#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 3.45 0.48 0.99 2.01 -1.26 -5.04 118.68 119.31 1vre s LEU 2 Ca 0.00 2.16 0.08 0.00 0.01 0.00 0.00 54.13 56.38 1vre s LEU 2 Cb 0.00 -4.57 0.02 0.00 0.01 0.00 0.00 46.19 41.65 1vre s LEU 2 CO 0.00 -1.73 0.53 -0.94 1.01 0.00 0.00 176.35 175.21 1vre s SER 3 N -2.21 5.11 0.59 2.29 1.04 -1.26 -4.81 113.70 114.44 1vre s SER 3 Ca 0.71 -0.80 0.35 0.00 0.48 0.00 0.00 55.95 56.69 1vre s SER 3 Cb -0.24 -0.19 1.83 0.00 0.10 0.00 0.00 66.02 67.52 1vre s SER 3 CO 0.39 -0.93 2.18 0.00 0.98 0.00 0.00 173.24 175.87 1vre h ALA 4 N 0.68 1.14 0.00 5.32 0.00 -1.98 0.03 119.26 124.46 1vre h ALA 4 Ca -0.37 -0.04 -0.11 0.00 0.00 0.00 0.00 54.91 54.40 1vre h ALA 4 Cb 1.28 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 19.05 1vre h ALA 4 CO 0.51 0.05 -0.93 0.00 0.00 0.00 0.00 179.25 178.87 1vre n ALA 5 N -2.17 0.65 0.23 0.00 0.00 -1.26 -3.62 120.51 114.33 1vre n ALA 5 Ca -0.02 -0.52 -0.15 0.00 0.00 0.00 0.00 53.44 52.75 1vre n ALA 5 Cb 0.18 -0.16 -0.08 0.00 0.00 0.00 0.00 19.45 19.39 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 -1.00 -0.59 -0.93 0.00 4.20 -1.92 0.37 115.11 115.23 1vre h GLN 6 Ca -0.16 0.04 0.26 0.00 0.06 0.00 0.00 58.65 58.85 1vre h GLN 6 Cb 0.88 0.14 -0.05 0.00 0.30 0.00 0.00 27.48 28.75 1vre h GLN 6 CO -0.10 -0.40 0.66 -0.09 -0.67 0.00 0.00 178.83 178.23 1vre h ARG 7 N -0.62 0.10 0.20 1.46 2.43 -1.21 0.10 114.38 116.85 1vre h ARG 7 Ca -0.03 -0.01 -0.27 0.00 -0.81 0.00 0.00 59.98 58.86 1vre h ARG 7 Cb 0.52 -0.02 0.03 0.00 -0.42 0.00 0.00 29.97 30.08 1vre h ARG 7 CO 0.02 0.07 -1.20 0.37 -1.51 0.00 0.00 179.97 177.72 1vre h GLN 8 N 0.11 0.43 -0.03 0.20 5.75 -1.28 -3.21 115.11 117.07 1vre h GLN 8 Ca 0.46 -0.74 0.01 0.00 -0.15 0.00 0.00 58.65 58.23 1vre h GLN 8 Cb 1.64 0.28 -0.00 0.00 1.07 0.00 0.00 27.48 30.47 1vre h GLN 8 CO -0.06 1.35 0.04 0.28 -2.65 0.00 0.00 178.83 177.79 1vre h VAL 9 N -0.09 0.49 0.15 2.39 2.07 0.21 -2.21 116.25 119.27 1vre h VAL 9 Ca -0.21 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.30 1vre h VAL 9 Cb 1.94 0.97 0.00 0.00 -1.52 0.00 0.00 31.29 32.68 1vre h VAL 9 CO 0.22 0.00 -0.07 0.58 0.02 0.00 0.00 177.57 178.32 1vre h VAL 10 N 0.00 0.99 0.00 2.57 2.07 -1.21 -2.01 116.25 118.65 1vre h VAL 10 Ca 0.02 -0.76 0.00 0.00 0.82 0.00 0.00 66.70 66.78 1vre h VAL 10 Cb 0.10 1.44 0.00 0.00 -1.52 0.00 0.00 31.29 31.31 1vre h VAL 10 CO -0.00 0.17 0.00 0.00 0.02 0.00 0.00 177.57 177.76 1vre n ALA 11 N -2.39 1.44 0.03 1.67 0.00 -0.88 -1.48 120.51 118.91 1vre n ALA 11 Ca -0.09 0.04 -0.02 0.00 0.00 0.00 0.00 53.44 53.37 1vre n ALA 11 Cb 0.23 -1.25 -0.09 0.00 0.00 0.00 0.00 19.45 18.35 1vre n ALA 11 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1vre h SER 12 N 0.00 0.00 0.01 0.00 0.87 -1.06 -3.30 113.55 110.07 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 0.20 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.16 1vre h SER 12 CO 0.00 0.67 -0.76 0.35 -0.53 0.00 0.00 176.83 176.56 1vre n THR 13 N -2.95 0.00 0.11 2.23 -2.24 -0.79 -4.17 114.28 106.46 1vre n THR 13 Ca -0.10 -0.11 0.11 0.00 -2.27 0.00 0.00 64.05 61.68 1vre n THR 13 Cb 0.88 1.09 -0.02 0.00 -2.10 0.00 0.00 70.33 70.18 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 -0.85 0.85 0.60 4.78 -0.00 -0.55 -3.29 117.44 118.98 1vre n TRP 14 Ca 0.06 0.25 0.13 0.00 -0.00 0.00 0.00 57.50 57.94 1vre n TRP 14 Cb 0.39 -0.90 0.40 0.00 -0.00 0.00 0.00 31.31 31.20 1vre n TRP 14 CO 0.00 0.00 0.00 0.87 -0.00 0.00 0.00 177.69 178.56 1vre h LYS 15 N 0.00 0.00 0.00 5.87 1.57 -1.72 -2.23 116.57 120.06 1vre h LYS 15 Ca 0.00 0.00 -0.20 0.00 -1.87 0.00 0.00 60.65 58.58 1vre h LYS 15 Cb 0.99 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 33.27 1vre h LYS 15 CO 0.00 0.00 -1.47 -0.25 -0.57 0.00 0.00 179.45 177.16 1vre n ASP 16 N -2.30 1.91 -0.17 0.86 8.00 -1.25 -3.41 116.55 120.18 1vre n ASP 16 Ca 0.05 0.41 -0.10 0.00 0.71 0.00 0.00 54.79 55.87 1vre n ASP 16 Cb 0.43 -0.83 0.00 0.00 -0.02 0.00 0.00 41.12 40.70 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 -1.00 1.26 -0.82 0.53 2.04 -1.69 -2.72 117.51 115.11 1vre h ILE 17 Ca -0.30 -1.03 -0.45 0.00 1.00 0.00 0.00 64.86 64.08 1vre h ILE 17 Cb 1.17 0.95 -0.25 0.00 -0.74 0.00 0.00 36.82 37.95 1vre h ILE 17 CO -0.18 0.36 0.58 0.00 0.00 0.00 0.00 178.15 178.91 1vre n ALA 18 N -2.43 5.21 -0.33 1.87 0.00 -0.84 -4.22 120.51 119.78 1vre n ALA 18 Ca 0.01 -2.47 0.00 0.00 0.00 0.00 0.00 53.44 50.98 1vre n ALA 18 Cb 0.30 -1.42 0.00 0.00 0.00 0.00 0.00 19.45 18.33 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 -0.79 -2.93 0.04 0.00 0.00 -1.03 -2.35 105.19 98.13 1vre n GLY 19 Ca 0.50 0.30 -0.01 0.00 0.00 0.00 0.00 46.02 46.80 