#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1vre s LEU 2 N 0.00 4.36 0.80 0.99 2.01 -1.26 -4.95 118.68 120.63 1vre s LEU 2 Ca 0.00 1.48 -0.06 0.00 0.01 0.00 0.00 54.13 55.57 1vre s LEU 2 Cb 0.00 -3.62 0.15 0.00 0.01 0.00 0.00 46.19 42.74 1vre s LEU 2 CO 0.00 0.03 1.11 -0.94 1.01 0.00 0.00 176.35 177.56 1vre s SER 3 N -1.61 3.92 0.45 2.29 1.04 -1.26 -4.84 113.70 113.69 1vre s SER 3 Ca 0.43 -0.19 0.30 0.00 0.48 0.00 0.00 55.95 56.97 1vre s SER 3 Cb -0.17 -0.06 1.09 0.00 0.10 0.00 0.00 66.02 66.98 1vre s SER 3 CO 0.22 -2.17 1.86 0.00 0.98 0.00 0.00 173.24 174.13 1vre h ALA 4 N -0.90 1.00 0.01 5.32 0.00 -2.00 -2.70 119.26 119.99 1vre h ALA 4 Ca -0.39 0.00 -0.39 0.00 0.00 0.00 0.00 54.91 54.14 1vre h ALA 4 Cb 1.25 0.00 -0.06 0.00 0.00 0.00 0.00 17.79 18.98 1vre h ALA 4 CO 0.39 0.00 -2.42 0.00 0.00 0.00 0.00 179.25 177.21 1vre n ALA 5 N -2.01 1.37 0.16 0.00 0.00 -1.26 -4.11 120.51 114.66 1vre n ALA 5 Ca 0.02 -1.05 -0.14 0.00 0.00 0.00 0.00 53.44 52.27 1vre n ALA 5 Cb 0.34 -0.17 -0.08 0.00 0.00 0.00 0.00 19.45 19.54 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 0.00 -0.34 -0.97 0.00 4.20 -1.93 0.87 115.11 116.94 1vre h GLN 6 Ca -0.56 0.02 0.25 0.00 0.06 0.00 0.00 58.65 58.42 1vre h GLN 6 Cb 1.91 0.08 -0.07 0.00 0.30 0.00 0.00 27.48 29.70 1vre h GLN 6 CO -0.07 -0.15 0.66 0.07 -0.67 0.00 0.00 178.83 178.66 1vre h ARG 7 N -0.45 0.27 -0.01 1.46 0.11 -1.71 0.38 114.38 114.44 1vre h ARG 7 Ca -0.04 -0.02 -0.09 0.00 0.10 0.00 0.00 59.98 59.94 1vre h ARG 7 Cb 0.34 -0.06 0.01 0.00 1.11 0.00 0.00 29.97 31.36 1vre h ARG 7 CO 0.06 0.18 -0.34 0.37 0.10 0.00 0.00 179.97 180.34 1vre h GLN 8 N 0.28 0.24 -0.47 0.08 5.75 -1.53 -2.68 115.11 116.78 1vre h GLN 8 Ca 0.51 -0.25 -0.00 0.00 -0.15 0.00 0.00 58.65 58.75 1vre h GLN 8 Cb 1.50 0.07 -0.02 0.00 1.07 0.00 0.00 27.48 30.09 1vre h GLN 8 CO -0.16 0.96 0.28 0.28 -2.65 0.00 0.00 178.83 177.54 1vre h VAL 9 N -0.37 1.14 -0.09 2.39 2.07 0.13 -0.74 116.25 120.77 1vre h VAL 9 Ca -0.04 -0.30 -0.01 0.00 0.82 0.00 0.00 66.70 67.17 1vre h VAL 9 Cb 1.08 0.47 -0.00 0.00 -1.52 0.00 0.00 31.29 31.32 1vre h VAL 9 CO 0.07 0.14 0.02 0.58 0.02 0.00 0.00 177.57 178.40 1vre h VAL 10 N 0.65 1.20 0.00 2.57 2.07 -0.34 -1.04 116.25 121.35 1vre h VAL 10 Ca 0.17 -0.60 0.00 0.00 0.82 0.00 0.00 66.70 67.09 1vre h VAL 10 Cb -0.02 1.43 0.00 0.00 -1.52 0.00 0.00 31.29 31.18 1vre h VAL 10 CO -0.03 0.17 0.00 0.00 0.02 0.00 0.00 177.57 177.73 1vre n ALA 11 N -2.24 1.69 0.02 1.67 0.00 -0.91 -1.57 120.51 119.17 1vre n ALA 11 Ca -0.06 -0.01 0.00 0.00 0.00 0.00 0.00 53.44 53.38 1vre n ALA 11 Cb 0.15 -1.29 -0.09 0.00 0.00 0.00 0.00 19.45 18.22 1vre n ALA 11 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1vre n SER 12 N -1.74 0.77 0.00 0.00 7.64 -0.33 -3.60 113.62 116.36 1vre n SER 12 Ca 0.03 0.34 0.11 0.00 1.01 0.00 0.00 58.87 60.35 1vre n SER 12 Cb 0.20 0.30 -0.06 0.00 -1.01 0.00 0.00 64.21 63.64 1vre n SER 12 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 1vre n THR 13 N -2.84 0.02 0.01 0.44 -2.24 -0.47 -4.21 114.28 105.00 1vre n THR 13 Ca -0.10 -0.09 -0.05 0.00 -2.27 0.00 0.00 64.05 61.54 1vre n THR 13 Cb 0.83 0.69 -0.11 0.00 -2.10 0.00 0.00 70.33 69.64 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 -1.43 -3.02 115.95 123.29 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 0.59 0.00 0.00 0.00 -2.10 0.00 0.00 29.16 27.65 1vre h TRP 14 CO 0.00 0.84 0.00 0.87 -2.79 0.00 0.00 178.44 177.36 1vre h LYS 15 N 0.00 0.00 0.00 2.65 1.57 -1.73 -1.26 116.57 117.80 1vre h LYS 15 Ca -0.21 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.57 1vre h LYS 15 Cb 1.82 0.00 0.00 0.00 0.08 0.00 0.00 32.23 34.13 1vre h LYS 15 CO 0.07 0.00 -0.83 -3.47 -0.57 0.00 0.00 179.45 174.65 1vre n ASP 16 N -2.34 1.64 -0.33 0.86 -0.08 -1.24 -3.53 116.55 111.54 1vre n ASP 16 Ca 0.02 0.29 0.03 0.00 -1.51 0.00 0.00 54.79 53.62 1vre n ASP 16 Cb 0.25 -0.71 0.20 0.00 2.34 0.00 0.00 41.12 43.21 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 -0.85 1.11 -0.93 5.18 2.04 -1.63 -1.51 117.51 120.92 1vre h ILE 17 Ca 0.00 -0.38 -0.58 0.00 1.00 0.00 0.00 64.86 64.90 1vre h ILE 17 Cb 0.83 -0.11 -0.29 0.00 -0.74 0.00 0.00 36.82 36.51 1vre h ILE 17 CO 0.00 0.20 0.60 0.00 0.00 0.00 0.00 178.15 178.95 1vre n ALA 18 N -2.39 5.85 -1.00 1.87 0.00 -0.47 -4.15 120.51 120.22 1vre n ALA 18 Ca 0.14 -3.30 0.00 0.00 0.00 0.00 0.00 53.44 50.28 1vre n ALA 18 Cb 0.16 -1.48 0.00 0.00 0.00 0.00 0.00 19.45 18.13 1vre n ALA 18 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1vre n GLY 19 N -0.99 -2.85 0.07 0.00 0.00 -0.57 -2.93 105.19 97.93 1vre n GLY 19 Ca 0.58 0.04 -0.02 0.00 0.00 0.00 0.00 46.02 46.62 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 -0.40 0.18 0.15 