#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1vre n LEU 2 N 0.00 -0.70 0.00 0.99 4.32 -1.26 -4.86 117.00 115.49 1vre n LEU 2 Ca 0.00 -0.34 0.00 0.00 -0.02 0.00 0.00 56.01 55.65 1vre n LEU 2 Cb 0.00 -1.51 0.00 0.00 -1.62 0.00 0.00 43.42 40.29 1vre n LEU 2 CO 0.00 0.07 0.00 -1.54 -1.22 0.00 0.00 177.39 174.70 1vre n SER 3 N -2.04 0.00 0.02 -1.43 3.41 -1.26 -4.03 113.62 108.29 1vre n SER 3 Ca 0.03 0.00 0.05 0.00 -0.26 0.00 0.00 58.87 58.69 1vre n SER 3 Cb 0.50 0.00 0.22 0.00 -0.26 0.00 0.00 64.21 64.67 1vre n SER 3 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1vre n ALA 4 N -3.00 1.38 -0.09 7.33 0.00 -1.26 -1.12 120.51 123.76 1vre n ALA 4 Ca 0.00 -0.01 -0.16 0.00 0.00 0.00 0.00 53.44 53.27 1vre n ALA 4 Cb 0.00 -1.16 -0.05 0.00 0.00 0.00 0.00 19.45 18.23 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 -1.54 1.51 -0.01 0.00 0.00 -1.26 -4.21 120.51 115.00 1vre n ALA 5 Ca 0.02 -0.76 -0.13 0.00 0.00 0.00 0.00 53.44 52.56 1vre n ALA 5 Cb 0.10 0.16 -0.10 0.00 0.00 0.00 0.00 19.45 19.62 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 -0.77 -0.03 -0.30 0.00 4.20 -1.88 -1.10 115.11 115.24 1vre h GLN 6 Ca -0.32 0.00 0.09 0.00 0.06 0.00 0.00 58.65 58.48 1vre h GLN 6 Cb 1.19 0.01 -0.01 0.00 0.30 0.00 0.00 27.48 28.96 1vre h GLN 6 CO -0.19 0.50 0.41 -0.09 -0.67 0.00 0.00 178.83 178.79 1vre h ARG 7 N -0.58 0.00 0.00 1.46 2.43 -1.26 0.19 114.38 116.62 1vre h ARG 7 Ca -0.00 0.00 -0.05 0.00 -0.81 0.00 0.00 59.98 59.12 1vre h ARG 7 Cb 0.55 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.09 1vre h ARG 7 CO 0.01 0.00 -0.32 1.96 -1.51 0.00 0.00 179.97 180.10 1vre h GLN 8 N 0.00 0.00 -0.68 0.20 7.50 -1.60 -3.30 115.11 117.24 1vre h GLN 8 Ca 0.14 0.00 0.12 0.00 0.50 0.00 0.00 58.65 59.41 1vre h GLN 8 Cb 0.96 0.00 -0.04 0.00 0.05 0.00 0.00 27.48 28.45 1vre h GLN 8 CO -0.00 0.67 0.46 0.28 -1.50 0.00 0.00 178.83 178.74 1vre h VAL 9 N -1.00 0.85 -0.73 -0.54 2.07 -0.19 -0.16 116.25 116.55 1vre h VAL 9 Ca -0.08 -0.14 0.05 0.00 0.82 0.00 0.00 66.70 67.35 1vre h VAL 9 Cb 0.79 0.39 -0.05 0.00 -1.52 0.00 0.00 31.29 30.90 1vre h VAL 9 CO -0.05 0.08 0.44 0.58 0.02 0.00 0.00 177.57 178.64 1vre h VAL 10 N 0.42 1.02 0.00 2.57 2.07 -1.11 0.19 116.25 121.41 1vre h VAL 10 Ca 0.32 -0.28 0.00 0.00 0.82 0.00 0.00 66.70 67.57 1vre h VAL 10 Cb 0.69 0.14 0.00 0.00 -1.52 0.00 0.00 31.29 30.60 1vre h VAL 10 CO -0.10 0.15 0.00 0.00 0.02 0.00 0.00 177.57 177.64 1vre n ALA 11 N -2.34 2.06 -0.01 1.67 0.00 -0.12 -2.15 120.51 119.63 1vre n ALA 11 Ca 0.09 -0.08 -0.01 0.00 0.00 0.00 0.00 53.44 53.44 1vre n ALA 11 Cb 0.15 -1.38 -0.11 0.00 0.00 0.00 0.00 19.45 18.11 1vre n ALA 11 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1vre n SER 12 N -1.52 0.56 0.02 0.00 2.88 0.48 -3.68 113.62 112.36 1vre n SER 12 Ca 0.06 0.25 0.11 0.00 -1.33 0.00 0.00 58.87 57.96 1vre n SER 12 Cb 0.27 0.56 -0.03 0.00 -0.75 0.00 0.00 64.21 64.26 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 -2.79 0.14 0.08 2.46 -2.24 -0.15 -4.10 114.28 107.69 1vre n THR 13 Ca -0.14 -0.27 0.06 0.00 -2.27 0.00 0.00 64.05 61.42 1vre n THR 13 Cb 0.89 0.25 -0.02 0.00 -2.10 0.00 0.00 70.33 69.34 1vre n THR 13 CO 0.00 0.00 0.00 -0.25 -0.57 0.00 0.00 175.07 174.25 1vre h TRP 14 N 0.00 0.00 -0.01 4.78 7.01 -1.59 -2.86 115.95 123.28 1vre h TRP 14 Ca 0.00 0.00 0.00 0.00 2.11 0.00 0.00 58.89 61.00 1vre h TRP 14 Cb 0.76 0.00 0.00 0.00 -2.10 0.00 0.00 29.16 27.82 1vre h TRP 14 CO 0.00 0.30 0.00 1.63 -2.79 0.00 0.00 178.44 177.58 1vre n LYS 15 N -2.85 1.11 -0.00 2.65 5.02 -1.24 -2.37 118.16 120.48 1vre n LYS 15 Ca -0.04 -0.16 -0.01 0.00 -2.02 0.00 0.00 58.31 56.08 1vre n LYS 15 Cb 0.69 -1.42 -0.00 0.00 -0.02 0.00 0.00 35.03 34.28 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 -0.73 0.63 0.16 4.39 9.92 -1.24 -4.33 116.55 125.35 1vre n ASP 16 Ca 0.20 0.01 0.02 0.00 -0.53 0.00 0.00 54.79 54.48 1vre n ASP 16 Cb 0.13 -0.02 0.26 0.00 -0.64 0.00 0.00 41.12 40.86 1vre n ASP 16 CO 0.00 0.00 0.00 0.40 0.13 0.00 0.00 177.20 177.73 1vre h ILE 17 N -0.02 1.23 -0.69 0.53 2.04 -1.64 -3.01 117.51 115.96 1vre h ILE 17 Ca -0.01 -1.77 -0.43 0.00 1.00 0.00 0.00 64.86 63.65 1vre h ILE 17 Cb 1.01 1.99 -0.25 0.00 -0.74 0.00 0.00 36.82 38.83 1vre h ILE 17 CO -0.01 0.49 0.10 0.00 0.00 0.00 0.00 178.15 178.73 1vre n ALA 18 N -2.39 5.16 -1.00 1.87 0.00 -1.00 -3.61 120.51 119.54 1vre n ALA 18 Ca -0.01 -3.33 0.00 0.00 0.00 0.00 0.00 53.44 50.10 1vre n ALA 18 Cb 0.54 -1.01 0.00 0.00 0.00 0.00 0.00 19.45 18.98 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 -1.00 -2.06 0.05 0.00 0.00 -1.14 -3.02 105.19 98.03 1vre n GLY 19 Ca 0.47 0.10 0.02 0.00 0.00 0.00 0.00 46.02 46.60 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 -0.21 0.19 0.20 1.61 3.41 -1.26 -4.26 113.62 113.29 1vre n SER 20 Ca 0.00 0.00 0.10 0.00 -0.26 0.00 0.00 58.87 58.71 1vre n SER 20 Cb 0.00 1.52 0.13 0.00 -0.26 0.00 0.00 64.21 65.61 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 -3.32 4.04 2.03 -1.85 -3.47 116.42 113.85 1vre h ASP 21 Ca -0.24 0.00 -0.36 0.00 -0.73 0.00 0.00 57.03 55.71 1vre h ASP 21 Cb 1.52 0.00 -0.02 0.00 -0.83 0.00 0.00 39.33 40.00 1vre h ASP 21 CO 0.01 0.08 -0.46 -3.20 -1.03 0.00 0.00 179.24 174.64 1vre n ASN 22 N -3.08 -5.20 -0.22 4.15 5.15 -1.17 -1.73 115.26 113.17 1vre n ASN 22 Ca 0.03 0.06 0.00 0.00 -0.60 0.00 0.00 54.58 54.07 1vre n ASN 22 Cb 0.56 -4.35 0.00 0.00 -0.53 0.00 0.00 39.78 35.46 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 -0.95 1.00 0.07 8.20 0.00 -1.24 -3.94 105.19 108.34 1vre n GLY 23 Ca -0.21 -0.42 -0.14 0.00 0.00 0.00 0.00 46.02 45.25 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 -0.00 0.00 4.61 0.00 -1.59 -3.19 119.26 119.08 1vre h ALA 24 Ca 0.00 -0.49 -0.06 0.00 0.00 0.00 0.00 54.91 54.36 1vre h ALA 24 Cb 0.57 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.36 1vre h ALA 24 CO 0.00 0.00 -0.29 0.78 0.00 0.00 0.00 179.25 179.74 1vre h GLY 25 N -0.91 0.00 2.00 0.00 0.00 -1.93 -3.02 103.07 99.21 1vre h GLY 25 Ca -0.01 0.00 -0.05 0.00 0.00 0.00 0.00 47.33 47.27 1vre h GLY 25 CO 0.01 0.00 -0.25 -2.08 0.00 0.00 0.00 176.54 174.22 1vre h VAL 26 N 0.00 0.90 0.00 4.60 2.07 -1.93 -2.32 116.25 119.58 1vre h VAL 26 Ca -0.00 -0.96 -0.10 0.00 0.82 0.00 0.00 66.70 66.45 1vre h VAL 26 Cb 1.03 1.57 -0.02 0.00 -1.52 0.00 0.00 31.29 32.35 1vre h VAL 26 CO 0.04 0.25 -0.57 1.23 0.02 0.00 0.00 177.57 178.53 1vre h GLY 27 N 1.15 0.00 1.66 2.17 0.00 -1.52 -1.40 103.07 105.14 1vre h GLY 27 Ca -0.00 0.00 0.03 0.00 0.00 0.00 0.00 47.33 47.36 1vre h GLY 27 CO 0.03 0.00 0.14 0.07 0.00 0.00 0.00 176.54 176.78 1vre h LYS 28 N -1.00 0.00 0.00 4.80 2.10 -1.53 0.50 116.57 121.44 1vre h LYS 28 Ca -0.15 0.00 -0.29 0.00 -2.00 0.00 0.00 60.65 58.21 1vre h LYS 28 Cb 1.07 0.00 -0.05 0.00 -0.90 0.00 0.00 32.23 32.35 1vre h LYS 28 CO -0.09 0.00 -2.11 -0.85 -2.00 0.00 0.00 179.45 174.40 1vre n GLU 29 N -3.62 0.67 -0.08 0.07 0.28 -0.88 -3.61 120.64 113.48 1vre n GLU 29 Ca -0.00 0.05 -0.13 0.00 -0.16 0.00 0.00 57.16 56.91 1vre n GLU 29 Cb 0.24 -1.60 -0.09 0.00 1.43 0.00 0.00 31.44 31.41 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 -1.00 0.60 -0.93 0.00 -1.00 -0.25 -1.43 116.94 112.92 1vre h PHE 31 Ca -0.11 0.01 0.16 0.00 2.81 0.00 0.00 57.97 60.84 1vre h PHE 31 Cb 0.89 -0.20 -0.10 0.00 3.61 0.00 0.00 35.95 40.16 1vre h PHE 31 CO 0.13 0.40 0.52 1.15 -1.61 0.00 0.00 178.31 178.91 1vre h THR 32 N 0.62 0.74 -0.08 -1.55 2.02 -1.66 0.36 112.91 113.36 1vre h THR 32 Ca 0.17 -0.25 -0.03 0.00 0.77 0.00 0.00 66.41 67.07 1vre h THR 32 Cb -0.04 -0.04 -0.00 0.00 -1.74 0.00 0.00 68.15 66.33 1vre h THR 32 CO -0.03 0.13 -0.05 0.11 0.37 0.00 0.00 175.52 176.04 1vre h LYS 33 N 0.72 0.18 -0.07 6.66 1.57 -1.42 -1.44 116.57 122.78 1vre h LYS 33 Ca 0.51 -0.08 0.01 0.00 -1.87 0.00 0.00 60.65 59.22 1vre h LYS 33 Cb 0.73 -0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.03 1vre h LYS 33 CO -0.36 0.57 -0.00 0.35 -0.57 0.00 0.00 179.45 179.44 1vre h PHE 34 N -0.22 -0.01 -0.53 -1.35 3.57 -0.21 0.13 116.94 118.32 1vre h PHE 34 Ca 0.02 0.01 0.04 0.00 3.53 0.00 0.00 57.97 61.56 1vre h PHE 34 Cb 0.53 0.02 -0.04 0.00 2.79 0.00 0.00 35.95 39.24 1vre h PHE 34 CO 0.08 -0.01 0.28 -0.07 -2.23 0.00 0.00 178.31 176.35 1vre h LEU 35 N 0.02 0.40 0.84 0.59 3.38 -0.35 0.84 115.31 121.03 1vre h LEU 35 Ca 0.03 0.03 -0.04 0.00 0.09 0.00 0.00 57.88 57.99 1vre h LEU 35 Cb 0.04 -0.05 0.01 0.00 0.09 0.00 0.00 40.66 40.74 1vre h LEU 35 CO -0.06 0.28 -0.40 -1.28 0.09 0.00 0.00 178.44 177.07 1vre h SER 36 N 0.54 -0.95 -0.00 -0.43 0.87 -0.82 -2.76 113.55 109.99 1vre h SER 36 Ca 0.23 0.03 0.00 0.00 -1.23 0.00 0.00 61.79 60.82 1vre h SER 36 Cb 0.12 0.25 -0.00 0.00 -0.44 0.00 0.00 62.40 62.33 1vre h SER 36 CO -0.15 -0.60 0.00 0.00 -0.53 0.00 0.00 176.83 175.56 1vre h ALA 37 N -1.27 1.70 -3.74 6.23 0.00 -0.62 -3.35 119.26 118.20 1vre h ALA 37 Ca -0.11 -0.00 -0.67 0.00 0.00 0.00 0.00 54.91 54.13 1vre h ALA 37 Cb 0.86 0.00 -0.38 0.00 0.00 0.00 0.00 17.79 18.27 1vre h ALA 37 CO 0.19 -0.00 -0.75 -1.01 0.00 0.00 0.00 179.25 177.68 1vre s HIS 38 N -4.79 3.55 -0.25 0.00 3.76 0.29 -4.94 115.29 112.92 1vre s HIS 38 Ca -0.05 -2.69 0.20 0.00 -0.15 0.00 0.00 55.06 52.37 1vre s HIS 38 Cb 0.16 -2.51 0.05 0.00 1.11 0.00 0.00 32.58 31.39 1vre s HIS 38 CO 0.59 -0.92 1.18 0.45 -0.85 0.00 0.00 174.74 175.19 1vre h HIS 39 N 7.70 0.00 0.00 1.40 -0.00 -1.70 -2.95 115.15 119.59 1vre h HIS 39 Ca -0.11 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.26 1vre h HIS 39 Cb 