#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 0.00 -4.98 0.99 4.77 -1.24 -5.04 117.00 111.49 1vre n LEU 2 Ca 0.00 0.00 -0.21 0.00 -0.03 0.00 0.00 56.01 55.77 1vre n LEU 2 Cb 0.00 0.00 0.06 0.00 -2.33 0.00 0.00 43.42 41.15 1vre n LEU 2 CO 0.00 -0.66 0.40 -0.94 -1.33 0.00 0.00 177.39 174.87 1vre s SER 3 N -1.25 5.03 0.50 -1.43 1.04 -1.26 -4.88 113.70 111.44 1vre s SER 3 Ca 0.00 -0.18 0.31 0.00 0.48 0.00 0.00 55.95 56.56 1vre s SER 3 Cb 0.00 -0.55 1.23 0.00 0.10 0.00 0.00 66.02 66.79 1vre s SER 3 CO 0.00 -1.33 1.92 0.00 0.98 0.00 0.00 173.24 174.80 1vre h ALA 4 N -0.06 1.00 0.02 5.32 0.00 -1.97 -2.35 119.26 121.22 1vre h ALA 4 Ca -0.40 0.00 -0.34 0.00 0.00 0.00 0.00 54.91 54.17 1vre h ALA 4 Cb 1.29 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 19.02 1vre h ALA 4 CO 0.48 0.00 -2.07 0.00 0.00 0.00 0.00 179.25 177.66 1vre n ALA 5 N -2.04 1.39 0.10 0.00 0.00 -1.26 -3.89 120.51 114.81 1vre n ALA 5 Ca 0.01 -0.96 -0.11 0.00 0.00 0.00 0.00 53.44 52.38 1vre n ALA 5 Cb 0.32 -0.52 -0.07 0.00 0.00 0.00 0.00 19.45 19.17 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 0.01 -0.31 -0.93 0.00 4.20 -1.91 -2.50 115.11 113.67 1vre h GLN 6 Ca -0.43 0.02 0.25 0.00 0.06 0.00 0.00 58.65 58.55 1vre h GLN 6 Cb 2.08 0.07 -0.05 0.00 0.30 0.00 0.00 27.48 29.88 1vre h GLN 6 CO 0.04 0.05 0.64 0.07 -0.67 0.00 0.00 178.83 178.96 1vre h ARG 7 N -0.89 0.17 -0.32 1.46 0.11 -1.64 0.37 114.38 113.64 1vre h ARG 7 Ca -0.03 -0.01 -0.16 0.00 0.10 0.00 0.00 59.98 59.87 1vre h ARG 7 Cb 0.51 -0.04 -0.00 0.00 1.11 0.00 0.00 29.97 31.54 1vre h ARG 7 CO 0.05 0.11 -0.45 0.37 0.10 0.00 0.00 179.97 180.16 1vre h GLN 8 N 0.18 0.84 0.00 0.08 5.75 -1.65 -2.59 115.11 117.71 1vre h GLN 8 Ca 0.47 -0.47 -0.08 0.00 -0.15 0.00 0.00 58.65 58.42 1vre h GLN 8 Cb 1.55 0.03 -0.01 0.00 1.07 0.00 0.00 27.48 30.12 1vre h GLN 8 CO -0.10 1.11 -0.36 0.28 -2.65 0.00 0.00 178.83 177.11 1vre h VAL 9 N 0.67 1.02 -0.20 2.39 2.07 0.13 -2.59 116.25 119.74 1vre h VAL 9 Ca 0.04 -1.34 -0.18 0.00 0.82 0.00 0.00 66.70 66.04 1vre h VAL 9 Cb 1.03 1.77 -0.00 0.00 -1.52 0.00 0.00 31.29 32.57 1vre h VAL 9 CO 0.10 0.35 -0.62 0.58 0.02 0.00 0.00 177.57 178.01 1vre h VAL 10 N 0.00 1.30 0.00 2.57 2.07 -0.94 -2.33 116.25 118.93 1vre h VAL 10 Ca -0.00 -1.85 0.00 0.00 0.82 0.00 0.00 66.70 65.66 1vre h VAL 10 Cb 0.74 1.81 0.00 0.00 -1.52 0.00 0.00 31.29 32.32 1vre h VAL 10 CO 0.05 0.58 0.00 0.00 0.02 0.00 0.00 177.57 178.22 1vre n ALA 11 N -2.55 2.03 0.03 1.67 0.00 -1.00 -2.18 120.51 118.51 1vre n ALA 11 Ca -0.04 0.02 0.00 0.00 0.00 0.00 0.00 53.44 53.42 1vre n ALA 11 Cb 0.65 -1.44 -0.09 0.00 0.00 0.00 0.00 19.45 18.58 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 -2.26 0.80 0.02 0.00 2.88 -0.99 -3.60 113.62 110.46 1vre n SER 12 Ca 0.04 0.35 0.11 0.00 -1.33 0.00 0.00 58.87 58.04 1vre n SER 12 Cb 0.35 0.26 0.08 0.00 -0.75 0.00 0.00 64.21 64.14 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 -2.86 0.10 0.05 2.46 -2.24 -0.90 -4.03 114.28 106.86 1vre n THR 13 Ca -0.10 -0.13 0.03 0.00 -2.27 0.00 0.00 64.05 61.58 1vre n THR 13 Cb 0.84 0.34 -0.06 0.00 -2.10 0.00 0.00 70.33 69.34 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 -1.75 0.98 0.89 4.78 -0.00 -0.93 -3.32 117.44 118.08 1vre n TRP 14 Ca 0.03 0.31 0.11 0.00 -0.00 0.00 0.00 57.50 57.96 1vre n TRP 14 Cb 0.39 -1.05 0.51 0.00 -0.00 0.00 0.00 31.31 31.16 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 -2.83 0.12 -0.09 5.87 5.02 -1.24 -1.84 118.16 123.17 1vre n LYS 15 Ca -0.07 0.10 -0.18 0.00 -2.02 0.00 0.00 58.31 56.14 1vre n LYS 15 Cb 0.77 -1.50 -0.06 0.00 -0.02 0.00 0.00 35.03 34.22 1vre n LYS 15 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 1vre n ASP 16 N -1.42 1.67 -0.08 4.39 8.00 -1.25 -3.80 116.55 124.06 1vre n ASP 16 Ca 0.07 0.28 -0.05 0.00 0.71 0.00 0.00 54.79 55.81 1vre n ASP 16 Cb 0.23 -0.67 0.16 0.00 -0.02 0.00 0.00 41.12 40.82 1vre n ASP 16 CO 0.00 0.00 0.00 0.40 -0.39 0.00 0.00 177.20 177.21 1vre h ILE 17 N -0.82 1.25 -0.90 0.53 2.04 -1.65 -2.73 117.51 115.23 1vre h ILE 17 Ca -0.34 -1.08 -0.53 0.00 1.00 0.00 0.00 64.86 63.92 1vre h ILE 17 Cb 1.23 0.99 -0.28 0.00 -0.74 0.00 0.00 36.82 38.01 1vre h ILE 17 CO -0.21 0.37 0.56 0.00 0.00 0.00 0.00 178.15 178.87 1vre n ALA 18 N -2.48 5.64 0.06 1.87 0.00 -0.77 -4.07 120.51 120.77 1vre n ALA 18 Ca 0.02 -3.16 -0.05 0.00 0.00 0.00 0.00 53.44 50.25 1vre n ALA 18 Cb 0.33 -1.40 -0.03 0.00 0.00 0.00 0.00 19.45 18.35 1vre n ALA 18 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 1vre h GLY 19 N 1.36 -1.03 0.00 0.00 0.00 -1.58 -2.98 103.07 98.84 1vre h GLY 19 Ca 0.56 0.47 0.00 0.00 0.00 0.00 0.00 47.33 48.37 1vre h GLY 19 CO 1.15 -0.35 -1.18 -1.14 0.00 0.00 0.00 176.54 175.01 1vre n SER 20 N -3.31 3.77 