1.61 3.41 -1.26 -4.21 113.62 113.10 1vre n SER 20 Ca 0.00 0.08 0.05 0.00 -0.26 0.00 0.00 58.87 58.74 1vre n SER 20 Cb 0.00 1.11 0.05 0.00 -0.26 0.00 0.00 64.21 65.12 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 -1.60 4.04 3.04 -1.82 -3.47 116.42 116.61 1vre h ASP 21 Ca -0.31 0.00 -0.36 0.00 -3.24 0.00 0.00 57.03 53.12 1vre h ASP 21 Cb 1.75 0.00 -0.12 0.00 -1.04 0.00 0.00 39.33 39.92 1vre h ASP 21 CO 0.03 0.38 -0.36 -3.20 -2.04 0.00 0.00 179.24 174.05 1vre n ASN 22 N -3.17 -4.78 0.00 4.15 5.15 -1.15 -0.96 115.26 114.49 1vre n ASN 22 Ca 0.02 0.36 0.00 0.00 -0.60 0.00 0.00 54.58 54.36 1vre n ASN 22 Cb 0.69 -4.23 0.00 0.00 -0.53 0.00 0.00 39.78 35.71 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 -0.46 1.41 0.16 8.20 0.00 -1.26 -3.71 105.19 109.54 1vre n GLY 23 Ca -0.18 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.71 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 -0.31 -0.22 4.61 0.00 -1.30 -2.65 119.26 119.39 1vre h ALA 24 Ca 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.71 1vre h ALA 24 Cb 0.00 0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.91 1vre h ALA 24 CO 0.00 -0.43 0.00 0.41 0.00 0.00 0.00 179.25 179.23 1vre n GLY 25 N 0.10 0.22 0.03 0.00 0.00 -1.26 -3.12 105.19 101.16 1vre n GLY 25 Ca -0.09 -0.24 0.04 0.00 0.00 0.00 0.00 46.02 45.73 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 0.15 0.28 -0.10 1.61 0.31 -1.16 -4.14 118.33 115.28 1vre n VAL 26 Ca 0.07 -0.45 -0.14 0.00 -0.01 0.00 0.00 64.34 63.81 1vre n VAL 26 Cb 0.22 -0.07 -0.14 0.00 -0.91 0.00 0.00 33.84 32.94 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 1.69 -0.66 0.21 2.92 0.00 -1.01 -3.14 105.19 105.19 1vre n GLY 27 Ca -0.09 -0.24 0.06 0.00 0.00 0.00 0.00 46.02 45.75 1vre n GLY 27 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1vre h LYS 28 N 0.00 0.00 -0.01 1.61 2.10 -1.66 -2.50 116.57 116.11 1vre h LYS 28 Ca -0.54 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.11 1vre h LYS 28 Cb 2.06 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 33.39 1vre h LYS 28 CO -0.02 0.31 -0.57 -0.85 -2.00 0.00 0.00 179.45 176.32 1vre n GLU 29 N -3.74 1.06 -0.02 0.07 0.28 -1.26 -4.26 120.64 112.77 1vre n GLU 29 Ca -0.01 -0.75 -0.02 0.00 -0.16 0.00 0.00 57.16 56.22 1vre n GLU 29 Cb 0.41 -1.45 -0.01 0.00 1.43 0.00 0.00 31.44 31.82 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 -0.25 0.00 0.19 0.00 0.04 -1.72 -1.28 116.94 113.93 1vre h PHE 31 Ca 0.00 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.77 1vre h PHE 31 Cb 0.20 0.00 -0.03 0.00 2.20 0.00 0.00 35.95 38.32 1vre h PHE 31 CO -0.09 0.00 -0.36 1.15 -0.60 0.00 0.00 178.31 178.42 1vre h THR 32 N 0.00 0.00 -0.61 -1.55 2.02 -1.76 0.69 112.91 111.69 1vre h THR 32 Ca 0.60 0.00 0.12 0.00 0.77 0.00 0.00 66.41 67.90 1vre h THR 32 Cb 2.42 0.00 -0.10 0.00 -1.74 0.00 0.00 68.15 68.74 1vre h THR 32 CO -0.01 0.00 0.06 0.11 0.37 0.00 0.00 175.52 176.06 1vre h LYS 33 N -0.59 0.17 -0.07 6.66 1.57 -1.43 0.31 116.57 123.19 1vre h LYS 33 Ca -0.02 -0.01 0.03 0.00 -1.87 0.00 0.00 60.65 58.78 1vre h LYS 33 Cb 0.55 -0.04 -0.03 0.00 0.08 0.00 0.00 32.23 32.79 1vre h LYS 33 CO -0.13 0.11 -0.10 0.35 -0.57 0.00 0.00 179.45 179.11 1vre h PHE 34 N 0.18 -0.26 -0.57 -1.35 3.57 -1.21 0.91 116.94 118.20 1vre h PHE 34 Ca 0.32 0.01 0.03 0.00 3.53 0.00 0.00 57.97 61.87 1vre h PHE 34 Cb 0.52 0.13 -0.04 0.00 2.79 0.00 0.00 35.95 39.34 1vre h PHE 34 CO -0.31 -0.16 0.34 -0.07 -2.23 0.00 0.00 178.31 175.88 1vre h LEU 35 N -0.14 0.54 0.44 0.59 3.38 0.20 0.41 115.31 120.73 1vre h LEU 35 Ca 0.06 0.01 -0.02 0.00 0.09 0.00 0.00 57.88 58.02 1vre h LEU 35 Cb 0.23 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 40.88 1vre h LEU 35 CO -0.16 0.38 -0.21 -1.28 0.09 0.00 0.00 178.44 177.26 1vre h SER 36 N 0.67 -0.50 -0.32 -0.43 0.87 0.26 -2.93 113.55 111.15 1vre h SER 36 Ca 0.24 0.02 0.09 0.00 -1.23 0.00 0.00 61.79 60.91 1vre h SER 36 Cb 0.05 0.13 -0.01 0.00 -0.44 0.00 0.00 62.40 62.13 1vre h SER 36 CO -0.11 -0.23 0.43 0.00 -0.53 0.00 0.00 176.83 176.39 1vre h ALA 37 N -1.46 1.95 -3.50 6.23 0.00 0.86 -3.30 119.26 120.04 1vre h ALA 37 Ca -0.06 -0.01 -0.63 0.00 0.00 0.00 0.00 54.91 54.21 1vre h ALA 37 Cb 0.46 0.02 -0.40 0.00 0.00 0.00 0.00 17.79 17.87 1vre h ALA 37 CO 0.10 -0.60 -0.74 -1.01 0.00 0.00 0.00 179.25 177.00 1vre s HIS 38 N -4.50 2.84 -0.51 0.00 3.76 0.14 -4.94 115.29 112.08 1vre s HIS 38 Ca -0.04 -2.36 0.24 0.00 -0.15 0.00 0.00 55.06 52.74 1vre s HIS 38 Cb 0.14 -2.28 0.37 0.00 1.11 0.00 0.00 32.58 31.91 1vre s HIS 38 CO 0.48 -0.90 1.44 0.45 -0.85 0.00 0.00 174.74 175.37 1vre h HIS 39 N 7.83 0.00 0.00 1.40 -0.00 -1.64 -2.78 115.15 119.96 1vre h HIS 39 Ca -0.10 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.27 