#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 1.79 0.00 0.99 1.43 -1.26 -4.84 118.68 116.79 1vre s LEU 2 Ca 0.00 -0.88 0.01 0.00 -1.03 0.00 0.00 54.13 52.23 1vre s LEU 2 Cb 0.00 0.66 -0.00 0.00 0.03 0.00 0.00 46.19 46.87 1vre s LEU 2 CO 0.00 -0.71 0.04 -1.54 0.23 0.00 0.00 176.35 174.38 1vre n SER 3 N -0.03 -0.11 0.08 2.29 3.41 -1.26 -5.00 113.62 113.01 1vre n SER 3 Ca -0.12 -1.30 -0.14 0.00 -0.26 0.00 0.00 58.87 57.05 1vre n SER 3 Cb 0.62 0.24 -0.06 0.00 -0.26 0.00 0.00 64.21 64.75 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 1.18 0.31 0.01 7.33 0.00 -2.02 -1.99 119.26 124.08 1vre h ALA 4 Ca -0.03 -0.74 -0.22 0.00 0.00 0.00 0.00 54.91 53.91 1vre h ALA 4 Cb 0.17 -0.01 0.02 0.00 0.00 0.00 0.00 17.79 17.96 1vre h ALA 4 CO 0.05 0.84 -0.88 0.00 0.00 0.00 0.00 179.25 179.26 1vre h ALA 5 N 0.71 0.09 -0.12 0.00 0.00 -1.98 -2.55 119.26 115.41 1vre h ALA 5 Ca -0.09 -0.65 -0.02 0.00 0.00 0.00 0.00 54.91 54.15 1vre h ALA 5 Cb 1.66 0.05 -0.00 0.00 0.00 0.00 0.00 17.79 19.50 1vre h ALA 5 CO 0.17 0.54 -0.01 1.96 0.00 0.00 0.00 179.25 181.92 1vre h GLN 6 N 0.16 0.22 0.00 0.00 4.20 -1.96 0.17 115.11 117.91 1vre h GLN 6 Ca -0.11 -0.07 -0.00 0.00 0.06 0.00 0.00 58.65 58.52 1vre h GLN 6 Cb 1.56 -0.02 -0.00 0.00 0.30 0.00 0.00 27.48 29.32 1vre h GLN 6 CO 0.17 0.47 -0.02 -0.09 -0.67 0.00 0.00 178.83 178.70 1vre h ARG 7 N -0.06 0.00 0.02 1.46 2.43 -1.44 -2.45 114.38 114.33 1vre h ARG 7 Ca 0.03 0.00 -0.09 0.00 -0.81 0.00 0.00 59.98 59.11 1vre h ARG 7 Cb 0.38 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.92 1vre h ARG 7 CO 0.01 0.02 -0.48 0.37 -1.51 0.00 0.00 179.97 178.37 1vre h GLN 8 N 0.00 0.03 -0.63 0.20 5.75 -0.97 -3.29 115.11 116.21 1vre h GLN 8 Ca -0.00 -0.06 0.18 0.00 -0.15 0.00 0.00 58.65 58.62 1vre h GLN 8 Cb 0.05 0.02 -0.03 0.00 1.07 0.00 0.00 27.48 28.60 1vre h GLN 8 CO 0.00 1.03 0.56 0.28 -2.65 0.00 0.00 178.83 178.05 1vre h VAL 9 N -0.92 0.43 0.17 2.39 2.07 -0.25 -0.15 116.25 119.99 1vre h VAL 9 Ca -0.12 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.39 1vre h VAL 9 Cb 1.17 0.58 0.00 0.00 -1.52 0.00 0.00 31.29 31.52 1vre h VAL 9 CO -0.04 0.00 -0.08 0.58 0.02 0.00 0.00 177.57 178.04 1vre h VAL 10 N 0.00 0.93 0.00 2.57 2.07 -1.52 -0.98 116.25 119.33 1vre h VAL 10 Ca 0.30 -0.51 0.00 0.00 0.82 0.00 0.00 66.70 67.30 1vre h VAL 10 Cb 1.41 1.25 0.00 0.00 -1.52 0.00 0.00 31.29 32.43 1vre h VAL 10 CO -0.00 0.12 0.00 0.00 0.02 0.00 0.00 177.57 177.71 1vre h ALA 11 N 0.30 1.00 0.00 1.67 0.00 -1.17 -0.81 119.26 120.25 1vre h ALA 11 Ca -0.02 0.00 -0.09 0.00 0.00 0.00 0.00 54.91 54.80 1vre h ALA 11 Cb 0.37 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 1vre h ALA 11 CO 0.04 0.00 -0.55 1.03 0.00 0.00 0.00 179.25 179.77 1vre h SER 12 N 0.00 0.00 0.01 0.00 0.87 -0.83 -2.98 113.55 110.63 1vre h SER 12 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 1vre h SER 12 Cb 0.43 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.39 1vre h SER 12 CO 0.00 0.38 -1.31 0.35 -0.53 0.00 0.00 176.83 175.72 1vre n THR 13 N -3.13 0.00 0.00 2.23 -2.24 -0.41 -4.28 114.28 106.46 1vre n THR 13 Ca 0.01 -0.16 -0.05 0.00 -2.27 0.00 0.00 64.05 61.58 1vre n THR 13 Cb 0.70 0.67 -0.12 0.00 -2.10 0.00 0.00 70.33 69.48 1vre n THR 13 CO 0.00 0.00 0.00 1.87 -0.57 0.00 0.00 175.07 176.37 1vre n TRP 14 N -1.75 1.01 0.90 4.78 -0.00 -0.36 -2.87 117.44 119.15 1vre n TRP 14 Ca 0.01 0.35 0.11 0.00 -0.00 0.00 0.00 57.50 57.98 1vre n TRP 14 Cb 0.41 -1.15 0.53 0.00 -0.00 0.00 0.00 31.31 31.09 1vre n TRP 14 CO 0.00 0.00 0.00 1.63 -0.00 0.00 0.00 177.69 179.32 1vre n LYS 15 N -2.99 0.10 -0.10 5.87 5.02 -1.12 -1.57 118.16 123.37 1vre n LYS 15 Ca -0.14 0.09 -0.20 0.00 -2.02 0.00 0.00 58.31 56.05 1vre n LYS 15 Cb 0.97 -1.50 -0.08 0.00 -0.02 0.00 0.00 35.03 34.40 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 -1.43 1.72 0.03 4.39 -0.08 -1.25 -3.82 116.55 116.10 1vre n ASP 16 Ca 0.07 0.16 -0.09 0.00 -1.51 0.00 0.00 54.79 53.42 1vre n ASP 16 Cb 0.25 -0.52 0.06 0.00 2.34 0.00 0.00 41.12 43.25 1vre n ASP 16 CO 0.00 0.00 0.00 0.40 0.12 0.00 0.00 177.20 177.72 1vre h ILE 17 N -0.54 1.34 -0.82 5.18 2.04 -1.61 -3.10 117.51 120.01 1vre h ILE 17 Ca -0.49 -1.91 -0.49 0.00 1.00 0.00 0.00 64.86 62.97 1vre h ILE 17 Cb 1.51 1.90 -0.27 0.00 -0.74 0.00 0.00 36.82 39.22 1vre h ILE 17 CO -0.25 0.58 0.40 0.00 0.00 0.00 0.00 178.15 178.89 1vre n ALA 18 N -2.51 5.46 -0.60 1.87 0.00 -0.61 -3.99 120.51 120.13 1vre n ALA 18 Ca -0.03 -3.22 0.00 0.00 0.00 0.00 0.00 53.44 50.19 1vre n ALA 18 Cb 0.63 -1.27 0.00 0.00 0.00 0.00 0.00 19.45 18.82 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 -1.04 -3.03 0.10 0.00 0.00 -1.17 -2.70 105.19 97.35 1vre n GLY 19 Ca 0.53 0.28 -0.13 0.00 0.00 