0.00 54.13 55.08 1vre s LEU 2 Cb 0.00 -3.16 0.00 0.00 0.01 0.00 0.00 46.19 43.04 1vre s LEU 2 CO 0.00 0.12 0.00 -1.54 1.01 0.00 0.00 176.35 175.94 1vre n SER 3 N 0.79 1.60 0.08 2.29 3.41 -1.26 -4.80 113.62 115.73 1vre n SER 3 Ca -0.06 -0.63 -0.09 0.00 -0.26 0.00 0.00 58.87 57.82 1vre n SER 3 Cb 0.52 0.00 -0.01 0.00 -0.26 0.00 0.00 64.21 64.46 1vre n SER 3 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1vre h ALA 4 N 0.79 0.50 0.07 7.33 0.00 -1.98 -2.49 119.26 123.48 1vre h ALA 4 Ca 0.00 -0.72 -0.12 0.00 0.00 0.00 0.00 54.91 54.07 1vre h ALA 4 Cb 0.00 -0.07 0.01 0.00 0.00 0.00 0.00 17.79 17.73 1vre h ALA 4 CO 0.00 0.91 -0.54 0.00 0.00 0.00 0.00 179.25 179.62 1vre h ALA 5 N 0.94 -0.01 0.61 0.00 0.00 -1.99 -3.13 119.26 115.69 1vre h ALA 5 Ca -0.05 -0.67 -0.03 0.00 0.00 0.00 0.00 54.91 54.16 1vre h ALA 5 Cb 1.52 0.12 0.01 0.00 0.00 0.00 0.00 17.79 19.44 1vre h ALA 5 CO 0.14 0.27 -0.30 1.96 0.00 0.00 0.00 179.25 181.32 1vre h GLN 6 N -0.67 -0.80 -0.51 0.00 4.20 -1.94 0.45 115.11 115.85 1vre h GLN 6 Ca -0.11 0.05 0.15 0.00 0.06 0.00 0.00 58.65 58.81 1vre h GLN 6 Cb 1.36 0.18 -0.02 0.00 0.30 0.00 0.00 27.48 29.30 1vre h GLN 6 CO 0.06 -0.51 0.52 -0.09 -0.67 0.00 0.00 178.83 178.14 1vre h ARG 7 N -0.87 0.00 0.01 1.46 2.43 -1.61 -1.18 114.38 114.62 1vre h ARG 7 Ca -0.08 0.00 -0.14 0.00 -0.81 0.00 0.00 59.98 58.95 1vre h ARG 7 Cb 0.65 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 30.18 1vre h ARG 7 CO 0.14 0.00 -0.74 0.37 -1.51 0.00 0.00 179.97 178.22 1vre h GLN 8 N 0.00 0.03 -0.71 0.20 5.75 -1.26 -3.32 115.11 115.79 1vre h GLN 8 Ca 0.24 -0.04 0.21 0.00 -0.15 0.00 0.00 58.65 58.90 1vre h GLN 8 Cb 1.27 0.02 -0.03 0.00 1.07 0.00 0.00 27.48 29.81 1vre h GLN 8 CO -0.00 1.02 0.55 0.28 -2.65 0.00 0.00 178.83 178.03 1vre h VAL 9 N -0.93 0.54 0.28 2.39 2.07 0.10 -0.91 116.25 119.80 1vre h VAL 9 Ca -0.20 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.31 1vre h VAL 9 Cb 1.22 0.60 0.00 0.00 -1.52 0.00 0.00 31.29 31.60 1vre h VAL 9 CO -0.09 0.00 -0.14 0.58 0.02 0.00 0.00 177.57 177.94 1vre h VAL 10 N 0.00 0.76 0.00 2.57 2.07 -1.41 -1.79 116.25 118.45 1vre h VAL 10 Ca 0.34 -0.46 0.00 0.00 0.82 0.00 0.00 66.70 67.39 1vre h VAL 10 Cb 1.44 1.01 0.00 0.00 -1.52 0.00 0.00 31.29 32.22 1vre h VAL 10 CO -0.00 0.10 0.00 0.00 0.02 0.00 0.00 177.57 177.68 1vre h ALA 11 N 0.00 1.00 0.07 1.67 0.00 -1.30 -0.23 119.26 120.47 1vre h ALA 11 Ca -0.04 0.00 -0.25 0.00 0.00 0.00 0.00 54.91 54.63 1vre h ALA 11 Cb 0.45 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 1vre h ALA 11 CO 0.06 0.00 -1.15 1.03 0.00 0.00 0.00 179.25 179.20 1vre h SER 12 N 0.00 0.22 0.32 0.00 0.87 -0.85 -3.16 113.55 110.95 1vre h SER 12 Ca 0.00 -0.24 0.00 0.00 -1.23 0.00 0.00 61.79 60.32 1vre h SER 12 Cb 0.21 -0.07 0.00 0.00 -0.44 0.00 0.00 62.40 62.10 1vre h SER 12 CO 0.00 1.19 -0.84 0.35 -0.53 0.00 0.00 176.83 177.00 1vre n THR 13 N -3.44 0.05 0.30 2.23 -2.24 -0.72 -3.98 114.28 106.49 1vre n THR 13 Ca -0.05 -0.08 0.12 0.00 -2.27 0.00 0.00 64.05 61.77 1vre n THR 13 Cb 0.99 0.47 0.11 0.00 -2.10 0.00 0.00 70.33 69.79 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 -1.12 -2.96 115.95 123.66 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 0.58 0.00 0.00 0.00 -2.10 0.00 0.00 29.16 27.64 1vre h TRP 14 CO 0.00 0.00 -0.44 0.87 -2.79 0.00 0.00 178.44 176.08 1vre h LYS 15 N 0.00 0.00 0.00 2.65 1.57 -1.68 -2.58 116.57 116.53 1vre h LYS 15 Ca 0.00 0.00 -0.24 0.00 -1.87 0.00 0.00 60.65 58.54 1vre h LYS 15 Cb 0.90 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 33.18 1vre h LYS 15 CO 0.00 0.00 -1.63 -0.25 -0.57 0.00 0.00 179.45 177.00 1vre n ASP 16 N -2.27 1.91 -0.11 0.86 9.92 -1.23 -3.20 116.55 122.43 1vre n ASP 16 Ca 0.04 0.39 -0.12 0.00 -0.53 0.00 0.00 54.79 54.57 1vre n ASP 16 Cb 0.45 -0.84 -0.03 0.00 -0.64 0.00 0.00 41.12 40.06 1vre n ASP 16 CO 0.00 0.00 0.00 0.40 0.13 0.00 0.00 177.20 177.73 1vre h ILE 17 N -1.00 1.29 -0.99 0.53 2.04 -1.69 -2.99 117.51 114.70 1vre h ILE 17 Ca -0.36 -1.29 -0.59 0.00 1.00 0.00 0.00 64.86 63.62 1vre h ILE 17 Cb 1.25 1.43 -0.30 0.00 -0.74 0.00 0.00 36.82 38.47 1vre h ILE 17 CO -0.22 0.42 0.74 0.00 0.00 0.00 0.00 178.15 179.08 1vre n ALA 18 N -2.46 5.94 -1.00 1.87 0.00 -0.97 -3.76 120.51 120.14 1vre n ALA 18 Ca -0.03 -3.20 0.00 0.00 0.00 0.00 0.00 53.44 50.21 1vre n ALA 18 Cb 0.40 -1.59 0.00 0.00 0.00 0.00 0.00 19.45 18.26 1vre n ALA 18 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1vre n GLY 19 N -1.03 -2.40 1.03 0.00 0.00 -1.13 -3.24 105.19 98.42 1vre n GLY 19 Ca 0.61 0.06 0.08 0.00 0.00 0.00 0.00 46.02 46.77 1vre n GLY 19 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1vre n SER 20 N -0.22 3.77 0.00 1.61 3.41 -1.26 -4.37 113.62 116.56 1vre n SER 20 Ca 0.00 -2.36 0.00 0.00 -0.26 0.00 0.00 58.87 56.25 1vre n SER 20 Cb 0.00 -0.42 0.00 0.00 -0.26 0.00 0.00 64.21 63.53 1vre n SER 20 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 1vre n ASP 21 N 0.56 0.01 -1.27 4.04 5.68 -1.26 -4.98 116.55 119.33 1vre n ASP 21 Ca 0.19 -0.44 -0.15 0.00 -0.50 0.00 0.00 54.79 53.89 1vre n ASP 21 Cb 0.68 0.86 -0.06 0.00 -1.14 0.00 0.00 41.12 41.45 1vre n ASP 21 CO 0.00 0.00 0.00 -3.20 -1.33 0.00 0.00 177.20 172.67 1vre n ASN 22 N -0.86 -4.78 -0.09 -1.12 5.15 -1.20 -0.65 115.26 111.70 1vre n ASN 22 Ca 0.00 0.37 0.00 0.00 -0.60 0.00 0.00 54.58 54.35 1vre n ASN 22 Cb 0.00 -4.04 0.00 0.00 -0.53 0.00 0.00 39.78 35.21 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 -0.14 0.87 0.15 8.20 0.00 -1.25 -4.02 105.19 109.01 1vre n GLY 23 Ca -0.15 -0.59 -0.07 0.00 0.00 0.00 0.00 46.02 45.21 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 0.38 -0.20 4.61 0.00 -1.20 0.60 119.26 123.44 1vre h ALA 24 Ca 0.00 0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1vre h ALA 24 Cb 0.71 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.52 1vre h ALA 24 CO 0.00 -0.28 0.00 0.41 0.00 0.00 0.00 179.25 179.38 1vre n GLY 25 N -1.21 -0.02 0.13 0.00 0.00 -1.26 -3.46 105.19 99.37 1vre n GLY 25 Ca 0.00 -0.24 -0.19 0.00 0.00 0.00 0.00 46.02 45.60 1vre n GLY 25 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1vre n VAL 26 N 0.10 1.62 -0.07 1.61 0.31 0.16 -3.94 118.33 118.12 1vre n VAL 26 Ca 0.08 -0.63 -0.13 0.00 -0.01 0.00 0.00 64.34 63.65 1vre n VAL 26 Cb 0.18 -1.51 -0.10 0.00 -0.91 0.00 0.00 33.84 31.50 1vre n VAL 26 CO 0.00 0.00 0.00 1.23 -1.32 0.00 0.00 176.83 176.74 1vre h GLY 27 N 1.74 0.00 0.08 2.92 0.00 -1.54 -1.92 103.07 104.35 1vre h GLY 27 Ca -0.50 0.00 0.27 0.00 0.00 0.00 0.00 47.33 47.10 1vre h GLY 27 CO -0.00 0.00 0.68 0.07 0.00 0.00 0.00 176.54 177.29 1vre h LYS 28 N -1.00 0.07 0.00 4.80 2.10 -1.71 1.15 116.57 121.97 1vre h LYS 28 Ca -0.05 -0.00 -0.07 0.00 -2.00 0.00 0.00 60.65 58.52 1vre h LYS 28 Cb 0.88 -0.02 -0.01 0.00 -0.90 0.00 0.00 32.23 32.19 1vre h LYS 28 CO -0.03 0.04 -1.12 1.05 -2.00 0.00 0.00 179.45 177.39 1vre h GLU 29 N 0.07 0.00 0.16 0.07 4.11 -1.68 -2.95 114.58 114.36 1vre h GLU 29 Ca 0.47 0.00 -0.35 0.00 0.07 0.00 0.00 59.36 59.55 1vre h GLU 29 Cb 1.75 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 31.00 1vre h GLU 29 CO -0.04 0.13 -1.82 0.00 0.07 0.00 0.00 179.01 177.34 1vre h PHE 31 N 0.09 0.83 -0.47 0.00 -1.00 0.84 -2.84 116.94 114.39 1vre h PHE 31 Ca -0.36 -0.43 0.09 0.00 2.81 0.00 0.00 57.97 60.08 1vre h PHE 31 Cb 2.08 -0.10 -0.08 0.00 3.61 0.00 0.00 35.95 41.45 1vre h PHE 31 CO 0.09 1.25 -0.04 1.15 -1.61 0.00 0.00 178.31 179.16 1vre h THR 32 N 0.17 0.60 -0.83 -1.55 2.02 -1.67 0.50 112.91 112.15 1vre h THR 32 Ca -0.09 -0.03 -0.03 0.00 0.77 0.00 0.00 66.41 67.04 1vre h THR 32 Cb 1.45 0.52 -0.04 0.00 -1.74 0.00 0.00 68.15 68.33 1vre h THR 32 CO 0.15 0.01 0.40 0.11 0.37 0.00 0.00 175.52 176.57 1vre h LYS 33 N 0.08 1.19 -0.22 6.66 1.57 -1.63 -0.80 116.57 123.42 1vre h LYS 33 Ca 0.23 -0.17 -0.03 0.00 -1.87 0.00 0.00 60.65 58.82 1vre h LYS 33 Cb 0.35 -0.22 -0.01 0.00 0.08 0.00 0.00 32.23 32.44 1vre h LYS 33 CO -0.42 0.91 0.04 0.35 -0.57 0.00 0.00 179.45 179.76 1vre h PHE 34 N 1.17 0.39 -0.25 -1.35 3.57 -0.76 -0.54 116.94 119.17 1vre h PHE 34 Ca 0.28 -0.05 0.00 0.00 3.53 0.00 0.00 57.97 61.74 1vre h PHE 34 Cb 0.11 -0.11 -0.01 0.00 2.79 0.00 0.00 35.95 38.73 1vre h PHE 34 CO 0.01 0.49 0.16 -0.07 -2.23 0.00 0.00 178.31 176.68 1vre h LEU 35 N 0.17 0.28 0.75 0.59 3.38 0.19 0.72 115.31 121.39 1vre h LEU 35 Ca 0.07 -0.01 -0.04 0.00 0.09 0.00 0.00 57.88 58.00 1vre h LEU 35 Cb 0.31 -0.07 0.01 0.00 0.09 0.00 0.00 40.66 41.00 1vre h LEU 35 CO 0.00 0.20 -0.36 -1.28 0.09 0.00 0.00 178.44 177.09 1vre h SER 36 N 0.33 -0.85 0.12 -0.43 0.87 -1.05 -2.53 113.55 110.01 1vre h SER 36 Ca 0.09 0.02 -0.01 0.00 -1.23 0.00 0.00 61.79 60.65 1vre h SER 36 Cb -0.03 0.22 -0.00 0.00 -0.44 0.00 0.00 62.40 62.14 1vre h SER 36 CO -0.02 -0.57 -0.07 0.00 -0.53 0.00 0.00 176.83 175.64 1vre h ALA 37 N -0.84 1.61 -3.71 6.23 0.00 -1.02 -3.36 119.26 118.17 1vre h ALA 37 Ca -0.10 -0.06 -0.65 0.00 0.00 0.00 0.00 54.91 54.10 1vre h ALA 37 Cb 0.78 -0.01 -0.39 0.00 0.00 0.00 0.00 17.79 18.18 1vre h ALA 37 CO 0.17 0.09 -0.76 -1.01 0.00 0.00 0.00 179.25 177.73 1vre s HIS 38 N -4.63 3.18 -0.37 0.00 3.76 0.25 -4.94 115.29 112.54 1vre s HIS 38 Ca -0.04 -2.43 0.23 0.00 -0.15 0.00 0.00 55.06 52.67 1vre s HIS 38 Cb 0.15 -2.22 0.16 0.00 1.11 0.00 0.00 32.58 31.79 1vre s HIS 38 CO 0.62 -0.89 1.24 0.45 -0.85 0.00 0.00 174.74 175.31 1vre h HIS 39 N 7.77 0.00 0.00 1.40 -0.00 -1.71 -3.05 115.15 119.56 1vre h HIS 39 Ca -0.13 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.24 1vre h HIS 39 Cb 1.04 