#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 -1.73 0.00 0.99 4.77 -1.26 -5.02 117.00 114.75 1vre n LEU 2 Ca 0.00 0.06 -0.11 0.00 -0.03 0.00 0.00 56.01 55.92 1vre n LEU 2 Cb 0.00 -1.02 -0.01 0.00 -2.33 0.00 0.00 43.42 40.06 1vre n LEU 2 CO 0.00 -3.38 0.00 -1.54 -1.33 0.00 0.00 177.39 171.14 1vre n SER 3 N -1.12 1.90 0.12 -1.43 3.41 -1.26 -4.93 113.62 110.30 1vre n SER 3 Ca 0.03 -1.82 0.00 0.00 -0.26 0.00 0.00 58.87 56.82 1vre n SER 3 Cb 0.59 0.02 -0.01 0.00 -0.26 0.00 0.00 64.21 64.56 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 0.80 0.60 0.04 7.33 0.00 -1.99 -2.15 119.26 123.90 1vre h ALA 4 Ca -0.15 -0.57 -0.28 0.00 0.00 0.00 0.00 54.91 53.91 1vre h ALA 4 Cb 0.53 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.19 1vre h ALA 4 CO 0.24 0.79 -1.50 0.00 0.00 0.00 0.00 179.25 178.77 1vre h ALA 5 N 1.37 0.50 0.03 0.00 0.00 -2.00 -3.25 119.26 115.91 1vre h ALA 5 Ca -0.01 -1.22 -0.07 0.00 0.00 0.00 0.00 54.91 53.61 1vre h ALA 5 Cb 1.47 0.28 0.01 0.00 0.00 0.00 0.00 17.79 19.56 1vre h ALA 5 CO 0.08 1.36 -0.28 1.96 0.00 0.00 0.00 179.25 182.37 1vre h GLN 6 N 0.02 0.14 -0.82 0.00 4.20 -1.96 -2.81 115.11 113.90 1vre h GLN 6 Ca -0.21 -0.19 0.20 0.00 0.06 0.00 0.00 58.65 58.51 1vre h GLN 6 Cb 1.96 0.06 -0.05 0.00 0.30 0.00 0.00 27.48 29.75 1vre h GLN 6 CO 0.12 1.00 0.56 0.07 -0.67 0.00 0.00 178.83 179.90 1vre h ARG 7 N -0.62 0.22 -0.18 1.46 0.11 -1.55 0.71 114.38 114.54 1vre h ARG 7 Ca -0.04 -0.01 -0.16 0.00 0.10 0.00 0.00 59.98 59.87 1vre h ARG 7 Cb 1.12 -0.05 -0.01 0.00 1.11 0.00 0.00 29.97 32.14 1vre h ARG 7 CO 0.05 0.15 -0.54 0.37 0.10 0.00 0.00 179.97 180.10 1vre h GLN 8 N 0.23 0.54 -0.03 0.08 5.75 -1.58 -1.78 115.11 118.32 1vre h GLN 8 Ca 0.41 -0.34 -0.15 0.00 -0.15 0.00 0.00 58.65 58.42 1vre h GLN 8 Cb 1.24 0.04 -0.01 0.00 1.07 0.00 0.00 27.48 29.81 1vre h GLN 8 CO -0.09 0.94 -0.68 0.28 -2.65 0.00 0.00 178.83 176.63 1vre h VAL 9 N 0.41 1.44 -0.28 2.39 2.07 0.48 -2.23 116.25 120.54 1vre h VAL 9 Ca 0.01 -2.22 -0.15 0.00 0.82 0.00 0.00 66.70 65.15 1vre h VAL 9 Cb 1.08 2.18 -0.01 0.00 -1.52 0.00 0.00 31.29 33.03 1vre h VAL 9 CO 0.10 0.65 -0.44 0.58 0.02 0.00 0.00 177.57 178.48 1vre h VAL 10 N 0.10 1.29 0.00 2.57 2.07 -0.15 -1.78 116.25 120.34 1vre h VAL 10 Ca -0.01 -1.62 0.00 0.00 0.82 0.00 0.00 66.70 65.88 1vre h VAL 10 Cb 1.22 1.54 0.00 0.00 -1.52 0.00 0.00 31.29 32.53 1vre h VAL 10 CO 0.10 0.52 0.00 0.00 0.02 0.00 0.00 177.57 178.21 1vre h ALA 11 N 0.94 1.00 0.00 1.67 0.00 -1.24 -2.77 119.26 118.86 1vre h ALA 11 Ca 0.04 0.00 -0.20 0.00 0.00 0.00 0.00 54.91 54.75 1vre h ALA 11 Cb 0.98 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.74 1vre h ALA 11 CO 0.09 0.00 -1.38 0.77 0.00 0.00 0.00 179.25 178.73 1vre h SER 12 N 0.00 0.00 0.82 0.00 0.02 -1.07 -3.22 113.55 110.09 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 0.74 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.28 1vre h SER 12 CO 0.00 0.72 -0.60 0.35 -1.14 0.00 0.00 176.83 176.16 1vre n THR 13 N -3.00 0.30 0.08 -2.27 -2.24 -0.70 -3.77 114.28 102.69 1vre n THR 13 Ca -0.10 -0.23 0.10 0.00 -2.27 0.00 0.00 64.05 61.55 1vre n THR 13 Cb 0.90 -0.08 -0.03 0.00 -2.10 0.00 0.00 70.33 69.01 1vre n THR 13 CO 0.00 0.00 0.00 1.87 -0.57 0.00 0.00 175.07 176.37 1vre n TRP 14 N -2.02 0.85 1.97 4.78 -0.00 -1.05 -3.37 117.44 118.59 1vre n TRP 14 Ca 0.04 0.25 0.16 0.00 -0.00 0.00 0.00 57.50 57.94 1vre n TRP 14 Cb 0.42 -0.92 0.94 0.00 -0.00 0.00 0.00 31.31 31.75 1vre n TRP 14 CO 0.00 0.00 0.00 1.63 -0.00 0.00 0.00 177.69 179.32 1vre n LYS 15 N -2.65 0.98 -0.02 5.87 5.02 -1.22 -2.56 118.16 123.60 1vre n LYS 15 Ca -0.02 0.00 -0.06 0.00 -2.02 0.00 0.00 58.31 56.22 1vre n LYS 15 Cb 0.58 -1.50 -0.02 0.00 -0.02 0.00 0.00 35.03 34.07 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 -1.00 1.12 0.01 4.39 -0.08 -1.25 -4.18 116.55 115.56 1vre n ASP 16 Ca 0.24 0.17 0.01 0.00 -1.51 0.00 0.00 54.79 53.70 1vre n ASP 16 Cb 0.11 -0.40 0.35 0.00 2.34 0.00 0.00 41.12 43.52 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 -0.33 1.16 -0.86 5.18 2.04 -1.70 -2.34 117.51 120.66 1vre h ILE 17 Ca -0.09 -0.57 -0.55 0.00 1.00 0.00 0.00 64.86 64.65 1vre h ILE 17 Cb 0.65 0.80 -0.29 0.00 -0.74 0.00 0.00 36.82 37.23 1vre h ILE 17 CO -0.05 0.21 0.39 0.00 0.00 0.00 0.00 178.15 178.69 1vre n ALA 18 N -2.48 5.68 -1.00 1.87 0.00 -1.06 -3.19 120.51 120.34 1vre n ALA 18 Ca 0.02 -3.38 0.00 0.00 0.00 0.00 0.00 53.44 50.08 1vre n ALA 18 Cb 0.18 -1.30 0.00 0.00 0.00 0.00 0.00 19.45 18.33 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 -0.96 -1.91 0.66 0.00 0.00 -0.88 -3.58 105.19 98.52 1vre n GLY 19 Ca 0.55 0.05 0.07 0.00 0.00 0.00 0.00 46.02 46.69 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 -0.12 