#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 4.04 0.00 0.99 1.43 -1.26 -4.90 118.68 118.98 1vre s LEU 2 Ca 0.00 0.44 0.05 0.00 -1.03 0.00 0.00 54.13 53.59 1vre s LEU 2 Cb 0.00 -3.29 -0.02 0.00 0.03 0.00 0.00 46.19 42.91 1vre s LEU 2 CO 0.00 -0.27 0.18 -1.54 0.23 0.00 0.00 176.35 174.95 1vre n SER 3 N -1.67 0.69 0.13 2.29 3.41 -1.26 -4.98 113.62 112.23 1vre n SER 3 Ca -0.05 -3.09 -0.01 0.00 -0.26 0.00 0.00 58.87 55.46 1vre n SER 3 Cb 0.56 1.16 0.11 0.00 -0.26 0.00 0.00 64.21 65.78 1vre n SER 3 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1vre h ALA 4 N 1.75 0.77 0.00 7.33 0.00 -1.99 -1.21 119.26 125.91 1vre h ALA 4 Ca -0.28 -0.59 -0.11 0.00 0.00 0.00 0.00 54.91 53.92 1vre h ALA 4 Cb 1.16 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.83 1vre h ALA 4 CO 0.44 0.81 -0.86 0.00 0.00 0.00 0.00 179.25 179.65 1vre h ALA 5 N 1.35 0.67 0.07 0.00 0.00 -2.01 -3.30 119.26 116.04 1vre h ALA 5 Ca -0.01 -0.54 -0.21 0.00 0.00 0.00 0.00 54.91 54.16 1vre h ALA 5 Cb 1.28 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 19.12 1vre h ALA 5 CO 0.08 0.65 -1.05 1.96 0.00 0.00 0.00 179.25 180.89 1vre h GLN 6 N 0.00 0.16 -0.87 0.00 4.20 -1.94 -3.24 115.11 113.42 1vre h GLN 6 Ca -0.06 -0.27 0.23 0.00 0.06 0.00 0.00 58.65 58.61 1vre h GLN 6 Cb 1.41 0.10 -0.05 0.00 0.30 0.00 0.00 27.48 29.24 1vre h GLN 6 CO 0.05 1.13 0.60 0.07 -0.67 0.00 0.00 178.83 180.01 1vre h ARG 7 N -0.58 0.16 -0.09 1.46 0.11 -1.36 0.43 114.38 114.51 1vre h ARG 7 Ca -0.24 -0.01 -0.04 0.00 0.10 0.00 0.00 59.98 59.79 1vre h ARG 7 Cb 1.52 -0.04 -0.00 0.00 1.11 0.00 0.00 29.97 32.56 1vre h ARG 7 CO 0.00 0.11 -0.10 1.96 0.10 0.00 0.00 179.97 182.04 1vre h GLN 8 N 0.17 0.22 -0.40 0.08 1.08 -1.66 -2.84 115.11 111.75 1vre h GLN 8 Ca 0.43 -0.12 0.10 0.00 -1.45 0.00 0.00 58.65 57.61 1vre h GLN 8 Cb 1.43 0.01 -0.02 0.00 -0.05 0.00 0.00 27.48 28.85 1vre h GLN 8 CO -0.08 0.67 0.29 0.28 -0.95 0.00 0.00 178.83 179.03 1vre h VAL 9 N -0.21 0.84 0.41 -0.54 2.07 -0.97 0.10 116.25 117.94 1vre h VAL 9 Ca 0.01 -0.03 -0.02 0.00 0.82 0.00 0.00 66.70 67.48 1vre h VAL 9 Cb 0.64 0.75 0.00 0.00 -1.52 0.00 0.00 31.29 31.16 1vre h VAL 9 CO 0.02 0.02 -0.19 0.58 0.02 0.00 0.00 177.57 178.02 1vre h VAL 10 N 0.08 0.58 0.00 2.57 2.07 -1.09 -1.13 116.25 119.33 1vre h VAL 10 Ca 0.19 -0.35 0.00 0.00 0.82 0.00 0.00 66.70 67.36 1vre h VAL 10 Cb 0.65 0.75 0.00 0.00 -1.52 0.00 0.00 31.29 31.17 1vre h VAL 10 CO -0.02 0.06 0.00 0.00 0.02 0.00 0.00 177.57 177.64 1vre n ALA 11 N -2.45 1.53 0.07 1.67 0.00 -0.76 -1.62 120.51 118.95 1vre n ALA 11 Ca -0.11 0.09 -0.02 0.00 0.00 0.00 0.00 53.44 53.40 1vre n ALA 11 Cb 0.28 -1.35 -0.07 0.00 0.00 0.00 0.00 19.45 18.31 1vre n ALA 11 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 1vre h SER 12 N 0.00 0.00 0.03 0.00 0.02 -0.43 -3.25 113.55 109.92 1vre h SER 12 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1vre h SER 12 Cb 0.28 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.82 1vre h SER 12 CO 0.00 0.72 -0.68 0.35 -1.14 0.00 0.00 176.83 176.08 1vre n THR 13 N -3.13 0.00 0.09 -2.27 -2.24 -0.48 -4.13 114.28 102.12 1vre n THR 13 Ca -0.05 -0.13 0.09 0.00 -2.27 0.00 0.00 64.05 61.69 1vre n THR 13 Cb 0.86 1.05 -0.01 0.00 -2.10 0.00 0.00 70.33 70.13 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 1.25 0.00 0.00 4.78 7.01 -1.38 -3.21 115.95 124.39 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 0.62 0.00 0.00 0.00 -2.10 0.00 0.00 29.16 27.68 1vre h TRP 14 CO 0.00 0.15 0.00 1.63 -2.79 0.00 0.00 178.44 177.43 1vre n LYS 15 N -2.76 0.97 -0.00 2.65 5.02 -1.23 -2.40 118.16 120.40 1vre n LYS 15 Ca -0.02 0.00 -0.04 0.00 -2.02 0.00 0.00 58.31 56.23 1vre n LYS 15 Cb 0.62 -1.38 -0.01 0.00 -0.02 0.00 0.00 35.03 34.23 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 -0.88 0.75 0.10 4.39 -0.08 -1.24 -4.27 116.55 115.32 1vre n ASP 16 Ca 0.18 0.11 0.00 0.00 -1.51 0.00 0.00 54.79 53.57 1vre n ASP 16 Cb 0.08 -0.26 0.31 0.00 2.34 0.00 0.00 41.12 43.59 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 -0.18 1.24 -0.82 5.18 2.04 -1.69 -2.72 117.51 120.57 1vre h ILE 17 Ca -0.07 -1.13 -0.51 0.00 1.00 0.00 0.00 64.86 64.14 1vre h ILE 17 Cb 0.70 1.43 -0.28 0.00 -0.74 0.00 0.00 36.82 37.93 1vre h ILE 17 CO -0.04 0.34 0.35 0.00 0.00 0.00 0.00 178.15 178.80 1vre n ALA 18 N -2.48 5.53 -1.00 1.87 0.00 -1.01 -2.96 120.51 120.46 1vre n ALA 18 Ca -0.01 -3.32 0.00 0.00 0.00 0.00 0.00 53.44 50.11 1vre n ALA 18 Cb 0.37 -1.24 0.00 0.00 0.00 0.00 0.00 19.45 18.57 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 -3.00 0.06 0.00 0.00 -1.03 -3.40 105.19 96.83 1vre n GLY 19 Ca 0.53 0.34 -0.08 0.00 0.00 0.00 0.00 46.02 46.81 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 -0.64 2.52 0.12 1.61 3.41 -1.26 -4.46 113.62 114.93 1vre n SER 20 Ca 0.00 -0.04 0.13 0.00 -0.26 0.00 0.00 58.87 58.70 1vre n SER 20 Cb 0.00 0.29 0.44 0.00 -0.26 0.00 0.00 64.21 64.68 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 -0.50 4.04 3.04 -1.86 -3.46 116.42 117.67 1vre h ASP 21 Ca -0.32 0.00 -0.22 0.00 -3.24 0.00 0.00 57.03 53.26 1vre h ASP 21 Cb 1.61 0.00 -0.09 0.00 -1.04 0.00 0.00 39.33 39.81 1vre h ASP 21 CO -0.02 0.00 -0.20 -3.20 -2.04 0.00 0.00 179.24 173.79 1vre n ASN 22 N -2.31 -5.29 0.00 4.15 5.15 -1.22 -1.32 115.26 114.43 1vre n ASN 22 Ca 0.04 0.26 0.00 0.00 -0.60 0.00 0.00 54.58 54.28 1vre n ASN 22 Cb 0.35 -3.72 0.00 0.00 -0.53 0.00 0.00 39.78 35.88 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 -0.34 1.00 0.39 8.20 0.00 -1.16 -4.42 105.19 108.88 1vre n GLY 23 Ca -0.11 0.00 0.20 0.00 0.00 0.00 0.00 46.02 46.11 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 2.11 -0.45 4.61 0.00 -1.44 0.99 119.26 125.08 1vre h ALA 24 Ca 0.00 0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.97 1vre h ALA 24 Cb 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.78 1vre h ALA 24 CO 0.00 -0.49 0.00 0.41 0.00 0.00 0.00 179.25 179.17 1vre n GLY 25 N -1.45 1.70 0.09 0.00 0.00 -1.26 -3.87 105.19 100.40 1vre n GLY 25 Ca 0.24 -0.55 -0.06 0.00 0.00 0.00 0.00 46.02 45.64 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 0.74 1.29 -0.06 1.61 0.31 0.34 -3.99 118.33 118.57 1vre n VAL 26 Ca 0.17 -0.78 -0.22 0.00 -0.01 0.00 0.00 64.34 63.50 1vre n VAL 26 Cb 0.58 -0.63 -0.13 0.00 -0.91 0.00 0.00 33.84 32.75 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 1.58 -0.64 0.42 2.92 0.00 -1.17 -2.01 105.19 106.28 1vre n GLY 27 Ca -0.21 -0.11 0.22 0.00 0.00 0.00 0.00 46.02 45.91 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 -0.42 0.28 0.00 1.61 2.10 -1.70 0.89 116.57 119.34 1vre h LYS 28 Ca -0.43 -0.02 -0.28 0.00 -2.00 0.00 0.00 60.65 57.92 1vre h LYS 28 Cb 1.72 -0.06 -0.05 0.00 -0.90 0.00 0.00 32.23 32.94 1vre h LYS 28 CO -0.07 0.19 -1.76 -0.85 -2.00 0.00 0.00 179.45 174.96 1vre n GLU 29 N -4.45 0.64 -0.01 0.07 0.28 -1.26 -3.79 120.64 112.12 1vre n GLU 29 Ca 0.19 0.25 -0.00 0.00 -0.16 0.00 0.00 57.16 57.44 1vre n GLU 29 Cb 0.78 -1.76 -0.00 0.00 1.43 0.00 0.00 31.44 31.88 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 -0.12 0.25 0.16 0.00 0.04 0.46 0.17 116.94 117.90 1vre h PHE 31 Ca 0.00 0.01 -0.00 0.00 2.80 0.00 0.00 57.97 60.78 1vre h PHE 31 Cb 0.03 -0.07 -0.01 0.00 2.20 0.00 0.00 35.95 38.10 1vre h PHE 31 CO -0.01 -0.03 -0.12 1.15 -0.60 0.00 0.00 178.31 178.71 1vre h THR 32 N 0.11 0.75 -0.37 -1.55 2.02 -1.65 0.36 112.91 112.58 1vre h THR 32 Ca 0.68 0.00 0.06 0.00 0.77 0.00 0.00 66.41 67.91 1vre h THR 32 Cb 2.39 0.75 -0.05 0.00 -1.74 0.00 0.00 68.15 69.49 1vre h THR 32 CO -0.15 0.00 0.07 0.11 0.37 0.00 0.00 175.52 175.92 1vre h LYS 33 N -0.28 0.18 0.08 6.66 1.57 -0.77 0.11 116.57 124.13 1vre h LYS 33 Ca -0.01 -0.01 0.02 0.00 -1.87 0.00 0.00 60.65 58.78 1vre h LYS 33 Cb 0.25 -0.04 -0.04 0.00 0.08 0.00 0.00 32.23 32.48 1vre h LYS 33 CO -0.00 0.12 -0.27 0.35 -0.57 0.00 0.00 179.45 179.08 1vre h PHE 34 N 0.19 -0.72 -0.75 -1.35 3.57 -1.16 0.23 116.94 116.95 1vre h PHE 34 Ca 0.18 0.02 0.09 0.00 3.53 0.00 0.00 57.97 61.78 1vre h PHE 34 Cb 0.21 0.31 -0.07 0.00 2.79 0.00 0.00 35.95 39.18 1vre h PHE 34 CO -0.20 -0.37 0.41 -0.07 -2.23 0.00 0.00 178.31 175.86 1vre h LEU 35 N -0.46 0.58 0.15 0.59 3.38 -0.38 0.82 115.31 119.99 1vre h LEU 35 Ca 0.04 0.05 -0.01 0.00 0.09 0.00 0.00 57.88 58.05 1vre h LEU 35 Cb 0.50 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.19 1vre h LEU 35 CO -0.18 0.34 -0.07 -1.28 0.09 0.00 0.00 178.44 177.34 1vre h SER 36 N 0.71 -0.17 -0.67 -0.43 0.87 0.12 -2.95 113.55 111.02 1vre h SER 36 Ca 0.36 0.01 0.19 0.00 -1.23 0.00 0.00 61.79 61.12 1vre h SER 36 Cb 0.32 0.04 -0.03 0.00 -0.44 0.00 0.00 62.40 62.30 1vre h SER 36 CO -0.24 -0.11 0.48 0.00 -0.53 0.00 0.00 176.83 176.43 1vre h ALA 37 N -1.87 2.62 -3.31 6.23 0.00 -0.50 -3.30 119.26 119.14 1vre h ALA 37 Ca -0.02 -0.02 -0.68 0.00 0.00 0.00 0.00 54.91 54.18 1vre h ALA 37 Cb 0.16 0.05 -0.36 0.00 0.00 0.00 0.00 17.79 17.63 1vre h ALA 37 CO 0.03 -0.81 -0.60 -1.01 0.00 0.00 0.00 179.25 176.87 1vre s HIS 38 N -5.01 3.64 -0.73 0.00 3.76 0.28 -4.91 115.29 112.32 1vre s HIS 38 Ca -0.05 -2.60 0.26 0.00 -0.15 0.00 0.00 55.06 52.52 1vre s HIS 38 Cb 0.20 -3.14 0.72 0.00 1.11 0.00 0.00 32.58 31.47 1vre s HIS 38 CO 0.75 -0.96 1.67 0.72 -0.85 0.00 0.00 174.74 176.06 1vre n HIS 39 N 4.47 0.76 0.54 1.40 -0.00 -1.19 -3.19 115.22 118.01 1vre n HIS 39 Ca -0.00 0.22 0.12 0.00 -0.00 0.00 0.00 57.72 58.06 1vre n HIS 39 Cb 0.41 -0.83 0.45 0.00 -0.00 0.00 