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 28.45 1vre h HIS 39 CO 0.53 0.00 0.00 0.38 -0.00 0.00 0.00 177.93 178.84 1vre h ASP 40 N 0.00 0.00 0.00 2.45 2.03 -1.92 -2.98 116.42 116.00 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 0.95 0.00 -0.02 0.00 -0.83 0.00 0.00 39.33 39.43 1vre h ASP 40 CO 0.00 0.00 -1.77 0.23 -1.03 0.00 0.00 179.24 176.67 1vre n MET 41 N -2.94 0.92 -0.30 4.15 2.81 -1.23 -4.34 117.12 116.19 1vre n MET 41 Ca 0.00 -0.09 0.11 0.00 -1.81 0.00 0.00 57.70 55.92 1vre n MET 41 Cb 0.26 -1.35 0.28 0.00 -0.71 0.00 0.00 33.22 31.70 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 1.10 1.36 0.00 3.04 0.00 -1.40 0.61 119.26 123.97 1vre h ALA 42 Ca -0.13 0.15 -0.13 0.00 0.00 0.00 0.00 54.91 54.80 1vre h ALA 42 Cb 1.10 0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.99 1vre h ALA 42 CO 0.01 -0.29 -0.60 0.00 0.00 0.00 0.00 179.25 178.36 1vre h ALA 43 N 1.67 0.82 -0.03 0.00 0.00 -1.67 -0.41 119.26 119.64 1vre h ALA 43 Ca 0.53 -0.55 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 1vre h ALA 43 Cb 0.95 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.64 1vre h ALA 43 CO -0.49 0.76 -0.00 0.28 0.00 0.00 0.00 179.25 179.79 1vre h VAL 44 N 0.00 1.26 -0.08 0.00 2.07 -0.07 -2.83 116.25 116.59 1vre h VAL 44 Ca -0.01 -0.77 -0.02 0.00 0.82 0.00 0.00 66.70 66.72 1vre h VAL 44 Cb 1.20 1.71 -0.01 0.00 -1.52 0.00 0.00 31.29 32.68 1vre h VAL 44 CO 0.08 0.21 -0.05 -0.26 0.02 0.00 0.00 177.57 177.56 1vre h PHE 45 N -0.25 0.12 0.00 1.57 0.04 -1.02 -3.40 116.94 113.99 1vre h PHE 45 Ca 0.01 -0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.77 1vre h PHE 45 Cb 0.33 -0.04 0.00 0.00 2.20 0.00 0.00 35.95 38.45 1vre h PHE 45 CO 0.03 0.18 0.00 0.41 -0.60 0.00 0.00 178.31 178.33 1vre n GLY 46 N -1.22 1.83 3.54 -1.45 0.00 -1.07 -5.06 105.19 101.77 1vre n GLY 46 Ca -0.02 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.75 1vre n GLY 46 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1vre s PHE 47 N -2.00 2.01 -0.16 1.61 0.08 -0.18 -4.96 117.98 114.38 1vre s PHE 47 Ca 0.00 -0.98 0.17 0.00 0.12 0.00 0.00 56.93 56.25 1vre s PHE 47 Cb 0.00 -1.40 0.39 0.00 -0.57 0.00 0.00 43.02 41.44 1vre s PHE 47 CO 0.00 0.06 1.26 0.45 -0.10 0.00 0.00 175.22 176.89 1vre n SER 48 N -0.97 2.85 0.00 1.36 2.88 -1.26 -3.80 113.62 114.69 1vre n SER 48 Ca -0.06 -3.14 0.00 0.00 -1.33 0.00 0.00 58.87 54.34 1vre n SER 48 Cb 0.66 -0.48 0.00 0.00 -0.75 0.00 0.00 64.21 63.64 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 -1.09 0.77 1.75 0.46 0.00 -1.26 -4.85 105.19 100.97 1vre n GLY 49 Ca 0.19 -1.79 -0.14 0.00 0.00 0.00 0.00 46.02 44.28 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 -0.87 4.39 -1.70 4.61 0.00 -1.26 -4.01 120.51 121.66 1vre n ALA 50 Ca 0.00 -1.78 0.06 0.00 0.00 0.00 0.00 53.44 51.72 1vre n ALA 50 Cb 0.00 -1.27 0.14 0.00 0.00 0.00 0.00 19.45 18.32 1vre n ALA 50 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1vre n SER 51 N -0.48 1.55 -4.50 0.00 3.41 -1.26 -5.03 113.62 107.31 1vre n SER 51 Ca 0.36 -3.16 -0.33 0.00 -0.26 0.00 0.00 58.87 55.48 1vre n SER 51 Cb 1.22 -0.43 -0.13 0.00 -0.26 0.00 0.00 64.21 64.61 1vre n SER 51 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1vre s ASP 52 N -2.70 4.26 0.44 4.04 2.15 -1.26 -4.99 116.67 118.61 1vre s ASP 52 Ca 0.32 -0.15 0.22 0.00 0.43 0.00 0.00 52.55 53.37 1vre s ASP 52 Cb 0.32 -1.08 0.99 0.00 -0.30 0.00 0.00 42.92 42.85 1vre s ASP 52 CO -0.06 0.32 1.87 1.55 -0.17 0.00 0.00 175.17 178.68 1vre h PRO 53 N 5.52 0.00 -0.35 4.34 0.13 -1.96 -2.75 132.00 136.94 1vre h PRO 53 Ca -0.44 0.00 0.07 0.00 -0.87 0.00 0.00 66.00 64.76 1vre h PRO 53 Cb 1.17 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.28 1vre h PRO 53 CO 0.52 0.25 0.24 0.78 -0.23 0.00 0.00 178.00 179.57 1vre h GLY 54 N 1.61 0.23 0.59 1.56 0.00 -1.94 -0.34 103.07 104.77 1vre h GLY 54 Ca -0.00 -0.07 0.16 0.00 0.00 0.00 0.00 47.33 47.41 1vre h GLY 54 CO 0.03 0.05 0.53 -2.08 0.00 0.00 0.00 176.54 175.08 1vre h VAL 55 N 0.18 0.78 0.00 4.60 2.07 -1.86 0.78 116.25 122.79 1vre h VAL 55 Ca 0.16 -0.16 0.00 0.00 0.82 0.00 0.00 66.70 67.52 1vre h VAL 55 Cb 0.41 0.28 0.00 0.00 -1.52 0.00 0.00 31.29 30.46 1vre h VAL 55 CO -0.03 0.08 0.00 0.00 0.02 0.00 0.00 177.57 177.65 1vre n ALA 56 N -2.51 2.37 0.02 1.67 0.00 -0.14 -3.08 120.51 118.85 1vre n ALA 56 Ca 0.16 -0.12 -0.20 0.00 0.00 0.00 0.00 53.44 53.27 1vre n ALA 56 Cb 0.55 -1.46 -0.14 0.00 0.00 0.00 0.00 19.45 18.39 1vre n ALA 56 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 1vre h ASP 57 N 0.00 0.42 0.17 0.00 5.19 0.55 -3.17 116.42 119.59 1vre h ASP 57 Ca 0.00 -0.84 -0.01 0.00 -0.62 0.00 0.00 57.03 55.56 1vre h ASP 57 Cb 0.36 -0.14 0.00 0.00 0.18 0.00 0.00 39.33 39.73 1vre h ASP 57 CO 0.00 1.74 -0.08 -0.07 -3.12 0.00 0.00 179.24 177.71 1vre h LEU 58 N 0.07 -0.19 -1.55 1.55 3.38 -1.49 -1.83 115.31 115.26 1vre h LEU 58 Ca -0.38 0.01 0.26 0.00 0.09 0.00 0.00 57.88 57.86 1vre h LEU 58 Cb 2.05 0.05 -0.08 0.00 0.09 0.00 0.00 40.66 42.77 1vre h LEU 58 CO 0.11 0.10 0.68 1.23 0.09 0.00 0.00 178.44 180.65 1vre h GLY 59 N -0.70 0.85 0.62 0.83 0.00 -1.77 1.16 103.07 104.06 1vre h GLY 59 Ca -0.02 -0.15 -0.00 0.00 0.00 0.00 0.00 47.33 47.15 1vre h GLY 59 CO 0.04 -0.07 -0.01 0.00 0.00 0.00 0.00 176.54 176.50 1vre h ALA 60 N 1.58 0.03 -0.16 3.60 0.00 -1.59 -0.76 119.26 121.96 1vre h ALA 60 Ca 0.55 -0.21 -0.12 0.00 0.00 0.00 0.00 54.91 55.13 1vre h ALA 60 Cb 1.55 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.34 1vre h ALA 60 CO -0.20 -0.26 -0.35 0.87 0.00 0.00 0.00 179.25 179.31 1vre h LYS 61 N -0.35 0.52 -0.08 0.00 1.57 -0.05 -3.18 116.57 114.99 1vre h LYS 61 Ca 0.00 -0.35 0.03 0.00 -1.87 0.00 0.00 60.65 58.47 1vre h LYS 61 Cb 0.42 0.05 -0.04 0.00 0.08 0.00 0.00 32.23 32.74 1vre h LYS 61 CO 0.00 0.96 -0.12 0.28 -0.57 0.00 0.00 179.45 180.00 1vre h VAL 62 N 0.15 0.68 -0.69 0.50 2.07 0.12 -2.29 116.25 116.79 1vre h VAL 62 Ca 0.00 0.00 0.14 0.00 0.82 0.00 0.00 66.70 67.66 1vre h VAL 62 Cb 0.95 0.68 -0.13 0.00 -1.52 0.00 0.00 31.29 31.28 1vre h VAL 62 CO 0.08 0.00 -0.13 -0.07 0.02 0.00 0.00 177.57 177.46 1vre h LEU 63 N -0.16 -0.57 -1.11 2.57 -0.00 -1.16 0.32 115.31 115.20 1vre h LEU 63 Ca 0.07 0.20 0.13 0.00 -0.00 0.00 0.00 57.88 58.28 1vre h LEU 63 Cb 0.26 0.40 -0.08 0.00 -0.00 0.00 0.00 40.66 41.24 1vre h LEU 63 CO -0.18 -0.21 0.61 0.00 -0.00 0.00 0.00 178.44 178.66 1vre h ALA 64 N 1.68 1.64 -0.97 1.53 0.00 -1.39 0.12 119.26 121.86 1vre h ALA 64 Ca 0.34 0.02 0.08 0.00 0.00 0.00 0.00 54.91 55.35 1vre h ALA 64 Cb 0.54 -0.17 -0.07 0.00 0.00 0.00 0.00 17.79 18.09 1vre h ALA 64 CO -0.69 0.11 0.63 0.37 0.00 0.00 0.00 179.25 179.67 1vre h GLN 65 N 0.88 1.06 -0.27 0.00 5.75 -0.16 0.12 115.11 122.48 1vre h GLN 65 Ca 0.48 -0.06 -0.09 0.00 -0.15 0.00 0.00 58.65 58.83 1vre h GLN 65 Cb 0.59 -0.24 -0.01 0.00 1.07 0.00 0.00 27.48 28.89 1vre h GLN 65 CO -0.25 0.70 -0.22 0.82 -2.65 0.00 0.00 178.83 177.23 1vre h ILE 66 N 1.09 1.26 0.09 2.39 2.04 -0.53 -1.30 117.51 122.55 1vre h ILE 66 Ca 0.43 -1.22 -0.00 0.00 1.00 0.00 0.00 64.86 65.07 1vre h ILE 66 Cb 0.25 1.29 0.00 0.00 -0.74 0.00 0.00 36.82 37.63 1vre h ILE 66 CO -0.18 0.39 -0.05 1.23 0.00 0.00 0.00 178.15 179.54 1vre h GLY 67 N 1.00 -0.13 1.95 5.37 0.00 -0.16 0.73 103.07 111.83 1vre h GLY 67 Ca 0.07 0.05 0.01 0.00 0.00 0.00 0.00 47.33 47.46 1vre h GLY 67 CO 0.05 -0.05 0.02 -2.08 0.00 0.00 0.00 176.54 174.47 1vre h VAL 68 N -0.43 0.75 0.00 4.60 2.07 -0.88 -0.29 116.25 122.07 1vre h VAL 68 Ca -0.01 0.00 -0.18 0.00 0.82 0.00 0.00 66.70 67.32 1vre h VAL 68 Cb 0.36 0.99 -0.03 0.00 -1.52 0.00 0.00 31.29 31.09 1vre h VAL 68 CO 0.02 0.00 -1.10 0.00 0.02 0.00 0.00 177.57 176.51 1vre h ALA 69 N 1.98 0.60 0.00 1.67 0.00 -0.71 -3.26 119.26 119.55 1vre h ALA 69 Ca 0.01 -0.86 0.00 0.00 0.00 0.00 0.00 54.91 54.06 1vre h ALA 69 Cb 0.04 0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.94 1vre h ALA 69 CO -0.00 1.04 0.05 0.28 0.00 0.00 0.00 179.25 180.62 1vre h VAL 70 N 0.00 0.00 -0.72 0.00 2.07 0.23 -2.21 116.25 115.61 1vre h VAL 70 Ca -0.10 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.49 1vre h VAL 70 Cb 1.65 0.69 -0.06 0.00 -1.52 0.00 0.00 31.29 32.04 1vre h VAL 70 CO 0.08 0.00 0.40 -1.28 0.02 0.00 0.00 177.57 176.79 1vre h SER 71 N 0.00 0.59 -2.92 0.57 0.87 -1.59 -3.38 113.55 107.68 1vre h SER 71 Ca 0.00 0.04 -0.52 0.00 -1.23 0.00 0.00 61.79 60.08 1vre h SER 71 Cb 0.10 -0.08 -0.40 0.00 -0.44 0.00 0.00 62.40 61.58 1vre h SER 71 CO 0.00 0.36 -0.77 -1.00 -0.53 0.00 0.00 176.83 174.89 1vre s HIS 72 N -6.07 0.50 -0.18 2.24 3.76 -0.83 -4.98 115.29 109.72 1vre s HIS 72 Ca -0.13 -0.86 0.03 0.00 -0.15 0.00 0.00 55.06 53.96 1vre s HIS 72 Cb 0.17 -0.96 -0.22 0.00 1.11 0.00 0.00 32.58 32.68 1vre s HIS 72 CO 0.77 -0.75 0.13 1.28 -0.85 0.00 0.00 174.74 175.31 1vre n LEU 73 N 5.20 2.13 0.07 0.89 4.77 -1.26 -4.32 117.00 124.49 1vre n LEU 73 Ca -0.06 0.07 0.09 0.00 -0.03 0.00 0.00 56.01 56.08 1vre n LEU 73 Cb 0.44 -0.62 -0.04 0.00 -2.33 0.00 0.00 43.42 40.87 1vre n LEU 73 CO 0.07 0.77 -0.16 0.61 -1.33 0.00 0.00 177.39 177.35 1vre n GLY 74 N 2.00 -1.35 0.96 -0.72 0.00 -1.26 -4.77 105.19 100.05 1vre n GLY 74 Ca -0.36 -0.25 -0.07 0.00 0.00 0.00 0.00 46.02 45.34 1vre n GLY 74 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1vre n ASP 75 N -2.66 0.07 -2.69 1.61 8.00 -1.26 -5.00 116.55 114.62 1vre n ASP 75 Ca -0.03 -1.14 -0.06 0.00 0.71 0.00 0.00 54.79 54.27 1vre n ASP 75 Cb 0.61 -0.24 0.08 0.00 -0.02 0.00 0.00 41.12 41.55 1vre n ASP 75 CO 0.00 0.00 0.00 1.21 -0.39 0.00 0.00 177.20 178.02 1vre n GLU 76 N -1.66 0.81 -0.12 -1.24 2.13 -1.26 -4.85 120.64 114.45 1vre n GLU 76 Ca 0.04 -1.43 -0.20 0.00 0.66 0.00 0.00 57.16 56.23 1vre n GLU 76 Cb 0.14 -0.13 -0.07 0.00 0.27 0.00 0.00 31.44 31.65 1vre n GLU 76 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1vre n GLY 77 N -0.42 -0.51 0.00 8.31 0.00 -1.26 -4.83 105.19 106.48 1vre n GLY 77 Ca -0.10 -0.22 0.00 0.00 0.00 0.00 0.00 46.02 45.71 1vre n GLY 77 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1vre n LYS 78 N -4.36 2.60 -0.04 1.61 4.81 -1.26 -4.57 118.16 116.96 1vre n LYS 78 Ca -0.35 0.00 -0.10 0.00 -0.87 0.00 0.00 58.31 56.98 1vre n LYS 78 Cb 0.71 -0.89 -0.07 0.00 0.02 0.00 0.00 35.03 34.79 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 -0.36 0.00 1.64 4.05 -1.89 0.58 114.93 118.95 1vre h MET 79 Ca 0.00 0.02 0.00 0.00 -0.28 0.00 0.00 59.70 59.44 1vre h MET 79 Cb 0.78 0.08 0.00 0.00 -0.80 0.00 0.00 31.60 31.66 1vre h MET 79 CO 0.00 -0.24 0.00 0.28 0.23 0.00 0.00 176.91 177.18 1vre h VAL 80 N -0.37 0.00 0.00 -5.77 2.07 -1.87 -0.56 116.25 109.75 1vre h VAL 80 Ca 0.03 -0.11 0.00 0.00 0.82 0.00 0.00 66.70 67.45 1vre h VAL 80 Cb 0.46 0.75 0.00 0.00 -1.52 0.00 0.00 31.29 30.98 1vre h VAL 80 CO -0.35 0.00 -0.00 0.00 0.02 0.00 0.00 177.57 177.24 1vre n ALA 81 N -1.82 2.30 -0.14 1.67 0.00 0.19 -2.78 120.51 119.93 1vre n ALA 81 Ca -0.00 -0.05 -0.27 0.00 0.00 0.00 0.00 53.44 53.11 1vre n ALA 81 Cb 0.12 -1.47 -0.10 0.00 0.00 0.00 0.00 19.45 17.99 1vre n ALA 81 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 1vre n GLU 82 N -1.97 0.60 -0.18 0.00 4.07 -0.23 -4.19 120.64 118.74 1vre n GLU 82 Ca 0.06 0.25 -0.07 0.00 -0.06 0.00 0.00 57.16 57.35 1vre n GLU 82 Cb 0.40 -1.51 0.03 0.00 -0.06 0.00 0.00 31.44 30.29 1vre n GLU 82 CO 0.00 0.00 0.00 0.52 -0.06 0.00 0.00 177.13 177.59 1vre h MET 83 N -0.81 0.67 -0.90 5.31 2.86 -1.64 0.42 114.93 120.84 1vre h MET 83 Ca -0.67 -0.04 0.26 0.00 -2.06 0.00 0.00 59.70 57.19 1vre h MET 83 Cb 1.66 -0.15 -0.04 0.00 0.06 0.00 0.00 31.60 33.13 1vre h MET 83 CO -0.35 0.44 0.64 0.87 1.06 0.00 0.00 176.91 179.57 1vre h LYS 84 N 0.69 0.04 0.15 1.72 1.57 -0.92 0.40 116.57 120.21 1vre h LYS 84 Ca 0.19 -0.00 -0.30 0.00 -1.87 0.00 0.00 60.65 58.67 1vre h LYS 84 Cb -0.06 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.24 1vre h LYS 84 CO -0.05 0.03 -1.45 0.00 -0.57 0.00 0.00 179.45 177.40 1vre h ALA 85 N 1.56 0.15 0.12 3.86 0.00 -1.16 -3.19 119.26 120.59 1vre h ALA 85 Ca 0.43 -1.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.34 1vre h ALA 85 Cb 1.67 0.19 -0.01 0.00 0.00 0.00 0.00 17.79 19.65 1vre h ALA 85 CO -0.03 1.02 -0.09 0.28 0.00 0.00 0.00 179.25 180.44 1vre h VAL 86 N 0.08 0.81 -0.44 0.00 2.07 0.14 -2.44 116.25 116.47 1vre h VAL 86 Ca -0.22 0.00 0.08 0.00 0.82 0.00 0.00 66.70 67.38 1vre h VAL 86 Cb 2.03 0.81 -0.07 0.00 -1.52 0.00 0.00 31.29 32.54 1vre h VAL 86 CO 0.19 0.00 0.01 1.23 0.02 0.00 0.00 177.57 179.02 1vre h GLY 87 N -0.21 0.45 -0.26 2.17 0.00 -1.28 0.37 103.07 104.30 1vre h GLY 87 Ca -0.00 0.05 0.29 0.00 0.00 0.00 0.00 47.33 47.66 1vre h GLY 87 CO -0.00 -0.11 0.85 -2.08 0.00 0.00 0.00 176.54 175.20 1vre h VAL 88 N 0.12 0.29 -0.26 4.60 2.07 -1.37 0.72 116.25 122.43 1vre h VAL 88 Ca 0.22 0.00 -0.12 0.00 0.82 0.00 0.00 66.70 67.61 1vre h VAL 88 Cb 0.31 0.37 -0.00 0.00 -1.52 0.00 0.00 31.29 30.45 1vre h VAL 88 CO -0.35 0.00 -0.32 0.03 0.02 0.00 0.00 177.57 176.95 1vre h ARG 89 N 0.00 0.68 0.00 1.57 2.47 -0.03 -2.41 114.38 116.66 1vre h ARG 89 Ca 0.48 -0.38 0.00 0.00 -1.26 0.00 0.00 59.98 58.82 1vre h ARG 89 Cb 2.17 0.02 0.00 0.00 -1.65 0.00 0.00 29.97 30.52 1vre h ARG 89 CO -0.01 0.99 0.00 0.72 0.56 0.00 0.00 179.97 182.24 1vre n HIS 90 N -4.26 0.40 0.37 3.04 8.25 0.25 -2.00 115.22 121.26 1vre n HIS 90 Ca -0.04 0.18 0.10 0.00 -0.26 0.00 0.00 57.72 57.69 1vre n HIS 90 Cb 0.49 -0.79 0.43 0.00 1.12 0.00 0.00 29.99 31.24 1vre n HIS 90 CO 0.00 0.00 0.00 1.17 0.64 0.00 0.00 176.34 178.15 1vre n LYS 91 N -1.88 0.13 -2.81 -0.41 4.81 -0.91 -3.86 118.16 113.22 1vre n LYS 91 Ca 0.01 0.41 -0.11 0.00 -0.87 0.00 0.00 58.31 57.76 1vre n LYS 91 Cb 0.12 -1.77 0.07 0.00 0.02 0.00 0.00 35.03 33.47 1vre n LYS 91 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1vre n GLY 92 N -0.26 1.25 0.98 3.14 0.00 -0.85 -4.80 105.19 104.66 1vre n GLY 92 Ca 0.02 -0.35 -0.06 0.00 0.00 0.00 0.00 46.02 45.63 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 0.26 -3.27 -0.01 1.61 4.02 -1.24 -4.94 117.16 113.58 1vre n TYR 93 Ca 0.09 -0.44 -0.01 0.00 -0.01 0.00 0.00 57.90 57.53 1vre n TYR 93 Cb 0.71 -0.19 0.27 0.00 -0.02 0.00 0.00 39.34 40.11 1vre n TYR 93 CO 0.00 0.00 0.00 0.78 -1.01 0.00 0.00 176.86 176.63 1vre h GLY 94 N -0.15 0.59 0.00 2.72 0.00 -1.95 -3.24 103.07 