3.23 0.00 1.61 3.41 -1.26 -4.46 113.62 116.02 1vre n SER 20 Ca 0.00 -2.52 0.00 0.00 -0.26 0.00 0.00 58.87 56.09 1vre n SER 20 Cb 0.00 -0.36 0.00 0.00 -0.26 0.00 0.00 64.21 63.59 1vre n SER 20 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 1vre n ASP 21 N -0.15 0.08 -1.52 4.04 5.75 -1.26 -4.98 116.55 118.51 1vre n ASP 21 Ca 0.15 -0.50 -0.17 0.00 -0.01 0.00 0.00 54.79 54.26 1vre n ASP 21 Cb 0.63 0.82 -0.07 0.00 -1.03 0.00 0.00 41.12 41.47 1vre n ASP 21 CO 0.00 0.00 0.00 -3.20 -0.11 0.00 0.00 177.20 173.89 1vre n ASN 22 N -0.82 -4.55 -0.22 -1.12 5.15 -1.24 -0.56 115.26 111.92 1vre n ASN 22 Ca 0.00 0.42 0.00 0.00 -0.60 0.00 0.00 54.58 54.40 1vre n ASN 22 Cb 0.00 -4.10 0.00 0.00 -0.53 0.00 0.00 39.78 35.16 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 -0.33 0.63 0.26 8.20 0.00 -1.19 -4.20 105.19 108.56 1vre n GLY 23 Ca -0.17 -0.80 -0.01 0.00 0.00 0.00 0.00 46.02 45.04 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 0.91 0.00 4.61 0.00 -1.09 -0.18 119.26 123.51 1vre h ALA 24 Ca 0.00 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1vre h ALA 24 Cb 1.00 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.68 1vre h ALA 24 CO 0.00 0.04 0.00 0.78 0.00 0.00 0.00 179.25 180.07 1vre h GLY 25 N 0.68 0.00 1.84 0.00 0.00 -1.92 -3.19 103.07 100.47 1vre h GLY 25 Ca 0.31 0.00 -0.10 0.00 0.00 0.00 0.00 47.33 47.54 1vre h GLY 25 CO -0.20 0.00 -0.41 -2.08 0.00 0.00 0.00 176.54 173.85 1vre h VAL 26 N 0.00 1.31 0.04 4.60 2.07 -1.40 -2.43 116.25 120.44 1vre h VAL 26 Ca 0.00 -1.49 -0.00 0.00 0.82 0.00 0.00 66.70 66.03 1vre h VAL 26 Cb 0.91 1.70 0.00 0.00 -1.52 0.00 0.00 31.29 32.38 1vre h VAL 26 CO 0.00 0.44 -0.02 1.23 0.02 0.00 0.00 177.57 179.24 1vre h GLY 27 N 1.23 -0.05 1.29 2.17 0.00 -1.43 -0.46 103.07 105.82 1vre h GLY 27 Ca 0.01 0.02 0.07 0.00 0.00 0.00 0.00 47.33 47.43 1vre h GLY 27 CO 0.06 -0.02 0.29 0.07 0.00 0.00 0.00 176.54 176.94 1vre h LYS 28 N -0.96 0.00 0.00 4.80 2.10 -1.60 0.18 116.57 121.09 1vre h LYS 28 Ca -0.01 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.64 1vre h LYS 28 Cb 0.56 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.89 1vre h LYS 28 CO 0.01 0.00 -1.47 -0.85 -2.00 0.00 0.00 179.45 175.14 1vre n GLU 29 N -3.62 0.40 -0.07 0.07 0.28 -0.92 -3.80 120.64 112.97 1vre n GLU 29 Ca 0.03 -0.09 -0.05 0.00 -0.16 0.00 0.00 57.16 56.89 1vre n GLU 29 Cb 0.42 -1.55 -0.02 0.00 1.43 0.00 0.00 31.44 31.73 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 -0.98 0.25 -0.48 0.00 0.04 -1.24 -2.06 116.94 112.47 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 0.53 -0.09 -0.02 0.00 2.20 0.00 0.00 35.95 38.57 1vre h PHE 31 CO -0.23 0.16 0.30 1.15 -0.60 0.00 0.00 178.31 179.09 1vre h THR 32 N 0.27 1.14 0.00 -1.55 2.02 -1.70 0.29 112.91 113.38 1vre h THR 32 Ca 0.08 -0.31 -0.05 0.00 0.77 0.00 0.00 66.41 66.91 1vre h THR 32 Cb -0.00 0.48 -0.01 0.00 -1.74 0.00 0.00 68.15 66.89 1vre h THR 32 CO -0.02 0.14 -0.22 0.11 0.37 0.00 0.00 175.52 175.91 1vre h LYS 33 N 0.64 0.00 0.01 6.66 1.57 -1.48 -2.34 116.57 121.63 1vre h LYS 33 Ca 0.17 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.94 1vre h LYS 33 Cb -0.03 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.29 1vre h LYS 33 CO -0.03 0.22 -0.05 0.35 -0.57 0.00 0.00 179.45 179.36 1vre h PHE 34 N 0.00 0.04 -0.62 -1.35 3.57 -1.00 -2.83 116.94 114.75 1vre h PHE 34 Ca -0.00 -0.03 0.12 0.00 3.53 0.00 0.00 57.97 61.59 1vre h PHE 34 Cb 0.40 -0.00 -0.09 0.00 2.79 0.00 0.00 35.95 39.05 1vre h PHE 34 CO 0.00 0.94 0.15 -0.07 -2.23 0.00 0.00 178.31 177.10 1vre h LEU 35 N -0.87 0.05 0.92 0.59 3.38 -0.33 1.47 115.31 120.52 1vre h LEU 35 Ca -0.01 0.11 -0.05 0.00 0.09 0.00 0.00 57.88 58.03 1vre h LEU 35 Cb 0.96 0.14 0.01 0.00 0.09 0.00 0.00 40.66 41.86 1vre h LEU 35 CO 0.01 0.03 -0.44 -1.28 0.09 0.00 0.00 178.44 176.84 1vre h SER 36 N 0.29 -1.05 0.20 -0.43 0.87 -1.52 -2.54 113.55 109.37 1vre h SER 36 Ca 0.33 0.04 -0.01 0.00 -1.23 0.00 0.00 61.79 60.92 1vre h SER 36 Cb 0.49 0.27 -0.00 0.00 -0.44 0.00 0.00 62.40 62.72 1vre h SER 36 CO -0.40 -0.71 -0.04 0.00 -0.53 0.00 0.00 176.83 175.16 1vre h ALA 37 N -1.33 1.24 -3.62 6.23 0.00 -1.20 -3.35 119.26 117.25 1vre h ALA 37 Ca -0.13 -0.03 -0.65 0.00 0.00 0.00 0.00 54.91 54.10 1vre h ALA 37 Cb 0.95 -0.01 -0.40 0.00 0.00 0.00 0.00 17.79 18.33 1vre h ALA 37 CO 0.21 0.04 -0.72 -1.01 0.00 0.00 0.00 179.25 177.77 1vre s HIS 38 N -4.27 3.53 -0.34 0.00 3.76 0.50 -4.93 115.29 113.53 1vre s HIS 38 Ca -0.04 -2.89 0.23 0.00 -0.15 0.00 0.00 55.06 52.21 1vre s HIS 38 Cb 0.13 -2.80 0.17 0.00 1.11 0.00 0.00 32.58 31.20 1vre s HIS 38 CO 0.52 -0.93 1.32 0.45 -0.85 0.00 0.00 174.74 175.24 1vre h HIS 39 N 7.59 0.00 0.00 1.40 -0.00 -1.69 -2.90 115.15 119.54 1vre h HIS 