#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 -0.97 -4.14 0.99 7.99 -1.26 -5.01 117.00 114.60 1vre n LEU 2 Ca 0.00 2.26 -0.11 0.00 -0.01 0.00 0.00 56.01 58.15 1vre n LEU 2 Cb 0.00 -3.00 -0.09 0.00 -0.11 0.00 0.00 43.42 40.22 1vre n LEU 2 CO 0.00 -1.99 -0.20 -0.94 -1.51 0.00 0.00 177.39 172.75 1vre s SER 3 N -7.12 0.17 0.46 -1.43 1.04 -1.26 -5.01 113.70 100.55 1vre s SER 3 Ca 0.00 -1.25 0.19 0.00 0.48 0.00 0.00 55.95 55.37 1vre s SER 3 Cb 0.00 0.38 1.12 0.00 0.10 0.00 0.00 66.02 67.61 1vre s SER 3 CO 0.00 -0.83 2.00 0.00 0.98 0.00 0.00 173.24 175.38 1vre h ALA 4 N 2.66 1.50 0.18 5.32 0.00 -2.00 -0.82 119.26 126.11 1vre h ALA 4 Ca -0.34 -0.17 -0.28 0.00 0.00 0.00 0.00 54.91 54.11 1vre h ALA 4 Cb 1.23 -0.03 0.02 0.00 0.00 0.00 0.00 17.79 19.01 1vre h ALA 4 CO 0.53 0.24 -1.30 0.00 0.00 0.00 0.00 179.25 178.71 1vre h ALA 5 N 1.81 -0.02 -0.40 0.00 0.00 -2.01 -3.29 119.26 115.36 1vre h ALA 5 Ca -0.00 -0.90 -0.04 0.00 0.00 0.00 0.00 54.91 53.97 1vre h ALA 5 Cb 0.38 0.27 -0.02 0.00 0.00 0.00 0.00 17.79 18.42 1vre h ALA 5 CO 0.02 0.67 0.11 1.96 0.00 0.00 0.00 179.25 182.02 1vre h GLN 6 N -0.12 0.63 -0.54 0.00 4.20 -1.89 -2.44 115.11 114.94 1vre h GLN 6 Ca -0.25 -0.14 0.11 0.00 0.06 0.00 0.00 58.65 58.43 1vre h GLN 6 Cb 1.91 -0.09 -0.11 0.00 0.30 0.00 0.00 27.48 29.49 1vre h GLN 6 CO 0.17 0.64 -0.16 0.00 -0.67 0.00 0.00 178.83 178.82 1vre h ARG 7 N 0.50 -0.03 -0.20 1.46 3.08 -1.28 0.79 114.38 118.69 1vre h ARG 7 Ca 0.13 0.00 0.01 0.00 0.07 0.00 0.00 59.98 60.19 1vre h ARG 7 Cb 0.29 0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.33 1vre h ARG 7 CO -0.00 -0.02 0.10 1.96 -1.07 0.00 0.00 179.97 180.93 1vre h GLN 8 N -0.03 0.20 -0.62 0.04 1.08 -1.58 0.57 115.11 114.76 1vre h GLN 8 Ca 0.26 -0.01 0.01 0.00 -1.45 0.00 0.00 58.65 57.46 1vre h GLN 8 Cb 0.43 -0.05 -0.03 0.00 -0.05 0.00 0.00 27.48 27.78 1vre h GLN 8 CO -0.57 0.14 0.41 0.28 -0.95 0.00 0.00 178.83 178.13 1vre h VAL 9 N 0.21 1.15 -0.08 -0.54 2.07 -0.50 0.92 116.25 119.47 1vre h VAL 9 Ca 0.08 -0.28 -0.07 0.00 0.82 0.00 0.00 66.70 67.25 1vre h VAL 9 Cb 0.02 0.25 0.00 0.00 -1.52 0.00 0.00 31.29 30.04 1vre h VAL 9 CO -0.06 0.15 -0.23 0.58 0.02 0.00 0.00 177.57 178.03 1vre h VAL 10 N 0.83 1.41 0.00 2.57 2.07 0.16 -1.17 116.25 122.12 1vre h VAL 10 Ca 0.23 -1.57 0.00 0.00 0.82 0.00 0.00 66.70 66.18 1vre h VAL 10 Cb -0.07 2.21 0.00 0.00 -1.52 0.00 0.00 31.29 31.91 1vre h VAL 10 CO -0.05 0.45 0.00 0.00 0.02 0.00 0.00 177.57 177.99 1vre h ALA 11 N 0.48 1.00 0.00 1.67 0.00 0.60 -2.01 119.26 121.00 1vre h ALA 11 Ca -0.00 0.00 -0.15 0.00 0.00 0.00 0.00 54.91 54.76 1vre h ALA 11 Cb 0.84 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.60 1vre h ALA 11 CO 0.05 0.00 -1.14 1.03 0.00 0.00 0.00 179.25 179.19 1vre h SER 12 N 0.00 0.00 0.77 0.00 0.87 0.99 -3.24 113.55 112.93 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 0.59 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.55 1vre h SER 12 CO 0.00 0.54 -0.95 0.35 -0.53 0.00 0.00 176.83 176.24 1vre n THR 13 N -2.98 0.40 0.51 2.23 -2.24 -0.45 -3.83 114.28 107.92 1vre n THR 13 Ca -0.06 -0.39 0.12 0.00 -2.27 0.00 0.00 64.05 61.45 1vre n THR 13 Cb 0.80 -0.13 0.18 0.00 -2.10 0.00 0.00 70.33 69.09 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 0.00 4.78 7.01 -1.47 -3.04 115.95 123.24 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 0.86 0.00 0.00 0.00 -2.10 0.00 0.00 29.16 27.92 1vre h TRP 14 CO 0.00 0.00 -0.32 1.63 -2.79 0.00 0.00 178.44 176.96 1vre n LYS 15 N -2.24 0.25 -0.13 2.65 5.02 -1.22 -2.29 118.16 120.20 1vre n LYS 15 Ca 0.03 0.13 -0.26 0.00 -2.02 0.00 0.00 58.31 56.19 1vre n LYS 15 Cb 0.45 -1.72 -0.09 0.00 -0.02 0.00 0.00 35.03 33.65 1vre n LYS 15 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 1vre n ASP 16 N -2.11 1.95 -0.03 4.39 -0.08 -1.23 -3.51 116.55 115.92 1vre n ASP 16 Ca 0.05 0.35 -0.08 0.00 -1.51 0.00 0.00 54.79 53.60 1vre n ASP 16 Cb 0.43 -0.83 0.10 0.00 2.34 0.00 0.00 41.12 43.16 1vre n ASP 16 CO 0.00 0.00 0.00 0.40 0.12 0.00 0.00 177.20 177.72 1vre h ILE 17 N -1.00 1.29 -0.91 5.18 2.04 -1.69 -2.94 117.51 119.47 1vre h ILE 17 Ca -0.59 -1.51 -0.53 0.00 1.00 0.00 0.00 64.86 63.24 1vre h ILE 17 Cb 1.50 1.47 -0.28 0.00 -0.74 0.00 0.00 36.82 38.77 1vre h ILE 17 CO -0.35 0.48 0.58 0.00 0.00 0.00 0.00 178.15 178.86 1vre n ALA 18 N -2.51 5.65 -1.00 1.87 0.00 -0.97 -3.94 120.51 119.62 1vre n ALA 18 Ca -0.01 -3.13 0.00 0.00 0.00 0.00 0.00 53.44 50.30 1vre n ALA 18 Cb 0.50 -1.42 0.00 0.00 0.00 0.00 0.00 19.45 18.53 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 -1.07 -2.95 0.01 0.00 0.00 -1.11 -2.45 105.19 97.62 1vre n GLY 19 Ca 0.57 0.25 0.10 0.00 0.00 0.00 0.00 46.02 46.94 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 -0.57 0.61 0.11 1.61 3.41 -1.26 -4.28 113.62 113.24 1vre n SER 20 Ca 0.00 -0.24 0.12 0.00 -0.26 0.00 0.00 58.87 58.49 1vre n SER 20 Cb 0.00 1.67 0.03 0.00 -0.26 0.00 0.00 64.21 65.65 1vre n SER 20 CO 0.00 0.00 0.00 -2.24 -0.16 0.00 0.00 175.04 172.64 1vre h ASP 21 N 0.00 0.00 -1.96 4.04 2.03 -1.82 -3.48 116.42 115.23 1vre h ASP 21 Ca 0.00 -0.02 -0.41 0.00 -0.73 0.00 0.00 57.03 55.87 1vre h ASP 21 Cb 0.79 0.00 -0.10 0.00 -0.83 0.00 0.00 39.33 39.19 1vre h ASP 21 CO 0.00 0.01 -0.44 -3.20 -1.03 0.00 0.00 179.24 174.57 1vre n ASN 22 N -2.68 -5.55 0.00 4.15 5.15 -1.03 -1.27 115.26 114.04 1vre n ASN 22 Ca 0.01 0.27 0.00 0.00 -0.60 0.00 0.00 54.58 54.26 1vre n ASN 22 Cb 0.54 -4.77 0.00 0.00 -0.53 0.00 0.00 39.78 35.02 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 -0.66 1.18 0.18 8.20 0.00 -1.25 -3.81 105.19 109.02 1vre n GLY 23 Ca -0.22 -0.11 -0.14 0.00 0.00 0.00 0.00 46.02 45.55 1vre n GLY 23 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1vre h ALA 24 N 0.00 0.30 -0.31 4.61 0.00 -1.45 -2.96 119.26 119.45 1vre h ALA 24 Ca 0.00 -0.43 -0.07 0.00 0.00 0.00 0.00 54.91 54.42 1vre h ALA 24 Cb 0.03 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 17.73 1vre h ALA 24 CO 0.00 0.35 0.08 0.41 0.00 0.00 0.00 179.25 180.10 1vre n GLY 25 N 0.37 2.44 0.03 0.00 0.00 -1.26 -3.27 105.19 103.49 1vre n GLY 25 Ca -0.06 -0.43 -0.03 0.00 0.00 0.00 0.00 46.02 45.50 1vre n GLY 25 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1vre n VAL 26 N 0.13 0.35 -0.03 1.61 0.31 -1.12 -4.43 118.33 115.15 1vre n VAL 26 Ca 0.17 -0.18 -0.20 0.00 -0.01 0.00 0.00 64.34 64.12 1vre n VAL 26 Cb 0.78 -0.81 -0.14 0.00 -0.91 0.00 0.00 33.84 32.76 1vre n VAL 26 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1vre n GLY 27 N 2.91 -0.54 0.22 2.92 0.00 -1.18 -2.29 105.19 107.23 1vre n GLY 27 Ca -0.09 -0.25 0.05 0.00 0.00 0.00 0.00 46.02 45.73 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 0.05 0.00 0.00 1.61 2.10 -1.73 0.47 116.57 119.07 1vre h LYS 28 Ca -0.45 -0.00 -0.07 0.00 -2.00 0.00 0.00 60.65 58.13 1vre h LYS 28 Cb 2.01 -0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 33.33 1vre h LYS 28 CO 0.05 0.19 -1.39 -0.85 -2.00 0.00 0.00 179.45 175.45 1vre n GLU 29 N -4.31 0.63 -0.09 0.07 0.28 -1.26 -3.79 120.64 112.17 1vre n GLU 29 Ca -0.02 0.08 -0.16 0.00 -0.16 0.00 0.00 57.16 56.90 1vre n GLU 29 Cb 0.25 -1.74 -0.11 0.00 1.43 0.00 0.00 31.44 31.27 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 0.26 0.00 0.00 -1.00 -0.29 0.49 116.94 115.40 1vre h PHE 31 Ca -0.17 0.01 -0.02 0.00 2.81 0.00 0.00 57.97 60.60 1vre h PHE 31 Cb 1.04 -0.08 -0.00 0.00 3.61 0.00 0.00 35.95 40.52 1vre h PHE 31 CO 0.14 0.09 -0.10 1.15 -1.61 0.00 0.00 178.31 177.98 1vre h THR 32 N 0.21 0.91 0.24 -1.55 2.02 -1.68 -0.22 112.91 112.84 1vre h THR 32 Ca 0.35 -0.36 -0.34 0.00 0.77 0.00 0.00 66.41 66.83 1vre h THR 32 Cb 1.08 1.20 0.03 0.00 -1.74 0.00 0.00 68.15 68.72 1vre h THR 32 CO -0.07 0.10 -1.56 0.11 0.37 0.00 0.00 175.52 174.47 1vre h LYS 33 N 0.00 0.50 0.40 6.66 1.79 -0.15 -3.06 116.57 122.70 1vre h LYS 33 Ca -0.00 -0.85 -0.02 0.00 -2.18 0.00 0.00 60.65 57.60 1vre h LYS 33 Cb 0.19 0.32 0.00 0.00 -1.58 0.00 0.00 32.23 31.17 1vre h LYS 33 CO 0.01 1.41 -0.19 0.35 -1.08 0.00 0.00 179.45 179.95 1vre h PHE 34 N 0.12 -0.50 -0.77 -1.35 3.57 -0.91 -0.09 116.94 117.01 1vre h PHE 34 Ca -0.28 -0.01 0.16 0.00 3.53 0.00 0.00 57.97 61.36 1vre h PHE 34 Cb 2.14 0.16 -0.11 0.00 2.79 0.00 0.00 35.95 40.94 1vre h PHE 34 CO 0.12 -0.18 0.27 -0.07 -2.23 0.00 0.00 178.31 176.22 1vre h LEU 35 N -0.83 0.19 0.12 0.59 3.38 -1.20 1.43 115.31 118.98 1vre h LEU 35 Ca -0.05 0.13 -0.01 0.00 0.09 0.00 0.00 57.88 58.04 1vre h LEU 35 Cb 0.54 0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.43 1vre h LEU 35 CO 0.09 0.04 -0.06 0.77 0.09 0.00 0.00 178.44 179.37 1vre h SER 36 N 0.37 -0.14 -0.54 -0.43 4.64 -1.43 -3.02 113.55 113.02 1vre h SER 36 Ca 0.44 0.00 0.16 0.00 -0.47 0.00 0.00 61.79 61.92 1vre h SER 36 Cb 0.72 0.03 -0.02 0.00 -0.31 0.00 0.00 62.40 62.83 1vre h SER 36 CO -0.46 -0.07 0.49 0.00 -0.87 0.00 0.00 176.83 175.92 1vre h ALA 37 N -1.87 2.33 -3.71 5.18 0.00 -0.80 -3.30 119.26 117.10 1vre h ALA 37 Ca -0.02 -0.02 -0.66 0.00 0.00 0.00 0.00 54.91 54.21 1vre h ALA 37 Cb 0.12 0.04 -0.40 0.00 0.00 0.00 0.00 17.79 17.56 1vre h ALA 37 CO 0.03 -0.77 -0.73 -1.01 0.00 0.00 0.00 179.25 176.77 1vre s HIS 38 N -4.74 3.69 -0.43 0.00 3.76 0.49 -4.93 115.29 113.13 1vre s HIS 38 Ca -0.04 -2.91 0.23 0.00 -0.15 0.00 0.00 55.06 52.19 1vre s HIS 38 Cb 0.17 -2.78 0.29 0.00 1.11 0.00 0.00 32.58 31.37 1vre s HIS 38 CO 0.61 -0.94 1.44 0.45 -0.85 0.00 0.00 174.74 175.45 1vre h HIS 39 N 7.63 0.00 0.00 1.40 -0.00 -1.63 -3.18 