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 -1.88 1.76 0.19 1.61 3.41 -1.26 -4.41 113.62 113.04 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 1.13 0.18 0.00 -0.26 0.00 0.00 64.21 65.26 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 -1.53 4.04 2.03 -1.81 -3.47 116.42 115.68 1vre h ASP 21 Ca -0.22 -0.00 -0.39 0.00 -0.73 0.00 0.00 57.03 55.68 1vre h ASP 21 Cb 1.38 0.00 -0.13 0.00 -0.83 0.00 0.00 39.33 39.75 1vre h ASP 21 CO 0.01 0.00 -0.39 -3.20 -1.03 0.00 0.00 179.24 174.64 1vre n ASN 22 N -2.95 -5.19 0.00 4.15 5.15 -0.99 -1.78 115.26 113.65 1vre n ASN 22 Ca 0.04 0.38 0.00 0.00 -0.60 0.00 0.00 54.58 54.40 1vre n ASN 22 Cb 0.52 -4.55 0.00 0.00 -0.53 0.00 0.00 39.78 35.22 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 -0.49 1.89 0.11 8.20 0.00 -1.26 -3.90 105.19 109.73 1vre n GLY 23 Ca -0.20 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.62 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 0.10 0.00 4.61 0.00 -1.63 -3.26 119.26 119.08 1vre h ALA 24 Ca 0.00 -0.89 0.00 0.00 0.00 0.00 0.00 54.91 54.02 1vre h ALA 24 Cb 0.00 0.34 0.00 0.00 0.00 0.00 0.00 17.79 18.13 1vre h ALA 24 CO 0.00 0.52 0.00 0.41 0.00 0.00 0.00 179.25 180.18 1vre n GLY 25 N 1.64 -1.06 0.14 0.00 0.00 -1.26 -3.00 105.19 101.65 1vre n GLY 25 Ca -0.21 -0.18 -0.22 0.00 0.00 0.00 0.00 46.02 45.42 1vre n GLY 25 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1vre h VAL 26 N 0.00 0.76 0.03 1.61 2.07 -1.91 -3.29 116.25 115.52 1vre h VAL 26 Ca 0.00 -2.41 -0.00 0.00 0.82 0.00 0.00 66.70 65.11 1vre h VAL 26 Cb 0.09 2.61 0.00 0.00 -1.52 0.00 0.00 31.29 32.47 1vre h VAL 26 CO 0.00 0.88 -0.01 1.23 0.02 0.00 0.00 177.57 179.68 1vre h GLY 27 N 0.86 -0.04 -0.20 2.17 0.00 -1.59 -0.36 103.07 103.90 1vre h GLY 27 Ca -0.39 0.02 0.31 0.00 0.00 0.00 0.00 47.33 47.26 1vre h GLY 27 CO 0.12 -0.02 0.77 0.07 0.00 0.00 0.00 176.54 177.48 1vre h LYS 28 N -0.96 0.10 0.00 4.80 2.10 -1.65 0.87 116.57 121.82 1vre h LYS 28 Ca -0.00 -0.01 -0.04 0.00 -2.00 0.00 0.00 60.65 58.60 1vre h LYS 28 Cb 0.59 -0.02 -0.01 0.00 -0.90 0.00 0.00 32.23 31.89 1vre h LYS 28 CO 0.01 0.07 -1.25 -0.85 -2.00 0.00 0.00 179.45 175.43 1vre n GLU 29 N -4.31 0.62 -0.04 0.07 0.28 -1.23 -3.70 120.64 112.32 1vre n GLU 29 Ca 0.24 0.10 -0.02 0.00 -0.16 0.00 0.00 57.16 57.32 1vre n GLU 29 Cb 1.10 -1.78 -0.01 0.00 1.43 0.00 0.00 31.44 32.18 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 -0.54 0.43 0.24 0.00 -1.00 -0.38 0.18 116.94 115.87 1vre h PHE 31 Ca 0.00 0.02 0.00 0.00 2.81 0.00 0.00 57.97 60.80 1vre h PHE 31 Cb 0.21 -0.12 -0.02 0.00 3.61 0.00 0.00 35.95 39.62 1vre h PHE 31 CO -0.09 0.02 -0.26 1.79 -1.61 0.00 0.00 178.31 178.16 1vre h THR 32 N 0.24 0.44 -0.13 -1.55 1.35 -1.68 0.21 112.91 111.80 1vre h THR 32 Ca 0.60 0.00 0.04 0.00 -0.55 0.00 0.00 66.41 66.50 1vre h THR 32 Cb 1.81 0.44 -0.04 0.00 -1.73 0.00 0.00 68.15 68.63 1vre h THR 32 CO -0.21 0.00 -0.12 0.11 -0.25 0.00 0.00 175.52 175.05 1vre h LYS 33 N -0.54 -0.14 -0.15 4.72 1.79 -1.07 0.13 116.57 121.31 1vre h LYS 33 Ca -0.00 0.01 0.04 0.00 -2.18 0.00 0.00 60.65 58.52 1vre h LYS 33 Cb 0.51 0.03 -0.05 0.00 -1.58 0.00 0.00 32.23 31.14 1vre h LYS 33 CO -0.07 -0.09 -0.14 0.35 -1.08 0.00 0.00 179.45 178.41 1vre h PHE 34 N -0.15 -0.36 -0.57 -1.35 3.57 -1.11 0.65 116.94 117.61 1vre h PHE 34 Ca 0.09 0.02 0.08 0.00 3.53 0.00 0.00 57.97 61.69 1vre h PHE 34 Cb 0.27 0.18 -0.06 0.00 2.79 0.00 0.00 35.95 39.13 1vre h PHE 34 CO -0.24 -0.21 0.23 -0.07 -2.23 0.00 0.00 178.31 175.78 1vre h LEU 35 N -0.17 0.25 0.57 0.59 3.38 -0.06 1.05 115.31 120.93 1vre h LEU 35 Ca 0.10 0.06 -0.03 0.00 0.09 0.00 0.00 57.88 58.11 1vre h LEU 35 Cb 0.31 0.03 0.01 0.00 0.09 0.00 0.00 40.66 41.10 1vre h LEU 35 CO -0.25 0.16 -0.27 -1.28 0.09 0.00 0.00 178.44 176.89 1vre h SER 36 N 0.42 -0.65 -0.04 -0.43 0.87 -0.08 -2.93 113.55 110.71 1vre h SER 36 Ca 0.28 -0.01 0.01 0.00 -1.23 0.00 0.00 61.79 60.84 1vre h SER 36 Cb 0.30 0.17 -0.00 0.00 -0.44 0.00 0.00 62.40 62.43 1vre h SER 36 CO -0.26 -0.25 0.09 0.00 -0.53 0.00 0.00 176.83 175.88 1vre h ALA 37 N -1.08 1.34 -3.37 6.23 0.00 0.44 -3.35 119.26 119.46 1vre h ALA 37 Ca -0.08 -0.00 -0.56 0.00 0.00 0.00 0.00 54.91 54.27 1vre h ALA 37 Cb 0.62 0.00 -0.39 0.00 0.00 0.00 0.00 17.79 18.02 1vre h ALA 37 CO 0.13 -0.11 -0.77 -1.01 0.00 0.00 0.00 179.25 177.49 1vre s HIS 38 N -4.36 1.64 -0.81 0.00 3.76 0.36 -4.96 115.29 110.92 1vre s HIS 38 Ca -0.05 -1.35 0.25 0.00 -0.15 0.00 0.00 55.06 53.76 1vre s HIS 38 Cb 0.13 -1.37 0.45 0.00 1.11 0.00 0.00 32.58 32.90 1vre s HIS 38 CO 0.45 -0.72 1.38 0.72 -0.85 0.00 0.00 174.74 175.72 1vre n HIS 39 N 4.88 0.28 0.39 1.40 -0.00 -1.21 -3.41 115.22 117.54 1vre n HIS 39 Ca -0.08 0.08 0.14 0.00 -0.00 0.00 0.00 57.72 57.85 