1.03 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 28.44 1vre h HIS 39 CO 0.54 0.19 0.00 0.38 -0.00 0.00 0.00 177.93 179.04 1vre h ASP 40 N 0.00 0.00 0.00 2.45 2.03 -1.92 -2.92 116.42 116.06 1vre h ASP 40 Ca -0.04 0.00 -0.09 0.00 -0.73 0.00 0.00 57.03 56.18 1vre h ASP 40 Cb 1.18 0.00 -0.02 0.00 -0.83 0.00 0.00 39.33 39.66 1vre h ASP 40 CO 0.02 0.00 -1.62 0.23 -1.03 0.00 0.00 179.24 176.83 1vre n MET 41 N -2.51 1.18 -0.34 4.15 2.81 -1.23 -4.44 117.12 116.74 1vre n MET 41 Ca 0.01 -0.06 0.17 0.00 -1.81 0.00 0.00 57.70 56.01 1vre n MET 41 Cb 0.20 -1.28 0.38 0.00 -0.71 0.00 0.00 33.22 31.82 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 0.83 1.74 0.00 3.04 0.00 -1.33 1.17 119.26 124.71 1vre h ALA 42 Ca -0.13 0.14 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 1vre h ALA 42 Cb 1.03 0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.87 1vre h ALA 42 CO 0.01 -0.30 -0.11 0.00 0.00 0.00 0.00 179.25 178.84 1vre h ALA 43 N 1.74 0.95 -0.05 0.00 0.00 -1.69 -2.13 119.26 118.06 1vre h ALA 43 Ca 0.64 -0.10 -0.25 0.00 0.00 0.00 0.00 54.91 55.19 1vre h ALA 43 Cb 1.23 -0.02 0.02 0.00 0.00 0.00 0.00 17.79 19.02 1vre h ALA 43 CO -0.49 0.14 -0.95 0.28 0.00 0.00 0.00 179.25 178.22 1vre h VAL 44 N 0.00 1.28 -0.05 0.00 2.07 0.11 -3.17 116.25 116.49 1vre h VAL 44 Ca -0.00 -2.17 -0.09 0.00 0.82 0.00 0.00 66.70 65.26 1vre h VAL 44 Cb 0.94 2.25 -0.01 0.00 -1.52 0.00 0.00 31.29 32.95 1vre h VAL 44 CO 0.01 0.67 -0.38 -0.26 0.02 0.00 0.00 177.57 177.64 1vre h PHE 45 N 0.44 0.12 0.00 1.57 -1.00 -1.08 -3.40 116.94 113.59 1vre h PHE 45 Ca -0.10 -0.03 0.00 0.00 2.81 0.00 0.00 57.97 60.65 1vre h PHE 45 Cb 1.60 -0.03 0.00 0.00 3.61 0.00 0.00 35.95 41.13 1vre h PHE 45 CO 0.10 0.48 0.00 0.41 -1.61 0.00 0.00 178.31 177.68 1vre n GLY 46 N -0.35 1.91 3.58 -1.45 0.00 -1.18 -5.02 105.19 102.69 1vre n GLY 46 Ca -0.02 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.74 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 2.25 -0.23 1.61 0.08 -0.81 -4.97 117.98 113.91 1vre s PHE 47 Ca 0.00 -0.82 0.14 0.00 0.12 0.00 0.00 56.93 56.37 1vre s PHE 47 Cb 0.00 -1.59 0.53 0.00 -0.57 0.00 0.00 43.02 41.39 1vre s PHE 47 CO 0.00 0.26 1.46 0.45 -0.10 0.00 0.00 175.22 177.29 1vre n SER 48 N -0.94 3.44 0.00 1.36 2.88 -1.26 -4.00 113.62 115.09 1vre n SER 48 Ca -0.06 -3.28 0.00 0.00 -1.33 0.00 0.00 58.87 54.20 1vre n SER 48 Cb 0.67 -0.59 0.00 0.00 -0.75 0.00 0.00 64.21 63.54 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 -0.73 0.64 1.80 0.46 0.00 -1.26 -4.86 105.19 101.23 1vre n GLY 49 Ca 0.27 -1.75 -0.15 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 -0.81 4.52 -1.53 4.61 0.00 -1.26 -3.99 120.51 122.05 1vre n ALA 50 Ca 0.00 -1.89 0.06 0.00 0.00 0.00 0.00 53.44 51.61 1vre n ALA 50 Cb 0.00 -1.29 0.11 0.00 0.00 0.00 0.00 19.45 18.27 1vre n ALA 50 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1vre n SER 51 N -0.56 1.55 -4.67 0.00 7.64 -1.26 -5.00 113.62 111.32 1vre n SER 51 Ca 0.39 -2.90 -0.35 0.00 1.01 0.00 0.00 58.87 57.02 1vre n SER 51 Cb 1.27 -0.38 -0.10 0.00 -1.01 0.00 0.00 64.21 63.99 1vre n SER 51 CO 0.00 0.00 0.00 -1.81 -3.01 0.00 0.00 175.04 170.22 1vre s ASP 52 N -2.44 5.30 0.51 6.43 1.01 -1.26 -4.98 116.67 121.24 1vre s ASP 52 Ca 0.26 0.13 0.28 0.00 0.71 0.00 0.00 52.55 53.93 1vre s ASP 52 Cb 0.24 -1.59 1.36 0.00 1.01 0.00 0.00 42.92 43.95 1vre s ASP 52 CO -0.02 0.34 2.02 1.55 0.21 0.00 0.00 175.17 179.27 1vre h PRO 53 N 5.46 0.00 -0.65 8.23 0.13 -1.96 -2.57 132.00 140.65 1vre h PRO 53 Ca -0.48 0.00 0.16 0.00 -0.87 0.00 0.00 66.00 64.81 1vre h PRO 53 Cb 1.19 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.29 1vre h PRO 53 CO 0.57 0.13 0.45 0.78 -0.23 0.00 0.00 178.00 179.71 1vre h GLY 54 N 1.17 0.28 0.37 1.56 0.00 -1.93 -1.62 103.07 102.90 1vre h GLY 54 Ca -0.00 -0.07 0.04 0.00 0.00 0.00 0.00 47.33 47.30 1vre h GLY 54 CO 0.02 0.02 -0.24 -2.08 0.00 0.00 0.00 176.54 174.26 1vre h VAL 55 N 0.16 0.43 0.00 4.60 2.07 -1.85 0.36 116.25 122.02 1vre h VAL 55 Ca 0.31 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.83 1vre h VAL 55 Cb 1.01 0.43 0.00 0.00 -1.52 0.00 0.00 31.29 31.21 1vre h VAL 55 CO -0.05 0.00 0.00 0.00 0.02 0.00 0.00 177.57 177.54 1vre n ALA 56 N -2.68 1.23 -0.01 1.67 0.00 -0.62 -1.94 120.51 118.16 1vre n ALA 56 Ca -0.04 0.17 -0.21 0.00 0.00 0.00 0.00 53.44 53.35 1vre n ALA 56 Cb 0.28 -1.34 -0.13 0.00 0.00 0.00 0.00 19.45 18.26 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 0.31 0.32 0.00 5.19 -0.31 -3.15 116.42 118.77 1vre h ASP 57 Ca 0.00 -0.81 -0.02 0.00 -0.62 0.00 0.00 57.03 55.58 1vre h ASP 57 Cb 0.11 -0.10 0.00 0.00 0.18 0.00 0.00 39.33 39.53 1vre h ASP 57 CO 0.00 1.64 -0.15 -0.07 -3.12 0.00 0.00 179.24 177.53 1vre h LEU 58 N -0.37 -0.36 -1.99 1.55 3.38 -0.33 -2.58 115.31 114.61 1vre h LEU 58 Ca -0.33 0.01 0.22 0.00 0.09 0.00 0.00 57.88 57.87 1vre h LEU 58 Cb 1.72 0.09 -0.03 0.00 0.09 0.00 0.00 40.66 42.53 1vre h LEU 58 CO 0.01 -0.10 0.57 1.23 0.09 0.00 0.00 178.44 180.25 1vre h GLY 59 N -0.75 0.00 1.08 0.83 0.00 -1.62 0.19 103.07 102.80 1vre h GLY 59 Ca -0.04 0.00 -0.12 0.00 0.00 0.00 0.00 47.33 47.17 1vre h GLY 59 CO 0.07 0.00 -0.17 0.00 0.00 0.00 0.00 176.54 176.44 1vre h ALA 60 N 1.57 0.66 0.16 3.60 0.00 -1.50 -2.38 119.26 121.36 1vre h ALA 60 Ca 0.36 -0.37 -0.30 0.00 0.00 0.00 0.00 54.91 54.60 1vre h ALA 60 Cb 1.50 -0.16 0.01 0.00 0.00 0.00 0.00 17.79 19.13 1vre h ALA 60 CO -0.00 0.61 -1.36 0.87 0.00 0.00 0.00 179.25 179.37 1vre h LYS 61 N 0.80 0.33 0.36 0.00 1.57 -0.34 -3.32 116.57 115.99 1vre h LYS 61 Ca 0.11 -0.57 -0.01 0.00 -1.87 0.00 0.00 60.65 58.31 1vre h LYS 61 Cb 0.74 0.21 -0.00 0.00 0.08 0.00 0.00 32.23 33.26 1vre h LYS 61 CO 0.06 1.26 -0.20 0.28 -0.57 0.00 0.00 179.45 180.27 1vre h VAL 62 N 0.09 0.58 -1.04 0.50 2.07 -0.83 -2.21 116.25 115.41 1vre h VAL 62 Ca -0.18 0.00 0.29 0.00 0.82 0.00 0.00 66.70 67.62 1vre h VAL 62 Cb 2.03 0.58 -0.12 0.00 -1.52 0.00 0.00 31.29 32.26 1vre h VAL 62 CO 0.21 0.00 0.63 -0.07 0.02 0.00 0.00 177.57 178.36 1vre h LEU 63 N -0.53 0.54 -0.45 2.57 3.38 -1.56 0.15 115.31 119.42 1vre h LEU 63 Ca -0.04 0.14 0.09 0.00 0.09 0.00 0.00 57.88 58.15 1vre h LEU 63 Cb 0.42 0.06 -0.08 0.00 0.09 0.00 0.00 40.66 41.16 1vre h LEU 63 CO 0.06 0.01 -0.05 0.00 0.09 0.00 0.00 178.44 178.54 1vre h ALA 64 N 1.72 0.36 -0.48 1.53 0.00 -1.49 -0.72 119.26 120.19 1vre h ALA 64 Ca 0.67 0.15 0.09 0.00 0.00 0.00 0.00 54.91 55.82 1vre h ALA 64 Cb 1.54 0.28 -0.07 0.00 0.00 0.00 0.00 17.79 19.54 1vre h ALA 64 CO -0.46 -0.42 0.04 0.37 0.00 0.00 0.00 179.25 178.78 1vre h GLN 65 N 0.06 0.15 -0.59 0.00 5.75 -0.69 0.30 115.11 120.08 1vre h GLN 65 Ca 0.22 -0.01 0.11 0.00 -0.15 0.00 0.00 58.65 58.82 1vre h GLN 65 Cb 0.33 -0.03 -0.03 0.00 1.07 0.00 0.00 27.48 28.81 1vre h GLN 65 CO -0.41 0.10 0.40 0.82 -2.65 0.00 0.00 178.83 177.09 1vre h ILE 66 N 0.16 0.86 0.52 2.39 2.04 -1.09 -0.01 117.51 122.37 1vre h ILE 66 Ca 0.24 -0.11 -0.03 0.00 1.00 0.00 0.00 64.86 65.96 1vre h ILE 66 Cb 0.34 0.50 0.01 0.00 -0.74 0.00 0.00 36.82 36.93 1vre h ILE 66 CO -0.36 0.06 -0.25 1.23 0.00 0.00 0.00 178.15 178.83 1vre h GLY 67 N 0.32 -0.73 1.24 5.37 0.00 0.43 0.40 103.07 110.11 1vre h GLY 67 Ca 0.28 0.27 0.08 0.00 0.00 0.00 0.00 47.33 47.96 1vre h GLY 67 CO -0.07 -0.27 0.30 -2.08 0.00 0.00 0.00 176.54 174.42 1vre h VAL 68 N -1.05 0.47 0.00 4.60 2.07 -0.69 0.28 116.25 121.93 1vre h VAL 68 Ca -0.07 0.00 -0.16 0.00 0.82 0.00 0.00 66.70 67.29 1vre h VAL 68 Cb 0.61 0.77 -0.03 0.00 -1.52 0.00 0.00 31.29 31.12 1vre h VAL 68 CO 0.12 0.00 -1.05 0.00 0.02 0.00 0.00 177.57 176.66 1vre h ALA 69 N 1.68 0.63 0.00 1.67 0.00 -0.67 -3.26 119.26 119.30 1vre h ALA 69 Ca 0.14 -0.75 0.00 0.00 0.00 0.00 0.00 54.91 54.30 1vre h ALA 69 Cb 0.73 0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.63 1vre h ALA 69 CO -0.00 0.89 0.01 0.28 0.00 0.00 0.00 179.25 180.42 1vre h VAL 70 N 0.00 0.00 -0.33 0.00 2.07 0.36 1.00 116.25 119.35 1vre h VAL 70 Ca -0.09 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.43 1vre h VAL 70 Cb 1.56 0.93 0.00 0.00 -1.52 0.00 0.00 31.29 32.26 1vre h VAL 70 CO 0.06 0.00 0.00 -0.24 0.02 0.00 0.00 177.57 177.41 1vre n SER 71 N -2.98 1.76 -2.70 0.57 2.88 -1.20 -4.14 113.62 107.81 1vre n SER 71 Ca -0.03 -2.01 -0.09 0.00 -1.33 0.00 0.00 58.87 55.42 1vre n SER 71 Cb 0.07 -0.22 0.06 0.00 -0.75 0.00 0.00 64.21 63.37 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 0.45 -0.31 -0.02 0.66 8.25 0.34 -4.89 115.22 119.70 1vre n HIS 72 Ca 0.11 -2.50 -0.17 0.00 -0.26 0.00 0.00 57.72 54.90 1vre n HIS 72 Cb 0.28 0.39 -0.10 0.00 1.12 0.00 0.00 29.99 31.69 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 2.64 0.58 0.05 2.41 -0.00 -1.72 -3.28 115.31 115.99 1vre h LEU 73 Ca -0.16 -0.69 -0.32 0.00 -0.00 0.00 0.00 57.88 56.72 1vre h LEU 73 Cb 1.21 -0.17 -0.04 0.00 -0.00 0.00 0.00 40.66 41.66 1vre h LEU 73 CO 0.28 1.18 -1.79 1.23 -0.00 0.00 0.00 178.44 179.34 1vre h GLY 74 N 0.02 0.12 -6.78 0.83 0.00 -1.92 -3.39 103.07 91.94 1vre h GLY 74 Ca -0.05 -0.29 -0.80 0.00 0.00 0.00 0.00 47.33 46.19 1vre h GLY 74 CO 0.11 0.26 1.06 1.22 0.00 0.00 0.00 176.54 179.19 1vre n ASP 75 N -3.21 6.21 -0.87 0.19 9.92 -1.25 -4.74 116.55 122.79 1vre n ASP 75 Ca -0.22 -3.36 0.04 0.00 -0.53 0.00 0.00 54.79 50.72 1vre n ASP 75 Cb 1.05 -1.31 0.16 0.00 -0.64 0.00 0.00 41.12 40.38 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 1.79 2.26 0.13 -1.24 0.28 -1.23 -4.17 120.64 118.46 1vre n GLU 76 Ca 0.30 -1.26 0.14 0.00 -0.16 0.00 0.00 57.16 