115.15 119.37 1vre h HIS 39 Ca -0.06 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.31 1vre h HIS 39 Cb 1.02 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 28.43 1vre h HIS 39 CO 0.48 0.00 0.00 -0.40 -0.00 0.00 0.00 177.93 178.01 1vre n ASP 40 N -2.80 0.46 -0.00 2.45 5.75 -1.26 -2.67 116.55 118.47 1vre n ASP 40 Ca 0.03 0.59 0.08 0.00 -0.01 0.00 0.00 54.79 55.48 1vre n ASP 40 Cb 0.52 -0.70 -0.10 0.00 -1.03 0.00 0.00 41.12 39.81 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 -1.98 1.23 0.12 0.11 2.81 -1.20 -4.40 117.12 113.80 1vre n MET 41 Ca 0.03 -0.07 -0.09 0.00 -1.81 0.00 0.00 57.70 55.77 1vre n MET 41 Cb 0.26 -1.30 -0.05 0.00 -0.71 0.00 0.00 33.22 31.42 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 1.80 -0.91 -0.01 3.04 0.00 -1.52 0.56 119.26 122.22 1vre h ALA 42 Ca 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.83 1vre h ALA 42 Cb 0.54 0.53 -0.00 0.00 0.00 0.00 0.00 17.79 18.86 1vre h ALA 42 CO 0.00 -0.93 0.08 0.00 0.00 0.00 0.00 179.25 178.40 1vre h ALA 43 N -1.28 1.18 0.12 0.00 0.00 -1.73 -0.66 119.26 116.88 1vre h ALA 43 Ca -0.02 -0.00 -0.29 0.00 0.00 0.00 0.00 54.91 54.59 1vre h ALA 43 Cb 0.41 0.00 0.02 0.00 0.00 0.00 0.00 17.79 18.23 1vre h ALA 43 CO -0.06 -0.09 -1.23 0.28 0.00 0.00 0.00 179.25 178.15 1vre h VAL 44 N 0.00 1.31 0.00 0.00 2.07 -1.26 -3.20 116.25 115.17 1vre h VAL 44 Ca 0.01 -2.53 -0.02 0.00 0.82 0.00 0.00 66.70 64.97 1vre h VAL 44 Cb 0.17 2.71 -0.00 0.00 -1.52 0.00 0.00 31.29 32.65 1vre h VAL 44 CO -0.00 0.77 -0.12 -0.26 0.02 0.00 0.00 177.57 177.98 1vre h PHE 45 N 0.25 0.00 0.00 1.57 -1.00 0.15 -3.40 116.94 114.52 1vre h PHE 45 Ca -0.18 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.60 1vre h PHE 45 Cb 1.90 0.00 0.00 0.00 3.61 0.00 0.00 35.95 41.46 1vre h PHE 45 CO 0.10 0.12 0.00 0.41 -1.61 0.00 0.00 178.31 177.33 1vre n GLY 46 N 0.50 1.62 3.63 -1.45 0.00 -0.77 -5.03 105.19 103.69 1vre n GLY 46 Ca 0.02 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.75 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 1.97 -0.18 1.61 0.08 -0.88 -4.96 117.98 113.61 1vre s PHE 47 Ca 0.00 -1.00 0.16 0.00 0.12 0.00 0.00 56.93 56.21 1vre s PHE 47 Cb 0.00 -1.47 0.34 0.00 -0.57 0.00 0.00 43.02 41.32 1vre s PHE 47 CO 0.00 0.09 1.23 0.45 -0.10 0.00 0.00 175.22 176.89 1vre n SER 48 N -1.16 2.84 0.00 1.36 2.88 -1.26 -3.60 113.62 114.68 1vre n SER 48 Ca -0.11 -2.89 0.00 0.00 -1.33 0.00 0.00 58.87 54.53 1vre n SER 48 Cb 0.66 -0.41 0.00 0.00 -0.75 0.00 0.00 64.21 63.71 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 -0.93 0.26 1.85 0.46 0.00 -1.26 -4.88 105.19 100.68 1vre n GLY 49 Ca 0.16 -1.60 -0.17 0.00 0.00 0.00 0.00 46.02 44.41 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 -0.60 4.72 -1.84 4.61 0.00 -1.26 -4.01 120.51 122.12 1vre n ALA 50 Ca 0.00 -1.97 0.05 0.00 0.00 0.00 0.00 53.44 51.52 1vre n ALA 50 Cb 0.00 -1.33 0.09 0.00 0.00 0.00 0.00 19.45 18.21 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 -0.49 1.24 -4.57 0.00 2.88 -1.26 -4.99 113.62 106.43 1vre n SER 51 Ca 0.40 -2.74 -0.34 0.00 -1.33 0.00 0.00 58.87 54.86 1vre n SER 51 Cb 1.15 -0.37 -0.11 0.00 -0.75 0.00 0.00 64.21 64.13 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 -2.28 4.70 0.54 -3.46 -1.08 -1.26 -4.98 116.67 108.84 1vre s ASP 52 Ca 0.27 -0.03 0.31 0.00 -0.52 0.00 0.00 52.55 52.57 1vre s ASP 52 Cb 0.27 -1.30 1.48 0.00 -1.46 0.00 0.00 42.92 41.91 1vre s ASP 52 CO -0.06 0.33 2.05 1.55 0.52 0.00 0.00 175.17 179.56 1vre h PRO 53 N 5.50 0.00 -0.50 4.34 0.13 -1.96 -2.52 132.00 136.98 1vre h PRO 53 Ca -0.46 0.00 0.11 0.00 -0.87 0.00 0.00 66.00 64.79 1vre h PRO 53 Cb 1.18 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.28 1vre h PRO 53 CO 0.54 0.09 0.35 0.78 -0.23 0.00 0.00 178.00 179.53 1vre h GLY 54 N 1.24 0.27 0.59 1.56 0.00 -1.94 0.44 103.07 105.24 1vre h GLY 54 Ca -0.00 -0.08 0.15 0.00 0.00 0.00 0.00 47.33 47.40 1vre h GLY 54 CO 0.01 0.04 0.54 -2.08 0.00 0.00 0.00 176.54 175.06 1vre h VAL 55 N 0.18 0.82 0.00 4.60 2.07 -1.83 0.79 116.25 122.89 1vre h VAL 55 Ca 0.24 -0.20 0.00 0.00 0.82 0.00 0.00 66.70 67.56 1vre h VAL 55 Cb 0.70 0.19 0.00 0.00 -1.52 0.00 0.00 31.29 30.66 1vre h VAL 55 CO -0.04 0.10 0.00 0.00 0.02 0.00 0.00 177.57 177.66 1vre n ALA 56 N -2.47 2.41 -0.02 1.67 0.00 0.14 -2.83 120.51 119.42 1vre n ALA 56 Ca 0.16 -0.14 -0.04 0.00 0.00 0.00 0.00 53.44 53.42 1vre n ALA 56 Cb 0.49 -1.46 -0.12 0.00 0.00 0.00 0.00 19.45 18.36 1vre n ALA 56 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1vre n ASP 57 N -1.26 0.57 -0.04 0.00 8.00 0.27 -3.50 116.55 120.59 1vre n ASP 57 Ca 0.14 0.26 -0.02 0.00 0.71 0.00 0.00 54.79 55.88 1vre n ASP 57 Cb 0.21 0.48 -0.01 0.00 -0.02 0.00 0.00 41.12 41.78 1vre n ASP 57 CO 