#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 -0.56 0.00 0.99 4.77 -1.26 -5.03 117.00 115.90 1vre n LEU 2 Ca 0.00 1.27 0.00 0.00 -0.03 0.00 0.00 56.01 57.25 1vre n LEU 2 Cb 0.00 -3.52 0.00 0.00 -2.33 0.00 0.00 43.42 37.57 1vre n LEU 2 CO 0.00 -2.42 0.00 -1.54 -1.33 0.00 0.00 177.39 172.10 1vre n SER 3 N -4.30 0.00 -0.00 -1.43 3.41 -1.26 -4.97 113.62 105.06 1vre n SER 3 Ca -0.01 0.00 -0.11 0.00 -0.26 0.00 0.00 58.87 58.49 1vre n SER 3 Cb 0.62 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 h ALA 4 N 1.97 0.66 0.00 7.33 0.00 -1.97 -3.20 119.26 124.05 1vre h ALA 4 Ca 0.00 -1.39 0.00 0.00 0.00 0.00 0.00 54.91 53.52 1vre h ALA 4 Cb 0.00 0.45 0.00 0.00 0.00 0.00 0.00 17.79 18.24 1vre h ALA 4 CO 0.00 1.49 -1.17 0.00 0.00 0.00 0.00 179.25 179.57 1vre n ALA 5 N -2.61 3.15 -0.01 0.00 0.00 -1.26 -4.10 120.51 115.68 1vre n ALA 5 Ca -0.17 -0.39 -0.18 0.00 0.00 0.00 0.00 53.44 52.70 1vre n ALA 5 Cb 1.04 -0.96 -0.14 0.00 0.00 0.00 0.00 19.45 19.39 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 0.16 -0.60 0.00 4.20 -1.94 -3.15 115.11 113.78 1vre h GLN 6 Ca 0.00 -0.28 0.14 0.00 0.06 0.00 0.00 58.65 58.58 1vre h GLN 6 Cb 0.82 0.10 -0.03 0.00 0.30 0.00 0.00 27.48 28.67 1vre h GLN 6 CO 0.00 1.13 0.42 0.07 -0.67 0.00 0.00 178.83 179.78 1vre h ARG 7 N -0.64 0.16 -0.24 1.46 -0.00 -1.73 0.11 114.38 113.50 1vre h ARG 7 Ca -0.12 -0.01 -0.16 0.00 -0.00 0.00 0.00 59.98 59.69 1vre h ARG 7 Cb 1.39 -0.04 -0.01 0.00 -0.00 0.00 0.00 29.97 31.32 1vre h ARG 7 CO 0.06 0.11 -0.51 1.96 -0.00 0.00 0.00 179.97 181.59 1vre h GLN 8 N 0.17 0.68 0.00 0.08 1.08 -1.71 -2.41 115.11 112.99 1vre h GLN 8 Ca 0.29 -0.40 -0.09 0.00 -1.45 0.00 0.00 58.65 56.99 1vre h GLN 8 Cb 0.90 0.04 -0.01 0.00 -0.05 0.00 0.00 27.48 28.35 1vre h GLN 8 CO -0.05 1.02 -0.45 0.28 -0.95 0.00 0.00 178.83 178.69 1vre h VAL 9 N 0.53 1.24 -0.21 -0.54 2.07 -0.79 -1.81 116.25 116.74 1vre h VAL 9 Ca 0.02 -1.57 -0.11 0.00 0.82 0.00 0.00 66.70 65.86 1vre h VAL 9 Cb 1.06 1.86 -0.00 0.00 -1.52 0.00 0.00 31.29 32.70 1vre h VAL 9 CO 0.10 0.44 -0.30 0.58 0.02 0.00 0.00 177.57 178.40 1vre h VAL 10 N 0.00 1.33 0.00 2.57 2.07 -1.00 -1.53 116.25 119.69 1vre h VAL 10 Ca -0.00 -1.51 0.00 0.00 0.82 0.00 0.00 66.70 66.00 1vre h VAL 10 Cb 0.83 1.81 0.00 0.00 -1.52 0.00 0.00 31.29 32.41 1vre h VAL 10 CO 0.06 0.47 0.00 0.00 0.02 0.00 0.00 177.57 178.11 1vre n ALA 11 N -2.49 1.96 -0.01 1.67 0.00 -0.93 -2.21 120.51 118.50 1vre n ALA 11 Ca -0.05 -0.01 -0.04 