39 Ca -0.05 0.00 -0.01 0.00 -0.00 0.00 0.00 60.37 60.31 1vre h HIS 39 Cb 1.01 0.00 -0.00 0.00 -0.00 0.00 0.00 27.41 28.42 1vre h HIS 39 CO 0.45 0.00 -0.02 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 -1.91 -2.99 116.42 116.00 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 0.99 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.49 1vre h ASP 40 CO 0.00 0.02 -1.24 0.23 -1.03 0.00 0.00 179.24 177.22 1vre n MET 41 N -3.14 1.23 -0.33 4.15 2.81 -1.23 -4.41 117.12 116.21 1vre n MET 41 Ca 0.00 -0.08 0.12 0.00 -1.81 0.00 0.00 57.70 55.94 1vre n MET 41 Cb 0.29 -1.22 0.31 0.00 -0.71 0.00 0.00 33.22 31.90 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 1.29 1.57 0.01 3.04 0.00 -1.35 0.32 119.26 124.13 1vre h ALA 42 Ca 0.00 0.10 -0.19 0.00 0.00 0.00 0.00 54.91 54.82 1vre h ALA 42 Cb 0.47 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 1vre h ALA 42 CO 0.00 -0.14 -0.88 0.00 0.00 0.00 0.00 179.25 178.23 1vre h ALA 43 N 1.65 0.52 0.63 0.00 0.00 -1.70 -0.49 119.26 119.88 1vre h ALA 43 Ca 0.56 -0.74 -0.03 0.00 0.00 0.00 0.00 54.91 54.70 1vre h ALA 43 Cb 0.92 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.63 1vre h ALA 43 CO -0.42 0.96 -0.34 0.28 0.00 0.00 0.00 179.25 179.73 1vre h VAL 44 N 0.08 0.30 -0.63 0.00 2.07 -0.64 -1.79 116.25 115.64 1vre h VAL 44 Ca -0.04 0.00 0.16 0.00 0.82 0.00 0.00 66.70 67.65 1vre h VAL 44 Cb 1.52 0.30 -0.03 0.00 -1.52 0.00 0.00 31.29 31.56 1vre h VAL 44 CO 0.13 0.00 0.44 -0.26 0.02 0.00 0.00 177.57 177.90 1vre h PHE 45 N -0.90 0.12 0.00 1.57 0.04 -1.25 -3.42 116.94 113.09 1vre h PHE 45 Ca -0.08 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.69 1vre h PHE 45 Cb 0.71 -0.04 0.00 0.00 2.20 0.00 0.00 35.95 38.82 1vre h PHE 45 CO -0.06 0.04 0.00 0.41 -0.60 0.00 0.00 178.31 178.10 1vre n GLY 46 N -1.62 1.99 3.51 -1.45 0.00 -0.67 -5.05 105.19 101.89 1vre n GLY 46 Ca 0.12 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.90 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 2.19 -0.36 1.61 0.08 -0.20 -4.96 117.98 114.33 1vre s PHE 47 Ca 0.00 -0.72 0.15 0.00 0.12 0.00 0.00 56.93 56.48 1vre s PHE 47 Cb 0.00 -1.39 0.52 0.00 -0.57 0.00 0.00 43.02 41.59 1vre s PHE 47 CO 0.00 0.31 1.43 0.45 -0.10 0.00 0.00 175.22 177.31 1vre n SER 48 N -0.75 3.91 0.00 1.36 2.88 -1.26 -3.55 113.62 116.21 1vre n SER 48 Ca -0.04 -2.80 0.00 0.00 -1.33 0.00 0.00 58.87 54.69 1vre n SER 48 Cb 0.65 -0.50 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 -0.16 0.09 1.78 0.46 0.00 -1.26 -4.89 105.19 101.22 1vre n GLY 49 Ca 0.20 -1.54 -0.14 0.00 0.00 0.00 0.00 46.02 44.55 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 -0.51 4.45 -1.81 4.61 0.00 -1.26 -4.05 120.51 121.94 1vre n ALA 50 Ca 0.00 -1.87 0.06 0.00 0.00 0.00 0.00 53.44 51.62 1vre n ALA 50 Cb 0.00 -1.28 0.13 0.00 0.00 0.00 0.00 19.45 18.31 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 -0.48 1.48 -4.45 0.00 3.41 -1.26 -5.01 113.62 107.31 1vre n SER 51 Ca 0.38 -3.15 -0.33 0.00 -0.26 0.00 0.00 58.87 55.51 1vre n SER 51 Cb 1.25 -0.43 -0.13 0.00 -0.26 0.00 0.00 64.21 64.63 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 -2.70 4.03 0.52 4.04 1.11 -1.26 -4.99 116.67 117.42 1vre s ASP 52 Ca 0.34 -0.23 0.27 0.00 0.18 0.00 0.00 52.55 53.11 1vre s ASP 52 Cb 0.34 -1.05 1.40 0.00 1.07 0.00 0.00 42.92 44.69 1vre s ASP 52 CO -0.08 0.30 2.05 1.55 1.18 0.00 0.00 175.17 180.17 1vre h PRO 53 N 5.69 0.00 -0.92 8.23 0.13 -1.96 -2.63 132.00 140.53 1vre h PRO 53 Ca -0.41 0.00 0.19 0.00 -0.87 0.00 0.00 66.00 64.91 1vre h PRO 53 Cb 1.17 0.00 -0.08 0.00 0.13 0.00 0.00 31.00 32.22 1vre h PRO 53 CO 0.52 0.13 0.60 0.78 -0.23 0.00 0.00 178.00 179.79 1vre h GLY 54 N 1.01 1.11 0.11 1.56 0.00 -1.94 0.15 103.07 105.06 1vre h GLY 54 Ca -0.00 -0.24 0.20 0.00 0.00 0.00 0.00 47.33 47.28 1vre h GLY 54 CO 0.02 0.00 0.61 -2.08 0.00 0.00 0.00 176.54 175.09 1vre h VAL 55 N 0.53 0.69 0.00 4.60 2.07 -1.85 1.34 116.25 123.63 1vre h VAL 55 Ca 0.49 -0.26 0.00 0.00 0.82 0.00 0.00 66.70 67.75 1vre h VAL 55 Cb 1.04 -0.12 0.00 0.00 -1.52 0.00 0.00 31.29 30.69 1vre h VAL 55 CO -0.22 0.14 0.00 0.00 0.02 0.00 0.00 177.57 177.50 1vre n ALA 56 N -2.33 2.44 -0.05 1.67 0.00 0.51 -2.95 120.51 119.80 1vre n ALA 56 Ca 0.24 -0.16 -0.04 0.00 0.00 0.00 0.00 53.44 53.48 1vre n ALA 56 Cb 0.59 -1.42 -0.14 0.00 0.00 0.00 0.00 19.45 18.47 1vre n ALA 56 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1vre n ASP 57 N -1.06 0.31 -0.05 0.00 -0.08 0.46 -3.61 116.55 112.52 1vre n ASP 57 Ca 0.18 0.14 -0.02 0.00 -1.51 0.00 0.00 54.79 53.58 1vre n ASP 57 Cb 0.11 0.83 -0.01 0.00 2.34 0.00 0.00 41.12 44.40 1vre n ASP 57 CO 0.00 0.00 0.00 -0.07 0.12 0.00 0.00 177.20 177.25 1vre h LEU 58 N 0.00 0.00 -2.34 -2.67 3.38 -1.34 -3.31 115.31 109.03 1vre h LEU 58 Ca -0.34 0.00 0.03 0.00 0.09 0.00 0.00 57.88 57.66 1vre h LEU 58 Cb 1.87 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.61 1vre h LEU 58 CO 0.04 0.52 0.14 1.23 0.09 0.00 0.00 178.44 180.45 1vre h GLY 59 N -0.77 0.00 1.85 0.83 0.00 -1.79 0.52 103.07 103.71 1vre h GLY 59 Ca 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 47.33 47.26 1vre h GLY 59 CO 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 176.54 176.26 1vre h ALA 60 N 1.82 1.36 0.00 3.60 0.00 -1.70 -2.74 119.26 121.60 1vre h ALA 60 Ca 0.05 -0.30 -0.35 0.00 0.00 0.00 0.00 54.91 54.31 1vre h ALA 60 Cb 0.34 -0.08 -0.06 0.00 0.00 0.00 0.00 17.79 17.99 1vre h ALA 60 CO -0.00 0.45 -2.34 1.63 0.00 0.00 0.00 179.25 178.99 1vre n LYS 61 N -4.15 0.61 -0.03 0.00 5.02 0.15 -4.43 118.16 115.33 1vre n LYS 61 Ca -0.01 0.13 -0.09 0.00 -2.02 0.00 0.00 58.31 56.32 1vre n LYS 61 Cb 0.37 -1.47 -0.03 0.00 -0.02 0.00 0.00 35.03 33.88 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 0.36 -0.87 -0.18 2.07 -0.14 -1.20 116.25 116.30 1vre h VAL 62 Ca -0.53 0.00 0.23 0.00 0.82 0.00 0.00 66.70 67.22 1vre h VAL 62 Cb 1.83 0.36 -0.14 0.00 -1.52 0.00 0.00 31.29 31.83 1vre h VAL 62 CO -0.08 0.00 0.24 -0.07 0.02 0.00 0.00 177.57 177.68 1vre h LEU 63 N -0.30 0.02 -2.00 2.57 4.07 -1.71 0.80 115.31 118.77 1vre h LEU 63 Ca 0.12 0.19 0.20 0.00 0.08 0.00 0.00 57.88 58.47 1vre h LEU 63 Cb 0.48 0.25 -0.03 0.00 1.08 0.00 0.00 40.66 42.45 1vre h LEU 63 CO -0.36 -0.14 0.50 0.00 -1.08 0.00 0.00 178.44 177.36 1vre h ALA 64 N 1.76 2.66 -0.08 1.53 0.00 -1.38 0.60 119.26 124.36 1vre h ALA 64 Ca 0.54 -0.02 -0.11 0.00 0.00 0.00 0.00 54.91 55.32 1vre h ALA 64 Cb 1.08 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.91 1vre h ALA 64 CO -0.64 -0.86 -0.45 0.37 0.00 0.00 0.00 179.25 177.67 1vre h GLN 65 N 0.00 0.19 -0.03 0.00 5.75 0.66 -1.79 115.11 119.89 1vre h GLN 65 Ca 0.33 -0.10 -0.15 0.00 -0.15 0.00 0.00 58.65 58.59 1vre h GLN 65 Cb 1.34 0.00 -0.02 0.00 1.07 0.00 0.00 27.48 29.87 1vre h GLN 65 CO -0.00 0.61 -0.66 0.82 -2.65 0.00 0.00 178.83 176.94 1vre h ILE 66 N 0.16 1.44 -0.06 2.39 2.04 0.25 -2.12 117.51 121.60 1vre h ILE 66 Ca 0.01 -2.18 -0.03 0.00 1.00 0.00 0.00 64.86 63.67 1vre h ILE 66 Cb 0.86 2.15 -0.00 0.00 -0.74 0.00 0.00 36.82 39.10 1vre h ILE 66 CO 0.07 0.63 -0.07 1.23 0.00 0.00 0.00 178.15 180.01 1vre h GLY 67 N 1.74 0.17 2.00 5.37 0.00 -0.92 0.11 103.07 111.54 1vre h GLY 67 Ca -0.01 -0.18 -0.02 0.00 0.00 0.00 0.00 47.33 47.13 1vre h GLY 67 CO 0.09 0.16 -0.08 -2.08 0.00 0.00 0.00 176.54 174.64 1vre h VAL 68 N -0.30 0.47 0.00 4.60 2.07 -1.33 -1.54 116.25 120.22 1vre h VAL 68 Ca 0.01 -0.37 -0.17 0.00 0.82 0.00 0.00 66.70 66.99 1vre h VAL 68 Cb 0.59 1.25 -0.03 0.00 -1.52 0.00 0.00 31.29 31.58 1vre h VAL 68 CO 0.02 0.07 -1.13 0.00 0.02 0.00 0.00 177.57 176.55 1vre h ALA 69 N 1.92 0.64 0.00 1.67 0.00 -1.11 -3.26 119.26 119.12 1vre h ALA 69 Ca -0.00 -0.80 0.00 0.00 0.00 0.00 0.00 54.91 54.11 1vre h ALA 69 Cb 0.24 0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.18 1vre h ALA 69 CO 0.01 0.94 0.00 0.28 0.00 0.00 0.00 179.25 180.48 1vre n VAL 70 N -3.05 0.96 0.45 0.00 0.31 0.37 -1.75 118.33 115.62 1vre n VAL 70 Ca -0.06 0.34 0.13 0.00 -0.01 0.00 0.00 64.34 64.74 1vre n VAL 70 Cb 0.84 -1.26 0.28 0.00 -0.91 0.00 0.00 33.84 32.79 1vre n VAL 70 CO 0.00 0.00 0.00 0.28 -1.32 0.00 0.00 176.83 175.79 1vre h SER 71 N 0.00 0.00 -2.12 4.52 0.02 -1.59 -3.36 113.55 111.01 1vre h SER 71 Ca 0.00 -0.02 -0.57 0.00 -0.84 0.00 0.00 61.79 60.36 1vre h SER 71 Cb 0.26 0.00 -0.41 0.00 0.14 0.00 0.00 62.40 62.39 1vre h SER 71 CO 0.00 0.01 -0.84 1.41 -1.14 0.00 0.00 176.83 176.27 1vre n HIS 72 N -2.57 2.04 -0.07 3.45 8.25 -0.72 -4.83 115.22 120.77 1vre n HIS 72 Ca 0.05 -3.90 -0.03 0.00 -0.26 0.00 0.00 57.72 53.57 1vre n HIS 72 Cb 0.47 -0.47 -0.15 0.00 1.12 0.00 0.00 29.99 30.97 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 0.76 0.00 0.11 2.41 4.77 -1.25 -4.31 117.00 119.48 1vre n LEU 73 Ca 0.27 0.00 -0.02 0.00 -0.03 0.00 0.00 56.01 56.23 1vre n LEU 73 Cb 0.48 0.32 -0.03 0.00 -2.33 0.00 0.00 43.42 41.86 1vre n LEU 73 CO 0.30 0.32 0.34 1.23 -1.33 0.00 0.00 177.39 178.25 1vre h GLY 74 N 3.73 0.00 -4.30 -0.72 0.00 -1.90 -3.44 103.07 96.43 1vre h GLY 74 Ca -0.35 0.00 -0.66 0.00 0.00 0.00 0.00 47.33 46.32 1vre h GLY 74 CO 0.02 0.00 -0.71 -0.35 0.00 0.00 0.00 176.54 175.50 1vre s ASP 75 N -6.57 4.66 -0.45 0.19 -1.08 -1.26 -5.05 116.67 107.11 1vre s ASP 75 Ca 0.03 -0.31 0.09 0.00 -0.52 0.00 0.00 52.55 51.84 1vre s ASP 75 Cb 0.09 -0.98 0.38 0.00 -1.46 0.00 0.00 42.92 40.95 1vre s ASP 75 CO 0.78 0.17 0.94 -1.84 0.52 0.00 0.00 175.17 175.74 1vre n GLU 76 N 0.59 2.37 -0.18 4.34 0.28 -1.26 -4.67 120.64 