1vre n HIS 39 Cb 0.45 -0.46 0.48 0.00 -0.00 0.00 0.00 29.99 30.46 1vre n HIS 39 CO 0.00 0.00 0.00 0.38 -0.00 0.00 0.00 176.34 176.72 1vre h ASP 40 N 0.00 0.00 0.00 0.41 2.03 -1.93 -3.11 116.42 113.82 1vre h ASP 40 Ca 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.30 1vre h ASP 40 Cb 0.63 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.13 1vre h ASP 40 CO 0.00 0.00 -1.17 0.23 -1.03 0.00 0.00 179.24 177.27 1vre n MET 41 N -2.60 1.42 -0.17 4.15 2.81 -1.24 -4.41 117.12 117.09 1vre n MET 41 Ca 0.03 -0.07 -0.03 0.00 -1.81 0.00 0.00 57.70 55.81 1vre n MET 41 Cb 0.34 -1.19 0.03 0.00 -0.71 0.00 0.00 33.22 31.68 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 1.29 0.21 0.00 3.04 0.00 -1.56 0.44 119.26 122.68 1vre h ALA 42 Ca 0.00 0.19 -0.09 0.00 0.00 0.00 0.00 54.91 55.00 1vre h ALA 42 Cb 0.44 0.51 -0.01 0.00 0.00 0.00 0.00 17.79 18.73 1vre h ALA 42 CO 0.00 -0.52 -0.45 0.00 0.00 0.00 0.00 179.25 178.28 1vre h ALA 43 N 1.33 1.07 -0.13 0.00 0.00 -1.74 -1.23 119.26 118.56 1vre h ALA 43 Ca 0.24 -0.41 -0.07 0.00 0.00 0.00 0.00 54.91 54.67 1vre h ALA 43 Cb 0.45 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 1vre h ALA 43 CO -0.57 0.56 -0.23 0.28 0.00 0.00 0.00 179.25 179.29 1vre h VAL 44 N 0.00 1.23 0.00 0.00 2.07 -0.50 -2.46 116.25 116.59 1vre h VAL 44 Ca -0.00 -1.06 -0.13 0.00 0.82 0.00 0.00 66.70 66.33 1vre h VAL 44 Cb 0.90 1.39 -0.02 0.00 -1.52 0.00 0.00 31.29 32.04 1vre h VAL 44 CO 0.06 0.32 -0.77 -0.26 0.02 0.00 0.00 177.57 176.94 1vre h PHE 45 N 0.21 0.00 0.00 1.57 0.04 -0.36 -3.37 116.94 115.03 1vre h PHE 45 Ca 0.04 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.81 1vre h PHE 45 Cb 0.54 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.69 1vre h PHE 45 CO 0.01 0.57 0.00 0.41 -0.60 0.00 0.00 178.31 178.70 1vre n GLY 46 N 1.28 1.80 3.52 -1.45 0.00 -0.93 -4.97 105.19 104.44 1vre n GLY 46 Ca -0.01 0.00 -0.24 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 2.22 -0.25 1.61 0.08 -0.50 -4.96 117.98 114.18 1vre s PHE 47 Ca 0.00 -0.72 0.16 0.00 0.12 0.00 0.00 56.93 56.49 1vre s PHE 47 Cb 0.00 -1.43 0.54 0.00 -0.57 0.00 0.00 43.02 41.56 1vre s PHE 47 CO 0.00 0.32 1.44 0.45 -0.10 0.00 0.00 175.22 177.33 1vre n SER 48 N -0.78 4.00 0.00 1.36 2.88 -1.26 -3.65 113.62 116.17 1vre n SER 48 Ca -0.04 -2.93 0.00 0.00 -1.33 0.00 0.00 58.87 54.57 1vre n SER 48 Cb 0.65 -0.54 0.00 0.00 -0.75 0.00 0.00 64.21 63.58 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 -0.31 0.07 2.34 0.46 0.00 -1.26 -4.91 105.19 101.57 1vre n GLY 49 Ca 0.21 -1.51 -0.34 0.00 0.00 0.00 0.00 46.02 44.38 1vre n GLY 49 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1vre n ALA 50 N -0.48 6.27 -2.04 4.61 0.00 -1.26 -4.20 120.51 123.41 1vre n ALA 50 Ca 0.00 -3.39 0.01 0.00 0.00 0.00 0.00 53.44 50.06 1vre n ALA 50 Cb 0.00 -1.77 0.00 0.00 0.00 0.00 0.00 19.45 17.69 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 -0.79 0.13 -4.66 0.00 2.88 -1.26 -4.98 113.62 104.94 1vre n SER 51 Ca 0.60 -2.02 -0.35 0.00 -1.33 0.00 0.00 58.87 55.78 1vre n SER 51 Cb 0.63 -0.21 -0.10 0.00 -0.75 0.00 0.00 64.21 63.77 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 -1.13 5.18 0.58 -3.46 -1.08 -1.26 -4.98 116.67 110.52 1vre s ASP 52 Ca 0.04 0.11 0.30 0.00 -0.52 0.00 0.00 52.55 52.48 1vre s ASP 52 Cb 0.04 -1.49 1.78 0.00 -1.46 0.00 0.00 42.92 41.80 1vre s ASP 52 CO -0.02 0.36 2.22 -0.65 0.52 0.00 0.00 175.17 177.60 1vre h PRO 53 N 5.31 0.00 -1.00 4.34 0.11 -1.97 -2.24 132.00 136.55 1vre h PRO 53 Ca -0.49 0.00 0.19 0.00 0.11 0.00 0.00 66.00 65.81 1vre h PRO 53 Cb 1.19 0.00 -0.10 0.00 0.11 0.00 0.00 31.00 32.20 1vre h PRO 53 CO 0.55 0.03 0.61 0.78 -0.21 0.00 0.00 178.00 179.76 1vre h GLY 54 N 0.21 1.67 0.18 -0.55 0.00 -1.93 0.37 103.07 103.02 1vre h GLY 54 Ca -0.00 -0.34 0.21 0.00 0.00 0.00 0.00 47.33 47.20 1vre h GLY 54 CO 0.00 -0.06 0.62 -2.08 0.00 0.00 0.00 176.54 175.02 1vre h VAL 55 N 0.72 0.66 0.00 4.60 2.07 -1.78 1.44 116.25 123.96 1vre h VAL 55 Ca 0.57 -0.17 0.00 0.00 0.82 0.00 0.00 66.70 67.92 1vre h VAL 55 Cb 0.95 0.13 0.00 0.00 -1.52 0.00 0.00 31.29 30.85 1vre h VAL 55 CO -0.36 0.09 0.00 0.00 0.02 0.00 0.00 177.57 177.32 1vre n ALA 56 N -2.47 1.89 -0.07 1.67 0.00 0.13 -2.33 120.51 119.33 1vre n ALA 56 Ca 0.21 -0.06 -0.08 0.00 0.00 0.00 0.00 53.44 53.51 1vre n ALA 56 Cb 0.70 -1.32 -0.04 0.00 0.00 0.00 0.00 19.45 18.79 1vre n ALA 56 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 1vre h ASP 57 N 0.00 0.00 0.76 0.00 3.32 0.20 -3.09 116.42 117.61 1vre h ASP 57 Ca 0.00 -0.20 -0.04 0.00 0.02 0.00 0.00 57.03 56.82 1vre h ASP 57 Cb 0.34 0.00 0.01 0.00 0.22 0.00 0.00 39.33 39.90 1vre h ASP 57 CO 0.00 0.87 -0.37 -0.07 -1.72 0.00 0.00 179.24 177.95 1vre