101.05 1vre h GLY 94 Ca -0.08 -0.36 -0.01 0.00 0.00 0.00 0.00 47.33 46.87 1vre h GLY 94 CO 0.09 0.34 -0.17 -0.57 0.00 0.00 0.00 176.54 176.23 1vre h ASN 95 N 0.53 0.00 0.00 0.19 -1.24 -1.91 -3.47 115.58 109.68 1vre h ASN 95 Ca 0.11 -0.09 0.00 0.00 0.71 0.00 0.00 56.30 57.03 1vre h ASN 95 Cb 0.37 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.42 1vre h ASN 95 CO 0.01 0.63 0.00 2.29 -1.29 0.00 0.00 177.43 179.08 1vre n LYS 96 N -4.71 0.00 -1.04 6.67 2.85 -1.22 -4.82 118.16 115.87 1vre n LYS 96 Ca -0.04 0.00 -0.22 0.00 -1.05 0.00 0.00 58.31 57.00 1vre n LYS 96 Cb 0.13 -1.08 0.04 0.00 -0.65 0.00 0.00 35.03 33.47 1vre n LYS 96 CO 0.00 0.00 0.00 0.72 -0.05 0.00 0.00 177.40 178.07 1vre n HIS 97 N -1.97 1.97 -1.41 5.58 8.25 -1.26 -4.91 115.22 121.46 1vre n HIS 97 Ca 0.00 -2.23 -0.30 0.00 -0.26 0.00 0.00 57.72 54.93 1vre n HIS 97 Cb 0.00 -1.10 0.11 0.00 1.12 0.00 0.00 29.99 30.11 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 -2.94 2.99 -0.06 1.59 1.01 -1.26 -5.07 121.20 117.46 1vre s ILE 98 Ca 0.41 0.32 -0.07 0.00 0.00 0.00 0.00 60.65 61.32 1vre s ILE 98 Cb 0.32 -2.96 0.02 0.00 0.01 0.00 0.00 42.46 39.85 1vre s ILE 98 CO -0.02 -0.42 0.18 -0.54 0.00 0.00 0.00 174.94 174.13 1vre s LYS 99 N -5.05 0.26 0.00 2.79 3.01 -1.26 -4.96 119.74 114.53 1vre s LYS 99 Ca 0.62 0.14 0.16 0.00 -1.01 0.00 0.00 55.97 55.87 1vre s LYS 99 Cb -0.16 0.12 0.88 0.00 -1.01 0.00 0.00 37.83 37.66 1vre s LYS 99 CO 0.55 -0.04 1.57 0.00 0.51 0.00 0.00 175.35 177.94 1vre n ALA 100 N 2.70 2.58 0.05 5.17 0.00 -1.26 -3.41 120.51 126.34 1vre n ALA 100 Ca -0.14 -0.14 -0.12 0.00 0.00 0.00 0.00 53.44 53.04 1vre n ALA 100 Cb 0.58 -1.23 -0.13 0.00 0.00 0.00 0.00 19.45 18.67 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 0.22 0.12 0.00 0.00 4.39 -2.03 -3.25 114.58 114.03 1vre h GLU 101 Ca 0.00 -0.20 0.00 0.00 0.34 0.00 0.00 59.36 59.50 1vre h GLU 101 Cb 0.05 0.07 0.00 0.00 -0.10 0.00 0.00 28.75 28.77 1vre h GLU 101 CO 0.00 0.95 0.00 0.66 -1.16 0.00 0.00 179.01 179.46 1vre n TYR 102 N -3.33 0.14 0.39 4.33 4.02 -1.22 -3.80 117.16 117.69 1vre n TYR 102 Ca -0.11 0.05 -0.16 0.00 -0.01 0.00 0.00 57.90 57.67 1vre n TYR 102 Cb 1.01 -0.57 -0.07 0.00 -0.02 0.00 0.00 39.34 39.68 1vre n TYR 102 CO 0.00 0.00 0.00 0.74 -1.01 0.00 0.00 176.86 176.59 1vre h PHE 103 N 0.00 -0.94 -0.20 -0.72 -1.00 -1.73 0.20 116.94 112.55 1vre h PHE 103 Ca 0.00 -0.02 0.05 0.00 2.81 0.00 0.00 57.97 60.81 1vre h PHE 103 Cb 0.42 0.31 -0.07 0.00 3.61 0.00 0.00 35.95 40.22 1vre h PHE 103 CO 0.00 -0.59 -0.35 0.93 -1.61 0.00 0.00 178.31 176.69 1vre h GLU 104 N -1.14 -0.38 0.08 1.51 3.07 -1.76 0.63 114.58 116.60 1vre h GLU 104 Ca -0.10 0.03 0.01 0.00 -0.50 0.00 0.00 59.36 58.79 1vre h GLU 104 Cb 0.78 0.09 -0.04 0.00 -0.84 0.00 0.00 28.75 28.74 1vre h GLU 104 CO 0.17 -0.25 -0.39 -1.35 -1.40 0.00 0.00 179.01 175.79 1vre h PRO 105 N -0.39 -0.53 -0.19 2.33 0.11 -1.69 0.54 132.00 132.17 1vre h PRO 105 Ca 0.11 0.04 0.05 0.00 0.11 0.00 0.00 66.00 66.31 1vre h PRO 105 Cb 0.57 0.12 -0.01 0.00 0.11 0.00 0.00 31.00 31.79 1vre h PRO 105 CO -0.41 -0.36 0.25 1.25 -0.21 0.00 0.00 178.00 178.52 1vre h LEU 106 N -0.55 0.00 0.02 2.35 7.12 -0.53 -0.24 115.31 123.48 1vre h LEU 106 Ca -0.00 0.00 -0.13 0.00 0.13 0.00 0.00 57.88 57.88 1vre h LEU 106 Cb 0.56 0.00 0.01 0.00 -0.53 0.00 0.00 40.66 40.70 1vre h LEU 106 CO -0.22 0.00 -0.51 1.23 -0.13 0.00 0.00 178.44 178.81 1vre h GLY 107 N 0.00 0.34 1.22 3.75 0.00 0.33 -2.70 103.07 106.02 1vre h GLY 107 Ca 0.09 -0.64 -0.10 0.00 0.00 0.00 0.00 47.33 46.68 1vre h GLY 107 CO -0.00 0.57 -0.09 0.00 0.00 0.00 0.00 176.54 177.02 1vre h ALA 108 N 0.25 0.89 0.00 3.60 0.00 0.13 -2.15 119.26 121.97 1vre h ALA 108 Ca -0.07 -0.33 -0.00 0.00 0.00 0.00 0.00 54.91 54.51 1vre h ALA 108 Cb 1.27 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 18.87 1vre h ALA 108 CO 0.10 0.64 -0.02 0.77 0.00 0.00 0.00 179.25 180.74 1vre h SER 109 N 0.83 0.00 -0.06 0.00 0.02 -1.17 -2.78 113.55 110.39 1vre h SER 109 Ca 0.14 0.00 -0.24 0.00 -0.84 0.00 0.00 61.79 60.85 1vre h SER 109 Cb 0.61 0.00 0.01 0.00 0.14 0.00 0.00 62.40 63.17 1vre h SER 109 CO 0.04 0.02 -0.90 0.25 -1.14 0.00 0.00 176.83 175.10 1vre h LEU 110 N 0.00 0.91 -1.72 5.07 6.46 -1.04 -3.09 115.31 121.90 1vre h LEU 110 Ca -0.00 -0.66 -0.03 0.00 -0.12 0.00 0.00 57.88 57.07 1vre h LEU 110 Cb 0.43 -0.27 -0.00 0.00 -0.73 0.00 0.00 40.66 40.09 1vre h LEU 110 CO 0.00 1.46 -0.13 -0.07 -0.62 0.00 0.00 178.44 179.08 1vre h LEU 111 N 0.47 0.01 -0.92 2.25 3.38 -1.35 -0.98 115.31 118.15 1vre h LEU 111 Ca -0.09 -0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.81 1vre h LEU 111 Cb 1.54 -0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.28 1vre h LEU 111 CO 0.18 0.14 -0.33 -1.28 0.09 0.00 0.00 178.44 