56.17 1vre n GLU 76 Cb 0.33 -1.57 0.66 0.00 1.43 0.00 0.00 31.44 32.29 1vre n GLU 76 CO 0.00 0.00 0.00 0.78 -0.16 0.00 0.00 177.13 177.75 1vre h GLY 77 N 4.90 0.01 0.00 -1.84 0.00 -1.90 -3.16 103.07 101.09 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 0.12 0.00 -1.00 1.17 0.00 0.00 0.00 176.54 176.83 1vre n LYS 78 N -4.46 2.83 -0.31 4.80 3.00 -1.26 -4.62 118.16 118.13 1vre n LYS 78 Ca 0.03 0.00 0.13 0.00 -0.00 0.00 0.00 58.31 58.47 1vre n LYS 78 Cb 0.34 -1.00 0.31 0.00 0.00 0.00 0.00 35.03 34.68 1vre n LYS 78 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 177.40 179.38 1vre h MET 79 N 0.00 0.47 0.00 1.64 4.05 -1.72 1.10 114.93 120.48 1vre h MET 79 Ca 0.00 -0.03 -0.05 0.00 -0.28 0.00 0.00 59.70 59.34 1vre h MET 79 Cb 0.71 -0.11 -0.01 0.00 -0.80 0.00 0.00 31.60 31.39 1vre h MET 79 CO 0.00 0.31 -0.26 0.28 0.23 0.00 0.00 176.91 177.48 1vre h VAL 80 N 0.49 0.85 -0.27 -5.77 2.07 -1.82 -1.18 116.25 110.62 1vre h VAL 80 Ca 0.57 -1.01 0.02 0.00 0.82 0.00 0.00 66.70 67.10 1vre h VAL 80 Cb 1.03 1.60 -0.03 0.00 -1.52 0.00 0.00 31.29 32.38 1vre h VAL 80 CO -0.49 0.25 0.11 0.00 0.02 0.00 0.00 177.57 177.46 1vre h ALA 81 N 1.74 0.31 0.03 1.67 0.00 0.10 0.89 119.26 124.00 1vre h ALA 81 Ca -0.00 0.02 -0.06 0.00 0.00 0.00 0.00 54.91 54.87 1vre h ALA 81 Cb 0.58 -0.01 0.01 0.00 0.00 0.00 0.00 17.79 18.37 1vre h ALA 81 CO 0.03 -0.29 -0.25 0.93 0.00 0.00 0.00 179.25 179.67 1vre h GLU 82 N 0.24 0.12 0.46 0.00 3.07 -1.33 -2.81 114.58 114.33 1vre h GLU 82 Ca 0.11 -0.16 -0.01 0.00 -0.50 0.00 0.00 59.36 58.80 1vre h GLU 82 Cb 0.06 0.06 -0.01 0.00 -0.84 0.00 0.00 28.75 28.01 1vre h GLU 82 CO -0.10 1.00 -0.35 0.52 -1.40 0.00 0.00 179.01 178.68 1vre h MET 83 N -0.69 -0.77 -0.90 2.33 2.86 -1.14 -0.32 114.93 116.30 1vre h MET 83 Ca -0.04 0.05 0.23 0.00 -2.06 0.00 0.00 59.70 57.89 1vre h MET 83 Cb 1.11 0.18 -0.05 0.00 0.06 0.00 0.00 31.60 32.89 1vre h MET 83 CO 0.05 -0.52 0.62 -0.22 1.06 0.00 0.00 176.91 177.90 1vre h LYS 84 N -0.80 0.22 -0.64 1.72 3.64 0.85 0.52 116.57 122.08 1vre h LYS 84 Ca -0.05 -0.01 -0.09 0.00 -1.27 0.00 0.00 60.65 59.23 1vre h LYS 84 Cb 0.69 -0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 32.43 1vre h LYS 84 CO 0.00 0.14 0.06 0.00 -2.27 0.00 0.00 179.45 177.38 1vre h ALA 85 N 1.59 0.89 -0.34 5.00 0.00 -0.83 -2.85 119.26 122.73 1vre h ALA 85 Ca 0.46 -0.29 0.07 0.00 0.00 0.00 0.00 54.91 55.15 1vre h ALA 85 Cb 1.42 -0.24 -0.07 0.00 0.00 0.00 0.00 17.79 18.91 1vre h ALA 85 CO -0.11 0.67 -0.10 0.28 0.00 0.00 0.00 179.25 179.99 1vre h VAL 86 N 1.00 0.64 -0.49 0.00 2.07 0.13 -1.09 116.25 118.52 1vre h VAL 86 Ca 0.19 0.00 0.10 0.00 0.82 0.00 0.00 66.70 67.81 1vre h VAL 86 Cb 0.49 0.64 -0.09 0.00 -1.52 0.00 0.00 31.29 30.81 1vre h VAL 86 CO 0.02 0.00 -0.10 1.23 0.02 0.00 0.00 177.57 178.74 1vre h GLY 87 N -0.02 0.38 0.33 2.17 0.00 -1.33 0.78 103.07 105.38 1vre h GLY 87 Ca 0.16 0.15 0.19 0.00 0.00 0.00 0.00 47.33 47.82 1vre h GLY 87 CO -0.36 -0.18 0.66 -2.08 0.00 0.00 0.00 176.54 174.58 1vre h VAL 88 N 0.02 0.30 0.03 4.60 2.07 0.56 0.18 116.25 124.01 1vre h VAL 88 Ca 0.24 0.00 -0.05 0.00 0.82 0.00 0.00 66.70 67.71 1vre h VAL 88 Cb 0.36 0.49 0.01 0.00 -1.52 0.00 0.00 31.29 30.62 1vre h VAL 88 CO -0.49 0.00 -0.20 0.03 0.02 0.00 0.00 177.57 176.93 1vre h ARG 89 N 0.00 0.09 -0.37 1.57 2.47 0.83 -3.22 114.38 115.74 1vre h ARG 89 Ca 0.30 -0.13 0.11 0.00 -1.26 0.00 0.00 59.98 59.00 1vre h ARG 89 Cb 1.61 0.05 -0.01 0.00 -1.65 0.00 0.00 29.97 29.96 1vre h ARG 89 CO -0.00 1.01 0.31 0.45 0.56 0.00 0.00 179.97 182.29 1vre h HIS 90 N -0.77 0.00 0.00 3.04 3.86 0.00 0.40 115.15 121.68 1vre h HIS 90 Ca -0.03 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.18 1vre h HIS 90 Cb 1.10 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.57 1vre h HIS 90 CO 0.24 0.00 0.00 1.17 0.86 0.00 0.00 177.93 180.20 1vre n LYS 91 N -4.15 0.00 -2.69 2.45 0.00 -0.50 -3.15 118.16 110.12 1vre n LYS 91 Ca 0.06 0.30 -0.11 0.00 0.00 0.00 0.00 58.31 58.57 1vre n LYS 91 Cb 0.49 -1.50 0.02 0.00 0.00 0.00 0.00 35.03 34.04 1vre n LYS 91 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1vre n GLY 92 N -0.31 1.93 0.00 3.14 0.00 0.14 -4.89 105.19 105.20 1vre n GLY 92 Ca 0.03 -1.41 0.00 0.00 0.00 0.00 0.00 46.02 44.64 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 -0.06 -2.36 -0.03 1.61 4.02 -1.19 -5.00 117.16 114.14 1vre n TYR 93 Ca 0.12 0.00 -0.13 0.00 -0.01 0.00 0.00 57.90 57.87 1vre n TYR 93 Cb 0.80 0.00 -0.11 0.00 -0.02 0.00 0.00 39.34 40.01 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 0.00 0.05 0.60 2.72 0.00 -1.93 -3.32 103.07 101.20 1vre h GLY 94 Ca 0.00 -0.07 -0.00 0.00 0.00 0.00 0.00 47.33 47.26 1vre h GLY 94 CO 0.00 0.06 -0.03 -0.57 0.00 0.00 0.00 176.54 176.00 1vre h