h LEU 58 N -1.00 -0.87 -1.27 1.55 3.38 -1.52 0.61 115.31 116.20 1vre h LEU 58 Ca -0.07 0.03 0.28 0.00 0.09 0.00 0.00 57.88 58.21 1vre h LEU 58 Cb 0.60 0.22 -0.11 0.00 0.09 0.00 0.00 40.66 41.46 1vre h LEU 58 CO -0.04 -0.55 0.66 1.23 0.09 0.00 0.00 178.44 179.83 1vre h GLY 59 N -1.17 1.43 0.52 0.83 0.00 -1.69 0.95 103.07 103.95 1vre h GLY 59 Ca -0.10 -0.22 -0.03 0.00 0.00 0.00 0.00 47.33 46.98 1vre h GLY 59 CO 0.17 -0.21 -0.25 0.00 0.00 0.00 0.00 176.54 176.26 1vre h ALA 60 N 1.66 -0.70 -0.43 3.60 0.00 -1.41 -0.09 119.26 121.89 1vre h ALA 60 Ca 0.64 -0.16 0.04 0.00 0.00 0.00 0.00 54.91 55.43 1vre h ALA 60 Cb 1.56 0.27 -0.04 0.00 0.00 0.00 0.00 17.79 19.58 1vre h ALA 60 CO -0.37 -0.65 0.20 0.87 0.00 0.00 0.00 179.25 179.31 1vre h LYS 61 N -1.18 0.40 0.01 0.00 1.57 0.05 -2.42 116.57 115.00 1vre h LYS 61 Ca -0.07 -0.02 0.02 0.00 -1.87 0.00 0.00 60.65 58.71 1vre h LYS 61 Cb 0.54 -0.09 -0.03 0.00 0.08 0.00 0.00 32.23 32.73 1vre h LYS 61 CO 0.12 0.26 -0.14 0.28 -0.57 0.00 0.00 179.45 179.40 1vre h VAL 62 N 0.41 0.66 -0.79 0.50 2.07 0.85 -2.06 116.25 117.89 1vre h VAL 62 Ca 0.19 0.00 0.19 0.00 0.82 0.00 0.00 66.70 67.89 1vre h VAL 62 Cb 0.11 0.66 -0.13 0.00 -1.52 0.00 0.00 31.29 30.41 1vre h VAL 62 CO -0.14 0.00 0.13 -0.07 0.02 0.00 0.00 177.57 177.51 1vre h LEU 63 N -0.24 -0.12 -0.52 2.57 -0.00 -0.55 0.12 115.31 116.56 1vre h LEU 63 Ca 0.04 0.18 0.10 0.00 -0.00 0.00 0.00 57.88 58.21 1vre h LEU 63 Cb 0.30 0.27 -0.09 0.00 -0.00 0.00 0.00 40.66 41.13 1vre h LEU 63 CO -0.13 -0.12 -0.09 0.00 -0.00 0.00 0.00 178.44 178.10 1vre h ALA 64 N 1.70 0.39 -0.55 1.53 0.00 -0.91 0.16 119.26 121.57 1vre h ALA 64 Ca 0.46 0.19 0.11 0.00 0.00 0.00 0.00 54.91 55.67 1vre h ALA 64 Cb 0.84 0.35 -0.10 0.00 0.00 0.00 0.00 17.79 18.89 1vre h ALA 64 CO -0.61 -0.43 -0.03 0.37 0.00 0.00 0.00 179.25 178.55 1vre h GLN 65 N 0.03 0.08 -0.95 0.00 5.75 -0.65 0.36 115.11 119.74 1vre h GLN 65 Ca 0.25 -0.01 0.07 0.00 -0.15 0.00 0.00 58.65 58.82 1vre h GLN 65 Cb 0.39 -0.02 -0.06 0.00 1.07 0.00 0.00 27.48 28.86 1vre h GLN 65 CO -0.50 0.06 0.62 0.82 -2.65 0.00 0.00 178.83 177.17 1vre h ILE 66 N 0.09 1.06 0.28 2.39 2.04 -0.82 0.96 117.51 123.51 1vre h ILE 66 Ca 0.28 -0.37 -0.01 0.00 1.00 0.00 0.00 64.86 65.76 1vre h ILE 66 Cb 0.44 -0.11 0.00 0.00 -0.74 0.00 0.00 36.82 36.41 1vre h ILE 66 CO -0.49 0.20 -0.13 1.23 0.00 0.00 0.00 178.15 178.95 1vre h GLY 67 N 1.08 -0.39 1.85 5.37 0.00 0.71 0.55 103.07 112.23 1vre h GLY 67 Ca 0.41 0.14 0.02 0.00 0.00 0.00 0.00 47.33 47.91 1vre h GLY 67 CO -0.16 -0.14 0.06 -2.08 0.00 0.00 0.00 176.54 174.21 1vre h VAL 68 N -0.53 0.64 0.00 4.60 2.07 -0.28 -0.49 116.25 122.26 1vre h VAL 68 Ca -0.04 0.00 -0.21 0.00 0.82 0.00 0.00 66.70 67.27 1vre h VAL 68 Cb 0.39 0.95 -0.03 0.00 -1.52 0.00 0.00 31.29 31.08 1vre h VAL 68 CO 0.06 0.00 -1.20 0.00 0.02 0.00 0.00 177.57 176.45 1vre h ALA 69 N 1.94 0.58 0.00 1.67 0.00 -0.15 -3.25 119.26 120.05 1vre h ALA 69 Ca 0.03 -1.00 0.00 0.00 0.00 0.00 0.00 54.91 53.94 1vre h ALA 69 Cb 0.15 0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.06 1vre h ALA 69 CO -0.00 1.21 0.00 0.28 0.00 0.00 0.00 179.25 180.74 1vre h VAL 70 N 0.00 0.00 -0.48 0.00 2.07 0.18 -1.46 116.25 116.57 1vre h VAL 70 Ca -0.12 -0.04 -0.20 0.00 0.82 0.00 0.00 66.70 67.17 1vre h VAL 70 Cb 1.76 0.65 -0.12 0.00 -1.52 0.00 0.00 31.29 32.06 1vre h VAL 70 CO 0.09 0.00 0.25 -0.24 0.02 0.00 0.00 177.57 177.69 1vre n SER 71 N -2.41 3.47 0.00 0.57 2.88 -1.20 -4.60 113.62 112.33 1vre n SER 71 Ca -0.01 -2.77 0.00 0.00 -1.33 0.00 0.00 58.87 54.76 1vre n SER 71 Cb 0.07 -0.66 0.00 0.00 -0.75 0.00 0.00 64.21 62.87 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 -0.17 0.00 0.00 0.66 8.25 -0.56 -5.00 115.22 118.40 1vre n HIS 72 Ca 0.27 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.73 1vre n HIS 72 Cb 1.03 0.00 0.00 0.00 1.12 0.00 0.00 29.99 32.14 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 -0.30 0.00 0.24 2.41 4.77 -1.18 -3.44 117.00 119.50 1vre n LEU 73 Ca 0.00 0.00 0.10 0.00 -0.03 0.00 0.00 56.01 56.08 1vre n LEU 73 Cb 0.00 0.00 0.62 0.00 -2.33 0.00 0.00 43.42 41.71 1vre n LEU 73 CO 0.00 0.00 0.92 1.23 -1.33 0.00 0.00 177.39 178.21 1vre h GLY 74 N 0.00 0.00 -4.41 -0.72 0.00 -1.93 -2.87 103.07 93.14 1vre h GLY 74 Ca 0.00 0.00 -0.49 0.00 0.00 0.00 0.00 47.33 46.84 1vre h GLY 74 CO 0.00 0.00 0.43 1.34 0.00 0.00 0.00 176.54 178.31 1vre n ASP 75 N -3.78 6.54 0.32 0.19 -0.08 -1.22 -4.60 116.55 113.91 1vre n ASP 75 Ca -0.02 -3.23 0.19 0.00 -1.51 0.00 0.00 54.79 50.22 1vre n ASP 75 Cb 0.28 -1.20 0.99 0.00 2.34 0.00 0.00 41.12 43.53 1vre n ASP 75 CO 0.00 0.00 0.00 1.05 0.12 0.00 0.00 177.20 178.37 1vre h GLU 76 N 2.78 0.00 -0.33 -0.67 9.09 -1.84 -0.98 