0.00 0.00 46.02 46.70 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 -1.38 2.00 0.26 1.61 3.41 -1.26 -4.37 113.62 113.89 1vre n SER 20 Ca 0.00 -0.09 0.16 0.00 -0.26 0.00 0.00 58.87 58.68 1vre n SER 20 Cb 0.00 -0.02 0.59 0.00 -0.26 0.00 0.00 64.21 64.52 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 -2.24 4.04 2.03 -1.84 -3.46 116.42 114.94 1vre h ASP 21 Ca -0.47 0.00 -0.37 0.00 -0.73 0.00 0.00 57.03 55.46 1vre h ASP 21 Cb 1.80 0.00 -0.08 0.00 -0.83 0.00 0.00 39.33 40.22 1vre h ASP 21 CO -0.05 0.03 -0.41 -3.20 -1.03 0.00 0.00 179.24 174.58 1vre n ASN 22 N -3.13 -5.12 0.00 4.15 5.15 -1.10 -0.82 115.26 114.39 1vre n ASN 22 Ca 0.01 0.24 0.00 0.00 -0.60 0.00 0.00 54.58 54.23 1vre n ASN 22 Cb 0.35 -4.41 0.00 0.00 -0.53 0.00 0.00 39.78 35.19 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 -0.67 0.91 0.32 8.20 0.00 -1.26 -3.78 105.19 108.91 1vre n GLY 23 Ca -0.20 -0.16 -0.12 0.00 0.00 0.00 0.00 46.02 45.53 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 -0.76 0.00 4.61 0.00 -1.27 -0.89 119.26 120.95 1vre h ALA 24 Ca 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.73 1vre h ALA 24 Cb 0.00 0.29 0.00 0.00 0.00 0.00 0.00 17.79 18.08 1vre h ALA 24 CO 0.00 -0.72 0.00 0.41 0.00 0.00 0.00 179.25 178.94 1vre n GLY 25 N -0.22 -1.01 0.14 0.00 0.00 -1.26 -2.17 105.19 100.66 1vre n GLY 25 Ca -0.10 0.05 -0.23 0.00 0.00 0.00 0.00 46.02 45.74 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 1.02 -0.07 1.61 2.07 -1.89 -3.00 116.25 115.99 1vre h VAL 26 Ca 0.00 -2.50 -0.21 0.00 0.82 0.00 0.00 66.70 64.81 1vre h VAL 26 Cb 0.22 2.80 0.00 0.00 -1.52 0.00 0.00 31.29 32.79 1vre h VAL 26 CO 0.00 0.81 -0.83 1.23 0.02 0.00 0.00 177.57 178.80 1vre h GLY 27 N 0.40 0.57 2.00 2.17 0.00 -0.85 0.79 103.07 108.14 1vre h GLY 27 Ca -0.32 -0.88 -0.09 0.00 0.00 0.00 0.00 47.33 46.04 1vre h GLY 27 CO 0.15 0.78 -0.43 0.07 0.00 0.00 0.00 176.54 177.11 1vre h LYS 28 N 0.33 0.00 0.00 4.80 2.10 -1.58 -2.19 116.57 120.03 1vre h LYS 28 Ca -0.06 0.00 -0.02 0.00 -2.00 0.00 0.00 60.65 58.57 1vre h LYS 28 Cb 1.44 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 32.76 1vre h LYS 28 CO 0.15 0.43 -1.58 -0.85 -2.00 0.00 0.00 179.45 175.61 1vre n GLU 29 N -3.53 0.64 -0.02 0.07 0.28 -1.13 -3.94 120.64 113.01 1vre n GLU 29 Ca -0.00 -0.04 -0.01 0.00 -0.16 0.00 0.00 57.16 56.95 1vre n GLU 29 Cb 0.56 -1.66 -0.00 0.00 1.43 0.00 0.00 31.44 31.76 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 -0.33 0.15 -0.09 0.00 0.04 -1.59 0.97 116.94 116.09 1vre h PHE 31 Ca 0.00 0.01 0.03 0.00 2.80 0.00 0.00 57.97 60.81 1vre h PHE 31 Cb 0.13 -0.04 -0.03 0.00 2.20 0.00 0.00 35.95 38.21 1vre h PHE 31 CO -0.06 0.01 -0.10 1.79 -0.60 0.00 0.00 178.31 179.35 1vre h THR 32 N 0.08 0.71 -0.15 -1.55 1.35 -1.73 -0.04 112.91 111.58 1vre h THR 32 Ca 0.58 0.00 0.01 0.00 -0.55 0.00 0.00 66.41 66.45 1vre h THR 32 Cb 2.13 0.71 -0.01 0.00 -1.73 0.00 0.00 68.15 69.25 1vre h THR 32 CO -0.08 0.00 0.09 0.11 -0.25 0.00 0.00 175.52 175.39 1vre h LYS 33 N -0.13 0.18 -0.51 4.72 1.57 -0.94 -1.46 116.57 120.00 1vre h LYS 33 Ca 0.07 -0.01 0.09 0.00 -1.87 0.00 0.00 60.65 58.93 1vre h LYS 33 Cb 0.23 -0.04 -0.08 0.00 0.08 0.00 0.00 32.23 32.43 1vre h LYS 33 CO -0.17 0.12 0.07 0.35 -0.57 0.00 0.00 179.45 179.24 1vre h PHE 34 N 0.18 0.10 -0.63 -1.35 3.57 -1.20 0.54 116.94 118.15 1vre h PHE 34 Ca 0.06 0.03 0.02 0.00 3.53 0.00 0.00 57.97 61.62 1vre h PHE 34 Cb -0.00 0.04 -0.04 0.00 2.79 0.00 0.00 35.95 38.73 1vre h PHE 34 CO -0.08 -0.05 0.39 -0.07 -2.23 0.00 0.00 178.31 176.27 1vre h LEU 35 N 0.19 0.65 0.52 0.59 3.38 -0.56 0.26 115.31 120.33 1vre h LEU 35 Ca 0.26 -0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.20 1vre h LEU 35 Cb 0.37 -0.14 0.01 0.00 0.09 0.00 0.00 40.66 40.98 1vre h LEU 35 CO -0.37 0.45 -0.25 -1.28 0.09 0.00 0.00 178.44 177.09 1vre h SER 36 N 0.78 -0.59 -0.20 -0.43 0.87 -0.08 -2.94 113.55 110.95 1vre h SER 36 Ca 0.25 0.02 0.06 0.00 -1.23 0.00 0.00 61.79 60.89 1vre h SER 36 Cb -0.00 0.15 -0.01 0.00 -0.44 0.00 0.00 62.40 62.10 1vre h SER 36 CO -0.09 -0.22 0.37 0.00 -0.53 0.00 0.00 176.83 176.35 1vre h ALA 37 N -1.29 1.72 -3.46 6.23 0.00 0.05 -3.31 119.26 119.21 1vre h ALA 37 Ca -0.07 -0.01 -0.62 0.00 0.00 0.00 0.00 54.91 54.22 1vre h ALA 37 Cb 0.53 0.01 -0.40 0.00 0.00 0.00 0.00 17.79 17.94 1vre h ALA 37 CO 0.12 -0.47 -0.75 -1.01 0.00 0.00 0.00 179.25 177.13 1vre s HIS 38 N -4.37 2.60 -2.09 0.00 3.76 0.90 -4.95 115.29 111.14 1vre s HIS 38 Ca -0.04 -2.19 0.14 0.00 -0.15 0.00 0.00 55.06 52.82 1vre s HIS 38 Cb 0.12 -2.12 0.57 0.00 1.11 0.00 0.00 32.58 32.27 1vre s HIS 38 CO 0.42 -0.88 1.41 0.72 -0.85 0.00 0.00 174.74 175.56 1vre n HIS 39 N 4.59 0.19 0.23 1.40 -0.00 -1.23 -3.37 115.22 117.04 