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 0.43 0.00 0.00 0.38 -0.00 0.00 0.00 177.93 178.74 1vre h ASP 40 N 0.00 0.00 0.00 2.45 2.03 -1.92 -3.04 116.42 115.94 1vre h ASP 40 Ca 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.30 1vre h ASP 40 Cb 0.87 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.37 1vre h ASP 40 CO 0.00 0.00 -0.50 0.23 -1.03 0.00 0.00 179.24 177.94 1vre n MET 41 N -2.47 3.48 -0.27 4.15 2.81 -1.22 -4.57 117.12 119.03 1vre n MET 41 Ca 0.01 0.00 0.08 0.00 -1.81 0.00 0.00 57.70 55.97 1vre n MET 41 Cb 0.21 -0.75 0.21 0.00 -0.71 0.00 0.00 33.22 32.18 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 0.00 1.09 0.00 3.04 0.00 -1.37 0.37 119.26 122.39 1vre h ALA 42 Ca 0.00 0.16 -0.15 0.00 0.00 0.00 0.00 54.91 54.92 1vre h ALA 42 Cb 0.00 0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 1vre h ALA 42 CO 0.00 -0.33 -0.73 0.00 0.00 0.00 0.00 179.25 178.19 1vre h ALA 43 N 1.63 0.77 0.00 0.00 0.00 -1.72 -2.75 119.26 117.19 1vre h ALA 43 Ca 0.45 -0.67 -0.01 0.00 0.00 0.00 0.00 54.91 54.69 1vre h ALA 43 Cb 0.79 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.46 1vre h ALA 43 CO -0.51 0.91 -0.04 0.28 0.00 0.00 0.00 179.25 179.90 1vre h VAL 44 N 0.00 0.82 0.00 0.00 2.07 -0.55 -1.26 116.25 117.34 1vre h VAL 44 Ca -0.01 -0.13 -0.18 0.00 0.82 0.00 0.00 66.70 67.20 1vre h VAL 44 Cb 1.31 1.07 -0.03 0.00 -1.52 0.00 0.00 31.29 32.13 1vre h VAL 44 CO 0.10 0.03 -0.98 -0.26 0.02 0.00 0.00 177.57 176.48 1vre h PHE 45 N 0.00 0.00 0.00 1.57 -1.00 -1.14 -3.41 116.94 112.97 1vre h PHE 45 Ca -0.00 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.78 1vre h PHE 45 Cb 0.07 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.63 1vre h PHE 45 CO 0.00 0.78 0.00 0.41 -1.61 0.00 0.00 178.31 177.89 1vre n GLY 46 N 1.34 1.65 3.71 -1.45 0.00 -0.47 -5.04 105.19 104.92 1vre n GLY 46 Ca -0.03 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.71 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 2.30 -0.18 1.61 0.08 -1.05 -4.97 117.98 113.77 1vre s PHE 47 Ca 0.00 -0.74 0.16 0.00 0.12 0.00 0.00 56.93 56.47 1vre s PHE 47 Cb 0.00 -1.79 0.43 0.00 -0.57 0.00 0.00 43.02 41.09 1vre s PHE 47 CO 0.00 0.27 1.31 0.45 -0.10 0.00 0.00 175.22 177.15 1vre n SER 48 N -1.17 2.96 0.00 1.36 2.88 -1.26 -3.90 113.62 114.49 1vre n SER 48 Ca -0.08 -3.22 0.00 0.00 -1.33 0.00 0.00 58.87 54.24 1vre n SER 48 Cb 0.66 -0.51 0.00 0.00 -0.75 0.00 0.00 64.21 63.61 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 -0.99 -0.06 0.47 0.46 0.00 -1.26 -4.87 105.19 98.93 1vre n GLY 49 Ca 0.21 -1.63 0.03 0.00 0.00 0.00 0.00 46.02 44.63 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 -0.58 2.52 -0.99 4.61 0.00 -1.26 -3.58 120.51 121.24 1vre n ALA 50 Ca 0.00 -0.41 0.08 0.00 0.00 0.00 0.00 53.44 53.11 1vre n ALA 50 Cb 0.00 -0.99 0.30 0.00 0.00 0.00 0.00 19.45 18.76 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 0.15 4.36 -4.79 0.00 7.64 -1.26 -4.96 113.62 114.76 1vre n SER 51 Ca 0.07 -3.02 -0.36 0.00 1.01 0.00 0.00 58.87 56.57 1vre n SER 51 Cb 0.23 -0.59 -0.07 0.00 -1.01 0.00 0.00 64.21 62.77 1vre n SER 51 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1vre s ASP 52 N -1.64 6.11 0.40 6.43 2.15 -1.23 -4.96 116.67 123.93 1vre s ASP 52 Ca 0.46 0.33 0.29 0.00 0.43 0.00 0.00 52.55 54.05 1vre s ASP 52 Cb 0.37 -1.99 1.27 0.00 -0.30 0.00 0.00 42.92 42.27 1vre s ASP 52 CO 0.11 0.32 1.86 1.55 -0.17 0.00 0.00 175.17 178.84 1vre h PRO 53 N 5.61 0.00 -0.85 4.34 0.13 -1.94 -2.88 132.00 136.40 1vre h PRO 53 Ca -0.49 0.00 0.12 0.00 -0.87 0.00 0.00 66.00 64.76 1vre h PRO 53 Cb 1.20 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 32.27 1vre h PRO 53 CO 0.63 0.00 0.55 0.78 -0.23 0.00 0.00 178.00 179.73 1vre h GLY 54 N 1.73 1.13 0.29 1.56 0.00 -1.93 0.11 103.07 105.95 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 0.13 0.60 -2.08 0.00 0.00 0.00 176.54 175.19 1vre h VAL 55 N 0.71 0.64 0.00 4.60 2.07 -1.86 1.11 116.25 123.51 1vre h VAL 55 Ca 0.41 -0.09 0.00 0.00 0.82 0.00 0.00 66.70 67.84 1vre h VAL 55 Cb 0.60 0.35 0.00 0.00 -1.52 0.00 0.00 31.29 30.72 1vre h VAL 55 CO -0.17 0.05 0.00 0.00 0.02 0.00 0.00 177.57 177.46 1vre n ALA 56 N -2.58 2.25 0.06 1.67 0.00 0.38 -2.55 120.51 119.74 1vre n ALA 56 Ca 0.19 -0.03 0.05 0.00 0.00 0.00 0.00 53.44 53.65 1vre n ALA 56 Cb 0.78 -1.46 -0.05 0.00 0.00 0.00 0.00 19.45 18.72 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 -2.10 0.85 -0.03 0.00 2.03 0.37 -3.38 116.55 114.29 1vre n ASP 57 Ca 0.06 0.35 -0.02 0.00 0.52 0.00 0.00 54.79 55.70 1vre n ASP 57 Cb 0.40 0.30 -0.01 0.00 -0.72 0.00 0.00 41.12 41.10 1vre n ASP 57 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 1vre n LEU 58 N -2.79 