#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 -2.27 -4.38 0.99 7.99 -1.26 -4.98 117.00 113.09 1vre n LEU 2 Ca 0.00 3.29 -0.19 0.00 -0.01 0.00 0.00 56.01 59.10 1vre n LEU 2 Cb 0.00 -3.36 -0.10 0.00 -0.11 0.00 0.00 43.42 39.84 1vre n LEU 2 CO 0.00 0.26 -0.28 -0.94 -1.51 0.00 0.00 177.39 174.92 1vre s SER 3 N -3.89 1.89 0.30 -1.43 1.04 -1.26 -4.94 113.70 105.41 1vre s SER 3 Ca 0.00 -1.33 0.02 0.00 0.48 0.00 0.00 55.95 55.11 1vre s SER 3 Cb 0.00 0.01 0.56 0.00 0.10 0.00 0.00 66.02 66.69 1vre s SER 3 CO 0.00 -0.61 1.90 0.00 0.98 0.00 0.00 173.24 175.50 1vre h ALA 4 N 2.29 1.54 0.36 5.32 0.00 -1.98 0.37 119.26 127.17 1vre h ALA 4 Ca -0.39 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.48 1vre h ALA 4 Cb 1.24 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.79 1vre h ALA 4 CO 0.66 0.30 -0.17 0.00 0.00 0.00 0.00 179.25 180.03 1vre h ALA 5 N 1.52 -0.48 0.46 0.00 0.00 -1.98 -1.97 119.26 116.80 1vre h ALA 5 Ca 0.41 -0.19 -0.02 0.00 0.00 0.00 0.00 54.91 55.12 1vre h ALA 5 Cb 0.29 0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.26 1vre h ALA 5 CO -0.17 -0.54 -0.29 1.96 0.00 0.00 0.00 179.25 180.21 1vre h GLN 6 N -0.95 -0.70 -1.02 0.00 4.20 -1.86 0.28 115.11 115.07 1vre h GLN 6 Ca -0.05 0.05 0.25 0.00 0.06 0.00 0.00 58.65 58.96 1vre h GLN 6 Cb 0.53 0.16 -0.10 0.00 0.30 0.00 0.00 27.48 28.36 1vre h GLN 6 CO 0.08 -0.46 0.64 -0.09 -0.67 0.00 0.00 178.83 178.32 1vre h ARG 7 N -0.72 0.48 -0.10 1.46 2.43 -0.37 0.26 114.38 117.82 1vre h ARG 7 Ca -0.05 -0.03 -0.23 0.00 -0.81 0.00 0.00 59.98 58.87 1vre h ARG 7 Cb 0.60 -0.11 0.01 0.00 -0.42 0.00 0.00 29.97 30.05 1vre h ARG 7 CO 0.04 0.32 -0.82 0.37 -1.51 0.00 0.00 179.97 178.37 1vre h GLN 8 N 0.49 0.73 0.00 0.20 5.75 -0.54 -3.02 115.11 118.72 1vre h GLN 8 Ca 0.61 -0.65 -0.03 0.00 -0.15 0.00 0.00 58.65 58.43 1vre h GLN 8 Cb 1.35 0.15 -0.00 0.00 1.07 0.00 0.00 27.48 30.05 1vre h GLN 8 CO -0.36 1.25 -0.12 0.28 -2.65 0.00 0.00 178.83 177.23 1vre h VAL 9 N 0.43 0.57 -0.18 2.39 2.07 0.27 -2.07 116.25 119.73 1vre h VAL 9 Ca -0.08 -0.54 -0.13 0.00 0.82 0.00 0.00 66.70 66.77 1vre h VAL 9 Cb 1.46 1.35 -0.01 0.00 -1.52 0.00 0.00 31.29 32.58 1vre h VAL 9 CO 0.17 0.12 -0.46 0.58 0.02 0.00 0.00 177.57 178.00 1vre h VAL 10 N 0.00 1.32 0.00 2.57 2.07 -0.59 -2.50 116.25 119.12 1vre h VAL 10 Ca -0.00 -1.66 0.00 0.00 0.82 0.00 0.00 66.70 65.86 1vre h VAL 10 Cb 0.34 1.68 0.00 0.00 -1.52 0.00 0.00 31.29 31.80 1vre h VAL 10 CO 0.02 0.51 -0.01 0.00 0.02 0.00 0.00 177.57 178.11 1vre n ALA 11 N -2.49 2.31 0.12 1.67 0.00 -0.80 -2.40 120.51 118.91 1vre n ALA 11 Ca -0.02 -0.05 0.11 0.00 0.00 0.00 0.00 53.44 53.48 1vre n ALA 11 Cb 0.54 -1.47 -0.02 0.00 0.00 0.00 0.00 19.45 18.50 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 -2.00 0.70 -0.00 0.00 2.88 -1.00 -3.64 113.62 110.55 1vre n SER 12 Ca 0.06 0.25 0.10 0.00 -1.33 0.00 0.00 58.87 57.94 1vre n SER 12 Cb 0.40 0.70 -0.13 0.00 -0.75 0.00 0.00 64.21 64.42 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 -2.56 0.00 0.02 2.46 -2.24 -0.98 -4.35 114.28 106.62 1vre n THR 13 Ca -0.00 -0.24 -0.12 0.00 -2.27 0.00 0.00 64.05 61.42 1vre n THR 13 Cb 0.54 0.53 -0.14 0.00 -2.10 0.00 0.00 70.33 69.17 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 0.16 0.00 4.78 7.01 -1.62 -2.99 115.95 123.29 1vre h TRP 14 Ca 0.00 -0.11 0.00 0.00 2.11 0.00 0.00 58.89 60.89 1vre h TRP 14 Cb 0.69 -0.01 0.00 0.00 -2.10 0.00 0.00 29.16 27.75 1vre h TRP 14 CO 0.00 1.17 0.00 1.63 -2.79 0.00 0.00 178.44 178.45 1vre n LYS 15 N -3.24 0.08 -0.08 2.65 5.02 -1.24 -1.14 118.16 120.21 1vre n LYS 15 Ca -0.15 0.33 -0.08 0.00 -2.02 0.00 0.00 58.31 56.39 1vre n LYS 15 Cb 1.03 -1.66 -0.03 0.00 -0.02 0.00 0.00 35.03 34.36 1vre n LYS 15 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 1vre n ASP 16 N -1.81 1.74 -0.30 4.39 8.00 -1.24 -3.59 116.55 123.73 1vre n ASP 16 Ca 0.03 0.32 -0.04 0.00 0.71 0.00 0.00 54.79 55.81 1vre n ASP 16 Cb 0.19 -0.73 0.07 0.00 -0.02 0.00 0.00 41.12 40.64 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 -0.90 1.24 -0.82 0.53 2.04 -1.60 -1.81 117.51 116.19 1vre h ILE 17 Ca 0.00 -0.55 -0.45 0.00 1.00 0.00 0.00 64.86 64.87 1vre h ILE 17 Cb 0.87 0.10 -0.25 0.00 -0.74 0.00 0.00 36.82 36.79 1vre h ILE 17 CO 0.00 0.25 0.57 0.00 0.00 0.00 0.00 178.15 178.97 1vre n ALA 18 N -2.37 5.19 0.00 1.87 0.00 -0.29 -4.13 120.51 120.79 1vre n ALA 18 Ca 0.08 -2.45 -0.00 0.00 0.00 0.00 0.00 53.44 51.07 1vre n ALA 18 Cb 0.07 -1.41 -0.00 0.00 0.00 0.00 0.00 19.45 18.11 1vre n ALA 18 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 1vre h GLY 19 N 1.66 -0.76 0.00 0.00 0.00 -1.38 -3.06 103.07 99.52 1vre h GLY 19 Ca 0.52 0.33 -0.18 0.00 0.00 0.00 0.00 47.33 48.00 1vre h GLY 19 CO 0.97 -0.29 -1.69 -1.14 0.00 0.00 0.00 176.54 174.40 1vre n SER 20 N -2.31 2.69 0.22 0.19 3.41 -1.26 -4.48 113.62 112.08 1vre n SER 20 Ca -0.00 -0.02 0.14 0.00 -0.26 0.00 0.00 58.87 58.73 1vre n SER 20 Cb 0.00 0.49 0.44 0.00 -0.26 0.00 0.00 64.21 64.89 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 -1.25 4.04 2.03 -1.80 -3.46 116.42 115.97 1vre h ASP 21 Ca -0.27 0.00 -0.42 0.00 -0.73 0.00 0.00 57.03 55.61 1vre h ASP 21 Cb 1.56 0.00 -0.15 0.00 -0.83 0.00 0.00 39.33 39.91 1vre h ASP 21 CO -0.00 0.00 -0.39 -3.20 -1.03 0.00 0.00 179.24 174.62 1vre n ASN 22 N -2.93 -5.41 -0.02 4.15 5.15 -1.15 -1.82 115.26 113.22 1vre n ASN 22 Ca 0.03 0.45 0.00 0.00 -0.60 0.00 0.00 54.58 54.45 1vre n ASN 22 Cb 0.40 -4.76 0.00 0.00 -0.53 0.00 0.00 39.78 34.89 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 -0.45 1.44 0.07 8.20 0.00 -1.26 -3.86 105.19 109.34 1vre n GLY 23 Ca -0.21 -0.08 -0.08 0.00 0.00 0.00 0.00 46.02 45.65 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 0.05 0.00 4.61 0.00 -1.64 -3.18 119.26 119.10 1vre h ALA 24 Ca 0.00 -0.50 0.00 0.00 0.00 0.00 0.00 54.91 54.41 1vre h ALA 24 Cb 0.11 0.32 0.00 0.00 0.00 0.00 0.00 17.79 18.21 1vre h ALA 24 CO 0.00 0.31 0.00 0.41 0.00 0.00 0.00 179.25 179.97 1vre n GLY 25 N 1.63 -1.14 0.02 0.00 0.00 -1.26 -1.48 105.19 102.96 1vre n GLY 25 Ca -0.10 0.13 0.12 0.00 0.00 0.00 0.00 46.02 46.16 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 -2.25 0.11 -0.13 1.61 0.31 -1.25 -3.24 118.33 113.48 1vre n VAL 26 Ca 0.01 -0.09 -0.20 0.00 -0.01 0.00 0.00 64.34 64.05 1vre n VAL 26 Cb 0.16 0.10 -0.12 0.00 -0.91 0.00 0.00 33.84 33.08 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 1.45 -0.37 0.22 2.92 0.00 -0.55 -3.43 105.19 105.43 1vre n GLY 27 Ca 0.05 -0.16 0.11 0.00 0.00 0.00 0.00 46.02 46.01 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 -0.18 0.00 0.00 1.61 2.10 -1.64 -2.36 116.57 116.11 1vre h LYS 28 Ca -0.60 0.00 -0.06 0.00 -2.00 0.00 0.00 60.65 57.99 1vre h LYS 28 Cb 1.85 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 33.17 1vre h LYS 28 CO -0.15 0.16 -1.36 -0.85 -2.00 0.00 0.00 179.45 175.25 1vre n GLU 29 N -3.22 0.62 -0.01 0.07 0.28 -1.20 -3.82 120.64 113.36 1vre n GLU 29 Ca 0.02 0.08 -0.01 0.00 -0.16 0.00 0.00 57.16 57.09 1vre n GLU 29 Cb 0.48 -1.75 -0.00 0.00 1.43 0.00 0.00 31.44 31.59 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 -0.20 0.33 -0.16 0.00 0.04 -1.67 0.11 116.94 115.40 1vre h PHE 31 Ca 0.00 0.01 0.05 0.00 2.80 0.00 0.00 57.97 60.83 1vre h PHE 31 Cb 0.07 -0.09 -0.05 0.00 2.20 0.00 0.00 35.95 38.08 1vre h PHE 31 CO -0.03 -0.02 -0.17 1.79 -0.60 0.00 0.00 178.31 179.28 1vre h THR 32 N 0.16 0.54 -0.27 -1.55 1.35 -1.73 -0.49 112.91 110.92 1vre h THR 32 Ca 0.65 0.00 -0.03 0.00 -0.55 0.00 0.00 66.41 66.48 1vre h THR 32 Cb 2.18 0.54 -0.01 0.00 -1.73 0.00 0.00 68.15 69.13 1vre h THR 32 CO -0.19 0.00 0.04 0.11 -0.25 0.00 0.00 175.52 175.23 1vre h LYS 33 N -0.20 0.45 -0.55 4.72 1.57 -0.92 -2.64 116.57 119.00 1vre h LYS 33 Ca 0.11 -0.12 0.11 0.00 -1.87 0.00 0.00 60.65 58.88 1vre h LYS 33 Cb 0.36 -0.05 -0.10 0.00 0.08 0.00 0.00 32.23 32.52 1vre h LYS 33 CO -0.28 0.56 -0.09 0.35 -0.57 0.00 0.00 179.45 179.42 1vre h PHE 34 N 0.26 -0.20 -0.40 -1.35 3.57 -0.94 0.51 116.94 118.39 1vre h PHE 34 Ca 0.08 0.05 0.03 0.00 3.53 0.00 0.00 57.97 61.66 1vre h PHE 34 Cb 0.33 0.18 -0.03 0.00 2.79 0.00 0.00 35.95 39.21 1vre h PHE 34 CO 0.02 -0.20 0.20 -0.07 -2.23 0.00 0.00 178.31 176.02 1vre h LEU 35 N 0.04 0.29 0.62 0.59 3.38 -0.96 0.51 115.31 119.78 1vre h LEU 35 Ca 0.27 0.02 -0.03 0.00 0.09 0.00 0.00 57.88 58.23 1vre h LEU 35 Cb 0.42 -0.03 0.01 0.00 0.09 0.00 0.00 40.66 41.15 1vre h LEU 35 CO -0.53 0.21 -0.30 0.28 0.09 0.00 0.00 178.44 178.19 1vre h SER 36 N 0.40 -0.70 -0.47 -0.43 0.02 -0.66 -2.72 113.55 108.99 1vre h SER 36 Ca 0.17 0.02 0.14 0.00 -0.84 0.00 0.00 61.79 61.28 1vre h SER 36 Cb 0.08 0.18 -0.02 0.00 0.14 0.00 0.00 62.40 62.78 1vre h SER 36 CO -0.12 -0.41 0.43 0.00 -1.14 0.00 0.00 176.83 175.59 1vre h ALA 37 N -1.44 2.25 -3.58 3.77 0.00 -0.01 -3.28 119.26 116.97 1vre h ALA 37 Ca -0.08 -0.02 -0.65 0.00 0.00 0.00 0.00 54.91 54.16 1vre h ALA 37 Cb 0.64 0.03 -0.40 0.00 0.00 0.00 0.00 17.79 18.06 1vre h ALA 37 CO 0.14 -0.67 -0.70 -1.01 0.00 0.00 0.00 179.25 177.01 1vre s HIS 38 N -4.74 3.53 -2.09 0.00 3.76 0.18 -4.93 115.29 111.00 1vre s HIS 38 Ca -0.05 -3.01 0.19 0.00 -0.15 0.00 0.00 55.06 52.05 1vre s HIS 38 Cb 0.17 -2.85 1.00 0.00 1.11 0.00 0.00 32.58 32.01 1vre s HIS 38 CO 0.61 -0.89 1.67 0.72 -0.85 0.00 0.00 174.74 176.00 1vre n HIS 39 N 3.96 0.06 0.68 1.40 -0.00 -1.19 -3.29 115.22 116.84 1vre n HIS 39 Ca 0.04 -0.03 0.11 0.00 -0.00 0.00 0.00 57.72 57.84 1vre n HIS 39 Cb 0.39 0.00 0.02 0.00 -0.00 