1vre n HIS 39 Ca -0.02 -0.10 0.11 0.00 -0.00 0.00 0.00 57.72 57.71 1vre n HIS 39 Cb 0.43 0.00 -0.06 0.00 -0.00 0.00 0.00 29.99 30.36 1vre n HIS 39 CO 0.00 0.00 0.00 -0.40 -0.00 0.00 0.00 176.34 175.94 1vre n ASP 40 N -0.02 0.48 -0.01 0.41 5.75 -1.26 -4.24 116.55 117.66 1vre n ASP 40 Ca 0.11 0.01 0.07 0.00 -0.01 0.00 0.00 54.79 54.98 1vre n ASP 40 Cb 0.20 1.12 -0.11 0.00 -1.03 0.00 0.00 41.12 41.30 1vre n ASP 40 CO 0.00 0.00 0.00 0.23 -0.11 0.00 0.00 177.20 177.32 1vre n MET 41 N -2.28 0.54 -0.25 0.11 2.81 -1.22 -4.39 117.12 112.43 1vre n MET 41 Ca -0.01 -0.12 0.06 0.00 -1.81 0.00 0.00 57.70 55.81 1vre n MET 41 Cb 0.52 -1.33 0.18 0.00 -0.71 0.00 0.00 33.22 31.88 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 1.33 0.90 0.00 3.04 0.00 -1.73 0.78 119.26 123.59 1vre h ALA 42 Ca 0.00 0.19 -0.08 0.00 0.00 0.00 0.00 54.91 55.02 1vre h ALA 42 Cb 0.63 0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.70 1vre h ALA 42 CO 0.00 -0.37 -0.40 0.00 0.00 0.00 0.00 179.25 178.47 1vre h ALA 43 N 1.64 0.94 -0.13 0.00 0.00 -1.80 -1.16 119.26 118.76 1vre h ALA 43 Ca 0.41 -0.37 -0.14 0.00 0.00 0.00 0.00 54.91 54.82 1vre h ALA 43 Cb 0.72 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.44 1vre h ALA 43 CO -0.55 0.50 -0.51 0.28 0.00 0.00 0.00 179.25 178.97 1vre h VAL 44 N 0.00 1.34 0.02 0.00 2.07 0.20 -3.03 116.25 116.85 1vre h VAL 44 Ca -0.00 -1.76 -0.21 0.00 0.82 0.00 0.00 66.70 65.54 1vre h VAL 44 Cb 0.97 1.81 -0.02 0.00 -1.52 0.00 0.00 31.29 32.53 1vre h VAL 44 CO 0.05 0.53 -1.00 -0.26 0.02 0.00 0.00 177.57 176.91 1vre h PHE 45 N 0.27 0.12 0.00 1.57 -1.00 -0.44 -3.41 116.94 114.06 1vre h PHE 45 Ca 0.01 -0.08 0.00 0.00 2.81 0.00 0.00 57.97 60.71 1vre h PHE 45 Cb 0.99 -0.01 0.00 0.00 3.61 0.00 0.00 35.95 40.55 1vre h PHE 45 CO 0.03 1.02 0.00 0.41 -1.61 0.00 0.00 178.31 178.15 1vre n GLY 46 N 1.24 1.88 3.49 -1.45 0.00 -0.97 -5.07 105.19 104.32 1vre n GLY 46 Ca -0.02 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.77 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 2.15 -0.67 1.61 0.08 -0.48 -4.99 117.98 113.68 1vre s PHE 47 Ca 0.00 -0.71 0.16 0.00 0.12 0.00 0.00 56.93 56.50 1vre s PHE 47 Cb 0.00 -1.33 -0.18 0.00 -0.57 0.00 0.00 43.02 40.94 1vre s PHE 47 CO 0.00 0.32 0.64 0.45 -0.10 0.00 0.00 175.22 176.53 1vre n SER 48 N -0.72 0.81 -0.48 1.36 2.88 -1.26 -3.80 113.62 112.41 1vre n SER 48 Ca -0.05 -0.78 0.00 0.00 -1.33 0.00 0.00 58.87 56.72 1vre n SER 48 Cb 0.65 1.09 0.00 0.00 -0.75 0.00 0.00 64.21 65.19 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 1.40 0.76 1.96 0.46 0.00 -1.26 -4.99 105.19 103.52 1vre n GLY 49 Ca 0.02 -0.71 -0.19 0.00 0.00 0.00 0.00 46.02 45.14 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 -3.00 4.95 -1.83 4.61 0.00 -1.26 -4.12 120.51 119.86 1vre n ALA 50 Ca 0.00 -2.27 0.05 0.00 0.00 0.00 0.00 53.44 51.22 1vre n ALA 50 Cb 0.00 -1.36 0.13 0.00 0.00 0.00 0.00 19.45 18.22 1vre n ALA 50 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1vre n SER 51 N -0.77 1.44 -4.45 0.00 2.88 -1.26 -4.95 113.62 106.51 1vre n SER 51 Ca 0.47 -3.06 -0.32 0.00 -1.33 0.00 0.00 58.87 54.63 1vre n SER 51 Cb 1.39 -0.42 -0.13 0.00 -0.75 0.00 0.00 64.21 64.30 1vre n SER 51 CO 0.00 0.00 0.00 1.51 -1.23 0.00 0.00 175.04 175.32 1vre s ASP 52 N -2.63 3.82 0.47 -3.46 -4.77 -1.26 -4.99 116.67 103.86 1vre s ASP 52 Ca 0.33 -0.32 0.32 0.00 -3.30 0.00 0.00 52.55 49.57 1vre s ASP 52 Cb 0.33 -0.69 1.48 0.00 -1.09 0.00 0.00 42.92 42.95 1vre s ASP 52 CO -0.08 0.31 1.95 1.55 0.70 0.00 0.00 175.17 179.60 1vre h PRO 53 N 5.02 0.00 -1.00 2.11 0.13 -1.96 -2.82 132.00 133.48 1vre h PRO 53 Ca -0.46 0.00 0.15 0.00 -0.87 0.00 0.00 66.00 64.81 1vre h PRO 53 Cb 1.15 0.00 -0.09 0.00 0.13 0.00 0.00 31.00 32.19 1vre h PRO 53 CO 0.49 0.00 0.62 0.78 -0.23 0.00 0.00 178.00 179.66 1vre h GLY 54 N 1.31 1.68 0.76 1.56 0.00 -1.94 0.24 103.07 106.67 1vre h GLY 54 Ca 0.00 -0.40 0.13 0.00 0.00 0.00 0.00 47.33 47.06 1vre h GLY 54 CO 0.00 0.08 0.50 -2.08 0.00 0.00 0.00 176.54 175.03 1vre h VAL 55 N 0.90 0.84 0.00 4.60 2.07 -1.86 0.26 116.25 123.06 1vre h VAL 55 Ca 0.53 -0.17 -0.11 0.00 0.82 0.00 0.00 66.70 67.77 1vre h VAL 55 Cb 0.65 0.30 -0.02 0.00 -1.52 0.00 0.00 31.29 30.71 1vre h VAL 55 CO -0.30 0.09 -0.51 0.00 0.02 0.00 0.00 177.57 176.87 1vre h ALA 56 N 1.64 0.95 -0.00 1.67 0.00 -0.74 -1.38 119.26 121.40 1vre h ALA 56 Ca 0.36 -0.47 -0.18 0.00 0.00 0.00 0.00 54.91 54.62 1vre h ALA 56 Cb 0.71 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.40 1vre h ALA 56 CO -0.12 0.64 -0.82 -0.44 0.00 0.00 0.00 179.25 178.50 1vre h ASP 57 N 0.00 0.18 0.00 0.00 5.19 -0.20 -2.38 116.42 119.21 1vre h ASP 57 Ca -0.01 -0.14 0.00 0.00 -0.62 0.00 0.00 57.03 56.26 1vre h ASP 57 