177.24 1vre h SER 112 N 0.01 0.00 0.26 -0.43 0.87 -1.52 -3.18 113.55 109.57 1vre h SER 112 Ca 0.00 0.00 -0.34 0.00 -1.23 0.00 0.00 61.79 60.22 1vre h SER 112 Cb 0.24 0.00 0.01 0.00 -0.44 0.00 0.00 62.40 62.21 1vre h SER 112 CO 0.02 0.33 -1.69 0.00 -0.53 0.00 0.00 176.83 174.96 1vre h ALA 113 N 1.67 0.18 -0.83 6.23 0.00 -1.16 -3.35 119.26 122.00 1vre h ALA 113 Ca -0.00 -1.13 0.21 0.00 0.00 0.00 0.00 54.91 53.98 1vre h ALA 113 Cb 0.88 0.41 -0.13 0.00 0.00 0.00 0.00 17.79 18.95 1vre h ALA 113 CO 0.04 1.05 0.20 0.52 0.00 0.00 0.00 179.25 181.07 1vre h MET 114 N 0.10 0.22 -0.56 0.00 2.07 -1.25 0.91 114.93 116.42 1vre h MET 114 Ca -0.32 -0.01 0.16 0.00 -2.07 0.00 0.00 59.70 57.46 1vre h MET 114 Cb 2.08 -0.05 -0.02 0.00 -1.87 0.00 0.00 31.60 31.74 1vre h MET 114 CO 0.18 0.14 0.66 1.49 1.07 0.00 0.00 176.91 180.45 1vre h GLU 115 N 0.22 0.00 -0.81 1.72 4.81 -1.69 0.33 114.58 119.17 1vre h GLU 115 Ca 0.50 0.00 0.07 0.00 -0.13 0.00 0.00 59.36 59.80 1vre h GLU 115 Cb 0.96 0.00 -0.05 0.00 0.63 0.00 0.00 28.75 30.29 1vre h GLU 115 CO -0.61 0.00 0.53 0.45 -0.73 0.00 0.00 179.01 178.65 1vre h HIS 116 N 0.00 0.90 0.00 0.92 3.86 0.66 -0.62 115.15 120.88 1vre h HIS 116 Ca 0.27 0.02 0.00 0.00 -1.16 0.00 0.00 60.37 59.50 1vre h HIS 116 Cb 1.59 -0.30 0.00 0.00 1.06 0.00 0.00 27.41 29.76 1vre h HIS 116 CO 0.00 0.47 0.00 -2.13 0.86 0.00 0.00 177.93 177.13 1vre n ARG 117 N -4.48 0.00 -1.26 2.45 0.63 0.12 -4.26 116.66 109.86 1vre n ARG 117 Ca 0.12 0.39 -0.25 0.00 -0.92 0.00 0.00 57.85 57.19 1vre n ARG 117 Cb 0.22 -0.88 -0.10 0.00 0.45 0.00 0.00 32.46 32.15 1vre n ARG 117 CO 0.00 0.00 0.00 0.44 -2.51 0.00 0.00 177.63 175.56 1vre n ILE 118 N -2.04 3.66 -1.68 5.15 -5.35 -1.17 -4.93 119.36 113.00 1vre n ILE 118 Ca 0.00 -2.30 -0.43 0.00 -0.27 0.00 0.00 62.75 59.75 1vre n ILE 118 Cb 0.00 -2.14 -0.03 0.00 -1.74 0.00 0.00 39.64 35.73 1vre n ILE 118 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1vre n GLY 119 N 2.53 1.71 0.14 3.28 0.00 -0.24 -1.10 105.19 111.50 1vre n GLY 119 Ca 0.57 0.75 0.00 0.00 0.00 0.00 0.00 46.02 47.33 1vre n GLY 119 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1vre n GLY 120 N 4.31 3.03 0.07 -0.02 0.00 -1.26 -4.76 105.19 106.55 1vre n GLY 120 Ca 0.19 -0.58 -0.09 0.00 0.00 0.00 0.00 46.02 45.54 1vre n GLY 120 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1vre h LYS 121 N 0.00 0.03 -5.29 1.61 1.57 -1.50 -3.41 116.57 109.58 1vre h LYS 121 Ca 0.00 -0.05 -0.15 0.00 -1.87 0.00 0.00 60.65 58.58 1vre h LYS 121 Cb 0.00 0.02 -0.02 0.00 0.08 0.00 0.00 32.23 32.31 1vre h LYS 121 CO 0.00 0.81 0.46 1.41 -0.57 0.00 0.00 179.45 181.56 1vre s MET 122 N -2.65 1.75 0.00 3.15 1.75 -0.51 -4.86 119.30 117.93 1vre s MET 122 Ca -0.03 -0.62 0.00 0.00 -1.25 0.00 0.00 55.69 53.80 1vre s MET 122 Cb 0.09 -5.06 0.00 0.00 2.84 0.00 0.00 34.83 32.69 1vre s MET 122 CO 0.83 -4.77 0.00 0.27 -0.65 0.00 0.00 175.02 170.69 1vre n ASN 123 N 17.42 0.00 -0.09 1.11 0.23 -1.26 -4.76 115.26 127.91 1vre n ASN 123 Ca 0.43 -0.87 -0.10 0.00 -0.53 0.00 0.00 54.58 53.51 1vre n ASN 123 Cb 0.46 0.00 -0.03 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 -1.22 0.37 -0.12 -2.53 0.00 -1.98 -1.58 119.26 112.19 1vre h ALA 124 Ca 0.00 -0.16 0.03 0.00 0.00 0.00 0.00 54.91 54.79 1vre h ALA 124 Cb 0.00 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 17.68 1vre h ALA 124 CO 0.00 0.01 0.16 0.00 0.00 0.00 0.00 179.25 179.42 1vre h ALA 125 N 0.91 1.63 0.00 0.00 0.00 -1.96 1.06 119.26 120.90 1vre h ALA 125 Ca 0.09 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.99 1vre h ALA 125 Cb 0.26 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.06 1vre h ALA 125 CO -0.00 -0.22 -0.03 0.00 0.00 0.00 0.00 179.25 179.00 1vre h ALA 126 N 1.79 0.00 0.00 0.00 0.00 -1.66 -1.16 119.26 118.22 1vre h ALA 126 Ca 0.06 -0.11 -0.05 0.00 0.00 0.00 0.00 54.91 54.81 1vre h ALA 126 Cb 0.38 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 1vre h ALA 126 CO -0.00 0.03 -0.25 1.57 0.00 0.00 0.00 179.25 180.60 1vre h LYS 127 N -1.00 0.00 0.24 0.00 2.10 -0.99 -0.82 116.57 116.10 1vre h LYS 127 Ca -0.00 0.00 -0.34 0.00 -2.00 0.00 0.00 60.65 58.31 1vre h LYS 127 Cb 0.19 0.00 0.03 0.00 -0.90 0.00 0.00 32.23 31.55 1vre h LYS 127 CO -0.00 0.25 -1.51 0.22 -2.00 0.00 0.00 179.45 176.40 1vre h ASP 128 N 0.00 0.80 -0.31 7.07 3.58 0.11 -1.64 116.42 126.03 1vre h ASP 128 Ca -0.00 -0.90 -0.13 0.00 0.42 0.00 0.00 57.03 56.42 1vre h ASP 128 Cb 0.62 -0.26 -0.00 0.00 1.72 0.00 0.00 39.33 41.40 1vre h ASP 128 CO 0.03 1.71 -0.33 0.00 -2.88 0.00 0.00 179.24 177.77 1vre h ALA 129 N 0.17 0.46 0.00 -0.78 0.00 -1.03 -2.38 119.26 115.70 1vre h ALA 129 Ca -0.26 -0.42 -0.07 0.00 0.00 0.00 0.00 54.91 54.16 1vre h ALA 129 Cb 2.16 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 