#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1vre s LEU 2 N 0.00 3.23 0.34 0.99 1.43 -1.26 -4.83 118.68 118.59 1vre s LEU 2 Ca 0.00 -0.19 0.06 0.00 -1.03 0.00 0.00 54.13 52.97 1vre s LEU 2 Cb 0.00 -2.57 -0.03 0.00 0.03 0.00 0.00 46.19 43.62 1vre s LEU 2 CO 0.00 -1.27 0.23 -0.94 0.23 0.00 0.00 176.35 174.60 1vre s SER 3 N -4.50 1.90 0.29 2.29 1.04 -1.26 -4.99 113.70 108.47 1vre s SER 3 Ca 0.59 -1.72 0.23 0.00 0.48 0.00 0.00 55.95 55.54 1vre s SER 3 Cb -0.09 0.54 1.06 0.00 0.10 0.00 0.00 66.02 67.63 1vre s SER 3 CO 0.39 -1.02 1.71 0.00 0.98 0.00 0.00 173.24 175.30 1vre n ALA 4 N -0.68 1.47 -0.11 5.32 0.00 -1.26 -1.34 120.51 123.91 1vre n ALA 4 Ca 0.03 0.13 -0.25 0.00 0.00 0.00 0.00 53.44 53.35 1vre n ALA 4 Cb 0.63 -1.37 -0.11 0.00 0.00 0.00 0.00 19.45 18.60 1vre n ALA 4 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1vre n ALA 5 N -1.79 1.01 0.04 0.00 0.00 -1.26 -4.13 120.51 114.38 1vre n ALA 5 Ca 0.01 -0.80 -0.02 0.00 0.00 0.00 0.00 53.44 52.63 1vre n ALA 5 Cb 0.17 -0.25 0.24 0.00 0.00 0.00 0.00 19.45 19.61 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 -0.82 0.42 -0.87 0.00 4.20 -1.93 -2.55 115.11 113.56 1vre h GLN 6 Ca -0.52 -0.15 0.11 0.00 0.06 0.00 0.00 58.65 58.15 1vre h GLN 6 Cb 1.55 -0.03 -0.08 0.00 0.30 0.00 0.00 27.48 29.22 1vre h GLN 6 CO -0.26 0.63 0.51 0.00 -0.67 0.00 0.00 178.83 179.03 1vre h ARG 7 N 0.38 0.80 -0.05 1.46 3.08 -1.40 0.98 114.38 119.63 1vre h ARG 7 Ca 0.06 -0.05 -0.22 0.00 0.07 0.00 0.00 59.98 59.85 1vre h ARG 7 Cb 0.60 -0.18 0.00 0.00 0.08 0.00 0.00 29.97 30.47 1vre h ARG 7 CO 0.04 0.53 -0.86 1.96 -1.07 0.00 0.00 179.97 180.58 1vre h GLN 8 N 0.83 0.49 -0.17 0.04 1.08 -1.65 -2.21 115.11 113.52 1vre h GLN 8 Ca 0.43 -0.47 -0.16 0.00 -1.45 0.00 0.00 58.65 57.00 1vre h GLN 8 Cb 0.42 0.12 -0.01 0.00 -0.05 0.00 0.00 27.48 27.96 1vre h GLN 8 CO -0.26 1.11 -0.55 0.28 -0.95 0.00 0.00 178.83 178.45 1vre h VAL 9 N 0.31 1.33 -0.39 -0.54 2.07 -0.83 -0.79 116.25 117.41 1vre h VAL 9 Ca -0.06 -1.81 -0.11 0.00 0.82 0.00 0.00 66.70 65.54 1vre h VAL 9 Cb 1.47 1.79 -0.01 0.00 -1.52 0.00 0.00 31.29 33.02 1vre h VAL 9 CO 0.15 0.56 -0.20 0.58 0.02 0.00 0.00 177.57 178.68 1vre h VAL 10 N 0.40 1.27 0.00 2.57 2.07 0.97 -1.05 116.25 122.48 1vre h VAL 10 Ca 0.01 -1.30 0.00 0.00 0.82 0.00 0.00 66.70 66.23 1vre h VAL 10 Cb 1.09 1.19 0.00 0.00 -1.52 0.00 0.00 31.29 32.05 1vre h VAL 10 CO 0.10 0.43 0.00 0.00 0.02 0.00 0.00 177.57 178.13 1vre h ALA 11 N 1.11 1.00 0.00 1.67 0.00 -1.23 -2.80 119.26 119.02 1vre h ALA 11 Ca 0.10 0.00 -0.08 0.00 0.00 0.00 0.00 54.91 54.93 1vre h ALA 11 Cb 0.70 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.48 1vre h ALA 11 CO 0.05 0.00 -1.22 0.45 0.00 0.00 0.00 179.25 178.54 1vre n SER 12 N -2.51 0.84 0.01 0.00 2.88 -0.32 -3.71 113.62 110.82 1vre n SER 12 Ca 0.05 0.35 0.11 0.00 -1.33 0.00 0.00 58.87 58.04 1vre n SER 12 Cb 0.44 0.34 0.02 0.00 -0.75 0.00 0.00 64.21 64.27 1vre n SER 12 CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16 1vre n THR 13 N -2.77 0.07 0.53 2.46 -2.24 -0.45 -4.03 114.28 107.85 1vre n THR 13 Ca -0.05 -0.12 0.11 0.00 -2.27 0.00 0.00 64.05 61.73 1vre n THR 13 Cb 0.69 0.46 0.06 0.00 -2.10 0.00 0.00 70.33 69.44 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 -1.72 0.38 1.56 4.78 -0.00 -1.06 -3.38 117.44 118.00 1vre n TRP 14 Ca 0.03 0.11 0.14 0.00 -0.00 0.00 0.00 57.50 57.79 1vre n TRP 14 Cb 0.38 -0.53 0.64 0.00 -0.00 0.00 0.00 31.31 31.80 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 -2.05 1.12 -0.05 5.87 5.02 -1.24 -2.81 118.16 124.01 1vre n LYS 15 Ca 0.02 -0.46 -0.09 0.00 -2.02 0.00 0.00 58.31 55.77 1vre n LYS 15 Cb 0.45 -1.49 -0.04 0.00 -0.02 0.00 0.00 35.03 33.93 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 -0.54 1.95 0.02 4.39 8.00 -1.25 -4.11 116.55 125.00 1vre n ASP 16 Ca 0.18 0.04 -0.11 0.00 0.71 0.00 0.00 54.79 55.61 1vre n ASP 16 Cb 0.27 -0.23 0.02 0.00 -0.02 0.00 0.00 41.12 41.17 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 -0.19 1.34 -0.87 0.53 2.04 -1.71 -3.09 117.51 115.56 1vre h ILE 17 Ca -0.24 -1.96 -0.48 0.00 1.00 0.00 0.00 64.86 63.18 1vre h ILE 17 Cb 1.27 1.94 -0.27 0.00 -0.74 0.00 0.00 36.82 39.02 1vre h ILE 17 CO -0.10 0.60 0.51 0.00 0.00 0.00 0.00 178.15 179.17 1vre n ALA 18 N -2.53 5.46 -0.87 1.87 0.00 -1.12 -3.70 120.51 119.61 1vre n ALA 18 Ca -0.04 -3.06 0.00 0.00 0.00 0.00 0.00 53.44 50.34 1vre n ALA 18 Cb 0.67 -1.33 0.00 0.00 0.00 0.00 0.00 19.45 18.79 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 -1.10 -3.09 0.06 0.00 0.00 -1.17 -3.06 105.19 96.83 1vre n GLY 19 Ca 0.55 0.21 -0.04 0.00 0.00 0.00 0.00 46.02 46.74 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 -0.84 1.39 0.22 1.61 3.41 -1.26 -4.39 113.62 113.75 1vre n SER 20 Ca 0.00 0.00 0.12 0.00 -0.26 0.00 0.00 58.87 58.73 1vre n SER 20 Cb 0.00 1.06 0.17 0.00 -0.26 0.00 0.00 64.21 65.17 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 -2.88 4.04 2.03 -1.82 -3.47 116.42 114.32 1vre h ASP 21 Ca -0.31 0.00 -0.34 0.00 -0.73 0.00 0.00 57.03 55.65 1vre h ASP 21 Cb 1.64 0.00 -0.04 0.00 -0.83 0.00 0.00 39.33 40.09 1vre h ASP 21 CO 0.02 0.02 -0.41 -3.20 -1.03 0.00 0.00 179.24 174.63 1vre n ASN 22 N -3.10 -4.88 0.00 4.15 5.15 -1.17 -0.25 115.26 115.15 1vre n ASN 22 Ca 0.04 0.16 0.00 0.00 -0.60 0.00 0.00 54.58 54.18 1vre n ASN 22 Cb 0.54 -4.16 0.00 0.00 -0.53 0.00 0.00 39.78 35.62 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 -0.78 0.72 0.17 8.20 0.00 -1.24 -3.83 105.19 108.42 1vre n GLY 23 Ca -0.19 -0.63 -0.13 0.00 0.00 0.00 0.00 46.02 45.06 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 -0.30 -0.54 4.61 0.00 -0.93 -1.93 119.26 120.17 1vre h ALA 24 Ca 0.00 -0.06 -0.21 0.00 0.00 0.00 0.00 54.91 54.65 1vre h ALA 24 Cb 0.14 0.16 -0.12 0.00 0.00 0.00 0.00 17.79 17.97 1vre h ALA 24 CO 0.00 -0.68 0.26 0.41 0.00 0.00 0.00 179.25 179.24 1vre n GLY 25 N -1.24 3.17 0.02 0.00 0.00 -1.26 -3.84 105.19 102.04 1vre n GLY 25 Ca -0.08 -0.66 0.03 0.00 0.00 0.00 0.00 46.02 45.30 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 -0.19 0.19 -0.07 1.61 0.31 -0.74 -4.33 118.33 115.11 1vre n VAL 26 Ca 0.31 -0.29 -0.04 0.00 -0.01 0.00 0.00 64.34 64.31 1vre n VAL 26 Cb 1.11 -0.02 -0.16 0.00 -0.91 0.00 0.00 33.84 33.86 1vre n VAL 26 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1vre n GLY 27 N 2.02 -0.99 0.21 2.92 0.00 -1.14 -3.33 105.19 104.88 1vre n GLY 27 Ca -0.06 -0.39 -0.07 0.00 0.00 0.00 0.00 46.02 45.50 1vre n GLY 27 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1vre h LYS 28 N 0.00 0.46 -0.00 1.61 2.10 -1.69 -1.27 116.57 117.79 1vre h LYS 28 Ca -0.38 -0.26 0.00 0.00 -2.00 0.00 0.00 60.65 58.01 1vre h LYS 28 Cb 1.86 0.02 0.00 0.00 -0.90 0.00 0.00 32.23 33.21 1vre h LYS 28 CO 0.02 0.84 -0.55 -0.85 -2.00 0.00 0.00 179.45 176.91 1vre n GLU 29 N -3.99 0.20 -0.07 0.07 0.28 -1.26 -3.65 120.64 112.23 1vre n GLU 29 Ca -0.02 -0.13 -0.05 0.00 -0.16 0.00 0.00 57.16 56.80 1vre n GLU 29 Cb 0.55 -1.50 -0.02 0.00 1.43 0.00 0.00 31.44 31.90 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 -0.87 0.07 -0.27 0.00 0.04 -1.45 -1.18 116.94 113.28 1vre h PHE 31 Ca 0.00 0.00 0.02 0.00 2.80 0.00 0.00 57.97 60.79 1vre h PHE 31 Cb 0.58 -0.02 -0.02 0.00 2.20 0.00 0.00 35.95 38.68 1vre h PHE 31 CO -0.25 0.03 0.11 1.15 -0.60 0.00 0.00 178.31 178.76 1vre h THR 32 N 0.06 0.97 -0.75 -1.55 2.02 -1.74 0.95 112.91 112.86 1vre h THR 32 Ca 0.22 -0.09 -0.03 0.00 0.77 0.00 0.00 66.41 67.29 1vre h THR 32 Cb 0.81 0.69 -0.03 0.00 -1.74 0.00 0.00 68.15 67.87 1vre h THR 32 CO -0.01 0.05 0.36 0.11 0.37 0.00 0.00 175.52 176.40 1vre h LYS 33 N 0.25 1.07 -0.47 6.66 1.57 -1.36 -0.78 116.57 123.52 1vre h LYS 33 Ca 0.11 -0.16 -0.01 0.00 -1.87 0.00 0.00 60.65 58.72 1vre h LYS 33 Cb 0.06 -0.19 -0.02 0.00 0.08 0.00 0.00 32.23 32.15 1vre h LYS 33 CO -0.10 0.83 0.23 0.35 -0.57 0.00 0.00 179.45 180.20 1vre h PHE 34 N 1.05 0.66 -0.37 -1.35 3.57 -1.10 0.29 116.94 119.69 1vre h PHE 34 Ca 0.26 -0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.71 1vre h PHE 34 Cb 0.11 -0.21 -0.02 0.00 2.79 0.00 0.00 35.95 38.63 1vre h PHE 34 CO 0.01 0.52 0.16 -0.07 -2.23 0.00 0.00 178.31 176.70 1vre h LEU 35 N 0.61 0.50 -0.20 0.59 3.38 -0.45 0.58 115.31 120.32 1vre h LEU 35 Ca 0.16 -0.15 -0.03 0.00 0.09 0.00 0.00 57.88 57.95 1vre h LEU 35 Cb 0.10 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.71 1vre h LEU 35 CO -0.02 0.51 -0.00 0.77 0.09 0.00 0.00 178.44 179.78 1vre h SER 36 N 0.46 0.35 1.00 -0.43 4.64 -0.89 -2.69 113.55 115.98 1vre h SER 36 Ca 0.13 -0.31 -0.02 0.00 -0.47 0.00 0.00 61.79 61.12 1vre h SER 36 Cb 0.15 -0.09 -0.00 0.00 -0.31 0.00 0.00 62.40 62.15 1vre h SER 36 CO -0.01 0.57 -0.07 0.00 -0.87 0.00 0.00 176.83 176.45 1vre h ALA 37 N 0.78 1.02 -3.38 5.18 0.00 -0.29 -3.40 119.26 119.17 1vre h ALA 37 Ca 0.06 -0.07 -0.57 0.00 0.00 0.00 0.00 54.91 54.33 1vre h ALA 37 Cb 0.40 -0.01 -0.38 0.00 0.00 0.00 0.00 17.79 17.80 1vre h ALA 37 CO 0.01 0.09 -0.79 -1.01 0.00 0.00 0.00 179.25 177.55 1vre s HIS 38 N -3.67 1.92 -2.31 0.00 3.76 0.20 -4.97 115.29 110.21 1vre s HIS 38 Ca 0.01 -1.27 0.21 0.00 -0.15 0.00 0.00 55.06 53.86 1vre s HIS 38 Cb 0.09 -1.41 0.59 0.00 1.11 0.00 0.00 32.58 32.97 1vre s HIS 38 CO 0.58 -0.66 1.47 0.72 -0.85 0.00 0.00 174.74 175.99 1vre n HIS 39 N 4.82 0.35 0.02 1.40 -0.00 -1.24 -3.73 115.22 116.83 1vre n HIS 39 Ca -0.12 -0.17 0.07 0.00 -0.00 0.00 0.00 57.72 57.49 1vre n HIS 39 Cb 0.47 0.00 -0.11 0.00 -0.00 0.00 0.00 29.99 30.35 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 0.76 0.38 -0.00 0.41 5.68 -1.26 -4.22 116.55 118.30 1vre n ASP 40 Ca 0.17 0.15 0.06 0.00 -0.50 0.00 0.00 54.79 54.67 1vre n ASP 40 Cb 0.42 1.14 -0.13 0.00 -1.14 0.00 0.00 41.12 41.42 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 -2.54 0.65 -0.10 0.11 2.81 -1.25 -4.23 117.12 112.57 1vre n MET 41 Ca -0.07 -0.06 -0.06 0.00 -1.81 0.00 0.00 57.70 55.70 1vre n MET 41 Cb 0.68 -1.61 0.00 0.00 -0.71 0.00 0.00 33.22 31.58 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 1.75 0.16 0.00 3.04 0.00 -1.73 0.44 119.26 122.93 1vre h ALA 42 Ca -0.12 0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 1vre h ALA 42 Cb 1.29 0.34 -0.00 0.00 0.00 0.00 0.00 17.79 19.42 1vre h ALA 42 CO 0.01 -0.51 -0.04 0.00 0.00 0.00 0.00 179.25 178.71 1vre h ALA 43 N 1.24 1.07 0.01 0.00 0.00 -1.76 -1.24 119.26 118.57 1vre h ALA 43 Ca 0.17 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 55.04 1vre h ALA 43 Cb 0.32 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.11 1vre h ALA 43 CO -0.39 0.06 -0.00 0.28 0.00 0.00 0.00 179.25 179.19 1vre h VAL 44 N 0.00 0.72 -0.94 0.00 2.07 -0.50 -3.33 116.25 114.27 1vre h VAL 44 Ca -0.00 -1.52 0.13 0.00 0.82 0.00 0.00 66.70 66.13 1vre h VAL 44 Cb 0.35 1.35 -0.09 0.00 -1.52 0.00 0.00 31.29 31.39 1vre h VAL 44 CO 0.01 0.24 0.57 -0.26 0.02 0.00 0.00 177.57 178.14 1vre h PHE 45 N -1.00 1.02 0.00 1.57 0.04 -0.37 -3.41 116.94 114.78 1vre h PHE 45 Ca -0.00 0.03 0.00 0.00 2.80 0.00 0.00 57.97 60.80 1vre h PHE 45 Cb 0.41 -0.31 0.00 0.00 2.20 0.00 0.00 35.95 38.24 1vre h PHE 45 CO 0.11 0.35 0.00 0.41 -0.60 0.00 0.00 178.31 178.58 1vre n GLY 46 N -1.33 1.82 3.32 -1.45 0.00 -0.85 -5.05 105.19 101.64 1vre n GLY 46 Ca 0.18 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.93 1vre n GLY 46 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1vre n PHE 47 N -0.05 0.62 -1.17 1.61 3.72 -0.53 -4.96 117.46 116.71 1vre n PHE 47 Ca 0.00 -2.43 0.07 0.00 -0.05 0.00 0.00 57.45 55.04 1vre n PHE 47 Cb 0.00 -0.16 0.10 0.00 -0.94 0.00 0.00 39.48 38.48 1vre n PHE 47 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 1vre n SER 48 N -1.42 1.86 0.00 4.37 2.88 -1.26 -4.08 113.62 115.97 1vre n SER 48 Ca -0.13 -2.78 0.00 0.00 -1.33 0.00 0.00 58.87 54.63 1vre n SER 48 Cb 0.60 -0.35 0.00 0.00 -0.75 0.00 0.00 64.21 63.70 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 0.68 0.21 0.46 0.00 -1.26 -4.85 105.19 99.34 1vre n GLY 49 Ca 0.12 -1.76 0.13 0.00 0.00 0.00 0.00 46.02 44.50 1vre n GLY 49 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1vre h ALA 50 N 0.00 1.00 -0.27 4.61 0.00 -1.86 -3.31 119.26 119.43 1vre h ALA 50 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 54.91 54.56 1vre h ALA 50 Cb 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 17.79 17.67 1vre h ALA 50 CO 0.00 0.00 0.05 0.45 0.00 0.00 0.00 179.25 179.75 1vre n SER 51 N -2.95 5.90 -3.91 0.00 2.88 -1.26 -4.81 113.62 109.46 1vre n SER 51 Ca 0.04 -2.85 -0.28 0.00 -1.33 0.00 0.00 58.87 54.45 1vre n SER 51 Cb 0.47 -1.33 -0.17 0.00 -0.75 0.00 0.00 64.21 62.43 1vre n SER 51 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 1vre s ASP 52 N 1.17 2.55 0.53 -3.46 -1.08 -1.25 -4.92 116.67 110.21 1vre s ASP 52 Ca 0.63 -0.50 0.18 0.00 -0.52 0.00 0.00 52.55 52.35 1vre s ASP 52 Cb 0.35 -0.92 1.34 0.00 -1.46 0.00 0.00 42.92 42.23 1vre s ASP 52 CO -0.11 -0.14 2.14 -0.65 0.52 0.00 0.00 175.17 176.92 1vre h PRO 53 N 8.13 0.00 -0.89 4.34 0.11 -1.94 -1.46 132.00 140.29 1vre h PRO 53 Ca -0.28 0.00 0.21 0.00 0.11 0.00 0.00 66.00 66.03 1vre h PRO 53 Cb 1.12 0.00 -0.06 0.00 0.11 0.00 0.00 31.00 32.17 1vre h PRO 53 CO 0.42 0.00 0.60 0.78 -0.21 0.00 0.00 178.00 179.59 1vre h GLY 54 N 0.00 0.79 0.42 -0.55 0.00 -1.94 0.31 103.07 102.10 1vre h GLY 54 Ca 0.03 -0.17 0.22 0.00 0.00 0.00 0.00 47.33 47.41 1vre h GLY 54 CO -0.00 -0.01 0.57 -2.08 0.00 0.00 0.00 176.54 175.02 1vre h VAL 55 N 0.37 0.64 0.00 4.60 2.07 -1.63 0.78 116.25 123.08 1vre h VAL 55 Ca 0.46 -0.04 -0.03 0.00 0.82 0.00 0.00 66.70 67.91 1vre h VAL 55 Cb 1.21 0.50 -0.00 0.00 -1.52 0.00 0.00 31.29 31.48 1vre h VAL 55 CO -0.16 0.02 -0.16 0.00 0.02 0.00 0.00 177.57 177.29 1vre h ALA 56 N 1.61 0.92 0.11 1.67 0.00 -0.56 -2.42 119.26 120.59 1vre h ALA 56 Ca 0.40 -0.15 -0.16 0.00 0.00 0.00 0.00 54.91 55.00 1vre h ALA 56 Cb 1.37 -0.03 0.01 0.00 0.00 0.00 0.00 17.79 19.15 1vre h ALA 56 CO -0.05 0.20 -0.74 -0.44 0.00 0.00 0.00 179.25 178.22 1vre h ASP 57 N 0.00 0.37 0.54 0.00 3.32 0.53 -2.68 116.42 118.50 1vre h ASP 57 Ca -0.00 -0.94 -0.03 0.00 0.02 0.00 0.00 57.03 56.08 1vre h ASP 57 Cb 0.99 -0.12 0.01 0.00 0.22 0.00 0.00 39.33 40.43 1vre