Cb 1.04 -0.06 0.00 0.00 0.18 0.00 0.00 39.33 40.49 1vre h ASP 57 CO 0.07 0.93 -0.07 -0.07 -3.12 0.00 0.00 179.24 176.97 1vre h LEU 58 N 0.08 0.00 -0.44 1.55 3.38 -1.10 -3.08 115.31 115.71 1vre h LEU 58 Ca -0.03 0.00 0.09 0.00 0.09 0.00 0.00 57.88 58.03 1vre h LEU 58 Cb 1.43 0.00 -0.09 0.00 0.09 0.00 0.00 40.66 42.09 1vre h LEU 58 CO 0.12 0.41 -0.19 1.23 0.09 0.00 0.00 178.44 180.10 1vre h GLY 59 N -0.75 0.14 0.25 0.83 0.00 -1.40 0.84 103.07 102.98 1vre h GLY 59 Ca 0.00 0.25 0.19 0.00 0.00 0.00 0.00 47.33 47.77 1vre h GLY 59 CO 0.00 -0.20 0.61 0.00 0.00 0.00 0.00 176.54 176.95 1vre h ALA 60 N 1.22 1.96 0.00 3.60 0.00 -1.59 0.70 119.26 125.15 1vre h ALA 60 Ca 0.21 0.04 -0.17 0.00 0.00 0.00 0.00 54.91 54.99 1vre h ALA 60 Cb 0.43 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.13 1vre h ALA 60 CO -0.51 -0.27 -0.87 0.87 0.00 0.00 0.00 179.25 178.47 1vre h LYS 61 N 0.59 0.00 0.00 0.00 1.57 -0.27 -3.26 116.57 115.20 1vre h LYS 61 Ca 0.51 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 59.28 1vre h LYS 61 Cb 1.02 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.33 1vre h LYS 61 CO -0.26 0.72 -0.05 0.28 -0.57 0.00 0.00 179.45 179.58 1vre h VAL 62 N 0.00 1.70 -0.58 0.50 2.07 0.40 -3.29 116.25 117.05 1vre h VAL 62 Ca -0.03 -2.11 0.11 0.00 0.82 0.00 0.00 66.70 65.49 1vre h VAL 62 Cb 1.62 3.12 -0.11 0.00 -1.52 0.00 0.00 31.29 34.40 1vre h VAL 62 CO 0.10 0.55 -0.21 -0.07 0.02 0.00 0.00 177.57 177.96 1vre h LEU 63 N -0.85 -0.73 -0.76 2.57 -0.00 0.09 0.62 115.31 116.25 1vre h LEU 63 Ca -0.01 0.19 0.18 0.00 -0.00 0.00 0.00 57.88 58.24 1vre h LEU 63 Cb 0.93 0.43 -0.13 0.00 -0.00 0.00 0.00 40.66 41.89 1vre h LEU 63 CO 0.01 -0.24 0.05 0.00 -0.00 0.00 0.00 178.44 178.26 1vre h ALA 64 N 1.40 0.85 -0.12 1.53 0.00 -1.65 0.38 119.26 121.64 1vre h ALA 64 Ca 0.27 0.23 0.05 0.00 0.00 0.00 0.00 54.91 55.45 1vre h ALA 64 Cb 0.48 0.38 -0.06 0.00 0.00 0.00 0.00 17.79 18.60 1vre h ALA 64 CO -0.63 -0.42 -0.25 0.37 0.00 0.00 0.00 179.25 178.32 1vre h GLN 65 N 0.13 -0.31 -0.70 0.00 5.75 -0.95 0.19 115.11 119.23 1vre h GLN 65 Ca 0.42 0.02 0.12 0.00 -0.15 0.00 0.00 58.65 59.06 1vre h GLN 65 Cb 0.76 0.07 -0.05 0.00 1.07 0.00 0.00 27.48 29.33 1vre h GLN 65 CO -0.64 -0.21 0.46 0.82 -2.65 0.00 0.00 178.83 176.61 1vre h ILE 66 N -0.32 0.86 0.32 2.39 2.04 -0.78 0.27 117.51 122.29 1vre h ILE 66 Ca 0.10 -0.16 -0.02 0.00 1.00 0.00 0.00 64.86 65.78 1vre h ILE 66 Cb 0.47 0.35 0.00 0.00 -0.74 0.00 0.00 36.82 36.91 1vre h ILE 66 CO -0.31 0.09 -0.15 1.23 0.00 0.00 0.00 178.15 179.00 1vre h GLY 67 N 0.47 -0.45 2.00 5.37 0.00 0.63 0.62 103.07 111.71 1vre h GLY 67 Ca 0.33 0.17 -0.01 0.00 0.00 0.00 0.00 47.33 47.82 1vre h GLY 67 CO -0.11 -0.16 -0.02 -2.08 0.00 0.00 0.00 176.54 174.17 1vre h VAL 68 N -0.66 0.51 0.00 4.60 2.07 -0.16 -0.97 116.25 121.64 1vre h VAL 68 Ca -0.04 -0.11 -0.20 0.00 0.82 0.00 0.00 66.70 67.17 1vre h VAL 68 Cb 0.46 1.07 -0.03 0.00 -1.52 0.00 0.00 31.29 31.27 1vre h VAL 68 CO 0.07 0.02 -1.22 0.00 0.02 0.00 0.00 177.57 176.46 1vre h ALA 69 N 1.98 0.61 0.00 1.67 0.00 -0.45 -3.25 119.26 119.82 1vre h ALA 69 Ca -0.00 -0.97 0.00 0.00 0.00 0.00 0.00 54.91 53.94 1vre h ALA 69 Cb 0.07 0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.02 1vre h ALA 69 CO 0.00 1.14 0.00 0.28 0.00 0.00 0.00 179.25 180.68 1vre n VAL 70 N -3.11 1.16 -0.37 0.00 0.31 0.21 -2.46 118.33 114.07 1vre n VAL 70 Ca -0.07 0.29 -0.15 0.00 -0.01 0.00 0.00 64.34 64.40 1vre n VAL 70 Cb 0.91 -1.09 0.11 0.00 -0.91 0.00 0.00 33.84 32.86 1vre n VAL 70 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 1vre n SER 71 N -1.49 3.46 0.00 4.52 2.88 -1.18 -4.64 113.62 117.18 1vre n SER 71 Ca 0.03 -2.98 0.00 0.00 -1.33 0.00 0.00 58.87 54.59 1vre n SER 71 Cb 0.14 -0.71 0.00 0.00 -0.75 0.00 0.00 64.21 62.89 1vre n SER 71 CO 0.00 0.00 0.00 1.41 -1.23 0.00 0.00 175.04 175.22 1vre n HIS 72 N -0.50 0.00 0.00 0.66 8.25 -1.03 -5.02 115.22 117.58 1vre n HIS 72 Ca 0.37 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.83 1vre n HIS 72 Cb 1.22 0.00 0.00 0.00 1.12 0.00 0.00 29.99 32.33 1vre n HIS 72 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 1vre n LEU 73 N 0.00 0.00 -0.36 2.41 4.77 -1.24 -3.85 117.00 118.74 1vre n LEU 73 Ca 0.00 0.00 0.05 0.00 -0.03 0.00 0.00 56.01 56.03 1vre n LEU 73 Cb 0.00 0.00 0.22 0.00 -2.33 0.00 0.00 43.42 41.31 1vre n LEU 73 CO 0.00 0.00 1.25 1.23 -1.33 0.00 0.00 177.39 178.54 1vre h GLY 74 N 0.00 1.54 -7.36 -0.72 0.00 -1.95 -3.30 103.07 91.27 1vre h GLY 74 Ca 0.00 -0.44 -0.73 0.00 0.00 0.00 0.00 47.33 46.16 1vre h GLY 74 CO 0.00 0.25 0.18 0.51 0.00 0.00 0.00 176.54 177.49 1vre s ASP 75 N -5.83 6.40 -0.30 0.19 -4.77 -1.25 -4.88 116.67 106.23 1vre s ASP 75 Ca -0.12 -1.89 0.02 