19.84 1vre h ALA 129 CO 0.26 0.51 -0.31 -1.49 0.00 0.00 0.00 179.25 178.22 1vre h TRP 130 N 0.53 0.00 0.00 0.00 4.06 -1.26 -1.64 115.95 117.65 1vre h TRP 130 Ca 0.05 0.00 -0.07 0.00 2.06 0.00 0.00 58.89 60.93 1vre h TRP 130 Cb 0.91 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 29.06 1vre h TRP 130 CO 0.07 0.31 -0.32 0.00 -3.56 0.00 0.00 178.44 174.94 1vre h ALA 131 N 1.69 0.93 0.13 1.49 0.00 -1.06 -0.45 119.26 121.98 1vre h ALA 131 Ca -0.00 -0.29 -0.36 0.00 0.00 0.00 0.00 54.91 54.26 1vre h ALA 131 Cb 0.93 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.65 1vre h ALA 131 CO 0.04 0.40 -1.92 0.00 0.00 0.00 0.00 179.25 177.76 1vre h ALA 132 N 1.68 0.39 -0.14 0.00 0.00 -1.12 -3.34 119.26 116.74 1vre h ALA 132 Ca -0.00 -1.35 -0.08 0.00 0.00 0.00 0.00 54.91 53.48 1vre h ALA 132 Cb 0.95 0.68 -0.00 0.00 0.00 0.00 0.00 17.79 19.41 1vre h ALA 132 CO 0.04 1.24 -0.23 0.00 0.00 0.00 0.00 179.25 180.30 1vre h ALA 133 N 0.05 0.21 -1.00 0.00 0.00 -1.33 -2.93 119.26 114.26 1vre h ALA 133 Ca -0.41 -0.38 0.27 0.00 0.00 0.00 0.00 54.91 54.40 1vre h ALA 133 Cb 2.00 -0.04 -0.06 0.00 0.00 0.00 0.00 17.79 19.70 1vre h ALA 133 CO 0.08 0.17 0.69 1.88 0.00 0.00 0.00 179.25 182.08 1vre h TYR 134 N 0.00 0.23 -0.18 0.00 -1.99 -1.26 1.02 116.97 114.79 1vre h TYR 134 Ca 0.01 0.01 -0.18 0.00 2.00 0.00 0.00 58.73 60.57 1vre h TYR 134 Cb 0.80 -0.07 -0.00 0.00 2.00 0.00 0.00 36.73 39.46 1vre h TYR 134 CO 0.10 0.04 -0.61 0.00 -0.00 0.00 0.00 178.16 177.68 1vre h ALA 135 N 1.54 0.59 0.06 3.88 0.00 -1.63 -1.73 119.26 121.97 1vre h ALA 135 Ca 0.50 -0.54 -0.24 0.00 0.00 0.00 0.00 54.91 54.63 1vre h ALA 135 Cb 1.71 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 19.42 1vre h ALA 135 CO -0.09 0.70 -1.09 -0.44 0.00 0.00 0.00 179.25 178.32 1vre h ASP 136 N 0.46 0.26 0.68 0.00 5.19 0.41 0.14 116.42 123.56 1vre h ASP 136 Ca -0.00 -0.26 -0.03 0.00 -0.62 0.00 0.00 57.03 56.11 1vre h ASP 136 Cb 1.18 -0.08 0.01 0.00 0.18 0.00 0.00 39.33 40.61 1vre h ASP 136 CO 0.12 1.18 -0.32 0.40 -3.12 0.00 0.00 179.24 177.49 1vre h ILE 137 N 0.06 0.00 -0.42 0.35 2.04 0.76 -2.34 117.51 117.96 1vre h ILE 137 Ca -0.08 -0.27 -0.10 0.00 1.00 0.00 0.00 64.86 65.41 1vre h ILE 137 Cb 1.81 0.00 -0.02 0.00 -0.74 0.00 0.00 36.82 37.88 1vre h ILE 137 CO 0.17 0.00 -0.15 0.28 0.00 0.00 0.00 178.15 178.45 1vre h SER 138 N -1.18 0.78 -0.70 1.72 0.02 -1.44 -2.91 113.55 109.84 1vre h SER 138 Ca -0.09 -0.25 0.12 0.00 -0.84 0.00 0.00 61.79 60.73 1vre h SER 138 Cb 0.70 -0.21 -0.09 0.00 0.14 0.00 0.00 62.40 62.94 1vre h SER 138 CO 0.15 0.94 0.27 1.23 -1.14 0.00 0.00 176.83 178.28 1vre h GLY 139 N 0.97 1.02 2.00 -3.77 0.00 -0.97 0.59 103.07 102.92 1vre h GLY 139 Ca 0.11 -0.14 0.00 0.00 0.00 0.00 0.00 47.33 47.31 1vre h GLY 139 CO 0.04 -0.06 0.00 0.00 0.00 0.00 0.00 176.54 176.52 1vre h ALA 140 N 1.50 1.00 0.00 3.60 0.00 -1.21 -1.58 119.26 122.56 1vre h ALA 140 Ca 0.37 0.00 -0.10 0.00 0.00 0.00 0.00 54.91 55.18 1vre h ALA 140 Cb 0.52 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.29 1vre h ALA 140 CO -0.36 0.00 -1.06 1.25 0.00 0.00 0.00 179.25 179.07 1vre h LEU 141 N 0.00 0.00 -0.35 0.00 6.46 0.15 -0.63 115.31 120.94 1vre h LEU 141 Ca 0.00 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.76 1vre h LEU 141 Cb 0.20 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.13 1vre h LEU 141 CO 0.00 0.38 0.00 -0.38 -0.62 0.00 0.00 178.44 177.82 1vre n ILE 142 N -2.90 0.11 0.03 4.05 5.41 -0.60 -3.35 119.36 122.11 1vre n ILE 142 Ca -0.04 -0.12 -0.17 0.00 1.00 0.00 0.00 62.75 63.42 1vre n ILE 142 Cb 0.73 0.01 -0.14 0.00 -0.71 0.00 0.00 39.64 39.52 1vre n ILE 142 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 176.55 176.83 1vre h SER 143 N 0.59 0.33 -0.35 4.38 0.02 -1.62 -3.34 113.55 113.56 1vre h SER 143 Ca 0.00 -0.56 0.00 0.00 -0.84 0.00 0.00 61.79 60.39 1vre h SER 143 Cb 0.13 -0.11 0.00 0.00 0.14 0.00 0.00 62.40 62.57 1vre h SER 143 CO 0.00 1.48 0.00 0.61 -1.14 0.00 0.00 176.83 177.78 1vre n GLY 144 N 1.74 1.71 2.23 -3.77 0.00 -1.23 -4.97 105.19 100.90 1vre n GLY 144 Ca -0.21 -0.59 -0.13 0.00 0.00 0.00 0.00 46.02 45.09 1vre n GLY 144 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1vre n LEU 145 N 1.14 0.00 -2.90 0.99 0.00 -1.21 -3.09 117.00 111.93 1vre n LEU 145 Ca 0.16 -1.20 -0.08 0.00 0.00 0.00 0.00 56.01 54.89 1vre n LEU 145 Cb 0.51 -0.38 0.01 0.00 0.00 0.00 0.00 43.42 43.56 1vre n LEU 145 CO 0.13 -0.79 -0.20 0.00 0.00 0.00 0.00 177.39 176.52 1vre n GLN 146 N -2.09 -2.57 0.00 1.96 6.02 -1.26 -4.96 117.38 114.48 1vre n GLN 146 Ca 0.09 2.18 0.00 0.00 -0.01 0.00 0.00 57.00 59.27 1vre n GLN 146 Cb 0.34 -4.88 0.00 0.00 1.02 0.00 0.00 30.24 26.72 1vre n GLN 146 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.06 176.50