114.58 122.63 1vre h GLU 76 Ca 0.39 0.00 0.10 0.00 0.05 0.00 0.00 59.36 59.90 1vre h GLU 76 Cb 0.72 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 27.81 1vre h GLU 76 CO 0.90 0.00 0.48 0.78 0.05 0.00 0.00 179.01 181.21 1vre h GLY 77 N 0.00 0.00 0.00 1.06 0.00 -1.90 -2.18 103.07 100.05 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 -0.82 1.17 0.00 0.00 0.00 176.54 176.89 1vre n LYS 78 N -3.44 0.00 -0.14 4.80 4.81 -0.42 -4.57 118.16 119.20 1vre n LYS 78 Ca 0.06 0.00 0.28 0.00 -0.87 0.00 0.00 58.31 57.78 1vre n LYS 78 Cb 0.62 -0.60 0.70 0.00 0.02 0.00 0.00 35.03 35.78 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 0.00 0.00 1.64 4.05 -1.42 1.45 114.93 120.65 1vre h MET 79 Ca 0.00 0.00 -0.04 0.00 -0.28 0.00 0.00 59.70 59.38 1vre h MET 79 Cb 0.82 0.00 -0.01 0.00 -0.80 0.00 0.00 31.60 31.61 1vre h MET 79 CO 0.00 0.00 -0.28 0.28 0.23 0.00 0.00 176.91 177.14 1vre h VAL 80 N 0.00 0.26 0.00 -5.77 2.07 -1.64 -3.07 116.25 108.10 1vre h VAL 80 Ca 0.41 -1.38 -0.11 0.00 0.82 0.00 0.00 66.70 66.44 1vre h VAL 80 Cb 1.88 2.08 -0.02 0.00 -1.52 0.00 0.00 31.29 33.72 1vre h VAL 80 CO -0.00 0.15 -0.51 0.00 0.02 0.00 0.00 177.57 177.23 1vre h ALA 81 N 1.84 1.03 0.00 1.67 0.00 0.18 -1.69 119.26 122.29 1vre h ALA 81 Ca -0.01 -0.46 -0.03 0.00 0.00 0.00 0.00 54.91 54.41 1vre h ALA 81 Cb 1.13 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.83 1vre h ALA 81 CO 0.02 0.64 -0.16 0.93 0.00 0.00 0.00 179.25 180.67 1vre h GLU 82 N 0.00 0.00 -1.00 0.00 3.07 -1.51 -3.30 114.58 111.85 1vre h GLU 82 Ca -0.01 0.00 0.08 0.00 -0.50 0.00 0.00 59.36 58.94 1vre h GLU 82 Cb 0.98 0.00 -0.07 0.00 -0.84 0.00 0.00 28.75 28.81 1vre h GLU 82 CO 0.07 0.77 0.64 0.52 -1.40 0.00 0.00 179.01 179.61 1vre h MET 83 N -1.00 1.07 -0.69 2.33 2.86 -1.59 0.34 114.93 118.25 1vre h MET 83 Ca -0.04 -0.06 0.20 0.00 -2.06 0.00 0.00 59.70 57.74 1vre h MET 83 Cb 0.82 -0.24 -0.03 0.00 0.06 0.00 0.00 31.60 32.21 1vre h MET 83 CO -0.02 0.71 0.55 0.87 1.06 0.00 0.00 176.91 180.08 1vre h LYS 84 N 1.10 0.00 0.08 1.72 1.79 -1.19 0.67 116.57 120.74 1vre h LYS 84 Ca 0.45 0.00 -0.25 0.00 -2.18 0.00 0.00 60.65 58.67 1vre h LYS 84 Cb 0.28 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 30.92 1vre h LYS 84 CO -0.20 0.00 -1.16 0.00 -1.08 0.00 0.00 179.45 177.01 1vre h ALA 85 N 1.55 0.19 -0.15 3.86 0.00 -0.41 -3.14 119.26 121.16 1vre h ALA 85 Ca 0.33 -0.90 -0.12 0.00 0.00 0.00 0.00 54.91 54.22 1vre h ALA 85 Cb 1.43 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 19.16 1vre h ALA 85 CO -0.00 1.08 -0.44 0.28 0.00 0.00 0.00 179.25 180.17 1vre h VAL 86 N 0.05 1.32 -0.64 0.00 2.07 0.68 -2.86 116.25 116.85 1vre h VAL 86 Ca -0.09 -1.61 -0.08 0.00 0.82 0.00 0.00 66.70 65.74 1vre h VAL 86 Cb 1.90 1.68 -0.03 0.00 -1.52 0.00 0.00 31.29 33.32 1vre h VAL 86 CO 0.18 0.49 0.08 1.23 0.02 0.00 0.00 177.57 179.56 1vre h GLY 87 N 1.19 1.16 1.76 2.17 0.00 -1.07 -1.83 103.07 106.45 1vre h GLY 87 Ca 0.02 -0.79 0.03 0.00 0.00 0.00 0.00 47.33 46.59 1vre h GLY 87 CO 0.07 0.73 0.09 -2.08 0.00 0.00 0.00 176.54 175.35 1vre h VAL 88 N 1.00 0.76 0.00 4.60 2.07 -1.46 0.16 116.25 123.38 1vre h VAL 88 Ca 0.19 0.00 -0.09 0.00 0.82 0.00 0.00 66.70 67.63 1vre h VAL 88 Cb 0.47 0.93 -0.01 0.00 -1.52 0.00 0.00 31.29 31.16 1vre h VAL 88 CO 0.02 0.00 -0.41 0.03 0.02 0.00 0.00 177.57 177.23 1vre h ARG 89 N 0.00 0.00 -0.74 1.57 -0.00 -1.27 -2.89 114.38 111.05 1vre h ARG 89 Ca 0.05 0.00 0.00 0.00 -0.50 0.00 0.00 59.98 59.53 1vre h ARG 89 Cb 0.23 0.00 0.00 0.00 0.00 0.00 0.00 29.97 30.20 1vre h ARG 89 CO -0.00 0.41 0.00 0.72 0.00 0.00 0.00 179.97 181.10 1vre n HIS 90 N -3.47 0.77 -0.03 3.04 8.25 0.56 -4.05 115.22 120.29 1vre n HIS 90 Ca 0.00 -0.28 -0.01 0.00 -0.26 0.00 0.00 57.72 57.18 1vre n HIS 90 Cb 0.56 -0.22 -0.00 0.00 1.12 0.00 0.00 29.99 31.44 1vre n HIS 90 CO 0.00 0.00 0.00 -0.22 0.64 0.00 0.00 176.34 176.76 1vre h LYS 91 N 1.65 -0.04 -1.03 -0.41 3.64 -1.48 -3.40 116.57 115.49 1vre h LYS 91 Ca 0.00 0.00 -0.36 0.00 -1.27 0.00 0.00 60.65 59.02 1vre h LYS 91 Cb 0.98 0.01 -0.30 0.00 -0.41 0.00 0.00 32.23 32.51 1vre h LYS 91 CO 0.16 -0.03 -0.88 0.41 -2.27 0.00 0.00 179.45 176.85 1vre n GLY 92 N 1.68 2.14 0.00 5.01 0.00 -1.26 -4.62 105.19 108.14 1vre n GLY 92 Ca -0.01 -0.94 0.00 0.00 0.00 0.00 0.00 46.02 45.07 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 0.17 0.00 0.00 1.61 4.02 -1.26 -4.70 117.16 117.00 1vre n TYR 93 Ca 0.14 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 58.03 1vre n TYR 93 Cb 0.71 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 40.03 1vre n TYR 93 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1vre n GLY 94 N 5.00 -2.97 0.06 2.72 0.00 -1.26 -2.59 105.19 106.15 1vre n GLY 