0.12 0.19 3.41 -1.26 -4.56 113.62 111.99 1vre n SER 20 Ca -0.03 -0.02 0.12 0.00 -0.26 0.00 0.00 58.87 58.67 1vre n SER 20 Cb 0.13 1.21 0.08 0.00 -0.26 0.00 0.00 64.21 65.37 1vre n SER 20 CO 0.00 0.00 0.00 -2.24 -0.16 0.00 0.00 175.04 172.64 1vre h ASP 21 N 0.00 0.00 -1.67 4.04 2.03 -1.81 -3.47 116.42 115.54 1vre h ASP 21 Ca 0.00 -0.03 -0.40 0.00 -0.73 0.00 0.00 57.03 55.87 1vre h ASP 21 Cb 0.22 0.00 -0.12 0.00 -0.83 0.00 0.00 39.33 38.60 1vre h ASP 21 CO 0.00 0.02 -0.40 -3.20 -1.03 0.00 0.00 179.24 174.62 1vre n ASN 22 N -2.68 -5.27 0.00 4.15 5.15 -1.12 -1.26 115.26 114.23 1vre n ASN 22 Ca 0.02 0.35 0.00 0.00 -0.60 0.00 0.00 54.58 54.34 1vre n ASN 22 Cb 0.53 -4.60 0.00 0.00 -0.53 0.00 0.00 39.78 35.18 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 -0.54 1.37 0.19 8.20 0.00 -1.26 -3.79 105.19 109.36 1vre n GLY 23 Ca -0.21 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.68 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 0.34 -0.28 4.61 0.00 -1.48 -2.80 119.26 119.65 1vre h ALA 24 Ca 0.00 -0.41 0.00 0.00 0.00 0.00 0.00 54.91 54.50 1vre h ALA 24 Cb 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.72 1vre h ALA 24 CO 0.00 0.36 0.00 0.41 0.00 0.00 0.00 179.25 180.02 1vre n GLY 25 N 0.27 1.21 0.04 0.00 0.00 -1.26 -3.15 105.19 102.29 1vre n GLY 25 Ca -0.05 -0.36 -0.01 0.00 0.00 0.00 0.00 46.02 45.60 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 0.35 0.49 -0.09 1.61 0.31 -1.07 -4.25 118.33 115.68 1vre n VAL 26 Ca 0.11 -0.41 -0.16 0.00 -0.01 0.00 0.00 64.34 63.87 1vre n VAL 26 Cb 0.44 -0.34 -0.13 0.00 -0.91 0.00 0.00 33.84 32.89 1vre n VAL 26 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1vre n GLY 27 N 2.10 -0.60 0.21 2.92 0.00 -1.12 -2.90 105.19 105.80 1vre n GLY 27 Ca -0.12 -0.22 0.05 0.00 0.00 0.00 0.00 46.02 45.72 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 0.01 0.00 0.00 1.61 2.10 -1.68 0.92 116.57 119.53 1vre h LYS 28 Ca -0.52 0.00 -0.01 0.00 -2.00 0.00 0.00 60.65 58.12 1vre h LYS 28 Cb 2.02 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 33.34 1vre h LYS 28 CO -0.01 0.29 -1.41 -0.85 -2.00 0.00 0.00 179.45 175.47 1vre n GLU 29 N -4.06 0.63 -0.07 0.07 0.28 -1.26 -3.70 120.64 112.53 1vre n GLU 29 Ca -0.02 0.01 -0.04 0.00 -0.16 0.00 0.00 57.16 56.95 1vre n GLU 29 Cb 0.35 -1.71 -0.01 0.00 1.43 0.00 0.00 31.44 31.50 1vre n GLU 29 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1vre h PHE 31 N -1.00 0.01 0.43 0.00 -1.00 -1.05 -2.09 116.94 112.24 1vre h PHE 31 Ca -0.00 0.00 -0.01 0.00 2.81 0.00 0.00 57.97 60.77 1vre h PHE 31 Cb 0.42 -0.00 -0.02 0.00 3.61 0.00 0.00 35.95 39.96 1vre h PHE 31 CO -0.17 0.00 -0.44 1.79 -1.61 0.00 0.00 178.31 177.88 1vre h THR 32 N 0.01 0.12 -0.62 -1.55 1.35 -1.70 0.17 112.91 110.68 1vre h THR 32 Ca 0.26 0.00 0.09 0.00 -0.55 0.00 0.00 66.41 66.21 1vre h THR 32 Cb 1.05 0.12 -0.07 0.00 -1.73 0.00 0.00 68.15 67.52 1vre h THR 32 CO -0.01 0.00 0.26 0.11 -0.25 0.00 0.00 175.52 175.63 1vre h LYS 33 N -0.89 0.45 0.58 4.72 1.57 -1.51 0.11 116.57 121.59 1vre h LYS 33 Ca -0.04 -0.03 -0.02 0.00 -1.87 0.00 0.00 60.65 58.69 1vre h LYS 33 Cb 0.79 -0.10 -0.02 0.00 0.08 0.00 0.00 32.23 32.98 1vre h LYS 33 CO -0.07 0.30 -0.47 0.35 -0.57 0.00 0.00 179.45 178.99 1vre h PHE 34 N 0.46 -1.27 -0.80 -1.35 3.57 -1.18 0.66 116.94 117.04 1vre h PHE 34 Ca 0.31 0.00 0.15 0.00 3.53 0.00 0.00 57.97 61.96 1vre h PHE 34 Cb 0.36 0.48 -0.10 0.00 2.79 0.00 0.00 35.95 39.48 1vre h PHE 34 CO -0.15 -0.66 0.34 -0.07 -2.23 0.00 0.00 178.31 175.55 1vre h LEU 35 N -1.02 0.34 0.00 0.59 3.38 -0.21 1.00 115.31 119.39 1vre h LEU 35 Ca -0.07 0.11 0.00 0.00 0.09 0.00 0.00 57.88 58.01 1vre h LEU 35 Cb 0.86 0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.69 1vre h LEU 35 CO -0.00 0.12 0.00 -0.24 0.09 0.00 0.00 178.44 178.41 1vre n SER 36 N -4.98 0.00 -0.25 -0.43 2.88 -0.02 -3.29 113.62 107.54 1vre n SER 36 Ca 0.16 0.72 0.32 0.00 -1.33 0.00 0.00 58.87 58.73 1vre n SER 36 Cb 0.45 -0.44 0.74 0.00 -0.75 0.00 0.00 64.21 64.21 1vre n SER 36 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1vre h ALA 37 N -2.00 2.98 -3.67 -1.46 0.00 0.39 -3.31 119.26 112.20 1vre h ALA 37 Ca 0.00 -0.04 -0.67 0.00 0.00 0.00 0.00 54.91 54.20 1vre h ALA 37 Cb 0.00 0.08 -0.36 0.00 0.00 0.00 0.00 17.79 17.51 1vre h ALA 37 CO 0.00 -1.29 -0.74 -1.01 0.00 0.00 0.00 179.25 176.22 1vre s HIS 38 N -4.95 3.38 -0.13 0.00 3.76 0.34 -4.94 115.29 112.75 1vre s HIS 38 Ca -0.05 -2.31 0.16 0.00 -0.15 0.00 0.00 55.06 52.71 1vre s HIS 38 Cb 0.22 -2.26 -0.07 0.00 1.11 0.00 0.00 32.58 31.59 1vre s HIS 38 CO 0.78 -0.88 1.05 0.45 -0.85 0.00 0.00 174.74 175.29 1vre h HIS 39 N 7.83 0.00 0.00 1.40 -0.00 -1.65 -3.02 115.15 119.71 1vre h HIS 39 Ca -0.17 0.00 -0.01 0.00 -0.00 0.00 