#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1vre n LEU 2 N 0.00 -0.87 0.00 0.99 4.77 -1.26 -5.04 117.00 115.59 1vre n LEU 2 Ca 0.00 2.03 0.00 0.00 -0.03 0.00 0.00 56.01 58.01 1vre n LEU 2 Cb 0.00 -3.46 0.00 0.00 -2.33 0.00 0.00 43.42 37.63 1vre n LEU 2 CO 0.00 -2.20 0.00 -1.54 -1.33 0.00 0.00 177.39 172.32 1vre n SER 3 N -4.26 0.00 -0.02 -1.43 3.41 -1.26 -4.99 113.62 105.07 1vre n SER 3 Ca -0.07 0.00 -0.16 0.00 -0.26 0.00 0.00 58.87 58.39 1vre n SER 3 Cb 0.63 0.00 -0.14 0.00 -0.26 0.00 0.00 64.21 64.44 1vre n SER 3 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1vre n ALA 4 N -3.00 1.18 0.07 7.33 0.00 -1.26 -3.43 120.51 121.40 1vre n ALA 4 Ca 0.00 -0.71 0.08 0.00 0.00 0.00 0.00 53.44 52.81 1vre n ALA 4 Cb 0.00 -0.70 -0.04 0.00 0.00 0.00 0.00 19.45 18.71 1vre n ALA 4 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1vre n ALA 5 N -2.82 2.39 -0.03 0.00 0.00 -1.26 -3.81 120.51 114.98 1vre n ALA 5 Ca -0.27 -0.35 -0.14 0.00 0.00 0.00 0.00 53.44 52.68 1vre n ALA 5 Cb 1.05 -1.03 -0.11 0.00 0.00 0.00 0.00 19.45 19.36 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 0.13 -0.80 0.00 4.20 -1.96 -3.12 115.11 113.57 1vre h GLN 6 Ca -0.05 -0.13 0.11 0.00 0.06 0.00 0.00 58.65 58.64 1vre h GLN 6 Cb 1.16 0.03 -0.08 0.00 0.30 0.00 0.00 27.48 28.89 1vre h GLN 6 CO 0.01 0.84 0.43 -0.09 -0.67 0.00 0.00 178.83 179.35 1vre h ARG 7 N -0.53 0.67 -0.97 1.46 1.12 -1.72 0.29 114.38 114.71 1vre h ARG 7 Ca -0.02 -0.04 0.18 0.00 -1.11 0.00 0.00 59.98 58.99 1vre h ARG 7 Cb 0.89 -0.15 -0.09 0.00 -0.01 0.00 0.00 29.97 30.61 1vre h ARG 7 CO 0.03 0.44 0.61 1.96 -3.11 0.00 0.00 179.97 179.91 1vre h GLN 8 N 0.69 0.67 0.00 0.20 7.50 -1.65 1.06 115.11 123.57 1vre h GLN 8 Ca 0.40 -0.04 -0.09 0.00 0.50 0.00 0.00 58.65 59.42 1vre h GLN 8 Cb 0.44 -0.15 -0.01 0.00 0.05 0.00 0.00 27.48 27.80 1vre h GLN 8 CO -0.28 0.44 -0.41 0.28 -1.50 0.00 0.00 178.83 177.36 1vre h VAL 9 N 0.69 0.94 -0.01 -0.54 2.07 -0.42 -1.53 116.25 117.45 1vre h VAL 9 Ca 0.53 -1.63 -0.11 0.00 0.82 0.00 0.00 66.70 66.30 1vre h VAL 9 Cb 0.91 1.98 0.01 0.00 -1.52 0.00 0.00 31.29 32.67 1vre h VAL 9 CO -0.29 0.40 -0.44 0.58 0.02 0.00 0.00 177.57 177.84 1vre h VAL 10 N 0.00 1.48 0.00 2.57 2.07 0.22 -2.02 116.25 120.56 1vre h VAL 10 Ca -0.00 -2.01 0.00 0.00 0.82 0.00 0.00 66.70 65.51 1vre h VAL 10 Cb 0.95 2.65 0.00 0.00 -1.52 0.00 0.00 31.29 33.37 1vre h VAL 10 CO 0.05 0.57 0.00 0.00 0.02 0.00 0.00 177.57 178.21 1vre n ALA 11 N -2.56 1.89 -0.02 1.67 0.00 0.11 -2.11 120.51 119.49 1vre n ALA 11 Ca -0.10 0.01 -0.06 0.00 0.00 0.00 0.00 53.44 53.29 1vre n ALA 11 Cb 0.59 -1.38 -0.13 0.00 0.00 0.00 0.00 19.45 18.53 1vre n ALA 11 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1vre n SER 12 N -1.99 0.70 0.02 0.00 2.88 -0.58 -3.71 113.62 110.93 1vre n SER 12 Ca 0.04 0.32 0.12 0.00 -1.33 0.00 0.00 58.87 58.02 1vre n SER 12 Cb 0.28 0.23 0.18 0.00 -0.75 0.00 0.00 64.21 64.15 1vre n SER 12 CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16 1vre n THR 13 N -2.93 0.11 0.08 2.46 -2.24 -0.77 -3.87 114.28 107.12 1vre n THR 13 Ca -0.17 -0.10 0.08 0.00 -2.27 0.00 0.00 64.05 61.59 1vre n THR 13 Cb 1.00 0.20 -0.03 0.00 -2.10 0.00 0.00 70.33 69.39 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 -1.72 0.94 1.37 4.78 -0.00 -0.90 -3.29 117.44 118.62 1vre n TRP 14 Ca 0.04 0.29 0.13 0.00 -0.00 0.00 0.00 57.50 57.96 1vre n TRP 14 Cb 0.38 -0.99 0.69 0.00 -0.00 0.00 0.00 31.31 31.39 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 -2.73 0.53 -0.04 5.87 5.02 -1.24 -2.36 118.16 123.21 1vre n LYS 15 Ca -0.03 0.03 -0.09 0.00 -2.02 0.00 0.00 58.31 56.20 1vre n LYS 15 Cb 0.64 -1.50 -0.03 0.00 -0.02 0.00 0.00 35.03 34.12 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 -1.18 1.33 -0.34 4.39 -0.08 -1.24 -4.11 116.55 115.31 1vre n ASP 16 Ca 0.15 0.21 -0.03 0.00 -1.51 0.00 0.00 54.79 53.61 1vre n ASP 16 Cb 0.16 -0.50 0.09 0.00 2.34 0.00 0.00 41.12 43.22 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 -0.52 1.25 -0.87 5.18 2.04 -1.67 -1.82 117.51 121.10 1vre h ILE 17 Ca -0.16 -0.51 -0.50 0.00 1.00 0.00 0.00 64.86 64.70 1vre h ILE 17 Cb 0.86 -0.08 -0.26 0.00 -0.74 0.00 0.00 36.82 36.60 1vre h ILE 17 CO -0.10 0.25 0.64 0.00 0.00 0.00 0.00 178.15 178.94 1vre n ALA 18 N -2.37 5.47 -1.00 1.87 0.00 -0.99 -4.10 120.51 119.38 1vre n ALA 18 Ca 0.10 -2.68 0.00 0.00 0.00 0.00 0.00 53.44 50.86 1vre n ALA 18 Cb 0.04 -1.48 0.00 0.00 0.00 0.00 0.00 19.45 18.01 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 -0.82 -3.24 0.63 0.00 0.00 -0.69 -2.98 105.19 98.09 1vre n GLY 19 Ca 0.53 0.31 0.06 0.00 0.00 0.00 0.00 46.02 46.92 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 -0.69 3.07 -0.00 1.61 3.41 -1.26 -4.48 113.62 115.27 