0.00 29.99 30.03 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 -2.16 0.59 -0.06 0.41 5.75 -1.26 -3.20 116.55 116.62 1vre n ASP 40 Ca 0.05 0.60 -0.03 0.00 -0.01 0.00 0.00 54.79 55.40 1vre n ASP 40 Cb 0.42 -0.74 -0.12 0.00 -1.03 0.00 0.00 41.12 39.65 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 -2.10 1.23 -0.32 0.11 2.81 -1.19 -4.28 117.12 113.37 1vre n MET 41 Ca 0.04 -0.05 0.15 0.00 -1.81 0.00 0.00 57.70 56.03 1vre n MET 41 Cb 0.30 -1.39 0.34 0.00 -0.71 0.00 0.00 33.22 31.76 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 0.96 1.59 0.00 3.04 0.00 -1.54 1.27 119.26 124.57 1vre h ALA 42 Ca -0.31 0.15 -0.09 0.00 0.00 0.00 0.00 54.91 54.66 1vre h ALA 42 Cb 1.63 0.09 -0.01 0.00 0.00 0.00 0.00 17.79 19.50 1vre h ALA 42 CO 0.02 -0.31 -0.43 0.00 0.00 0.00 0.00 179.25 178.52 1vre h ALA 43 N 1.72 0.89 -0.06 0.00 0.00 -1.70 0.27 119.26 120.37 1vre h ALA 43 Ca 0.60 -0.40 -0.06 0.00 0.00 0.00 0.00 54.91 55.05 1vre h ALA 43 Cb 1.13 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.85 1vre h ALA 43 CO -0.50 0.54 -0.18 0.28 0.00 0.00 0.00 179.25 179.38 1vre h VAL 44 N 0.00 1.44 -0.18 0.00 2.07 0.12 -3.16 116.25 116.54 1vre h VAL 44 Ca -0.00 -1.59 -0.07 0.00 0.82 0.00 0.00 66.70 65.86 1vre h VAL 44 Cb 1.06 2.33 -0.01 0.00 -1.52 0.00 0.00 31.29 33.15 1vre h VAL 44 CO 0.06 0.44 -0.19 -0.26 0.02 0.00 0.00 177.57 177.64 1vre h PHE 45 N -0.30 0.33 0.00 1.57 -1.00 -0.35 -3.40 116.94 113.79 1vre h PHE 45 Ca -0.01 -0.05 0.00 0.00 2.81 0.00 0.00 57.97 60.72 1vre h PHE 45 Cb 0.81 -0.09 0.00 0.00 3.61 0.00 0.00 35.95 40.28 1vre h PHE 45 CO 0.13 0.48 0.00 0.41 -1.61 0.00 0.00 178.31 177.72 1vre n GLY 46 N -0.67 1.93 3.60 -1.45 0.00 -0.82 -5.06 105.19 102.72 1vre n GLY 46 Ca -0.01 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.74 1vre n GLY 46 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1vre s PHE 47 N -2.00 2.14 -0.19 1.61 0.08 0.89 -4.99 117.98 115.52 1vre s PHE 47 Ca 0.00 -0.88 0.17 0.00 0.12 0.00 0.00 56.93 56.34 1vre s PHE 47 Cb 0.00 -1.54 0.45 0.00 -0.57 0.00 0.00 43.02 41.36 1vre s PHE 47 CO 0.00 0.20 1.34 0.45 -0.10 0.00 0.00 175.22 177.11 1vre n SER 48 N -1.01 3.42 0.00 1.36 2.88 -1.26 -3.74 113.62 115.27 1vre n SER 48 Ca -0.08 -2.99 0.00 0.00 -1.33 0.00 0.00 58.87 54.47 1vre n SER 48 Cb 0.67 -0.50 0.00 0.00 -0.75 0.00 0.00 64.21 63.63 1vre n SER 48 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1vre n GLY 49 N -0.73 -0.09 2.23 0.46 0.00 -1.26 -4.91 105.19 100.89 1vre n GLY 49 Ca 0.19 -1.46 -0.29 0.00 0.00 0.00 0.00 46.02 44.46 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 -0.41 5.91 -2.28 4.61 0.00 -1.26 -4.19 120.51 122.88 1vre n ALA 50 Ca 0.00 -3.06 -0.00 0.00 0.00 0.00 0.00 53.44 50.38 1vre n ALA 50 Cb 0.00 -1.61 -0.01 0.00 0.00 0.00 0.00 19.45 17.82 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 -0.87 0.23 -4.67 0.00 3.41 -1.26 -5.00 113.62 105.45 1vre n SER 51 Ca 0.58 -1.96 -0.33 0.00 -0.26 0.00 0.00 58.87 56.90 1vre n SER 51 Cb 1.01 -0.08 -0.09 0.00 -0.26 0.00 0.00 64.21 64.79 1vre n SER 51 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 1vre s ASP 52 N -1.52 5.06 -0.45 4.04 1.11 -1.26 -4.99 116.67 118.66 1vre s ASP 52 Ca 0.19 0.00 -0.26 0.00 0.18 0.00 0.00 52.55 52.66 1vre s ASP 52 Cb 0.22 -1.32 -0.25 0.00 1.07 0.00 0.00 42.92 42.63 1vre s ASP 52 CO -0.10 0.30 1.79 -0.81 1.18 0.00 0.00 175.17 177.53 1vre n PRO 53 N 1.58 0.85 0.00 8.23 -0.04 -1.26 -3.19 135.00 141.17 1vre n PRO 53 Ca -0.15 -1.50 0.00 0.00 -0.04 0.00 0.00 63.50 61.81 1vre n PRO 53 Cb 0.53 -2.76 0.00 0.00 -0.04 0.00 0.00 33.50 31.22 1vre n PRO 53 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1vre n GLY 54 N 4.76 -0.04 0.36 0.55 0.00 -1.26 -4.89 105.19 104.67 1vre n GLY 54 Ca 0.48 -0.06 0.10 0.00 0.00 0.00 0.00 46.02 46.54 1vre n GLY 54 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1vre h VAL 55 N 0.00 0.82 0.00 1.61 2.07 -1.92 0.71 116.25 119.53 1vre h VAL 55 Ca 0.00 -0.30 -0.00 0.00 0.82 0.00 0.00 66.70 67.22 1vre h VAL 55 Cb 0.00 -0.14 -0.00 0.00 -1.52 0.00 0.00 31.29 29.63 1vre h VAL 55 CO 0.00 0.16 -0.01 0.00 0.02 0.00 0.00 177.57 177.74 1vre h ALA 56 N 1.59 1.02 0.00 1.67 0.00 -1.84 -1.12 119.26 120.58 1vre h ALA 56 Ca 0.53 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 55.39 1vre h ALA 56 Cb 0.68 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.46 1vre h ALA 56 CO -0.32 0.01 -0.58 0.22 0.00 0.00 0.00 179.25 178.58 1vre h ASP 57 N 0.00 0.00 0.52 0.00 3.58 0.01 -3.21 116.42 117.32 1vre h ASP 57 Ca -0.00 -0.13 -0.02 0.00 0.42 0.00 0.00 57.03 57.30 1vre h ASP 57 Cb 0.20 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 41.25 1vre h ASP 57 CO 0.00 0.87 -0.34 0.25 -2.88 0.00 0.00 