0.65 -0.11 -2.67 4.77 -0.64 -3.97 117.00 112.23 1vre n LEU 58 Ca -0.05 0.37 0.23 0.00 -0.03 0.00 0.00 56.01 56.52 1vre n LEU 58 Cb 0.71 -0.63 0.67 0.00 -2.33 0.00 0.00 43.42 41.84 1vre n LEU 58 CO 0.42 -0.49 1.22 1.23 -1.33 0.00 0.00 177.39 178.44 1vre h GLY 59 N -0.36 0.15 1.42 -0.72 0.00 -1.66 0.40 103.07 102.30 1vre h GLY 59 Ca 0.00 -0.04 0.01 0.00 0.00 0.00 0.00 47.33 47.30 1vre h GLY 59 CO 0.00 0.00 0.39 0.00 0.00 0.00 0.00 176.54 176.93 1vre h ALA 60 N 1.64 1.59 0.06 3.60 0.00 -1.74 -2.19 119.26 122.23 1vre h ALA 60 Ca 0.35 -0.04 -0.37 0.00 0.00 0.00 0.00 54.91 54.86 1vre h ALA 60 Cb 1.29 -0.24 -0.04 0.00 0.00 0.00 0.00 17.79 18.80 1vre h ALA 60 CO -0.03 0.38 -2.17 1.63 0.00 0.00 0.00 179.25 179.06 1vre n LYS 61 N -4.45 0.71 0.08 0.00 5.02 0.66 -4.14 118.16 116.03 1vre n LYS 61 Ca 0.06 0.21 -0.14 0.00 -2.02 0.00 0.00 58.31 56.41 1vre n LYS 61 Cb 0.05 -1.64 -0.08 0.00 -0.02 0.00 0.00 35.03 33.35 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 0.04 0.11 -0.82 -0.18 2.07 -0.23 -1.00 116.25 116.24 1vre h VAL 62 Ca -0.48 0.00 0.20 0.00 0.82 0.00 0.00 66.70 67.24 1vre h VAL 62 Cb 2.00 0.11 -0.13 0.00 -1.52 0.00 0.00 31.29 31.76 1vre h VAL 62 CO 0.02 0.00 0.21 -0.07 0.02 0.00 0.00 177.57 177.76 1vre h LEU 63 N -0.63 0.02 -0.98 2.57 3.38 -1.61 0.39 115.31 118.46 1vre h LEU 63 Ca 0.03 0.17 0.25 0.00 0.09 0.00 0.00 57.88 58.43 1vre h LEU 63 Cb 0.68 0.23 -0.13 0.00 0.09 0.00 0.00 40.66 41.53 1vre h LEU 63 CO -0.31 -0.09 0.53 0.00 0.09 0.00 0.00 178.44 178.67 1vre h ALA 64 N 1.70 1.72 -0.62 1.53 0.00 -1.26 0.49 119.26 122.83 1vre h ALA 64 Ca 0.49 0.15 -0.06 0.00 0.00 0.00 0.00 54.91 55.48 1vre h ALA 64 Cb 0.92 0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.76 1vre h ALA 64 CO -0.59 -0.34 0.13 0.37 0.00 0.00 0.00 179.25 178.83 1vre h GLN 65 N 0.49 1.00 -0.70 0.00 5.75 -0.05 -1.64 115.11 119.95 1vre h GLN 65 Ca 0.64 -0.25 -0.01 0.00 -0.15 0.00 0.00 58.65 58.88 1vre h GLN 65 Cb 1.26 -0.13 -0.03 0.00 1.07 0.00 0.00 27.48 29.65 1vre h GLN 65 CO -0.52 0.92 0.42 0.82 -2.65 0.00 0.00 178.83 177.82 1vre h ILE 66 N 0.91 1.20 0.27 2.39 2.04 0.13 -0.12 117.51 124.33 1vre h ILE 66 Ca 0.19 -0.44 -0.01 0.00 1.00 0.00 0.00 64.86 65.59 1vre h ILE 66 Cb 0.38 0.21 0.00 0.00 -0.74 0.00 0.00 36.82 36.68 1vre h ILE 66 CO 0.01 0.21 -0.13 1.23 0.00 0.00 0.00 178.15 179.46 1vre h GLY 67 N 1.00 -0.39 1.71 5.37 0.00 -0.64 0.46 103.07 110.59 1vre h GLY 67 Ca 0.25 0.14 0.03 0.00 0.00 0.00 0.00 47.33 47.75 1vre h GLY 67 CO -0.05 -0.14 0.12 -2.08 0.00 0.00 0.00 176.54 174.39 1vre h VAL 68 N -0.65 0.43 0.08 4.60 2.07 -1.00 -0.40 116.25 121.38 1vre h VAL 68 Ca -0.04 0.00 -0.29 0.00 0.82 0.00 0.00 66.70 67.19 1vre h VAL 68 Cb 0.46 0.90 -0.02 0.00 -1.52 0.00 0.00 31.29 31.11 1vre h VAL 68 CO 0.06 0.00 -1.51 0.00 0.02 0.00 0.00 177.57 176.14 1vre h ALA 69 N 1.85 0.38 0.00 1.67 0.00 -0.49 -3.26 119.26 119.40 1vre h ALA 69 Ca 0.04 -1.16 0.00 0.00 0.00 0.00 0.00 54.91 53.80 1vre h ALA 69 Cb 0.28 0.28 0.00 0.00 0.00 0.00 0.00 17.79 18.35 1vre h ALA 69 CO -0.00 1.24 0.00 0.28 0.00 0.00 0.00 179.25 180.77 1vre h VAL 70 N 0.05 0.00 -0.70 0.00 2.07 0.16 -2.42 116.25 115.41 1vre h VAL 70 Ca -0.23 -0.18 -0.02 0.00 0.82 0.00 0.00 66.70 67.09 1vre h VAL 70 Cb 1.98 1.13 -0.03 0.00 -1.52 0.00 0.00 31.29 32.85 1vre h VAL 70 CO 0.14 0.00 0.35 0.28 0.02 0.00 0.00 177.57 178.36 1vre h SER 71 N 0.00 0.91 -3.00 0.57 0.02 -1.52 -3.36 113.55 107.17 1vre h SER 71 Ca 0.00 -0.12 -0.61 0.00 -0.84 0.00 0.00 61.79 60.22 1vre h SER 71 Cb 0.19 -0.23 -0.40 0.00 0.14 0.00 0.00 62.40 62.10 1vre h SER 71 CO 0.00 0.78 -0.78 -1.00 -1.14 0.00 0.00 176.83 174.69 1vre s HIS 72 N -5.74 2.03 -0.10 3.45 3.76 -0.91 -4.95 115.29 112.84 1vre s HIS 72 Ca -0.13 -2.58 -0.23 0.00 -0.15 0.00 0.00 55.06 51.97 1vre s HIS 72 Cb 0.14 -1.74 -0.28 0.00 1.11 0.00 0.00 32.58 31.81 1vre s HIS 72 CO 0.80 -0.74 0.75 -0.07 -0.85 0.00 0.00 174.74 174.63 1vre h LEU 73 N 6.08 0.27 0.00 0.89 3.38 -1.71 -3.33 115.31 120.89 1vre h LEU 73 Ca 0.12 -0.92 -0.06 0.00 0.09 0.00 0.00 57.88 57.11 1vre h LEU 73 Cb 0.88 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.54 1vre h LEU 73 CO 0.49 1.31 -0.34 1.23 0.09 0.00 0.00 178.44 181.22 1vre h GLY 74 N -0.56 0.00 -6.55 0.83 0.00 -1.92 -3.43 103.07 91.44 1vre h GLY 74 Ca -0.14 0.00 -0.61 0.00 0.00 0.00 0.00 47.33 46.58 1vre h GLY 74 CO 0.06 0.00 0.18 0.99 0.00 0.00 0.00 176.54 177.77 1vre s ASP 75 N -6.28 6.55 -0.54 0.19 1.11 -1.25 -4.95 116.67 111.50 1vre s ASP 75 Ca 0.05 0.56 0.03 0.00 0.18 0.00 0.00 52.55 53.37 1vre s ASP 75 Cb 0.07 -2.34 0.41 0.00 1.07 0.00 0.00 42.92 42.12 1vre s ASP 75 CO 0.72 -0.45 1.37 -0.62 1.18 0.00 0.00 175.17 177.37 1vre n GLU 76 N 5.85 3.25 -0.01 8.23 1.02 -1.26 -4.48 