0.00 0.00 29.99 30.40 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 -0.44 0.64 -0.00 0.41 5.75 -1.26 -4.26 116.55 117.38 1vre n ASP 40 Ca 0.15 -0.35 0.04 0.00 -0.01 0.00 0.00 54.79 54.61 1vre n ASP 40 Cb 0.15 0.82 -0.06 0.00 -1.03 0.00 0.00 41.12 41.00 1vre n ASP 40 CO 0.00 0.00 0.00 0.23 -0.11 0.00 0.00 177.20 177.32 1vre n MET 41 N -1.83 0.56 -0.34 0.11 2.81 -1.21 -4.59 117.12 112.63 1vre n MET 41 Ca 0.02 -0.07 0.18 0.00 -1.81 0.00 0.00 57.70 56.03 1vre n MET 41 Cb 0.41 -1.16 0.39 0.00 -0.71 0.00 0.00 33.22 32.15 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 0.74 1.78 0.00 3.04 0.00 -1.73 1.40 119.26 124.50 1vre h ALA 42 Ca 0.00 0.14 -0.01 0.00 0.00 0.00 0.00 54.91 55.05 1vre h ALA 42 Cb 0.34 0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.19 1vre h ALA 42 CO 0.00 -0.34 -0.04 0.00 0.00 0.00 0.00 179.25 178.87 1vre h ALA 43 N 1.75 0.99 0.11 0.00 0.00 -1.81 -1.34 119.26 118.97 1vre h ALA 43 Ca 0.65 -0.03 -0.28 0.00 0.00 0.00 0.00 54.91 55.25 1vre h ALA 43 Cb 1.30 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 19.08 1vre h ALA 43 CO -0.51 0.05 -1.30 0.28 0.00 0.00 0.00 179.25 177.77 1vre h VAL 44 N 0.00 1.42 0.00 0.00 2.07 0.16 -3.22 116.25 116.68 1vre h VAL 44 Ca -0.00 -3.03 0.00 0.00 0.82 0.00 0.00 66.70 64.49 1vre h VAL 44 Cb 0.69 2.89 0.00 0.00 -1.52 0.00 0.00 31.29 33.35 1vre h VAL 44 CO 0.00 0.87 0.00 0.49 0.02 0.00 0.00 177.57 178.96 1vre n PHE 45 N -3.49 0.31 -0.74 1.57 3.01 -0.21 -4.63 117.46 113.28 1vre n PHE 45 Ca -0.10 0.10 0.00 0.00 1.01 0.00 0.00 57.45 58.46 1vre n PHE 45 Cb 1.02 -0.66 0.00 0.00 -0.01 0.00 0.00 39.48 39.83 1vre n PHE 45 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1vre n GLY 46 N 0.99 0.98 3.48 1.37 0.00 -1.13 -4.98 105.19 105.91 1vre n GLY 46 Ca 0.05 -0.47 -0.23 0.00 0.00 0.00 0.00 46.02 45.37 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 2.09 -0.17 1.61 0.08 -0.52 -4.98 117.98 114.10 1vre s PHE 47 Ca 0.00 -0.82 0.13 0.00 0.12 0.00 0.00 56.93 56.36 1vre s PHE 47 Cb 0.00 -1.36 -0.19 0.00 -0.57 0.00 0.00 43.02 40.91 1vre s PHE 47 CO 0.00 0.18 0.35 0.45 -0.10 0.00 0.00 175.22 176.11 1vre n SER 48 N -0.73 1.63 -0.16 1.36 2.88 -1.26 -3.78 113.62 113.56 1vre n SER 48 Ca -0.04 -0.21 0.00 0.00 -1.33 0.00 0.00 58.87 57.29 1vre n SER 48 Cb 0.66 1.44 0.00 0.00 -0.75 0.00 0.00 64.21 65.56 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 1.64 1.42 1.99 0.46 0.00 -1.26 -4.97 105.19 104.46 1vre n GLY 49 Ca -0.01 -0.69 -0.16 0.00 0.00 0.00 0.00 46.02 45.16 1vre n GLY 49 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1vre n ALA 50 N -3.00 4.90 0.04 4.61 0.00 -1.26 -4.04 120.51 121.75 1vre n ALA 50 Ca 0.00 -2.33 0.01 0.00 0.00 0.00 0.00 53.44 51.12 1vre n ALA 50 Cb 0.00 -1.34 -0.02 0.00 0.00 0.00 0.00 19.45 18.10 1vre n ALA 50 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1vre n SER 51 N -0.66 2.90 -4.77 0.00 3.41 -1.26 -4.88 113.62 108.36 1vre n SER 51 Ca 0.46 -0.20 -0.39 0.00 -0.26 0.00 0.00 58.87 58.49 1vre n SER 51 Cb 1.43 1.06 -0.03 0.00 -0.26 0.00 0.00 64.21 66.41 1vre n SER 51 CO 0.00 0.00 0.00 1.51 -0.16 0.00 0.00 175.04 176.39 1vre s ASP 52 N -1.87 6.89 0.39 4.04 -4.77 -1.26 -4.91 116.67 115.18 1vre s ASP 52 Ca -0.00 2.25 0.28 0.00 -3.30 0.00 0.00 52.55 51.78 1vre s ASP 52 Cb 0.01 -2.61 1.01 0.00 -1.09 0.00 0.00 42.92 40.24 1vre s ASP 52 CO 0.09 -0.41 1.81 1.55 0.70 0.00 0.00 175.17 178.91 1vre h PRO 53 N 3.11 0.00 -1.00 2.11 0.13 -1.95 -3.16 132.00 131.24 1vre h PRO 53 Ca -0.48 0.00 0.22 0.00 -0.87 0.00 0.00 66.00 64.87 1vre h PRO 53 Cb 1.22 0.00 -0.10 0.00 0.13 0.00 0.00 31.00 32.25 1vre h PRO 53 CO 0.64 0.00 0.62 0.78 -0.23 0.00 0.00 178.00 179.81 1vre h GLY 54 N 2.75 1.56 0.16 1.56 0.00 -1.93 0.37 103.07 107.54 1vre h GLY 54 Ca 0.00 -0.30 0.22 0.00 0.00 0.00 0.00 47.33 47.25 1vre h GLY 54 CO 0.00 -0.10 0.62 -2.08 0.00 0.00 0.00 176.54 174.99 1vre h VAL 55 N 0.61 0.64 0.00 4.60 2.07 -1.92 1.45 116.25 123.70 1vre h VAL 55 Ca 0.58 -0.15 0.00 0.00 0.82 0.00 0.00 66.70 67.94 1vre h VAL 55 Cb 1.11 0.15 0.00 0.00 -1.52 0.00 0.00 31.29 31.03 1vre h VAL 55 CO -0.35 0.08 0.00 0.00 0.02 0.00 0.00 177.57 177.32 1vre n ALA 56 N -2.48 1.86 -0.00 1.67 0.00 0.13 -2.41 120.51 119.27 1vre n ALA 56 Ca 0.21 -0.07 -0.05 0.00 0.00 0.00 0.00 53.44 53.53 1vre n ALA 56 Cb 0.73 -1.27 -0.12 0.00 0.00 0.00 0.00 19.45 18.80 1vre n ALA 56 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1vre n ASP 57 N -1.36 0.82 -0.04 0.00 2.03 0.49 -3.42 116.55 115.07 1vre n ASP 57 Ca 0.07 0.38 -0.02 0.00 0.52 0.00 0.00 54.79 55.73 1vre n ASP 57 Cb 0.15 0.09 -0.01 0.00 -0.72 0.00 0.00 41.12 40.64 1vre n ASP 57 CO 0.00 0.00 0.00 -0.07 -1.92 0.00 0.00 177.20 175.21 1vre h LEU 58 N 0.00 0.00 -0.64 -2.67 3.38 -1.34 -3.30 115.31 110.74 1vre h LEU 58 Ca -0.25 0.00 0.13 0.00 0.09 0.00 0.00 57.88 57.85 1vre h LEU 58 Cb 1.85 0.00 -0.10 0.00 0.09 0.00 0.00 40.66 42.50 1vre h LEU 58 CO 0.06 0.45 0.10 1.23 0.09 0.00 0.00 178.44 180.37 1vre h GLY 59 N -0.63 0.80 1.18 0.83 0.00 -1.64 1.55 103.07 105.15 1vre h GLY 59 Ca 0.00 0.01 0.07 0.00 0.00 0.00 0.00 47.33 47.41 1vre h GLY 59 CO 0.00 -0.17 0.34 0.00 0.00 0.00 0.00 176.54 176.71 1vre h ALA 60 N 1.54 1.85 0.00 3.60 0.00 -1.75 -0.48 119.26 124.02 1vre h ALA 60 Ca 0.34 -0.01 -0.10 0.00 0.00 0.00 0.00 54.91 55.14 1vre h ALA 60 Cb 0.55 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.34 1vre h ALA 60 CO -0.47 -0.47 -1.85 1.63 0.00 0.00 0.00 179.25 178.09 1vre n LYS 61 N -3.56 0.89 0.09 0.00 5.02 0.25 -4.39 118.16 116.46 1vre n LYS 61 Ca 0.04 -0.09 -0.09 0.00 -2.02 0.00 0.00 58.31 56.14 1vre n LYS 61 Cb 0.47 -1.38 -0.06 0.00 -0.02 0.00 0.00 35.03 34.04 1vre n LYS 61 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 1vre h VAL 62 N 0.00 0.50 -0.96 -0.18 2.07 0.34 -3.25 116.25 114.77 1vre h VAL 62 Ca -0.15 -0.95 0.26 0.00 0.82 0.00 0.00 66.70 66.67 1vre h VAL 62 Cb 1.19 0.85 -0.13 0.00 -1.52 0.00 0.00 31.29 31.67 1vre h VAL 62 CO 0.01 0.13 0.50 -0.07 0.02 0.00 0.00 177.57 178.16 1vre h LEU 63 N -0.97 0.49 -0.84 2.57 3.38 -1.48 0.30 115.31 118.75 1vre h LEU 63 Ca -0.03 0.16 0.18 0.00 0.09 0.00 0.00 57.88 58.28 1vre h LEU 63 Cb 0.46 0.10 -0.11 0.00 0.09 0.00 0.00 40.66 41.20 1vre h LEU 63 CO 0.05 -0.00 0.37 0.00 0.09 0.00 0.00 178.44 178.95 1vre h ALA 64 N 1.76 1.28 -0.71 1.53 0.00 -1.66 0.22 119.26 121.67 1vre h ALA 64 Ca 0.63 0.13 -0.03 0.00 0.00 0.00 0.00 54.91 55.64 1vre h ALA 64 Cb 1.28 0.09 -0.03 0.00 0.00 0.00 0.00 17.79 19.13 1vre h ALA 64 CO -0.54 -0.24 0.32 0.37 0.00 0.00 0.00 179.25 179.17 1vre h GLN 65 N 0.47 1.04 -0.70 0.00 5.75 -0.46 -1.59 115.11 119.61 1vre h GLN 65 Ca 0.49 -0.17 0.05 0.00 -0.15 0.00 0.00 58.65 58.88 1vre h GLN 65 Cb 0.83 -0.18 -0.04 0.00 1.07 0.00 0.00 27.48 29.16 1vre h GLN 65 CO -0.45 0.83 0.46 0.82 -2.65 0.00 0.00 178.83 177.84 1vre h ILE 66 N 1.00 1.04 0.84 2.39 2.04 -0.47 0.39 117.51 124.75 1vre h ILE 66 Ca 0.24 -0.26 -0.04 0.00 1.00 0.00 0.00 64.86 65.80 1vre h ILE 66 Cb 0.15 0.22 0.01 0.00 -0.74 0.00 0.00 36.82 36.46 1vre h ILE 66 CO -0.03 0.14 -0.40 1.23 0.00 0.00 0.00 178.15 179.09 1vre h GLY 67 N 0.76 -1.18 1.09 5.37 0.00 -0.30 0.93 103.07 109.74 1vre h GLY 67 Ca 0.30 0.44 0.10 0.00 0.00 0.00 0.00 47.33 48.16 1vre h GLY 67 CO -0.09 -0.43 0.36 -2.08 0.00 0.00 0.00 176.54 174.30 1vre h VAL 68 N -1.27 0.44 0.00 4.60 2.07 -1.01 0.29 116.25 121.37 1vre h VAL 68 Ca -0.12 0.00 -0.22 0.00 0.82 0.00 0.00 66.70 67.18 1vre h VAL 68 Cb 0.87 0.72 -0.04 0.00 -1.52 0.00 0.00 31.29 31.32 1vre h VAL 68 CO 0.19 0.00 -1.25 0.00 0.02 0.00 0.00 177.57 176.53 1vre h ALA 69 N 1.61 0.58 0.00 1.67 0.00 -0.22 -3.24 119.26 119.65 1vre h ALA 69 Ca 0.17 -1.05 0.00 0.00 0.00 0.00 0.00 54.91 54.03 1vre h ALA 69 Cb 0.88 0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.81 1vre h ALA 69 CO -0.00 1.26 0.00 0.28 0.00 0.00 0.00 179.25 180.78 1vre n VAL 70 N -3.17 1.08 -0.68 0.00 0.31 0.32 -2.67 118.33 113.52 1vre n VAL 70 Ca -0.07 0.27 -0.18 0.00 -0.01 0.00 0.00 64.34 64.35 1vre n VAL 70 Cb 0.94 -1.05 0.10 0.00 -0.91 0.00 0.00 33.84 32.92 1vre n VAL 70 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 1vre n SER 71 N -1.48 4.72 0.00 4.52 2.88 -1.10 -4.70 113.62 118.45 1vre n SER 71 Ca 0.03 -3.16 0.00 0.00 -1.33 0.00 0.00 58.87 54.42 1vre n SER 71 Cb 0.15 -0.83 0.00 0.00 -0.75 0.00 0.00 64.21 62.77 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 -0.41 0.00 0.00 0.66 8.25 -1.09 -4.98 115.22 117.65 1vre n HIS 72 Ca 0.40 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.86 1vre n HIS 72 Cb 1.04 0.00 0.00 0.00 1.12 0.00 0.00 29.99 32.15 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 -0.26 0.00 0.23 2.41 4.77 -1.23 -3.12 117.00 119.81 1vre n LEU 73 Ca 0.00 0.00 0.13 0.00 -0.03 0.00 0.00 56.01 56.11 1vre n LEU 73 Cb 0.00 0.00 0.36 0.00 -2.33 0.00 0.00 43.42 41.45 1vre n LEU 73 CO 0.00 0.00 0.85 1.23 -1.33 0.00 0.00 177.39 178.14 1vre h GLY 74 N 0.00 0.00 -7.45 -0.72 0.00 -1.94 -3.39 103.07 89.57 1vre h GLY 74 Ca 0.00 0.00 -0.73 0.00 0.00 0.00 0.00 47.33 46.60 1vre h GLY 74 CO 0.00 0.00 -0.30 -0.35 0.00 0.00 0.00 176.54 175.89 1vre s ASP 75 N -6.05 5.77 -0.36 0.19 -1.08 -1.18 -4.92 116.67 109.04 1vre s ASP 75 Ca 0.04 -2.28 0.01 0.00 -0.52 0.00 0.00 52.55 49.79 1vre s ASP 75 Cb 0.07 -2.01 0.35 0.00 -1.46 0.00 0.00 42.92 39.88 1vre s ASP 75 CO 0.63 -0.59 1.82 -0.62 0.52 0.00 0.00 175.17 176.93 1vre n GLU 76 N 4.39 1.95 0.14 4.34 1.02 -1.26 -4.25 120.64 126.97 1vre n GLU 76 Ca -0.00 -2.01 0.12 