#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 2.78 0.00 0.99 1.43 -1.26 -5.05 118.68 117.57 1vre s LEU 2 Ca 0.00 0.21 0.00 0.00 -1.03 0.00 0.00 54.13 53.31 1vre s LEU 2 Cb 0.00 -2.51 0.00 0.00 0.03 0.00 0.00 46.19 43.71 1vre s LEU 2 CO 0.00 -2.20 0.00 -1.54 0.23 0.00 0.00 176.35 172.84 1vre n SER 3 N -3.32 1.53 0.13 2.29 3.41 -1.26 -4.93 113.62 111.47 1vre n SER 3 Ca 0.13 -0.76 0.13 0.00 -0.26 0.00 0.00 58.87 58.10 1vre n SER 3 Cb 0.60 0.00 0.33 0.00 -0.26 0.00 0.00 64.21 64.88 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 1.00 0.96 0.00 7.33 0.00 -1.99 -2.93 119.26 123.63 1vre h ALA 4 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 54.91 54.59 1vre h ALA 4 Cb 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 17.74 1vre h ALA 4 CO 0.00 0.00 -2.17 0.00 0.00 0.00 0.00 179.25 177.08 1vre n ALA 5 N -1.86 1.57 -0.09 0.00 0.00 -1.26 -4.20 120.51 114.66 1vre n ALA 5 Ca 0.05 -0.87 -0.11 0.00 0.00 0.00 0.00 53.44 52.52 1vre n ALA 5 Cb 0.45 0.08 -0.03 0.00 0.00 0.00 0.00 19.45 19.96 1vre n ALA 5 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 1vre h GLN 6 N -0.22 0.45 -0.70 0.00 4.20 -1.96 -1.00 115.11 115.88 1vre h GLN 6 Ca -0.48 -0.11 0.12 0.00 0.06 0.00 0.00 58.65 58.24 1vre h GLN 6 Cb 1.64 -0.06 -0.04 0.00 0.30 0.00 0.00 27.48 29.32 1vre h GLN 6 CO -0.15 0.54 0.46 -0.09 -0.67 0.00 0.00 178.83 178.93 1vre h ARG 7 N 0.27 0.44 -0.11 1.46 2.43 -1.76 -0.54 114.38 116.57 1vre h ARG 7 Ca 0.09 -0.03 -0.19 0.00 -0.81 0.00 0.00 59.98 59.03 1vre h ARG 7 Cb 0.30 -0.10 0.01 0.00 -0.42 0.00 0.00 29.97 29.77 1vre h ARG 7 CO 0.00 0.29 -0.69 0.37 -1.51 0.00 0.00 179.97 178.43 1vre h GLN 8 N 0.45 0.66 -0.25 0.20 5.75 -1.60 -3.03 115.11 117.29 1vre h GLN 8 Ca 0.33 -0.56 0.07 0.00 -0.15 0.00 0.00 58.65 58.34 1vre h GLN 8 Cb 0.68 0.13 -0.01 0.00 1.07 0.00 0.00 27.48 29.34 1vre h GLN 8 CO -0.10 1.18 0.19 0.28 -2.65 0.00 0.00 178.83 177.72 1vre h VAL 9 N 0.32 0.86 0.15 2.39 2.07 0.21 -1.51 116.25 120.74 1vre h VAL 9 Ca -0.06 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.46 1vre h VAL 9 Cb 1.34 0.87 0.00 0.00 -1.52 0.00 0.00 31.29 31.98 1vre h VAL 9 CO 0.14 0.00 -0.07 0.58 0.02 0.00 0.00 177.57 178.24 1vre h VAL 10 N 0.00 0.98 0.00 2.57 2.07 -1.22 -1.56 116.25 119.09 1vre h VAL 10 Ca 0.12 -0.62 0.00 0.00 0.82 0.00 0.00 66.70 67.02 1vre h VAL 10 Cb 0.49 1.35 0.00 0.00 -1.52 0.00 0.00 31.29 31.61 1vre h VAL 10 CO -0.00 0.14 0.00 0.00 0.02 0.00 0.00 177.57 177.73 1vre n ALA 11 N -2.35 1.58 0.02 1.67 0.00 -0.80 -1.98 120.51 118.65 1vre n ALA 11 Ca -0.09 -0.04 0.02 0.00 0.00 0.00 0.00 53.44 53.33 1vre n ALA 11 Cb 0.21 -1.20 -0.09 0.00 0.00 0.00 0.00 19.45 18.37 1vre n ALA 11 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1vre n SER 12 N -1.49 0.61 -0.20 0.00 3.41 -0.64 -3.71 113.62 111.61 1vre n SER 12 Ca 0.03 0.26 0.11 0.00 -0.26 0.00 0.00 58.87 59.01 1vre n SER 12 Cb 0.14 0.60 -0.01 0.00 -0.26 0.00 0.00 64.21 64.68 1vre n SER 12 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 1vre n THR 13 N -2.74 0.00 0.00 6.66 -2.24 -0.63 -4.20 114.28 111.14 1vre n THR 13 Ca -0.10 -0.10 0.03 0.00 -2.27 0.00 0.00 64.05 61.61 1vre n THR 13 Cb 0.79 0.99 -0.11 0.00 -2.10 0.00 0.00 70.33 69.90 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 -0.90 0.48 1.50 4.78 -0.00 -0.84 -3.27 117.44 119.19 1vre n TRP 14 Ca 0.07 0.15 0.13 0.00 -0.00 0.00 0.00 57.50 57.85 1vre n TRP 14 Cb 0.38 -0.87 0.74 0.00 -0.00 0.00 0.00 31.31 31.57 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 -2.63 0.64 -0.04 5.87 5.02 -1.24 -2.19 118.16 123.60 1vre n LYS 15 Ca -0.11 0.02 -0.08 0.00 -2.02 0.00 0.00 58.31 56.12 1vre n LYS 15 Cb 0.77 -1.50 -0.03 0.00 -0.02 0.00 0.00 35.03 34.25 1vre n LYS 15 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 1vre n ASP 16 N -1.12 0.67 0.13 4.39 8.00 -1.25 -4.12 116.55 123.25 1vre n ASP 16 Ca 0.17 0.11 0.01 0.00 0.71 0.00 0.00 54.79 55.79 1vre n ASP 16 Cb 0.14 -0.27 0.34 0.00 -0.02 0.00 0.00 41.12 41.32 1vre n ASP 16 CO 0.00 0.00 0.00 0.40 -0.39 0.00 0.00 177.20 177.21 1vre h ILE 17 N -0.30 1.23 -0.69 0.53 2.04 -1.66 -2.71 117.51 115.95 1vre h ILE 17 Ca -0.19 -1.10 -0.43 0.00 1.00 0.00 0.00 64.86 64.15 1vre h ILE 17 Cb 1.09 1.47 -0.25 0.00 -0.74 0.00 0.00 36.82 38.39 1vre h ILE 17 CO -0.11 0.33 0.14 0.00 0.00 0.00 0.00 178.15 178.51 1vre n ALA 18 N -2.48 5.16 -1.00 1.87 0.00 -0.93 -4.08 120.51 119.06 1vre n ALA 18 Ca -0.01 -3.30 0.00 0.00 0.00 0.00 0.00 53.44 50.13 1vre n ALA 18 Cb 0.36 -1.04 0.00 0.00 0.00 0.00 0.00 19.45 18.77 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 -1.01 -2.31 0.10 0.00 0.00 -1.02 -2.15 105.19 98.80 1vre n GLY 19 Ca 0.47 0.19 -0.11 0.00 0.00 0.00 0.00 46.02 46.57 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 -0.37 0.63 0.22 1.61 3.41 -1.26 -4.13 113.62 113.72 1vre n SER 20 Ca 0.00 0.16 0.11 0.00 -0.26 0.00 0.00 58.87 58.88 1vre n SER 20 Cb 0.00 0.37 0.34 0.00 -0.26 0.00 0.00 64.21 64.65 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 -1.57 4.04 2.03 -1.85 -3.46 116.42 115.60 1vre h ASP 21 Ca -0.44 0.00 -0.35 0.00 -0.73 0.00 0.00 57.03 55.50 1vre h ASP 21 Cb 2.12 0.00 -0.12 0.00 -0.83 0.00 0.00 39.33 40.50 1vre h ASP 21 CO 0.04 0.15 -0.35 -3.20 -1.03 0.00 0.00 179.24 174.86 1vre n ASN 22 N -3.20 -4.68 0.00 4.15 5.15 -0.91 -0.48 115.26 115.29 1vre n ASN 22 Ca 0.02 0.36 0.00 0.00 -0.60 0.00 0.00 54.58 54.36 1vre n ASN 22 Cb 0.49 -4.16 0.00 0.00 -0.53 0.00 0.00 39.78 35.58 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 -0.44 1.12 0.20 8.20 0.00 -1.26 -3.87 105.19 109.15 1vre n GLY 23 Ca -0.18 -0.06 -0.11 0.00 0.00 0.00 0.00 46.02 45.67 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 -0.42 0.00 4.61 0.00 -1.07 -2.59 119.26 119.79 1vre h ALA 24 Ca 0.00 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 54.72 1vre h ALA 24 Cb 0.01 0.16 -0.00 0.00 0.00 0.00 0.00 17.79 17.96 1vre h ALA 24 CO 0.00 -0.46 -0.06 0.78 0.00 0.00 0.00 179.25 179.51 1vre h GLY 25 N -0.97 0.00 1.57 0.00 0.00 -1.94 -2.83 103.07 98.89 1vre h GLY 25 Ca -0.04 0.00 -0.14 0.00 0.00 0.00 0.00 47.33 47.14 1vre h GLY 25 CO 0.07 0.00 -0.51 -2.08 0.00 0.00 0.00 176.54 174.02 1vre h VAL 26 N 0.00 1.33 0.08 4.60 2.07 -1.91 -2.41 116.25 120.01 1vre h VAL 26 Ca -0.00 -1.74 -0.19 0.00 0.82 0.00 0.00 66.70 65.59 1vre h VAL 26 Cb 0.59 1.75 0.02 0.00 -1.52 0.00 0.00 31.29 32.13 1vre h VAL 26 CO 0.01 0.53 -0.80 1.23 0.02 0.00 0.00 177.57 178.56 1vre h GLY 27 N 1.16 0.44 2.00 2.17 0.00 -1.23 -0.15 103.07 107.47 1vre h GLY 27 Ca 0.01 -0.94 -0.03 0.00 0.00 0.00 0.00 47.33 46.37 1vre h GLY 27 CO 0.09 0.83 -0.14 0.07 0.00 0.00 0.00 176.54 177.39 1vre h LYS 28 N -0.16 0.00 0.00 4.80 2.10 -1.55 -1.98 116.57 119.78 1vre h LYS 28 Ca -0.12 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.53 1vre h LYS 28 Cb 1.56 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.89 1vre h LYS 28 CO 0.15 0.14 -1.11 -0.85 -2.00 0.00 0.00 179.45 175.78 1vre n GLU 29 N -3.85 0.30 -0.01 0.07 -0.00 -0.91 -4.10 120.64 112.13 1vre n GLU 29 Ca -0.02 -0.03 -0.01 0.00 -0.00 0.00 0.00 57.16 57.10 1vre n GLU 29 Cb 0.23 -1.47 -0.00 0.00 -0.00 0.00 0.00 31.44 30.20 1vre n GLU 29 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1vre h PHE 31 N -0.18 0.05 -0.05 0.00 0.04 -1.60 -0.50 116.94 114.70 1vre h PHE 31 Ca 0.00 0.00 0.04 0.00 2.80 0.00 0.00 57.97 60.81 1vre h PHE 31 Cb 0.12 -0.01 -0.05 0.00 2.20 0.00 0.00 35.95 38.21 1vre h PHE 31 CO -0.05 0.01 -0.21 1.15 -0.60 0.00 0.00 178.31 178.60 1vre h THR 32 N 0.03 0.49 -0.34 -1.55 2.02 -1.72 0.12 112.91 111.96 1vre h THR 32 Ca 0.47 0.00 0.05 0.00 0.77 0.00 0.00 66.41 67.70 1vre h THR 32 Cb 1.81 0.49 -0.05 0.00 -1.74 0.00 0.00 68.15 68.66 1vre h THR 32 CO -0.02 0.00 0.04 0.11 0.37 0.00 0.00 175.52 176.02 1vre h LYS 33 N -0.31 0.15 -0.31 6.66 6.56 -1.25 0.15 116.57 128.22 1vre h LYS 33 Ca 0.08 -0.01 0.06 0.00 -1.06 0.00 0.00 60.65 59.72 1vre h LYS 33 Cb 0.42 -0.03 -0.06 0.00 -0.57 0.00 0.00 32.23 31.99 1vre h LYS 33 CO -0.23 0.10 -0.05 0.35 -2.06 0.00 0.00 179.45 177.56 1vre h PHE 34 N 0.15 -0.10 -0.39 -1.35 3.57 -1.25 0.35 116.94 117.92 1vre h PHE 34 Ca 0.16 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.69 1vre h PHE 34 Cb 0.20 0.09 -0.02 0.00 2.79 0.00 0.00 35.95 39.01 1vre h PHE 34 CO -0.20 -0.10 0.26 -0.07 -2.23 0.00 0.00 178.31 175.96 1vre h LEU 35 N 0.03 0.45 0.42 0.59 3.38 0.05 1.20 115.31 121.44 1vre h LEU 35 Ca 0.15 -0.02 -0.02 0.00 0.09 0.00 0.00 57.88 58.08 1vre h LEU 35 Cb 0.22 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 40.86 1vre h LEU 35 CO -0.29 0.33 -0.20 0.77 0.09 0.00 0.00 178.44 179.14 1vre h SER 36 N 0.53 -0.48 0.51 -0.43 4.64 0.13 -2.59 113.55 115.86 1vre h SER 36 Ca 0.14 -0.02 -0.06 0.00 -0.47 0.00 0.00 61.79 61.39 1vre h SER 36 Cb -0.06 0.12 -0.01 0.00 -0.31 0.00 0.00 62.40 62.15 1vre h SER 36 CO -0.03 -0.30 -0.28 0.00 -0.87 0.00 0.00 176.83 175.35 1vre h ALA 37 N -0.07 1.25 -3.64 5.18 0.00 -0.19 -3.38 119.26 118.40 1vre h ALA 37 Ca -0.06 -0.25 -0.68 0.00 0.00 0.00 0.00 54.91 53.92 1vre h ALA 37 Cb 0.47 -0.04 -0.36 0.00 0.00 0.00 0.00 17.79 17.86 1vre h ALA 37 CO 0.10 0.35 -0.73 -1.01 0.00 0.00 0.00 179.25 177.95 1vre s HIS 38 N -4.04 3.38 -0.27 0.00 3.76 0.41 -4.94 115.29 113.59 1vre s HIS 38 Ca -0.02 -2.29 0.23 0.00 -0.15 0.00 0.00 55.06 52.82 1vre s HIS 38 Cb 0.13 -2.28 0.06 0.00 1.11 0.00 0.00 32.58 31.60 1vre s HIS 38 CO 0.67 -0.87 1.14 0.45 -0.85 0.00 0.00 174.74 175.27 1vre h HIS 39 N 7.85 0.00 0.00 1.40 -0.00 -1.75 -3.23 115.15 119.42 1vre h HIS 39 Ca -0.17 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.20 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 0.59 0.00 0.00 -0.40 -0.00 0.00 0.00 177.93 178.12 1vre n ASP 40 N -2.73 0.19 -0.05 2.45 5.68 -1.26 -2.94 116.55 117.88 1vre n ASP 40 Ca 0.01 0.54 -0.03 0.00 -0.50 0.00 0.00 54.79 54.81 1vre n ASP 40 Cb 0.54 -0.58 -0.10 0.00 -1.14 0.00 0.00 41.12 39.84 1vre n ASP 40 CO 0.00 0.00 0.00 0.23 -1.33 0.00 0.00 177.20 176.10 1vre n MET 41 N -1.70 1.60 -0.24 0.11 2.81 -1.24 -4.32 117.12 114.13 1vre n MET 41 Ca 0.03 -0.03 0.04 0.00 -1.81 0.00 0.00 57.70 55.93 1vre n MET 41 Cb 0.21 -1.32 0.13 0.00 -0.71 0.00 0.00 33.22 31.53 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 0.76 0.70 0.00 3.04 0.00 -1.55 0.87 119.26 123.08 1vre h ALA 42 Ca -0.26 0.23 -0.10 0.00 0.00 0.00 0.00 54.91 54.78 1vre h ALA 42 Cb 1.51 0.42 -0.01 0.00 0.00 0.00 0.00 17.79 19.70 1vre h ALA 42 CO 0.01 -0.42 -0.47 0.00 0.00 0.00 0.00 179.25 178.38 1vre h ALA 43 N 1.67 1.11 -0.31 0.00 0.00 -1.70 0.21 119.26 120.25 1vre h ALA 43 Ca 0.38 -0.42 -0.16 0.00 0.00 0.00 0.00 54.91 54.71 1vre h ALA 43 Cb 0.65 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.36 1vre h ALA 43 CO -0.64 0.58 -0.44 0.28 0.00 0.00 0.00 179.25 179.03 1vre h VAL 44 N 0.00 1.29 0.00 0.00 2.07 0.29 -3.04 116.25 116.85 1vre h VAL 44 Ca -0.00 -1.62 -0.18 0.00 0.82 0.00 0.00 66.70 65.71 1vre h VAL 44 Cb 0.89 1.52 -0.03 0.00 -1.52 0.00 0.00 31.29 32.15 1vre h VAL 44 CO 0.06 0.53 -0.86 -0.26 0.02 0.00 0.00 177.57 177.06 1vre h PHE 45 N 0.63 0.00 0.00 1.57 -1.00 0.09 -3.40 116.94 114.83 1vre h PHE 45 Ca 0.04 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.82 1vre h PHE 45 Cb 1.01 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.57 1vre h PHE 45 CO 0.06 0.86 0.00 0.41 -1.61 0.00 0.00 178.31 178.02 1vre n GLY 46 N 0.95 1.98 3.49 -1.45 0.00 -0.51 -5.07 105.19 104.58 1vre n GLY 46 Ca -0.00 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.78 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 2.14 -0.03 1.61 0.08 0.63 -4.98 117.98 115.42 1vre s PHE 47 Ca 0.00 -0.72 0.17 0.00 0.12 0.00 0.00 56.93 56.50 1vre s PHE 47 Cb 0.00 -1.32 -0.26 0.00 -0.57 0.00 0.00 43.02 40.86 1vre s PHE 47 CO 0.00 0.30 0.37 0.45 -0.10 0.00 0.00 175.22 176.24 1vre n SER 48 N -0.71 1.07 -0.47 1.36 2.88 -1.26 -3.68 113.62 112.81 1vre n SER 48 Ca -0.05 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.49 1vre n SER 48 Cb 0.65 1.76 0.00 0.00 -0.75 0.00 0.00 64.21 65.87 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 1.54 1.66 2.05 0.46 0.00 -1.26 -4.98 105.19 104.66 1vre n GLY 49 Ca -0.04 -0.79 -0.23 0.00 0.00 0.00 0.00 46.02 44.96 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 5.40 -1.93 4.61 0.00 -1.26 -4.07 120.51 120.25 1vre n ALA 50 Ca 0.00 -2.45 0.03 0.00 0.00 0.00 0.00 53.44 51.02 1vre n ALA 50 Cb 0.00 -1.49 0.04 0.00 0.00 0.00 0.00 19.45 18.01 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 -0.51 0.77 -4.65 0.00 3.41 -1.26 -4.97 113.62 106.42 1vre n SER 51 Ca 0.47 -2.33 -0.35 0.00 -0.26 0.00 0.00 58.87 56.40 1vre n SER 51 Cb 0.94 -0.29 -0.10 0.00 -0.26 0.00 0.00 64.21 64.50 1vre n SER 51 CO 0.00 0.00 0.00 1.51 -0.16 0.00 0.00 175.04 176.39 1vre s ASP 52 N -1.73 5.09 0.66 4.04 -4.77 -1.26 -4.97 116.67 113.73 1vre s ASP 52 Ca 0.17 0.09 0.43 0.00 -3.30 0.00 0.00 52.55 49.93 1vre s ASP 52 Cb 0.17 -1.46 2.33 0.00 -1.09 0.00 0.00 42.92 42.87 1vre s ASP 52 CO -0.04 0.35 2.35 -0.65 0.70 0.00 0.00 175.17 177.88 1vre h PRO 53 N 5.36 0.00 -0.72 2.11 0.11 -1.97 -2.39 132.00 134.50 1vre h PRO 53 Ca -0.48 0.00 0.13 0.00 0.11 0.00 0.00 66.00 65.76 1vre h PRO 53 Cb 1.19 0.00 -0.09 0.00 0.11 0.00 0.00 31.00 32.21 1vre h PRO 53 CO 0.55 0.00 0.27 0.78 -0.21 0.00 0.00 178.00 179.40 1vre h GLY 54 N 0.06 1.07 0.18 -0.55 0.00 -1.93 0.27 103.07 102.17 1vre h GLY 54 Ca -0.00 -0.13 0.20 0.00 0.00 0.00 0.00 47.33 47.40 1vre h GLY 54 CO 0.00 -0.09 0.61 -2.08 0.00 0.00 0.00 176.54 174.98 1vre h VAL 55 N 0.42 0.69 0.00 4.60 2.07 -1.80 0.87 116.25 123.11 1vre h VAL 55 Ca 0.39 -0.22 -0.05 0.00 0.82 0.00 0.00 66.70 67.64 1vre h VAL 55 Cb 0.58 0.01 -0.01 0.00 -1.52 0.00 0.00 31.29 30.36 1vre h VAL 55 CO -0.39 0.11 -0.26 0.00 0.02 0.00 0.00 177.57 177.05 1vre h ALA 56 N 1.63 1.01 0.17 1.67 0.00 -0.65 -0.94 119.26 122.15 1vre h ALA 56 Ca 0.54 -0.24 -0.30 0.00 0.00 0.00 0.00 54.91 54.91 1vre h ALA 56 Cb 1.02 -0.04 0.02 0.00 0.00 0.00 0.00 17.79 18.79 1vre h ALA 56 CO -0.30 0.33 -1.33 0.22 0.00 0.00 0.00 179.25 178.17 1vre h ASP 57 N 0.00 0.69 0.13 0.00 1.82 0.12 -2.63 116.42 116.56 1vre h ASP 57 Ca -0.00 -0.71 -0.01 0.00 -0.39 0.00 0.00 57.03 55.92 1vre h ASP 57 Cb 0.79 -0.22 0.00 