1vre n SER 20 Ca 0.00 -2.31 0.00 0.00 -0.26 0.00 0.00 58.87 56.31 1vre n SER 20 Cb 0.00 -0.30 -0.01 0.00 -0.26 0.00 0.00 64.21 63.64 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 0.08 3.40 -2.35 4.04 5.75 -1.26 -5.00 116.55 121.21 1vre n ASP 21 Ca 0.13 -0.15 -0.17 0.00 -0.01 0.00 0.00 54.79 54.59 1vre n ASP 21 Cb 0.54 1.03 -0.01 0.00 -1.03 0.00 0.00 41.12 41.65 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 -1.38 -4.90 0.00 -1.12 2.85 -1.16 -0.59 115.26 108.96 1vre n ASN 22 Ca -0.00 0.11 0.00 0.00 -0.11 0.00 0.00 54.58 54.58 1vre n ASN 22 Cb 0.02 -4.13 0.00 0.00 1.24 0.00 0.00 39.78 36.91 1vre n ASN 22 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1vre n GLY 23 N -0.87 0.89 0.09 8.20 0.00 -1.26 -3.21 105.19 109.04 1vre n GLY 23 Ca -0.20 -0.47 -0.11 0.00 0.00 0.00 0.00 46.02 45.24 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 0.17 -0.32 4.61 0.00 -1.14 -1.82 119.26 120.77 1vre h ALA 24 Ca 0.00 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.86 1vre h ALA 24 Cb 0.15 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 17.88 1vre h ALA 24 CO 0.00 -0.30 0.01 0.41 0.00 0.00 0.00 179.25 179.37 1vre n GLY 25 N -0.93 2.32 0.00 0.00 0.00 -1.26 -3.44 105.19 101.88 1vre n GLY 25 Ca -0.05 -0.50 0.03 0.00 0.00 0.00 0.00 46.02 45.50 1vre n GLY 25 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1vre n VAL 26 N 0.33 0.00 -0.04 1.61 0.31 -0.72 -4.37 118.33 115.44 1vre n VAL 26 Ca 0.15 -0.19 -0.00 0.00 -0.01 0.00 0.00 64.34 64.28 1vre n VAL 26 Cb 0.77 0.50 -0.12 0.00 -0.91 0.00 0.00 33.84 34.09 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 1.91 -0.70 0.13 2.92 0.00 -0.96 -3.48 105.19 105.01 1vre n GLY 27 Ca -0.01 -0.30 -0.10 0.00 0.00 0.00 0.00 46.02 45.62 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 0.24 0.00 1.61 2.10 -1.72 -2.16 116.57 116.64 1vre h LYS 28 Ca -0.22 -0.26 0.00 0.00 -2.00 0.00 0.00 60.65 58.17 1vre h LYS 28 Cb 1.36 0.07 0.00 0.00 -0.90 0.00 0.00 32.23 32.76 1vre h LYS 28 CO 0.01 0.98 -1.03 -0.85 -2.00 0.00 0.00 179.45 176.57 1vre n GLU 29 N -3.68 0.25 -0.07 0.07 0.00 -1.26 -3.69 120.64 112.26 1vre n GLU 29 Ca -0.04 -0.01 -0.04 0.00 0.00 0.00 0.00 57.16 57.07 1vre n GLU 29 Cb 0.81 -1.57 -0.01 0.00 0.00 0.00 0.00 31.44 30.66 1vre n GLU 29 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1vre h PHE 31 N -1.00 0.00 0.46 0.00 0.04 -1.61 -2.43 116.94 112.40 1vre h PHE 31 Ca -0.01 0.00 -0.01 0.00 2.80 0.00 0.00 57.97 60.75 1vre h PHE 31 Cb 0.43 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.56 1vre h PHE 31 CO -0.17 0.00 -0.50 1.79 -0.60 0.00 0.00 178.31 178.83 1vre h THR 32 N 0.00 0.00 -0.34 -1.55 1.35 -1.71 0.13 112.91 110.79 1vre h THR 32 Ca 0.15 0.00 0.07 0.00 -0.55 0.00 0.00 66.41 66.08 1vre h THR 32 Cb 0.65 0.00 -0.07 0.00 -1.73 0.00 0.00 68.15 67.00 1vre h THR 32 CO -0.00 0.00 -0.12 0.11 -0.25 0.00 0.00 175.52 175.26 1vre h LYS 33 N -0.96 -0.05 -0.56 4.72 6.56 -1.56 -0.63 116.57 124.08 1vre h LYS 33 Ca -0.06 0.00 0.11 0.00 -1.06 0.00 0.00 60.65 59.65 1vre h LYS 33 Cb 0.84 0.01 -0.09 0.00 -0.57 0.00 0.00 32.23 32.42 1vre h LYS 33 CO -0.08 -0.03 0.01 0.35 -2.06 0.00 0.00 179.45 177.64 1vre h PHE 34 N -0.05 -0.01 -0.67 -1.35 3.57 -1.27 0.18 116.94 117.34 1vre h PHE 34 Ca 0.17 0.04 0.04 0.00 3.53 0.00 0.00 57.97 61.74 1vre h PHE 34 Cb 0.31 0.09 -0.04 0.00 2.79 0.00 0.00 35.95 39.09 1vre h PHE 34 CO -0.34 -0.13 0.41 -0.07 -2.23 0.00 0.00 178.31 175.95 1vre h LEU 35 N 0.13 0.66 0.06 0.59 3.38 0.66 0.29 115.31 121.09 1vre h LEU 35 Ca 0.29 0.01 -0.00 0.00 0.09 0.00 0.00 57.88 58.26 1vre h LEU 35 Cb 0.45 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.07 1vre h LEU 35 CO -0.47 0.45 -0.03 0.28 0.09 0.00 0.00 178.44 178.77 1vre h SER 36 N 0.79 -0.07 -0.38 -0.43 0.02 0.39 -3.04 113.55 110.84 1vre h SER 36 Ca 0.28 0.00 0.11 0.00 -0.84 0.00 0.00 61.79 61.34 1vre h SER 36 Cb 0.05 0.02 -0.02 0.00 0.14 0.00 0.00 62.40 62.60 1vre h SER 36 CO -0.12 -0.03 0.54 0.00 -1.14 0.00 0.00 176.83 176.08 1vre h ALA 37 N -1.93 2.05 -3.46 3.77 0.00 -0.77 -3.32 119.26 115.60 1vre h ALA 37 Ca -0.01 -0.01 -0.59 0.00 0.00 0.00 0.00 54.91 54.30 1vre h ALA 37 Cb 0.06 0.03 -0.39 0.00 0.00 0.00 0.00 17.79 17.49 1vre h ALA 37 CO 0.01 -0.74 -0.77 -1.01 0.00 0.00 0.00 179.25 176.75 1vre s HIS 38 N -4.45 2.13 -0.34 0.00 3.76 0.10 -4.96 115.29 111.53 1vre s HIS 38 Ca -0.04 -1.71 0.23 0.00 -0.15 0.00 0.00 55.06 53.39 1vre s HIS 38 Cb 0.13 -1.65 0.16 0.00 1.11 0.00 0.00 32.58 32.34 1vre s HIS 38 CO 0.45 -0.79 1.30 0.45 -0.85 0.00 0.00 174.74 175.31 1vre h HIS 39 N 8.00 0.00 0.00 1.40 -0.00 -1.65 -3.22 115.15 119.68 1vre h HIS 39 Ca -0.15 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.22 1vre h HIS 39 Cb 1.06 