94 Ca 0.00 0.44 -0.13 0.00 0.00 0.00 0.00 46.02 46.33 1vre n GLY 94 CO 0.00 0.00 0.00 -0.57 0.00 0.00 0.00 173.32 172.75 1vre h ASN 95 N 0.00 -0.03 0.00 1.61 -1.24 -1.87 -3.46 115.58 110.60 1vre h ASN 95 Ca 0.00 -0.33 0.00 0.00 0.71 0.00 0.00 56.30 56.68 1vre h ASN 95 Cb 0.00 0.01 0.00 0.00 0.73 0.00 0.00 38.32 39.06 1vre h ASN 95 CO 0.00 0.31 0.00 2.29 -1.29 0.00 0.00 177.43 178.74 1vre n LYS 96 N -4.94 0.00 -1.80 6.67 -0.00 -1.07 -4.81 118.16 112.21 1vre n LYS 96 Ca -0.08 0.00 -0.40 0.00 -0.00 0.00 0.00 58.31 57.83 1vre n LYS 96 Cb 0.19 -0.22 -0.01 0.00 -0.00 0.00 0.00 35.03 34.98 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 0.00 2.57 -2.92 5.58 8.25 -1.26 -4.41 115.22 123.03 1vre n HIS 97 Ca 0.00 -2.90 -0.30 0.00 -0.26 0.00 0.00 57.72 54.26 1vre n HIS 97 Cb 0.00 -2.04 -0.03 0.00 1.12 0.00 0.00 29.99 29.04 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 -0.08 4.83 0.00 1.59 1.01 -1.26 -5.02 121.20 122.27 1vre s ILE 98 Ca 0.58 0.51 0.03 0.00 0.00 0.00 0.00 60.65 61.76 1vre s ILE 98 Cb 0.18 -3.74 -0.01 0.00 0.01 0.00 0.00 42.46 38.90 1vre s ILE 98 CO -0.08 -0.51 -0.08 -0.54 0.00 0.00 0.00 174.94 173.73 1vre s LYS 99 N -3.85 0.64 0.00 2.79 3.01 -1.26 -5.01 119.74 116.05 1vre s LYS 99 Ca 0.50 -0.36 0.30 0.00 -1.01 0.00 0.00 55.97 55.40 1vre s LYS 99 Cb -0.10 -0.60 1.52 0.00 -1.01 0.00 0.00 37.83 37.64 1vre s LYS 99 CO 0.32 0.16 2.03 0.00 0.51 0.00 0.00 175.35 178.37 1vre n ALA 100 N 2.68 2.64 0.17 5.17 0.00 -1.26 -3.35 120.51 126.56 1vre n ALA 100 Ca -0.14 -0.22 0.06 0.00 0.00 0.00 0.00 53.44 53.14 1vre n ALA 100 Cb 0.57 -1.43 0.12 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 0.33 0.00 -0.00 0.00 4.11 -2.03 -3.05 114.58 113.94 1vre h GLU 101 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 1vre h GLU 101 Cb 0.23 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.48 1vre h GLU 101 CO 0.00 0.33 -0.01 0.66 0.07 0.00 0.00 179.01 180.06 1vre n TYR 102 N -3.21 0.00 0.08 2.06 4.02 -1.21 -4.08 117.16 114.81 1vre n TYR 102 Ca 0.02 0.00 -0.03 0.00 -0.01 0.00 0.00 57.90 57.88 1vre n TYR 102 Cb 0.64 -0.34 -0.02 0.00 -0.02 0.00 0.00 39.34 39.60 1vre n TYR 102 CO 0.00 0.00 0.00 0.74 -1.01 0.00 0.00 176.86 176.59 1vre h PHE 103 N 0.02 -0.20 -0.52 -0.72 -1.00 -1.73 -1.58 116.94 111.22 1vre h PHE 103 Ca 0.00 -0.00 0.06 0.00 2.81 0.00 0.00 57.97 60.83 1vre h PHE 103 Cb 0.36 0.06 -0.09 0.00 3.61 0.00 0.00 35.95 39.89 1vre h PHE 103 CO 0.00 -0.12 -0.56 0.93 -1.61 0.00 0.00 178.31 176.94 1vre h GLU 104 N -0.37 -0.31 0.02 1.51 5.08 -1.75 0.75 114.58 119.51 1vre h GLU 104 Ca -0.02 0.02 0.03 0.00 -1.00 0.00 0.00 59.36 58.39 1vre h GLU 104 Cb 0.16 0.07 -0.05 0.00 0.50 0.00 0.00 28.75 29.43 1vre h GLU 104 CO 0.04 -0.21 -0.34 -1.00 -1.00 0.00 0.00 179.01 176.50 1vre h PRO 105 N -0.33 -0.48 0.00 2.33 0.13 -1.71 0.35 132.00 132.29 1vre h PRO 105 Ca 0.09 0.03 0.00 0.00 -0.87 0.00 0.00 66.00 65.25 1vre h PRO 105 Cb 0.56 0.11 0.00 0.00 0.13 0.00 0.00 31.00 31.80 1vre h PRO 105 CO -0.66 -0.32 0.00 1.25 -0.23 0.00 0.00 178.00 178.04 1vre h LEU 106 N -0.50 0.00 -0.02 1.56 7.12 -0.33 -1.69 115.31 121.45 1vre h LEU 106 Ca 0.05 0.00 -0.11 0.00 0.13 0.00 0.00 57.88 57.95 1vre h LEU 106 Cb 0.58 0.00 0.01 0.00 -0.53 0.00 0.00 40.66 40.72 1vre h LEU 106 CO -0.26 0.00 -0.42 1.23 -0.13 0.00 0.00 178.44 178.85 1vre h GLY 107 N 0.00 0.35 0.78 3.75 0.00 0.45 -1.88 103.07 106.51 1vre h GLY 107 Ca 0.00 -0.58 -0.04 0.00 0.00 0.00 0.00 47.33 46.71 1vre h GLY 107 CO 0.00 0.51 -0.05 0.00 0.00 0.00 0.00 176.54 177.01 1vre h ALA 108 N 0.32 0.23 0.00 3.60 0.00 -0.35 -2.30 119.26 120.76 1vre h ALA 108 Ca -0.05 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.61 1vre h ALA 108 Cb 1.14 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.87 1vre h ALA 108 CO 0.08 0.01 0.00 0.77 0.00 0.00 0.00 179.25 180.11 1vre h SER 109 N 0.03 0.00 -0.07 0.00 0.02 -1.44 -2.46 113.55 109.64 1vre h SER 109 Ca 0.04 0.00 -0.20 0.00 -0.84 0.00 0.00 61.79 60.79 1vre h SER 109 Cb 0.49 0.00 0.01 0.00 0.14 0.00 0.00 62.40 63.04 1vre h SER 109 CO 0.02 0.00 -0.74 0.25 -1.14 0.00 0.00 176.83 175.22 1vre h LEU 110 N 0.00 0.76 -2.09 5.07 6.46 -0.76 -3.08 115.31 121.68 1vre h LEU 110 Ca 0.00 -0.69 -0.00 0.00 -0.12 0.00 0.00 57.88 57.07 1vre h LEU 110 Cb 0.21 -0.23 -0.00 0.00 -0.73 0.00 0.00 40.66 39.91 1vre h LEU 110 CO 0.00 1.34 -0.01 -0.07 -0.62 0.00 0.00 178.44 179.08 1vre h LEU 111 N 0.25 0.00 -0.38 2.25 3.38 -1.24 -1.99 115.31 117.58 1vre h LEU 111 Ca -0.07 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.90 1vre h LEU 111 Cb 1.40 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 42.13 1vre h LEU 111 CO 0.15 0.01 0.25 -1.28 0.09 0.00 0.00 178.44 177.66 1vre h SER 112 N 