0.00 0.68 0.00 0.00 39.33 40.57 1vre h ASP 57 CO 0.03 1.54 -0.06 -0.07 -1.61 0.00 0.00 179.24 179.07 1vre h LEU 58 N 0.15 -0.15 -0.68 2.28 3.38 -0.82 -2.87 115.31 116.60 1vre h LEU 58 Ca -0.19 0.01 0.14 0.00 0.09 0.00 0.00 57.88 57.93 1vre h LEU 58 Cb 2.02 0.04 -0.10 0.00 0.09 0.00 0.00 40.66 42.71 1vre h LEU 58 CO 0.24 0.28 0.12 1.23 0.09 0.00 0.00 178.44 180.40 1vre h GLY 59 N -0.95 0.87 0.45 0.83 0.00 -1.35 0.66 103.07 103.58 1vre h GLY 59 Ca -0.02 0.00 0.11 0.00 0.00 0.00 0.00 47.33 47.42 1vre h GLY 59 CO 0.03 -0.19 0.49 0.00 0.00 0.00 0.00 176.54 176.87 1vre h ALA 60 N 1.58 1.25 0.00 3.60 0.00 -1.58 1.44 119.26 125.55 1vre h ALA 60 Ca 0.37 0.04 -0.16 0.00 0.00 0.00 0.00 54.91 55.16 1vre h ALA 60 Cb 0.61 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.26 1vre h ALA 60 CO -0.50 0.08 -0.76 0.87 0.00 0.00 0.00 179.25 178.94 1vre h LYS 61 N 0.79 0.00 0.00 0.00 1.57 -0.31 -3.11 116.57 115.51 1vre h LYS 61 Ca 0.43 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 59.21 1vre h LYS 61 Cb 0.45 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.76 1vre h LYS 61 CO -0.27 0.76 -0.01 0.28 -0.57 0.00 0.00 179.45 179.64 1vre h VAL 62 N 0.00 1.74 -0.74 0.50 2.07 0.22 -3.21 116.25 116.83 1vre h VAL 62 Ca -0.01 -2.19 0.17 0.00 0.82 0.00 0.00 66.70 65.49 1vre h VAL 62 Cb 1.41 3.23 -0.12 0.00 -1.52 0.00 0.00 31.29 34.29 1vre h VAL 62 CO 0.10 0.57 0.14 -0.07 0.02 0.00 0.00 177.57 178.33 1vre h LEU 63 N -0.92 -0.06 -0.27 2.57 -0.00 0.18 0.42 115.31 117.22 1vre h LEU 63 Ca -0.00 0.16 0.05 0.00 -0.00 0.00 0.00 57.88 58.09 1vre h LEU 63 Cb 0.94 0.23 -0.05 0.00 -0.00 0.00 0.00 40.66 41.78 1vre h LEU 63 CO 0.00 -0.08 -0.06 0.00 -0.00 0.00 0.00 178.44 178.30 1vre h ALA 64 N 1.64 0.18 -0.82 1.53 0.00 -1.63 -0.86 119.26 119.30 1vre h ALA 64 Ca 0.42 0.10 0.16 0.00 0.00 0.00 0.00 54.91 55.60 1vre h ALA 64 Cb 0.74 0.20 -0.10 0.00 0.00 0.00 0.00 17.79 18.62 1vre h ALA 64 CO -0.55 -0.46 0.37 0.37 0.00 0.00 0.00 179.25 178.98 1vre h GLN 65 N 0.01 0.48 -0.69 0.00 5.75 -0.93 0.28 115.11 120.02 1vre h GLN 65 Ca 0.13 -0.03 0.05 0.00 -0.15 0.00 0.00 58.65 58.65 1vre h GLN 65 Cb 0.19 -0.11 -0.05 0.00 1.07 0.00 0.00 27.48 28.59 1vre h GLN 65 CO -0.27 0.32 0.41 0.82 -2.65 0.00 0.00 178.83 177.46 1vre h ILE 66 N 0.50 1.03 0.50 2.39 1.08 -0.67 0.14 117.51 122.49 1vre h ILE 66 Ca 0.47 -0.26 -0.02 0.00 -0.39 0.00 0.00 64.86 64.65 1vre h ILE 66 Cb 0.74 0.19 0.00 0.00 -3.07 0.00 0.00 36.82 34.68 1vre h ILE 66 CO -0.42 0.14 -0.24 1.23 -0.69 0.00 0.00 178.15 178.17 1vre h GLY 67 N 0.77 -0.71 0.60 5.37 0.00 0.12 0.99 103.07 110.22 1vre h GLY 67 Ca 0.29 0.26 0.15 0.00 0.00 0.00 0.00 47.33 48.04 1vre h GLY 67 CO -0.15 -0.26 0.54 -2.08 0.00 0.00 0.00 176.54 174.59 1vre h VAL 68 N -0.72 0.80 0.01 4.60 2.07 -0.62 0.12 116.25 122.51 1vre h VAL 68 Ca -0.07 -0.18 -0.21 0.00 0.82 0.00 0.00 66.70 67.06 1vre h VAL 68 Cb 0.54 0.24 -0.03 0.00 -1.52 0.00 0.00 31.29 30.53 1vre h VAL 68 CO 0.11 0.09 -1.01 0.00 0.02 0.00 0.00 177.57 176.79 1vre h ALA 69 N 1.63 0.35 0.00 1.67 0.00 -0.07 -3.13 119.26 119.71 1vre h ALA 69 Ca 0.41 -0.90 0.00 0.00 0.00 0.00 0.00 54.91 54.42 1vre h ALA 69 Cb 0.83 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.47 1vre h ALA 69 CO -0.15 1.22 0.00 0.28 0.00 0.00 0.00 179.25 180.59 1vre h VAL 70 N 0.01 0.00 -0.01 0.00 2.07 0.36 -1.92 116.25 116.76 1vre h VAL 70 Ca -0.02 -0.28 0.00 0.00 0.82 0.00 0.00 66.70 67.22 1vre h VAL 70 Cb 1.77 1.08 0.00 0.00 -1.52 0.00 0.00 31.29 32.61 1vre h VAL 70 CO 0.13 0.00 -0.00 -1.20 0.02 0.00 0.00 177.57 176.52 1vre n SER 71 N -2.52 1.50 -2.71 0.57 7.64 -0.75 -4.21 113.62 113.15 1vre n SER 71 Ca 0.01 -1.49 -0.10 0.00 1.01 0.00 0.00 58.87 58.30 1vre n SER 71 Cb 0.23 0.00 0.02 0.00 -1.01 0.00 0.00 64.21 63.45 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 0.17 1.06 0.10 1.43 8.25 -0.72 -4.88 115.22 120.63 1vre n HIS 72 Ca 0.19 -2.88 -0.13 0.00 -0.26 0.00 0.00 57.72 54.65 1vre n HIS 72 Cb 0.36 -0.38 -0.06 0.00 1.12 0.00 0.00 29.99 31.02 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 3.00 -0.27 0.00 2.41 -0.00 -1.73 -3.11 115.31 115.61 1vre h LEU 73 Ca -0.08 0.03 -0.17 0.00 -0.00 0.00 0.00 57.88 57.65 1vre h LEU 73 Cb 1.16 0.09 -0.03 0.00 -0.00 0.00 0.00 40.66 41.89 1vre h LEU 73 CO 0.50 -0.16 -1.58 0.61 -0.00 0.00 0.00 178.44 177.81 1vre n GLY 74 N -1.22 -1.16 2.37 0.83 0.00 -1.26 -4.40 105.19 100.35 1vre n GLY 74 Ca -0.07 -0.19 -0.36 0.00 0.00 0.00 0.00 46.02 45.39 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 -2.80 8.06 0.00 1.61 9.92 -1.18 -4.55 116.55 127.61 1vre n ASP 75 Ca -0.12 -2.53 0.08 0.00 -0.53 0.00 0.00 54.79 51.69 1vre n ASP 75 Cb 0.84 -1.48 0.37 0.00 -0.64 0.00 0.00 41.12 40.21 1vre n ASP 75 CO 0.00 0.00 