0.00 0.00 0.00 -0.07 -0.39 0.00 0.00 177.20 176.74 1vre h LEU 58 N 0.00 0.00 -1.30 0.64 3.38 -1.39 -3.11 115.31 113.53 1vre h LEU 58 Ca -0.28 0.00 0.21 0.00 0.09 0.00 0.00 57.88 57.90 1vre h LEU 58 Cb 1.82 0.00 -0.09 0.00 0.09 0.00 0.00 40.66 42.48 1vre h LEU 58 CO 0.05 0.42 0.62 1.23 0.09 0.00 0.00 178.44 180.85 1vre h GLY 59 N -0.60 1.27 1.61 0.83 0.00 -1.71 1.07 103.07 105.54 1vre h GLY 59 Ca 0.00 -0.26 -0.09 0.00 0.00 0.00 0.00 47.33 46.98 1vre h GLY 59 CO 0.00 -0.05 -0.26 0.00 0.00 0.00 0.00 176.54 176.23 1vre h ALA 60 N 1.62 1.12 0.08 3.60 0.00 -1.72 -1.20 119.26 122.75 1vre h ALA 60 Ca 0.53 -0.34 -0.31 0.00 0.00 0.00 0.00 54.91 54.79 1vre h ALA 60 Cb 1.13 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.78 1vre h ALA 60 CO -0.27 0.55 -1.65 0.87 0.00 0.00 0.00 179.25 178.75 1vre h LYS 61 N 0.40 0.16 -0.14 0.00 1.57 -0.29 -3.34 116.57 114.93 1vre h LYS 61 Ca 0.06 -0.27 -0.03 0.00 -1.87 0.00 0.00 60.65 58.54 1vre h LYS 61 Cb 0.67 0.10 -0.00 0.00 0.08 0.00 0.00 32.23 33.08 1vre h LYS 61 CO 0.05 0.94 -0.03 0.28 -0.57 0.00 0.00 179.45 180.12 1vre h VAL 62 N 0.04 1.28 -0.73 0.50 2.07 0.10 -3.07 116.25 116.45 1vre h VAL 62 Ca -0.28 -0.96 0.16 0.00 0.82 0.00 0.00 66.70 66.45 1vre h VAL 62 Cb 2.00 1.64 -0.12 0.00 -1.52 0.00 0.00 31.29 33.29 1vre h VAL 62 CO 0.12 0.28 0.07 -0.07 0.02 0.00 0.00 177.57 177.99 1vre h LEU 63 N -0.03 -0.20 -0.73 2.57 -0.00 -1.37 0.50 115.31 116.04 1vre h LEU 63 Ca 0.04 0.17 0.16 0.00 -0.00 0.00 0.00 57.88 58.25 1vre h LEU 63 Cb 0.44 0.28 -0.13 0.00 -0.00 0.00 0.00 40.66 41.25 1vre h LEU 63 CO 0.01 -0.12 -0.02 0.00 -0.00 0.00 0.00 178.44 178.31 1vre h ALA 64 N 1.65 0.71 0.03 1.53 0.00 -1.63 0.30 119.26 121.85 1vre h ALA 64 Ca 0.40 0.24 0.02 0.00 0.00 0.00 0.00 54.91 55.58 1vre h ALA 64 Cb 0.70 0.42 -0.04 0.00 0.00 0.00 0.00 17.79 18.88 1vre h ALA 64 CO -0.59 -0.42 -0.21 0.37 0.00 0.00 0.00 179.25 178.41 1vre h GLN 65 N 0.09 -0.33 -0.98 0.00 -0.00 -0.96 -0.45 115.11 112.47 1vre h GLN 65 Ca 0.39 0.02 0.19 0.00 -0.00 0.00 0.00 58.65 59.25 1vre h GLN 65 Cb 0.67 0.08 -0.09 0.00 0.00 0.00 0.00 27.48 28.13 1vre h GLN 65 CO -0.65 -0.22 0.61 0.82 0.00 0.00 0.00 178.83 179.39 1vre h ILE 66 N -0.35 0.72 0.58 2.39 2.04 -0.82 0.25 117.51 122.32 1vre h ILE 66 Ca 0.05 -0.23 -0.03 0.00 1.00 0.00 0.00 64.86 65.65 1vre h ILE 66 Cb 0.41 -0.02 0.01 0.00 -0.74 0.00 0.00 36.82 36.47 1vre h ILE 66 CO -0.17 0.12 -0.28 1.23 0.00 0.00 0.00 178.15 179.05 1vre h GLY 67 N 0.68 -0.81 1.99 5.37 0.00 0.31 0.23 103.07 110.84 1vre h GLY 67 Ca 0.54 0.30 0.00 0.00 0.00 0.00 0.00 47.33 48.17 1vre h GLY 67 CO -0.31 -0.30 0.00 -2.08 0.00 0.00 0.00 176.54 173.86 1vre h VAL 68 N -0.78 0.92 0.00 4.60 2.07 -0.36 0.40 116.25 123.10 1vre h VAL 68 Ca -0.08 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.44 1vre h VAL 68 Cb 0.60 1.00 0.00 0.00 -1.52 0.00 0.00 31.29 31.36 1vre h VAL 68 CO 0.13 0.00 -0.25 0.00 0.02 0.00 0.00 177.57 177.47 1vre n ALA 69 N -2.50 2.88 -0.06 1.67 0.00 -0.04 -3.86 120.51 118.60 1vre n ALA 69 Ca -0.03 -0.21 -0.15 0.00 0.00 0.00 0.00 53.44 53.05 1vre n ALA 69 Cb 0.09 -1.30 -0.06 0.00 0.00 0.00 0.00 19.45 18.18 1vre n ALA 69 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1vre h VAL 70 N 0.00 1.32 0.00 0.00 2.07 0.17 -2.98 116.25 116.82 1vre h VAL 70 Ca 0.00 -1.66 0.00 0.00 0.82 0.00 0.00 66.70 65.86 1vre h VAL 70 Cb 0.53 1.83 0.00 0.00 -1.52 0.00 0.00 31.29 32.13 1vre h VAL 70 CO 0.00 0.52 0.00 -1.20 0.02 0.00 0.00 177.57 176.91 1vre n SER 71 N -4.19 0.41 -2.83 0.57 7.64 -1.23 -3.67 113.62 110.32 1vre n SER 71 Ca -0.06 0.55 -0.33 0.00 1.01 0.00 0.00 58.87 60.05 1vre n SER 71 Cb 0.56 -0.66 0.01 0.00 -1.01 0.00 0.00 64.21 63.11 1vre n SER 71 CO 0.00 0.00 0.00 1.41 -3.01 0.00 0.00 175.04 173.44 1vre n HIS 72 N -1.90 3.29 -0.10 1.43 8.25 -1.13 -4.62 115.22 120.44 1vre n HIS 72 Ca 0.05 -2.91 -0.12 0.00 -0.26 0.00 0.00 57.72 54.48 1vre n HIS 72 Cb 0.34 -0.64 -0.12 0.00 1.12 0.00 0.00 29.99 30.69 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 -0.42 1.53 -0.03 2.41 4.77 -1.24 -4.54 117.00 119.49 1vre n LEU 73 Ca 0.44 -0.06 -0.15 0.00 -0.03 0.00 0.00 56.01 56.21 1vre n LEU 73 Cb 0.43 -0.19 -0.11 0.00 -2.33 0.00 0.00 43.42 41.22 1vre n LEU 73 CO 0.41 0.66 0.45 1.23 -1.33 0.00 0.00 177.39 178.82 1vre h GLY 74 N 2.57 0.16 0.00 -0.72 0.00 -1.88 -3.48 103.07 99.72 1vre h GLY 74 Ca -0.49 -0.26 0.00 0.00 0.00 0.00 0.00 47.33 46.58 1vre h GLY 74 CO -0.03 0.23 0.00 1.22 0.00 0.00 0.00 176.54 177.96 1vre n ASP 75 N -4.57 0.00 -2.66 0.19 8.00 -1.26 -4.90 116.55 111.34 1vre n ASP 75 Ca -0.09 0.00 -0.14 0.00 0.71 0.00 0.00 54.79 55.27 1vre n ASP 75 Cb 0.45 0.00 -0.00 0.00 -0.02 0.00 0.00 41.12 41.55 1vre n ASP 75 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1vre