h ASP 57 CO 0.02 1.35 -0.26 -0.07 -1.72 0.00 0.00 179.24 178.56 1vre h LEU 58 N -0.49 -0.62 -0.17 1.55 3.38 -1.32 -1.23 115.31 116.41 1vre h LEU 58 Ca -0.14 -0.02 0.05 0.00 0.09 0.00 0.00 57.88 57.87 1vre h LEU 58 Cb 1.53 0.16 -0.07 0.00 0.09 0.00 0.00 40.66 42.38 1vre h LEU 58 CO 0.11 -0.22 -0.31 1.23 0.09 0.00 0.00 178.44 179.34 1vre h GLY 59 N -1.14 -0.40 0.40 0.83 0.00 -1.59 0.87 103.07 102.04 1vre h GLY 59 Ca -0.07 0.39 0.16 0.00 0.00 0.00 0.00 47.33 47.80 1vre h GLY 59 CO 0.12 -0.22 0.59 0.00 0.00 0.00 0.00 176.54 177.04 1vre h ALA 60 N 0.49 1.84 0.00 3.60 0.00 -1.53 0.77 119.26 124.43 1vre h ALA 60 Ca 0.11 0.03 -0.11 0.00 0.00 0.00 0.00 54.91 54.94 1vre h ALA 60 Cb 0.54 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.20 1vre h ALA 60 CO -0.37 -0.11 -0.52 0.87 0.00 0.00 0.00 179.25 179.11 1vre h LYS 61 N 0.69 0.00 0.21 0.00 1.57 0.44 -3.26 116.57 116.22 1vre h LYS 61 Ca 0.48 0.00 -0.32 0.00 -1.87 0.00 0.00 60.65 58.94 1vre h LYS 61 Cb 0.81 0.00 0.02 0.00 0.08 0.00 0.00 32.23 33.15 1vre h LYS 61 CO -0.24 0.52 -1.50 0.28 -0.57 0.00 0.00 179.45 177.94 1vre h VAL 62 N 0.00 1.15 -0.24 0.50 2.07 0.42 -3.31 116.25 116.84 1vre h VAL 62 Ca -0.01 -2.58 0.06 0.00 0.82 0.00 0.00 66.70 64.99 1vre h VAL 62 Cb 1.30 2.93 -0.07 0.00 -1.52 0.00 0.00 31.29 33.92 1vre h VAL 62 CO 0.07 0.81 -0.33 -0.07 0.02 0.00 0.00 177.57 178.06 1vre h LEU 63 N 0.03 -1.06 -0.84 2.57 -0.00 0.30 0.19 115.31 116.49 1vre h LEU 63 Ca -0.28 0.17 0.20 0.00 -0.00 0.00 0.00 57.88 57.96 1vre h LEU 63 Cb 2.05 0.47 -0.12 0.00 -0.00 0.00 0.00 40.66 43.06 1vre h LEU 63 CO 0.21 -0.35 0.32 0.00 -0.00 0.00 0.00 178.44 178.62 1vre h ALA 64 N 0.52 1.27 -0.17 1.53 0.00 -1.66 -0.21 119.26 120.53 1vre h ALA 64 Ca 0.12 0.16 0.05 0.00 0.00 0.00 0.00 54.91 55.24 1vre h ALA 64 Cb 0.55 0.17 -0.07 0.00 0.00 0.00 0.00 17.79 18.44 1vre h ALA 64 CO -0.43 -0.32 -0.28 0.37 0.00 0.00 0.00 179.25 178.59 1vre h GLN 65 N 0.37 -0.32 -0.71 0.00 -0.00 -1.05 0.29 115.11 113.69 1vre h GLN 65 Ca 0.51 0.02 0.12 0.00 -0.00 0.00 0.00 58.65 59.30 1vre h GLN 65 Cb 0.92 0.07 -0.05 0.00 0.00 0.00 0.00 27.48 28.43 1vre h GLN 65 CO -0.51 -0.21 0.47 0.82 0.00 0.00 0.00 178.83 179.40 1vre h ILE 66 N -0.33 0.87 0.35 2.39 2.04 -0.73 0.44 117.51 122.53 1vre h ILE 66 Ca 0.11 -0.17 -0.02 0.00 1.00 0.00 0.00 64.86 65.79 1vre h ILE 66 Cb 0.50 0.33 0.00 0.00 -0.74 0.00 0.00 36.82 36.92 1vre h ILE 66 CO -0.36 0.09 -0.17 1.23 0.00 0.00 0.00 178.15 178.94 1vre h GLY 67 N 0.49 -0.48 1.73 5.37 0.00 0.15 0.26 103.07 110.59 1vre h GLY 67 Ca 0.34 0.18 0.01 0.00 0.00 0.00 0.00 47.33 47.86 1vre h GLY 67 CO -0.11 -0.18 0.12 -2.08 0.00 0.00 0.00 176.54 174.29 1vre h VAL 68 N -0.81 0.19 0.02 4.60 2.07 0.16 0.50 116.25 122.98 1vre h VAL 68 Ca -0.05 0.00 -0.27 0.00 0.82 0.00 0.00 66.70 67.20 1vre h VAL 68 Cb 0.52 0.89 -0.04 0.00 -1.52 0.00 0.00 31.29 31.14 1vre h VAL 68 CO 0.08 0.00 -1.51 0.00 0.02 0.00 0.00 177.57 176.16 1vre h ALA 69 N 1.80 0.58 0.00 1.67 0.00 -0.48 -3.28 119.26 119.56 1vre h ALA 69 Ca 0.02 -1.27 0.00 0.00 0.00 0.00 0.00 54.91 53.66 1vre h ALA 69 Cb 0.26 0.30 0.00 0.00 0.00 0.00 0.00 17.79 18.35 1vre h ALA 69 CO -0.00 1.43 0.00 0.28 0.00 0.00 0.00 179.25 180.96 1vre h VAL 70 N 0.01 0.00 -0.70 0.00 2.07 0.18 -2.88 116.25 114.93 1vre h VAL 70 Ca -0.21 -0.33 -0.02 0.00 0.82 0.00 0.00 66.70 66.96 1vre h VAL 70 Cb 1.95 1.17 -0.03 0.00 -1.52 0.00 0.00 31.29 32.86 1vre h VAL 70 CO 0.10 0.00 0.34 0.28 0.02 0.00 0.00 177.57 178.32 1vre h SER 71 N 0.00 0.90 -2.88 0.57 0.02 -1.53 -3.34 113.55 107.28 1vre h SER 71 Ca 0.00 -0.09 -0.61 0.00 -0.84 0.00 0.00 61.79 60.25 1vre h SER 71 Cb 0.39 -0.23 -0.40 0.00 0.14 0.00 0.00 62.40 62.30 1vre h SER 71 CO 0.00 0.76 -0.76 -1.00 -1.14 0.00 0.00 176.83 174.69 1vre s HIS 72 N -5.58 2.36 -0.02 3.45 3.76 -1.09 -4.91 115.29 113.26 1vre s HIS 72 Ca -0.11 -2.80 -0.03 0.00 -0.15 0.00 0.00 55.06 51.96 1vre s HIS 72 Cb 0.17 -1.88 -0.28 0.00 1.11 0.00 0.00 32.58 31.70 1vre s HIS 72 CO 0.80 -0.69 0.76 -0.07 -0.85 0.00 0.00 174.74 174.69 1vre h LEU 73 N 5.71 0.40 0.00 0.89 3.38 -1.69 -3.35 115.31 120.65 1vre h LEU 73 Ca 0.17 -0.60 -0.13 0.00 0.09 0.00 0.00 57.88 57.40 1vre h LEU 73 Cb 0.84 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 41.44 1vre h LEU 73 CO 0.55 1.51 -1.35 0.61 0.09 0.00 0.00 178.44 179.85 1vre n GLY 74 N 1.72 -1.25 3.64 0.83 0.00 -1.26 -4.79 105.19 104.08 1vre n GLY 74 Ca -0.19 -0.15 -0.41 0.00 0.00 0.00 0.00 46.02 45.26 1vre n GLY 74 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1vre s ASP 75 N -5.67 6.73 -0.54 1.61 1.01 -1.26 -4.94 116.67 113.61 1vre s ASP 75 Ca -0.03 0.90 0.02 0.00 0.71 0.00 0.00 52.55 54.16 1vre s ASP 75 Cb 0.09 -2.39 0.43 0.00 1.01 0.00 