0.00 -3.30 0.00 0.00 52.55 47.26 1vre s ASP 75 Cb 0.21 -2.28 0.41 0.00 -1.09 0.00 0.00 42.92 40.16 1vre s ASP 75 CO 0.81 -0.94 1.63 -0.62 0.70 0.00 0.00 175.17 176.75 1vre n GLU 76 N 5.64 1.82 -0.01 2.11 1.02 -1.25 -3.76 120.64 126.21 1vre n GLU 76 Ca 0.01 -1.92 0.09 0.00 -0.02 0.00 0.00 57.16 55.32 1vre n GLU 76 Cb 0.44 -1.75 -0.15 0.00 -0.02 0.00 0.00 31.44 29.96 1vre n GLU 76 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1vre n GLY 77 N -0.48 -0.90 0.77 0.62 0.00 -1.26 -4.52 105.19 99.43 1vre n GLY 77 Ca 0.38 -0.46 0.00 0.00 0.00 0.00 0.00 46.02 45.95 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 -2.21 0.00 -0.33 1.61 4.81 -1.26 -4.54 118.16 116.24 1vre n LYS 78 Ca -0.05 0.00 0.24 0.00 -0.87 0.00 0.00 58.31 57.62 1vre n LYS 78 Cb 0.55 -0.55 0.52 0.00 0.02 0.00 0.00 35.03 35.57 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 -1.86 1.34 114.93 120.46 1vre h MET 79 Ca 0.00 -0.02 -0.01 0.00 -0.28 0.00 0.00 59.70 59.39 1vre h MET 79 Cb 0.69 -0.08 -0.00 0.00 -0.80 0.00 0.00 31.60 31.41 1vre h MET 79 CO 0.00 0.24 -0.05 0.28 0.23 0.00 0.00 176.91 177.61 1vre h VAL 80 N 0.37 0.10 0.08 -5.77 2.07 -1.83 -3.10 116.25 108.17 1vre h VAL 80 Ca 0.61 -1.01 0.01 0.00 0.82 0.00 0.00 66.70 67.14 1vre h VAL 80 Cb 1.58 1.92 -0.02 0.00 -1.52 0.00 0.00 31.29 33.25 1vre h VAL 80 CO -0.30 0.05 -0.15 0.00 0.02 0.00 0.00 177.57 177.19 1vre h ALA 81 N 1.95 -0.24 0.03 1.67 0.00 0.15 1.13 119.26 123.96 1vre h ALA 81 Ca -0.00 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 1vre h ALA 81 Cb 0.92 0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.94 1vre h ALA 81 CO 0.01 -0.66 -0.02 0.93 0.00 0.00 0.00 179.25 179.51 1vre h GLU 82 N -0.29 -0.04 0.36 0.00 3.07 -1.60 -2.07 114.58 114.01 1vre h GLU 82 Ca 0.02 0.00 -0.00 0.00 -0.50 0.00 0.00 59.36 58.88 1vre h GLU 82 Cb 0.30 0.01 -0.02 0.00 -0.84 0.00 0.00 28.75 28.20 1vre h GLU 82 CO -0.08 0.43 -0.35 0.52 -1.40 0.00 0.00 179.01 178.13 1vre h MET 83 N -0.53 -0.70 -0.29 2.33 2.86 -1.45 0.13 114.93 117.28 1vre h MET 83 Ca -0.00 0.05 0.08 0.00 -2.06 0.00 0.00 59.70 57.77 1vre h MET 83 Cb 0.49 0.16 -0.01 0.00 0.06 0.00 0.00 31.60 32.30 1vre h MET 83 CO 0.01 -0.47 0.39 -0.22 1.06 0.00 0.00 176.91 177.68 1vre h LYS 84 N -0.73 0.00 0.07 1.72 3.11 0.14 0.37 116.57 121.26 1vre h LYS 84 Ca -0.02 0.00 -0.18 0.00 -2.81 0.00 0.00 60.65 57.64 1vre h LYS 84 Cb 0.65 0.00 0.02 0.00 -1.00 0.00 0.00 32.23 31.90 1vre h LYS 84 CO -0.06 0.00 -0.74 0.00 -2.81 0.00 0.00 179.45 175.84 1vre h ALA 85 N 1.50 -0.01 -0.86 5.00 0.00 -0.10 -2.66 119.26 122.13 1vre h ALA 85 Ca 0.14 -0.64 0.17 0.00 0.00 0.00 0.00 54.91 54.58 1vre h ALA 85 Cb 0.91 0.07 -0.06 0.00 0.00 0.00 0.00 17.79 18.70 1vre h ALA 85 CO -0.00 0.38 0.56 0.28 0.00 0.00 0.00 179.25 180.47 1vre h VAL 86 N -0.21 0.75 -0.16 0.00 2.07 0.12 0.73 116.25 119.56 1vre h VAL 86 Ca -0.11 -0.17 -0.00 0.00 0.82 0.00 0.00 66.70 67.24 1vre h VAL 86 Cb 1.51 0.23 -0.01 0.00 -1.52 0.00 0.00 31.29 31.49 1vre h VAL 86 CO 0.14 0.09 0.10 1.23 0.02 0.00 0.00 177.57 179.15 1vre h GLY 87 N 0.48 0.23 1.76 2.17 0.00 -1.52 0.75 103.07 106.95 1vre h GLY 87 Ca 0.44 -0.09 0.00 0.00 0.00 0.00 0.00 47.33 47.67 1vre h GLY 87 CO -0.17 0.09 0.11 -2.08 0.00 0.00 0.00 176.54 174.49 1vre h VAL 88 N 0.19 0.00 0.07 4.60 2.07 -0.45 -1.50 116.25 121.23 1vre h VAL 88 Ca 0.06 0.00 -0.24 0.00 0.82 0.00 0.00 66.70 67.34 1vre h VAL 88 Cb 0.01 0.78 -0.01 0.00 -1.52 0.00 0.00 31.29 30.55 1vre h VAL 88 CO -0.01 0.00 -1.24 0.03 0.02 0.00 0.00 177.57 176.37 1vre h ARG 89 N 0.00 0.14 -0.85 1.57 -0.00 -0.47 -3.35 114.38 111.42 1vre h ARG 89 Ca 0.00 -0.24 0.09 0.00 -0.50 0.00 0.00 59.98 59.33 1vre h ARG 89 Cb 0.22 0.09 -0.06 0.00 0.00 0.00 0.00 29.97 30.22 1vre h ARG 89 CO 0.00 1.12 0.55 0.45 0.00 0.00 0.00 179.97 182.09 1vre h HIS 90 N -0.57 0.89 0.00 3.04 3.86 -0.10 0.22 115.15 122.49 1vre h HIS 90 Ca -0.29 0.02 0.00 0.00 -1.16 0.00 0.00 60.37 58.94 1vre h HIS 90 Cb 1.55 -0.29 0.00 0.00 1.06 0.00 0.00 27.41 29.73 1vre h HIS 90 CO 0.13 0.43 0.00 1.57 0.86 0.00 0.00 177.93 180.92 1vre h LYS 91 N 0.84 0.00 -0.81 2.45 5.09 -1.51 -2.00 116.57 120.63 1vre h LYS 91 Ca 0.39 0.00 -0.55 0.00 0.09 0.00 0.00 60.65 60.57 1vre h LYS 91 Cb 0.38 0.00 -0.43 0.00 0.10 0.00 0.00 32.23 32.28 1vre h LYS 91 CO -0.15 0.00 -0.81 0.41 -2.09 0.00 0.00 179.45 176.81 1vre n GLY 92 N -1.10 6.38 0.85 0.07 0.00 0.76 -4.84 105.19 107.31 1vre n GLY 92 Ca -0.02 -2.68 -0.05 0.00 0.00 0.00 0.00 46.02 43.27 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 -0.69 -3.40 0.06 1.61 4.02 -0.75 -5.00 117.16 113.00 1vre n TYR 93 Ca 0.44 -0.36 -0.05 0.00 -0.01 0.00 0.00 57.90 57.91 1vre n TYR 93 Cb 0.95 -0.17 -0.09 0.00 -0.02 0.00 0.00 39.34 40.00 