n GLU 76 N 0.00 -2.61 -0.08 -1.24 1.02 -1.26 -4.71 120.64 111.77 1vre n GLU 76 Ca 0.00 0.54 0.26 0.00 -0.02 0.00 0.00 57.16 57.94 1vre n GLU 76 Cb 0.00 -5.17 0.64 0.00 -0.02 0.00 0.00 31.44 26.89 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 -0.25 0.00 0.82 0.62 0.00 -1.91 1.10 103.07 103.46 1vre h GLY 77 Ca -0.31 0.00 0.12 0.00 0.00 0.00 0.00 47.33 47.14 1vre h GLY 77 CO 0.37 0.00 0.48 1.70 0.00 0.00 0.00 176.54 179.09 1vre h LYS 78 N 0.00 0.51 -0.23 4.80 3.64 -1.97 0.38 116.57 123.71 1vre h LYS 78 Ca 0.36 -0.03 0.07 0.00 -1.27 0.00 0.00 60.65 59.77 1vre h LYS 78 Cb 1.92 -0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 33.62 1vre h LYS 78 CO -0.00 0.34 0.18 0.00 -2.27 0.00 0.00 179.45 177.69 1vre h MET 79 N 0.53 0.00 -0.05 1.90 -0.00 0.94 0.25 114.93 118.51 1vre h MET 79 Ca 0.35 0.00 -0.00 0.00 -0.00 0.00 0.00 59.70 60.04 1vre h MET 79 Cb 0.63 0.00 -0.00 0.00 -0.00 0.00 0.00 31.60 32.23 1vre h MET 79 CO -0.12 0.00 0.01 0.28 -0.00 0.00 0.00 176.91 177.08 1vre h VAL 80 N 0.00 1.03 -0.61 -0.10 2.07 -0.35 -1.12 116.25 117.17 1vre h VAL 80 Ca 0.11 -0.11 -0.04 0.00 0.82 0.00 0.00 66.70 67.48 1vre h VAL 80 Cb 0.46 0.98 -0.03 0.00 -1.52 0.00 0.00 31.29 31.19 1vre h VAL 80 CO -0.00 0.04 0.21 0.00 0.02 0.00 0.00 177.57 177.83 1vre h ALA 81 N 1.94 0.80 0.29 1.67 0.00 -0.56 0.17 119.26 123.58 1vre h ALA 81 Ca 0.02 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 54.72 1vre h ALA 81 Cb 0.04 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.59 1vre h ALA 81 CO -0.00 0.45 -0.14 1.49 0.00 0.00 0.00 179.25 181.05 1vre h GLU 82 N 0.86 -0.37 -0.97 0.00 4.22 -1.25 -2.31 114.58 114.77 1vre h GLU 82 Ca 0.20 0.03 0.06 0.00 0.08 0.00 0.00 59.36 59.72 1vre h GLU 82 Cb 0.26 0.08 -0.06 0.00 0.50 0.00 0.00 28.75 29.53 1vre h GLU 82 CO -0.01 -0.19 0.63 0.52 -2.18 0.00 0.00 179.01 177.77 1vre h MET 83 N -0.47 1.13 -0.92 1.92 2.86 -1.28 0.10 114.93 118.28 1vre h MET 83 Ca -0.04 -0.07 0.20 0.00 -2.06 0.00 0.00 59.70 57.73 1vre h MET 83 Cb 0.35 -0.25 -0.07 0.00 0.06 0.00 0.00 31.60 31.68 1vre h MET 83 CO 0.06 0.75 0.60 0.87 1.06 0.00 0.00 176.91 180.26 1vre h LYS 84 N 1.16 0.45 -0.07 1.72 1.79 -0.18 0.52 116.57 121.98 1vre h LYS 84 Ca 0.41 -0.03 -0.20 0.00 -2.18 0.00 0.00 60.65 58.65 1vre h LYS 84 Cb 0.11 -0.10 -0.00 0.00 -1.58 0.00 0.00 32.23 30.66 1vre h LYS 84 CO -0.16 0.30 -0.80 0.00 -1.08 0.00 0.00 179.45 177.71 1vre h ALA 85 N 1.61 0.48 -0.68 3.86 0.00 -0.30 -2.05 119.26 122.19 1vre h ALA 85 Ca 0.49 -0.64 0.06 0.00 0.00 0.00 0.00 54.91 54.82 1vre h ALA 85 Cb 1.13 -0.04 -0.05 0.00 0.00 0.00 0.00 17.79 18.83 1vre h ALA 85 CO -0.21 0.76 0.38 0.28 0.00 0.00 0.00 179.25 180.47 1vre h VAL 86 N 0.31 0.98 0.09 0.00 2.07 0.86 1.01 116.25 121.57 1vre h VAL 86 Ca -0.05 -0.24 -0.00 0.00 0.82 0.00 0.00 66.70 67.22 1vre h VAL 86 Cb 1.40 0.21 0.00 0.00 -1.52 0.00 0.00 31.29 31.38 1vre h VAL 86 CO 0.14 0.13 -0.04 1.23 0.02 0.00 0.00 177.57 179.05 1vre h GLY 87 N 0.71 -0.13 1.85 2.17 0.00 -1.16 -2.02 103.07 104.48 1vre h GLY 87 Ca 0.30 0.05 0.01 0.00 0.00 0.00 0.00 47.33 47.69 1vre h GLY 87 CO -0.18 -0.05 0.07 -2.08 0.00 0.00 0.00 176.54 174.31 1vre h VAL 88 N -0.48 0.22 -0.03 4.60 2.07 -0.72 -0.94 116.25 120.97 1vre h VAL 88 Ca -0.01 0.00 -0.22 0.00 0.82 0.00 0.00 66.70 67.29 1vre h VAL 88 Cb 0.40 0.94 0.02 0.00 -1.52 0.00 0.00 31.29 31.13 1vre h VAL 88 CO 0.02 0.00 -0.84 0.03 0.02 0.00 0.00 177.57 176.80 1vre h ARG 89 N 0.00 0.61 0.00 1.57 2.47 0.16 -3.07 114.38 116.13 1vre h ARG 89 Ca 0.01 -0.62 -0.00 0.00 -1.26 0.00 0.00 59.98 58.11 1vre h ARG 89 Cb 0.15 0.17 -0.00 0.00 -1.65 0.00 0.00 29.97 28.64 1vre h ARG 89 CO -0.00 1.23 -0.01 0.45 0.56 0.00 0.00 179.97 182.20 1vre h HIS 90 N 0.24 0.00 -0.47 3.04 3.86 -0.49 -1.60 115.15 119.72 1vre h HIS 90 Ca -0.10 0.00 0.14 0.00 -1.16 0.00 0.00 60.37 59.25 1vre h HIS 90 Cb 1.50 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 29.96 1vre h HIS 90 CO 0.12 0.01 0.48 -0.22 0.86 0.00 0.00 177.93 179.18 1vre h LYS 91 N 0.00 0.00 -0.94 2.45 3.64 -1.40 -2.15 116.57 118.17 1vre h LYS 91 Ca -0.00 0.00 -0.43 0.00 -1.27 0.00 0.00 60.65 58.95 1vre h LYS 91 Cb 0.03 0.00 -0.41 0.00 -0.41 0.00 0.00 32.23 31.43 1vre h LYS 91 CO 0.00 0.00 -0.97 0.41 -2.27 0.00 0.00 179.45 176.62 1vre n GLY 92 N -1.52 3.87 0.28 5.01 0.00 -0.61 -4.88 105.19 107.34 1vre n GLY 92 Ca 0.09 -1.93 -0.02 0.00 0.00 0.00 0.00 46.02 44.15 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 -0.45 -3.68 -0.03 1.61 4.02 -0.81 -4.95 117.16 112.87 1vre n TYR 93 Ca 0.24 -0.11 -0.13 0.00 -0.01 0.00 0.00 57.90 57.90 1vre n TYR 93 Cb 0.81 -0.06 -0.08 0.00 -0.02 0.00 0.00 39.34 39.98 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 -0.09 0.19 0.79 