ASN 95 N -0.58 -0.07 0.00 0.19 -1.24 -1.89 -3.46 115.58 108.53 1vre h ASN 95 Ca -0.00 -0.36 0.00 0.00 0.71 0.00 0.00 56.30 56.65 1vre h ASN 95 Cb 0.69 0.02 0.00 0.00 0.73 0.00 0.00 38.32 39.75 1vre h ASN 95 CO 0.01 0.33 0.00 1.17 -1.29 0.00 0.00 177.43 177.65 1vre n LYS 96 N -4.94 0.00 -0.57 6.67 4.81 -1.25 -4.78 118.16 118.10 1vre n LYS 96 Ca -0.08 0.00 -0.19 0.00 -0.87 0.00 0.00 58.31 57.17 1vre n LYS 96 Cb 0.22 -0.02 -0.02 0.00 0.02 0.00 0.00 35.03 35.24 1vre n LYS 96 CO 0.00 0.00 0.00 0.72 1.17 0.00 0.00 177.40 179.29 1vre n HIS 97 N 0.00 1.00 -3.06 5.64 8.25 -1.26 -4.87 115.22 120.92 1vre n HIS 97 Ca 0.00 -1.51 -0.25 0.00 -0.26 0.00 0.00 57.72 55.70 1vre n HIS 97 Cb 0.00 -1.36 -0.00 0.00 1.12 0.00 0.00 29.99 29.75 1vre n HIS 97 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 1vre s ILE 98 N 4.09 4.74 -0.00 1.59 1.01 -1.26 -4.97 121.20 126.40 1vre s ILE 98 Ca 0.31 -0.29 0.00 0.00 0.00 0.00 0.00 60.65 60.68 1vre s ILE 98 Cb 0.08 -3.76 0.00 0.00 0.01 0.00 0.00 42.46 38.79 1vre s ILE 98 CO 0.00 -0.58 -0.00 -0.54 0.00 0.00 0.00 174.94 173.82 1vre s LYS 99 N -4.51 0.02 0.00 2.79 3.01 -1.26 -4.90 119.74 114.89 1vre s LYS 99 Ca 0.44 0.00 0.29 0.00 -1.01 0.00 0.00 55.97 55.69 1vre s LYS 99 Cb -0.10 -0.04 1.45 0.00 -1.01 0.00 0.00 37.83 38.14 1vre s LYS 99 CO 0.39 -0.01 2.00 0.00 0.51 0.00 0.00 175.35 178.24 1vre n ALA 100 N 3.14 2.42 0.12 5.17 0.00 -1.26 -3.28 120.51 126.82 1vre n ALA 100 Ca -0.13 -0.13 -0.02 0.00 0.00 0.00 0.00 53.44 53.15 1vre n ALA 100 Cb 0.59 -1.47 0.19 0.00 0.00 0.00 0.00 19.45 18.77 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 0.14 -0.05 0.00 5.08 -2.01 -2.63 114.58 115.10 1vre h GLU 101 Ca 0.00 -0.08 0.00 0.00 -1.00 0.00 0.00 59.36 58.28 1vre h GLU 101 Cb 0.28 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.54 1vre h GLU 101 CO 0.00 0.63 0.00 0.66 -1.00 0.00 0.00 179.01 179.30 1vre n TYR 102 N -3.92 0.07 0.01 4.33 4.02 -1.21 -4.01 117.16 116.46 1vre n TYR 102 Ca -0.02 -0.03 -0.06 0.00 -0.01 0.00 0.00 57.90 57.78 1vre n TYR 102 Cb 0.55 0.00 -0.04 0.00 -0.02 0.00 0.00 39.34 39.83 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 0.63 -0.14 -0.01 -0.72 -1.00 -1.66 -1.99 116.94 112.06 1vre h PHE 103 Ca 0.00 -0.00 0.01 0.00 2.81 0.00 0.00 57.97 60.79 1vre h PHE 103 Cb 0.14 0.05 -0.01 0.00 3.61 0.00 0.00 35.95 39.73 1vre h PHE 103 CO 0.03 0.12 -0.06 0.93 -1.61 0.00 0.00 178.31 177.72 1vre h GLU 104 N -1.01 -0.10 0.38 1.51 5.08 -1.74 0.35 114.58 119.05 1vre h GLU 104 Ca -0.02 0.01 -0.00 0.00 -1.00 0.00 0.00 59.36 58.35 1vre h GLU 104 Cb 0.32 0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.57 1vre h GLU 104 CO 0.03 -0.07 -0.40 -1.35 -1.00 0.00 0.00 179.01 176.22 1vre h PRO 105 N -0.10 -0.77 0.00 2.33 0.11 -1.71 0.19 132.00 132.04 1vre h PRO 105 Ca 0.03 0.05 0.00 0.00 0.11 0.00 0.00 66.00 66.19 1vre h PRO 105 Cb 0.14 0.18 0.00 0.00 0.11 0.00 0.00 31.00 31.42 1vre h PRO 105 CO -0.07 -0.51 0.12 1.25 -0.21 0.00 0.00 178.00 178.58 1vre h LEU 106 N -0.80 0.00 0.00 2.35 7.12 -1.19 -1.83 115.31 120.96 1vre h LEU 106 Ca -0.03 0.00 -0.03 0.00 0.13 0.00 0.00 57.88 57.95 1vre h LEU 106 Cb 0.72 0.00 -0.00 0.00 -0.53 0.00 0.00 40.66 40.85 1vre h LEU 106 CO -0.08 0.00 -0.18 1.23 -0.13 0.00 0.00 178.44 179.28 1vre h GLY 107 N 0.00 0.00 0.78 3.75 0.00 0.14 -2.99 103.07 104.75 1vre h GLY 107 Ca 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.33 1vre h GLY 107 CO 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 176.54 176.31 1vre h ALA 108 N -0.18 -0.51 -0.21 3.60 0.00 -0.03 -0.54 119.26 121.40 1vre h ALA 108 Ca -0.05 -0.08 0.06 0.00 0.00 0.00 0.00 54.91 54.84 1vre h ALA 108 Cb 0.94 0.32 -0.01 0.00 0.00 0.00 0.00 17.79 19.04 1vre h ALA 108 CO -0.03 -0.81 0.25 1.03 0.00 0.00 0.00 179.25 179.69 1vre h SER 109 N -0.52 0.00 -0.26 0.00 0.87 -1.52 -0.99 113.55 111.13 1vre h SER 109 Ca -0.01 0.00 -0.06 0.00 -1.23 0.00 0.00 61.79 60.49 1vre h SER 109 Cb 0.47 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.42 1vre h SER 109 CO -0.03 0.00 -0.06 0.25 -0.53 0.00 0.00 176.83 176.46 1vre h LEU 110 N 0.00 0.51 -1.82 2.23 6.46 -0.94 -2.74 115.31 119.01 1vre h LEU 110 Ca 0.10 -0.36 0.10 0.00 -0.12 0.00 0.00 57.88 57.59 1vre h LEU 110 Cb 0.59 -0.14 -0.02 0.00 -0.73 0.00 0.00 40.66 40.36 1vre h LEU 110 CO -0.00 0.75 0.32 -0.07 -0.62 0.00 0.00 178.44 178.82 1vre h LEU 111 N 0.26 0.19 -1.22 2.25 3.38 -0.82 0.10 115.31 119.44 1vre h LEU 111 Ca 0.07 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.96 1vre h LEU 111 Cb 0.53 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.23 1vre h LEU 111 CO 0.03 0.12 -0.37 -1.28 0.09 0.00 0.00 178.44 177.02 1vre h SER 112 N 0.21 0.04 0.59 -0.43 0.87 -1.44 -2.95 113.55 110.44 1vre h SER 112 Ca 0.22 -0.01 -0.28 0.00 -1.23 0.00 0.00 61.79 60.48 1vre h SER 112 Cb 0.58 -0.01 -0.01 0.00 -0.44 0.00 0.00 62.40 62.51 1vre h SER 112 CO -0.04 0.41 -1.38 0.00 -0.53 0.00 0.00 176.83 175.29 1vre h ALA 113 N 1.60 0.27 -0.83 6.23 0.00 -0.77 -3.33 119.26 122.42 1vre h ALA 113 Ca 0.00 -1.04 0.21 0.00 0.00 0.00 0.00 54.91 54.08 1vre h ALA 113 Cb 0.67 0.15 -0.13 0.00 0.00 0.00 0.00 17.79 18.48 1vre h ALA 113 CO 0.05 1.14 0.18 0.52 0.00 0.00 0.00 179.25 181.14 1vre h MET 114 N 0.05 0.20 -0.31 0.00 2.07 -1.07 0.71 114.93 116.58 1vre h MET 114 Ca -0.18 -0.01 0.09 0.00 -2.07 0.00 0.00 59.70 57.53 1vre h MET 114 Cb 1.97 -0.04 -0.01 0.00 -1.87 0.00 0.00 31.60 31.64 1vre h MET 114 CO 0.16 0.13 0.55 1.05 1.07 0.00 0.00 176.91 179.88 1vre h GLU 115 N 0.20 0.00 -0.42 1.72 4.11 -1.67 -0.32 114.58 118.20 1vre h GLU 115 Ca 0.50 0.00 0.04 0.00 0.07 0.00 0.00 59.36 59.97 1vre h GLU 115 Cb 0.96 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 30.16 1vre h GLU 115 CO -0.63 0.00 0.18 0.45 0.07 0.00 0.00 179.01 179.08 1vre h HIS 116 N 0.00 0.32 0.20 2.06 3.86 0.22 1.13 115.15 122.95 1vre h HIS 116 Ca 0.15 0.02 -0.01 0.00 -1.16 0.00 0.00 60.37 59.37 1vre h HIS 116 Cb 1.25 -0.08 0.00 0.00 1.06 0.00 0.00 27.41 29.64 1vre h HIS 116 CO 0.00 0.15 -0.10 -0.09 0.86 0.00 0.00 177.93 178.75 1vre h ARG 117 N 0.36 -0.26 -1.87 2.45 2.43 -1.21 -3.31 114.38 112.97 1vre h ARG 117 Ca 0.19 0.02 -0.76 0.00 -0.81 0.00 0.00 59.98 58.62 1vre h ARG 117 Cb 0.14 0.06 -0.27 0.00 -0.42 0.00 0.00 29.97 29.48 1vre h ARG 117 CO -0.16 0.10 1.04 0.44 -1.51 0.00 0.00 179.97 179.88 1vre n ILE 118 N -4.96 3.60 -1.54 1.20 -5.35 -1.17 -4.96 119.36 106.18 1vre n ILE 118 Ca -0.07 -4.11 -0.38 0.00 -0.27 0.00 0.00 62.75 57.92 1vre n ILE 118 Cb 0.24 -1.23 -0.05 0.00 -1.74 0.00 0.00 39.64 36.86 1vre n ILE 118 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1vre n GLY 119 N -0.58 0.12 0.00 3.28 0.00 0.39 -1.17 105.19 107.23 1vre n GLY 119 Ca 0.55 0.76 0.00 0.00 0.00 0.00 0.00 46.02 47.33 1vre n GLY 119 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1vre n GLY 120 N 6.11 3.83 0.14 -0.02 0.00 -1.26 -4.88 105.19 109.11 1vre n GLY 120 Ca 0.42 -0.88 0.04 0.00 0.00 0.00 0.00 46.02 45.60 1vre n GLY 120 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1vre h LYS 121 N 0.00 0.00 -5.29 1.61 1.79 -1.53 -3.40 116.57 109.75 1vre h LYS 121 Ca 0.00 0.00 -0.22 0.00 -2.18 0.00 0.00 60.65 58.25 1vre h LYS 121 Cb 0.00 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 30.63 1vre h LYS 121 CO 0.00 0.36 0.71 -0.12 -1.08 0.00 0.00 179.45 179.33 1vre n MET 122 N -3.12 1.01 -2.12 3.15 1.56 -0.97 -4.85 117.12 111.78 1vre n MET 122 Ca 0.00 -2.15 -0.22 0.00 -0.27 0.00 0.00 57.70 55.06 1vre n MET 122 Cb 0.71 -3.78 0.13 0.00 2.15 0.00 0.00 33.22 32.44 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 16.28 0.83 -0.16 6.12 2.04 -1.26 -4.79 115.26 134.31 1vre n ASN 123 Ca 0.44 -1.81 0.13 0.00 -0.44 0.00 0.00 54.58 52.89 1vre n ASN 123 Cb 0.46 -0.69 0.47 0.00 -2.53 0.00 0.00 39.78 37.50 1vre n ASN 123 CO 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 177.26 176.82 1vre h ALA 124 N -1.01 2.00 0.00 -2.53 0.00 -1.99 0.47 119.26 116.20 1vre h ALA 124 Ca -0.32 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.58 1vre h ALA 124 Cb 1.07 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.77 1vre h ALA 124 CO 0.30 -0.18 0.00 0.00 0.00 0.00 0.00 179.25 179.37 1vre n ALA 125 N -2.50 1.58 -0.10 0.00 0.00 -1.26 -0.91 120.51 117.32 1vre n ALA 125 Ca 0.13 0.09 -0.21 0.00 0.00 0.00 0.00 53.44 53.45 1vre n ALA 125 Cb 0.44 -1.37 -0.11 0.00 0.00 0.00 0.00 19.45 18.42 1vre n ALA 125 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1vre n ALA 126 N -1.76 0.78 0.19 0.00 0.00 0.16 -2.44 120.51 117.45 1vre n ALA 126 Ca 0.02 -0.51 0.05 0.00 0.00 0.00 0.00 53.44 52.99 1vre n ALA 126 Cb 0.20 -0.49 0.38 0.00 0.00 0.00 0.00 19.45 19.55 1vre n ALA 126 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 177.50 179.07 1vre h LYS 127 N -1.00 0.00 0.01 0.00 2.10 -1.41 -1.69 116.57 114.58 1vre h LYS 127 Ca -0.34 0.00 -0.00 0.00 -2.00 0.00 0.00 60.65 58.31 1vre h LYS 127 Cb 1.27 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.60 1vre h LYS 127 CO -0.21 0.37 -0.01 0.22 -2.00 0.00 0.00 179.45 177.82 1vre h ASP 128 N 0.00 -0.01 0.20 7.07 1.82 -1.19 -1.87 116.42 122.44 1vre h ASP 128 Ca -0.00 -0.71 0.01 0.00 -0.39 0.00 0.00 57.03 55.93 1vre h ASP 128 Cb 0.75 0.00 -0.02 0.00 0.68 0.00 0.00 39.33 40.74 1vre h ASP 128 CO 0.05 0.82 -0.24 0.00 -1.61 0.00 0.00 179.24 178.26 1vre h ALA 129 N -0.23 -0.47 0.00 -0.78 0.00 -1.48 -0.85 119.26 115.45 1vre h ALA 129 Ca -0.00 -0.06 -0.03 0.00 0.00 0.00 0.00 54.91 54.82 1vre h ALA 129 Cb 0.72 0.36 -0.00 0.00 0.00 0.00 