179.24 177.15 1vre h LEU 58 N -1.00 -0.86 -2.16 2.28 6.46 -1.09 -1.65 115.31 117.29 1vre h LEU 58 Ca -0.07 0.05 0.03 0.00 -0.12 0.00 0.00 57.88 57.77 1vre h LEU 58 Cb 0.61 0.26 -0.00 0.00 -0.73 0.00 0.00 40.66 40.80 1vre h LEU 58 CO -0.04 -0.51 0.29 1.23 -0.62 0.00 0.00 178.44 178.79 1vre h GLY 59 N -0.81 0.00 1.15 3.75 0.00 -1.44 0.39 103.07 106.12 1vre h GLY 59 Ca -0.07 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.26 1vre h GLY 59 CO 0.06 0.00 -0.12 0.00 0.00 0.00 0.00 176.54 176.48 1vre n ALA 60 N -2.05 2.75 0.26 3.60 0.00 -0.66 -3.07 120.51 121.34 1vre n ALA 60 Ca -0.00 -0.24 0.03 0.00 0.00 0.00 0.00 53.44 53.24 1vre n ALA 60 Cb 0.37 -1.35 -0.04 0.00 0.00 0.00 0.00 19.45 18.43 1vre n ALA 60 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1vre n LYS 61 N -1.13 3.61 0.10 0.00 5.02 0.13 -4.55 118.16 121.34 1vre n LYS 61 Ca 0.12 -0.02 0.01 0.00 -2.02 0.00 0.00 58.31 56.41 1vre n LYS 61 Cb 0.29 -0.92 -0.02 0.00 -0.02 0.00 0.00 35.03 34.36 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 0.82 0.00 -0.18 2.07 -1.51 -3.24 116.25 114.20 1vre h VAL 62 Ca 0.00 -2.24 0.00 0.00 0.82 0.00 0.00 66.70 65.28 1vre h VAL 62 Cb 0.21 2.33 0.00 0.00 -1.52 0.00 0.00 31.29 32.31 1vre h VAL 62 CO 0.00 0.47 0.00 0.00 0.02 0.00 0.00 177.57 178.06 1vre n LEU 63 N -3.13 0.00 0.04 2.57 -0.00 -1.25 -2.87 117.00 112.35 1vre n LEU 63 Ca -0.02 0.24 -0.22 0.00 -0.00 0.00 0.00 56.01 56.01 1vre n LEU 63 Cb 0.78 -0.24 -0.14 0.00 -0.00 0.00 0.00 43.42 43.82 1vre n LEU 63 CO 0.42 -0.12 -0.42 0.00 -0.00 0.00 0.00 177.39 177.27 1vre h ALA 64 N 2.78 0.14 -0.34 1.47 0.00 -1.77 -3.13 119.26 118.41 1vre h ALA 64 Ca 0.00 -1.07 0.04 0.00 0.00 0.00 0.00 54.91 53.89 1vre h ALA 64 Cb 0.12 0.43 -0.04 0.00 0.00 0.00 0.00 17.79 18.31 1vre h ALA 64 CO 0.00 0.85 0.10 1.96 0.00 0.00 0.00 179.25 182.15 1vre h GLN 65 N -0.16 0.22 -0.62 0.00 1.08 -1.71 0.90 115.11 114.82 1vre h GLN 65 Ca -0.30 -0.01 0.07 0.00 -1.45 0.00 0.00 58.65 56.95 1vre h GLN 65 Cb 1.88 -0.05 -0.04 0.00 -0.05 0.00 0.00 27.48 29.22 1vre h GLN 65 CO 0.11 0.15 0.41 0.82 -0.95 0.00 0.00 178.83 179.37 1vre h ILE 66 N 0.23 0.97 0.56 2.54 2.04 -1.69 -0.33 117.51 121.82 1vre h ILE 66 Ca 0.16 -0.19 -0.03 0.00 1.00 0.00 0.00 64.86 65.80 1vre h ILE 66 Cb 0.15 0.37 0.01 0.00 -0.74 0.00 0.00 36.82 36.60 1vre h ILE 66 CO -0.18 0.10 -0.27 1.23 0.00 0.00 0.00 178.15 179.03 1vre h GLY 67 N 0.56 -0.79 1.63 5.37 0.00 -0.83 0.50 103.07 109.51 1vre h GLY 67 Ca 0.27 0.29 0.03 0.00 0.00 0.00 0.00 47.33 47.92 1vre h GLY 67 CO -0.08 -0.29 0.15 -2.08 0.00 0.00 0.00 176.54 174.25 1vre h VAL 68 N -1.00 0.32 0.00 4.60 2.07 -0.66 0.97 116.25 122.55 1vre h VAL 68 Ca -0.08 0.00 -0.21 0.00 0.82 0.00 0.00 66.70 67.24 1vre h VAL 68 Cb 0.64 0.87 -0.03 0.00 -1.52 0.00 0.00 31.29 31.25 1vre h VAL 68 CO 0.13 0.00 -1.30 0.00 0.02 0.00 0.00 177.57 176.42 1vre h ALA 69 N 1.78 0.64 0.00 1.67 0.00 -0.57 -3.27 119.26 119.51 1vre h ALA 69 Ca 0.05 -1.01 0.00 0.00 0.00 0.00 0.00 54.91 53.95 1vre h ALA 69 Cb 0.36 0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.36 1vre h ALA 69 CO -0.00 1.16 0.00 0.28 0.00 0.00 0.00 179.25 180.69 1vre n VAL 70 N -3.08 0.88 1.75 0.00 0.31 0.17 -2.22 118.33 116.14 1vre n VAL 70 Ca -0.08 0.22 0.06 0.00 -0.01 0.00 0.00 64.34 64.53 1vre n VAL 70 Cb 0.91 -1.06 0.31 0.00 -0.91 0.00 0.00 33.84 33.10 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 -1.88 0.47 0.00 4.52 2.88 -1.11 -4.64 113.62 113.87 1vre n SER 71 Ca 0.03 -1.71 0.00 0.00 -1.33 0.00 0.00 58.87 55.86 1vre n SER 71 Cb 0.21 -0.04 0.00 0.00 -0.75 0.00 0.00 64.21 63.63 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 -0.38 0.00 0.00 0.66 8.25 -0.94 -5.00 115.22 117.80 1vre n HIS 72 Ca 0.10 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.56 1vre n HIS 72 Cb 0.11 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.22 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 -0.11 0.00 -0.07 2.41 4.77 -1.19 -3.60 117.00 119.20 1vre n LEU 73 Ca 0.00 0.00 0.21 0.00 -0.03 0.00 0.00 56.01 56.19 1vre n LEU 73 Cb 0.00 0.00 0.67 0.00 -2.33 0.00 0.00 43.42 41.76 1vre n LEU 73 CO 0.00 0.00 1.21 1.23 -1.33 0.00 0.00 177.39 178.50 1vre h GLY 74 N 0.00 0.12 -7.69 -0.72 0.00 -1.93 -3.23 103.07 89.61 1vre h GLY 74 Ca 0.00 -0.03 -0.77 0.00 0.00 0.00 0.00 47.33 46.53 1vre h GLY 74 CO 0.00 0.01 -0.01 -0.35 0.00 0.00 0.00 176.54 176.19 1vre s ASP 75 N -6.04 6.49 -0.35 0.19 -1.08 -1.24 -4.91 116.67 109.73 1vre s ASP 75 Ca -0.05 -2.59 -0.02 0.00 -0.52 0.00 0.00 52.55 49.37 1vre s ASP 75 Cb 0.20 -2.16 0.17 0.00 -1.46 0.00 0.00 42.92 39.67 1vre s ASP 75 CO 0.75 -0.58 2.26 -0.62 0.52 0.00 0.00 175.17 177.49 1vre n GLU 76 N 4.08 1.98 -0.00 4.34 1.02 -1.22 -3.88 120.64 