2.72 0.00 -1.93 -3.26 103.07 101.49 1vre h GLY 94 Ca -0.03 -0.19 -0.11 0.00 0.00 0.00 0.00 47.33 46.99 1vre h GLY 94 CO 0.02 0.17 -0.39 -0.57 0.00 0.00 0.00 176.54 175.78 1vre h ASN 95 N -0.24 0.51 0.00 0.19 -1.24 -1.89 -3.46 115.58 109.46 1vre h ASN 95 Ca 0.01 -0.63 0.00 0.00 0.71 0.00 0.00 56.30 56.40 1vre h ASN 95 Cb 0.56 -0.15 0.00 0.00 0.73 0.00 0.00 38.32 39.46 1vre h ASN 95 CO 0.02 1.05 0.00 1.17 -1.29 0.00 0.00 177.43 178.38 1vre n LYS 96 N -4.34 0.00 -1.60 6.67 4.81 -1.23 -4.79 118.16 117.68 1vre n LYS 96 Ca -0.08 0.00 -0.21 0.00 -0.87 0.00 0.00 58.31 57.15 1vre n LYS 96 Cb 0.53 0.00 -0.10 0.00 0.02 0.00 0.00 35.03 35.48 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 1.33 -4.24 5.64 8.25 -1.26 -4.85 115.22 120.10 1vre n HIS 97 Ca 0.00 -0.59 -0.23 0.00 -0.26 0.00 0.00 57.72 56.64 1vre n HIS 97 Cb 0.00 -2.43 -0.07 0.00 1.12 0.00 0.00 29.99 28.61 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 14.51 3.04 -0.02 1.59 1.01 -1.26 -4.94 121.20 135.13 1vre s ILE 98 Ca 0.76 -1.86 -0.01 0.00 0.00 0.00 0.00 60.65 59.55 1vre s ILE 98 Cb -0.01 -2.87 0.02 0.00 0.01 0.00 0.00 42.46 39.60 1vre s ILE 98 CO 0.19 -0.25 0.04 -0.54 0.00 0.00 0.00 174.94 174.38 1vre s LYS 99 N -3.75 0.02 0.00 2.79 3.01 -1.26 -4.97 119.74 115.57 1vre s LYS 99 Ca 0.35 0.13 0.27 0.00 -1.01 0.00 0.00 55.97 55.70 1vre s LYS 99 Cb -0.03 -0.10 1.59 0.00 -1.01 0.00 0.00 37.83 38.28 1vre s LYS 99 CO 0.21 -0.08 2.00 0.00 0.51 0.00 0.00 175.35 177.99 1vre n ALA 100 N 3.59 2.62 0.11 5.17 0.00 -1.26 -3.18 120.51 127.55 1vre n ALA 100 Ca -0.19 -0.17 -0.00 0.00 0.00 0.00 0.00 53.44 53.08 1vre n ALA 100 Cb 0.55 -1.43 -0.02 0.00 0.00 0.00 0.00 19.45 18.55 1vre n ALA 100 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.50 178.55 1vre h GLU 101 N 0.00 0.00 0.00 0.00 -0.00 -2.02 -3.11 114.58 109.44 1vre h GLU 101 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 59.36 1vre h GLU 101 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 28.75 1vre h GLU 101 CO 0.00 0.63 0.00 0.66 -0.00 0.00 0.00 179.01 180.30 1vre n TYR 102 N -3.25 0.06 0.43 2.06 4.02 -1.19 -3.87 117.16 115.43 1vre n TYR 102 Ca 0.01 0.02 -0.17 0.00 -0.01 0.00 0.00 57.90 57.75 1vre n TYR 102 Cb 0.80 -0.53 -0.08 0.00 -0.02 0.00 0.00 39.34 39.50 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 0.00 -1.03 -0.01 -0.72 -1.00 -1.73 0.12 116.94 112.57 1vre h PHE 103 Ca 0.00 -0.02 0.03 0.00 2.81 0.00 0.00 57.97 60.79 1vre h PHE 103 Cb 0.47 0.34 -0.05 0.00 3.61 0.00 0.00 35.95 40.31 1vre h PHE 103 CO 0.00 -0.64 -0.34 0.93 -1.61 0.00 0.00 178.31 176.65 1vre h GLU 104 N -1.23 -0.47 0.16 1.51 5.08 -1.76 0.71 114.58 118.57 1vre h GLU 104 Ca -0.11 0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.28 1vre h GLU 104 Cb 0.85 0.11 -0.03 0.00 0.50 0.00 0.00 28.75 30.18 1vre h GLU 104 CO 0.19 -0.32 -0.40 -1.35 -1.00 0.00 0.00 179.01 176.13 1vre h PRO 105 N -0.49 -0.60 -0.14 2.33 0.11 -1.69 0.45 132.00 131.97 1vre h PRO 105 Ca 0.06 0.04 0.04 0.00 0.11 0.00 0.00 66.00 66.25 1vre h PRO 105 Cb 0.58 0.14 -0.01 0.00 0.11 0.00 0.00 31.00 31.82 1vre h PRO 105 CO -0.28 -0.40 0.24 1.25 -0.21 0.00 0.00 178.00 178.60 1vre h LEU 106 N -0.62 0.00 0.00 2.35 7.12 -0.48 0.53 115.31 124.21 1vre h LEU 106 Ca -0.01 0.00 -0.05 0.00 0.13 0.00 0.00 57.88 57.94 1vre h LEU 106 Cb 0.60 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 40.74 1vre h LEU 106 CO -0.18 0.00 -0.20 1.23 -0.13 0.00 0.00 178.44 179.16 1vre h GLY 107 N 0.00 0.14 1.69 3.75 0.00 0.35 -2.14 103.07 106.86 1vre h GLY 107 Ca 0.07 -0.26 -0.11 0.00 0.00 0.00 0.00 47.33 47.03 1vre h GLY 107 CO -0.00 0.23 -0.36 0.00 0.00 0.00 0.00 176.54 176.41 1vre h ALA 108 N 0.22 1.08 0.00 3.60 0.00 0.93 -2.56 119.26 122.54 1vre h ALA 108 Ca -0.03 -0.39 -0.10 0.00 0.00 0.00 0.00 54.91 54.40 1vre h ALA 108 Cb 0.98 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.66 1vre h ALA 108 CO 0.04 0.58 -0.46 1.03 0.00 0.00 0.00 179.25 180.44 1vre h SER 109 N 0.30 0.00 -0.01 0.00 0.87 -1.00 -2.95 113.55 110.76 1vre h SER 109 Ca 0.03 0.00 -0.13 0.00 -1.23 0.00 0.00 61.79 60.46 1vre h SER 109 Cb 0.77 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.72 1vre h SER 109 CO 0.06 0.46 -0.42 0.25 -0.53 0.00 0.00 176.83 176.65 1vre h LEU 110 N 0.00 0.57 -1.59 2.23 6.46 -0.97 -2.78 115.31 119.24 1vre h LEU 110 Ca -0.00 -0.26 0.01 0.00 -0.12 0.00 0.00 57.88 57.51 1vre h LEU 110 Cb 0.94 -0.16 -0.02 0.00 -0.73 0.00 0.00 40.66 40.69 1vre h LEU 110 CO 0.06 0.92 0.29 -0.07 -0.62 0.00 0.00 178.44 179.02 1vre h LEU 111 N 0.44 0.48 -0.92 2.25 3.38 -1.35 -0.44 115.31 119.15 1vre h LEU 111 Ca 0.03 -0.01 -0.11 0.00 0.09 0.00 0.00 57.88 57.89 1vre h LEU 111 Cb 0.92 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.54 