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 28.47 1vre h HIS 39 CO 0.42 0.00 0.00 0.38 -0.00 0.00 0.00 177.93 178.73 1vre h ASP 40 N 0.00 0.00 0.00 2.45 2.03 -1.93 -2.66 116.42 116.32 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 0.00 -1.46 0.23 -1.03 0.00 0.00 179.24 176.98 1vre n MET 41 N -2.49 0.59 0.19 4.15 2.81 -1.22 -4.26 117.12 116.89 1vre n MET 41 Ca 0.02 -0.10 -0.07 0.00 -1.81 0.00 0.00 57.70 55.73 1vre n MET 41 Cb 0.26 -1.45 -0.04 0.00 -0.71 0.00 0.00 33.22 31.29 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 2.26 -1.09 -0.32 3.04 0.00 -1.49 0.22 119.26 121.88 1vre h ALA 42 Ca 0.00 -0.11 0.09 0.00 0.00 0.00 0.00 54.91 54.90 1vre h ALA 42 Cb 0.71 0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.67 1vre h ALA 42 CO 0.00 -1.05 0.41 0.00 0.00 0.00 0.00 179.25 178.61 1vre h ALA 43 N -1.76 1.95 0.28 0.00 0.00 -1.65 -0.30 119.26 117.76 1vre h ALA 43 Ca -0.05 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.84 1vre h ALA 43 Cb 0.37 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.19 1vre h ALA 43 CO 0.08 -0.57 -0.13 0.28 0.00 0.00 0.00 179.25 178.91 1vre h VAL 44 N 0.00 0.55 0.00 0.00 2.07 -1.57 -3.09 116.25 114.21 1vre h VAL 44 Ca 0.15 -0.86 -0.00 0.00 0.82 0.00 0.00 66.70 66.81 1vre h VAL 44 Cb 0.97 0.89 -0.00 0.00 -1.52 0.00 0.00 31.29 31.63 1vre h VAL 44 CO -0.00 0.13 -0.01 -0.26 0.02 0.00 0.00 177.57 177.44 1vre h PHE 45 N -0.94 0.00 0.00 1.57 0.04 0.73 -3.41 116.94 114.93 1vre h PHE 45 Ca -0.04 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.73 1vre h PHE 45 Cb 0.50 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.65 1vre h PHE 45 CO 0.05 0.01 0.00 0.41 -0.60 0.00 0.00 178.31 178.18 1vre n GLY 46 N -1.23 1.78 3.52 -1.45 0.00 -0.26 -5.04 105.19 102.52 1vre n GLY 46 Ca -0.03 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.75 1vre n GLY 46 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1vre s PHE 47 N -2.00 2.22 -0.14 1.61 0.08 -0.64 -4.97 117.98 114.13 1vre s PHE 47 Ca 0.00 -0.74 0.14 0.00 0.12 0.00 0.00 56.93 56.45 1vre s PHE 47 Cb 0.00 -1.44 -0.21 0.00 -0.57 0.00 0.00 43.02 40.80 1vre s PHE 47 CO 0.00 0.30 0.37 0.45 -0.10 0.00 0.00 175.22 176.24 1vre n SER 48 N -0.78 1.50 0.00 1.36 2.88 -1.26 -3.06 113.62 114.26 1vre n SER 48 Ca -0.04 -0.15 0.00 0.00 -1.33 0.00 0.00 58.87 57.35 1vre n SER 48 Cb 0.66 1.54 0.00 0.00 -0.75 0.00 0.00 64.21 65.66 1vre n SER 48 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1vre n GLY 49 N 1.62 -1.25 0.11 0.46 0.00 -1.26 -4.94 105.19 99.93 1vre n GLY 49 Ca -0.02 -0.95 0.09 0.00 0.00 0.00 0.00 46.02 45.14 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 0.00 1.26 -1.06 4.61 0.00 -1.26 -2.77 120.51 121.29 1vre n ALA 50 Ca 0.00 0.11 -0.18 0.00 0.00 0.00 0.00 53.44 53.37 1vre n ALA 50 Cb 0.00 -1.28 -0.02 0.00 0.00 0.00 0.00 19.45 18.16 1vre n ALA 50 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1vre n SER 51 N -2.06 6.26 -3.92 0.00 2.88 -1.26 -4.82 113.62 110.69 1vre n SER 51 Ca 0.00 -3.00 -0.25 0.00 -1.33 0.00 0.00 58.87 54.29 1vre n SER 51 Cb 0.09 -1.15 -0.17 0.00 -0.75 0.00 0.00 64.21 62.23 1vre n SER 51 CO 0.00 0.00 0.00 -1.81 -1.23 0.00 0.00 175.04 172.00 1vre s ASP 52 N 0.56 1.88 0.54 -3.46 1.11 -1.11 -4.98 116.67 111.21 1vre s ASP 52 Ca 0.41 -0.26 0.31 0.00 0.18 0.00 0.00 52.55 53.18 1vre s ASP 52 Cb 0.27 -0.76 1.50 0.00 1.07 0.00 0.00 42.92 45.00 1vre s ASP 52 CO -0.07 -0.08 2.06 1.55 1.18 0.00 0.00 175.17 179.81 1vre h PRO 53 N 7.75 0.00 -0.80 8.23 0.13 -1.92 -2.61 132.00 142.79 1vre h PRO 53 Ca -0.30 0.00 0.23 0.00 -0.87 0.00 0.00 66.00 65.06 1vre h PRO 53 Cb 1.15 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.25 1vre h PRO 53 CO 0.42 0.09 0.58 0.78 -0.23 0.00 0.00 178.00 179.64 1vre h GLY 54 N 1.17 0.00 0.78 1.56 0.00 -1.94 0.13 103.07 104.76 1vre h GLY 54 Ca -0.00 0.00 0.05 0.00 0.00 0.00 0.00 47.33 47.38 1vre h GLY 54 CO 0.01 0.00 0.47 -2.08 0.00 0.00 0.00 176.54 174.94 1vre h VAL 55 N 0.00 1.05 0.00 4.60 2.07 -1.83 0.13 116.25 122.28 1vre h VAL 55 Ca 0.38 -0.30 0.00 0.00 0.82 0.00 0.00 66.70 67.59 1vre h VAL 55 Cb 1.52 0.09 0.00 0.00 -1.52 0.00 0.00 31.29 31.38 1vre h VAL 55 CO -0.00 0.16 0.00 0.00 0.02 0.00 0.00 177.57 177.75 1vre h ALA 56 N 1.35 1.00 0.18 1.67 0.00 -0.95 -1.86 119.26 120.65 1vre h ALA 56 Ca 0.33 0.00 -0.32 0.00 0.00 0.00 0.00 54.91 54.91 1vre h ALA 56 Cb 0.11 0.00 0.01 0.00 0.00 0.00 0.00 17.79 17.91 1vre h ALA 56 CO -0.15 0.00 -1.53 -0.44 0.00 0.00 0.00 179.25 177.13 1vre h ASP 57 N 0.00 0.59 0.08 0.00 5.19 -0.70 -3.01 116.42 118.57 1vre h ASP 57 Ca 0.00 -0.74 -0.00 0.00 -0.62 0.00 0.00 57.03 55.67 1vre h ASP 57 Cb 0.42 -0.19 0.00 0.00 0.18 0.00 0.00 39.33 39.74 1vre h ASP 57 CO 0.00 1.60 -0.04 -0.07 -3.12 0.00 0.00 179.24 177.61 1vre h LEU 58 N 0.10 -0.09 -0.74 1.55 3.38 -0.87 -2.66 115.31 115.98 1vre h LEU 58 Ca -0.26 0.00 0.17 0.00 0.09 0.00 0.00 57.88 57.88 1vre h LEU 58 Cb 2.08 0.02 -0.12 0.00 0.09 0.00 0.00 40.66 42.73 1vre h LEU 58 CO 0.21 0.09 0.05 1.23 0.09 0.00 0.00 178.44 180.11 1vre h GLY 59 N -0.43 0.88 0.93 0.83 0.00 -1.48 0.58 103.07 104.38 1vre h GLY 59 Ca -0.01 0.07 0.06 0.00 0.00 0.00 0.00 47.33 47.44 1vre h GLY 59 CO 0.02 -0.26 0.56 0.00 0.00 0.00 0.00 176.54 176.86 1vre h ALA 60 N 1.67 1.53 0.00 3.60 0.00 -1.65 0.69 119.26 125.11 1vre h ALA 60 Ca 0.41 -0.03 -0.15 0.00 0.00 0.00 0.00 54.91 55.14 1vre h ALA 60 Cb 0.72 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.22 1vre h ALA 60 CO -0.61 0.35 -0.72 0.87 0.00 0.00 0.00 179.25 179.14 1vre h LYS 61 N 0.99 0.00 0.22 0.00 1.57 0.29 -3.28 116.57 116.36 1vre h LYS 61 Ca 0.36 0.00 -0.30 0.00 -1.87 0.00 0.00 60.65 58.84 1vre h LYS 61 Cb 0.16 0.00 0.03 0.00 0.08 0.00 0.00 32.23 32.51 1vre h LYS 61 CO -0.13 0.72 -1.33 0.28 -0.57 0.00 0.00 179.45 178.42 1vre h VAL 62 N 0.00 1.32 -0.62 0.50 2.07 0.12 -3.33 116.25 116.31 1vre h VAL 62 Ca -0.01 -2.64 0.12 0.00 0.82 0.00 0.00 66.70 65.00 1vre h VAL 62 Cb 1.40 3.07 -0.12 0.00 -1.52 0.00 0.00 31.29 34.12 1vre h VAL 62 CO 0.09 0.79 -0.15 -0.07 0.02 0.00 0.00 177.57 178.25 1vre h LEU 63 N 0.00 -0.57 -0.49 2.57 -0.00 0.28 -0.19 115.31 116.92 1vre h LEU 63 Ca -0.24 0.18 0.10 0.00 -0.00 0.00 0.00 57.88 57.93 1vre h LEU 63 Cb 2.03 0.38 -0.10 0.00 -0.00 0.00 0.00 40.66 42.97 1vre h LEU 63 CO 0.24 -0.20 -0.17 0.00 -0.00 0.00 0.00 178.44 178.30 1vre h ALA 64 N 1.62 0.23 -0.65 1.53 0.00 -1.60 0.54 119.26 120.92 1vre h ALA 64 Ca 0.30 0.18 0.14 0.00 0.00 0.00 0.00 54.91 55.53 1vre h ALA 64 Cb 0.45 0.46 -0.11 0.00 0.00 0.00 0.00 17.79 18.59 1vre h ALA 64 CO -0.63 -0.50 0.04 0.37 0.00 0.00 0.00 179.25 178.53 1vre h GLN 65 N -0.06 0.14 -0.53 0.00 5.75 -1.16 0.37 115.11 119.62 1vre h GLN 65 Ca 0.23 -0.01 0.05 0.00 -0.15 0.00 0.00 58.65 58.78 1vre h GLN 65 Cb 0.42 -0.03 -0.05 0.00 1.07 0.00 0.00 27.48 28.88 1vre h GLN 65 CO -0.53 0.09 0.25 0.82 -2.65 0.00 0.00 178.83 176.81 1vre h ILE 66 N 0.15 0.92 0.10 2.39 1.08 -0.64 0.15 117.51 121.65 1vre h ILE 66 Ca 0.35 -0.17 -0.00 0.00 -0.39 0.00 0.00 64.86 64.65 1vre h ILE 66 Cb 0.57 0.39 0.00 0.00 -3.07 0.00 0.00 36.82 34.72 1vre h ILE 66 CO -0.54 0.09 -0.05 1.23 -0.69 0.00 0.00 178.15 178.20 1vre h GLY 67 N 0.48 -0.14 1.41 5.37 0.00 0.40 0.46 103.07 111.06 1vre h GLY 67 Ca 0.24 0.05 0.07 0.00 0.00 0.00 0.00 47.33 47.69 1vre h GLY 67 CO -0.19 -0.05 0.24 -2.08 0.00 0.00 0.00 176.54 174.46 1vre h VAL 68 N -0.20 0.91 0.09 4.60 2.07 0.17 -1.12 116.25 122.76 1vre h VAL 68 Ca -0.01 -0.06 -0.27 0.00 0.82 0.00 0.00 66.70 67.18 1vre h VAL 68 Cb 0.16 0.73 -0.01 0.00 -1.52 0.00 0.00 31.29 30.66 1vre h VAL 68 CO 0.02 0.03 -1.33 0.00 0.02 0.00 0.00 177.57 176.32 1vre h ALA 69 N 1.82 0.26 0.00 1.67 0.00 0.00 -3.22 119.26 119.79 1vre h ALA 69 Ca 0.16 -1.01 0.00 0.00 0.00 0.00 0.00 54.91 54.06 1vre h ALA 69 Cb 0.42 0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.31 1vre h ALA 69 CO -0.02 1.13 0.00 0.28 0.00 0.00 0.00 179.25 180.64 1vre h VAL 70 N 0.05 0.00 0.00 0.00 2.07 0.11 -1.53 116.25 116.96 1vre h VAL 70 Ca -0.16 -0.26 0.00 0.00 0.82 0.00 0.00 66.70 67.10 1vre h VAL 70 Cb 1.95 1.19 0.00 0.00 -1.52 0.00 0.00 31.29 32.91 1vre h VAL 70 CO 0.17 0.00 0.00 0.28 0.02 0.00 0.00 177.57 178.04 1vre h SER 71 N 0.00 0.00 0.00 0.57 0.02 -1.41 -3.42 113.55 109.31 1vre h SER 71 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1vre h SER 71 Cb 0.28 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.82 1vre h SER 71 CO 0.00 0.00 0.00 1.41 -1.14 0.00 0.00 176.83 177.10 1vre n HIS 72 N -2.36 0.00 0.00 3.45 8.25 -0.59 -4.94 115.22 119.03 1vre n HIS 72 Ca 0.04 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.50 1vre n HIS 72 Cb 0.34 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.45 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 -0.12 0.00 0.27 2.41 4.77 -1.11 -3.62 117.00 119.60 1vre n LEU 73 Ca 0.00 0.00 0.11 0.00 -0.03 0.00 0.00 56.01 56.09 1vre n LEU 73 Cb 0.00 0.00 0.74 0.00 -2.33 0.00 0.00 43.42 41.83 1vre n LEU 73 CO 0.00 0.00 1.08 1.23 -1.33 0.00 0.00 177.39 178.37 1vre h GLY 74 N 0.00 0.00 -5.00 -0.72 0.00 -1.91 -3.40 103.07 92.03 1vre h GLY 74 Ca 0.00 0.00 -0.61 0.00 0.00 0.00 0.00 47.33 46.72 1vre h GLY 74 CO 0.00 0.00 -0.22 -0.35 0.00 0.00 0.00 176.54 175.97 1vre s ASP 75 N -6.69 6.77 -0.43 0.19 -1.08 -1.24 -5.01 116.67 109.17 1vre s ASP 75 Ca -0.05 0.92 0.10 0.00 -0.52 0.00 0.00 52.55 53.00 1vre s ASP 75 Cb 0.16 -2.23 0.37 0.00 -1.46 0.00 0.00 42.92 39.75 1vre s ASP 75 CO 0.62 0.32 0.85 1.21 0.52 