0.00 0.44 -0.33 -0.43 0.87 -1.53 -2.36 113.55 110.22 1vre h SER 112 Ca -0.00 -0.02 -0.09 0.00 -1.23 0.00 0.00 61.79 60.45 1vre h SER 112 Cb 0.02 -0.11 -0.02 0.00 -0.44 0.00 0.00 62.40 61.85 1vre h SER 112 CO 0.00 0.34 -0.10 0.00 -0.53 0.00 0.00 176.83 176.53 1vre h ALA 113 N 1.13 1.03 -0.90 6.23 0.00 -1.43 -2.85 119.26 122.46 1vre h ALA 113 Ca 0.14 -0.31 0.23 0.00 0.00 0.00 0.00 54.91 54.97 1vre h ALA 113 Cb -0.04 -0.17 -0.13 0.00 0.00 0.00 0.00 17.79 17.45 1vre h ALA 113 CO -0.03 0.59 0.39 0.52 0.00 0.00 0.00 179.25 180.72 1vre h MET 114 N 0.68 0.35 -0.24 0.00 2.07 -1.09 0.99 114.93 117.70 1vre h MET 114 Ca 0.12 -0.02 0.07 0.00 -2.07 0.00 0.00 59.70 57.80 1vre h MET 114 Cb 0.57 -0.08 -0.01 0.00 -1.87 0.00 0.00 31.60 30.21 1vre h MET 114 CO 0.04 0.23 0.35 0.93 1.07 0.00 0.00 176.91 179.53 1vre h GLU 115 N 0.36 0.00 -0.06 1.72 5.08 -1.42 -2.13 114.58 118.14 1vre h GLU 115 Ca 0.58 0.00 0.04 0.00 -1.00 0.00 0.00 59.36 58.97 1vre h GLU 115 Cb 1.13 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 30.32 1vre h GLU 115 CO -0.56 0.00 -0.32 0.45 -1.00 0.00 0.00 179.01 177.59 1vre h HIS 116 N 0.00 -0.88 0.16 4.33 3.86 0.89 0.79 115.15 124.31 1vre h HIS 116 Ca 0.11 0.03 -0.01 0.00 -1.16 0.00 0.00 60.37 59.35 1vre h HIS 116 Cb 0.82 0.39 0.00 0.00 1.06 0.00 0.00 27.41 29.69 1vre h HIS 116 CO 0.00 -0.40 -0.08 -0.09 0.86 0.00 0.00 177.93 178.22 1vre h ARG 117 N -0.44 -0.21 -2.39 2.45 2.43 -1.53 -3.34 114.38 111.35 1vre h ARG 117 Ca 0.08 0.01 -0.75 0.00 -0.81 0.00 0.00 59.98 58.51 1vre h ARG 117 Cb 0.55 0.05 -0.19 0.00 -0.42 0.00 0.00 29.97 29.95 1vre h ARG 117 CO -0.30 -0.14 1.65 0.44 -1.51 0.00 0.00 179.97 180.11 1vre n ILE 118 N -3.23 5.33 -0.21 1.20 -5.35 -1.17 -4.68 119.36 111.26 1vre n ILE 118 Ca -0.03 -4.85 -0.08 0.00 -0.27 0.00 0.00 62.75 57.52 1vre n ILE 118 Cb 0.08 -1.79 0.05 0.00 -1.74 0.00 0.00 39.64 36.25 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 4.77 1.13 1.41 3.28 0.00 0.49 1.51 103.07 115.66 1vre h GLY 119 Ca 0.61 -0.80 0.00 0.00 0.00 0.00 0.00 47.33 47.14 1vre h GLY 119 CO 1.31 0.74 -0.40 0.61 0.00 0.00 0.00 176.54 178.80 1vre n GLY 120 N -0.50 -1.46 0.01 4.60 0.00 -1.26 -3.81 105.19 102.77 1vre n GLY 120 Ca 0.03 -0.20 0.07 0.00 0.00 0.00 0.00 46.02 45.92 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 -1.97 0.59 -1.93 1.61 5.02 -0.96 -4.82 118.16 115.69 1vre n LYS 121 Ca 0.05 -0.14 -0.24 0.00 -2.02 0.00 0.00 58.31 55.95 1vre n LYS 121 Cb 0.41 -1.40 -0.05 0.00 -0.02 0.00 0.00 35.03 33.97 1vre n LYS 121 CO 0.00 0.00 0.00 1.41 -0.52 0.00 0.00 177.40 178.29 1vre s MET 122 N -3.10 2.33 0.20 1.97 1.75 0.51 -4.91 119.30 118.05 1vre s MET 122 Ca -0.06 -0.06 -0.00 0.00 -1.25 0.00 0.00 55.69 54.31 1vre s MET 122 Cb 0.10 -4.97 0.04 0.00 2.84 0.00 0.00 34.83 32.84 1vre s MET 122 CO 0.69 -3.60 0.27 0.27 -0.65 0.00 0.00 175.02 171.99 1vre n ASN 123 N 15.04 0.36 -0.01 1.11 6.94 -1.26 -4.85 115.26 132.60 1vre n ASN 123 Ca 0.41 -1.31 -0.12 0.00 -0.02 0.00 0.00 54.58 53.55 1vre n ASN 123 Cb 0.46 -0.17 -0.07 0.00 -2.36 0.00 0.00 39.78 37.64 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 -0.48 0.10 0.00 -2.53 0.00 -1.99 -1.68 119.26 112.68 1vre h ALA 124 Ca -0.09 -0.10 -0.00 0.00 0.00 0.00 0.00 54.91 54.72 1vre h ALA 124 Cb 0.33 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.09 1vre h ALA 124 CO 0.10 -0.30 -0.01 0.00 0.00 0.00 0.00 179.25 179.03 1vre h ALA 125 N 0.85 1.47 -0.00 0.00 0.00 -1.97 0.40 119.26 120.01 1vre h ALA 125 Ca 0.03 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.91 1vre h ALA 125 Cb 0.19 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.98 1vre h ALA 125 CO -0.00 0.02 -0.07 0.00 0.00 0.00 0.00 179.25 179.19 1vre h ALA 126 N 1.99 0.01 -0.02 0.00 0.00 -1.74 0.03 119.26 119.54 1vre h ALA 126 Ca -0.00 -0.40 -0.14 0.00 0.00 0.00 0.00 54.91 54.37 1vre h ALA 126 Cb 0.04 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 1vre h ALA 126 CO 0.00 -0.06 -0.66 1.57 0.00 0.00 0.00 179.25 180.10 1vre h LYS 127 N -0.67 0.07 0.04 0.00 2.10 -0.79 -2.16 116.57 115.16 1vre h LYS 127 Ca -0.01 -0.05 -0.23 0.00 -2.00 0.00 0.00 60.65 58.36 1vre h LYS 127 Cb 0.82 0.01 0.02 0.00 -0.90 0.00 0.00 32.23 32.18 1vre h LYS 127 CO 0.01 0.70 -0.92 0.22 -2.00 0.00 0.00 179.45 177.47 1vre h ASP 128 N 0.05 0.73 -0.51 7.07 3.58 -0.28 0.09 116.42 127.15 1vre h ASP 128 Ca -0.01 -0.79 -0.04 0.00 0.42 0.00 0.00 57.03 56.61 1vre h ASP 128 Cb 1.17 -0.23 -0.02 0.00 1.72 0.00 0.00 39.33 41.97 1vre h ASP 128 CO 0.09 1.43 0.16 0.00 -2.88 0.00 0.00 179.24 178.04 1vre h ALA 129 N 0.32 0.66 0.00 -0.78 0.00 -0.98 -2.42 119.26 116.06 1vre h ALA 129 Ca -0.13 -0.19 -0.10 0.00 0.00 0.00 0.00 54.91 54.49 1vre h ALA 129 Cb 1.61 