0.00 17.79 18.87 1vre h ALA 129 CO 0.00 -0.80 -0.14 -1.49 0.00 0.00 0.00 179.25 176.83 1vre h TRP 130 N -0.50 0.00 0.00 0.00 4.06 -1.45 0.05 115.95 118.11 1vre h TRP 130 Ca 0.01 0.00 -0.05 0.00 2.06 0.00 0.00 58.89 60.91 1vre h TRP 130 Cb 0.48 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 28.63 1vre h TRP 130 CO -0.19 0.14 -0.23 0.00 -3.56 0.00 0.00 178.44 174.60 1vre h ALA 131 N 1.86 1.17 0.14 1.49 0.00 -0.33 0.18 119.26 123.77 1vre h ALA 131 Ca -0.00 -0.21 -0.32 0.00 0.00 0.00 0.00 54.91 54.39 1vre h ALA 131 Cb 0.28 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.03 1vre h ALA 131 CO 0.02 0.29 -1.60 0.00 0.00 0.00 0.00 179.25 177.95 1vre h ALA 132 N 1.77 0.19 0.31 0.00 0.00 0.24 -3.28 119.26 118.48 1vre h ALA 132 Ca -0.00 -1.14 -0.02 0.00 0.00 0.00 0.00 54.91 53.75 1vre h ALA 132 Cb 0.60 0.49 0.00 0.00 0.00 0.00 0.00 17.79 18.88 1vre h ALA 132 CO 0.03 0.95 -0.15 0.00 0.00 0.00 0.00 179.25 180.08 1vre h ALA 133 N 0.02 -0.41 -1.00 0.00 0.00 -1.08 -2.95 119.26 113.84 1vre h ALA 133 Ca -0.33 -0.19 0.29 0.00 0.00 0.00 0.00 54.91 54.68 1vre h ALA 133 Cb 1.92 0.16 -0.04 0.00 0.00 0.00 0.00 17.79 19.83 1vre h ALA 133 CO 0.11 -0.48 0.85 1.88 0.00 0.00 0.00 179.25 181.61 1vre h TYR 134 N -0.92 0.00 -0.17 0.00 -1.99 -0.84 0.71 116.97 113.76 1vre h TYR 134 Ca -0.04 0.00 -0.14 0.00 2.00 0.00 0.00 58.73 60.55 1vre h TYR 134 Cb 0.51 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.25 1vre h TYR 134 CO 0.04 0.00 -0.43 0.00 -0.00 0.00 0.00 178.16 177.77 1vre h ALA 135 N 1.24 0.28 -0.01 3.88 0.00 -1.59 -0.32 119.26 122.75 1vre h ALA 135 Ca 0.48 -0.47 -0.23 0.00 0.00 0.00 0.00 54.91 54.69 1vre h ALA 135 Cb 2.18 -0.04 0.01 0.00 0.00 0.00 0.00 17.79 19.93 1vre h ALA 135 CO -0.01 0.40 -0.95 -0.44 0.00 0.00 0.00 179.25 178.26 1vre h ASP 136 N 0.25 0.61 0.58 0.00 5.19 0.35 0.86 116.42 124.25 1vre h ASP 136 Ca -0.01 -0.48 -0.03 0.00 -0.62 0.00 0.00 57.03 55.90 1vre h ASP 136 Cb 1.04 -0.19 0.01 0.00 0.18 0.00 0.00 39.33 40.37 1vre h ASP 136 CO 0.09 1.28 -0.28 0.40 -3.12 0.00 0.00 179.24 177.61 1vre h ILE 137 N 0.27 0.20 0.00 0.35 5.03 -0.33 0.17 117.51 123.19 1vre h ILE 137 Ca -0.09 -0.40 -0.03 0.00 -0.12 0.00 0.00 64.86 64.22 1vre h ILE 137 Cb 1.59 0.28 -0.00 0.00 -3.03 0.00 0.00 36.82 35.65 1vre h ILE 137 CO 0.17 0.03 -0.14 0.77 -0.68 0.00 0.00 178.15 178.30 1vre h SER 138 N -1.10 0.00 1.03 1.72 4.64 -1.15 -2.17 113.55 116.51 1vre h SER 138 Ca -0.08 0.00 -0.17 0.00 -0.47 0.00 0.00 61.79 61.07 1vre h SER 138 Cb 0.64 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.71 1vre h SER 138 CO 0.13 0.14 -0.80 1.23 -0.87 0.00 0.00 176.83 176.66 1vre h GLY 139 N 1.25 0.00 2.00 -0.77 0.00 -0.68 -3.12 103.07 101.75 1vre h GLY 139 Ca -0.00 0.00 -0.04 0.00 0.00 0.00 0.00 47.33 47.29 1vre h GLY 139 CO 0.02 0.00 -0.19 0.00 0.00 0.00 0.00 176.54 176.37 1vre h ALA 140 N 1.20 0.98 -0.23 3.60 0.00 0.00 -2.67 119.26 122.13 1vre h ALA 140 Ca -0.01 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.73 1vre h ALA 140 Cb 1.54 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.30 1vre h ALA 140 CO 0.10 0.23 0.00 -0.11 0.00 0.00 0.00 179.25 179.48 1vre n LEU 141 N -3.28 1.49 -1.85 0.00 0.00 -1.14 -3.25 117.00 108.97 1vre n LEU 141 Ca 0.01 -0.75 0.07 0.00 0.00 0.00 0.00 56.01 55.34 1vre n LEU 141 Cb 0.45 -0.23 0.40 0.00 0.00 0.00 0.00 43.42 44.05 1vre n LEU 141 CO 0.33 0.33 0.87 -0.38 0.00 0.00 0.00 177.39 178.54 1vre n ILE 142 N 0.21 2.65 -0.07 1.96 2.08 -1.01 -4.07 119.36 121.11 1vre n ILE 142 Ca 0.08 -1.39 -0.15 0.00 0.56 0.00 0.00 62.75 61.85 1vre n ILE 142 Cb 0.26 -0.22 -0.05 0.00 -0.75 0.00 0.00 39.64 38.88 1vre n ILE 142 CO 0.00 0.00 0.00 -1.20 0.56 0.00 0.00 176.55 175.91 1vre n SER 143 N 0.68 1.28 0.00 4.38 7.64 -1.24 -4.52 113.62 121.83 1vre n SER 143 Ca 0.28 0.22 0.12 0.00 1.01 0.00 0.00 58.87 60.49 1vre n SER 143 Cb 1.16 -0.51 0.55 0.00 -1.01 0.00 0.00 64.21 64.40 1vre n SER 143 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1vre n GLY 144 N 2.05 -1.19 0.00 0.23 0.00 -1.16 -4.75 105.19 100.36 1vre n GLY 144 Ca -0.26 -0.10 0.00 0.00 0.00 0.00 0.00 46.02 45.66 1vre n GLY 144 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1vre n LEU 145 N -1.39 0.00 -3.66 0.99 7.94 -1.25 -0.46 117.00 119.18 1vre n LEU 145 Ca 0.09 0.00 -0.22 0.00 -1.11 0.00 0.00 56.01 54.77 1vre n LEU 145 Cb 0.23 0.00 0.05 0.00 0.53 0.00 0.00 43.42 44.23 1vre n LEU 145 CO 0.20 0.00 0.03 0.00 -1.11 0.00 0.00 177.39 176.51 1vre n GLN 146 N 0.00 -5.68 -0.42 1.96 3.00 -1.26 -4.88 117.38 110.10 1vre n GLN 146 Ca 0.00 0.69 0.00 0.00 -0.01 0.00 0.00 57.00 57.68 1vre n GLN 146 Cb 0.00 -5.45 0.00 0.00 0.00 0.00 0.00 30.24 24.79 1vre n GLN 146 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.06 177.49