126.96 1vre n GLU 76 Ca 0.09 -1.79 0.03 0.00 -0.02 0.00 0.00 57.16 55.48 1vre n GLU 76 Cb 0.45 -1.78 -0.05 0.00 -0.02 0.00 0.00 31.44 30.04 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 -0.15 0.20 0.62 0.00 -1.26 -4.75 105.19 100.38 1vre n GLY 77 Ca 0.36 -0.17 0.00 0.00 0.00 0.00 0.00 46.02 46.21 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 -1.59 0.00 -0.30 1.61 4.81 -1.25 -4.70 118.16 116.74 1vre n LYS 78 Ca -0.01 0.00 0.12 0.00 -0.87 0.00 0.00 58.31 57.55 1vre n LYS 78 Cb 0.16 -0.58 0.29 0.00 0.02 0.00 0.00 35.03 34.92 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 0.43 0.00 1.64 4.05 -1.89 1.04 114.93 120.21 1vre h MET 79 Ca 0.00 -0.03 -0.00 0.00 -0.28 0.00 0.00 59.70 59.39 1vre h MET 79 Cb 0.27 -0.10 -0.00 0.00 -0.80 0.00 0.00 31.60 30.98 1vre h MET 79 CO 0.00 0.29 -0.01 0.28 0.23 0.00 0.00 176.91 177.69 1vre h VAL 80 N 0.44 0.04 -0.16 -5.77 2.07 -1.85 -2.82 116.25 108.20 1vre h VAL 80 Ca 0.54 -0.59 -0.10 0.00 0.82 0.00 0.00 66.70 67.37 1vre h VAL 80 Cb 0.97 1.56 -0.01 0.00 -1.52 0.00 0.00 31.29 32.29 1vre h VAL 80 CO -0.49 0.01 -0.34 0.00 0.02 0.00 0.00 177.57 176.78 1vre h ALA 81 N 1.99 1.12 0.06 1.67 0.00 0.86 -1.73 119.26 123.23 1vre h ALA 81 Ca -0.00 -0.37 -0.00 0.00 0.00 0.00 0.00 54.91 54.53 1vre h ALA 81 Cb 0.56 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.25 1vre h ALA 81 CO 0.00 0.56 -0.03 0.93 0.00 0.00 0.00 179.25 180.71 1vre h GLU 82 N 0.29 -0.08 -0.93 0.00 5.08 -1.27 -3.26 114.58 114.41 1vre h GLU 82 Ca 0.04 0.01 0.14 0.00 -1.00 0.00 0.00 59.36 58.54 1vre h GLU 82 Cb 0.74 0.02 -0.09 0.00 0.50 0.00 0.00 28.75 29.91 1vre h GLU 82 CO 0.06 0.50 0.55 0.52 -1.00 0.00 0.00 179.01 179.63 1vre h MET 83 N -0.91 0.79 -0.83 2.33 2.86 -1.56 0.44 114.93 118.05 1vre h MET 83 Ca -0.01 -0.05 0.22 0.00 -2.06 0.00 0.00 59.70 57.80 1vre h MET 83 Cb 0.61 -0.18 -0.04 0.00 0.06 0.00 0.00 31.60 32.04 1vre h MET 83 CO 0.01 0.52 0.57 -0.22 1.06 0.00 0.00 176.91 178.86 1vre h LYS 84 N 0.81 0.15 -0.20 1.72 3.11 -1.38 0.53 116.57 121.32 1vre h LYS 84 Ca 0.49 -0.01 -0.17 0.00 -2.81 0.00 0.00 60.65 58.16 1vre h LYS 84 Cb 0.60 -0.03 -0.00 0.00 -1.00 0.00 0.00 32.23 31.79 1vre h LYS 84 CO -0.31 0.10 -0.56 0.00 -2.81 0.00 0.00 179.45 175.87 1vre h ALA 85 N 1.61 0.66 -0.00 5.00 0.00 -0.15 -3.03 119.26 123.34 1vre h ALA 85 Ca 0.41 -0.52 0.02 0.00 0.00 0.00 0.00 54.91 54.82 1vre h ALA 85 Cb 1.36 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 19.05 1vre h ALA 85 CO -0.07 0.69 -0.12 0.28 0.00 0.00 0.00 179.25 180.03 1vre h VAL 86 N 0.46 0.70 -0.60 0.00 2.07 0.30 -1.93 116.25 117.24 1vre h VAL 86 Ca 0.01 0.00 0.11 0.00 0.82 0.00 0.00 66.70 67.64 1vre h VAL 86 Cb 1.11 0.70 -0.09 0.00 -1.52 0.00 0.00 31.29 31.49 1vre h VAL 86 CO 0.11 0.00 0.13 1.23 0.02 0.00 0.00 177.57 179.06 1vre h GLY 87 N -0.20 0.78 0.49 2.17 0.00 -1.44 0.67 103.07 105.53 1vre h GLY 87 Ca 0.05 -0.03 0.16 0.00 0.00 0.00 0.00 47.33 47.50 1vre h GLY 87 CO -0.12 -0.11 0.60 -2.08 0.00 0.00 0.00 176.54 174.82 1vre h VAL 88 N 0.26 0.30 0.00 4.60 2.07 0.64 0.80 116.25 124.92 1vre h VAL 88 Ca 0.32 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.82 1vre h VAL 88 Cb 0.47 0.52 -0.00 0.00 -1.52 0.00 0.00 31.29 30.76 1vre h VAL 88 CO -0.40 0.00 -0.13 0.03 0.02 0.00 0.00 177.57 177.08 1vre h ARG 89 N 0.00 0.00 -0.10 1.57 2.47 0.56 -3.24 114.38 115.64 1vre h ARG 89 Ca 0.26 0.00 0.03 0.00 -1.26 0.00 0.00 59.98 59.01 1vre h ARG 89 Cb 1.46 0.00 -0.00 0.00 -1.65 0.00 0.00 29.97 29.78 1vre h ARG 89 CO -0.00 0.67 0.29 0.45 0.56 0.00 0.00 179.97 181.93 1vre h HIS 90 N -1.00 0.00 0.00 3.04 3.86 -0.40 0.33 115.15 120.99 1vre h HIS 90 Ca -0.03 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.18 1vre h HIS 90 Cb 0.72 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.19 1vre h HIS 90 CO 0.16 0.00 0.00 1.17 0.86 0.00 0.00 177.93 180.12 1vre n LYS 91 N -3.20 0.11 -2.90 2.45 4.81 0.10 -3.49 118.16 116.05 1vre n LYS 91 Ca 0.00 0.41 -0.13 0.00 -0.87 0.00 0.00 58.31 57.73 1vre n LYS 91 Cb 0.37 -1.75 0.02 0.00 0.02 0.00 0.00 35.03 33.70 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 -0.32 2.24 0.00 3.14 0.00 0.12 -4.85 105.19 105.52 1vre n GLY 92 Ca 0.02 -1.14 0.00 0.00 0.00 0.00 0.00 46.02 44.90 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 0.08 0.00 0.00 1.61 4.02 -1.21 -5.03 117.16 116.62 1vre n TYR 93 Ca 0.14 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 58.03 1vre n TYR 93 Cb 0.74 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 40.06 1vre n TYR 93 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1vre n GLY 94 N 4.02 -0.32 0.19 2.72 0.00 -1.26 -4.85 105.19 105.69 1vre n GLY 94 Ca 0.00 0.04 0.02 0.00 0.00 0.00 0.00 46.02 46.08 