0.00 60.37 60.19 1vre h HIS 39 Cb 1.04 0.00 -0.00 0.00 -0.00 0.00 0.00 27.41 28.45 1vre h HIS 39 CO 0.59 0.54 -0.06 0.38 -0.00 0.00 0.00 177.93 179.39 1vre h ASP 40 N 0.00 0.00 0.31 2.45 3.04 -1.92 -2.58 116.42 117.72 1vre h ASP 40 Ca -0.10 0.00 -0.25 0.00 -3.24 0.00 0.00 57.03 53.44 1vre h ASP 40 Cb 1.50 0.00 -0.05 0.00 -1.04 0.00 0.00 39.33 39.75 1vre h ASP 40 CO 0.05 0.06 -1.91 0.23 -2.04 0.00 0.00 179.24 175.63 1vre n MET 41 N -3.26 0.65 -0.24 4.15 2.81 -1.23 -4.18 117.12 115.84 1vre n MET 41 Ca -0.01 0.10 0.03 0.00 -1.81 0.00 0.00 57.70 56.02 1vre n MET 41 Cb 0.26 -1.66 0.16 0.00 -0.71 0.00 0.00 33.22 31.26 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 1.24 0.95 -0.66 3.04 0.00 -1.33 0.24 119.26 122.74 1vre h ALA 42 Ca -0.32 0.11 -0.02 0.00 0.00 0.00 0.00 54.91 54.68 1vre h ALA 42 Cb 1.86 0.09 -0.03 0.00 0.00 0.00 0.00 17.79 19.71 1vre h ALA 42 CO 0.04 -0.21 0.32 0.00 0.00 0.00 0.00 179.25 179.40 1vre h ALA 43 N 1.51 1.32 0.85 0.00 0.00 -1.73 0.66 119.26 121.87 1vre h ALA 43 Ca 0.38 -0.13 -0.04 0.00 0.00 0.00 0.00 54.91 55.11 1vre h ALA 43 Cb 0.54 -0.27 0.01 0.00 0.00 0.00 0.00 17.79 18.08 1vre h ALA 43 CO -0.38 0.53 -0.41 0.28 0.00 0.00 0.00 179.25 179.27 1vre h VAL 44 N 0.93 0.00 -0.18 0.00 2.07 -0.76 -2.82 116.25 115.49 1vre h VAL 44 Ca 0.23 -0.14 -0.02 0.00 0.82 0.00 0.00 66.70 67.59 1vre h VAL 44 Cb 0.09 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 29.85 1vre h VAL 44 CO -0.03 0.00 0.04 -0.26 0.02 0.00 0.00 177.57 177.34 1vre h PHE 45 N -1.28 0.25 0.00 1.57 0.04 -0.99 -3.41 116.94 113.11 1vre h PHE 45 Ca -0.12 -0.01 0.00 0.00 2.80 0.00 0.00 57.97 60.65 1vre h PHE 45 Cb 0.87 -0.08 0.00 0.00 2.20 0.00 0.00 35.95 38.94 1vre h PHE 45 CO 0.00 0.23 0.00 0.41 -0.60 0.00 0.00 178.31 178.36 1vre n GLY 46 N -1.28 0.44 1.37 -1.45 0.00 0.23 -5.06 105.19 99.44 1vre n GLY 46 Ca -0.00 -1.72 0.17 0.00 0.00 0.00 0.00 46.02 44.47 1vre n GLY 46 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1vre n PHE 47 N 0.00 -3.64 -1.09 1.61 3.72 -1.26 -4.23 117.46 112.56 1vre n PHE 47 Ca 0.00 1.99 0.01 0.00 -0.05 0.00 0.00 57.45 59.40 1vre n PHE 47 Cb 0.00 -3.32 0.28 0.00 -0.94 0.00 0.00 39.48 35.50 1vre n PHE 47 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 1vre n SER 48 N -4.22 4.11 0.00 4.37 2.88 -1.26 -4.80 113.62 114.70 1vre n SER 48 Ca -0.08 -3.23 0.00 0.00 -1.33 0.00 0.00 58.87 54.23 1vre n SER 48 Cb 0.65 -0.65 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 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 -0.43 -0.46 0.09 0.46 0.00 -1.26 -4.95 105.19 98.64 1vre n GLY 49 Ca 0.31 -1.19 0.09 0.00 0.00 0.00 0.00 46.02 45.23 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 -0.08 2.43 -1.86 4.61 0.00 -1.26 -4.32 120.51 120.03 1vre n ALA 50 Ca 0.00 -0.38 -0.36 0.00 0.00 0.00 0.00 53.44 52.70 1vre n ALA 50 Cb 0.00 -0.98 -0.02 0.00 0.00 0.00 0.00 19.45 18.45 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 -2.64 7.54 -4.31 0.00 3.41 -1.26 -4.86 113.62 111.51 1vre n SER 51 Ca -0.04 -3.19 -0.31 0.00 -0.26 0.00 0.00 58.87 55.08 1vre n SER 51 Cb 0.63 -1.31 -0.16 0.00 -0.26 0.00 0.00 64.21 63.11 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 0.29 3.03 0.44 4.04 1.01 -1.26 -5.00 116.67 119.22 1vre s ASP 52 Ca 0.55 -0.47 0.12 0.00 0.71 0.00 0.00 52.55 53.46 1vre s ASP 52 Cb 0.25 -0.34 0.97 0.00 1.01 0.00 0.00 42.92 44.81 1vre s ASP 52 CO -0.14 0.32 2.02 -0.65 0.21 0.00 0.00 175.17 176.93 1vre h PRO 53 N 5.49 0.20 -0.96 8.23 0.11 -1.97 -2.15 132.00 140.94 1vre h PRO 53 Ca -0.43 -0.03 0.20 0.00 0.11 0.00 0.00 66.00 65.86 1vre h PRO 53 Cb 1.12 -0.04 -0.09 0.00 0.11 0.00 0.00 31.00 32.11 1vre h PRO 53 CO 0.47 0.24 0.61 0.78 -0.21 0.00 0.00 178.00 179.89 1vre h GLY 54 N 0.46 1.30 0.03 -0.55 0.00 -1.98 0.25 103.07 102.58 1vre h GLY 54 Ca 0.05 -0.27 0.23 0.00 0.00 0.00 0.00 47.33 47.34 1vre h GLY 54 CO 0.00 -0.03 0.63 -2.08 0.00 0.00 0.00 176.54 175.06 1vre h VAL 55 N 0.57 0.61 0.00 4.60 2.07 -1.75 1.13 116.25 123.48 1vre h VAL 55 Ca 0.53 -0.18 -0.02 0.00 0.82 0.00 0.00 66.70 67.84 1vre h VAL 55 Cb 1.08 0.04 -0.00 0.00 -1.52 0.00 0.00 31.29 30.88 1vre h VAL 55 CO -0.27 0.10 -0.12 0.00 0.02 0.00 0.00 177.57 177.30 1vre h ALA 56 N 1.64 0.96 0.24 1.67 0.00 -0.68 -1.92 119.26 121.17 1vre h ALA 56 Ca 0.57 -0.10 -0.34 0.00 0.00 0.00 0.00 54.91 55.03 1vre h ALA 56 Cb 1.23 -0.02 0.03 0.00 0.00 0.00 0.00 17.79 19.04 1vre h ALA 56 CO -0.31 0.14 -1.56 0.22 0.00 0.00 0.00 179.25 177.74 1vre h ASP 57 N 0.00 0.80 0.25 0.00 1.82 0.13 -2.74 116.42 116.67 1vre h ASP 57 Ca -0.00 -0.93 -0.01 0.00 -0.39 0.00 0.00 57.03 55.70 1vre h ASP 57 Cb 0.87 -0.26 0.00 0.00 0.68 0.00 0.00 39.33 40.62 1vre h ASP 57 CO 0.01 1.74 -0.12 -0.07 -1.61 0.00 0.00 179.24 179.19 