0.00 0.00 175.17 178.69 1vre n GLU 76 N 1.73 1.83 -0.32 4.34 2.13 -1.26 -4.70 120.64 124.39 1vre n GLU 76 Ca -0.14 -3.88 0.01 0.00 0.66 0.00 0.00 57.16 53.81 1vre n GLU 76 Cb 0.52 -1.85 0.01 0.00 0.27 0.00 0.00 31.44 30.40 1vre n GLU 76 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1vre n GLY 77 N 0.03 -0.09 0.30 8.31 0.00 -1.26 -4.92 105.19 107.56 1vre n GLY 77 Ca 0.26 -0.08 0.00 0.00 0.00 0.00 0.00 46.02 46.20 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 -0.11 0.00 -0.34 1.61 4.81 -1.26 -4.88 118.16 117.98 1vre n LYS 78 Ca 0.01 0.00 0.21 0.00 -0.87 0.00 0.00 58.31 57.66 1vre n LYS 78 Cb 0.63 0.00 0.44 0.00 0.02 0.00 0.00 35.03 36.12 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 0.47 0.00 1.64 4.05 -1.91 1.09 114.93 120.27 1vre h MET 79 Ca 0.00 -0.03 -0.09 0.00 -0.28 0.00 0.00 59.70 59.30 1vre h MET 79 Cb 0.00 -0.10 -0.01 0.00 -0.80 0.00 0.00 31.60 30.68 1vre h MET 79 CO 0.00 0.31 -0.42 0.28 0.23 0.00 0.00 176.91 177.30 1vre h VAL 80 N 0.48 0.83 -0.60 -5.77 2.07 -1.92 -2.00 116.25 109.33 1vre h VAL 80 Ca 0.65 -1.84 0.05 0.00 0.82 0.00 0.00 66.70 66.37 1vre h VAL 80 Cb 1.41 2.17 -0.05 0.00 -1.52 0.00 0.00 31.29 33.31 1vre h VAL 80 CO -0.43 0.42 0.33 0.00 0.02 0.00 0.00 177.57 177.90 1vre h ALA 81 N 1.58 0.79 0.11 1.67 0.00 0.91 0.58 119.26 124.89 1vre h ALA 81 Ca -0.00 0.01 -0.23 0.00 0.00 0.00 0.00 54.91 54.69 1vre h ALA 81 Cb 1.14 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.82 1vre h ALA 81 CO 0.06 0.01 -1.14 0.93 0.00 0.00 0.00 179.25 179.10 1vre h GLU 82 N 0.63 0.24 0.72 0.00 5.08 -1.50 -3.09 114.58 116.65 1vre h GLU 82 Ca 0.26 -0.41 -0.03 0.00 -1.00 0.00 0.00 59.36 58.18 1vre h GLU 82 Cb 0.14 0.15 -0.00 0.00 0.50 0.00 0.00 28.75 29.53 1vre h GLU 82 CO -0.16 1.20 -0.43 0.52 -1.00 0.00 0.00 179.01 179.14 1vre h MET 83 N -0.39 -1.04 -0.83 2.33 2.86 -1.22 -0.24 114.93 116.40 1vre h MET 83 Ca -0.24 0.07 0.22 0.00 -2.06 0.00 0.00 59.70 57.69 1vre h MET 83 Cb 1.67 0.24 -0.04 0.00 0.06 0.00 0.00 31.60 33.52 1vre h MET 83 CO 0.07 -0.69 0.58 -0.22 1.06 0.00 0.00 176.91 177.71 1vre h LYS 84 N -1.08 0.11 -0.26 1.72 3.11 0.12 0.18 116.57 120.48 1vre h LYS 84 Ca -0.09 -0.01 -0.05 0.00 -2.81 0.00 0.00 60.65 57.69 1vre h LYS 84 Cb 0.86 -0.03 -0.01 0.00 -1.00 0.00 0.00 32.23 32.06 1vre h LYS 84 CO 0.10 0.08 -0.03 0.00 -2.81 0.00 0.00 179.45 176.79 1vre h ALA 85 N 1.60 0.35 -0.58 5.00 0.00 -1.14 -2.82 119.26 121.68 1vre h ALA 85 Ca 0.40 -0.25 0.11 0.00 0.00 0.00 0.00 54.91 55.18 1vre h ALA 85 Cb 1.42 -0.09 -0.09 0.00 0.00 0.00 0.00 17.79 19.02 1vre h ALA 85 CO -0.05 0.12 0.06 0.28 0.00 0.00 0.00 179.25 179.65 1vre h VAL 86 N 0.24 0.58 -0.22 0.00 2.07 0.10 0.12 116.25 119.15 1vre h VAL 86 Ca 0.07 -0.06 0.05 0.00 0.82 0.00 0.00 66.70 67.58 1vre h VAL 86 Cb 0.47 0.39 -0.06 0.00 -1.52 0.00 0.00 31.29 30.58 1vre h VAL 86 CO 0.02 0.03 -0.14 1.23 0.02 0.00 0.00 177.57 178.73 1vre h GLY 87 N 0.18 0.02 0.59 2.17 0.00 -1.32 0.34 103.07 105.04 1vre h GLY 87 Ca 0.30 0.18 0.15 0.00 0.00 0.00 0.00 47.33 47.96 1vre h GLY 87 CO -0.45 -0.15 0.54 -2.08 0.00 0.00 0.00 176.54 174.40 1vre h VAL 88 N -0.13 0.80 0.24 4.60 2.07 -0.80 0.83 116.25 123.87 1vre h VAL 88 Ca 0.13 -0.18 -0.01 0.00 0.82 0.00 0.00 66.70 67.46 1vre h VAL 88 Cb 0.32 0.24 0.00 0.00 -1.52 0.00 0.00 31.29 30.33 1vre h VAL 88 CO -0.30 0.09 -0.12 0.03 0.02 0.00 0.00 177.57 177.29 1vre h ARG 89 N 0.51 -0.32 -0.75 1.57 2.47 0.93 -2.95 114.38 115.85 1vre h ARG 89 Ca 0.41 0.02 0.22 0.00 -1.26 0.00 0.00 59.98 59.37 1vre h ARG 89 Cb 0.84 0.07 -0.03 0.00 -1.65 0.00 0.00 29.97 29.20 1vre h ARG 89 CO -0.15 0.05 0.55 0.45 0.56 0.00 0.00 179.97 181.42 1vre h HIS 90 N -0.86 0.00 0.00 3.04 3.86 0.30 0.87 115.15 122.35 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 0.51 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.98 1vre h HIS 90 CO 0.05 0.00 0.00 1.17 0.86 0.00 0.00 177.93 180.01 1vre n LYS 91 N -4.27 0.00 -2.73 2.45 4.81 0.21 -3.28 118.16 115.36 1vre n LYS 91 Ca 0.15 0.30 -0.10 0.00 -0.87 0.00 0.00 58.31 57.79 1vre n LYS 91 Cb 0.83 -1.50 0.03 0.00 0.02 0.00 0.00 35.03 34.41 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 -0.30 1.75 0.00 3.14 0.00 0.30 -4.81 105.19 105.27 1vre n GLY 92 Ca 0.03 -1.25 0.00 0.00 0.00 0.00 0.00 46.02 44.80 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 -0.05 -1.43 -0.14 1.61 4.02 -1.15 -4.94 117.16 115.08 1vre n TYR 93 Ca 0.10 0.00 -0.07 0.00 -0.01 0.00 0.00 57.90 57.93 1vre n TYR 93 Cb 0.80 0.00 0.10 0.00 -0.02 0.00 0.00 39.34 40.22 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 0.96 0.70 2.72 0.00 -1.93 -3.11 103.07 102.41 1vre h GLY 94 Ca 0.00 -0.69 -0.17 0.00 0.00 0.00 0.00 47.33 46.46 1vre h GLY 94 CO 0.00 0.64 -0.74 -0.57 0.00 