1vre n GLY 94 CO 0.00 0.00 0.00 3.45 0.00 0.00 0.00 173.32 176.77 1vre h ASN 95 N 0.00 0.05 -1.94 1.61 -1.07 -1.88 -3.45 115.58 108.90 1vre h ASN 95 Ca 0.00 -0.02 -0.26 0.00 0.07 0.00 0.00 56.30 56.10 1vre h ASN 95 Cb 0.00 -0.01 -0.08 0.00 -2.07 0.00 0.00 38.32 36.16 1vre h ASN 95 CO 0.00 0.39 -0.25 0.29 0.07 0.00 0.00 177.43 177.93 1vre n LYS 96 N -4.11 -1.48 -2.55 4.14 5.02 -1.26 -4.79 118.16 113.12 1vre n LYS 96 Ca -0.02 0.71 -0.19 0.00 -2.02 0.00 0.00 58.31 56.80 1vre n LYS 96 Cb 0.39 -5.03 0.01 0.00 -0.02 0.00 0.00 35.03 30.39 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 -2.19 2.42 -2.48 2.13 8.25 -1.26 -5.08 115.22 117.02 1vre n HIS 97 Ca -0.13 -2.94 -0.29 0.00 -0.26 0.00 0.00 57.72 54.10 1vre n HIS 97 Cb 0.46 -0.21 -0.01 0.00 1.12 0.00 0.00 29.99 31.35 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 -4.48 4.82 -0.01 1.59 1.01 -1.26 -5.01 121.20 117.85 1vre s ILE 98 Ca 0.39 0.50 -0.03 0.00 0.00 0.00 0.00 60.65 61.51 1vre s ILE 98 Cb 0.42 -3.83 -0.00 0.00 0.01 0.00 0.00 42.46 39.06 1vre s ILE 98 CO -0.09 -0.85 0.06 -0.54 0.00 0.00 0.00 174.94 173.52 1vre s LYS 99 N -4.65 0.23 0.24 2.79 3.01 -1.26 -5.02 119.74 115.09 1vre s LYS 99 Ca 0.51 -0.20 0.25 0.00 -1.01 0.00 0.00 55.97 55.51 1vre s LYS 99 Cb -0.10 0.09 0.66 0.00 -1.01 0.00 0.00 37.83 37.47 1vre s LYS 99 CO 0.44 -0.04 1.69 0.00 0.51 0.00 0.00 175.35 177.94 1vre h ALA 100 N 5.27 0.95 0.00 5.17 0.00 -1.98 -3.17 119.26 125.50 1vre h ALA 100 Ca -0.28 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.61 1vre h ALA 100 Cb 1.20 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.99 1vre h ALA 100 CO 0.44 0.00 -0.09 0.93 0.00 0.00 0.00 179.25 180.52 1vre h GLU 101 N 0.00 0.00 0.00 0.00 4.39 -2.02 -2.52 114.58 114.43 1vre h GLU 101 Ca 0.00 0.00 -0.17 0.00 0.34 0.00 0.00 59.36 59.53 1vre h GLU 101 Cb 0.79 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 29.42 1vre h GLU 101 CO 0.00 0.09 -1.15 1.88 -1.16 0.00 0.00 179.01 178.68 1vre h TYR 102 N 0.00 0.00 0.09 4.33 -1.99 -1.99 -3.36 116.97 114.06 1vre h TYR 102 Ca -0.00 0.00 0.02 0.00 2.00 0.00 0.00 58.73 60.75 1vre h TYR 102 Cb 0.47 0.00 -0.05 0.00 2.00 0.00 0.00 36.73 39.15 1vre h TYR 102 CO 0.00 0.64 -0.49 0.74 -0.00 0.00 0.00 178.16 179.04 1vre h PHE 103 N 0.00 -1.42 0.39 4.88 -1.00 -1.56 0.20 116.94 118.42 1vre h PHE 103 Ca -0.12 0.04 -0.00 0.00 2.81 0.00 0.00 57.97 60.70 1vre h PHE 103 Cb 1.59 0.61 -0.03 0.00 3.61 0.00 0.00 35.95 41.73 1vre h PHE 103 CO 0.00 -0.57 -0.46 0.93 -1.61 0.00 0.00 178.31 176.60 1vre h GLU 104 N -0.70 -0.85 -0.46 1.51 5.08 -1.73 -1.33 114.58 116.10 1vre h GLU 104 Ca 0.01 0.06 0.09 0.00 -1.00 0.00 0.00 59.36 58.52 1vre h GLU 104 Cb 0.73 0.19 -0.10 0.00 0.50 0.00 0.00 28.75 30.07 1vre h GLU 104 CO -0.30 -0.57 -0.27 -1.35 -1.00 0.00 0.00 179.01 175.53 1vre h PRO 105 N -0.88 -0.17 0.00 2.33 0.11 -1.65 0.85 132.00 132.59 1vre h PRO 105 Ca -0.04 0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.08 1vre h PRO 105 Cb 0.80 0.04 0.00 0.00 0.11 0.00 0.00 31.00 31.94 1vre h PRO 105 CO -0.11 -0.11 0.02 1.25 -0.21 0.00 0.00 178.00 178.84 1vre h LEU 106 N -0.18 0.00 0.15 2.35 7.12 -0.30 -1.92 115.31 122.54 1vre h LEU 106 Ca 0.21 0.00 -0.28 0.00 0.13 0.00 0.00 57.88 57.93 1vre h LEU 106 Cb 0.51 0.00 0.01 0.00 -0.53 0.00 0.00 40.66 40.65 1vre h LEU 106 CO -0.56 0.00 -1.39 1.23 -0.13 0.00 0.00 178.44 177.59 1vre h GLY 107 N 0.00 0.38 0.88 3.75 0.00 0.18 -3.02 103.07 105.24 1vre h GLY 107 Ca 0.00 -0.96 -0.03 0.00 0.00 0.00 0.00 47.33 46.34 1vre h GLY 107 CO 0.00 0.84 -0.33 0.00 0.00 0.00 0.00 176.54 177.05 1vre h ALA 108 N 0.04 -0.92 0.00 3.60 0.00 -0.44 -1.96 119.26 119.58 1vre h ALA 108 Ca -0.28 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.42 1vre h ALA 108 Cb 1.87 0.36 0.00 0.00 0.00 0.00 0.00 17.79 20.01 1vre h ALA 108 CO 0.13 -0.95 0.00 1.03 0.00 0.00 0.00 179.25 179.46 1vre h SER 109 N -1.06 0.00 0.44 0.00 0.87 -1.66 -1.37 113.55 110.78 1vre h SER 109 Ca -0.09 0.00 -0.27 0.00 -1.23 0.00 0.00 61.79 60.19 1vre h SER 109 Cb 0.74 0.00 0.01 0.00 -0.44 0.00 0.00 62.40 62.71 1vre h SER 109 CO 0.15 0.00 -1.19 0.25 -0.53 0.00 0.00 176.83 175.52 1vre h LEU 110 N 0.00 0.57 -1.66 2.23 6.46 -1.24 -3.18 115.31 118.49 1vre h LEU 110 Ca 0.00 -0.55 -0.04 0.00 -0.12 0.00 0.00 57.88 57.17 1vre h LEU 110 Cb 0.03 -0.18 -0.01 0.00 -0.73 0.00 0.00 40.66 39.77 1vre h LEU 110 CO 0.00 1.39 -0.19 -0.07 -0.62 0.00 0.00 178.44 178.95 1vre h LEU 111 N 0.15 0.00 -0.95 2.25 3.38 -0.63 -1.63 115.31 117.89 1vre h LEU 111 Ca -0.14 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.74 1vre h LEU 111 Cb 1.88 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 42.61 1vre h LEU 111 CO 0.21 0.19 -0.18 -1.28 