1vre h LEU 111 CO 0.08 0.34 -0.39 -1.28 0.09 0.00 0.00 178.44 177.29 1vre h SER 112 N 0.56 0.31 0.03 -0.43 0.87 -1.53 -3.06 113.55 110.31 1vre h SER 112 Ca 0.16 -0.13 -0.28 0.00 -1.23 0.00 0.00 61.79 60.32 1vre h SER 112 Cb -0.02 -0.09 0.02 0.00 -0.44 0.00 0.00 62.40 61.87 1vre h SER 112 CO -0.04 0.67 -1.10 0.00 -0.53 0.00 0.00 176.83 175.84 1vre h ALA 113 N 1.34 0.10 -1.00 6.23 0.00 -1.12 -3.21 119.26 121.60 1vre h ALA 113 Ca 0.03 -0.72 0.22 0.00 0.00 0.00 0.00 54.91 54.44 1vre h ALA 113 Cb 0.80 0.07 -0.10 0.00 0.00 0.00 0.00 17.79 18.56 1vre h ALA 113 CO 0.06 0.69 0.62 0.52 0.00 0.00 0.00 179.25 181.14 1vre h MET 114 N 0.37 0.57 -0.17 0.00 2.07 -1.04 0.77 114.93 117.50 1vre h MET 114 Ca -0.14 -0.03 0.05 0.00 -2.07 0.00 0.00 59.70 57.50 1vre h MET 114 Cb 1.75 -0.13 -0.01 0.00 -1.87 0.00 0.00 31.60 31.35 1vre h MET 114 CO 0.21 0.38 0.38 1.49 1.07 0.00 0.00 176.91 180.44 1vre h GLU 115 N 0.59 0.00 -0.32 1.72 4.81 -1.55 -0.65 114.58 119.18 1vre h GLU 115 Ca 0.59 0.00 0.03 0.00 -0.13 0.00 0.00 59.36 59.85 1vre h GLU 115 Cb 1.16 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 30.51 1vre h GLU 115 CO -0.36 0.00 0.12 0.45 -0.73 0.00 0.00 179.01 178.49 1vre h HIS 116 N 0.00 0.22 0.29 0.92 3.86 0.40 0.86 115.15 121.70 1vre h HIS 116 Ca 0.08 0.02 -0.01 0.00 -1.16 0.00 0.00 60.37 59.29 1vre h HIS 116 Cb 0.84 -0.05 0.00 0.00 1.06 0.00 0.00 27.41 29.26 1vre h HIS 116 CO 0.00 0.10 -0.14 -0.09 0.86 0.00 0.00 177.93 178.67 1vre h ARG 117 N 0.27 -0.37 -2.21 2.45 2.43 -1.27 -3.33 114.38 112.35 1vre h ARG 117 Ca 0.14 0.03 -0.75 0.00 -0.81 0.00 0.00 59.98 58.59 1vre h ARG 117 Cb 0.10 0.08 -0.23 0.00 -0.42 0.00 0.00 29.97 29.50 1vre h ARG 117 CO -0.14 -0.25 1.20 0.44 -1.51 0.00 0.00 179.97 179.71 1vre n ILE 118 N -4.50 4.91 0.21 1.20 -5.35 -1.14 -4.69 119.36 110.00 1vre n ILE 118 Ca -0.05 -4.86 0.11 0.00 -0.27 0.00 0.00 62.75 57.68 1vre n ILE 118 Cb 0.15 -1.55 0.53 0.00 -1.74 0.00 0.00 39.64 37.03 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 0.21 -0.93 0.05 3.28 0.00 0.30 0.36 105.19 108.46 1vre n GLY 119 Ca 0.52 0.16 -0.03 0.00 0.00 0.00 0.00 46.02 46.67 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 -1.03 -0.61 0.03 -0.02 0.00 -1.26 -4.49 105.19 97.80 1vre n GLY 120 Ca -0.01 -0.24 0.11 0.00 0.00 0.00 0.00 46.02 45.89 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 -2.33 0.22 -2.15 1.61 5.02 -0.86 -4.78 118.16 114.88 1vre n LYS 121 Ca -0.16 -0.00 -0.37 0.00 -2.02 0.00 0.00 58.31 55.76 1vre n LYS 121 Cb 0.76 -1.57 -0.03 0.00 -0.02 0.00 0.00 35.03 34.17 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 -3.15 2.75 0.40 1.97 1.75 0.16 -4.92 119.30 118.27 1vre s MET 122 Ca 0.05 0.27 0.08 0.00 -1.25 0.00 0.00 55.69 54.84 1vre s MET 122 Cb 0.15 -4.48 -0.01 0.00 2.84 0.00 0.00 34.83 33.32 1vre s MET 122 CO 0.79 -2.70 0.42 0.54 -0.65 0.00 0.00 175.02 173.42 1vre s ASN 123 N 7.21 5.29 0.18 1.11 4.22 -1.26 -4.91 114.94 126.77 1vre s ASN 123 Ca 0.61 -0.60 -0.18 0.00 -2.14 0.00 0.00 52.86 50.55 1vre s ASN 123 Cb -0.10 -0.68 0.13 0.00 1.28 0.00 0.00 41.25 41.87 1vre s ASN 123 CO 0.15 -0.63 1.63 0.00 -2.04 0.00 0.00 177.10 176.21 1vre h ALA 124 N 0.94 0.13 -0.47 3.54 0.00 -1.99 0.77 119.26 122.19 1vre h ALA 124 Ca -0.42 0.16 0.14 0.00 0.00 0.00 0.00 54.91 54.79 1vre h ALA 124 Cb 1.27 0.51 -0.02 0.00 0.00 0.00 0.00 17.79 19.55 1vre h ALA 124 CO 0.54 -0.55 0.45 0.00 0.00 0.00 0.00 179.25 179.69 1vre h ALA 125 N 1.21 2.23 0.18 0.00 0.00 -1.96 0.62 119.26 121.53 1vre h ALA 125 Ca 0.22 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.10 1vre h ALA 125 Cb 0.45 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.28 1vre h ALA 125 CO -0.53 -0.69 -0.08 0.00 0.00 0.00 0.00 179.25 177.94 1vre h ALA 126 N 1.54 -0.24 0.00 0.00 0.00 0.20 0.17 119.26 120.93 1vre h ALA 126 Ca 0.22 -0.13 -0.04 0.00 0.00 0.00 0.00 54.91 54.97 1vre h ALA 126 Cb 1.12 0.09 -0.01 0.00 0.00 0.00 0.00 17.79 19.00 1vre h ALA 126 CO -0.00 -0.24 -0.17 1.57 0.00 0.00 0.00 179.25 180.41 1vre h LYS 127 N -1.02 0.00 0.06 0.00 2.10 -0.61 0.12 116.57 117.22 1vre h LYS 127 Ca -0.02 0.00 -0.20 0.00 -2.00 0.00 0.00 60.65 58.42 1vre h LYS 127 Cb 0.34 0.00 0.02 0.00 -0.90 0.00 0.00 32.23 31.69 1vre h LYS 127 CO 0.04 0.17 -0.84 0.22 -2.00 0.00 0.00 179.45 177.04 1vre h ASP 128 N 0.00 0.63 -0.63 7.07 1.82 0.16 0.76 116.42 126.22 1vre h ASP 128 Ca -0.00 -0.82 -0.08 0.00 -0.39 0.00 0.00 57.03 55.74 1vre h ASP 128 Cb 0.32 -0.20 -0.03 0.00 0.68 0.00 0.00 39.33 40.10 1vre h ASP 128 CO 0.02 1.38 0.08 0.00 -1.61 0.00 0.00 179.24 179.11 1vre h ALA 129 N 0.26 0.92 0.00 -0.78 0.00 -0.27 -1.96 119.26 117.43 1vre h ALA 129 Ca -0.12 -0.28 -0.15 0.00 0.00 0.00 0.00 54.91 54.36 1vre h ALA 129 Cb 1.56 