0.00 42.92 42.05 1vre s ASP 75 CO 0.81 -0.45 1.59 -0.62 0.21 0.00 0.00 175.17 176.70 1vre n GLU 76 N 5.86 3.14 -0.17 8.23 1.02 -1.26 -4.41 120.64 133.04 1vre n GLU 76 Ca 0.03 -3.86 0.04 0.00 -0.02 0.00 0.00 57.16 53.35 1vre n GLU 76 Cb 0.48 -2.27 0.06 0.00 -0.02 0.00 0.00 31.44 29.69 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 -0.69 2.37 2.00 0.62 0.00 -1.26 -4.84 105.19 103.39 1vre n GLY 77 Ca 0.50 -0.48 0.00 0.00 0.00 0.00 0.00 46.02 46.04 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 -0.69 0.00 -0.33 1.61 4.81 -1.26 -4.87 118.16 117.43 1vre n LYS 78 Ca 0.07 0.00 0.14 0.00 -0.87 0.00 0.00 58.31 57.65 1vre n LYS 78 Cb 0.57 0.00 0.33 0.00 0.02 0.00 0.00 35.03 35.96 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 0.53 0.00 1.64 4.05 -1.84 1.48 114.93 120.80 1vre h MET 79 Ca 0.00 -0.03 0.00 0.00 -0.28 0.00 0.00 59.70 59.39 1vre h MET 79 Cb 0.00 -0.12 0.00 0.00 -0.80 0.00 0.00 31.60 30.68 1vre h MET 79 CO 0.00 0.35 0.00 0.28 0.23 0.00 0.00 176.91 177.77 1vre n VAL 80 N -4.92 0.01 0.09 -5.77 0.31 -1.26 -2.31 118.33 104.49 1vre n VAL 80 Ca 0.24 0.00 0.04 0.00 -0.01 0.00 0.00 64.34 64.61 1vre n VAL 80 Cb 0.66 -0.57 -0.02 0.00 -0.91 0.00 0.00 33.84 33.00 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 3.68 0.66 0.00 3.52 0.00 0.18 -3.03 119.26 124.26 1vre h ALA 81 Ca 0.00 -0.51 -0.26 0.00 0.00 0.00 0.00 54.91 54.13 1vre h ALA 81 Cb 0.02 0.10 -0.05 0.00 0.00 0.00 0.00 17.79 17.86 1vre h ALA 81 CO 0.00 0.60 -1.98 -1.91 0.00 0.00 0.00 179.25 175.95 1vre n GLU 82 N -2.98 0.43 -0.16 0.00 2.13 -1.16 -4.30 120.64 114.61 1vre n GLU 82 Ca -0.03 0.11 -0.11 0.00 0.66 0.00 0.00 57.16 57.78 1vre n GLU 82 Cb 0.73 -1.32 -0.01 0.00 0.27 0.00 0.00 31.44 31.11 1vre n GLU 82 CO 0.00 0.00 0.00 0.52 -0.41 0.00 0.00 177.13 177.24 1vre h MET 83 N -0.07 0.94 -0.32 5.31 2.86 -1.65 -1.95 114.93 120.05 1vre h MET 83 Ca -0.39 -0.39 0.09 0.00 -2.06 0.00 0.00 59.70 56.95 1vre h MET 83 Cb 1.58 -0.04 -0.01 0.00 0.06 0.00 0.00 31.60 33.19 1vre h MET 83 CO -0.08 1.05 0.26 -0.22 1.06 0.00 0.00 176.91 178.97 1vre h LYS 84 N 0.78 0.00 0.03 1.72 3.64 -1.43 0.24 116.57 121.55 1vre h LYS 84 Ca 0.11 0.00 -0.22 0.00 -1.27 0.00 0.00 60.65 59.27 1vre h LYS 84 Cb 0.74 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.55 1vre h LYS 84 CO 0.06 0.00 -1.00 0.00 -2.27 0.00 0.00 179.45 176.24 1vre h ALA 85 N 1.79 0.37 -0.69 5.00 0.00 -1.56 -3.24 119.26 120.93 1vre h ALA 85 Ca 0.15 -0.83 -0.03 0.00 0.00 0.00 0.00 54.91 54.20 1vre h ALA 85 Cb 0.66 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.33 1vre h ALA 85 CO -0.00 1.07 0.31 0.28 0.00 0.00 0.00 179.25 180.90 1vre h VAL 86 N 0.05 1.24 -0.88 0.00 2.07 0.03 -2.00 116.25 116.75 1vre h VAL 86 Ca -0.05 -0.69 0.12 0.00 0.82 0.00 0.00 66.70 66.90 1vre h VAL 86 Cb 1.71 0.41 -0.08 0.00 -1.52 0.00 0.00 31.29 31.81 1vre h VAL 86 CO 0.15 0.28 0.51 1.23 0.02 0.00 0.00 177.57 179.75 1vre h GLY 87 N 0.97 1.41 0.64 2.17 0.00 -1.43 -0.12 103.07 106.70 1vre h GLY 87 Ca 0.23 -0.33 0.05 0.00 0.00 0.00 0.00 47.33 47.29 1vre h GLY 87 CO -0.03 0.08 0.19 -2.08 0.00 0.00 0.00 176.54 174.71 1vre h VAL 88 N 0.79 0.89 -0.79 4.60 2.07 -1.03 0.15 116.25 122.93 1vre h VAL 88 Ca 0.45 -0.13 0.23 0.00 0.82 0.00 0.00 66.70 68.06 1vre h VAL 88 Cb 0.50 0.47 -0.03 0.00 -1.52 0.00 0.00 31.29 30.70 1vre h VAL 88 CO -0.29 0.07 0.57 0.03 0.02 0.00 0.00 177.57 177.97 1vre h ARG 89 N 0.39 0.00 -0.15 1.57 -0.00 -0.81 1.19 114.38 116.57 1vre h ARG 89 Ca 0.22 0.00 0.00 0.00 -0.50 0.00 0.00 59.98 59.70 1vre h ARG 89 Cb 0.18 0.00 0.00 0.00 0.00 0.00 0.00 29.97 30.15 1vre h ARG 89 CO -0.19 0.00 0.00 0.72 0.00 0.00 0.00 179.97 180.50 1vre n HIS 90 N -4.29 0.20 0.64 3.04 8.25 0.52 -3.00 115.22 120.58 1vre n HIS 90 Ca 0.16 -0.10 0.08 0.00 -0.26 0.00 0.00 57.72 57.60 1vre n HIS 90 Cb 0.86 0.00 -0.10 0.00 1.12 0.00 0.00 29.99 31.87 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 -0.06 1.35 -0.44 -0.41 4.81 0.41 -4.53 118.16 119.29 1vre n LYS 91 Ca 0.06 -0.03 0.00 0.00 -0.87 0.00 0.00 58.31 57.47 1vre n LYS 91 Cb 0.14 -1.30 0.00 0.00 0.02 0.00 0.00 35.03 33.88 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 1.42 0.22 0.00 3.14 0.00 -1.22 -4.87 105.19 103.87 1vre n GLY 92 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.04 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 0.00 -1.39 0.07 1.61 4.01 -1.16 -4.84 117.16 115.46 1vre n TYR 93 Ca 0.00 0.00 -0.09 0.00 -0.16 0.00 0.00 57.90 57.65 1vre n TYR 93 Cb 0.65 0.00 -0.12 0.00 -0.31 0.00 0.00 39.34 39.56 1vre n TYR 93 CO 0.00 0.00 0.00 0.78 -0.46 0.00 0.00 176.86 177.18 1vre h GLY 94 N -0.44 0.08 0.16 2.72 0.00 -1.92 -3.32 103.07 100.34 1vre h GLY 94 Ca 0.00 -0.19 -0.07 0.00 0.00 0.00 