0.09 0.00 0.00 178.44 177.46 1vre h SER 112 N 0.00 0.55 0.87 -0.43 0.87 -1.53 -2.88 113.55 111.00 1vre h SER 112 Ca -0.00 -0.17 -0.23 0.00 -1.23 0.00 0.00 61.79 60.16 1vre h SER 112 Cb 0.36 -0.15 -0.02 0.00 -0.44 0.00 0.00 62.40 62.16 1vre h SER 112 CO 0.02 0.75 -1.10 0.00 -0.53 0.00 0.00 176.83 175.97 1vre h ALA 113 N 1.30 0.28 -1.05 6.23 0.00 -1.43 -3.28 119.26 121.31 1vre h ALA 113 Ca 0.08 -0.92 0.29 0.00 0.00 0.00 0.00 54.91 54.36 1vre h ALA 113 Cb 0.60 -0.09 -0.12 0.00 0.00 0.00 0.00 17.79 18.19 1vre h ALA 113 CO 0.04 1.17 0.65 0.52 0.00 0.00 0.00 179.25 181.63 1vre h MET 114 N 0.02 0.40 0.00 0.00 2.07 -1.09 1.49 114.93 117.82 1vre h MET 114 Ca -0.06 -0.02 0.00 0.00 -2.07 0.00 0.00 59.70 57.55 1vre h MET 114 Cb 1.84 -0.09 0.00 0.00 -1.87 0.00 0.00 31.60 31.48 1vre h MET 114 CO 0.15 0.26 0.00 -0.85 1.07 0.00 0.00 176.91 177.54 1vre n GLU 115 N -4.79 0.13 -0.28 1.72 -0.00 -1.24 -2.25 120.64 113.93 1vre n GLU 115 Ca 0.28 0.56 0.12 0.00 -0.00 0.00 0.00 57.16 58.12 1vre n GLU 115 Cb 0.92 -1.87 0.36 0.00 -0.00 0.00 0.00 31.44 30.85 1vre n GLU 115 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.13 177.58 1vre h HIS 116 N 0.00 0.86 0.00 -1.84 3.86 0.19 1.70 115.15 119.92 1vre h HIS 116 Ca 0.00 0.02 -0.19 0.00 -1.16 0.00 0.00 60.37 59.04 1vre h HIS 116 Cb 0.09 -0.27 -0.03 0.00 1.06 0.00 0.00 27.41 28.26 1vre h HIS 116 CO 0.00 0.31 -1.13 -0.09 0.86 0.00 0.00 177.93 177.88 1vre h ARG 117 N 0.72 0.00 -1.65 2.45 2.43 -1.63 -3.40 114.38 113.31 1vre h ARG 117 Ca 0.46 0.00 -0.67 0.00 -0.81 0.00 0.00 59.98 58.96 1vre h ARG 117 Cb 0.72 0.00 -0.35 0.00 -0.42 0.00 0.00 29.97 29.92 1vre h ARG 117 CO -0.22 0.84 0.15 0.44 -1.51 0.00 0.00 179.97 179.67 1vre n ILE 118 N -4.46 3.00 0.28 1.20 -5.35 -1.14 -4.74 119.36 108.14 1vre n ILE 118 Ca -0.28 -4.49 0.19 0.00 -0.27 0.00 0.00 62.75 57.90 1vre n ILE 118 Cb 0.61 -1.24 1.00 0.00 -1.74 0.00 0.00 39.64 38.27 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 2.70 0.00 0.67 3.28 0.00 0.24 1.55 103.07 111.51 1vre h GLY 119 Ca 0.44 0.00 -0.32 0.00 0.00 0.00 0.00 47.33 47.45 1vre h GLY 119 CO 1.15 0.00 -1.93 0.61 0.00 0.00 0.00 176.54 176.37 1vre n GLY 120 N -1.16 -0.97 0.08 4.60 0.00 -1.26 -4.27 105.19 102.21 1vre n GLY 120 Ca -0.02 -0.14 -0.01 0.00 0.00 0.00 0.00 46.02 45.85 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 -2.98 0.65 -1.61 1.61 5.02 -0.33 -4.79 118.16 115.73 1vre n LYS 121 Ca -0.23 0.09 -0.29 0.00 -2.02 0.00 0.00 58.31 55.86 1vre n LYS 121 Cb 1.08 -1.68 -0.04 0.00 -0.02 0.00 0.00 35.03 34.37 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 -2.92 1.99 0.00 1.97 1.75 0.52 -4.88 119.30 117.72 1vre s MET 122 Ca -0.06 1.03 0.00 0.00 -1.25 0.00 0.00 55.69 55.41 1vre s MET 122 Cb 0.09 -4.65 0.00 0.00 2.84 0.00 0.00 34.83 33.11 1vre s MET 122 CO 0.83 -3.61 0.00 0.27 -0.65 0.00 0.00 175.02 171.87 1vre n ASN 123 N 16.51 0.61 -0.07 1.11 0.23 -1.26 -4.90 115.26 127.49 1vre n ASN 123 Ca 0.39 -0.25 -0.12 0.00 -0.53 0.00 0.00 54.58 54.07 1vre n ASN 123 Cb 0.51 0.00 -0.05 0.00 -2.08 0.00 0.00 39.78 38.16 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 -0.12 0.29 0.00 -2.53 0.00 -1.99 -1.98 119.26 112.92 1vre h ALA 124 Ca 0.00 -0.24 -0.01 0.00 0.00 0.00 0.00 54.91 54.66 1vre h ALA 124 Cb 0.00 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 17.71 1vre h ALA 124 CO 0.00 0.05 -0.03 0.00 0.00 0.00 0.00 179.25 179.27 1vre h ALA 125 N 0.76 1.11 0.07 0.00 0.00 -1.96 0.23 119.26 119.47 1vre h ALA 125 Ca 0.06 -0.03 -0.10 0.00 0.00 0.00 0.00 54.91 54.84 1vre h ALA 125 Cb 0.47 -0.00 0.01 0.00 0.00 0.00 0.00 17.79 18.27 1vre h ALA 125 CO 0.02 0.03 -0.47 0.00 0.00 0.00 0.00 179.25 178.84 1vre h ALA 126 N 1.97 -0.03 -0.01 0.00 0.00 -1.81 -2.16 119.26 117.22 1vre h ALA 126 Ca -0.00 -0.63 -0.15 0.00 0.00 0.00 0.00 54.91 54.13 1vre h ALA 126 Cb 0.20 0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.05 1vre h ALA 126 CO 0.00 0.22 -0.71 1.57 0.00 0.00 0.00 179.25 180.34 1vre h LYS 127 N -0.67 0.05 0.10 0.00 2.10 -1.05 -2.66 116.57 114.44 1vre h LYS 127 Ca -0.09 -0.05 -0.01 0.00 -2.00 0.00 0.00 60.65 58.51 1vre h LYS 127 Cb 1.34 0.01 0.00 0.00 -0.90 0.00 0.00 32.23 32.68 1vre h LYS 127 CO 0.07 0.74 -0.05 0.22 -2.00 0.00 0.00 179.45 178.43 1vre h ASP 128 N 0.03 -0.12 -0.75 7.07 1.82 -0.65 0.92 116.42 124.75 1vre h ASP 128 Ca -0.01 -0.46 0.09 0.00 -0.39 0.00 0.00 57.03 56.26 1vre h ASP 128 Cb 1.26 0.03 -0.07 0.00 0.68 0.00 0.00 39.33 41.23 1vre h ASP 128 CO 0.10 0.50 0.40 0.00 -1.61 0.00 0.00 179.24 178.62 1vre h ALA 129 N -0.17 1.04 0.00 -0.78 0.00 -1.47 -0.14 119.26 117.75 1vre h ALA 129 Ca -0.01 0.04 -0.12 0.00 0.00 0.00 0.00 54.91 54.82 1vre h ALA 129 Cb 0.57 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.26 