1vre h LEU 58 N 0.14 -0.28 -0.56 2.28 3.38 -0.83 -1.34 115.31 118.09 1vre h LEU 58 Ca -0.28 -0.02 0.11 0.00 0.09 0.00 0.00 57.88 57.78 1vre h LEU 58 Cb 2.16 0.07 -0.09 0.00 0.09 0.00 0.00 40.66 42.89 1vre h LEU 58 CO 0.25 0.19 -0.01 1.23 0.09 0.00 0.00 178.44 180.19 1vre h GLY 59 N -1.08 0.57 0.96 0.83 0.00 -1.53 0.66 103.07 103.48 1vre h GLY 59 Ca -0.03 0.08 0.01 0.00 0.00 0.00 0.00 47.33 47.38 1vre h GLY 59 CO 0.06 -0.17 0.10 0.00 0.00 0.00 0.00 176.54 176.53 1vre h ALA 60 N 1.50 0.22 -0.27 3.60 0.00 -1.58 0.59 119.26 123.32 1vre h ALA 60 Ca 0.28 -0.00 -0.03 0.00 0.00 0.00 0.00 54.91 55.16 1vre h ALA 60 Cb 0.44 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 1vre h ALA 60 CO -0.48 -0.32 0.02 0.87 0.00 0.00 0.00 179.25 179.34 1vre h LYS 61 N 0.21 0.39 -0.00 0.00 1.57 0.07 -2.46 116.57 116.35 1vre h LYS 61 Ca 0.07 -0.07 -0.01 0.00 -1.87 0.00 0.00 60.65 58.77 1vre h LYS 61 Cb -0.00 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 32.24 1vre h LYS 61 CO -0.03 0.41 -0.05 0.28 -0.57 0.00 0.00 179.45 179.49 1vre h VAL 62 N 0.39 1.59 -0.73 0.50 2.07 0.11 -3.27 116.25 116.91 1vre h VAL 62 Ca 0.09 -1.79 0.16 0.00 0.82 0.00 0.00 66.70 65.98 1vre h VAL 62 Cb 0.23 2.78 -0.11 0.00 -1.52 0.00 0.00 31.29 32.67 1vre h VAL 62 CO 0.00 0.47 0.14 -0.07 0.02 0.00 0.00 177.57 178.13 1vre h LEU 63 N -0.69 -0.07 -0.62 2.57 -0.00 0.34 0.40 115.31 117.23 1vre h LEU 63 Ca -0.01 0.16 0.13 0.00 -0.00 0.00 0.00 57.88 58.16 1vre h LEU 63 Cb 0.80 0.23 -0.11 0.00 -0.00 0.00 0.00 40.66 41.57 1vre h LEU 63 CO 0.01 -0.07 -0.10 0.00 -0.00 0.00 0.00 178.44 178.28 1vre h ALA 64 N 1.63 0.49 -0.20 1.53 0.00 -1.49 0.28 119.26 121.49 1vre h ALA 64 Ca 0.41 0.22 0.05 0.00 0.00 0.00 0.00 54.91 55.60 1vre h ALA 64 Cb 0.71 0.42 -0.06 0.00 0.00 0.00 0.00 17.79 18.87 1vre h ALA 64 CO -0.54 -0.42 -0.15 0.37 0.00 0.00 0.00 179.25 178.51 1vre h GLN 65 N 0.04 -0.14 -0.98 0.00 5.75 -0.98 0.44 115.11 119.24 1vre h GLN 65 Ca 0.31 0.01 0.14 0.00 -0.15 0.00 0.00 58.65 58.96 1vre h GLN 65 Cb 0.49 0.03 -0.08 0.00 1.07 0.00 0.00 27.48 28.99 1vre h GLN 65 CO -0.60 -0.10 0.62 0.82 -2.65 0.00 0.00 178.83 176.92 1vre h ILE 66 N -0.15 0.86 0.42 2.39 2.04 -0.78 0.10 117.51 122.40 1vre h ILE 66 Ca 0.12 -0.30 -0.02 0.00 1.00 0.00 0.00 64.86 65.66 1vre h ILE 66 Cb 0.33 -0.09 0.00 0.00 -0.74 0.00 0.00 36.82 36.32 1vre h ILE 66 CO -0.29 0.16 -0.23 1.23 0.00 0.00 0.00 178.15 179.02 1vre h GLY 67 N 0.88 -0.63 2.00 5.37 0.00 0.61 0.20 103.07 111.50 1vre h GLY 67 Ca 0.50 0.25 -0.00 0.00 0.00 0.00 0.00 47.33 48.07 1vre h GLY 67 CO -0.27 -0.23 -0.01 -2.08 0.00 0.00 0.00 176.54 173.95 1vre h VAL 68 N -0.60 1.00 -0.00 4.60 2.07 -0.27 0.13 116.25 123.18 1vre h VAL 68 Ca -0.05 -0.03 0.00 0.00 0.82 0.00 0.00 66.70 67.43 1vre h VAL 68 Cb 0.48 1.02 0.00 0.00 -1.52 0.00 0.00 31.29 31.26 1vre h VAL 68 CO 0.08 0.01 -0.10 0.00 0.02 0.00 0.00 177.57 177.58 1vre n ALA 69 N -2.54 2.71 0.43 1.67 0.00 0.26 -3.38 120.51 119.66 1vre n ALA 69 Ca -0.03 -0.23 0.12 0.00 0.00 0.00 0.00 53.44 53.29 1vre n ALA 69 Cb 0.10 -1.37 0.08 0.00 0.00 0.00 0.00 19.45 18.26 1vre n ALA 69 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1vre n VAL 70 N -1.09 0.38 0.59 0.00 0.31 0.61 -3.76 118.33 115.37 1vre n VAL 70 Ca 0.13 -0.35 0.03 0.00 -0.01 0.00 0.00 64.34 64.15 1vre n VAL 70 Cb 0.28 -0.10 0.14 0.00 -0.91 0.00 0.00 33.84 33.25 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 -2.24 2.29 0.00 4.52 2.88 -1.18 -4.34 113.62 115.56 1vre n SER 71 Ca 0.02 -2.22 0.00 0.00 -1.33 0.00 0.00 58.87 55.34 1vre n SER 71 Cb 0.47 -0.43 0.00 0.00 -0.75 0.00 0.00 64.21 63.50 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 0.25 0.00 -3.29 0.66 8.25 -1.25 -4.98 115.22 114.86 1vre n HIS 72 Ca 0.10 0.00 -0.20 0.00 -0.26 0.00 0.00 57.72 57.36 1vre n HIS 72 Cb 0.47 0.00 -0.02 0.00 1.12 0.00 0.00 29.99 31.56 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 -0.34 -0.97 0.00 2.41 4.77 -1.25 -4.28 117.00 117.35 1vre n LEU 73 Ca 0.00 -0.27 0.00 0.00 -0.03 0.00 0.00 56.01 55.71 1vre n LEU 73 Cb 0.00 -1.73 0.00 0.00 -2.33 0.00 0.00 43.42 39.36 1vre n LEU 73 CO 0.00 0.08 0.00 0.61 -1.33 0.00 0.00 177.39 176.75 1vre n GLY 74 N -0.94 -0.37 1.97 -0.72 0.00 -1.26 -3.67 105.19 100.20 1vre n GLY 74 Ca 0.00 0.02 -0.13 0.00 0.00 0.00 0.00 46.02 45.92 1vre n GLY 74 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1vre n ASP 75 N -2.11 1.75 -0.04 1.61 8.00 -1.26 -4.69 116.55 119.81 1vre n ASP 75 Ca 0.00 -1.94 -0.16 0.00 0.71 0.00 0.00 54.79 53.40 1vre n ASP 75 Cb 0.00 -0.06 -0.08 0.00 -0.02 0.00 0.00 41.12 40.96 1vre n ASP 75 CO 0.00 0.00 0.00 -0.33 -0.39 0.00 0.00 177.20 176.48 1vre h GLU 76 N 0.00 0.58 -3.50 -1.24 5.08 -2.01 -3.46 114.58 110.03 1vre h GLU 76 Ca -0.17 -0.45 -0.10 0.00 -1.00 0.00 0.00 59.36 57.64 1vre h GLU 76 Cb 0.65 0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.97 1vre h GLU 76 CO 0.27 1.07 -0.12 0.41 -1.00 0.00 0.00 179.01 179.64 1vre n GLY 77 N 0.64 -0.14 1.86 -3.84 0.00 -1.26 0.05 105.19 102.50 1vre n GLY 77 Ca -0.07 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.84 1vre n GLY 77 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1vre n LYS 78 N -2.16 -1.30 -0.03 1.61 4.81 -1.26 -4.72 118.16 115.12 1vre n LYS 78 Ca -0.06 0.63 -0.05 0.00 -0.87 0.00 0.00 58.31 57.96 1vre n LYS 78 Cb 0.41 -4.85 -0.14 0.00 0.02 0.00 0.00 35.03 30.47 1vre n LYS 78 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1vre n MET 79 N -1.77 0.65 0.20 1.64 0.00 0.11 -3.42 117.12 114.54 1vre n MET 79 Ca -0.11 0.13 0.09 0.00 0.00 0.00 0.00 57.70 57.82 1vre n MET 79 Cb 0.37 -1.68 0.29 0.00 0.00 0.00 0.00 33.22 32.20 1vre n MET 79 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 175.97 176.25 1vre h VAL 80 N 0.00 0.45 0.00 3.17 2.07 -1.84 -0.32 116.25 119.78 1vre h VAL 80 Ca -0.32 -1.34 -0.06 0.00 0.82 0.00 0.00 66.70 65.79 1vre h VAL 80 Cb 1.91 1.98 -0.01 0.00 -1.52 0.00 0.00 31.29 33.66 1vre h VAL 80 CO 0.05 0.22 -0.80 0.00 0.02 0.00 0.00 177.57 177.07 1vre h ALA 81 N 1.77 0.67 0.09 1.67 0.00 -1.87 -3.05 119.26 118.54 1vre h ALA 81 Ca -0.00 -0.27 -0.35 0.00 0.00 0.00 0.00 54.91 54.28 1vre h ALA 81 Cb 0.97 0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.78 1vre h ALA 81 CO 0.03 0.32 -1.97 0.39 0.00 0.00 0.00 179.25 178.02 1vre n GLU 82 N -2.91 0.72 0.06 0.00 1.02 -1.12 -3.25 120.64 115.15 1vre n GLU 82 Ca -0.01 0.26 -0.13 0.00 -0.02 0.00 0.00 57.16 57.26 1vre n GLU 82 Cb 0.64 -1.71 -0.09 0.00 -0.02 0.00 0.00 31.44 30.26 1vre n GLU 82 CO 0.00 0.00 0.00 0.52 1.18 0.00 0.00 177.13 178.83 1vre h MET 83 N 0.05 -0.15 -0.33 3.49 2.86 -1.19 -1.33 114.93 118.34 1vre h MET 83 Ca -0.40 0.01 0.06 0.00 -2.06 0.00 0.00 59.70 57.31 1vre h MET 83 Cb 2.03 0.03 -0.02 0.00 0.06 0.00 0.00 31.60 33.71 1vre h MET 83 CO 0.08 0.19 0.23 -0.22 1.06 0.00 0.00 176.91 178.24 1vre h LYS 84 N -0.51 0.16 -0.40 1.72 3.64 -1.15 -0.56 116.57 119.47 1vre h LYS 84 Ca -0.02 -0.01 -0.09 0.00 -1.27 0.00 0.00 60.65 59.27 1vre h LYS 84 Cb 0.41 -0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 32.18 1vre h LYS 84 CO 0.03 0.10 -0.09 0.00 -2.27 0.00 0.00 179.45 177.22 1vre h ALA 85 N 1.83 0.55 -0.68 5.00 0.00 -1.45 -2.48 119.26 122.04 1vre h ALA 85 Ca 0.15 -0.31 0.10 0.00 0.00 0.00 0.00 54.91 54.85 1vre h ALA 85 Cb 0.38 -0.14 -0.08 0.00 0.00 0.00 0.00 17.79 17.95 1vre h ALA 85 CO -0.02 0.42 0.30 0.28 0.00 0.00 0.00 179.25 180.23 1vre h VAL 86 N 0.59 0.79 0.09 0.00 2.07 0.06 0.14 116.25 119.98 1vre h VAL 86 Ca 0.10 -0.17 0.00 0.00 0.82 0.00 0.00 66.70 67.45 1vre h VAL 86 Cb 0.61 0.23 -0.01 0.00 -1.52 0.00 0.00 31.29 30.61 1vre h VAL 86 CO 0.04 0.09 -0.08 1.23 0.02 0.00 0.00 177.57 178.87 1vre h GLY 87 N 0.51 -0.17 1.77 2.17 0.00 -1.25 1.11 103.07 107.20 1vre h GLY 87 Ca 0.35 0.09 0.02 0.00 0.00 0.00 0.00 47.33 47.79 1vre h GLY 87 CO -0.30 -0.09 0.10 -2.08 0.00 0.00 0.00 176.54 174.17 1vre h VAL 88 N -0.19 0.28 0.00 4.60 2.07 0.10 -1.99 116.25 121.13 1vre h VAL 88 Ca 0.00 0.00 -0.16 0.00 0.82 0.00 0.00 66.70 67.37 1vre h VAL 88 Cb 0.18 0.91 -0.02 0.00 -1.52 0.00 0.00 31.29 30.84 1vre h VAL 88 CO -0.02 0.00 -0.85 0.03 0.02 0.00 0.00 177.57 176.75 1vre h ARG 89 N 0.00 0.00 -0.81 1.57 2.47 0.15 -3.35 114.38 114.41 1vre h ARG 89 Ca 0.03 0.00 0.19 0.00 -1.26 0.00 0.00 59.98 58.93 1vre h ARG 89 Cb 0.23 0.00 -0.12 0.00 -1.65 0.00 0.00 29.97 28.43 1vre h ARG 89 CO -0.00 0.99 0.26 0.45 0.56 0.00 0.00 179.97 182.23 1vre h HIS 90 N -1.00 0.41 0.00 3.04 3.86 0.17 1.17 115.15 122.81 1vre h HIS 90 Ca -0.23 0.04 0.00 0.00 -1.16 0.00 0.00 60.37 59.02 1vre h HIS 90 Cb 1.20 -0.06 0.00 0.00 1.06 0.00 0.00 27.41 29.61 1vre h HIS 90 CO 0.16 -0.08 0.05 1.57 0.86 0.00 0.00 177.93 180.48 1vre h LYS 91 N 0.31 0.00 -0.71 2.45 5.09 -1.53 -0.93 116.57 121.26 1vre h LYS 91 Ca 0.48 0.00 -0.49 0.00 0.09 0.00 0.00 60.65 60.73 1vre h LYS 91 Cb 0.87 0.00 -0.33 0.00 0.10 0.00 0.00 32.23 32.87 1vre h LYS 91 CO -0.53 0.00 -0.30 0.41 -2.09 0.00 0.00 179.45 176.94 1vre n GLY 92 N -1.18 5.98 0.00 0.07 0.00 0.40 -4.78 105.19 105.69 1vre n GLY 92 Ca -0.02 -2.28 0.00 0.00 0.00 0.00 0.00 46.02 43.71 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 -0.85 -1.99 0.07 1.61 4.02 -0.35 -5.01 117.16 114.66 1vre n TYR 93 Ca 0.45 0.00 -0.14 0.00 -0.01 0.00 0.00 57.90 58.21 1vre n TYR 93 Cb 0.90 0.00 -0.14 0.00 -0.02 0.00 0.00 39.34 40.08 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 0.21 0.54 2.72 0.00 -1.94 -3.36 103.07 101.25 1vre h GLY 94 Ca 0.00 -0.54 -0.02 0.00 0.00 0.00 0.00 47.33 