0.00 47.33 47.07 1vre h GLY 94 CO 0.00 0.17 -0.33 -0.57 0.00 0.00 0.00 176.54 175.81 1vre h ASN 95 N 0.02 0.11 0.00 0.19 -1.24 -1.90 -3.47 115.58 109.29 1vre h ASN 95 Ca -0.04 -0.94 0.00 0.00 0.71 0.00 0.00 56.30 56.03 1vre h ASN 95 Cb 1.80 -0.04 0.00 0.00 0.73 0.00 0.00 38.32 40.81 1vre h ASN 95 CO 0.15 1.15 0.00 1.17 -1.29 0.00 0.00 177.43 178.60 1vre n LYS 96 N -4.47 0.00 0.00 6.67 0.00 -1.25 -4.89 118.16 114.22 1vre n LYS 96 Ca -0.13 0.00 0.00 0.00 0.00 0.00 0.00 58.31 58.18 1vre n LYS 96 Cb 0.58 -1.43 0.00 0.00 0.00 0.00 0.00 35.03 34.18 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 -1.85 0.00 -1.50 5.64 8.25 -1.26 -4.86 115.22 119.63 1vre n HIS 97 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 1vre n HIS 97 Cb 0.00 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.11 1vre n HIS 97 CO 0.00 0.00 0.00 -0.89 0.64 0.00 0.00 176.34 176.09 1vre n ILE 98 N 0.00 -3.25 -3.59 1.59 5.41 -1.26 -4.92 119.36 113.34 1vre n ILE 98 Ca 0.00 1.58 -0.16 0.00 1.00 0.00 0.00 62.75 65.16 1vre n ILE 98 Cb 0.00 -2.49 -0.07 0.00 -0.71 0.00 0.00 39.64 36.37 1vre n ILE 98 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 176.55 176.01 1vre s LYS 99 N -5.04 0.94 0.00 0.38 3.01 -1.26 -4.95 119.74 112.82 1vre s LYS 99 Ca 0.00 0.15 0.25 0.00 -1.01 0.00 0.00 55.97 55.36 1vre s LYS 99 Cb 0.00 0.44 1.20 0.00 -1.01 0.00 0.00 37.83 38.45 1vre s LYS 99 CO 0.00 -0.28 1.83 0.00 0.51 0.00 0.00 175.35 177.41 1vre n ALA 100 N 1.08 2.22 0.05 5.17 0.00 -1.26 -3.10 120.51 124.67 1vre n ALA 100 Ca -0.20 -0.11 -0.07 0.00 0.00 0.00 0.00 53.44 53.07 1vre n ALA 100 Cb 0.57 -1.41 0.10 0.00 0.00 0.00 0.00 19.45 18.71 1vre n ALA 100 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.50 178.55 1vre h GLU 101 N 0.00 0.38 0.00 0.00 4.11 -2.03 -2.95 114.58 114.09 1vre h GLU 101 Ca 0.00 -0.24 -0.12 0.00 0.07 0.00 0.00 59.36 59.07 1vre h GLU 101 Cb 0.31 0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.57 1vre h GLU 101 CO 0.00 0.84 -0.57 1.88 0.07 0.00 0.00 179.01 181.23 1vre h TYR 102 N 0.29 0.00 -0.14 2.06 0.05 -1.98 -3.35 116.97 113.89 1vre h TYR 102 Ca 0.00 0.00 0.03 0.00 0.05 0.00 0.00 58.73 58.81 1vre h TYR 102 Cb 1.08 0.00 -0.05 0.00 1.01 0.00 0.00 36.73 38.76 1vre h TYR 102 CO 0.03 0.55 -0.43 0.74 -1.05 0.00 0.00 178.16 178.00 1vre h PHE 103 N 0.00 -1.29 0.20 4.88 -1.00 -1.59 0.39 116.94 118.53 1vre h PHE 103 Ca -0.01 0.05 0.01 0.00 2.81 0.00 0.00 57.97 60.83 1vre h PHE 103 Cb 1.42 0.58 -0.04 0.00 3.61 0.00 0.00 35.95 41.52 1vre h PHE 103 CO 0.00 -0.42 -0.52 0.93 -1.61 0.00 0.00 178.31 176.68 1vre h GLU 104 N -0.44 -0.78 -0.25 1.51 3.07 -1.70 0.79 114.58 116.79 1vre h GLU 104 Ca 0.03 0.05 0.04 0.00 -0.50 0.00 0.00 59.36 58.98 1vre h GLU 104 Cb 0.53 0.18 -0.07 0.00 -0.84 0.00 0.00 28.75 28.54 1vre h GLU 104 CO -0.36 -0.52 -0.54 -1.35 -1.40 0.00 0.00 179.01 174.84 1vre h PRO 105 N -0.81 -0.48 -0.15 2.33 0.11 -1.61 0.86 132.00 132.26 1vre h PRO 105 Ca -0.02 0.03 0.04 0.00 0.11 0.00 0.00 66.00 66.17 1vre h PRO 105 Cb 0.78 0.11 -0.01 0.00 0.11 0.00 0.00 31.00 32.00 1vre h PRO 105 CO -0.24 -0.32 0.32 1.25 -0.21 0.00 0.00 178.00 178.79 1vre h LEU 106 N -0.50 0.00 0.15 2.35 7.12 0.09 0.08 115.31 124.60 1vre h LEU 106 Ca 0.05 0.00 -0.20 0.00 0.13 0.00 0.00 57.88 57.86 1vre h LEU 106 Cb 0.64 0.00 0.02 0.00 -0.53 0.00 0.00 40.66 40.80 1vre h LEU 106 CO -0.50 0.00 -0.88 1.23 -0.13 0.00 0.00 178.44 178.15 1vre h GLY 107 N 0.00 0.37 0.90 3.75 0.00 0.31 -3.00 103.07 105.40 1vre h GLY 107 Ca 0.07 -0.95 -0.00 0.00 0.00 0.00 0.00 47.33 46.45 1vre h GLY 107 CO -0.00 0.83 0.00 0.00 0.00 0.00 0.00 176.54 177.37 1vre h ALA 108 N 0.09 0.00 -0.42 3.60 0.00 0.12 -2.06 119.26 120.60 1vre h ALA 108 Ca -0.15 -0.05 0.09 0.00 0.00 0.00 0.00 54.91 54.80 1vre h ALA 108 Cb 1.70 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 19.47 1vre h ALA 108 CO 0.17 -0.45 0.29 0.77 0.00 0.00 0.00 179.25 180.03 1vre h SER 109 N -0.09 0.13 -0.52 0.00 0.02 -1.44 -1.14 113.55 110.51 1vre h SER 109 Ca 0.00 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 60.93 1vre h SER 109 Cb 0.10 -0.03 -0.02 0.00 0.14 0.00 0.00 62.40 62.59 1vre h SER 109 CO -0.00 0.08 0.23 0.25 -1.14 0.00 0.00 176.83 176.25 1vre h LEU 110 N 0.15 0.69 -1.09 5.07 6.46 -1.23 -2.38 115.31 122.99 1vre h LEU 110 Ca 0.20 -0.15 0.14 0.00 -0.12 0.00 0.00 57.88 57.95 1vre h LEU 110 Cb 0.59 -0.18 -0.08 0.00 -0.73 0.00 0.00 40.66 40.26 1vre h LEU 110 CO -0.03 0.65 0.61 -0.07 -0.62 0.00 0.00 178.44 178.98 1vre h LEU 111 N 0.69 0.83 -1.59 2.25 3.38 -0.98 0.27 115.31 120.17 1vre h LEU 111 Ca 0.17 0.05 -0.03 0.00 0.09 0.00 0.00 57.88 58.17 1vre h LEU 111 Cb 0.15 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.78 1vre h LEU 