0.00 -1.84 0.13 0.00 0.00 177.20 175.49 1vre n GLU 76 N 3.72 0.15 0.32 -1.24 -0.00 -1.25 -2.93 120.64 119.41 1vre n GLU 76 Ca 0.73 0.17 0.19 0.00 -0.00 0.00 0.00 57.16 58.24 1vre n GLU 76 Cb 0.21 -1.50 0.99 0.00 -0.00 0.00 0.00 31.44 31.15 1vre n GLU 76 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.13 177.91 1vre h GLY 77 N 2.59 0.00 0.00 -1.84 0.00 -1.92 -3.12 103.07 98.78 1vre h GLY 77 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1vre h GLY 77 CO 0.00 0.00 -0.49 1.17 0.00 0.00 0.00 176.54 177.22 1vre n LYS 78 N -2.91 0.12 -0.10 4.80 4.81 -1.15 -4.63 118.16 119.10 1vre n LYS 78 Ca -0.02 0.00 -0.08 0.00 -0.87 0.00 0.00 58.31 57.33 1vre n LYS 78 Cb 0.20 -0.74 -0.02 0.00 0.02 0.00 0.00 35.03 34.49 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 -0.27 0.00 1.64 4.05 -1.57 0.78 114.93 119.56 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 0.49 0.06 0.00 0.00 -0.80 0.00 0.00 31.60 31.35 1vre h MET 79 CO 0.00 -0.18 0.00 0.28 0.23 0.00 0.00 176.91 177.24 1vre n VAL 80 N -5.42 1.04 0.10 -5.77 0.31 -1.18 -1.41 118.33 106.00 1vre n VAL 80 Ca 0.00 0.29 -0.19 0.00 -0.01 0.00 0.00 64.34 64.43 1vre n VAL 80 Cb 0.34 -1.13 -0.12 0.00 -0.91 0.00 0.00 33.84 32.02 1vre n VAL 80 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1vre h ALA 81 N 2.36 0.08 0.13 3.52 0.00 0.35 -2.64 119.26 123.06 1vre h ALA 81 Ca 0.00 -0.81 -0.34 0.00 0.00 0.00 0.00 54.91 53.76 1vre h ALA 81 Cb 0.25 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 1vre h ALA 81 CO 0.00 0.81 -1.82 0.93 0.00 0.00 0.00 179.25 179.17 1vre h GLU 82 N 0.18 0.28 -0.88 0.00 5.08 -0.97 -3.34 114.58 114.92 1vre h GLU 82 Ca -0.16 -0.47 0.00 0.00 -1.00 0.00 0.00 59.36 57.73 1vre h GLU 82 Cb 1.90 0.18 -0.04 0.00 0.50 0.00 0.00 28.75 31.28 1vre h GLU 82 CO 0.22 1.23 0.57 0.52 -1.00 0.00 0.00 179.01 180.54 1vre h MET 83 N -0.04 1.18 -0.88 2.33 2.86 -1.37 -1.50 114.93 117.49 1vre h MET 83 Ca -0.39 -0.09 0.16 0.00 -2.06 0.00 0.00 59.70 57.33 1vre h MET 83 Cb 1.97 -0.26 -0.10 0.00 0.06 0.00 0.00 31.60 33.27 1vre h MET 83 CO 0.08 0.80 0.47 0.87 1.06 0.00 0.00 176.91 180.19 1vre h LYS 84 N 1.21 0.62 -0.90 1.72 1.79 -1.61 0.33 116.57 119.73 1vre h LYS 84 Ca 0.32 -0.04 -0.01 0.00 -2.18 0.00 0.00 60.65 58.74 1vre h LYS 84 Cb -0.10 -0.14 -0.04 0.00 -1.58 0.00 0.00 32.23 30.36 1vre h LYS 84 CO -0.07 0.41 0.51 0.00 -1.08 0.00 0.00 179.45 179.23 1vre h ALA 85 N 1.58 1.21 0.01 3.86 0.00 -1.40 0.17 119.26 124.69 1vre h ALA 85 Ca 0.49 -0.12 0.02 0.00 0.00 0.00 0.00 54.91 55.30 1vre h ALA 85 Cb 0.72 -0.36 -0.03 0.00 0.00 0.00 0.00 17.79 18.12 1vre h ALA 85 CO -0.37 0.65 -0.12 0.28 0.00 0.00 0.00 179.25 179.68 1vre h VAL 86 N 1.25 0.69 0.35 0.00 2.07 -0.08 0.22 116.25 120.75 1vre h VAL 86 Ca 0.32 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.82 1vre h VAL 86 Cb -0.01 0.69 0.00 0.00 -1.52 0.00 0.00 31.29 30.46 1vre h VAL 86 CO -0.05 0.00 -0.17 1.23 0.02 0.00 0.00 177.57 178.60 1vre h GLY 87 N -0.22 -0.49 0.32 2.17 0.00 -0.92 0.17 103.07 104.10 1vre h GLY 87 Ca 0.04 0.18 0.16 0.00 0.00 0.00 0.00 47.33 47.71 1vre h GLY 87 CO -0.12 -0.18 0.68 -2.08 0.00 0.00 0.00 176.54 174.85 1vre h VAL 88 N -0.51 0.22 0.13 4.60 2.07 0.38 0.39 116.25 123.52 1vre h VAL 88 Ca -0.05 0.00 -0.25 0.00 0.82 0.00 0.00 66.70 67.22 1vre h VAL 88 Cb 0.39 0.44 0.01 0.00 -1.52 0.00 0.00 31.29 30.61 1vre h VAL 88 CO 0.08 0.00 -1.20 0.03 0.02 0.00 0.00 177.57 176.50 1vre h ARG 89 N 0.00 0.28 -0.45 1.57 2.47 0.11 -3.31 114.38 115.04 1vre h ARG 89 Ca 0.26 -0.47 0.04 0.00 -1.26 0.00 0.00 59.98 58.55 1vre h ARG 89 Cb 1.63 0.18 -0.02 0.00 -1.65 0.00 0.00 29.97 30.10 1vre h ARG 89 CO -0.00 1.23 0.30 0.45 0.56 0.00 0.00 179.97 182.51 1vre h HIS 90 N -0.31 0.46 0.00 3.04 3.86 0.15 -0.23 115.15 122.12 1vre h HIS 90 Ca -0.24 0.01 0.00 0.00 -1.16 0.00 0.00 60.37 58.98 1vre h HIS 90 Cb 1.74 -0.15 0.00 0.00 1.06 0.00 0.00 27.41 30.05 1vre h HIS 90 CO 0.15 0.27 0.00 1.57 0.86 0.00 0.00 177.93 180.78 1vre h LYS 91 N 0.48 0.00 -1.01 2.45 5.09 -0.63 -2.80 116.57 120.15 1vre h LYS 91 Ca 0.19 0.00 -0.43 0.00 0.09 0.00 0.00 60.65 60.50 1vre h LYS 91 Cb 0.15 0.00 -0.41 0.00 0.10 0.00 0.00 32.23 32.07 1vre h LYS 91 CO -0.05 0.00 -1.00 0.41 -2.09 0.00 0.00 179.45 176.73 1vre n GLY 92 N -1.07 3.54 1.25 0.07 0.00 -0.10 -4.82 105.19 104.05 1vre n GLY 92 Ca -0.01 -1.86 -0.08 0.00 0.00 0.00 0.00 46.02 44.06 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 -0.37 -3.55 0.11 1.61 4.02 -1.06 -4.98 117.16 112.93 1vre n TYR 93 Ca 0.22 -0.49 -0.00 0.00 -0.01 0.00 0.00 57.90 57.62 1vre n TYR 93 Cb 0.79 -0.27 -0.03 0.00 -0.02 0.00 0.00 39.34 39.81 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 -0.35 0.00 0.16 2.72 0.00 -1.92 -3.33 103.07 100.35 1vre h GLY 