0.00 -0.02 0.00 0.00 57.16 55.24 1vre n GLU 76 Cb 0.41 -1.79 0.17 0.00 -0.02 0.00 0.00 31.44 30.21 1vre n GLU 76 CO 0.00 0.00 0.00 0.78 1.18 0.00 0.00 177.13 179.09 1vre h GLY 77 N 2.23 0.00 0.00 0.62 0.00 -1.97 -3.40 103.07 100.56 1vre h GLY 77 Ca 0.40 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.73 1vre h GLY 77 CO 0.87 0.00 0.00 1.17 0.00 0.00 0.00 176.54 178.58 1vre n LYS 78 N -2.66 0.00 -0.10 4.80 4.81 -1.26 -4.77 118.16 118.98 1vre n LYS 78 Ca 0.03 0.00 -0.10 0.00 -0.87 0.00 0.00 58.31 57.37 1vre n LYS 78 Cb 0.50 -0.49 -0.04 0.00 0.02 0.00 0.00 35.03 35.02 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 -0.32 0.00 1.64 4.05 -1.81 1.14 114.93 119.62 1vre h MET 79 Ca 0.00 0.02 0.00 0.00 -0.28 0.00 0.00 59.70 59.44 1vre h MET 79 Cb 0.00 0.07 0.00 0.00 -0.80 0.00 0.00 31.60 30.87 1vre h MET 79 CO 0.00 -0.22 0.00 0.28 0.23 0.00 0.00 176.91 177.20 1vre h VAL 80 N -0.34 0.00 0.00 -5.77 2.07 -1.87 0.18 116.25 110.52 1vre h VAL 80 Ca 0.14 -0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.62 1vre h VAL 80 Cb 0.58 0.82 -0.00 0.00 -1.52 0.00 0.00 31.29 31.17 1vre h VAL 80 CO -0.54 0.00 -0.20 0.00 0.02 0.00 0.00 177.57 176.85 1vre h ALA 81 N 2.00 0.89 0.03 1.67 0.00 0.98 -2.64 119.26 122.18 1vre h ALA 81 Ca 0.00 -0.12 -0.30 0.00 0.00 0.00 0.00 54.91 54.48 1vre h ALA 81 Cb 0.00 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 17.74 1vre h ALA 81 CO 0.00 0.16 -1.67 -1.91 0.00 0.00 0.00 179.25 175.84 1vre n GLU 82 N -3.10 0.61 -0.29 0.00 0.00 0.55 -3.89 120.64 114.53 1vre n GLU 82 Ca 0.03 0.44 -0.05 0.00 0.00 0.00 0.00 57.16 57.58 1vre n GLU 82 Cb 0.59 -1.69 0.06 0.00 0.00 0.00 0.00 31.44 30.40 1vre n GLU 82 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 177.13 177.65 1vre h MET 83 N -0.72 1.11 -0.78 5.31 2.86 -1.46 -0.54 114.93 120.71 1vre h MET 83 Ca -0.43 -0.15 0.19 0.00 -2.06 0.00 0.00 59.70 57.25 1vre h MET 83 Cb 1.54 -0.21 -0.05 0.00 0.06 0.00 0.00 31.60 32.95 1vre h MET 83 CO -0.17 0.85 0.54 0.87 1.06 0.00 0.00 176.91 180.05 1vre h LYS 84 N 1.09 0.22 0.01 1.72 1.79 -1.55 0.61 116.57 120.47 1vre h LYS 84 Ca 0.27 -0.01 -0.21 0.00 -2.18 0.00 0.00 60.65 58.52 1vre h LYS 84 Cb 0.09 -0.05 -0.01 0.00 -1.58 0.00 0.00 32.23 30.68 1vre h LYS 84 CO -0.04 0.15 -0.91 0.00 -1.08 0.00 0.00 179.45 177.58 1vre h ALA 85 N 1.63 0.47 0.24 3.86 0.00 -1.24 -2.86 119.26 121.36 1vre h ALA 85 Ca 0.39 -0.73 -0.01 0.00 0.00 0.00 0.00 54.91 54.55 1vre h ALA 85 Cb 1.17 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.90 1vre h ALA 85 CO -0.09 0.91 -0.11 0.28 0.00 0.00 0.00 179.25 180.24 1vre h VAL 86 N 0.12 0.83 -1.00 0.00 2.07 0.97 -2.77 116.25 116.46 1vre h VAL 86 Ca -0.05 -0.49 0.14 0.00 0.82 0.00 0.00 66.70 67.12 1vre h VAL 86 Cb 1.54 1.11 -0.09 0.00 -1.52 0.00 0.00 31.29 32.33 1vre h VAL 86 CO 0.14 0.11 0.63 1.23 0.02 0.00 0.00 177.57 179.69 1vre h GLY 87 N -0.57 1.67 0.90 2.17 0.00 -1.13 0.47 103.07 106.57 1vre h GLY 87 Ca -0.03 -0.40 0.15 0.00 0.00 0.00 0.00 47.33 47.04 1vre h GLY 87 CO 0.05 0.09 0.41 -2.08 0.00 0.00 0.00 176.54 175.01 1vre h VAL 88 N 0.91 0.58 -0.00 4.60 2.07 -0.93 -0.48 116.25 123.00 1vre h VAL 88 Ca 0.52 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 68.01 1vre h VAL 88 Cb 0.63 0.70 0.00 0.00 -1.52 0.00 0.00 31.29 31.10 1vre h VAL 88 CO -0.30 0.00 -0.11 0.03 0.02 0.00 0.00 177.57 177.21 1vre h ARG 89 N 0.00 0.08 -0.06 1.57 2.47 0.05 -3.03 114.38 115.47 1vre h ARG 89 Ca 0.24 -0.08 0.02 0.00 -1.26 0.00 0.00 59.98 58.89 1vre h ARG 89 Cb 1.06 0.02 -0.00 0.00 -1.65 0.00 0.00 29.97 29.40 1vre h ARG 89 CO -0.00 0.82 0.13 0.45 0.56 0.00 0.00 179.97 181.93 1vre h HIS 90 N -0.63 0.00 0.00 3.04 3.86 -0.90 0.35 115.15 120.87 1vre h HIS 90 Ca -0.01 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.20 1vre h HIS 90 Cb 0.85 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.32 1vre h HIS 90 CO 0.18 0.00 0.00 1.17 0.86 0.00 0.00 177.93 180.14 1vre n LYS 91 N -3.36 0.01 -2.68 2.45 0.00 -0.50 -3.50 118.16 110.58 1vre n LYS 91 Ca -0.01 0.19 -0.09 0.00 0.00 0.00 0.00 58.31 58.39 1vre n LYS 91 Cb 0.21 -1.50 0.03 0.00 0.00 0.00 0.00 35.03 33.77 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 0.36 1.58 1.64 3.14 0.00 0.12 -4.85 105.19 107.19 1vre n GLY 92 Ca 0.05 -1.26 -0.10 0.00 0.00 0.00 0.00 46.02 44.71 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 -0.07 -3.21 0.07 1.61 4.02 -1.19 -5.00 117.16 113.40 1vre n TYR 93 Ca 0.09 -0.74 -0.04 0.00 -0.01 0.00 0.00 57.90 57.20 1vre n TYR 93 Cb 0.81 -0.31 -0.08 0.00 -0.02 0.00 0.00 39.34 39.74 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 -0.27 0.00 0.39 2.72 0.00 -1.94 -3.33 103.07 100.66 1vre h GLY 94 Ca -0.14 0.00 -0.19 0.00 0.00 0.00 0.00 47.33 47.00 1vre h