120.64 133.24 1vre n GLU 76 Ca -0.00 -4.20 0.08 0.00 -0.02 0.00 0.00 57.16 53.01 1vre n GLU 76 Cb 0.49 -2.26 -0.12 0.00 -0.02 0.00 0.00 31.44 29.53 1vre n GLU 76 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1vre n GLY 77 N -0.52 -0.70 1.01 0.62 0.00 -1.26 -4.68 105.19 99.65 1vre n GLY 77 Ca 0.44 -0.37 0.00 0.00 0.00 0.00 0.00 46.02 46.09 1vre n GLY 77 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1vre n LYS 78 N -2.03 0.00 -0.29 1.61 4.81 -1.26 -4.73 118.16 116.27 1vre n LYS 78 Ca -0.03 0.00 0.27 0.00 -0.87 0.00 0.00 58.31 57.69 1vre n LYS 78 Cb 0.40 -0.27 0.62 0.00 0.02 0.00 0.00 35.03 35.80 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 0.19 0.00 1.64 4.05 -1.87 1.10 114.93 120.05 1vre h MET 79 Ca 0.00 -0.01 -0.04 0.00 -0.28 0.00 0.00 59.70 59.36 1vre h MET 79 Cb 0.07 -0.04 -0.01 0.00 -0.80 0.00 0.00 31.60 30.82 1vre h MET 79 CO 0.00 0.13 -0.21 0.28 0.23 0.00 0.00 176.91 177.34 1vre h VAL 80 N 0.20 0.40 0.00 -5.77 2.07 -1.85 -2.98 116.25 108.32 1vre h VAL 80 Ca 0.54 -1.36 0.00 0.00 0.82 0.00 0.00 66.70 66.70 1vre h VAL 80 Cb 1.75 2.02 0.00 0.00 -1.52 0.00 0.00 31.29 33.54 1vre h VAL 80 CO -0.14 0.21 0.00 0.00 0.02 0.00 0.00 177.57 177.65 1vre h ALA 81 N 1.79 1.00 0.00 1.67 0.00 0.98 -2.13 119.26 122.56 1vre h ALA 81 Ca -0.00 0.00 -0.30 0.00 0.00 0.00 0.00 54.91 54.61 1vre h ALA 81 Cb 1.01 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.75 1vre h ALA 81 CO 0.03 0.00 -1.62 0.39 0.00 0.00 0.00 179.25 178.05 1vre n GLU 82 N -2.76 0.57 -0.13 0.00 1.02 -1.12 -3.83 120.64 114.41 1vre n GLU 82 Ca 0.02 0.49 -0.08 0.00 -0.02 0.00 0.00 57.16 57.57 1vre n GLU 82 Cb 0.33 -1.68 -0.00 0.00 -0.02 0.00 0.00 31.44 30.07 1vre n GLU 82 CO 0.00 0.00 0.00 0.52 1.18 0.00 0.00 177.13 178.83 1vre h MET 83 N -0.98 0.53 -0.85 3.49 2.86 -1.59 -0.01 114.93 118.39 1vre h MET 83 Ca -0.45 -0.05 0.23 0.00 -2.06 0.00 0.00 59.70 57.38 1vre h MET 83 Cb 1.40 -0.11 -0.04 0.00 0.06 0.00 0.00 31.60 32.91 1vre h MET 83 CO -0.27 0.39 0.60 0.87 1.06 0.00 0.00 176.91 179.56 1vre h LYS 84 N 0.52 0.09 0.05 1.72 1.57 -1.25 0.75 116.57 120.02 1vre h LYS 84 Ca 0.14 -0.01 -0.23 0.00 -1.87 0.00 0.00 60.65 58.69 1vre h LYS 84 Cb -0.01 -0.02 -0.02 0.00 0.08 0.00 0.00 32.23 32.27 1vre h LYS 84 CO -0.03 0.06 -1.07 0.00 -0.57 0.00 0.00 179.45 177.85 1vre h ALA 85 N 1.59 0.29 -0.32 3.86 0.00 -1.17 -2.59 119.26 120.92 1vre h ALA 85 Ca 0.41 -0.88 -0.14 0.00 0.00 0.00 0.00 54.91 54.31 1vre h ALA 85 Cb 1.49 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 19.19 1vre h ALA 85 CO -0.05 1.11 -0.33 0.28 0.00 0.00 0.00 179.25 180.27 1vre h VAL 86 N 0.04 1.29 -0.40 0.00 2.07 0.19 -2.34 116.25 117.10 1vre h VAL 86 Ca -0.06 -1.50 -0.07 0.00 0.82 0.00 0.00 66.70 65.90 1vre h VAL 86 Cb 1.80 1.52 -0.01 0.00 -1.52 0.00 0.00 31.29 33.08 1vre h VAL 86 CO 0.16 0.49 -0.01 1.23 0.02 0.00 0.00 177.57 179.46 1vre h GLY 87 N 0.56 0.76 1.85 2.17 0.00 -0.87 -1.22 103.07 106.32 1vre h GLY 87 Ca 0.05 -0.57 0.02 0.00 0.00 0.00 0.00 47.33 46.83 1vre h GLY 87 CO 0.08 0.52 0.05 -2.08 0.00 0.00 0.00 176.54 175.11 1vre h VAL 88 N 0.53 0.90 0.02 4.60 2.07 -1.40 -1.82 116.25 121.16 1vre h VAL 88 Ca 0.11 0.00 -0.12 0.00 0.82 0.00 0.00 66.70 67.51 1vre h VAL 88 Cb 0.49 0.96 0.01 0.00 -1.52 0.00 0.00 31.29 31.23 1vre h VAL 88 CO 0.02 0.00 -0.48 0.03 0.02 0.00 0.00 177.57 177.16 1vre h ARG 89 N 0.00 0.29 -0.01 1.57 2.47 -0.84 -3.08 114.38 114.78 1vre h ARG 89 Ca 0.03 -0.34 0.00 0.00 -1.26 0.00 0.00 59.98 58.41 1vre h ARG 89 Cb 0.14 0.10 -0.00 0.00 -1.65 0.00 0.00 29.97 28.56 1vre h ARG 89 CO -0.00 1.06 0.04 0.45 0.56 0.00 0.00 179.97 182.08 1vre h HIS 90 N -0.32 0.00 0.00 3.04 3.86 -0.54 0.85 115.15 122.04 1vre h HIS 90 Ca -0.07 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.14 1vre h HIS 90 Cb 1.24 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.71 1vre h HIS 90 CO 0.17 0.00 0.00 1.17 0.86 0.00 0.00 177.93 180.13 1vre n LYS 91 N -3.15 0.02 -2.85 2.45 4.81 -0.75 -3.54 118.16 115.15 1vre n LYS 91 Ca -0.03 0.23 -0.12 0.00 -0.87 0.00 0.00 58.31 57.53 1vre n LYS 91 Cb 0.11 -1.50 0.03 0.00 0.02 0.00 0.00 35.03 33.69 1vre n LYS 91 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1vre n GLY 92 N 0.03 2.07 0.00 3.14 0.00 0.29 -4.82 105.19 105.90 1vre n GLY 92 Ca 0.04 -1.09 0.00 0.00 0.00 0.00 0.00 46.02 44.97 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 0.03 -3.20 0.07 1.61 4.02 -1.22 -4.96 117.16 113.51 1vre n TYR 93 Ca 0.12 0.00 -0.15 0.00 -0.01 0.00 0.00 57.90 57.86 1vre n TYR 93 Cb 0.76 0.00 -0.07 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 0.50 2.00 2.72 0.00 -1.94 -3.22 103.07 103.12 1vre h GLY 94 Ca 0.00 -0.92 -0.10 0.00 0.00 0.00 0.00 47.33 46.32 1vre h GLY 94 CO 0.00 