122.10 1vre n GLU 76 Ca -0.12 -4.13 0.03 0.00 -0.16 0.00 0.00 57.16 52.78 1vre n GLU 76 Cb 0.52 -1.93 0.04 0.00 1.43 0.00 0.00 31.44 31.50 1vre n GLU 76 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1vre n GLY 77 N -0.15 1.35 0.43 -1.84 0.00 -1.26 -4.89 105.19 98.84 1vre n GLY 77 Ca 0.28 -0.31 0.00 0.00 0.00 0.00 0.00 46.02 45.99 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 -0.48 0.00 -0.33 1.61 4.81 -1.26 -4.88 118.16 117.64 1vre n LYS 78 Ca 0.04 0.00 0.15 0.00 -0.87 0.00 0.00 58.31 57.63 1vre n LYS 78 Cb 0.56 0.00 0.34 0.00 0.02 0.00 0.00 35.03 35.95 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 0.50 0.00 1.64 4.05 -1.83 1.26 114.93 120.55 1vre h MET 79 Ca 0.00 -0.03 -0.01 0.00 -0.28 0.00 0.00 59.70 59.38 1vre h MET 79 Cb 0.00 -0.11 -0.00 0.00 -0.80 0.00 0.00 31.60 30.69 1vre h MET 79 CO 0.00 0.33 -0.03 0.28 0.23 0.00 0.00 176.91 177.72 1vre h VAL 80 N 0.52 0.06 0.45 -5.77 2.07 -1.90 -3.07 116.25 108.60 1vre h VAL 80 Ca 0.60 -0.73 -0.01 0.00 0.82 0.00 0.00 66.70 67.38 1vre h VAL 80 Cb 1.11 1.68 -0.01 0.00 -1.52 0.00 0.00 31.29 32.54 1vre h VAL 80 CO -0.49 0.03 -0.35 0.00 0.02 0.00 0.00 177.57 176.79 1vre h ALA 81 N 1.97 -0.81 0.26 1.67 0.00 0.13 1.15 119.26 123.63 1vre h ALA 81 Ca -0.00 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.75 1vre h ALA 81 Cb 0.68 0.46 0.00 0.00 0.00 0.00 0.00 17.79 18.93 1vre h ALA 81 CO 0.00 -0.98 -0.12 1.49 0.00 0.00 0.00 179.25 179.64 1vre h GLU 82 N -0.79 -0.33 0.13 0.00 4.57 -1.56 -1.15 114.58 115.45 1vre h GLU 82 Ca -0.04 0.02 0.02 0.00 -1.18 0.00 0.00 59.36 58.18 1vre h GLU 82 Cb 0.67 0.08 -0.04 0.00 -0.16 0.00 0.00 28.75 29.29 1vre h GLU 82 CO 0.00 -0.08 -0.39 0.52 -1.18 0.00 0.00 179.01 177.88 1vre h MET 83 N -0.56 -0.61 -0.75 1.92 2.86 -1.44 0.29 114.93 116.65 1vre h MET 83 Ca -0.04 0.04 0.22 0.00 -2.06 0.00 0.00 59.70 57.86 1vre h MET 83 Cb 0.41 0.14 -0.03 0.00 0.06 0.00 0.00 31.60 32.18 1vre h MET 83 CO 0.06 -0.41 0.57 -0.22 1.06 0.00 0.00 176.91 177.97 1vre h LYS 84 N -0.64 0.00 -0.16 1.72 3.64 0.14 0.25 116.57 121.53 1vre h LYS 84 Ca 0.02 0.00 -0.15 0.00 -1.27 0.00 0.00 60.65 59.25 1vre h LYS 84 Cb 0.66 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.48 1vre h LYS 84 CO -0.22 0.00 -0.48 0.00 -2.27 0.00 0.00 179.45 176.48 1vre h ALA 85 N 1.56 0.27 -0.50 5.00 0.00 0.79 -3.04 119.26 123.34 1vre h ALA 85 Ca 0.35 -0.49 -0.03 0.00 0.00 0.00 0.00 54.91 54.75 1vre h ALA 85 Cb 1.49 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 19.23 1vre h ALA 85 CO -0.00 0.44 0.20 0.28 0.00 0.00 0.00 179.25 180.16 1vre h VAL 86 N 0.27 1.19 -0.64 0.00 2.07 0.16 -2.03 116.25 117.27 1vre h VAL 86 Ca -0.01 -0.58 0.05 0.00 0.82 0.00 0.00 66.70 66.97 1vre h VAL 86 Cb 1.10 0.59 -0.05 0.00 -1.52 0.00 0.00 31.29 31.42 1vre h VAL 86 CO 0.10 0.23 0.37 1.23 0.02 0.00 0.00 177.57 179.52 1vre h GLY 87 N 0.85 0.93 0.73 2.17 0.00 -1.16 0.52 103.07 107.10 1vre h GLY 87 Ca 0.17 -0.26 0.13 0.00 0.00 0.00 0.00 47.33 47.37 1vre h GLY 87 CO -0.02 0.18 0.51 -2.08 0.00 0.00 0.00 176.54 175.14 1vre h VAL 88 N 0.69 0.85 -0.03 4.60 2.07 -1.26 0.28 116.25 123.46 1vre h VAL 88 Ca 0.28 -0.19 -0.12 0.00 0.82 0.00 0.00 66.70 67.49 1vre h VAL 88 Cb 0.12 0.25 -0.01 0.00 -1.52 0.00 0.00 31.29 30.12 1vre h VAL 88 CO -0.15 0.10 -0.53 0.03 0.02 0.00 0.00 177.57 177.04 1vre h ARG 89 N 0.56 0.07 -0.00 1.57 -0.00 -0.83 -2.31 114.38 113.45 1vre h ARG 89 Ca 0.38 -0.04 0.00 0.00 -0.50 0.00 0.00 59.98 59.81 1vre h ARG 89 Cb 0.68 0.00 0.00 0.00 0.00 0.00 0.00 29.97 30.65 1vre h ARG 89 CO -0.14 0.59 0.00 0.72 0.00 0.00 0.00 179.97 181.14 1vre n HIS 90 N -3.91 0.00 -0.58 3.04 8.25 0.96 -3.19 115.22 119.78 1vre n HIS 90 Ca -0.02 -0.00 0.10 0.00 -0.26 0.00 0.00 57.72 57.54 1vre n HIS 90 Cb 0.55 0.00 0.35 0.00 1.12 0.00 0.00 29.99 32.00 1vre n HIS 90 CO 0.00 0.00 0.00 1.17 0.64 0.00 0.00 176.34 178.15 1vre n LYS 91 N -0.85 3.55 -0.97 -0.41 4.81 -0.87 -4.46 118.16 118.96 1vre n LYS 91 Ca 0.17 -2.84 -0.03 0.00 -0.87 0.00 0.00 58.31 54.74 1vre n LYS 91 Cb 0.08 -1.83 -0.02 0.00 0.02 0.00 0.00 35.03 33.28 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 1.15 0.12 0.00 3.14 0.00 -1.19 -4.92 105.19 103.48 1vre n GLY 92 Ca 0.25 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.26 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 -0.12 -1.48 0.14 1.61 4.01 -1.22 -4.83 117.16 115.26 1vre n TYR 93 Ca -0.14 0.00 -0.14 0.00 -0.16 0.00 0.00 57.90 57.46 1vre n TYR 93 Cb 0.52 0.00 -0.08 0.00 -0.31 0.00 0.00 39.34 39.47 1vre n TYR 93 CO 0.00 0.00 0.00 0.78 -0.46 0.00 0.00 176.86 177.18 1vre h GLY 94 N -0.11 -0.36 1.67 2.72 0.00 -1.93 -3.07 103.07 101.99 1vre h GLY 94 Ca 0.00 0.13 -0.09 0.00 0.00 0.00 0.00 47.33 47.37 1vre h GLY 94 CO 0.00 -0.13 -0.28 3.45 0.00 0.00 0.00 176.54 179.58 1vre h ASN 95 N -0.61 0.38 -1.50 0.19 -1.07 -1.92 -3.45 115.58 107.60 1vre h ASN 95 Ca -0.04 -0.13 -0.33 0.00 0.07 0.00 0.00 56.30 55.88 1vre h ASN 95 Cb 0.44 -0.10 -0.12 0.00 -2.07 0.00 0.00 38.32 36.47 1vre h ASN 95 CO 0.06 0.66 -0.31 0.29 0.07 0.00 0.00 177.43 178.20 1vre n LYS 96 N -4.11 -1.43 -2.53 4.14 5.02 -1.16 -4.81 118.16 113.28 1vre n LYS 96 Ca -0.01 0.93 -0.19 0.00 -2.02 0.00 0.00 58.31 57.02 1vre n LYS 96 Cb 0.41 -5.26 0.02 0.00 -0.02 0.00 0.00 35.03 30.17 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 -2.25 2.43 -2.60 2.13 8.25 -1.26 -4.92 115.22 117.01 1vre n HIS 97 Ca -0.16 -2.88 -0.28 0.00 -0.26 0.00 0.00 57.72 54.14 1vre n HIS 97 Cb 0.54 -0.22 -0.01 0.00 1.12 0.00 0.00 29.99 31.43 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 -4.50 4.87 -0.01 1.59 1.01 -1.24 -5.04 121.20 117.87 1vre s ILE 98 Ca 0.40 0.35 -0.02 0.00 0.00 0.00 0.00 60.65 61.37 1vre s ILE 98 Cb 0.42 -3.84 -0.00 0.00 0.01 0.00 0.00 42.46 39.05 1vre s ILE 98 CO -0.08 -0.82 0.05 -0.54 0.00 0.00 0.00 174.94 173.55 1vre s LYS 99 N -4.62 0.18 0.00 2.79 3.01 -1.26 -4.54 119.74 115.29 1vre s LYS 99 Ca 0.49 -0.13 0.12 0.00 -1.01 0.00 0.00 55.97 55.44 1vre s LYS 99 Cb -0.10 0.07 0.58 0.00 -1.01 0.00 0.00 37.83 37.37 1vre s LYS 99 CO 0.43 -0.03 1.39 0.00 0.51 0.00 0.00 175.35 177.65 1vre n ALA 100 N 2.52 2.53 0.08 5.17 0.00 -1.26 -3.27 120.51 126.27 1vre n ALA 100 Ca -0.16 -0.23 0.09 0.00 0.00 0.00 0.00 53.44 53.14 1vre n ALA 100 Cb 0.58 -1.12 -0.03 0.00 0.00 0.00 0.00 19.45 18.88 1vre n ALA 100 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 1vre n GLU 101 N -0.30 0.61 0.05 0.00 2.13 -1.26 -3.82 120.64 118.06 1vre n GLU 101 Ca 0.10 0.10 0.13 0.00 0.66 0.00 0.00 57.16 58.15 1vre n GLU 101 Cb 0.13 -1.79 0.32 0.00 0.27 0.00 0.00 31.44 30.37 1vre n GLU 101 CO 0.00 0.00 0.00 0.66 -0.41 0.00 0.00 177.13 177.38 1vre n TYR 102 N -2.67 0.46 0.45 4.31 4.02 -1.20 -4.15 117.16 118.37 1vre n TYR 102 Ca -0.03 0.13 -0.17 0.00 -0.01 0.00 0.00 57.90 57.82 1vre n TYR 102 Cb 0.61 -0.63 -0.08 0.00 -0.02 0.00 0.00 39.34 39.22 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 -1.06 -0.19 -0.72 -1.00 -1.73 0.92 116.94 113.16 1vre h PHE 103 Ca 0.00 -0.02 0.05 0.00 2.81 0.00 0.00 57.97 60.80 1vre h PHE 103 Cb 0.66 0.35 -0.07 0.00 3.61 0.00 0.00 35.95 40.50 1vre h PHE 103 CO 0.00 -0.66 -0.42 0.93 -1.61 0.00 0.00 178.31 176.55 1vre h GLU 104 N -1.19 -0.43 0.08 1.51 5.08 -1.79 1.31 114.58 119.15 1vre h GLU 104 Ca -0.12 0.03 0.01 0.00 -1.00 0.00 0.00 59.36 58.28 1vre h GLU 104 Cb 0.87 0.10 -0.04 0.00 0.50 0.00 0.00 28.75 30.18 1vre h GLU 104 CO 0.19 -0.29 -0.43 -1.35 -1.00 0.00 0.00 179.01 176.14 1vre h PRO 105 N -0.45 -0.58 -0.12 2.33 0.11 -1.71 0.42 132.00 132.01 1vre h PRO 105 Ca 0.09 0.04 0.03 0.00 0.11 0.00 0.00 66.00 66.27 1vre h PRO 105 Cb 0.61 0.13 -0.00 0.00 0.11 0.00 0.00 31.00 31.85 1vre h PRO 105 CO -0.44 -0.39 0.13 1.25 -0.21 0.00 0.00 178.00 178.35 1vre h LEU 106 N -0.60 0.00 -0.21 2.35 7.12 -0.35 -0.64 115.31 122.98 1vre h LEU 106 Ca -0.00 0.00 -0.21 0.00 0.13 0.00 0.00 57.88 57.79 1vre h LEU 106 Cb 0.61 0.00 0.01 0.00 -0.53 0.00 0.00 40.66 40.75 1vre h LEU 106 CO -0.24 0.00 -0.73 1.23 -0.13 0.00 0.00 178.44 178.57 1vre h GLY 107 N 0.00 0.87 0.83 3.75 0.00 0.45 -2.94 103.07 106.03 1vre h GLY 107 Ca 0.06 -1.17 -0.00 0.00 0.00 0.00 0.00 47.33 46.21 1vre h GLY 107 CO -0.00 1.05 -0.00 0.00 0.00 0.00 0.00 176.54 177.59 1vre h ALA 108 N 0.61 -0.00 -0.02 3.60 0.00 0.13 -1.68 119.26 121.90 1vre h ALA 108 Ca -0.04 -0.09 0.01 0.00 0.00 0.00 0.00 54.91 54.79 1vre h ALA 108 Cb 1.35 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 19.14 1vre h ALA 108 CO 0.15 -0.41 0.14 0.77 0.00 0.00 0.00 179.25 179.89 1vre h SER 109 N -0.17 0.00 -0.16 0.00 0.02 -1.50 -1.40 113.55 110.34 1vre h SER 109 Ca -0.00 0.00 -0.06 0.00 -0.84 0.00 0.00 61.79 60.89 1vre h SER 109 Cb 0.17 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.71 1vre h SER 109 CO 0.00 0.00 -0.12 0.25 -1.14 0.00 0.00 176.83 175.82 1vre h LEU 110 N 0.00 0.39 -1.95 5.07 6.46 -1.11 -2.25 115.31 121.91 1vre h LEU 110 Ca 0.01 -0.45 0.04 0.00 -0.12 0.00 0.00 57.88 57.36 1vre h LEU 110 Cb 0.29 -0.11 -0.01 0.00 -0.73 0.00 0.00 40.66 40.10 1vre h LEU 110 CO -0.00 0.76 0.13 -0.07 -0.62 0.00 0.00 178.44 178.64 1vre h LEU 111 N 0.03 0.06 -0.14 2.25 3.38 -1.18 0.21 115.31 119.91 1vre h LEU 111 Ca 0.03 -0.00 -0.21 0.00 0.09 0.00 0.00 57.88 57.79 1vre h LEU 111 Cb 0.63 -0.01 0.01 0.00 0.09 0.00 0.00 40.66 41.38 1vre h LEU 111 CO 0.03 0.04 -0.71 0.28 0.09 0.00 0.00 178.44 178.17 1vre h SER 112 N 0.06 0.88 0.64 -0.43 0.02 -1.46 -3.08 113.55 110.18 1vre h SER 112 Ca 0.09 -0.63 -0.16 0.00 -0.84 