GLY 94 CO 0.15 0.00 -0.94 -0.57 0.00 0.00 0.00 176.54 175.18 1vre h ASN 95 N 0.00 0.27 0.00 0.19 -1.24 -1.91 -3.47 115.58 109.42 1vre h ASN 95 Ca -0.05 -0.86 0.00 0.00 0.71 0.00 0.00 56.30 56.10 1vre h ASN 95 Cb 1.69 -0.09 0.00 0.00 0.73 0.00 0.00 38.32 40.65 1vre h ASN 95 CO 0.10 1.41 0.00 0.29 -1.29 0.00 0.00 177.43 177.94 1vre n LYS 96 N -4.19 0.00 -0.57 6.67 5.02 -1.25 -4.77 118.16 119.07 1vre n LYS 96 Ca -0.20 0.00 -0.22 0.00 -2.02 0.00 0.00 58.31 55.87 1vre n LYS 96 Cb 0.76 -0.00 -0.03 0.00 -0.02 0.00 0.00 35.03 35.74 1vre n LYS 96 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 1vre n HIS 97 N 0.00 0.89 -3.37 2.13 8.25 -1.26 -4.87 115.22 117.00 1vre n HIS 97 Ca 0.00 -1.33 -0.25 0.00 -0.26 0.00 0.00 57.72 55.89 1vre n HIS 97 Cb 0.00 -1.25 -0.01 0.00 1.12 0.00 0.00 29.99 29.84 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 4.62 5.10 0.00 1.59 1.01 -1.26 -5.01 121.20 127.25 1vre s ILE 98 Ca 0.35 -0.39 0.00 0.00 0.00 0.00 0.00 60.65 60.62 1vre s ILE 98 Cb 0.09 -3.84 -0.00 0.00 0.01 0.00 0.00 42.46 38.71 1vre s ILE 98 CO 0.05 -0.52 -0.01 -0.54 0.00 0.00 0.00 174.94 173.92 1vre s LYS 99 N -4.20 0.09 0.00 2.79 3.01 -1.26 -5.01 119.74 115.16 1vre s LYS 99 Ca 0.40 -0.12 0.10 0.00 -1.01 0.00 0.00 55.97 55.34 1vre s LYS 99 Cb -0.10 -0.02 0.40 0.00 -1.01 0.00 0.00 37.83 37.10 1vre s LYS 99 CO 0.35 0.00 1.29 0.00 0.51 0.00 0.00 175.35 177.50 1vre n ALA 100 N 2.81 2.50 0.02 5.17 0.00 -1.26 -3.52 120.51 126.22 1vre n ALA 100 Ca -0.14 -0.32 -0.08 0.00 0.00 0.00 0.00 53.44 52.90 1vre n ALA 100 Cb 0.59 -1.05 -0.13 0.00 0.00 0.00 0.00 19.45 18.86 1vre n ALA 100 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 1vre h GLU 101 N 1.08 0.00 0.00 0.00 4.81 -2.03 -3.27 114.58 115.17 1vre h GLU 101 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1vre h GLU 101 Cb 0.24 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.62 1vre h GLU 101 CO 0.00 0.74 0.00 1.88 -0.73 0.00 0.00 179.01 180.90 1vre h TYR 102 N 0.00 0.00 0.67 0.92 -1.99 -2.01 -3.34 116.97 111.22 1vre h TYR 102 Ca -0.15 0.00 -0.03 0.00 2.00 0.00 0.00 58.73 60.56 1vre h TYR 102 Cb 1.88 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 40.60 1vre h TYR 102 CO 0.00 0.00 -0.50 0.74 -0.00 0.00 0.00 178.16 178.40 1vre h PHE 103 N 0.00 -1.36 0.13 4.88 -1.00 -1.73 0.13 116.94 117.98 1vre h PHE 103 Ca 0.00 -0.00 0.02 0.00 2.81 0.00 0.00 57.97 60.80 1vre h PHE 103 Cb 0.81 0.50 -0.04 0.00 3.61 0.00 0.00 35.95 40.83 1vre h PHE 103 CO 0.00 -0.71 -0.41 0.93 -1.61 0.00 0.00 178.31 176.51 1vre h GLU 104 N -1.12 -0.63 -0.15 1.51 5.08 -1.76 0.18 114.58 117.70 1vre h GLU 104 Ca -0.09 0.04 0.04 0.00 -1.00 0.00 0.00 59.36 58.35 1vre h GLU 104 Cb 0.93 0.14 -0.07 0.00 0.50 0.00 0.00 28.75 30.25 1vre h GLU 104 CO 0.03 -0.42 -0.50 -1.35 -1.00 0.00 0.00 179.01 175.77 1vre h PRO 105 N -0.65 -0.52 -0.45 2.33 0.11 -1.67 0.51 132.00 131.65 1vre h PRO 105 Ca 0.02 0.04 0.13 0.00 0.11 0.00 0.00 66.00 66.30 1vre h PRO 105 Cb 0.68 0.12 -0.02 0.00 0.11 0.00 0.00 31.00 31.89 1vre h PRO 105 CO -0.24 -0.35 0.35 1.25 -0.21 0.00 0.00 178.00 178.81 1vre h LEU 106 N -0.54 0.00 0.00 2.35 7.12 -0.40 0.23 115.31 124.07 1vre h LEU 106 Ca 0.05 0.00 -0.00 0.00 0.13 0.00 0.00 57.88 58.06 1vre h LEU 106 Cb 0.66 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 40.79 1vre h LEU 106 CO -0.44 0.00 -0.00 1.23 -0.13 0.00 0.00 178.44 179.10 1vre h GLY 107 N 0.00 -0.01 1.30 3.75 0.00 0.29 -1.21 103.07 107.20 1vre h GLY 107 Ca 0.21 0.00 -0.06 0.00 0.00 0.00 0.00 47.33 47.48 1vre h GLY 107 CO -0.00 -0.00 0.09 0.00 0.00 0.00 0.00 176.54 176.62 1vre h ALA 108 N 0.32 1.13 -0.25 3.60 0.00 0.73 -2.27 119.26 122.52 1vre h ALA 108 Ca -0.00 -0.23 -0.11 0.00 0.00 0.00 0.00 54.91 54.56 1vre h ALA 108 Cb 0.66 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 1vre h ALA 108 CO 0.00 0.57 -0.33 1.03 0.00 0.00 0.00 179.25 180.53 1vre h SER 109 N 0.82 0.54 0.21 0.00 0.87 -0.62 -2.67 113.55 112.71 1vre h SER 109 Ca 0.17 -0.21 -0.08 0.00 -1.23 0.00 0.00 61.79 60.44 1vre h SER 109 Cb 0.37 -0.15 -0.01 0.00 -0.44 0.00 0.00 62.40 62.16 1vre h SER 109 CO 0.01 0.84 -0.31 0.25 -0.53 0.00 0.00 176.83 177.09 1vre h LEU 110 N 0.45 0.17 -1.54 2.23 6.46 -0.74 -2.32 115.31 120.02 1vre h LEU 110 Ca 0.05 -0.05 -0.01 0.00 -0.12 0.00 0.00 57.88 57.74 1vre h LEU 110 Cb 0.79 -0.05 -0.02 0.00 -0.73 0.00 0.00 40.66 40.66 1vre h LEU 110 CO 0.06 0.48 0.13 -0.07 -0.62 0.00 0.00 178.44 178.42 1vre h LEU 111 N 0.15 0.38 -0.82 2.25 3.38 -1.06 0.74 115.31 120.33 1vre h LEU 111 Ca 0.02 -0.03 -0.09 0.00 0.09 0.00 0.00 57.88 57.87 1vre h LEU 111 Cb 0.63 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.27 1vre h LEU 111 CO 0.05 0.35 -0.44 -1.28 0.09 0.00 0.00 178.44 177.21 1vre