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 19.19 1vre h ALA 129 CO 0.18 0.32 -0.49 -1.49 0.00 0.00 0.00 179.25 177.77 1vre h TRP 130 N 0.69 0.00 0.00 0.00 4.06 -1.45 -1.62 115.95 117.63 1vre h TRP 130 Ca 0.16 0.00 -0.03 0.00 2.06 0.00 0.00 58.89 61.08 1vre h TRP 130 Cb 0.27 0.00 -0.00 0.00 -1.00 0.00 0.00 29.16 28.43 1vre h TRP 130 CO 0.02 0.49 -0.16 0.00 -3.56 0.00 0.00 178.44 175.22 1vre h ALA 131 N 1.51 1.38 0.00 1.49 0.00 -0.50 -0.52 119.26 122.62 1vre h ALA 131 Ca -0.00 -0.14 -0.22 0.00 0.00 0.00 0.00 54.91 54.54 1vre h ALA 131 Cb 1.15 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 18.88 1vre h ALA 131 CO 0.06 0.20 -1.99 0.00 0.00 0.00 0.00 179.25 177.52 1vre n ALA 132 N -2.35 1.94 0.09 0.00 0.00 -1.01 -4.00 120.51 115.19 1vre n ALA 132 Ca -0.02 -0.89 -0.08 0.00 0.00 0.00 0.00 53.44 52.45 1vre n ALA 132 Cb 0.26 -0.57 -0.05 0.00 0.00 0.00 0.00 19.45 19.09 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 1.36 -0.32 -0.88 0.00 0.00 -0.87 -2.71 119.26 115.85 1vre h ALA 133 Ca -0.30 -0.15 0.26 0.00 0.00 0.00 0.00 54.91 54.72 1vre h ALA 133 Cb 1.75 0.12 -0.04 0.00 0.00 0.00 0.00 17.79 19.63 1vre h ALA 133 CO 0.03 -0.33 0.68 1.88 0.00 0.00 0.00 179.25 181.50 1vre h TYR 134 N -1.02 0.00 -0.22 0.00 0.05 -1.33 0.59 116.97 115.05 1vre h TYR 134 Ca -0.03 0.00 -0.10 0.00 0.05 0.00 0.00 58.73 58.64 1vre h TYR 134 Cb 0.41 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 38.14 1vre h TYR 134 CO 0.04 0.00 -0.27 0.00 -1.05 0.00 0.00 178.16 176.88 1vre h ALA 135 N 1.48 0.32 -0.02 3.88 0.00 -1.68 -0.12 119.26 123.13 1vre h ALA 135 Ca 0.42 -0.39 -0.19 0.00 0.00 0.00 0.00 54.91 54.75 1vre h ALA 135 Cb 1.77 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 19.48 1vre h ALA 135 CO -0.00 0.32 -0.83 -0.44 0.00 0.00 0.00 179.25 178.29 1vre h ASP 136 N 0.25 0.31 0.56 0.00 5.19 -0.04 0.20 116.42 122.89 1vre h ASP 136 Ca 0.03 -0.23 -0.03 0.00 -0.62 0.00 0.00 57.03 56.18 1vre h ASP 136 Cb 0.83 -0.09 0.01 0.00 0.18 0.00 0.00 39.33 40.25 1vre h ASP 136 CO 0.06 1.01 -0.27 0.40 -3.12 0.00 0.00 179.24 177.32 1vre h ILE 137 N 0.15 0.12 -0.06 0.35 2.04 0.01 -2.09 117.51 118.03 1vre h ILE 137 Ca -0.04 -0.45 -0.02 0.00 1.00 0.00 0.00 64.86 65.36 1vre h ILE 137 Cb 1.43 0.18 -0.00 0.00 -0.74 0.00 0.00 36.82 37.69 1vre h ILE 137 CO 0.13 0.02 -0.03 -1.28 0.00 0.00 0.00 178.15 177.00 1vre h SER 138 N -1.15 0.13 -0.78 1.72 0.87 -1.11 -2.71 113.55 110.53 1vre h SER 138 Ca -0.08 -0.41 0.23 0.00 -1.23 0.00 0.00 61.79 60.30 1vre h SER 138 Cb 0.61 -0.04 -0.03 0.00 -0.44 0.00 0.00 62.40 62.51 1vre h SER 138 CO 0.13 0.51 0.63 1.23 -0.53 0.00 0.00 176.83 178.79 1vre h GLY 139 N -0.25 0.00 0.24 5.77 0.00 -0.69 1.45 103.07 109.59 1vre h GLY 139 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.34 1vre h GLY 139 CO 0.01 0.00 0.00 0.00 0.00 0.00 0.00 176.54 176.55 1vre n ALA 140 N -2.59 2.60 -0.03 3.60 0.00 -0.79 -3.41 120.51 119.89 1vre n ALA 140 Ca 0.16 -0.25 0.02 0.00 0.00 0.00 0.00 53.44 53.37 1vre n ALA 140 Cb 0.91 -1.28 -0.14 0.00 0.00 0.00 0.00 19.45 18.94 1vre n ALA 140 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 1vre n LEU 141 N -0.49 0.18 -0.92 0.00 0.00 0.50 -2.97 117.00 113.30 1vre n LEU 141 Ca 0.16 0.08 0.03 0.00 0.00 0.00 0.00 56.01 56.28 1vre n LEU 141 Cb 0.16 0.18 0.14 0.00 0.00 0.00 0.00 43.42 43.90 1vre n LEU 141 CO 0.13 0.19 0.50 -0.38 0.00 0.00 0.00 177.39 177.82 1vre n ILE 142 N -2.55 0.89 0.22 1.96 5.41 -1.21 -3.41 119.36 120.68 1vre n ILE 142 Ca -0.15 -0.48 0.12 0.00 1.00 0.00 0.00 62.75 63.24 1vre n ILE 142 Cb 0.82 -0.31 0.26 0.00 -0.71 0.00 0.00 39.64 39.69 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 1.47 0.00 0.00 4.38 0.02 -1.75 -3.31 113.55 114.36 1vre h SER 143 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1vre h SER 143 Cb 0.92 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.46 1vre h SER 143 CO 0.15 0.06 0.00 0.61 -1.14 0.00 0.00 176.83 176.51 1vre n GLY 144 N 0.89 -0.19 3.69 -3.77 0.00 -1.25 -5.03 105.19 99.52 1vre n GLY 144 Ca 0.03 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.68 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 -0.07 4.17 0.00 0.99 1.98 -1.25 -4.19 118.68 120.30 1vre s LEU 145 Ca 0.00 0.32 0.00 0.00 -2.89 0.00 0.00 54.13 51.56 1vre s LEU 145 Cb 0.00 -2.27 0.00 0.00 0.66 0.00 0.00 46.19 44.58 1vre s LEU 145 CO 0.00 0.05 0.00 0.00 -1.89 0.00 0.00 176.35 174.51 1vre n GLN 146 N 4.08 0.00 -0.29 1.98 6.02 -1.26 -4.86 117.38 123.04 1vre n GLN 146 Ca -0.13 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.86 1vre n GLN 146 Cb 0.52 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.78 1vre n GLN 146 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 177.06 174.92