0.00 0.00 176.54 175.87 1vre h ASN 95 N 0.82 0.47 0.00 0.19 -1.24 -1.90 -3.47 115.58 110.45 1vre h ASN 95 Ca 0.15 -0.91 0.00 0.00 0.71 0.00 0.00 56.30 56.25 1vre h ASN 95 Cb 0.54 -0.15 0.00 0.00 0.73 0.00 0.00 38.32 39.44 1vre h ASN 95 CO 0.03 1.34 0.00 1.17 -1.29 0.00 0.00 177.43 178.68 1vre n LYS 96 N -4.16 0.00 0.00 6.67 4.81 -1.18 -4.68 118.16 119.63 1vre n LYS 96 Ca -0.13 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.31 1vre n LYS 96 Cb 0.78 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.83 1vre n LYS 96 CO 0.00 0.00 0.00 0.72 1.17 0.00 0.00 177.40 179.29 1vre n HIS 97 N 0.00 0.00 -1.52 5.64 8.25 -1.26 -4.65 115.22 121.68 1vre n HIS 97 Ca 0.00 0.00 0.11 0.00 -0.26 0.00 0.00 57.72 57.57 1vre n HIS 97 Cb 0.00 0.00 -0.06 0.00 1.12 0.00 0.00 29.99 31.05 1vre n HIS 97 CO 0.00 0.00 0.00 -0.89 0.64 0.00 0.00 176.34 176.09 1vre n ILE 98 N -0.18 -1.69 -3.74 1.59 5.41 -1.26 -4.63 119.36 114.87 1vre n ILE 98 Ca 0.00 1.15 -0.13 0.00 1.00 0.00 0.00 62.75 64.77 1vre n ILE 98 Cb 0.00 -1.82 -0.09 0.00 -0.71 0.00 0.00 39.64 37.02 1vre n ILE 98 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 176.55 176.01 1vre s LYS 99 N -4.77 0.55 0.00 0.38 3.01 -1.26 -4.89 119.74 112.77 1vre s LYS 99 Ca 0.00 0.25 0.29 0.00 -1.01 0.00 0.00 55.97 55.49 1vre s LYS 99 Cb 0.00 0.26 1.29 0.00 -1.01 0.00 0.00 37.83 38.37 1vre s LYS 99 CO 0.00 -0.11 1.94 0.00 0.51 0.00 0.00 175.35 177.69 1vre n ALA 100 N 2.19 2.34 0.22 5.17 0.00 -1.26 -3.04 120.51 126.14 1vre n ALA 100 Ca -0.16 -0.11 0.12 0.00 0.00 0.00 0.00 53.44 53.28 1vre n ALA 100 Cb 0.57 -1.46 0.34 0.00 0.00 0.00 0.00 19.45 18.90 1vre n ALA 100 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 1vre h GLU 101 N 0.00 0.00 0.00 0.00 4.39 -2.02 -2.92 114.58 114.03 1vre h GLU 101 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1vre h GLU 101 Cb 0.42 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.07 1vre h GLU 101 CO 0.00 0.12 -0.38 1.88 -1.16 0.00 0.00 179.01 179.47 1vre h TYR 102 N 0.00 0.00 0.35 4.33 -1.99 -1.97 -3.37 116.97 114.32 1vre h TYR 102 Ca -0.00 0.00 -0.02 0.00 2.00 0.00 0.00 58.73 60.71 1vre h TYR 102 Cb 0.88 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.61 1vre h TYR 102 CO 0.00 0.00 -0.17 0.74 -0.00 0.00 0.00 178.16 178.73 1vre h PHE 103 N 0.00 -0.44 -0.66 4.88 -1.00 -1.66 -1.32 116.94 116.75 1vre h PHE 103 Ca 0.00 -0.01 0.08 0.00 2.81 0.00 0.00 57.97 60.85 1vre h PHE 103 Cb 0.77 0.14 -0.10 0.00 3.61 0.00 0.00 35.95 40.37 1vre h PHE 103 CO 0.00 -0.27 -0.54 0.93 -1.61 0.00 0.00 178.31 176.82 1vre h GLU 104 N -0.54 -0.21 0.00 1.51 5.08 -1.73 0.42 114.58 119.11 1vre h GLU 104 Ca -0.05 0.01 0.03 0.00 -1.00 0.00 0.00 59.36 58.36 1vre h GLU 104 Cb 0.36 0.05 -0.05 0.00 0.50 0.00 0.00 28.75 29.61 1vre h GLU 104 CO 0.08 -0.14 -0.34 -1.00 -1.00 0.00 0.00 179.01 176.61 1vre h PRO 105 N -0.22 -0.48 -0.02 2.33 0.13 -1.72 0.34 132.00 132.37 1vre h PRO 105 Ca 0.14 0.03 0.00 0.00 -0.87 0.00 0.00 66.00 65.30 1vre h PRO 105 Cb 0.53 0.11 -0.00 0.00 0.13 0.00 0.00 31.00 31.77 1vre h PRO 105 CO -0.75 -0.32 0.07 1.25 -0.23 0.00 0.00 178.00 178.02 1vre h LEU 106 N -0.50 0.00 -0.03 1.56 7.12 -0.10 -1.77 115.31 121.60 1vre h LEU 106 Ca 0.06 0.00 -0.05 0.00 0.13 0.00 0.00 57.88 58.02 1vre h LEU 106 Cb 0.58 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 40.72 1vre h LEU 106 CO -0.28 0.00 -0.17 1.23 -0.13 0.00 0.00 178.44 179.09 1vre h GLY 107 N 0.00 0.18 0.88 3.75 0.00 0.38 -2.72 103.07 105.53 1vre h GLY 107 Ca 0.01 -0.26 -0.01 0.00 0.00 0.00 0.00 47.33 47.07 1vre h GLY 107 CO -0.00 0.23 -0.20 0.00 0.00 0.00 0.00 176.54 176.57 1vre h ALA 108 N 0.35 -0.49 -0.26 3.60 0.00 -0.35 -0.88 119.26 121.23 1vre h ALA 108 Ca -0.01 -0.09 0.08 0.00 0.00 0.00 0.00 54.91 54.88 1vre h ALA 108 Cb 0.86 0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.89 1vre h ALA 108 CO 0.04 -0.79 0.31 0.77 0.00 0.00 0.00 179.25 179.58 1vre h SER 109 N -0.50 0.00 -0.43 0.00 0.02 -1.58 0.81 113.55 111.87 1vre h SER 109 Ca -0.03 0.00 -0.06 0.00 -0.84 0.00 0.00 61.79 60.86 1vre h SER 109 Cb 0.42 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.94 1vre h SER 109 CO 0.02 0.00 0.05 0.25 -1.14 0.00 0.00 176.83 176.01 1vre h LEU 110 N 0.00 0.77 -0.53 5.07 6.46 -0.82 -2.46 115.31 123.80 1vre h LEU 110 Ca 0.13 -0.17 -0.05 0.00 -0.12 0.00 0.00 57.88 57.66 1vre h LEU 110 Cb 0.74 -0.20 -0.02 0.00 -0.73 0.00 0.00 40.66 40.45 1vre h LEU 110 CO -0.00 0.80 0.12 -0.07 -0.62 0.00 0.00 178.44 178.67 1vre h LEU 111 N 0.76 0.81 -2.00 2.25 3.38 -0.72 -0.53 115.31 119.26 1vre h LEU 111 Ca 0.16 -0.24 -0.02 0.00 0.09 0.00 0.00 57.88 57.87 1vre h LEU 111 Cb 0.39 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 40.93 1vre h LEU 111 CO 0.01 