h SER 112 N 0.43 0.00 1.25 -0.43 0.87 -1.41 -2.93 113.55 111.33 1vre h SER 112 Ca 0.11 0.00 -0.07 0.00 -1.23 0.00 0.00 61.79 60.60 1vre h SER 112 Cb 0.09 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.04 1vre h SER 112 CO -0.01 0.44 -0.77 0.00 -0.53 0.00 0.00 176.83 175.95 1vre h ALA 113 N 1.56 0.69 -0.45 6.23 0.00 -1.01 -3.31 119.26 122.97 1vre h ALA 113 Ca -0.00 -0.33 -0.07 0.00 0.00 0.00 0.00 54.91 54.50 1vre h ALA 113 Cb 0.98 0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.81 1vre h ALA 113 CO 0.06 0.39 -0.01 0.52 0.00 0.00 0.00 179.25 180.22 1vre h MET 114 N 0.00 0.73 0.00 0.00 2.07 -0.73 -1.63 114.93 115.37 1vre h MET 114 Ca -0.04 -0.19 0.00 0.00 -2.07 0.00 0.00 59.70 57.40 1vre h MET 114 Cb 1.25 -0.09 0.00 0.00 -1.87 0.00 0.00 31.60 30.89 1vre h MET 114 CO 0.03 0.75 0.07 1.05 1.07 0.00 0.00 176.91 179.87 1vre h GLU 115 N 0.68 0.00 -0.77 1.72 4.11 -1.65 -1.30 114.58 117.38 1vre h GLU 115 Ca 0.14 0.00 0.10 0.00 0.07 0.00 0.00 59.36 59.67 1vre h GLU 115 Cb 0.43 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.63 1vre h GLU 115 CO 0.02 0.00 0.50 0.45 0.07 0.00 0.00 179.01 180.05 1vre h HIS 116 N 0.00 0.72 0.10 2.06 3.86 -1.49 1.52 115.15 121.93 1vre h HIS 116 Ca 0.00 0.02 -0.33 0.00 -1.16 0.00 0.00 60.37 58.90 1vre h HIS 116 Cb 0.14 -0.23 -0.02 0.00 1.06 0.00 0.00 27.41 28.35 1vre h HIS 116 CO 0.00 0.33 -1.80 -0.09 0.86 0.00 0.00 177.93 177.24 1vre h ARG 117 N 0.67 0.22 -2.07 2.45 1.12 -1.43 -3.40 114.38 111.95 1vre h ARG 117 Ca 0.36 -0.37 -0.60 0.00 -1.11 0.00 0.00 59.98 58.26 1vre h ARG 117 Cb 0.49 0.14 -0.41 0.00 -0.01 0.00 0.00 29.97 30.17 1vre h ARG 117 CO -0.13 1.18 -0.58 0.44 -3.11 0.00 0.00 179.97 177.76 1vre n ILE 118 N -3.72 3.00 0.30 1.20 -5.35 -1.02 -4.81 119.36 108.96 1vre n ILE 118 Ca -0.31 -5.40 0.18 0.00 -0.27 0.00 0.00 62.75 56.95 1vre n ILE 118 Cb 0.96 -1.37 0.88 0.00 -1.74 0.00 0.00 39.64 38.37 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 2.91 0.00 0.17 3.28 0.00 0.19 1.00 103.07 110.62 1vre h GLY 119 Ca 0.20 0.00 -0.30 0.00 0.00 0.00 0.00 47.33 47.22 1vre h GLY 119 CO 0.85 0.00 -2.21 0.61 0.00 0.00 0.00 176.54 175.79 1vre n GLY 120 N -0.61 -1.01 0.05 4.60 0.00 -1.26 -4.31 105.19 102.65 1vre n GLY 120 Ca -0.01 -0.31 0.11 0.00 0.00 0.00 0.00 46.02 45.81 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 -2.73 0.47 -2.39 1.61 5.02 -0.88 -4.69 118.16 114.56 1vre n LYS 121 Ca -0.26 -0.01 -0.37 0.00 -2.02 0.00 0.00 58.31 55.64 1vre n LYS 121 Cb 1.06 -1.64 -0.03 0.00 -0.02 0.00 0.00 35.03 34.39 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 -3.33 3.33 0.00 1.97 1.75 0.34 -4.84 119.30 118.53 1vre s MET 122 Ca -0.00 -1.18 0.00 0.00 -1.25 0.00 0.00 55.69 53.26 1vre s MET 122 Cb 0.13 -5.33 0.00 0.00 2.84 0.00 0.00 34.83 32.47 1vre s MET 122 CO 0.83 -2.70 0.00 0.27 -0.65 0.00 0.00 175.02 172.77 1vre n ASN 123 N 10.54 0.00 -0.09 1.11 0.23 -1.26 -4.81 115.26 120.98 1vre n ASN 123 Ca 0.40 -0.32 -0.12 0.00 -0.53 0.00 0.00 54.58 54.01 1vre n ASN 123 Cb 0.48 0.00 -0.05 0.00 -2.08 0.00 0.00 39.78 38.14 1vre n ASN 123 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1vre h ALA 124 N -0.99 0.36 0.00 -2.53 0.00 -1.98 -1.73 119.26 112.39 1vre h ALA 124 Ca 0.00 -0.32 -0.01 0.00 0.00 0.00 0.00 54.91 54.58 1vre h ALA 124 Cb 0.00 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.70 1vre h ALA 124 CO 0.00 0.24 -0.05 0.00 0.00 0.00 0.00 179.25 179.44 1vre h ALA 125 N 0.73 1.53 0.03 0.00 0.00 -1.96 0.52 119.26 120.10 1vre h ALA 125 Ca 0.06 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.92 1vre h ALA 125 Cb 0.64 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.42 1vre h ALA 125 CO 0.04 0.06 -0.01 0.00 0.00 0.00 0.00 179.25 179.33 1vre h ALA 126 N 1.95 -0.04 0.00 0.00 0.00 -1.80 -0.32 119.26 119.06 1vre h ALA 126 Ca -0.00 -0.34 -0.07 0.00 0.00 0.00 0.00 54.91 54.50 1vre h ALA 126 Cb 0.11 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 1vre h ALA 126 CO 0.01 -0.07 -0.33 1.57 0.00 0.00 0.00 179.25 180.42 1vre h LYS 127 N -0.94 0.00 0.13 0.00 2.10 -1.07 -2.00 116.57 114.79 1vre h LYS 127 Ca -0.00 0.00 -0.31 0.00 -2.00 0.00 0.00 60.65 58.33 1vre h LYS 127 Cb 0.70 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 32.02 1vre h LYS 127 CO 0.01 0.33 -1.56 0.22 -2.00 0.00 0.00 179.45 176.45 1vre h ASP 128 N 0.00 0.43 -0.26 7.07 1.82 -0.05 -2.29 116.42 123.14 1vre h ASP 128 Ca -0.00 -0.59 -0.11 0.00 -0.39 0.00 0.00 57.03 55.93 1vre h ASP 128 Cb 0.84 -0.14 -0.00 0.00 0.68 0.00 0.00 39.33 40.71 1vre h ASP 128 CO 0.04 1.49 -0.28 0.00 -1.61 0.00 0.00 179.24 178.89 1vre h ALA 129 N 0.44 0.38 -0.19 -0.78 0.00 -0.99 -2.34 119.26 115.79 1vre h ALA 129 Ca -0.25 -0.39 -0.17 0.00 0.00 0.00 0.00 54.91 54.09 1vre h