111 CO -0.02 0.41 -0.01 -1.28 0.09 0.00 0.00 178.44 177.64 1vre h SER 112 N 0.87 0.23 0.21 -0.43 0.87 -1.40 -2.49 113.55 111.41 1vre h SER 112 Ca 0.50 -0.03 -0.32 0.00 -1.23 0.00 0.00 61.79 60.71 1vre h SER 112 Cb 0.63 -0.06 0.03 0.00 -0.44 0.00 0.00 62.40 62.56 1vre h SER 112 CO -0.27 0.28 -1.36 0.00 -0.53 0.00 0.00 176.83 174.95 1vre h ALA 113 N 1.75 -0.08 -0.75 6.23 0.00 -0.43 -3.30 119.26 122.69 1vre h ALA 113 Ca 0.06 -0.82 0.17 0.00 0.00 0.00 0.00 54.91 54.32 1vre h ALA 113 Cb 0.18 0.14 -0.11 0.00 0.00 0.00 0.00 17.79 18.00 1vre h ALA 113 CO 0.00 0.70 0.17 0.52 0.00 0.00 0.00 179.25 180.65 1vre h MET 114 N 0.21 0.25 -1.09 0.00 2.07 -0.54 0.49 114.93 116.32 1vre h MET 114 Ca -0.22 -0.01 0.32 0.00 -2.07 0.00 0.00 59.70 57.71 1vre h MET 114 Cb 2.04 -0.06 -0.04 0.00 -1.87 0.00 0.00 31.60 31.67 1vre h MET 114 CO 0.26 0.16 0.82 1.49 1.07 0.00 0.00 176.91 180.71 1vre h GLU 115 N 0.25 0.00 -0.18 1.72 4.81 -1.60 -1.14 114.58 118.45 1vre h GLU 115 Ca 0.43 0.00 0.05 0.00 -0.13 0.00 0.00 59.36 59.71 1vre h GLU 115 Cb 0.75 0.00 -0.07 0.00 0.63 0.00 0.00 28.75 30.06 1vre h GLU 115 CO -0.53 0.00 -0.39 0.45 -0.73 0.00 0.00 179.01 177.81 1vre h HIS 116 N 0.00 -1.11 0.34 0.92 3.86 -0.19 1.28 115.15 120.25 1vre h HIS 116 Ca 0.52 0.05 -0.02 0.00 -1.16 0.00 0.00 60.37 59.76 1vre h HIS 116 Cb 2.16 0.51 0.00 0.00 1.06 0.00 0.00 27.41 31.15 1vre h HIS 116 CO 0.00 -0.45 -0.16 -0.09 0.86 0.00 0.00 177.93 178.09 1vre h ARG 117 N -0.43 -0.43 -2.32 2.45 2.43 -1.36 -3.32 114.38 111.39 1vre h ARG 117 Ca 0.09 0.03 -0.77 0.00 -0.81 0.00 0.00 59.98 58.53 1vre h ARG 117 Cb 0.60 0.10 -0.22 0.00 -0.42 0.00 0.00 29.97 30.02 1vre h ARG 117 CO -0.42 -0.29 1.41 0.44 -1.51 0.00 0.00 179.97 179.60 1vre n ILE 118 N -4.08 5.44 0.29 1.20 -5.35 -1.12 -4.68 119.36 111.06 1vre n ILE 118 Ca -0.06 -5.15 0.18 0.00 -0.27 0.00 0.00 62.75 57.46 1vre n ILE 118 Cb 0.18 -1.67 0.82 0.00 -1.74 0.00 0.00 39.64 37.23 1vre n ILE 118 CO 0.00 0.00 0.00 1.23 -1.76 0.00 0.00 176.55 176.02 1vre h GLY 119 N 4.46 0.00 0.13 3.28 0.00 0.15 0.77 103.07 111.86 1vre h GLY 119 Ca 0.58 0.00 -0.04 0.00 0.00 0.00 0.00 47.33 47.87 1vre h GLY 119 CO 1.28 0.00 -1.92 0.61 0.00 0.00 0.00 176.54 176.51 1vre n GLY 120 N -0.28 -1.05 0.01 4.60 0.00 -1.26 -4.31 105.19 102.89 1vre n GLY 120 Ca -0.00 -0.46 0.11 0.00 0.00 0.00 0.00 46.02 45.66 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 -2.37 0.61 -1.88 1.61 4.01 -0.95 -4.75 118.16 114.46 1vre n LYS 121 Ca -0.06 -0.18 -0.25 0.00 -0.51 0.00 0.00 58.31 57.30 1vre n LYS 121 Cb 0.63 -1.50 -0.08 0.00 -0.51 0.00 0.00 35.03 33.57 1vre n LYS 121 CO 0.00 0.00 0.00 -0.12 -1.11 0.00 0.00 177.40 176.17 1vre n MET 122 N -2.19 1.16 -0.39 1.97 1.56 0.26 -4.86 117.12 114.64 1vre n MET 122 Ca -0.03 -2.22 -0.06 0.00 -0.27 0.00 0.00 57.70 55.12 1vre n MET 122 Cb 0.54 -3.75 0.04 0.00 2.15 0.00 0.00 33.22 32.20 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 15.67 0.02 0.12 6.12 6.94 -1.26 -4.81 115.26 138.06 1vre n ASN 123 Ca 0.44 -1.10 -0.01 0.00 -0.02 0.00 0.00 54.58 53.89 1vre n ASN 123 Cb 0.46 -0.20 0.22 0.00 -2.36 0.00 0.00 39.78 37.90 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 -1.94 1.08 0.00 -2.53 0.00 -2.00 -2.49 119.26 111.38 1vre h ALA 124 Ca -0.09 -0.46 -0.05 0.00 0.00 0.00 0.00 54.91 54.31 1vre h ALA 124 Cb 0.24 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 1vre h ALA 124 CO 0.06 0.64 -0.22 0.00 0.00 0.00 0.00 179.25 179.73 1vre h ALA 125 N 1.39 1.00 -0.02 0.00 0.00 -1.96 0.48 119.26 120.16 1vre h ALA 125 Ca 0.00 -0.20 -0.06 0.00 0.00 0.00 0.00 54.91 54.65 1vre h ALA 125 Cb 0.91 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.67 1vre h ALA 125 CO 0.07 0.28 -0.23 0.00 0.00 0.00 0.00 179.25 179.37 1vre h ALA 126 N 1.78 0.05 -0.03 0.00 0.00 -1.79 0.18 119.26 119.44 1vre h ALA 126 Ca -0.00 -0.44 -0.13 0.00 0.00 0.00 0.00 54.91 54.33 1vre h ALA 126 Cb 0.78 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.56 1vre h ALA 126 CO 0.03 0.07 -0.59 1.57 0.00 0.00 0.00 179.25 180.33 1vre h LYS 127 N -0.45 0.11 -0.00 0.00 2.10 -1.42 -1.87 116.57 115.04 1vre h LYS 127 Ca -0.02 -0.08 -0.04 0.00 -2.00 0.00 0.00 60.65 58.51 1vre h LYS 127 Cb 0.95 0.01 0.00 0.00 -0.90 0.00 0.00 32.23 32.29 1vre h LYS 127 CO 0.05 0.67 -0.15 0.22 -2.00 0.00 0.00 179.45 178.23 1vre h ASP 128 N 0.08 0.14 -0.58 7.07 3.58 -0.92 0.63 116.42 126.41 1vre h ASP 128 Ca -0.01 -0.78 0.03 0.00 0.42 0.00 0.00 57.03 56.69 1vre h ASP 128 Cb 1.07 -0.04 -0.04 0.00 1.72 0.00 0.00 39.33 42.04 1vre h ASP 128 CO 0.08 0.90 0.35 0.00 -2.88 0.00 0.00 179.24 177.69 1vre h ALA 129 N 0.24 0.75 0.00 -0.78 0.00 -0.66 -0.96 119.26 117.86 1vre h ALA 129 Ca -0.02 -0.01 -0.10 0.00 0.00 0.00 0.00 54.91 