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 -0.17 0.00 0.26 2.72 0.00 -1.92 -3.34 103.07 100.62 1vre h GLY 94 Ca -0.08 0.00 -0.07 0.00 0.00 0.00 0.00 47.33 47.18 1vre h GLY 94 CO 0.08 0.00 -0.31 -0.57 0.00 0.00 0.00 176.54 175.74 1vre h ASN 95 N 0.00 0.18 0.00 0.19 -1.24 -1.91 -3.47 115.58 109.33 1vre h ASN 95 Ca -0.08 -0.98 0.00 0.00 0.71 0.00 0.00 56.30 55.95 1vre h ASN 95 Cb 1.73 -0.06 0.00 0.00 0.73 0.00 0.00 38.32 40.72 1vre h ASN 95 CO 0.10 1.15 0.00 1.17 -1.29 0.00 0.00 177.43 178.56 1vre n LYS 96 N -4.43 0.00 -0.52 6.67 4.81 -1.26 -4.78 118.16 118.66 1vre n LYS 96 Ca -0.11 0.00 -0.15 0.00 -0.87 0.00 0.00 58.31 57.17 1vre n LYS 96 Cb 0.61 -0.02 -0.02 0.00 0.02 0.00 0.00 35.03 35.63 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 0.00 0.92 -3.09 5.64 8.25 -1.26 -4.87 115.22 120.81 1vre n HIS 97 Ca 0.00 -1.49 -0.28 0.00 -0.26 0.00 0.00 57.72 55.69 1vre n HIS 97 Cb 0.00 -1.34 -0.02 0.00 1.12 0.00 0.00 29.99 29.75 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 3.77 4.97 -0.00 1.59 1.01 -1.26 -5.03 121.20 126.25 1vre s ILE 98 Ca 0.28 0.09 0.01 0.00 0.00 0.00 0.00 60.65 61.03 1vre s ILE 98 Cb 0.08 -3.79 0.00 0.00 0.01 0.00 0.00 42.46 38.76 1vre s ILE 98 CO -0.02 -0.53 -0.02 -0.54 0.00 0.00 0.00 174.94 173.83 1vre s LYS 99 N -4.03 0.22 0.00 2.79 3.01 -1.26 -4.97 119.74 115.50 1vre s LYS 99 Ca 0.45 -0.08 0.30 0.00 -1.01 0.00 0.00 55.97 55.64 1vre s LYS 99 Cb -0.10 -0.24 1.57 0.00 -1.01 0.00 0.00 37.83 38.05 1vre s LYS 99 CO 0.35 0.04 2.06 0.00 0.51 0.00 0.00 175.35 178.31 1vre n ALA 100 N 3.13 2.60 0.17 5.17 0.00 -1.26 -3.22 120.51 127.10 1vre n ALA 100 Ca -0.14 -0.19 0.08 0.00 0.00 0.00 0.00 53.44 53.18 1vre n ALA 100 Cb 0.58 -1.46 0.09 0.00 0.00 0.00 0.00 19.45 18.66 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 0.17 0.00 0.00 0.00 4.39 -2.01 -3.17 114.58 113.96 1vre h GLU 101 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1vre h GLU 101 Cb 0.22 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.87 1vre h GLU 101 CO 0.00 0.21 0.00 1.88 -1.16 0.00 0.00 179.01 179.94 1vre h TYR 102 N 0.00 0.00 0.74 4.33 -1.99 -1.99 -3.35 116.97 114.71 1vre h TYR 102 Ca -0.01 0.00 -0.04 0.00 2.00 0.00 0.00 58.73 60.68 1vre h TYR 102 Cb 1.18 0.00 0.01 0.00 2.00 0.00 0.00 36.73 39.92 1vre h TYR 102 CO 0.00 0.00 -0.35 0.74 -0.00 0.00 0.00 178.16 178.55 1vre h PHE 103 N 0.00 -0.92 -0.54 4.88 -1.00 -1.72 0.63 116.94 118.27 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 0.75 0.30 -0.09 0.00 3.61 0.00 0.00 35.95 40.52 1vre h PHE 103 CO 0.00 -0.57 -0.52 1.49 -1.61 0.00 0.00 178.31 177.10 1vre h GLU 104 N -1.11 -0.28 -0.48 1.51 4.81 -1.75 0.83 114.58 118.10 1vre h GLU 104 Ca -0.10 0.02 0.04 0.00 -0.13 0.00 0.00 59.36 59.19 1vre h GLU 104 Cb 0.76 0.06 -0.04 0.00 0.63 0.00 0.00 28.75 30.16 1vre h GLU 104 CO 0.17 -0.19 0.25 -1.00 -0.73 0.00 0.00 179.01 177.50 1vre h PRO 105 N -0.29 0.47 0.00 0.92 0.13 -1.71 0.37 132.00 131.89 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 0.56 -0.11 -0.00 0.00 0.13 0.00 0.00 31.00 31.59 1vre h PRO 105 CO -0.67 0.31 -0.00 1.25 -0.23 0.00 0.00 178.00 178.66 1vre h LEU 106 N 0.48 0.00 0.02 1.56 7.12 0.92 -0.68 115.31 124.73 1vre h LEU 106 Ca 0.21 0.00 -0.17 0.00 0.13 0.00 0.00 57.88 58.05 1vre h LEU 106 Cb 0.12 0.00 -0.02 0.00 -0.53 0.00 0.00 40.66 40.23 1vre h LEU 106 CO -0.15 0.00 -0.90 1.23 -0.13 0.00 0.00 178.44 178.50 1vre h GLY 107 N 1.18 0.04 0.95 3.75 0.00 0.31 -3.10 103.07 106.20 1vre h GLY 107 Ca -0.00 -0.11 -0.02 0.00 0.00 0.00 0.00 47.33 47.21 1vre h GLY 107 CO 0.00 0.09 0.18 0.00 0.00 0.00 0.00 176.54 176.81 1vre h ALA 108 N -0.27 0.49 0.00 3.60 0.00 -0.25 -1.87 119.26 120.96 1vre h ALA 108 Ca -0.24 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 54.55 1vre h ALA 108 Cb 1.28 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.92 1vre h ALA 108 CO -0.11 0.06 -0.07 0.77 0.00 0.00 0.00 179.25 179.91 1vre h SER 109 N 0.48 0.00 -0.55 0.00 0.02 -1.29 -1.86 113.55 110.35 1vre h SER 109 Ca 0.13 0.00 -0.12 0.00 -0.84 0.00 0.00 61.79 60.96 1vre h SER 109 Cb 0.13 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.65 1vre h SER 109 CO -0.02 0.07 -0.11 0.25 -1.14 0.00 0.00 176.83 175.88 1vre h LEU 110 N 0.00 1.05 -1.37 5.07 6.46 -1.27 -2.58 115.31 122.67 1vre h LEU 110 Ca -0.00 -0.35 0.14 0.00 -0.12 0.00 0.00 57.88 57.55 1vre h LEU 110 Cb 0.13 -0.29 -0.06 0.00 -0.73 0.00 0.00 40.66 39.71 1vre h LEU 110 CO 0.01 1.16 0.55 -0.07 -0.62 0.00 0.00 178.44 179.47 1vre h LEU 111 N 0.93 0.58 -1.25 2.25 3.38 -1.00 0.39 115.31 120.59 1vre h LEU 111 Ca 0.14 0.03 -0.08 0.00 0.09 0.00 0.00 57.88 58.07 1vre h LEU 111 Cb 0.68 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.34 1vre h LEU 111 CO 