46.76 1vre h GLY 94 CO 0.00 0.48 -0.23 -0.57 0.00 0.00 0.00 176.54 176.21 1vre h ASN 95 N 0.05 -0.55 0.00 0.19 -1.24 -1.90 -3.46 115.58 108.66 1vre h ASN 95 Ca -0.16 -0.03 0.00 0.00 0.71 0.00 0.00 56.30 56.82 1vre h ASN 95 Cb 1.95 0.14 0.00 0.00 0.73 0.00 0.00 38.32 41.14 1vre h ASN 95 CO 0.16 -0.14 0.00 1.17 -1.29 0.00 0.00 177.43 177.34 1vre n LYS 96 N -5.22 0.00 -1.44 6.67 0.00 -1.26 -4.82 118.16 112.10 1vre n LYS 96 Ca -0.09 0.00 -0.36 0.00 0.00 0.00 0.00 58.31 57.86 1vre n LYS 96 Cb 0.28 -1.84 0.07 0.00 0.00 0.00 0.00 35.03 33.55 1vre n LYS 96 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.40 178.12 1vre n HIS 97 N -1.94 3.15 -2.38 5.64 8.25 -1.26 -4.99 115.22 121.69 1vre n HIS 97 Ca 0.00 -2.88 -0.33 0.00 -0.26 0.00 0.00 57.72 54.25 1vre n HIS 97 Cb 0.00 -1.40 -0.02 0.00 1.12 0.00 0.00 29.99 29.69 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 -4.82 3.98 -0.03 1.59 1.01 -1.26 -5.01 121.20 116.65 1vre s ILE 98 Ca 0.62 1.08 -0.03 0.00 0.00 0.00 0.00 60.65 62.32 1vre s ILE 98 Cb 0.49 -3.49 0.01 0.00 0.01 0.00 0.00 42.46 39.49 1vre s ILE 98 CO -0.09 -0.41 0.08 -0.54 0.00 0.00 0.00 174.94 173.98 1vre s LYS 99 N -3.66 0.09 0.00 2.79 1.02 -1.26 -4.88 119.74 113.84 1vre s LYS 99 Ca 0.64 0.13 0.23 0.00 0.02 0.00 0.00 55.97 56.99 1vre s LYS 99 Cb -0.14 0.02 1.12 0.00 -0.52 0.00 0.00 37.83 38.30 1vre s LYS 99 CO 0.27 -0.03 1.75 0.00 -0.92 0.00 0.00 175.35 176.42 1vre n ALA 100 N 3.17 2.15 0.16 5.17 0.00 -1.26 -2.81 120.51 127.10 1vre n ALA 100 Ca -0.14 -0.10 0.03 0.00 0.00 0.00 0.00 53.44 53.23 1vre n ALA 100 Cb 0.59 -1.37 0.23 0.00 0.00 0.00 0.00 19.45 18.89 1vre n ALA 100 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.50 178.55 1vre h GLU 101 N 0.00 0.00 0.00 0.00 4.11 -2.03 -2.95 114.58 113.72 1vre h GLU 101 Ca 0.00 0.00 -0.03 0.00 0.07 0.00 0.00 59.36 59.40 1vre h GLU 101 Cb 0.26 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.51 1vre h GLU 101 CO 0.00 0.47 -0.28 1.88 0.07 0.00 0.00 179.01 181.15 1vre h TYR 102 N 0.00 0.00 0.42 2.06 0.05 -1.96 -3.35 116.97 114.19 1vre h TYR 102 Ca -0.00 0.00 -0.01 0.00 0.05 0.00 0.00 58.73 58.76 1vre h TYR 102 Cb 1.07 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.79 1vre h TYR 102 CO 0.00 0.12 -0.36 0.74 -1.05 0.00 0.00 178.16 177.62 1vre h PHE 103 N 0.00 -0.98 -0.20 4.88 -1.00 -1.64 0.12 116.94 118.12 1vre h PHE 103 Ca -0.01 0.00 0.05 0.00 2.81 0.00 0.00 57.97 60.82 1vre h PHE 103 Cb 1.10 0.37 -0.07 0.00 3.61 0.00 0.00 35.95 40.96 1vre h PHE 103 CO 0.00 -0.49 -0.46 0.93 -1.61 0.00 0.00 178.31 176.68 1vre h GLU 104 N -0.76 -0.46 -0.02 1.51 5.08 -1.71 0.63 114.58 118.85 1vre h GLU 104 Ca -0.05 0.03 0.02 0.00 -1.00 0.00 0.00 59.36 58.35 1vre h GLU 104 Cb 0.64 0.10 -0.04 0.00 0.50 0.00 0.00 28.75 29.96 1vre h GLU 104 CO -0.01 -0.31 -0.37 -1.35 -1.00 0.00 0.00 179.01 175.97 1vre h PRO 105 N -0.48 -0.43 -0.24 2.33 0.11 -1.67 1.41 132.00 133.03 1vre h PRO 105 Ca 0.08 0.03 0.07 0.00 0.11 0.00 0.00 66.00 66.29 1vre h PRO 105 Cb 0.63 0.10 -0.01 0.00 0.11 0.00 0.00 31.00 31.83 1vre h PRO 105 CO -0.45 -0.29 0.30 1.25 -0.21 0.00 0.00 178.00 178.60 1vre h LEU 106 N -0.45 0.00 0.03 2.35 7.12 -0.35 0.12 115.31 124.14 1vre h LEU 106 Ca 0.01 0.00 -0.07 0.00 0.13 0.00 0.00 57.88 57.95 1vre h LEU 106 Cb 0.49 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 40.62 1vre h LEU 106 CO -0.26 0.00 -0.32 1.23 -0.13 0.00 0.00 178.44 178.96 1vre h GLY 107 N 0.00 0.08 0.96 3.75 0.00 0.40 -2.92 103.07 105.34 1vre h GLY 107 Ca 0.11 -0.19 -0.03 0.00 0.00 0.00 0.00 47.33 47.22 1vre h GLY 107 CO -0.00 0.17 0.17 0.00 0.00 0.00 0.00 176.54 176.88 1vre h ALA 108 N -0.03 0.63 0.00 3.60 0.00 0.27 -1.56 119.26 122.16 1vre h ALA 108 Ca -0.07 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.68 1vre h ALA 108 Cb 1.18 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.78 1vre h ALA 108 CO 0.01 0.26 0.00 0.77 0.00 0.00 0.00 179.25 180.29 1vre h SER 109 N 0.64 0.00 -0.03 0.00 0.02 -0.93 -2.37 113.55 110.88 1vre h SER 109 Ca 0.16 0.00 -0.22 0.00 -0.84 0.00 0.00 61.79 60.89 1vre h SER 109 Cb 0.23 0.00 0.01 0.00 0.14 0.00 0.00 62.40 62.78 1vre h SER 109 CO -0.01 0.00 -0.81 0.25 -1.14 0.00 0.00 176.83 175.12 1vre h LEU 110 N 0.00 0.84 -1.39 5.07 6.46 -1.08 -3.11 115.31 122.09 1vre h LEU 110 Ca 0.00 -0.57 -0.00 0.00 -0.12 0.00 0.00 57.88 57.19 1vre h LEU 110 Cb 0.26 -0.25 -0.03 0.00 -0.73 0.00 0.00 40.66 39.91 1vre h LEU 110 CO 0.00 1.36 0.34 -0.07 -0.62 0.00 0.00 178.44 179.45 1vre h LEU 111 N 0.46 0.66 -1.18 2.25 3.38 -1.25 0.65 115.31 120.28 1vre h LEU 111 Ca -0.06 -0.03 -0.06 0.00 0.09 0.00 0.00 57.88 57.82 1vre h LEU 111 Cb 1.44 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 42.00 1vre h LEU 111 CO 0.16 0.51 -0.11 -1.28 