1vre h ALA 129 CO 0.02 0.02 -0.58 -1.49 0.00 0.00 0.00 179.25 177.23 1vre h TRP 130 N 0.68 0.00 -0.02 0.00 4.06 -1.53 -1.72 115.95 117.42 1vre h TRP 130 Ca 0.36 0.00 -0.10 0.00 2.06 0.00 0.00 58.89 61.21 1vre h TRP 130 Cb 0.35 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 28.49 1vre h TRP 130 CO -0.09 0.58 -0.46 0.00 -3.56 0.00 0.00 178.44 174.91 1vre h ALA 131 N 1.42 1.21 0.00 1.49 0.00 0.89 0.25 119.26 124.52 1vre h ALA 131 Ca -0.01 -0.42 -0.18 0.00 0.00 0.00 0.00 54.91 54.30 1vre h ALA 131 Cb 1.25 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.93 1vre h ALA 131 CO 0.07 0.58 -1.35 0.00 0.00 0.00 0.00 179.25 178.56 1vre h ALA 132 N 1.51 0.66 0.04 0.00 0.00 -1.03 -3.31 119.26 117.13 1vre h ALA 132 Ca -0.00 -0.89 -0.10 0.00 0.00 0.00 0.00 54.91 53.92 1vre h ALA 132 Cb 0.82 0.26 -0.00 0.00 0.00 0.00 0.00 17.79 18.87 1vre h ALA 132 CO 0.06 0.99 -0.48 0.00 0.00 0.00 0.00 179.25 179.82 1vre h ALA 133 N 1.36 0.04 -0.78 0.00 0.00 -1.10 -3.15 119.26 115.63 1vre h ALA 133 Ca -0.16 -0.70 0.21 0.00 0.00 0.00 0.00 54.91 54.27 1vre h ALA 133 Cb 1.63 0.18 -0.04 0.00 0.00 0.00 0.00 17.79 19.56 1vre h ALA 133 CO 0.06 0.26 0.55 1.88 0.00 0.00 0.00 179.25 181.99 1vre h TYR 134 N -0.82 0.11 -0.12 0.00 -1.99 -0.68 0.93 116.97 114.41 1vre h TYR 134 Ca -0.11 0.00 -0.06 0.00 2.00 0.00 0.00 58.73 60.56 1vre h TYR 134 Cb 1.24 -0.03 -0.00 0.00 2.00 0.00 0.00 36.73 39.94 1vre h TYR 134 CO 0.22 0.03 -0.18 0.00 -0.00 0.00 0.00 178.16 178.24 1vre h ALA 135 N 1.62 0.18 -0.01 3.88 0.00 -1.64 -0.82 119.26 122.48 1vre h ALA 135 Ca 0.38 -0.35 -0.15 0.00 0.00 0.00 0.00 54.91 54.79 1vre h ALA 135 Cb 1.38 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 19.11 1vre h ALA 135 CO -0.04 0.10 -0.70 -0.44 0.00 0.00 0.00 179.25 178.17 1vre h ASP 136 N -0.09 0.05 0.56 0.00 3.32 -0.88 0.23 116.42 119.62 1vre h ASP 136 Ca 0.01 -0.03 -0.03 0.00 0.02 0.00 0.00 57.03 57.00 1vre h ASP 136 Cb 0.74 -0.02 0.01 0.00 0.22 0.00 0.00 39.33 40.28 1vre h ASP 136 CO 0.04 0.74 -0.27 0.40 -1.72 0.00 0.00 179.24 178.43 1vre h ILE 137 N 0.03 0.00 -0.08 0.35 2.04 0.83 0.17 117.51 120.84 1vre h ILE 137 Ca -0.01 -0.37 -0.08 0.00 1.00 0.00 0.00 64.86 65.40 1vre h ILE 137 Cb 1.24 0.00 -0.01 0.00 -0.74 0.00 0.00 36.82 37.31 1vre h ILE 137 CO 0.09 0.00 -0.31 0.28 0.00 0.00 0.00 178.15 178.22 1vre h SER 138 N -1.13 0.15 -0.29 1.72 0.02 -1.22 -2.66 113.55 110.15 1vre h SER 138 Ca -0.08 -0.05 -0.14 0.00 -0.84 0.00 0.00 61.79 60.68 1vre h SER 138 Cb 0.58 -0.04 -0.01 0.00 0.14 0.00 0.00 62.40 63.07 1vre h SER 138 CO 0.13 0.47 -0.34 1.23 -1.14 0.00 0.00 176.83 177.17 1vre h GLY 139 N 1.03 0.89 2.00 -3.77 0.00 -0.54 -2.50 103.07 100.18 1vre h GLY 139 Ca 0.02 -0.86 -0.01 0.00 0.00 0.00 0.00 47.33 46.48 1vre h GLY 139 CO 0.05 0.78 -0.04 0.00 0.00 0.00 0.00 176.54 177.32 1vre h ALA 140 N 0.93 1.31 0.00 3.60 0.00 -0.30 0.17 119.26 124.97 1vre h ALA 140 Ca 0.07 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1vre h ALA 140 Cb 0.90 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.68 1vre h ALA 140 CO 0.08 0.05 0.00 -0.11 0.00 0.00 0.00 179.25 179.27 1vre n LEU 141 N -3.58 0.00 -1.78 0.00 0.00 -0.94 -3.34 117.00 107.36 1vre n LEU 141 Ca -0.02 0.12 -0.15 0.00 0.00 0.00 0.00 56.01 55.95 1vre n LEU 141 Cb 0.14 -0.12 0.10 0.00 0.00 0.00 0.00 43.42 43.55 1vre n LEU 141 CO 0.27 -0.02 1.02 -0.38 0.00 0.00 0.00 177.39 178.27 1vre n ILE 142 N -1.12 2.42 -0.06 1.96 2.08 0.05 -3.69 119.36 121.00 1vre n ILE 142 Ca 0.16 -1.26 -0.08 0.00 0.56 0.00 0.00 62.75 62.13 1vre n ILE 142 Cb 0.13 -0.75 -0.08 0.00 -0.75 0.00 0.00 39.64 38.19 1vre n ILE 142 CO 0.00 0.00 0.00 -1.20 0.56 0.00 0.00 176.55 175.91 1vre n SER 143 N -0.44 2.47 -0.24 4.38 7.64 -1.21 -4.62 113.62 121.60 1vre n SER 143 Ca 0.37 -0.03 0.08 0.00 1.01 0.00 0.00 58.87 60.29 1vre n SER 143 Cb 1.14 0.35 0.13 0.00 -1.01 0.00 0.00 64.21 64.83 1vre n SER 143 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1vre n GLY 144 N 2.51 4.33 1.01 0.23 0.00 -1.26 -4.64 105.19 107.38 1vre n GLY 144 Ca -0.22 -1.03 0.11 0.00 0.00 0.00 0.00 46.02 44.89 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 -1.17 3.15 -3.55 0.99 7.94 -1.24 0.29 117.00 123.40 1vre n LEU 145 Ca 0.14 -1.24 -0.34 0.00 -1.11 0.00 0.00 56.01 53.47 1vre n LEU 145 Cb 0.67 -0.11 -0.03 0.00 0.53 0.00 0.00 43.42 44.47 1vre n LEU 145 CO -0.00 0.61 0.59 0.00 -1.11 0.00 0.00 177.39 177.48 1vre n GLN 146 N 1.36 3.63 -0.34 1.96 3.00 -1.26 -4.58 117.38 121.15 1vre n GLN 146 Ca 0.16 -4.67 0.00 0.00 -0.01 0.00 0.00 57.00 52.48 1vre n GLN 146 Cb 0.58 -2.36 0.00 0.00 0.00 0.00 0.00 30.24 28.46 1vre n GLN 146 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.06 177.49