0.05 0.30 -0.33 -1.28 0.09 0.00 0.00 178.44 177.26 1vre h SER 112 N 0.61 0.08 0.34 -0.43 0.87 -1.46 -2.94 113.55 110.62 1vre h SER 112 Ca 0.42 -0.02 -0.33 0.00 -1.23 0.00 0.00 61.79 60.63 1vre h SER 112 Cb 0.75 -0.02 0.03 0.00 -0.44 0.00 0.00 62.40 62.72 1vre h SER 112 CO -0.18 0.41 -1.43 0.00 -0.53 0.00 0.00 176.83 175.10 1vre h ALA 113 N 1.60 -0.11 -0.88 6.23 0.00 -0.25 -3.29 119.26 122.55 1vre h ALA 113 Ca 0.01 -0.86 0.21 0.00 0.00 0.00 0.00 54.91 54.26 1vre h ALA 113 Cb 0.62 0.14 -0.12 0.00 0.00 0.00 0.00 17.79 18.43 1vre h ALA 113 CO 0.05 0.75 0.38 0.52 0.00 0.00 0.00 179.25 180.94 1vre h MET 114 N 0.14 0.40 -0.41 0.00 2.07 -0.67 0.89 114.93 117.35 1vre h MET 114 Ca -0.23 -0.02 0.12 0.00 -2.07 0.00 0.00 59.70 57.49 1vre h MET 114 Cb 2.13 -0.09 -0.02 0.00 -1.87 0.00 0.00 31.60 31.76 1vre h MET 114 CO 0.26 0.26 0.56 1.49 1.07 0.00 0.00 176.91 180.55 1vre h GLU 115 N 0.41 0.00 -0.21 1.72 4.81 -1.62 -1.05 114.58 118.64 1vre h GLU 115 Ca 0.54 0.00 0.06 0.00 -0.13 0.00 0.00 59.36 59.83 1vre h GLU 115 Cb 1.00 0.00 -0.07 0.00 0.63 0.00 0.00 28.75 30.31 1vre h GLU 115 CO -0.51 0.00 -0.23 0.45 -0.73 0.00 0.00 179.01 177.98 1vre h HIS 116 N 0.00 -0.62 0.34 0.92 3.86 0.64 1.50 115.15 121.79 1vre h HIS 116 Ca 0.19 0.04 -0.02 0.00 -1.16 0.00 0.00 60.37 59.42 1vre h HIS 116 Cb 1.30 0.30 0.00 0.00 1.06 0.00 0.00 27.41 30.08 1vre h HIS 116 CO 0.00 -0.31 -0.16 -0.09 0.86 0.00 0.00 177.93 178.23 1vre h ARG 117 N -0.25 -0.44 -2.30 2.45 2.43 -1.35 -3.34 114.38 111.58 1vre h ARG 117 Ca 0.13 0.03 -0.78 0.00 -0.81 0.00 0.00 59.98 58.54 1vre h ARG 117 Cb 0.45 0.10 -0.29 0.00 -0.42 0.00 0.00 29.97 29.81 1vre h ARG 117 CO -0.36 -0.21 0.81 0.44 -1.51 0.00 0.00 179.97 179.14 1vre n ILE 118 N -5.08 5.68 0.46 1.20 -5.35 -1.14 -4.73 119.36 110.40 1vre n ILE 118 Ca -0.07 -5.93 0.08 0.00 -0.27 0.00 0.00 62.75 56.56 1vre n ILE 118 Cb 0.22 -1.57 0.34 0.00 -1.74 0.00 0.00 39.64 36.88 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 0.02 -1.04 0.07 3.28 0.00 0.51 -0.04 105.19 108.00 1vre n GLY 119 Ca 0.43 -0.02 -0.07 0.00 0.00 0.00 0.00 46.02 46.37 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 -0.06 -0.71 0.08 -0.02 0.00 -1.26 -4.53 105.19 98.69 1vre n GLY 120 Ca 0.03 -0.24 0.02 0.00 0.00 0.00 0.00 46.02 45.83 1vre n GLY 120 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1vre n LYS 121 N -2.54 0.63 -1.74 1.61 5.02 -1.11 -4.67 118.16 115.36 1vre n LYS 121 Ca -0.24 0.11 -0.21 0.00 -2.02 0.00 0.00 58.31 55.95 1vre n LYS 121 Cb 0.97 -1.73 -0.09 0.00 -0.02 0.00 0.00 35.03 34.16 1vre n LYS 121 CO 0.00 0.00 0.00 -0.12 -0.52 0.00 0.00 177.40 176.76 1vre n MET 122 N -2.74 0.73 -0.03 1.97 1.56 0.94 -4.84 117.12 114.71 1vre n MET 122 Ca -0.10 -2.01 0.00 0.00 -0.27 0.00 0.00 57.70 55.32 1vre n MET 122 Cb 0.79 -3.81 0.00 0.00 2.15 0.00 0.00 33.22 32.35 1vre n MET 122 CO 0.00 0.00 0.00 0.27 -0.73 0.00 0.00 175.97 175.51 1vre n ASN 123 N 17.27 0.00 -0.06 6.12 0.23 -1.26 -4.80 115.26 132.77 1vre n ASN 123 Ca 0.43 -0.45 -0.12 0.00 -0.53 0.00 0.00 54.58 53.91 1vre n ASN 123 Cb 0.47 0.00 0.01 0.00 -2.08 0.00 0.00 39.78 38.17 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 -1.87 0.60 -0.29 -2.53 0.00 -1.99 -2.75 119.26 110.43 1vre h ALA 124 Ca 0.00 -0.49 -0.03 0.00 0.00 0.00 0.00 54.91 54.38 1vre h ALA 124 Cb 0.00 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 1vre h ALA 124 CO 0.00 0.68 0.04 0.00 0.00 0.00 0.00 179.25 179.97 1vre h ALA 125 N 0.83 1.54 0.15 0.00 0.00 -1.95 0.65 119.26 120.48 1vre h ALA 125 Ca 0.03 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.79 1vre h ALA 125 Cb 1.07 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.74 1vre h ALA 125 CO 0.11 0.34 -0.07 0.00 0.00 0.00 0.00 179.25 179.63 1vre h ALA 126 N 1.64 -0.20 0.00 0.00 0.00 -1.83 1.05 119.26 119.91 1vre h ALA 126 Ca 0.10 -0.18 -0.11 0.00 0.00 0.00 0.00 54.91 54.71 1vre h ALA 126 Cb 0.21 0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.07 1vre h ALA 126 CO 0.00 -0.43 -0.52 1.57 0.00 0.00 0.00 179.25 179.87 1vre h LYS 127 N -0.56 0.00 0.05 0.00 2.10 -1.26 -1.45 116.57 115.45 1vre h LYS 127 Ca -0.02 0.00 -0.24 0.00 -2.00 0.00 0.00 60.65 58.39 1vre h LYS 127 Cb 0.43 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.75 1vre h LYS 127 CO 0.03 0.52 -1.09 0.22 -2.00 0.00 0.00 179.45 177.13 1vre h ASP 128 N 0.00 0.19 -0.12 7.07 3.58 0.41 -1.24 116.42 126.31 1vre h ASP 128 Ca -0.01 -0.20 -0.14 0.00 0.42 0.00 0.00 57.03 57.11 1vre h ASP 128 Cb 0.95 -0.06 0.01 0.00 1.72 0.00 0.00 39.33 41.95 1vre h ASP 128 CO 0.07 1.15 -0.49 0.00 -2.88 0.00 0.00 179.24 177.08 1vre h ALA 129 N 0.83 0.22 0.00 -0.78 0.00 0.13 -3.06 119.26 116.60 1vre h ALA 129 Ca -0.06 -0.50 -0.09 0.00 0.00 0.00 0.00 