54.78 1vre h ALA 129 Cb 0.92 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.53 1vre h ALA 129 CO 0.03 0.07 -0.46 -1.49 0.00 0.00 0.00 179.25 177.41 1vre h TRP 130 N 0.69 0.00 0.00 0.00 4.06 -1.40 -1.29 115.95 118.00 1vre h TRP 130 Ca 0.24 0.00 -0.07 0.00 2.06 0.00 0.00 58.89 61.12 1vre h TRP 130 Cb 0.03 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 28.18 1vre h TRP 130 CO -0.06 0.46 -0.33 0.00 -3.56 0.00 0.00 178.44 174.95 1vre h ALA 131 N 1.54 1.18 0.00 1.49 0.00 0.28 -0.15 119.26 123.61 1vre h ALA 131 Ca -0.00 -0.30 -0.10 0.00 0.00 0.00 0.00 54.91 54.51 1vre h ALA 131 Cb 1.10 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.82 1vre h ALA 131 CO 0.06 0.42 -1.53 0.00 0.00 0.00 0.00 179.25 178.20 1vre n ALA 132 N -2.35 2.28 0.08 0.00 0.00 -0.48 -4.24 120.51 115.80 1vre n ALA 132 Ca -0.01 -0.52 -0.22 0.00 0.00 0.00 0.00 53.44 52.69 1vre n ALA 132 Cb 0.42 -0.88 -0.15 0.00 0.00 0.00 0.00 19.45 18.85 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 1.69 -0.11 -1.05 0.00 0.00 -0.93 -3.18 119.26 115.67 1vre h ALA 133 Ca -0.11 -0.75 0.28 0.00 0.00 0.00 0.00 54.91 54.33 1vre h ALA 133 Cb 1.33 0.12 -0.07 0.00 0.00 0.00 0.00 17.79 19.18 1vre h ALA 133 CO 0.02 0.49 0.72 1.88 0.00 0.00 0.00 179.25 182.35 1vre h TYR 134 N -0.17 0.34 0.00 0.00 -1.99 -1.20 1.54 116.97 115.49 1vre h TYR 134 Ca -0.18 0.01 -0.10 0.00 2.00 0.00 0.00 58.73 60.46 1vre h TYR 134 Cb 1.82 -0.10 -0.01 0.00 2.00 0.00 0.00 36.73 40.44 1vre h TYR 134 CO 0.17 0.04 -0.46 0.00 -0.00 0.00 0.00 178.16 177.91 1vre h ALA 135 N 1.54 0.76 0.17 3.88 0.00 -1.73 -2.50 119.26 121.38 1vre h ALA 135 Ca 0.55 -0.42 -0.34 0.00 0.00 0.00 0.00 54.91 54.70 1vre h ALA 135 Cb 1.75 -0.07 0.01 0.00 0.00 0.00 0.00 17.79 19.47 1vre h ALA 135 CO -0.15 0.57 -1.71 0.22 0.00 0.00 0.00 179.25 178.18 1vre h ASP 136 N 0.00 0.56 0.69 0.00 3.58 0.18 -2.20 116.42 119.24 1vre h ASP 136 Ca -0.00 -0.93 -0.03 0.00 0.42 0.00 0.00 57.03 56.49 1vre h ASP 136 Cb 1.24 -0.18 0.01 0.00 1.72 0.00 0.00 39.33 42.11 1vre h ASP 136 CO 0.06 1.76 -0.33 0.40 -2.88 0.00 0.00 179.24 178.25 1vre h ILE 137 N 0.02 0.05 0.00 2.25 5.03 0.31 -2.94 117.51 122.23 1vre h ILE 137 Ca -0.34 -0.31 -0.03 0.00 -0.12 0.00 0.00 64.86 64.06 1vre h ILE 137 Cb 2.03 0.07 -0.00 0.00 -3.03 0.00 0.00 36.82 35.88 1vre h ILE 137 CO 0.15 0.01 -0.12 -1.28 -0.68 0.00 0.00 178.15 176.22 1vre h SER 138 N -1.22 0.00 -0.25 1.72 0.87 -1.63 -2.79 113.55 110.24 1vre h SER 138 Ca -0.10 0.00 0.05 0.00 -1.23 0.00 0.00 61.79 60.51 1vre h SER 138 Cb 0.73 0.00 -0.04 0.00 -0.44 0.00 0.00 62.40 62.64 1vre h SER 138 CO 0.16 0.12 -0.02 1.23 -0.53 0.00 0.00 176.83 177.78 1vre h GLY 139 N 0.80 0.22 2.00 5.77 0.00 -1.22 0.17 103.07 110.81 1vre h GLY 139 Ca -0.00 0.05 0.00 0.00 0.00 0.00 0.00 47.33 47.38 1vre h GLY 139 CO 0.02 -0.07 0.00 0.00 0.00 0.00 0.00 176.54 176.49 1vre h ALA 140 N 1.23 1.00 0.07 3.60 0.00 -1.36 -2.38 119.26 121.41 1vre h ALA 140 Ca 0.12 0.00 -0.28 0.00 0.00 0.00 0.00 54.91 54.75 1vre h ALA 140 Cb 0.17 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 1vre h ALA 140 CO -0.22 0.00 -1.43 1.25 0.00 0.00 0.00 179.25 178.85 1vre h LEU 141 N 0.00 0.23 0.00 0.00 6.46 -0.77 -3.08 115.31 118.15 1vre h LEU 141 Ca 0.00 -0.32 0.00 0.00 -0.12 0.00 0.00 57.88 57.44 1vre h LEU 141 Cb 0.26 -0.07 0.00 0.00 -0.73 0.00 0.00 40.66 40.12 1vre h LEU 141 CO 0.00 1.26 0.00 -0.38 -0.62 0.00 0.00 178.44 178.70 1vre n ILE 142 N -3.36 1.07 0.11 4.05 5.41 -0.16 -2.50 119.36 123.97 1vre n ILE 142 Ca -0.12 0.27 -0.05 0.00 1.00 0.00 0.00 62.75 63.84 1vre n ILE 142 Cb 1.02 -1.05 -0.02 0.00 -0.71 0.00 0.00 39.64 38.87 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 -0.27 0.42 4.38 0.02 -1.59 -3.18 113.55 113.34 1vre h SER 143 Ca 0.00 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.96 1vre h SER 143 Cb 0.20 0.07 0.00 0.00 0.14 0.00 0.00 62.40 62.81 1vre h SER 143 CO 0.00 -0.06 0.00 0.61 -1.14 0.00 0.00 176.83 176.24 1vre n GLY 144 N 0.36 -0.94 3.95 -3.77 0.00 -1.22 -4.75 105.19 98.82 1vre n GLY 144 Ca -0.04 -0.07 -0.28 0.00 0.00 0.00 0.00 46.02 45.63 1vre n GLY 144 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1vre s LEU 145 N -2.74 2.79 -1.40 0.99 0.20 -1.04 -2.45 118.68 115.03 1vre s LEU 145 Ca 0.13 0.13 0.00 0.00 0.69 0.00 0.00 54.13 55.08 1vre s LEU 145 Cb 0.11 -2.33 0.00 0.00 -0.43 0.00 0.00 46.19 43.54 1vre s LEU 145 CO 0.28 -2.34 0.00 0.00 -0.29 0.00 0.00 176.35 174.00 1vre n GLN 146 N -3.40 -1.96 -0.25 1.98 10.64 -1.26 -4.90 117.38 118.22 1vre n GLN 146 Ca 0.14 0.79 0.00 0.00 -1.83 0.00 0.00 57.00 56.11 1vre n GLN 146 Cb 0.60 -5.42 0.00 0.00 -0.86 0.00 0.00 30.24 24.56 1vre n GLN 146 CO 0.00 0.00 0.00 -1.13 -1.83 0.00 0.00 177.06 174.10