0.00 0.00 61.79 60.24 1vre h SER 112 Cb 0.26 -0.26 -0.02 0.00 0.14 0.00 0.00 62.40 62.53 1vre h SER 112 CO -0.01 1.37 -0.74 0.00 -1.14 0.00 0.00 176.83 176.31 1vre h ALA 113 N 0.53 0.75 -0.70 3.77 0.00 -0.69 -3.19 119.26 119.73 1vre h ALA 113 Ca -0.05 -0.66 0.01 0.00 0.00 0.00 0.00 54.91 54.21 1vre h ALA 113 Cb 1.35 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 19.00 1vre h ALA 113 CO 0.15 0.88 0.46 0.52 0.00 0.00 0.00 179.25 181.26 1vre h MET 114 N 0.05 0.92 -0.55 0.00 2.07 -0.61 -1.07 114.93 115.75 1vre h MET 114 Ca -0.02 -0.06 0.16 0.00 -2.07 0.00 0.00 59.70 57.72 1vre h MET 114 Cb 1.31 -0.21 -0.02 0.00 -1.87 0.00 0.00 31.60 30.81 1vre h MET 114 CO 0.10 0.61 0.63 1.49 1.07 0.00 0.00 176.91 180.82 1vre h GLU 115 N 0.95 0.00 0.12 1.72 4.81 -1.52 -1.31 114.58 119.35 1vre h GLU 115 Ca 0.26 0.00 0.02 0.00 -0.13 0.00 0.00 59.36 59.51 1vre h GLU 115 Cb -0.11 0.00 -0.04 0.00 0.63 0.00 0.00 28.75 29.23 1vre h GLU 115 CO -0.05 0.00 -0.35 0.45 -0.73 0.00 0.00 179.01 178.32 1vre h HIS 116 N 0.00 -0.97 0.68 0.92 3.86 -1.34 1.39 115.15 119.69 1vre h HIS 116 Ca 0.26 0.02 -0.03 0.00 -1.16 0.00 0.00 60.37 59.46 1vre h HIS 116 Cb 1.52 0.41 0.01 0.00 1.06 0.00 0.00 27.41 30.41 1vre h HIS 116 CO 0.00 -0.46 -0.33 -0.09 0.86 0.00 0.00 177.93 177.91 1vre h ARG 117 N -0.59 -0.88 -2.24 2.45 1.12 -1.40 -3.28 114.38 109.56 1vre h ARG 117 Ca 0.03 0.06 -0.78 0.00 -1.11 0.00 0.00 59.98 58.18 1vre h ARG 117 Cb 0.61 0.20 -0.29 0.00 -0.01 0.00 0.00 29.97 30.48 1vre h ARG 117 CO -0.21 -0.55 0.79 0.44 -3.11 0.00 0.00 179.97 177.33 1vre n ILE 118 N -5.41 5.58 0.21 1.20 -5.35 -1.16 -4.72 119.36 109.70 1vre n ILE 118 Ca -0.12 -5.87 0.06 0.00 -0.27 0.00 0.00 62.75 56.55 1vre n ILE 118 Cb 0.38 -1.52 0.45 0.00 -1.74 0.00 0.00 39.64 37.21 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 3.98 0.00 0.43 3.28 0.00 0.18 1.16 103.07 112.11 1vre h GLY 119 Ca 0.48 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.81 1vre h GLY 119 CO 1.13 0.00 -1.38 0.61 0.00 0.00 0.00 176.54 176.90 1vre n GLY 120 N -0.38 -1.18 0.04 4.60 0.00 -1.26 -4.23 105.19 102.78 1vre n GLY 120 Ca -0.01 -0.42 0.04 0.00 0.00 0.00 0.00 46.02 45.62 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 -2.21 0.73 -2.14 1.61 4.01 -1.00 -4.76 118.16 114.40 1vre n LYS 121 Ca -0.01 -0.12 -0.30 0.00 -0.51 0.00 0.00 58.31 57.37 1vre n LYS 121 Cb 0.51 -1.48 -0.05 0.00 -0.51 0.00 0.00 35.03 33.50 1vre n LYS 121 CO 0.00 0.00 0.00 1.41 -1.11 0.00 0.00 177.40 177.70 1vre s MET 122 N -3.07 2.71 0.00 1.97 1.75 0.40 -4.89 119.30 118.17 1vre s MET 122 Ca -0.08 -0.96 0.00 0.00 -1.25 0.00 0.00 55.69 53.40 1vre s MET 122 Cb 0.10 -5.22 0.00 0.00 2.84 0.00 0.00 34.83 32.55 1vre s MET 122 CO 0.81 -3.53 0.00 0.27 -0.65 0.00 0.00 175.02 171.91 1vre n ASN 123 N 13.40 0.00 -0.04 1.11 0.23 -1.26 -4.78 115.26 123.91 1vre n ASN 123 Ca 0.43 -0.79 -0.12 0.00 -0.53 0.00 0.00 54.58 53.57 1vre n ASN 123 Cb 0.47 0.00 -0.06 0.00 -2.08 0.00 0.00 39.78 38.11 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 -1.85 0.19 -0.42 -2.53 0.00 -1.99 -2.47 119.26 110.18 1vre h ALA 124 Ca 0.00 -0.18 0.09 0.00 0.00 0.00 0.00 54.91 54.81 1vre h ALA 124 Cb 0.00 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 1vre h ALA 124 CO 0.00 -0.13 0.29 0.00 0.00 0.00 0.00 179.25 179.42 1vre h ALA 125 N 0.77 2.14 0.21 0.00 0.00 -1.96 0.50 119.26 120.92 1vre h ALA 125 Ca 0.04 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 1vre h ALA 125 Cb 0.35 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.11 1vre h ALA 125 CO 0.01 -0.24 -0.10 0.00 0.00 0.00 0.00 179.25 178.92 1vre h ALA 126 N 1.78 -0.28 0.00 0.00 0.00 -1.79 1.39 119.26 120.37 1vre h ALA 126 Ca 0.19 -0.18 -0.07 0.00 0.00 0.00 0.00 54.91 54.86 1vre h ALA 126 Cb 0.52 0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.41 1vre h ALA 126 CO -0.03 -0.49 -0.33 1.57 0.00 0.00 0.00 179.25 179.97 1vre h LYS 127 N -0.61 0.00 0.14 0.00 2.10 -0.97 -2.01 116.57 115.22 1vre h LYS 127 Ca -0.03 0.00 -0.30 0.00 -2.00 0.00 0.00 60.65 58.32 1vre h LYS 127 Cb 0.44 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.78 1vre h LYS 127 CO 0.05 0.33 -1.45 0.22 -2.00 0.00 0.00 179.45 176.60 1vre h ASP 128 N 0.00 0.46 -0.38 7.07 1.82 0.14 -1.58 116.42 123.95 1vre h ASP 128 Ca -0.00 -0.57 -0.08 0.00 -0.39 0.00 0.00 57.03 55.99 1vre h ASP 128 Cb 0.75 -0.15 -0.01 0.00 0.68 0.00 0.00 39.33 40.60 1vre h ASP 128 CO 0.04 1.47 -0.06 0.00 -1.61 0.00 0.00 179.24 179.08 1vre h ALA 129 N 0.46 0.52 0.00 -0.78 0.00 0.21 -2.91 119.26 116.76 1vre h ALA 129 Ca -0.22 -0.29 -0.16 0.00 0.00 0.00 0.00 54.91 54.24 1vre h ALA 129 Cb 2.02 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 19.66 1vre h ALA 129 CO 0.19 0.35 -0.76 -1.49 0.00 