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 19.09 1vre h ALA 129 CO 0.16 0.66 -0.73 -1.49 0.00 0.00 0.00 179.25 177.85 1vre h TRP 130 N 1.00 0.00 -0.02 0.00 4.06 -1.04 -1.90 115.95 118.06 1vre h TRP 130 Ca 0.19 0.00 -0.07 0.00 2.06 0.00 0.00 58.89 61.08 1vre h TRP 130 Cb 0.47 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 28.62 1vre h TRP 130 CO 0.03 0.73 -0.31 0.00 -3.56 0.00 0.00 178.44 175.33 1vre h ALA 131 N 1.27 1.46 0.07 1.49 0.00 -0.40 0.41 119.26 123.56 1vre h ALA 131 Ca -0.01 -0.29 -0.30 0.00 0.00 0.00 0.00 54.91 54.31 1vre h ALA 131 Cb 1.44 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 19.15 1vre h ALA 131 CO 0.09 0.40 -1.60 0.00 0.00 0.00 0.00 179.25 178.15 1vre h ALA 132 N 1.66 0.45 -0.08 0.00 0.00 -1.26 -3.33 119.26 116.71 1vre h ALA 132 Ca 0.00 -1.24 -0.21 0.00 0.00 0.00 0.00 54.91 53.47 1vre h ALA 132 Cb 0.56 0.36 0.00 0.00 0.00 0.00 0.00 17.79 18.71 1vre h ALA 132 CO 0.04 1.31 -0.80 0.00 0.00 0.00 0.00 179.25 179.80 1vre h ALA 133 N 0.63 0.45 -0.09 0.00 0.00 -1.06 -2.91 119.26 116.29 1vre h ALA 133 Ca -0.26 -0.63 0.03 0.00 0.00 0.00 0.00 54.91 54.05 1vre h ALA 133 Cb 1.99 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 19.75 1vre h ALA 133 CO 0.12 0.75 0.14 1.88 0.00 0.00 0.00 179.25 182.14 1vre h TYR 134 N 0.35 0.00 0.04 0.00 0.05 -0.32 0.99 116.97 118.09 1vre h TYR 134 Ca -0.05 0.00 -0.23 0.00 0.05 0.00 0.00 58.73 58.50 1vre h TYR 134 Cb 1.41 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 39.13 1vre h TYR 134 CO 0.06 0.00 -1.06 0.00 -1.05 0.00 0.00 178.16 176.11 1vre h ALA 135 N 1.81 0.29 0.13 3.88 0.00 -1.62 -1.98 119.26 121.78 1vre h ALA 135 Ca 0.04 -0.87 -0.28 0.00 0.00 0.00 0.00 54.91 53.79 1vre h ALA 135 Cb 0.32 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.02 1vre h ALA 135 CO -0.00 1.11 -1.31 0.22 0.00 0.00 0.00 179.25 179.26 1vre h ASP 136 N 0.04 0.44 0.12 0.00 3.58 -0.90 -0.04 116.42 119.65 1vre h ASP 136 Ca -0.06 -0.50 -0.01 0.00 0.42 0.00 0.00 57.03 56.89 1vre h ASP 136 Cb 1.80 -0.14 0.00 0.00 1.72 0.00 0.00 39.33 42.70 1vre h ASP 136 CO 0.15 1.39 -0.06 0.40 -2.88 0.00 0.00 179.24 178.25 1vre h ILE 137 N 0.08 0.92 -0.28 2.25 2.04 -1.12 -2.33 117.51 119.06 1vre h ILE 137 Ca -0.16 -1.30 -0.16 0.00 1.00 0.00 0.00 64.86 64.23 1vre h ILE 137 Cb 1.99 1.59 -0.00 0.00 -0.74 0.00 0.00 36.82 39.67 1vre h ILE 137 CO 0.20 0.26 -0.47 0.77 0.00 0.00 0.00 178.15 178.91 1vre h SER 138 N -0.89 0.90 -0.34 1.72 4.64 -1.51 -3.18 113.55 114.89 1vre h SER 138 Ca -0.02 -0.52 0.03 0.00 -0.47 0.00 0.00 61.79 60.82 1vre h SER 138 Cb 0.54 -0.26 -0.03 0.00 -0.31 0.00 0.00 62.40 62.34 1vre h SER 138 CO 0.03 1.25 0.14 1.23 -0.87 0.00 0.00 176.83 178.60 1vre h GLY 139 N 0.58 0.45 0.68 -0.77 0.00 -1.11 0.38 103.07 103.27 1vre h GLY 139 Ca 0.02 -0.09 0.15 0.00 0.00 0.00 0.00 47.33 47.41 1vre h GLY 139 CO 0.11 0.05 0.52 0.00 0.00 0.00 0.00 176.54 177.22 1vre h ALA 140 N 1.21 2.26 0.00 3.60 0.00 -1.39 0.86 119.26 125.79 1vre h ALA 140 Ca 0.15 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.04 1vre h ALA 140 Cb 0.10 0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.93 1vre h ALA 140 CO -0.14 -0.78 -0.46 1.25 0.00 0.00 0.00 179.25 179.12 1vre h LEU 141 N 0.00 0.00 -0.38 0.00 6.46 -0.96 -3.24 115.31 117.19 1vre h LEU 141 Ca 0.24 -0.03 0.00 0.00 -0.12 0.00 0.00 57.88 57.97 1vre h LEU 141 Cb 1.28 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 41.21 1vre h LEU 141 CO -0.00 0.02 0.00 -0.38 -0.62 0.00 0.00 178.44 177.45 1vre n ILE 142 N -2.70 0.11 -0.07 4.05 5.41 0.30 -2.61 119.36 123.84 1vre n ILE 142 Ca 0.03 -0.13 -0.05 0.00 1.00 0.00 0.00 62.75 63.60 1vre n ILE 142 Cb 0.51 -0.01 -0.15 0.00 -0.71 0.00 0.00 39.64 39.29 1vre n ILE 142 CO 0.00 0.00 0.00 -1.20 0.00 0.00 0.00 176.55 175.35 1vre n SER 143 N -0.31 0.45 -0.06 4.38 7.64 -1.19 -4.48 113.62 120.05 1vre n SER 143 Ca 0.09 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.98 1vre n SER 143 Cb 0.12 1.18 -0.16 0.00 -1.01 0.00 0.00 64.21 64.34 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 1.74 -1.00 0.00 0.23 0.00 -1.22 -4.93 105.19 100.02 1vre n GLY 144 Ca -0.24 -0.43 0.00 0.00 0.00 0.00 0.00 46.02 45.36 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 -2.50 0.00 -3.55 0.99 7.94 -1.07 -3.39 117.00 115.41 1vre n LEU 145 Ca -0.19 0.00 -0.21 0.00 -1.11 0.00 0.00 56.01 54.51 1vre n LEU 145 Cb 0.86 0.00 0.05 0.00 0.53 0.00 0.00 43.42 44.87 1vre n LEU 145 CO 0.44 0.00 -0.01 0.00 -1.11 0.00 0.00 177.39 176.71 1vre n GLN 146 N 0.00 -4.09 -0.42 1.96 6.02 -1.26 -4.79 117.38 114.80 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 -5.28 0.00 0.00 1.02 0.00 0.00 30.24 25.98 1vre n GLN 146 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.06 176.50