0.81 -0.46 3.45 0.00 0.00 0.00 176.54 180.34 1vre h ASN 95 N 0.24 0.00 -3.08 0.19 -1.07 -1.92 -3.46 115.58 106.48 1vre h ASN 95 Ca -0.10 0.00 -0.24 0.00 0.07 0.00 0.00 56.30 56.03 1vre h ASN 95 Cb 1.66 0.00 -0.04 0.00 -2.07 0.00 0.00 38.32 37.87 1vre h ASN 95 CO 0.18 0.46 -0.28 1.17 0.07 0.00 0.00 177.43 179.03 1vre n LYS 96 N -3.23 -1.93 -2.61 4.14 4.81 -1.22 -4.78 118.16 113.34 1vre n LYS 96 Ca 0.02 0.62 -0.09 0.00 -0.87 0.00 0.00 58.31 57.99 1vre n LYS 96 Cb 0.71 -5.10 0.04 0.00 0.02 0.00 0.00 35.03 30.70 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 -2.86 1.72 -2.75 5.64 8.25 -1.26 -5.01 115.22 118.94 1vre n HIS 97 Ca -0.14 -2.38 -0.30 0.00 -0.26 0.00 0.00 57.72 54.65 1vre n HIS 97 Cb 0.54 -0.27 -0.02 0.00 1.12 0.00 0.00 29.99 31.36 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 -3.97 4.81 -0.09 1.59 1.01 -1.26 -4.99 121.20 118.29 1vre s ILE 98 Ca 0.34 0.55 -0.14 0.00 0.00 0.00 0.00 60.65 61.39 1vre s ILE 98 Cb 0.37 -3.77 0.03 0.00 0.01 0.00 0.00 42.46 39.11 1vre s ILE 98 CO -0.02 -0.63 0.36 -0.54 0.00 0.00 0.00 174.94 174.11 1vre s LYS 99 N -4.12 0.53 0.00 2.79 3.01 -1.26 -4.96 119.74 115.73 1vre s LYS 99 Ca 0.51 0.26 0.29 0.00 -1.01 0.00 0.00 55.97 56.02 1vre s LYS 99 Cb -0.10 0.25 1.42 0.00 -1.01 0.00 0.00 37.83 38.38 1vre s LYS 99 CO 0.35 -0.10 1.98 0.00 0.51 0.00 0.00 175.35 178.09 1vre n ALA 100 N 2.28 2.40 0.15 5.17 0.00 -1.26 -3.16 120.51 126.09 1vre n ALA 100 Ca -0.16 -0.13 0.01 0.00 0.00 0.00 0.00 53.44 53.15 1vre n ALA 100 Cb 0.57 -1.47 0.20 0.00 0.00 0.00 0.00 19.45 18.75 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 4.11 -2.03 -2.86 114.58 113.79 1vre h GLU 101 Ca 0.00 0.00 -0.01 0.00 0.07 0.00 0.00 59.36 59.42 1vre h GLU 101 Cb 0.30 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.55 1vre h GLU 101 CO 0.00 0.57 -0.04 1.88 0.07 0.00 0.00 179.01 181.48 1vre h TYR 102 N 0.00 0.00 0.14 2.06 0.05 -1.98 -3.36 116.97 113.87 1vre h TYR 102 Ca -0.01 0.00 -0.01 0.00 0.05 0.00 0.00 58.73 58.77 1vre h TYR 102 Cb 1.08 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 38.82 1vre h TYR 102 CO 0.00 0.04 -0.09 0.74 -1.05 0.00 0.00 178.16 177.80 1vre h PHE 103 N 0.00 -0.25 -0.67 4.88 -1.00 -1.64 0.25 116.94 118.50 1vre h PHE 103 Ca -0.00 -0.00 0.07 0.00 2.81 0.00 0.00 57.97 60.85 1vre h PHE 103 Cb 1.03 0.09 -0.10 0.00 3.61 0.00 0.00 35.95 40.58 1vre h PHE 103 CO 0.00 -0.14 -0.57 0.93 -1.61 0.00 0.00 178.31 176.92 1vre h GLU 104 N -0.22 -0.21 -0.80 1.51 5.08 -1.72 0.56 114.58 118.78 1vre h GLU 104 Ca -0.02 0.01 0.08 0.00 -1.00 0.00 0.00 59.36 58.43 1vre h GLU 104 Cb 0.18 0.05 -0.07 0.00 0.50 0.00 0.00 28.75 29.41 1vre h GLU 104 CO 0.01 -0.14 0.47 -1.00 -1.00 0.00 0.00 179.01 177.35 1vre h PRO 105 N -0.22 0.80 0.00 2.33 0.13 -1.70 0.95 132.00 134.29 1vre h PRO 105 Ca 0.11 -0.05 -0.05 0.00 -0.87 0.00 0.00 66.00 65.14 1vre h PRO 105 Cb 0.51 -0.18 -0.01 0.00 0.13 0.00 0.00 31.00 31.46 1vre h PRO 105 CO -0.75 0.53 -0.24 1.25 -0.23 0.00 0.00 178.00 178.55 1vre h LEU 106 N 0.82 0.00 -0.09 1.56 7.12 0.21 -2.17 115.31 122.77 1vre h LEU 106 Ca 0.37 0.00 -0.25 0.00 0.13 0.00 0.00 57.88 58.14 1vre h LEU 106 Cb 0.28 0.00 0.01 0.00 -0.53 0.00 0.00 40.66 40.42 1vre h LEU 106 CO -0.22 0.24 -0.96 1.23 -0.13 0.00 0.00 178.44 178.61 1vre h GLY 107 N 1.11 0.72 0.78 3.75 0.00 0.24 -2.56 103.07 107.10 1vre h GLY 107 Ca -0.00 -1.20 -0.01 0.00 0.00 0.00 0.00 47.33 46.12 1vre h GLY 107 CO 0.03 1.06 0.01 0.00 0.00 0.00 0.00 176.54 177.64 1vre h ALA 108 N 0.53 0.14 0.00 3.60 0.00 -0.77 -2.41 119.26 120.35 1vre h ALA 108 Ca -0.10 -0.16 -0.02 0.00 0.00 0.00 0.00 54.91 54.63 1vre h ALA 108 Cb 1.60 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 19.35 1vre h ALA 108 CO 0.18 -0.20 -0.07 0.77 0.00 0.00 0.00 179.25 179.93 1vre h SER 109 N -0.07 0.00 -0.34 0.00 0.02 -1.47 -2.06 113.55 109.63 1vre h SER 109 Ca 0.03 0.00 -0.17 0.00 -0.84 0.00 0.00 61.79 60.81 1vre h SER 109 Cb 0.31 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.84 1vre h SER 109 CO 0.00 0.07 -0.44 0.25 -1.14 0.00 0.00 176.83 175.57 1vre h LEU 110 N 0.00 0.98 -1.80 5.07 6.46 -1.01 -2.85 115.31 122.17 1vre h LEU 110 Ca -0.00 -0.49 0.03 0.00 -0.12 0.00 0.00 57.88 57.30 1vre h LEU 110 Cb 0.17 -0.28 -0.01 0.00 -0.73 0.00 0.00 40.66 39.81 1vre h LEU 110 CO 0.01 1.28 0.19 -0.07 -0.62 0.00 0.00 178.44 179.24 1vre h LEU 111 N 0.71 0.23 -1.05 2.25 3.38 -0.91 0.69 115.31 120.60 1vre h LEU 111 Ca 0.04 -0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.92 1vre h LEU 111 Cb 1.05 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.73 1vre h LEU 111 CO 0.11 0.16 -0.41 -1.28 0.09 0.00 0.00 178.44 177.10 1vre h SER 112 N 0.26 0.00 0.49 -0.43 0.87 -1.44 -3.07 113.55 110.25 1vre h