94 Ca -0.12 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.21 1vre h GLY 94 CO 0.11 0.00 -0.04 -0.57 0.00 0.00 0.00 176.54 176.04 1vre h ASN 95 N 0.00 -0.10 0.00 0.19 -1.24 -1.91 -3.47 115.58 109.05 1vre h ASN 95 Ca -0.03 -0.40 0.00 0.00 0.71 0.00 0.00 56.30 56.58 1vre h ASN 95 Cb 1.51 0.02 0.00 0.00 0.73 0.00 0.00 38.32 40.59 1vre h ASN 95 CO 0.08 0.55 0.00 1.17 -1.29 0.00 0.00 177.43 177.94 1vre n LYS 96 N -4.81 0.00 -1.31 6.67 3.00 -1.25 -4.82 118.16 115.64 1vre n LYS 96 Ca -0.06 0.00 -0.27 0.00 -0.00 0.00 0.00 58.31 57.98 1vre n LYS 96 Cb 0.24 -1.41 0.02 0.00 0.00 0.00 0.00 35.03 33.88 1vre n LYS 96 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.40 178.12 1vre n HIS 97 N -1.87 2.20 -1.56 5.64 8.25 -1.26 -4.97 115.22 121.66 1vre n HIS 97 Ca 0.00 -2.29 -0.31 0.00 -0.26 0.00 0.00 57.72 54.86 1vre n HIS 97 Cb 0.00 -1.23 0.06 0.00 1.12 0.00 0.00 29.99 29.94 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 -3.34 3.92 -0.16 1.59 1.01 -1.26 -5.07 121.20 117.89 1vre s ILE 98 Ca 0.50 0.62 -0.12 0.00 0.00 0.00 0.00 60.65 61.65 1vre s ILE 98 Cb 0.38 -3.36 0.05 0.00 0.01 0.00 0.00 42.46 39.54 1vre s ILE 98 CO -0.12 -0.81 0.40 -0.54 0.00 0.00 0.00 174.94 173.87 1vre s LYS 99 N -5.05 0.44 0.00 2.79 3.01 -1.26 -5.00 119.74 114.66 1vre s LYS 99 Ca 0.58 0.64 0.23 0.00 -1.01 0.00 0.00 55.97 56.41 1vre s LYS 99 Cb -0.14 0.13 1.15 0.00 -1.01 0.00 0.00 37.83 37.96 1vre s LYS 99 CO 0.55 -0.09 1.74 0.00 0.51 0.00 0.00 175.35 178.05 1vre n ALA 100 N 3.39 2.17 0.10 5.17 0.00 -1.26 -2.86 120.51 127.23 1vre n ALA 100 Ca -0.17 -0.11 -0.04 0.00 0.00 0.00 0.00 53.44 53.12 1vre n ALA 100 Cb 0.56 -1.37 0.06 0.00 0.00 0.00 0.00 19.45 18.71 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 0.05 0.00 0.00 4.39 -2.03 -3.05 114.58 113.94 1vre h GLU 101 Ca 0.00 -0.05 -0.06 0.00 0.34 0.00 0.00 59.36 59.59 1vre h GLU 101 Cb 0.21 0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 28.86 1vre h GLU 101 CO 0.00 0.79 -0.28 1.88 -1.16 0.00 0.00 179.01 180.24 1vre h TYR 102 N 0.03 0.00 0.26 4.33 0.05 -1.96 -3.33 116.97 116.35 1vre h TYR 102 Ca -0.01 0.00 -0.01 0.00 0.05 0.00 0.00 58.73 58.76 1vre h TYR 102 Cb 1.34 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 39.07 1vre h TYR 102 CO 0.01 0.28 -0.30 0.74 -1.05 0.00 0.00 178.16 177.83 1vre h PHE 103 N 0.00 -0.84 -0.55 4.88 -1.00 -1.67 0.72 116.94 118.48 1vre h PHE 103 Ca -0.00 0.01 0.07 0.00 2.81 0.00 0.00 57.97 60.86 1vre h PHE 103 Cb 1.00 0.33 -0.10 0.00 3.61 0.00 0.00 35.95 40.79 1vre h PHE 103 CO 0.00 -0.39 -0.51 1.49 -1.61 0.00 0.00 178.31 177.29 1vre h GLU 104 N -0.58 -0.27 -0.36 1.51 4.57 -1.71 1.04 114.58 118.78 1vre h GLU 104 Ca -0.03 0.02 0.01 0.00 -1.18 0.00 0.00 59.36 58.18 1vre h GLU 104 Cb 0.51 0.06 -0.02 0.00 -0.16 0.00 0.00 28.75 29.14 1vre h GLU 104 CO -0.06 -0.18 0.22 -1.00 -1.18 0.00 0.00 179.01 176.81 1vre h PRO 105 N -0.28 0.44 0.00 0.92 0.13 -1.67 0.46 132.00 132.00 1vre h PRO 105 Ca 0.13 -0.03 -0.01 0.00 -0.87 0.00 0.00 66.00 65.22 1vre h PRO 105 Cb 0.56 -0.10 -0.00 0.00 0.13 0.00 0.00 31.00 31.59 1vre h PRO 105 CO -0.68 0.29 -0.04 1.25 -0.23 0.00 0.00 178.00 178.60 1vre h LEU 106 N 0.45 0.00 0.19 1.56 7.12 0.21 -1.44 115.31 123.41 1vre h LEU 106 Ca 0.14 0.00 -0.32 0.00 0.13 0.00 0.00 57.88 57.83 1vre h LEU 106 Cb -0.02 0.00 0.02 0.00 -0.53 0.00 0.00 40.66 40.13 1vre h LEU 106 CO -0.05 0.04 -1.46 1.23 -0.13 0.00 0.00 178.44 178.06 1vre h GLY 107 N 0.16 0.47 0.93 3.75 0.00 0.28 -3.13 103.07 105.53 1vre h GLY 107 Ca -0.00 -1.20 -0.04 0.00 0.00 0.00 0.00 47.33 46.08 1vre h GLY 107 CO 0.00 1.05 -0.49 0.00 0.00 0.00 0.00 176.54 177.11 1vre h ALA 108 N 0.31 -1.33 -0.37 3.60 0.00 0.85 -1.09 119.26 121.23 1vre h ALA 108 Ca -0.23 -0.28 0.11 0.00 0.00 0.00 0.00 54.91 54.50 1vre h ALA 108 Cb 2.09 0.56 -0.01 0.00 0.00 0.00 0.00 17.79 20.42 1vre h ALA 108 CO 0.23 -1.25 0.46 0.77 0.00 0.00 0.00 179.25 179.46 1vre h SER 109 N -1.30 0.00 -0.11 0.00 0.02 -1.51 0.41 113.55 111.07 1vre h SER 109 Ca -0.13 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 60.81 1vre h SER 109 Cb 1.01 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.55 1vre h SER 109 CO 0.18 0.00 -0.01 0.25 -1.14 0.00 0.00 176.83 176.11 1vre h LEU 110 N 0.00 0.19 -1.77 5.07 6.46 -1.15 -0.98 115.31 123.13 1vre h LEU 110 Ca 0.18 -0.32 0.07 0.00 -0.12 0.00 0.00 57.88 57.68 1vre h LEU 110 Cb 1.09 -0.05 -0.02 0.00 -0.73 0.00 0.00 40.66 40.95 1vre h LEU 110 CO -0.00 0.47 0.28 -0.07 -0.62 0.00 0.00 178.44 178.50 1vre h LEU 111 N -0.09 0.25 -0.20 2.25 3.38 -0.41 0.27 115.31 120.74 1vre h LEU 111 Ca 0.03 0.00 -0.22 0.00 0.09 0.00 0.00 57.88 57.78 1vre h LEU 111 Cb 0.38 -0.05 0.01 0.00 0.09 0.00 0.00 40.66 41.08 1vre h LEU 111 CO 0.01 0.16 -0.80 