54.91 54.26 1vre h ALA 129 Cb 1.84 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 19.60 1vre h ALA 129 CO 0.16 0.39 -0.43 -1.49 0.00 0.00 0.00 179.25 177.88 1vre h TRP 130 N 0.15 0.00 0.00 0.00 4.06 -1.35 -1.33 115.95 117.48 1vre h TRP 130 Ca -0.03 0.00 -0.02 0.00 2.06 0.00 0.00 58.89 60.90 1vre h TRP 130 Cb 1.12 0.00 -0.00 0.00 -1.00 0.00 0.00 29.16 29.28 1vre h TRP 130 CO 0.11 0.43 -0.09 0.00 -3.56 0.00 0.00 178.44 175.33 1vre h ALA 131 N 1.57 1.55 0.06 1.49 0.00 -1.14 0.85 119.26 123.64 1vre h ALA 131 Ca -0.00 -0.08 -0.37 0.00 0.00 0.00 0.00 54.91 54.46 1vre h ALA 131 Cb 1.07 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.81 1vre h ALA 131 CO 0.06 0.11 -2.17 0.00 0.00 0.00 0.00 179.25 177.24 1vre n ALA 132 N -2.38 1.11 0.12 0.00 0.00 -1.03 -3.58 120.51 114.74 1vre n ALA 132 Ca -0.02 -0.81 -0.07 0.00 0.00 0.00 0.00 53.44 52.53 1vre n ALA 132 Cb 0.17 -0.41 -0.04 0.00 0.00 0.00 0.00 19.45 19.17 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 -0.03 -0.39 -0.74 0.00 0.00 -0.99 -2.12 119.26 114.99 1vre h ALA 133 Ca -0.49 -0.12 0.21 0.00 0.00 0.00 0.00 54.91 54.51 1vre h ALA 133 Cb 1.93 0.15 -0.03 0.00 0.00 0.00 0.00 17.79 19.84 1vre h ALA 133 CO -0.02 -0.38 0.62 -0.92 0.00 0.00 0.00 179.25 178.55 1vre h TYR 134 N -1.07 0.00 -0.16 0.00 5.03 0.50 0.92 116.97 122.18 1vre h TYR 134 Ca -0.04 0.00 -0.19 0.00 2.58 0.00 0.00 58.73 61.08 1vre h TYR 134 Cb 0.37 0.00 0.01 0.00 1.55 0.00 0.00 36.73 38.66 1vre h TYR 134 CO 0.02 0.00 -0.64 0.00 -1.32 0.00 0.00 178.16 176.22 1vre h ALA 135 N 1.46 0.29 0.00 1.82 0.00 -1.58 -1.97 119.26 119.27 1vre h ALA 135 Ca 0.35 -0.55 -0.16 0.00 0.00 0.00 0.00 54.91 54.55 1vre h ALA 135 Cb 1.58 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 19.33 1vre h ALA 135 CO -0.00 0.57 -0.76 -0.44 0.00 0.00 0.00 179.25 178.62 1vre h ASP 136 N 0.41 0.00 0.58 0.00 3.32 0.80 -0.90 116.42 120.63 1vre h ASP 136 Ca -0.03 0.00 -0.03 0.00 0.02 0.00 0.00 57.03 56.99 1vre h ASP 136 Cb 1.27 0.00 0.01 0.00 0.22 0.00 0.00 39.33 40.82 1vre h ASP 136 CO 0.13 0.76 -0.28 0.40 -1.72 0.00 0.00 179.24 178.53 1vre h ILE 137 N 0.00 0.00 0.00 0.35 2.04 0.59 0.14 117.51 120.63 1vre h ILE 137 Ca -0.01 -0.27 -0.00 0.00 1.00 0.00 0.00 64.86 65.57 1vre h ILE 137 Cb 1.42 0.00 -0.00 0.00 -0.74 0.00 0.00 36.82 37.50 1vre h ILE 137 CO 0.10 0.00 -0.02 0.77 0.00 0.00 0.00 178.15 179.00 1vre h SER 138 N -1.05 0.00 1.21 1.72 4.64 -1.46 -1.99 113.55 116.63 1vre h SER 138 Ca -0.08 0.00 -0.15 0.00 -0.47 0.00 0.00 61.79 61.09 1vre h SER 138 Cb 0.59 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.66 1vre h SER 138 CO 0.13 0.02 -0.80 1.23 -0.87 0.00 0.00 176.83 176.53 1vre h GLY 139 N 1.25 0.00 2.00 -0.77 0.00 -1.02 -3.20 103.07 101.33 1vre h GLY 139 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1vre h GLY 139 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.54 176.54 1vre h ALA 140 N 1.30 1.00 0.00 3.60 0.00 0.05 -3.01 119.26 122.21 1vre h ALA 140 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1vre h ALA 140 Cb 1.56 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.35 1vre h ALA 140 CO 0.09 0.00 0.00 -0.11 0.00 0.00 0.00 179.25 179.23 1vre n LEU 141 N -2.99 0.00 -0.46 0.00 0.00 -1.14 -2.99 117.00 109.43 1vre n LEU 141 Ca 0.04 0.35 0.05 0.00 0.00 0.00 0.00 56.01 56.44 1vre n LEU 141 Cb 0.47 -0.35 0.16 0.00 0.00 0.00 0.00 43.42 43.71 1vre n LEU 141 CO 0.32 -0.01 0.63 -0.38 0.00 0.00 0.00 177.39 177.95 1vre n ILE 142 N -1.35 0.31 0.04 1.96 5.41 -1.14 -3.04 119.36 121.56 1vre n ILE 142 Ca 0.12 -0.32 -0.21 0.00 1.00 0.00 0.00 62.75 63.33 1vre n ILE 142 Cb 0.26 0.17 -0.14 0.00 -0.71 0.00 0.00 39.64 39.22 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 1.49 0.49 0.28 4.38 0.02 -1.76 -3.36 113.55 115.08 1vre h SER 143 Ca 0.00 -0.90 -0.04 0.00 -0.84 0.00 0.00 61.79 60.00 1vre h SER 143 Cb 0.34 -0.16 -0.01 0.00 0.14 0.00 0.00 62.40 62.71 1vre h SER 143 CO 0.00 1.56 -1.77 0.61 -1.14 0.00 0.00 176.83 176.10 1vre n GLY 144 N 1.72 -1.12 2.65 -3.77 0.00 -1.00 -4.95 105.19 98.72 1vre n GLY 144 Ca -0.20 -0.41 -0.17 0.00 0.00 0.00 0.00 46.02 45.24 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 -2.44 0.00 -3.73 0.99 7.94 -1.17 -2.31 117.00 116.28 1vre n LEU 145 Ca -0.06 -0.48 -0.25 0.00 -1.11 0.00 0.00 56.01 54.10 1vre n LEU 145 Cb 0.63 -0.71 0.01 0.00 0.53 0.00 0.00 43.42 43.88 1vre n LEU 145 CO 0.44 -2.39 -0.13 0.00 -1.11 0.00 0.00 177.39 174.20 1vre n GLN 146 N -2.40 -0.69 -0.45 1.96 0.00 -1.26 -4.72 117.38 109.82 1vre n GLN 146 Ca 0.08 0.09 0.00 0.00 0.00 0.00 0.00 57.00 57.17 1vre n GLN 146 Cb 0.33 -1.31 0.00 0.00 0.00 0.00 0.00 30.24 29.26 1vre n GLN 146 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.06 177.51