SER 112 Ca 0.12 0.00 -0.30 0.00 -1.23 0.00 0.00 61.79 60.38 1vre h SER 112 Cb 0.15 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.10 1vre h SER 112 CO -0.02 0.41 -1.50 0.00 -0.53 0.00 0.00 176.83 175.19 1vre h ALA 113 N 1.59 0.30 -0.64 6.23 0.00 -0.85 -3.35 119.26 122.54 1vre h ALA 113 Ca -0.00 -1.11 0.13 0.00 0.00 0.00 0.00 54.91 53.92 1vre h ALA 113 Cb 0.84 0.25 -0.12 0.00 0.00 0.00 0.00 17.79 18.76 1vre h ALA 113 CO 0.05 1.16 -0.18 0.52 0.00 0.00 0.00 179.25 180.81 1vre h MET 114 N 0.06 -0.02 -0.61 0.00 2.07 -0.98 0.56 114.93 116.02 1vre h MET 114 Ca -0.23 0.00 0.18 0.00 -2.07 0.00 0.00 59.70 57.58 1vre h MET 114 Cb 2.00 0.00 -0.02 0.00 -1.87 0.00 0.00 31.60 31.71 1vre h MET 114 CO 0.16 -0.01 0.77 1.05 1.07 0.00 0.00 176.91 179.95 1vre h GLU 115 N -0.02 0.00 -0.68 1.72 4.11 -1.69 0.26 114.58 118.28 1vre h GLU 115 Ca 0.30 0.00 0.18 0.00 0.07 0.00 0.00 59.36 59.91 1vre h GLU 115 Cb 0.48 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.70 1vre h GLU 115 CO -0.67 0.00 0.48 0.45 0.07 0.00 0.00 179.01 179.34 1vre h HIS 116 N 0.00 0.15 0.00 2.06 3.86 -0.07 1.56 115.15 122.71 1vre h HIS 116 Ca 0.29 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.50 1vre h HIS 116 Cb 1.83 -0.05 0.00 0.00 1.06 0.00 0.00 27.41 30.25 1vre h HIS 116 CO 0.00 0.05 -0.10 -2.13 0.86 0.00 0.00 177.93 176.62 1vre n ARG 117 N -4.39 0.07 0.09 2.45 0.00 0.93 -4.62 116.66 111.19 1vre n ARG 117 Ca 0.13 0.25 -0.13 0.00 -0.00 0.00 0.00 57.85 58.10 1vre n ARG 117 Cb 0.67 -0.86 -0.09 0.00 0.00 0.00 0.00 32.46 32.19 1vre n ARG 117 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 177.63 176.79 1vre h ILE 118 N -0.16 1.50 0.00 5.15 3.07 -1.59 -3.46 117.51 122.02 1vre h ILE 118 Ca 0.00 -2.86 0.00 0.00 1.55 0.00 0.00 64.86 63.55 1vre h ILE 118 Cb 0.10 2.71 0.00 0.00 -0.27 0.00 0.00 36.82 39.36 1vre h ILE 118 CO 0.00 0.84 0.00 0.61 -1.05 0.00 0.00 178.15 178.55 1vre n GLY 119 N 1.24 0.61 0.35 0.16 0.00 0.53 -0.38 105.19 107.70 1vre n GLY 119 Ca -0.06 0.75 0.22 0.00 0.00 0.00 0.00 46.02 46.92 1vre n GLY 119 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1vre h GLY 120 N 0.00 1.89 2.00 -0.02 0.00 -1.89 1.49 103.07 106.54 1vre h GLY 120 Ca 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 47.33 47.07 1vre h GLY 120 CO 0.00 -0.35 0.00 0.50 0.00 0.00 0.00 176.54 176.69 1vre h LYS 121 N 0.43 0.00 -6.59 4.80 1.57 -1.09 -3.41 116.57 112.28 1vre h LYS 121 Ca 0.69 0.00 -0.55 0.00 -1.87 0.00 0.00 60.65 58.91 1vre h LYS 121 Cb 1.51 0.00 -0.07 0.00 0.08 0.00 0.00 32.23 33.75 1vre h LYS 121 CO -0.51 0.00 0.98 1.41 -0.57 0.00 0.00 179.45 180.76 1vre s MET 122 N -3.43 3.54 0.07 3.15 1.75 0.51 -4.95 119.30 119.95 1vre s MET 122 Ca 0.04 0.37 0.01 0.00 -1.25 0.00 0.00 55.69 54.85 1vre s MET 122 Cb 0.09 -4.00 0.01 0.00 2.84 0.00 0.00 34.83 33.76 1vre s MET 122 CO 0.54 -1.64 0.04 0.27 -0.65 0.00 0.00 175.02 173.59 1vre n ASN 123 N 8.44 1.38 -0.00 1.11 6.94 -1.26 -4.89 115.26 126.97 1vre n ASN 123 Ca 0.10 -1.25 -0.11 0.00 -0.02 0.00 0.00 54.58 53.30 1vre n ASN 123 Cb 0.49 0.00 -0.05 0.00 -2.36 0.00 0.00 39.78 37.86 1vre n ASN 123 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1vre h ALA 124 N 0.79 0.12 -0.02 -2.53 0.00 -1.98 -0.55 119.26 115.10 1vre h ALA 124 Ca -0.05 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.85 1vre h ALA 124 Cb 0.16 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 17.91 1vre h ALA 124 CO 0.07 -0.37 0.11 0.00 0.00 0.00 0.00 179.25 179.06 1vre h ALA 125 N 1.01 1.19 0.00 0.00 0.00 -1.97 0.64 119.26 120.14 1vre h ALA 125 Ca 0.04 -0.00 -0.05 0.00 0.00 0.00 0.00 54.91 54.89 1vre h ALA 125 Cb 0.01 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 1vre h ALA 125 CO -0.01 -0.12 -0.45 0.00 0.00 0.00 0.00 179.25 178.67 1vre h ALA 126 N 1.79 0.06 0.00 0.00 0.00 -1.52 -2.57 119.26 117.03 1vre h ALA 126 Ca 0.01 -0.54 -0.05 0.00 0.00 0.00 0.00 54.91 54.33 1vre h ALA 126 Cb 0.23 0.33 -0.01 0.00 0.00 0.00 0.00 17.79 18.35 1vre h ALA 126 CO -0.00 0.32 -0.23 1.57 0.00 0.00 0.00 179.25 180.91 1vre h LYS 127 N -1.00 0.00 0.12 0.00 2.10 -0.83 -1.38 116.57 115.58 1vre h LYS 127 Ca -0.08 0.00 -0.16 0.00 -2.00 0.00 0.00 60.65 58.41 1vre h LYS 127 Cb 0.65 0.00 0.02 0.00 -0.90 0.00 0.00 32.23 32.00 1vre h LYS 127 CO -0.05 0.23 -0.70 0.22 -2.00 0.00 0.00 179.45 177.16 1vre h ASP 128 N 0.00 0.40 -0.28 7.07 1.82 0.14 -2.11 116.42 123.47 1vre h ASP 128 Ca -0.00 -0.96 -0.03 0.00 -0.39 0.00 0.00 57.03 55.64 1vre h ASP 128 Cb 0.66 -0.13 -0.01 0.00 0.68 0.00 0.00 39.33 40.53 1vre h ASP 128 CO 0.03 1.34 0.04 0.00 -1.61 0.00 0.00 179.24 179.04 1vre h ALA 129 N 0.07 0.37 0.00 -0.78 0.00 -1.38 -2.02 119.26 115.52 1vre h ALA 129 Ca -0.12 -0.19 -0.06 0.00 0.00 0.00 0.00 54.91 