0.28 0.09 0.00 0.00 178.44 178.17 1vre h SER 112 N 0.28 0.81 0.15 -0.43 0.02 -1.28 -3.19 113.55 109.92 1vre h SER 112 Ca 0.18 -0.55 -0.18 0.00 -0.84 0.00 0.00 61.79 60.41 1vre h SER 112 Cb 0.37 -0.24 -0.00 0.00 0.14 0.00 0.00 62.40 62.67 1vre h SER 112 CO -0.04 1.34 -0.67 0.00 -1.14 0.00 0.00 176.83 176.32 1vre h ALA 113 N 0.64 0.62 -0.88 3.77 0.00 0.20 -3.12 119.26 120.49 1vre h ALA 113 Ca -0.06 -0.57 0.16 0.00 0.00 0.00 0.00 54.91 54.45 1vre h ALA 113 Cb 1.42 -0.07 -0.10 0.00 0.00 0.00 0.00 17.79 19.05 1vre h ALA 113 CO 0.16 0.73 0.46 0.52 0.00 0.00 0.00 179.25 181.11 1vre h MET 114 N 0.34 0.59 -0.34 0.00 2.07 -0.53 0.49 114.93 117.56 1vre h MET 114 Ca -0.02 -0.04 0.10 0.00 -2.07 0.00 0.00 59.70 57.68 1vre h MET 114 Cb 1.23 -0.13 -0.01 0.00 -1.87 0.00 0.00 31.60 30.81 1vre h MET 114 CO 0.12 0.39 0.54 1.49 1.07 0.00 0.00 176.91 180.52 1vre h GLU 115 N 0.61 0.00 -0.42 1.72 4.81 -1.56 0.11 114.58 119.85 1vre h GLU 115 Ca 0.50 0.00 0.12 0.00 -0.13 0.00 0.00 59.36 59.85 1vre h GLU 115 Cb 0.76 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 30.12 1vre h GLU 115 CO -0.39 0.00 0.41 0.45 -0.73 0.00 0.00 179.01 178.75 1vre h HIS 116 N 0.00 0.00 0.00 0.92 3.86 -0.17 0.85 115.15 120.61 1vre h HIS 116 Ca 0.16 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.37 1vre h HIS 116 Cb 1.24 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.71 1vre h HIS 116 CO 0.00 0.00 0.00 -2.13 0.86 0.00 0.00 177.93 176.66 1vre n ARG 117 N -3.87 0.00 0.04 2.45 0.63 0.38 -4.65 116.66 111.63 1vre n ARG 117 Ca 0.07 0.00 -0.01 0.00 -0.92 0.00 0.00 57.85 57.00 1vre n ARG 117 Cb 0.59 -0.31 0.28 0.00 0.45 0.00 0.00 32.46 33.48 1vre n ARG 117 CO 0.00 0.00 0.00 -0.84 -2.51 0.00 0.00 177.63 174.28 1vre h ILE 118 N 0.00 1.22 0.00 5.15 3.07 -1.64 -3.45 117.51 121.86 1vre h ILE 118 Ca 0.00 -0.97 0.00 0.00 1.55 0.00 0.00 64.86 65.44 1vre h ILE 118 Cb 0.00 1.17 0.00 0.00 -0.27 0.00 0.00 36.82 37.72 1vre h ILE 118 CO 0.00 0.31 0.00 0.61 -1.05 0.00 0.00 178.15 178.02 1vre n GLY 119 N -0.69 1.56 0.43 0.16 0.00 0.30 -0.06 105.19 106.89 1vre n GLY 119 Ca 0.00 0.58 0.27 0.00 0.00 0.00 0.00 46.02 46.87 1vre n GLY 119 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1vre h GLY 120 N 0.00 1.16 2.00 -0.02 0.00 -1.87 1.46 103.07 105.79 1vre h GLY 120 Ca 0.00 -0.17 -0.02 0.00 0.00 0.00 0.00 47.33 47.14 1vre h GLY 120 CO 0.00 -0.19 -0.09 0.50 0.00 0.00 0.00 176.54 176.76 1vre h LYS 121 N 0.29 0.00 -4.59 4.80 1.57 -0.83 -3.34 116.57 114.47 1vre h LYS 121 Ca 0.64 0.00 -0.64 0.00 -1.87 0.00 0.00 60.65 58.79 1vre h LYS 121 Cb 1.80 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 34.10 1vre h LYS 121 CO -0.31 0.09 2.44 -0.12 -0.57 0.00 0.00 179.45 180.99 1vre n MET 122 N -3.31 2.20 -0.81 3.15 1.56 0.50 -4.81 117.12 115.61 1vre n MET 122 Ca -0.01 -2.37 -0.18 0.00 -0.27 0.00 0.00 57.70 54.88 1vre n MET 122 Cb 0.30 -3.22 0.14 0.00 2.15 0.00 0.00 33.22 32.59 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 7.92 -1.05 -0.14 6.12 6.94 -1.26 -4.63 115.26 129.17 1vre n ASN 123 Ca 0.50 -1.04 -0.07 0.00 -0.02 0.00 0.00 54.58 53.95 1vre n ASN 123 Cb 0.41 -0.61 0.02 0.00 -2.36 0.00 0.00 39.78 37.24 1vre n ASN 123 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1vre h ALA 124 N -2.24 0.55 -0.30 -2.53 0.00 -1.95 -0.72 119.26 112.06 1vre h ALA 124 Ca -0.25 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.65 1vre h ALA 124 Cb 0.74 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.38 1vre h ALA 124 CO 0.17 -0.06 0.19 0.00 0.00 0.00 0.00 179.25 179.55 1vre h ALA 125 N 1.19 1.77 0.13 0.00 0.00 -1.96 0.80 119.26 121.19 1vre h ALA 125 Ca 0.17 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.05 1vre h ALA 125 Cb 0.00 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.67 1vre h ALA 125 CO -0.07 0.21 -0.06 0.00 0.00 0.00 0.00 179.25 179.32 1vre h ALA 126 N 1.80 -0.18 0.00 0.00 0.00 -1.49 1.27 119.26 120.67 1vre h ALA 126 Ca 0.11 -0.18 -0.11 0.00 0.00 0.00 0.00 54.91 54.73 1vre h ALA 126 Cb -0.04 0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 1vre h ALA 126 CO -0.02 -0.43 -0.52 1.57 0.00 0.00 0.00 179.25 179.85 1vre h LYS 127 N -0.53 0.00 0.17 0.00 2.10 -0.82 -2.61 116.57 114.89 1vre h LYS 127 Ca -0.02 0.00 -0.23 0.00 -2.00 0.00 0.00 60.65 58.41 1vre h LYS 127 Cb 0.42 0.00 0.03 0.00 -0.90 0.00 0.00 32.23 31.77 1vre h LYS 127 CO 0.03 0.52 -0.99 0.22 -2.00 0.00 0.00 179.45 177.23 1vre h ASP 128 N 0.00 0.57 -0.51 7.07 1.82 0.71 -0.79 116.42 125.30 1vre h ASP 128 Ca -0.01 -0.95 0.06 0.00 -0.39 0.00 0.00 57.03 55.74 1vre h ASP 128 Cb 0.98 -0.18 -0.05 0.00 0.68 0.00 0.00 39.33 40.76 1vre h ASP 128 CO 0.07 1.48 0.22 0.00 -1.61 0.00 0.00 179.24 179.40 1vre h ALA 129 N 0.10 0.64 -0.02 -0.78 0.00 0.16 -1.06 119.26 118.30 1vre h ALA 129 Ca -0.17 0.04 -0.18 0.00 0.00 0.00 0.00 54.91 54.60 1vre h ALA 129 Cb 1.78 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 19.54 1vre h ALA 129 CO 0.18 -0.15 -0.77 -1.49 0.00 0.00 0.00 179.25 177.02 1vre h TRP 130 N 0.43 0.26 -0.21 0.00 6.55 -1.55 -1.72 115.95 119.71 1vre h TRP 130 Ca 0.23 -0.13 0.06 0.00 0.95 0.00 0.00 58.89 60.01 1vre h TRP 130 Cb 0.20 -0.03 -0.01 0.00 -0.86 0.00 0.00 29.16 28.45 1vre h TRP 130 CO -0.13 0.88 0.22 0.00 -1.05 0.00 0.00 178.44 178.36 1vre h ALA 131 N 1.08 1.87 0.00 1.49 0.00 0.10 1.55 119.26 125.35 1vre h ALA 131 Ca -0.03 -0.01 -0.33 0.00 0.00 0.00 0.00 54.91 54.54 1vre h ALA 131 Cb 1.36 0.02 -0.06 0.00 0.00 0.00 0.00 17.79 19.10 1vre h ALA 131 CO 0.12 -0.33 -2.05 0.00 0.00 0.00 0.00 179.25 176.99 1vre n ALA 132 N -2.36 1.47 -0.07 0.00 0.00 -0.68 -3.96 120.51 114.91 1vre n ALA 132 Ca 0.02 -1.03 -0.10 0.00 0.00 0.00 0.00 53.44 52.33 1vre n ALA 132 Cb 0.35 -0.52 -0.07 0.00 0.00 0.00 0.00 19.45 19.21 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 0.94 0.05 -0.81 0.00 0.00 -0.14 -2.99 119.26 116.30 1vre h ALA 133 Ca -0.42 -0.47 0.24 0.00 0.00 0.00 0.00 54.91 54.25 1vre h ALA 133 Cb 2.12 0.20 -0.03 0.00 0.00 0.00 0.00 17.79 20.07 1vre h ALA 133 CO 0.05 0.19 0.74 0.10 0.00 0.00 0.00 179.25 180.33 1vre h TYR 134 N -1.00 0.00 0.05 0.00 -0.00 0.19 1.33 116.97 117.55 1vre h TYR 134 Ca -0.06 0.00 -0.24 0.00 -0.00 0.00 0.00 58.73 58.42 1vre h TYR 134 Cb 0.68 0.00 -0.02 0.00 -0.00 0.00 0.00 36.73 37.40 1vre h TYR 134 CO 0.10 0.00 -1.17 0.00 -0.00 0.00 0.00 178.16 177.09 1vre h ALA 135 N 1.29 0.29 0.13 0.10 0.00 -1.68 -2.65 119.26 116.74 1vre h ALA 135 Ca 0.39 -0.95 -0.29 0.00 0.00 0.00 0.00 54.91 54.05 1vre h ALA 135 Cb 1.85 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.62 1vre h ALA 135 CO -0.00 1.17 -1.38 -0.44 0.00 0.00 0.00 179.25 178.60 1vre h ASP 136 N 0.03 0.45 0.66 0.00 5.19 0.15 -2.17 116.42 120.72 1vre h ASP 136 Ca -0.09 -0.53 -0.03 0.00 -0.62 0.00 0.00 57.03 55.77 1vre h ASP 136 Cb 1.87 -0.15 0.01 0.00 0.18 0.00 0.00 39.33 41.24 1vre h ASP 136 CO 0.15 1.42 -0.32 0.40 -3.12 0.00 0.00 179.24 177.78 1vre h ILE 137 N 0.08 0.00 0.00 0.35 5.03 0.40 -2.49 117.51 120.88 1vre h ILE 137 Ca -0.19 -0.30 0.00 0.00 -0.12 0.00 0.00 64.86 64.25 1vre h ILE 137 Cb 2.01 0.00 0.00 0.00 -3.03 0.00 0.00 36.82 35.80 1vre h ILE 137 CO 0.19 0.00 0.00 -1.20 -0.68 0.00 0.00 178.15 176.46 1vre n SER 138 N -5.21 0.27 -0.01 1.72 7.64 -1.00 -2.38 113.62 114.64 1vre n SER 138 Ca -0.11 0.59 -0.16 0.00 1.01 0.00 0.00 58.87 60.20 1vre n SER 138 Cb 0.35 -0.64 -0.11 0.00 -1.01 0.00 0.00 64.21 62.80 1vre n SER 138 CO 0.00 0.00 0.00 1.23 -3.01 0.00 0.00 175.04 173.26 1vre h GLY 139 N 1.23 0.30 2.00 0.23 0.00 -1.07 -3.16 103.07 102.60 1vre h GLY 139 Ca 0.00 -0.52 -0.01 0.00 0.00 0.00 0.00 47.33 46.81 1vre h GLY 139 CO 0.00 0.46 -0.02 0.00 0.00 0.00 0.00 176.54 176.97 1vre h ALA 140 N 0.28 1.83 0.00 3.60 0.00 -1.08 -0.01 119.26 123.89 1vre h ALA 140 Ca -0.05 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.81 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 -0.12 1.25 0.00 0.00 0.00 179.25 180.48 1vre h LEU 141 N 0.00 0.00 0.00 0.00 6.46 -1.55 -2.53 115.31 117.68 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 0.05 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 39.98 1vre h LEU 141 CO 0.00 0.12 0.00 -0.38 -0.62 0.00 0.00 178.44 177.56 1vre n ILE 142 N -3.25 0.00 0.04 4.05 5.41 -0.02 -2.18 119.36 123.41 1vre n ILE 142 Ca 0.01 0.00 -0.20 0.00 1.00 0.00 0.00 62.75 63.55 1vre n ILE 142 Cb 0.39 -0.48 -0.14 0.00 -0.71 0.00 0.00 39.64 38.70 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 0.00 0.43 -0.33 4.38 0.02 -1.53 -3.36 113.55 113.15 1vre h SER 143 Ca 0.00 -0.93 0.00 0.00 -0.84 0.00 0.00 61.79 60.02 1vre h SER 143 Cb 0.00 -0.14 0.00 0.00 0.14 0.00 0.00 62.40 62.40 1vre h SER 143 CO 0.00 1.43 0.00 0.61 -1.14 0.00 0.00 176.83 177.73 1vre n GLY 144 N 1.68 2.91 0.20 -3.77 0.00 -1.23 -4.56 105.19 100.43 1vre n GLY 144 Ca -0.16 -0.45 -0.10 0.00 0.00 0.00 0.00 46.02 45.31 1vre n GLY 144 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1vre h LEU 145 N 1.98 0.62 -6.22 0.99 6.46 -1.48 0.84 115.31 118.50 1vre h LEU 145 Ca 0.00 -0.36 -0.72 0.00 -0.12 0.00 0.00 57.88 56.68 1vre h LEU 145 Cb 0.81 -0.18 -0.34 0.00 -0.73 0.00 0.00 40.66 40.23 1vre h LEU 145 CO 0.03 1.09 0.28 0.00 -0.62 0.00 0.00 178.44 179.21 1vre n GLN 146 N -3.92 4.12 0.00 1.25 10.64 -1.26 -2.21 117.38 125.99 1vre n GLN 146 Ca -0.04 -4.68 0.00 0.00 -1.83 0.00 0.00 57.00 50.45 1vre n GLN 146 Cb 0.65 -2.39 0.00 0.00 -0.86 0.00 0.00 30.24 27.64 1vre n GLN 146 CO 0.00 0.00 0.00 0.45 -1.83 0.00 0.00 177.06 175.68