0.84 -0.08 -1.28 0.09 0.00 0.00 178.44 178.02 1vre h SER 112 N 0.75 0.00 0.27 -0.43 0.87 -1.47 -2.70 113.55 110.84 1vre h SER 112 Ca 0.17 0.00 -0.34 0.00 -1.23 0.00 0.00 61.79 60.39 1vre h SER 112 Cb 0.35 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.31 1vre h SER 112 CO 0.00 0.08 -1.70 0.00 -0.53 0.00 0.00 176.83 174.69 1vre h ALA 113 N 1.92 0.20 -0.69 6.23 0.00 -0.92 -3.35 119.26 122.65 1vre h ALA 113 Ca -0.00 -1.14 0.11 0.00 0.00 0.00 0.00 54.91 53.88 1vre h ALA 113 Cb 0.32 0.41 -0.08 0.00 0.00 0.00 0.00 17.79 18.44 1vre h ALA 113 CO 0.01 1.07 0.29 0.52 0.00 0.00 0.00 179.25 181.14 1vre h MET 114 N 0.10 0.46 -1.05 0.00 2.07 -0.79 0.18 114.93 115.90 1vre h MET 114 Ca -0.32 -0.03 0.30 0.00 -2.07 0.00 0.00 59.70 57.59 1vre h MET 114 Cb 2.08 -0.10 -0.04 0.00 -1.87 0.00 0.00 31.60 31.66 1vre h MET 114 CO 0.17 0.31 0.86 0.93 1.07 0.00 0.00 176.91 180.25 1vre h GLU 115 N 0.48 0.00 -0.15 1.72 5.08 -1.67 0.73 114.58 120.77 1vre h GLU 115 Ca 0.36 0.00 0.04 0.00 -1.00 0.00 0.00 59.36 58.77 1vre h GLU 115 Cb 0.47 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.71 1vre h GLU 115 CO -0.33 0.00 0.14 0.45 -1.00 0.00 0.00 179.01 178.27 1vre h HIS 116 N 0.00 0.00 0.00 4.33 3.86 -0.83 1.44 115.15 123.94 1vre h HIS 116 Ca 0.50 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.71 1vre h HIS 116 Cb 2.20 0.00 0.00 0.00 1.06 0.00 0.00 27.41 30.67 1vre h HIS 116 CO 0.00 0.00 -0.23 -2.13 0.86 0.00 0.00 177.93 176.43 1vre n ARG 117 N -4.05 0.20 0.03 2.45 0.00 0.25 -4.67 116.66 110.88 1vre n ARG 117 Ca 0.01 0.37 -0.19 0.00 -0.00 0.00 0.00 57.85 58.04 1vre n ARG 117 Cb 0.26 -1.16 -0.14 0.00 0.00 0.00 0.00 32.46 31.42 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 -0.44 0.87 0.00 5.15 3.07 -1.55 -3.47 117.51 121.15 1vre h ILE 118 Ca 0.00 -2.55 0.00 0.00 1.55 0.00 0.00 64.86 63.86 1vre h ILE 118 Cb 0.23 2.62 0.00 0.00 -0.27 0.00 0.00 36.82 39.40 1vre h ILE 118 CO 0.00 0.81 0.00 0.61 -1.05 0.00 0.00 178.15 178.52 1vre n GLY 119 N 1.82 0.54 0.33 0.16 0.00 0.49 -1.33 105.19 107.19 1vre n GLY 119 Ca -0.24 0.32 0.24 0.00 0.00 0.00 0.00 46.02 46.33 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 1.93 2.00 -0.02 0.00 -1.90 1.28 103.07 106.36 1vre h GLY 120 Ca 0.00 -0.14 -0.14 0.00 0.00 0.00 0.00 47.33 47.05 1vre h GLY 120 CO 0.00 -0.58 -0.67 0.50 0.00 0.00 0.00 176.54 175.80 1vre h LYS 121 N 0.17 0.00 -5.67 4.80 1.79 -1.59 -3.42 116.57 112.65 1vre h LYS 121 Ca 0.73 0.00 -0.49 0.00 -2.18 0.00 0.00 60.65 58.71 1vre h LYS 121 Cb 1.72 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 32.37 1vre h LYS 121 CO -0.70 0.67 1.61 -0.12 -1.08 0.00 0.00 179.45 179.83 1vre n MET 122 N -3.49 1.18 -2.70 3.15 1.56 0.44 -4.92 117.12 112.33 1vre n MET 122 Ca 0.00 0.09 -0.18 0.00 -0.27 0.00 0.00 57.70 57.34 1vre n MET 122 Cb 0.72 -3.34 0.07 0.00 2.15 0.00 0.00 33.22 32.82 1vre n MET 122 CO 0.00 0.00 0.00 0.27 -0.73 0.00 0.00 175.97 175.51 1vre n ASN 123 N 14.95 1.77 -0.21 6.12 6.94 -1.26 -4.91 115.26 138.66 1vre n ASN 123 Ca 0.37 -2.32 -0.07 0.00 -0.02 0.00 0.00 54.58 52.54 1vre n ASN 123 Cb 0.51 -0.42 0.03 0.00 -2.36 0.00 0.00 39.78 37.54 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 0.02 0.76 0.00 -2.53 0.00 -2.00 -1.29 119.26 114.22 1vre h ALA 124 Ca -0.25 -0.12 -0.02 0.00 0.00 0.00 0.00 54.91 54.52 1vre h ALA 124 Cb 1.12 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 18.67 1vre h ALA 124 CO 0.34 0.31 -0.11 0.00 0.00 0.00 0.00 179.25 179.79 1vre h ALA 125 N 1.13 1.26 -0.03 0.00 0.00 -1.97 0.10 119.26 119.75 1vre h ALA 125 Ca 0.21 -0.10 -0.03 0.00 0.00 0.00 0.00 54.91 54.99 1vre h ALA 125 Cb 0.09 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.86 1vre h ALA 125 CO -0.03 0.14 -0.09 0.00 0.00 0.00 0.00 179.25 179.27 1vre h ALA 126 N 1.89 0.05 0.00 0.00 0.00 -1.59 0.15 119.26 119.76 1vre h ALA 126 Ca -0.00 -0.35 -0.14 0.00 0.00 0.00 0.00 54.91 54.42 1vre h ALA 126 Cb 0.34 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.10 1vre h ALA 126 CO 0.01 -0.07 -0.65 1.57 0.00 0.00 0.00 179.25 180.11 1vre h LYS 127 N -0.47 0.00 -0.04 0.00 2.10 -1.12 -2.30 116.57 114.73 1vre h LYS 127 Ca -0.00 0.00 -0.24 0.00 -2.00 0.00 0.00 60.65 58.41 1vre h LYS 127 Cb 0.72 0.00 0.01 0.00 -0.90 0.00 0.00 32.23 32.06 1vre h LYS 127 CO 0.02 0.65 -0.93 0.22 -2.00 0.00 0.00 179.45 177.41 1vre h ASP 128 N 0.00 0.78 -0.36 7.07 3.58 -0.82 0.13 116.42 126.79 1vre h ASP 128 Ca -0.01 -0.59 -0.06 0.00 0.42 0.00 0.00 57.03 56.79 1vre h ASP 128 Cb 1.17 -0.24 -0.01 0.00 1.72 0.00 0.00 39.33 41.97 1vre h ASP 128 CO 0.08 1.38 -0.03 0.00 -2.88 0.00 0.00 179.24 177.80 1vre h ALA 129 N 0.58 0.49 -0.04 -0.78 0.00 -0.91 -2.91 119.26 115.69 1vre h ALA 129 Ca -0.09 -0.27 -0.17 0.00 0.00 0.00 