54.53 1vre h ALA 129 Cb 1.55 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 19.23 1vre h ALA 129 CO 0.13 0.06 -0.30 -1.49 0.00 0.00 0.00 179.25 177.65 1vre h TRP 130 N 0.28 0.00 0.00 0.00 4.06 -1.37 0.34 115.95 119.25 1vre h TRP 130 Ca 0.08 0.00 -0.08 0.00 2.06 0.00 0.00 58.89 60.95 1vre h TRP 130 Cb 0.34 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 28.49 1vre h TRP 130 CO 0.02 0.30 -0.39 0.00 -3.56 0.00 0.00 178.44 174.82 1vre h ALA 131 N 1.70 1.16 0.02 1.49 0.00 -0.95 -0.17 119.26 122.51 1vre h ALA 131 Ca -0.00 -0.35 -0.32 0.00 0.00 0.00 0.00 54.91 54.24 1vre h ALA 131 Cb 0.55 -0.06 -0.05 0.00 0.00 0.00 0.00 17.79 18.23 1vre h ALA 131 CO 0.04 0.49 -1.86 0.00 0.00 0.00 0.00 179.25 177.91 1vre n ALA 132 N -2.38 1.41 -0.06 0.00 0.00 -0.67 -4.13 120.51 114.67 1vre n ALA 132 Ca -0.01 -0.83 -0.16 0.00 0.00 0.00 0.00 53.44 52.45 1vre n ALA 132 Cb 0.46 -0.72 -0.05 0.00 0.00 0.00 0.00 19.45 19.15 1vre n ALA 132 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1vre h ALA 133 N 0.84 0.42 -0.76 0.00 0.00 -0.25 -2.87 119.26 116.64 1vre h ALA 133 Ca -0.35 -0.55 0.21 0.00 0.00 0.00 0.00 54.91 54.22 1vre h ALA 133 Cb 2.05 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 19.75 1vre h ALA 133 CO 0.07 0.68 0.54 1.88 0.00 0.00 0.00 179.25 182.42 1vre h TYR 134 N 0.62 0.10 -0.14 0.00 -1.99 -1.18 0.50 116.97 114.87 1vre h TYR 134 Ca -0.01 0.00 -0.16 0.00 2.00 0.00 0.00 58.73 60.57 1vre h TYR 134 Cb 1.25 -0.03 -0.01 0.00 2.00 0.00 0.00 36.73 39.94 1vre h TYR 134 CO 0.08 0.03 -0.58 0.00 -0.00 0.00 0.00 178.16 177.69 1vre h ALA 135 N 1.63 0.74 0.11 3.88 0.00 -1.66 -1.12 119.26 122.84 1vre h ALA 135 Ca 0.37 -0.53 -0.29 0.00 0.00 0.00 0.00 54.91 54.46 1vre h ALA 135 Cb 1.34 -0.08 0.03 0.00 0.00 0.00 0.00 17.79 19.08 1vre h ALA 135 CO -0.03 0.70 -1.23 0.22 0.00 0.00 0.00 179.25 178.91 1vre h ASP 136 N 0.34 0.81 0.61 0.00 1.82 -0.17 0.21 116.42 120.04 1vre h ASP 136 Ca -0.00 -0.75 -0.03 0.00 -0.39 0.00 0.00 57.03 55.86 1vre h ASP 136 Cb 1.11 -0.25 0.01 0.00 0.68 0.00 0.00 39.33 40.87 1vre h ASP 136 CO 0.10 1.56 -0.29 0.40 -1.61 0.00 0.00 179.24 179.40 1vre h ILE 137 N 0.25 0.19 0.00 2.25 2.04 -0.62 -2.30 117.51 119.32 1vre h ILE 137 Ca -0.18 -0.35 -0.07 0.00 1.00 0.00 0.00 64.86 65.26 1vre h ILE 137 Cb 1.90 0.26 -0.01 0.00 -0.74 0.00 0.00 36.82 38.23 1vre h ILE 137 CO 0.23 0.03 -0.35 -1.28 0.00 0.00 0.00 178.15 176.78 1vre h SER 138 N -1.11 0.00 0.17 1.72 0.87 -1.33 -3.07 113.55 110.80 1vre h SER 138 Ca -0.08 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.48 1vre h SER 138 Cb 0.68 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.62 1vre h SER 138 CO 0.14 0.35 -0.15 1.23 -0.53 0.00 0.00 176.83 177.87 1vre h GLY 139 N 1.35 -0.33 1.21 5.77 0.00 -0.47 -0.10 103.07 110.49 1vre h GLY 139 Ca -0.00 0.17 0.06 0.00 0.00 0.00 0.00 47.33 47.55 1vre h GLY 139 CO 0.05 -0.15 0.34 0.00 0.00 0.00 0.00 176.54 176.78 1vre h ALA 140 N 0.46 1.71 0.00 3.60 0.00 -1.31 0.70 119.26 124.41 1vre h ALA 140 Ca -0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1vre h ALA 140 Cb 0.31 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.12 1vre h ALA 140 CO -0.02 -0.44 -0.16 1.25 0.00 0.00 0.00 179.25 179.88 1vre h LEU 141 N 0.00 0.00 -3.36 0.00 6.46 -1.07 -3.03 115.31 114.30 1vre h LEU 141 Ca 0.09 -0.02 -0.32 0.00 -0.12 0.00 0.00 57.88 57.52 1vre h LEU 141 Cb 0.77 0.00 -0.15 0.00 -0.73 0.00 0.00 40.66 40.56 1vre h LEU 141 CO -0.00 0.01 0.41 -0.38 -0.62 0.00 0.00 178.44 177.85 1vre n ILE 142 N -2.74 2.63 -0.01 4.05 5.41 0.24 -3.68 119.36 125.25 1vre n ILE 142 Ca 0.04 -1.51 -0.02 0.00 1.00 0.00 0.00 62.75 62.27 1vre n ILE 142 Cb 0.50 -1.18 -0.01 0.00 -0.71 0.00 0.00 39.64 38.23 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 0.15 4.04 -0.01 4.38 7.64 -1.24 -4.74 113.62 123.84 1vre n SER 143 Ca 0.31 -0.01 0.08 0.00 1.01 0.00 0.00 58.87 60.26 1vre n SER 143 Cb 0.71 0.19 -0.12 0.00 -1.01 0.00 0.00 64.21 63.97 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 3.17 -0.69 0.00 0.23 0.00 -1.26 -4.84 105.19 101.81 1vre n GLY 144 Ca -0.04 -0.40 0.00 0.00 0.00 0.00 0.00 46.02 45.58 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 -1.93 0.00 -2.27 0.99 7.94 -1.24 -4.10 117.00 116.39 1vre n LEU 145 Ca -0.02 0.00 -0.08 0.00 -1.11 0.00 0.00 56.01 54.81 1vre n LEU 145 Cb 0.39 0.00 -0.01 0.00 0.53 0.00 0.00 43.42 44.33 1vre n LEU 145 CO 0.34 0.00 -0.09 0.00 -1.11 0.00 0.00 177.39 176.52 1vre n GLN 146 N 0.00 -2.31 -0.33 1.96 3.00 -1.26 -4.85 117.38 113.59 1vre n GLN 146 Ca 0.00 0.38 0.00 0.00 -0.01 0.00 0.00 57.00 57.37 1vre n GLN 146 Cb 0.00 -4.87 0.00 0.00 0.00 0.00 0.00 30.24 25.37 1vre n GLN 146 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.06 177.49