0.09 0.00 0.00 178.44 177.80 1vre h SER 112 N 0.77 0.41 0.59 -0.43 0.87 -1.56 -2.84 113.55 111.37 1vre h SER 112 Ca 0.20 -0.10 -0.28 0.00 -1.23 0.00 0.00 61.79 60.38 1vre h SER 112 Cb -0.04 -0.11 0.00 0.00 -0.44 0.00 0.00 62.40 61.82 1vre h SER 112 CO -0.04 0.57 -1.32 0.00 -0.53 0.00 0.00 176.83 175.51 1vre h ALA 113 N 1.48 0.14 -0.47 6.23 0.00 -1.21 -3.25 119.26 122.18 1vre h ALA 113 Ca 0.08 -0.95 0.14 0.00 0.00 0.00 0.00 54.91 54.18 1vre h ALA 113 Cb 0.45 0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.30 1vre h ALA 113 CO 0.03 1.02 0.37 0.52 0.00 0.00 0.00 179.25 181.18 1vre h MET 114 N 0.07 0.00 0.00 0.00 2.07 -0.67 0.61 114.93 117.00 1vre h MET 114 Ca -0.16 0.00 0.00 0.00 -2.07 0.00 0.00 59.70 57.47 1vre h MET 114 Cb 1.98 0.00 0.00 0.00 -1.87 0.00 0.00 31.60 31.71 1vre h MET 114 CO 0.19 0.00 0.00 -1.91 1.07 0.00 0.00 176.91 176.26 1vre n GLU 115 N -4.21 0.16 -0.11 1.72 2.13 -1.17 -2.76 120.64 116.39 1vre n GLU 115 Ca 0.08 0.43 -0.11 0.00 0.66 0.00 0.00 57.16 58.22 1vre n GLU 115 Cb 0.57 -1.82 -0.03 0.00 0.27 0.00 0.00 31.44 30.43 1vre n GLU 115 CO 0.00 0.00 0.00 0.45 -0.41 0.00 0.00 177.13 177.17 1vre h HIS 116 N 0.00 0.58 -0.02 4.31 3.86 0.05 0.86 115.15 124.79 1vre h HIS 116 Ca 0.00 -0.09 -0.05 0.00 -1.16 0.00 0.00 60.37 59.07 1vre h HIS 116 Cb 0.29 -0.16 0.00 0.00 1.06 0.00 0.00 27.41 28.61 1vre h HIS 116 CO 0.00 0.63 -0.18 -0.09 0.86 0.00 0.00 177.93 179.15 1vre h ARG 117 N 0.35 0.16 -1.97 2.45 1.12 -1.66 -3.35 114.38 111.49 1vre h ARG 117 Ca 0.09 -0.14 -0.65 0.00 -1.11 0.00 0.00 59.98 58.17 1vre h ARG 117 Cb 0.38 0.04 -0.38 0.00 -0.01 0.00 0.00 29.97 30.00 1vre h ARG 117 CO 0.01 0.84 -0.19 0.44 -3.11 0.00 0.00 179.97 177.96 1vre n ILE 118 N -4.57 3.34 0.30 1.20 -5.35 -1.17 -4.77 119.36 108.34 1vre n ILE 118 Ca -0.09 -5.23 0.17 0.00 -0.27 0.00 0.00 62.75 57.33 1vre n ILE 118 Cb 0.45 -1.35 0.77 0.00 -1.74 0.00 0.00 39.64 37.77 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 3.01 0.00 0.24 3.28 0.00 0.62 1.10 103.07 111.33 1vre h GLY 119 Ca 0.31 0.00 -0.22 0.00 0.00 0.00 0.00 47.33 47.42 1vre h GLY 119 CO 0.97 0.00 -2.06 0.61 0.00 0.00 0.00 176.54 176.06 1vre n GLY 120 N -0.43 -1.04 0.07 4.60 0.00 -1.26 -4.34 105.19 102.79 1vre n GLY 120 Ca -0.00 -0.33 -0.00 0.00 0.00 0.00 0.00 46.02 45.68 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 -2.65 0.65 -1.78 1.61 4.76 -0.91 -4.83 118.16 115.01 1vre n LYS 121 Ca -0.20 0.03 -0.40 0.00 -2.87 0.00 0.00 58.31 54.87 1vre n LYS 121 Cb 0.93 -1.63 -0.03 0.00 -1.84 0.00 0.00 35.03 32.45 1vre n LYS 121 CO 0.00 0.00 0.00 1.41 -1.37 0.00 0.00 177.40 177.44 1vre s MET 122 N -2.96 2.75 0.06 1.97 1.75 0.38 -4.94 119.30 118.31 1vre s MET 122 Ca -0.07 1.37 0.01 0.00 -1.25 0.00 0.00 55.69 55.75 1vre s MET 122 Cb 0.09 -4.40 0.01 0.00 2.84 0.00 0.00 34.83 33.37 1vre s MET 122 CO 0.84 -2.55 0.06 0.27 -0.65 0.00 0.00 175.02 172.99 1vre n ASN 123 N 12.90 0.84 0.25 1.11 6.94 -1.26 -4.92 115.26 131.12 1vre n ASN 123 Ca 0.28 -1.20 -0.15 0.00 -0.02 0.00 0.00 54.58 53.49 1vre n ASN 123 Cb 0.50 -0.02 -0.08 0.00 -2.36 0.00 0.00 39.78 37.82 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 0.64 -0.62 -0.38 -2.53 0.00 -1.99 -1.85 119.26 112.53 1vre h ALA 124 Ca -0.04 -0.17 0.11 0.00 0.00 0.00 0.00 54.91 54.81 1vre h ALA 124 Cb 0.14 0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.15 1vre h ALA 124 CO 0.05 -0.77 0.37 0.00 0.00 0.00 0.00 179.25 178.90 1vre h ALA 125 N -0.30 2.11 0.20 0.00 0.00 -1.96 0.60 119.26 119.92 1vre h ALA 125 Ca -0.06 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.82 1vre h ALA 125 Cb 0.54 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.36 1vre h ALA 125 CO 0.10 -0.57 -0.10 0.00 0.00 0.00 0.00 179.25 178.69 1vre h ALA 126 N 1.61 -0.27 0.00 0.00 0.00 -1.73 0.46 119.26 119.33 1vre h ALA 126 Ca 0.18 -0.21 -0.05 0.00 0.00 0.00 0.00 54.91 54.82 1vre h ALA 126 Cb 0.92 0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.81 1vre h ALA 126 CO -0.00 -0.36 -0.26 1.57 0.00 0.00 0.00 179.25 180.19 1vre h LYS 127 N -0.84 0.00 0.11 0.00 2.10 -0.51 -1.28 116.57 116.15 1vre h LYS 127 Ca -0.03 0.00 -0.28 0.00 -2.00 0.00 0.00 60.65 58.34 1vre h LYS 127 Cb 0.52 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 31.84 1vre h LYS 127 CO 0.05 0.26 -1.33 0.22 -2.00 0.00 0.00 179.45 176.65 1vre h ASP 128 N 0.00 0.36 -0.15 7.07 1.82 0.19 -1.79 116.42 123.93 1vre h ASP 128 Ca -0.00 -0.42 -0.19 0.00 -0.39 0.00 0.00 57.03 56.03 1vre h ASP 128 Cb 0.70 -0.12 0.01 0.00 0.68 0.00 0.00 39.33 40.60 1vre h ASP 128 CO 0.03 1.34 -0.65 0.00 -1.61 0.00 0.00 179.24 178.36 1vre h ALA 129 N 0.61 0.28 0.00 -0.78 0.00 0.15 -2.70 119.26 116.81 1vre h ALA 129 Ca -0.16 -0.55 -0.07 0.00 0.00 0.00 0.00 54.91 54.12 1vre