0.00 54.91 54.39 1vre h ALA 129 Cb 1.57 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 19.21 1vre h ALA 129 CO 0.18 0.28 -0.71 -1.49 0.00 0.00 0.00 179.25 177.51 1vre h TRP 130 N 0.46 0.30 -0.95 0.00 4.06 -1.44 -2.10 115.95 116.29 1vre h TRP 130 Ca 0.10 -0.13 0.28 0.00 2.06 0.00 0.00 58.89 61.19 1vre h TRP 130 Cb 0.51 -0.05 -0.04 0.00 -1.00 0.00 0.00 29.16 28.58 1vre h TRP 130 CO 0.04 0.86 0.83 0.00 -3.56 0.00 0.00 178.44 176.60 1vre h ALA 131 N 1.11 2.81 0.00 1.49 0.00 -0.53 0.50 119.26 124.64 1vre h ALA 131 Ca -0.02 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.86 1vre h ALA 131 Cb 1.26 0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.13 1vre h ALA 131 CO 0.11 -1.32 -1.04 0.00 0.00 0.00 0.00 179.25 177.01 1vre n ALA 132 N -2.54 3.04 0.01 0.00 0.00 -1.11 -4.26 120.51 115.65 1vre n ALA 132 Ca 0.20 -0.32 -0.01 0.00 0.00 0.00 0.00 53.44 53.32 1vre n ALA 132 Cb 1.14 -0.43 -0.00 0.00 0.00 0.00 0.00 19.45 20.16 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 1.43 -0.34 -0.00 0.00 0.00 0.71 -1.73 119.26 119.32 1vre h ALA 133 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1vre h ALA 133 Cb 0.42 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.22 1vre h ALA 133 CO 0.00 -0.33 0.08 0.10 0.00 0.00 0.00 179.25 179.10 1vre h TYR 134 N -0.10 0.00 -0.13 0.00 -0.00 -1.74 0.56 116.97 115.56 1vre h TYR 134 Ca -0.00 0.00 -0.21 0.00 0.00 0.00 0.00 58.73 58.52 1vre h TYR 134 Cb 0.03 0.00 0.01 0.00 0.00 0.00 0.00 36.73 36.77 1vre h TYR 134 CO 0.07 0.00 -0.73 0.00 -0.00 0.00 0.00 178.16 177.50 1vre h ALA 135 N 1.83 0.27 0.00 0.10 0.00 -1.72 -1.58 119.26 118.16 1vre h ALA 135 Ca 0.00 -0.59 -0.18 0.00 0.00 0.00 0.00 54.91 54.15 1vre h ALA 135 Cb 0.17 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 1vre h ALA 135 CO -0.00 0.61 -0.85 0.22 0.00 0.00 0.00 179.25 179.24 1vre h ASP 136 N 0.44 0.05 0.60 0.00 3.58 -0.02 -2.75 116.42 118.31 1vre h ASP 136 Ca -0.05 -0.04 -0.03 0.00 0.42 0.00 0.00 57.03 57.33 1vre h ASP 136 Cb 1.37 -0.01 0.01 0.00 1.72 0.00 0.00 39.33 42.41 1vre h ASP 136 CO 0.15 0.87 -0.29 0.40 -2.88 0.00 0.00 179.24 177.49 1vre h ILE 137 N 0.02 0.00 0.00 2.25 2.04 -1.01 -2.84 117.51 117.97 1vre h ILE 137 Ca -0.02 -0.41 0.00 0.00 1.00 0.00 0.00 64.86 65.43 1vre h ILE 137 Cb 1.49 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 37.57 1vre h ILE 137 CO 0.11 0.00 0.11 0.77 0.00 0.00 0.00 178.15 179.15 1vre h SER 138 N -1.22 0.00 0.11 1.72 4.64 -1.39 -2.02 113.55 115.41 1vre h SER 138 Ca -0.08 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.23 1vre h SER 138 Cb 0.61 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.71 1vre h SER 138 CO 0.13 0.00 -0.06 1.23 -0.87 0.00 0.00 176.83 177.27 1vre h GLY 139 N 0.00 -0.16 0.97 -0.77 0.00 -1.25 -2.88 103.07 98.97 1vre h GLY 139 Ca 0.00 0.06 0.11 0.00 0.00 0.00 0.00 47.33 47.50 1vre h GLY 139 CO 0.00 -0.06 0.41 0.00 0.00 0.00 0.00 176.54 176.89 1vre h ALA 140 N 0.14 2.08 0.00 3.60 0.00 -1.18 0.69 119.26 124.60 1vre h ALA 140 Ca -0.02 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1vre h ALA 140 Cb 0.50 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.32 1vre h ALA 140 CO 0.03 -0.61 0.00 -0.11 0.00 0.00 0.00 179.25 178.56 1vre n LEU 141 N -3.73 0.25 -1.37 0.00 0.00 -1.09 -2.72 117.00 108.33 1vre n LEU 141 Ca 0.07 0.54 0.01 0.00 0.00 0.00 0.00 56.01 56.63 1vre n LEU 141 Cb 0.58 -0.49 0.22 0.00 0.00 0.00 0.00 43.42 43.73 1vre n LEU 141 CO 0.28 -0.24 0.66 -0.38 0.00 0.00 0.00 177.39 177.71 1vre n ILE 142 N -1.75 1.71 -0.01 1.96 5.41 0.24 -3.27 119.36 123.65 1vre n ILE 142 Ca 0.04 -0.86 0.05 0.00 1.00 0.00 0.00 62.75 62.99 1vre n ILE 142 Cb 0.26 -0.42 -0.09 0.00 -0.71 0.00 0.00 39.64 38.68 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 0.24 2.40 -0.00 4.38 7.64 -1.10 -4.66 113.62 122.52 1vre n SER 143 Ca 0.19 0.00 0.01 0.00 1.01 0.00 0.00 58.87 60.07 1vre n SER 143 Cb 0.86 1.49 -0.02 0.00 -1.01 0.00 0.00 64.21 65.54 1vre n SER 143 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1vre n GLY 144 N 1.87 -0.09 0.00 0.23 0.00 -1.25 -4.92 105.19 101.03 1vre n GLY 144 Ca -0.03 -0.04 0.00 0.00 0.00 0.00 0.00 46.02 45.95 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 -1.70 0.00 -3.08 0.99 7.94 -1.20 -3.25 117.00 116.69 1vre n LEU 145 Ca -0.01 0.00 -0.18 0.00 -1.11 0.00 0.00 56.01 54.71 1vre n LEU 145 Cb 0.19 0.00 -0.01 0.00 0.53 0.00 0.00 43.42 44.13 1vre n LEU 145 CO 0.04 0.00 -0.07 0.00 -1.11 0.00 0.00 177.39 176.25 1vre n GLN 146 N 0.00 -2.83 0.00 1.96 3.00 -1.26 -4.72 117.38 113.53 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 -5.01 0.00 0.00 0.00 0.00 0.00 30.24 25.23 1vre n GLN 146 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.06 175.93