ALA 129 Cb 2.03 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 19.73 1vre h ALA 129 CO 0.17 0.38 -0.56 -1.49 0.00 0.00 0.00 179.25 177.75 1vre h TRP 130 N 0.36 0.75 -0.37 0.00 4.06 -1.49 -1.35 115.95 117.92 1vre h TRP 130 Ca 0.04 -0.27 -0.01 0.00 2.06 0.00 0.00 58.89 60.71 1vre h TRP 130 Cb 0.84 -0.14 -0.02 0.00 -1.00 0.00 0.00 29.16 28.84 1vre h TRP 130 CO 0.08 1.02 0.19 0.00 -3.56 0.00 0.00 178.44 176.17 1vre h ALA 131 N 0.92 1.64 0.02 1.49 0.00 -1.35 1.25 119.26 123.24 1vre h ALA 131 Ca 0.01 -0.07 -0.23 0.00 0.00 0.00 0.00 54.91 54.62 1vre h ALA 131 Cb 1.12 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.73 1vre h ALA 131 CO 0.11 0.30 -1.08 0.00 0.00 0.00 0.00 179.25 178.57 1vre h ALA 132 N 1.70 0.34 0.24 0.00 0.00 -1.18 -3.29 119.26 117.07 1vre h ALA 132 Ca 0.13 -0.94 -0.34 0.00 0.00 0.00 0.00 54.91 53.76 1vre h ALA 132 Cb 0.03 -0.09 0.03 0.00 0.00 0.00 0.00 17.79 17.77 1vre h ALA 132 CO -0.02 1.23 -1.52 0.00 0.00 0.00 0.00 179.25 178.94 1vre h ALA 133 N 0.93 -0.10 -0.99 0.00 0.00 -0.27 -3.26 119.26 115.57 1vre h ALA 133 Ca -0.05 -0.91 0.25 0.00 0.00 0.00 0.00 54.91 54.20 1vre h ALA 133 Cb 1.82 0.24 -0.07 0.00 0.00 0.00 0.00 17.79 19.77 1vre h ALA 133 CO 0.14 0.75 0.66 1.88 0.00 0.00 0.00 179.25 182.67 1vre h TYR 134 N 0.12 0.50 0.00 0.00 0.05 0.14 1.17 116.97 118.96 1vre h TYR 134 Ca -0.27 0.02 -0.11 0.00 0.05 0.00 0.00 58.73 58.42 1vre h TYR 134 Cb 2.14 -0.15 -0.02 0.00 1.01 0.00 0.00 36.73 39.72 1vre h TYR 134 CO 0.13 0.08 -0.51 0.00 -1.05 0.00 0.00 178.16 176.81 1vre h ALA 135 N 1.59 0.98 0.20 3.88 0.00 -1.62 -1.69 119.26 122.60 1vre h ALA 135 Ca 0.53 -0.46 -0.34 0.00 0.00 0.00 0.00 54.91 54.63 1vre h ALA 135 Cb 1.46 -0.08 0.02 0.00 0.00 0.00 0.00 17.79 19.18 1vre h ALA 135 CO -0.20 0.64 -1.63 0.22 0.00 0.00 0.00 179.25 178.28 1vre h ASP 136 N 0.00 0.66 0.59 0.00 3.58 0.11 -1.63 116.42 119.73 1vre h ASP 136 Ca -0.01 -0.86 -0.03 0.00 0.42 0.00 0.00 57.03 56.55 1vre h ASP 136 Cb 1.01 -0.21 0.01 0.00 1.72 0.00 0.00 39.33 41.85 1vre h ASP 136 CO 0.07 1.71 -0.28 0.40 -2.88 0.00 0.00 179.24 178.25 1vre h ILE 137 N 0.11 0.22 0.00 2.25 2.04 -0.03 -2.54 117.51 119.56 1vre h ILE 137 Ca -0.30 -0.37 0.00 0.00 1.00 0.00 0.00 64.86 65.19 1vre h ILE 137 Cb 2.11 0.30 0.00 0.00 -0.74 0.00 0.00 36.82 38.49 1vre h ILE 137 CO 0.21 0.03 0.00 0.28 0.00 0.00 0.00 178.15 178.67 1vre h SER 138 N -1.09 0.00 0.55 1.72 0.02 -1.47 -3.16 113.55 110.12 1vre h SER 138 Ca -0.08 0.00 -0.03 0.00 -0.84 0.00 0.00 61.79 60.84 1vre h SER 138 Cb 0.66 0.00 0.01 0.00 0.14 0.00 0.00 62.40 63.21 1vre h SER 138 CO 0.13 0.00 -0.27 1.23 -1.14 0.00 0.00 176.83 176.79 1vre h GLY 139 N 1.75 -0.78 0.25 -3.77 0.00 -1.10 -2.64 103.07 96.78 1vre h GLY 139 Ca 0.00 0.29 0.20 0.00 0.00 0.00 0.00 47.33 47.81 1vre h GLY 139 CO 0.00 -0.28 0.68 0.00 0.00 0.00 0.00 176.54 176.94 1vre h ALA 140 N -0.82 2.48 0.00 3.60 0.00 -1.42 1.41 119.26 124.51 1vre h ALA 140 Ca -0.08 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.81 1vre h ALA 140 Cb 0.64 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.48 1vre h ALA 140 CO 0.12 -1.03 0.00 -0.11 0.00 0.00 0.00 179.25 178.23 1vre n LEU 141 N -3.69 0.38 -1.36 0.00 0.00 -1.00 -2.73 117.00 108.61 1vre n LEU 141 Ca 0.14 0.57 0.02 0.00 0.00 0.00 0.00 56.01 56.73 1vre n LEU 141 Cb 0.93 -0.48 0.22 0.00 0.00 0.00 0.00 43.42 44.08 1vre n LEU 141 CO 0.29 -0.27 0.65 -0.38 0.00 0.00 0.00 177.39 177.68 1vre n ILE 142 N -1.89 1.68 -0.08 1.96 5.41 0.48 -3.32 119.36 123.60 1vre n ILE 142 Ca 0.04 -0.84 -0.09 0.00 1.00 0.00 0.00 62.75 62.86 1vre n ILE 142 Cb 0.28 -0.42 -0.11 0.00 -0.71 0.00 0.00 39.64 38.69 1vre n ILE 142 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 176.55 176.31 1vre n SER 143 N 0.25 1.78 -0.06 4.38 2.88 -1.10 -4.59 113.62 117.15 1vre n SER 143 Ca 0.18 -0.03 0.06 0.00 -1.33 0.00 0.00 58.87 57.75 1vre n SER 143 Cb 0.85 0.53 0.08 0.00 -0.75 0.00 0.00 64.21 64.92 1vre n SER 143 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1vre n GLY 144 N 2.26 3.84 0.98 0.46 0.00 -1.25 -4.61 105.19 106.87 1vre n GLY 144 Ca -0.26 -0.68 0.12 0.00 0.00 0.00 0.00 46.02 45.20 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 -1.02 3.00 -3.53 0.99 0.00 -1.21 -1.35 117.00 113.88 1vre n LEU 145 Ca 0.09 -1.13 -0.32 0.00 0.00 0.00 0.00 56.01 54.65 1vre n LEU 145 Cb 0.51 -0.10 -0.04 0.00 0.00 0.00 0.00 43.42 43.79 1vre n LEU 145 CO 0.01 0.57 0.47 0.00 0.00 0.00 0.00 177.39 178.43 1vre n GLN 146 N 1.27 3.35 -0.43 1.96 3.00 -1.26 -4.37 117.38 120.91 1vre n GLN 146 Ca 0.16 -4.67 0.00 0.00 -0.01 0.00 0.00 57.00 52.49 1vre n GLN 146 Cb 0.57 -2.34 0.00 0.00 0.00 0.00 0.00 30.24 28.47 1vre n GLN 146 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.06 177.51