h ALA 129 Cb 1.97 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 19.73 1vre h ALA 129 CO 0.18 0.56 -0.34 -1.49 0.00 0.00 0.00 179.25 178.16 1vre h TRP 130 N 0.38 0.00 0.00 0.00 4.06 -1.34 -1.23 115.95 117.83 1vre h TRP 130 Ca -0.04 0.00 -0.12 0.00 2.06 0.00 0.00 58.89 60.79 1vre h TRP 130 Cb 1.28 0.00 -0.02 0.00 -1.00 0.00 0.00 29.16 29.42 1vre h TRP 130 CO 0.10 0.34 -0.56 0.00 -3.56 0.00 0.00 178.44 174.76 1vre h ALA 131 N 1.66 1.02 0.06 1.49 0.00 -1.24 -0.55 119.26 121.71 1vre h ALA 131 Ca -0.00 -0.51 -0.32 0.00 0.00 0.00 0.00 54.91 54.08 1vre h ALA 131 Cb 1.03 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.70 1vre h ALA 131 CO 0.04 0.70 -1.78 0.00 0.00 0.00 0.00 179.25 178.22 1vre h ALA 132 N 1.44 0.58 -0.22 0.00 0.00 -1.31 -3.35 119.26 116.41 1vre h ALA 132 Ca -0.01 -1.39 -0.11 0.00 0.00 0.00 0.00 54.91 53.40 1vre h ALA 132 Cb 1.02 0.53 -0.00 0.00 0.00 0.00 0.00 17.79 19.34 1vre h ALA 132 CO 0.07 1.43 -0.31 0.00 0.00 0.00 0.00 179.25 180.44 1vre h ALA 133 N 0.60 0.33 -0.71 0.00 0.00 -1.19 -2.81 119.26 115.48 1vre h ALA 133 Ca -0.32 -0.41 0.21 0.00 0.00 0.00 0.00 54.91 54.38 1vre h ALA 133 Cb 2.02 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 19.72 1vre h ALA 133 CO 0.09 0.36 0.55 1.88 0.00 0.00 0.00 179.25 182.14 1vre h TYR 134 N 0.28 0.00 -0.00 0.00 -1.99 -1.25 0.63 116.97 114.64 1vre h TYR 134 Ca 0.02 0.00 -0.18 0.00 2.00 0.00 0.00 58.73 60.58 1vre h TYR 134 Cb 0.89 0.00 -0.02 0.00 2.00 0.00 0.00 36.73 39.61 1vre h TYR 134 CO 0.08 0.00 -0.81 0.00 -0.00 0.00 0.00 178.16 177.44 1vre h ALA 135 N 1.56 0.65 0.22 3.88 0.00 -1.63 -2.03 119.26 121.90 1vre h ALA 135 Ca 0.34 -0.71 -0.34 0.00 0.00 0.00 0.00 54.91 54.20 1vre h ALA 135 Cb 1.44 -0.10 0.03 0.00 0.00 0.00 0.00 17.79 19.15 1vre h ALA 135 CO -0.00 0.94 -1.58 -0.44 0.00 0.00 0.00 179.25 178.17 1vre h ASP 136 N 0.05 0.74 0.52 0.00 5.19 0.16 -0.92 116.42 122.16 1vre h ASP 136 Ca -0.02 -0.90 -0.03 0.00 -0.62 0.00 0.00 57.03 55.47 1vre h ASP 136 Cb 1.42 -0.24 0.01 0.00 0.18 0.00 0.00 39.33 40.69 1vre h ASP 136 CO 0.11 1.73 -0.25 0.40 -3.12 0.00 0.00 179.24 178.11 1vre h ILE 137 N 0.13 0.31 0.00 0.35 2.04 -0.71 -1.48 117.51 118.15 1vre h ILE 137 Ca -0.29 -0.42 -0.06 0.00 1.00 0.00 0.00 64.86 65.08 1vre h ILE 137 Cb 2.14 0.43 -0.01 0.00 -0.74 0.00 0.00 36.82 38.64 1vre h ILE 137 CO 0.24 0.05 -0.31 0.77 0.00 0.00 0.00 178.15 178.90 1vre h SER 138 N -1.02 0.00 0.27 1.72 4.64 -1.53 -3.03 113.55 114.60 1vre h SER 138 Ca -0.07 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.23 1vre h SER 138 Cb 0.62 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.71 1vre h SER 138 CO 0.12 0.31 -0.13 1.23 -0.87 0.00 0.00 176.83 177.49 1vre h GLY 139 N 1.42 -0.38 2.00 -0.77 0.00 -1.07 -0.10 103.07 104.17 1vre h GLY 139 Ca -0.00 0.14 0.00 0.00 0.00 0.00 0.00 47.33 47.47 1vre h GLY 139 CO 0.04 -0.14 0.00 0.00 0.00 0.00 0.00 176.54 176.44 1vre h ALA 140 N 0.01 1.00 0.12 3.60 0.00 -1.21 -1.93 119.26 120.86 1vre h ALA 140 Ca -0.04 0.00 -0.36 0.00 0.00 0.00 0.00 54.91 54.51 1vre h ALA 140 Cb 0.45 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.22 1vre h ALA 140 CO 0.06 0.00 -1.96 1.25 0.00 0.00 0.00 179.25 178.61 1vre h LEU 141 N 0.00 0.40 -0.24 0.00 6.46 -1.30 -1.47 115.31 119.15 1vre h LEU 141 Ca 0.00 -0.88 0.00 0.00 -0.12 0.00 0.00 57.88 56.88 1vre h LEU 141 Cb 0.00 -0.13 0.00 0.00 -0.73 0.00 0.00 40.66 39.80 1vre h LEU 141 CO 0.00 1.79 0.00 -0.38 -0.62 0.00 0.00 178.44 179.23 1vre n ILE 142 N -3.46 1.27 0.37 4.05 5.41 -0.10 -2.53 119.36 124.37 1vre n ILE 142 Ca -0.30 0.37 -0.16 0.00 1.00 0.00 0.00 62.75 63.66 1vre n ILE 142 Cb 1.05 -1.24 -0.08 0.00 -0.71 0.00 0.00 39.64 38.66 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 -0.81 -0.04 4.38 0.02 -1.62 -2.84 113.55 112.64 1vre h SER 143 Ca 0.00 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.96 1vre h SER 143 Cb 0.17 0.21 0.00 0.00 0.14 0.00 0.00 62.40 62.92 1vre h SER 143 CO 0.00 -0.45 0.00 0.61 -1.14 0.00 0.00 176.83 175.85 1vre n GLY 144 N -0.79 -0.72 3.92 -3.77 0.00 -1.17 -4.84 105.19 97.82 1vre n GLY 144 Ca -0.12 -0.18 -0.27 0.00 0.00 0.00 0.00 46.02 45.44 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 -1.57 2.69 -0.70 0.99 2.96 -1.05 0.26 118.68 122.25 1vre s LEU 145 Ca 0.29 0.52 -0.03 0.00 -0.22 0.00 0.00 54.13 54.68 1vre s LEU 145 Cb 0.14 -3.02 0.00 0.00 0.50 0.00 0.00 46.19 43.81 1vre s LEU 145 CO 0.22 -1.87 0.68 0.00 -1.32 0.00 0.00 176.35 174.06 1vre n GLN 146 N -3.18 -1.51 0.00 1.98 3.00 -1.26 -4.85 117.38 111.55 1vre n GLN 146 Ca 0.09 1.53 0.00 0.00 -0.01 0.00 0.00 57.00 58.61 1vre n GLN 146 Cb 0.61 -5.38 0.00 0.00 0.00 0.00 0.00 30.24 25.46 1vre n GLN 146 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.06 177.49