0.00 0.00 179.25 177.54 1vre h TRP 130 N 0.52 0.00 -0.84 0.00 4.06 -1.47 -2.71 115.95 115.50 1vre h TRP 130 Ca 0.10 0.00 0.17 0.00 2.06 0.00 0.00 58.89 61.22 1vre h TRP 130 Cb 0.56 0.00 -0.10 0.00 -1.00 0.00 0.00 29.16 28.62 1vre h TRP 130 CO 0.05 0.76 0.39 0.00 -3.56 0.00 0.00 178.44 176.08 1vre h ALA 131 N 1.24 1.27 0.00 1.49 0.00 -1.08 1.54 119.26 123.72 1vre h ALA 131 Ca -0.01 0.12 0.00 0.00 0.00 0.00 0.00 54.91 55.02 1vre h ALA 131 Cb 1.42 0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.27 1vre h ALA 131 CO 0.10 -0.20 -0.53 0.00 0.00 0.00 0.00 179.25 178.62 1vre h ALA 132 N 1.60 0.69 0.00 0.00 0.00 -1.53 -3.24 119.26 116.79 1vre h ALA 132 Ca 0.48 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.39 1vre h ALA 132 Cb 0.77 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.56 1vre h ALA 132 CO -0.43 0.00 -0.34 0.00 0.00 0.00 0.00 179.25 178.49 1vre h ALA 133 N 2.27 0.00 -0.67 0.00 0.00 0.12 -2.71 119.26 118.27 1vre h ALA 133 Ca 0.00 -0.37 0.19 0.00 0.00 0.00 0.00 54.91 54.73 1vre h ALA 133 Cb 0.87 0.34 -0.03 0.00 0.00 0.00 0.00 17.79 18.97 1vre h ALA 133 CO 0.00 0.34 0.62 0.10 0.00 0.00 0.00 179.25 180.31 1vre h TYR 134 N -0.84 0.00 0.04 0.00 -0.00 0.17 1.19 116.97 117.53 1vre h TYR 134 Ca 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 58.73 58.48 1vre h TYR 134 Cb 0.34 0.00 -0.02 0.00 0.00 0.00 0.00 36.73 37.04 1vre h TYR 134 CO -0.15 0.00 -1.22 0.00 -0.00 0.00 0.00 178.16 176.79 1vre h ALA 135 N 1.38 0.37 0.18 0.10 0.00 -1.67 -2.77 119.26 116.85 1vre h ALA 135 Ca 0.32 -1.02 -0.32 0.00 0.00 0.00 0.00 54.91 53.88 1vre h ALA 135 Cb 1.56 0.03 0.01 0.00 0.00 0.00 0.00 17.79 19.40 1vre h ALA 135 CO -0.00 1.25 -1.50 -0.44 0.00 0.00 0.00 179.25 178.56 1vre h ASP 136 N 0.02 0.60 0.61 0.00 5.19 0.13 -1.55 116.42 121.41 1vre h ASP 136 Ca -0.11 -0.73 -0.03 0.00 -0.62 0.00 0.00 57.03 55.55 1vre h ASP 136 Cb 1.87 -0.20 0.01 0.00 0.18 0.00 0.00 39.33 41.19 1vre h ASP 136 CO 0.14 1.59 -0.29 0.40 -3.12 0.00 0.00 179.24 177.95 1vre h ILE 137 N 0.11 0.20 0.00 0.35 5.03 0.83 0.12 117.51 124.15 1vre h ILE 137 Ca -0.24 -0.36 -0.04 0.00 -0.12 0.00 0.00 64.86 64.10 1vre h ILE 137 Cb 2.08 0.27 -0.01 0.00 -3.03 0.00 0.00 36.82 36.14 1vre h ILE 137 CO 0.21 0.03 -0.21 0.28 -0.68 0.00 0.00 178.15 177.78 1vre h SER 138 N -1.11 0.00 0.04 1.72 0.02 -1.64 -2.17 113.55 110.41 1vre h SER 138 Ca -0.08 0.00 -0.15 0.00 -0.84 0.00 0.00 61.79 60.72 1vre h SER 138 Cb 0.67 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.20 1vre h SER 138 CO 0.14 0.21 -0.49 1.23 -1.14 0.00 0.00 176.83 176.78 1vre h GLY 139 N 0.65 0.57 2.00 -3.77 0.00 -1.14 -2.69 103.07 98.68 1vre h GLY 139 Ca -0.00 -0.62 -0.03 0.00 0.00 0.00 0.00 47.33 46.68 1vre h GLY 139 CO 0.03 0.56 -0.13 0.00 0.00 0.00 0.00 176.54 177.00 1vre h ALA 140 N 1.06 1.18 0.00 3.60 0.00 -0.09 -1.60 119.26 123.41 1vre h ALA 140 Ca 0.02 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.81 1vre h ALA 140 Cb 1.01 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.78 1vre h ALA 140 CO 0.09 0.16 0.00 1.25 0.00 0.00 0.00 179.25 180.75 1vre h LEU 141 N 0.00 0.00 0.00 0.00 6.46 -1.32 -2.82 115.31 117.63 1vre h LEU 141 Ca -0.00 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.76 1vre h LEU 141 Cb 0.42 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.35 1vre h LEU 141 CO 0.02 0.00 0.00 -0.38 -0.62 0.00 0.00 178.44 177.46 1vre n ILE 142 N -2.66 0.03 0.08 4.05 5.41 -0.60 -2.29 119.36 123.38 1vre n ILE 142 Ca 0.03 0.01 -0.01 0.00 1.00 0.00 0.00 62.75 63.78 1vre n ILE 142 Cb 0.36 -0.60 0.27 0.00 -0.71 0.00 0.00 39.64 38.97 1vre n ILE 142 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 176.55 176.83 1vre h SER 143 N 0.00 0.31 0.00 4.38 0.02 -1.65 -3.23 113.55 113.38 1vre h SER 143 Ca 0.00 -0.10 0.00 0.00 -0.84 0.00 0.00 61.79 60.85 1vre h SER 143 Cb 0.04 -0.08 0.00 0.00 0.14 0.00 0.00 62.40 62.50 1vre h SER 143 CO 0.00 0.58 -0.18 0.61 -1.14 0.00 0.00 176.83 176.70 1vre n GLY 144 N -0.47 0.75 3.40 -3.77 0.00 -1.19 -4.89 105.19 99.02 1vre n GLY 144 Ca -0.01 -0.05 -0.45 0.00 0.00 0.00 0.00 46.02 45.52 1vre n GLY 144 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1vre s LEU 145 N -2.18 5.60 0.00 0.99 2.96 -0.97 -4.01 118.68 121.06 1vre s LEU 145 Ca 0.01 -2.13 0.00 0.00 -0.22 0.00 0.00 54.13 51.78 1vre s LEU 145 Cb 0.01 -2.33 0.00 0.00 0.50 0.00 0.00 46.19 44.37 1vre s LEU 145 CO 0.07 -0.93 0.00 0.00 -1.32 0.00 0.00 176.35 174.17 1vre n GLN 146 N 5.77 5.96 0.00 1.98 1.13 -1.26 -4.50 117.38 126.45 1vre n GLN 146 Ca 0.16 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.22 1vre n GLN 146 Cb 0.47 -0.57 0.00 0.00 0.11 0.00 0.00 30.24 30.25 1vre n GLN 146 CO 0.00 0.00 0.00 0.43 -1.44 0.00 0.00 177.06 176.05