0.00 0.00 0.00 0.00 53.44 53.33 1vre n ALA 11 Cb 0.48 -1.39 -0.12 0.00 0.00 0.00 0.00 19.45 18.41 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 -1.94 0.72 0.04 0.00 2.88 -0.69 -3.85 113.62 110.77 1vre n SER 12 Ca 0.04 0.33 0.12 0.00 -1.33 0.00 0.00 58.87 58.03 1vre n SER 12 Cb 0.29 0.26 0.13 0.00 -0.75 0.00 0.00 64.21 64.13 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 -2.91 0.22 0.56 2.46 -2.24 -0.60 -3.83 114.28 107.94 1vre n THR 13 Ca -0.15 -0.21 0.12 0.00 -2.27 0.00 0.00 64.05 61.53 1vre n THR 13 Cb 0.96 0.08 0.17 0.00 -2.10 0.00 0.00 70.33 69.43 1vre n THR 13 CO 0.00 0.00 0.00 -0.25 -0.57 0.00 0.00 175.07 174.25 1vre h TRP 14 N 0.00 0.00 -0.01 4.78 7.01 -1.58 -3.19 115.95 122.96 1vre h TRP 14 Ca 0.00 0.00 0.00 0.00 2.11 0.00 0.00 58.89 61.00 1vre h TRP 14 Cb 0.69 0.00 0.00 0.00 -2.10 0.00 0.00 29.16 27.75 1vre h TRP 14 CO 0.00 0.00 -0.02 1.63 -2.79 0.00 0.00 178.44 177.26 1vre n LYS 15 N -2.13 1.28 -0.05 2.65 5.02 -1.25 -2.82 118.16 120.87 1vre n LYS 15 Ca 0.03 -0.49 -0.10 0.00 -2.02 0.00 0.00 58.31 55.73 1vre n LYS 15 Cb 0.44 -1.49 -0.03 0.00 -0.02 0.00 0.00 35.03 33.93 1vre n LYS 15 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 1vre n ASP 16 N -0.43 0.75 -0.02 4.39 -0.08 -1.23 -4.19 116.55 115.74 1vre n ASP 16 Ca 0.20 0.11 -0.08 0.00 -1.51 0.00 0.00 54.79 53.52 1vre n ASP 16 Cb 0.25 -0.27 0.10 0.00 2.34 0.00 0.00 41.12 43.54 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 -0.32 1.30 -0.92 5.18 2.04 -1.71 -2.95 117.51 120.12 1vre h ILE 17 Ca -0.24 -1.56 -0.53 0.00 1.00 0.00 0.00 64.86 63.54 1vre h ILE 17 Cb 1.21 1.53 -0.29 0.00 -0.74 0.00 0.00 36.82 38.53 1vre h ILE 17 CO -0.14 0.49 0.59 0.00 0.00 0.00 0.00 178.15 179.09 1vre n ALA 18 N -2.51 5.66 0.12 1.87 0.00 -1.13 -4.13 120.51 120.40 1vre n ALA 18 Ca -0.02 -3.12 -0.14 0.00 0.00 0.00 0.00 53.44 50.16 1vre n ALA 18 Cb 0.51 -1.42 -0.08 0.00 0.00 0.00 0.00 19.45 18.46 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 1.32 -1.18 0.00 0.00 0.00 -1.68 -3.17 103.07 98.37 1vre h GLY 19 Ca 0.58 0.61 0.00 0.00 0.00 0.00 0.00 47.33 48.52 1vre h GLY 19 CO 1.16 -0.31 -0.98 -1.14 0.00 0.00 0.00 176.54 175.26 1vre n SER 20 N -4.95 4.24 0.25 0.19 3.41 -1.26 -4.64 113.62 110.87 1vre n SER 20 Ca -0.08 0.00 0.16 0.00 -0.26 0.00 0.00 58.87 58.69 1vre n SER 20 Cb 0.35 0.16 0.61 0.00 -0.26 0.00 0.00 64.21 65.07 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 -1.08 4.04 3.04 -1.82 -3.46 116.42 117.14 1vre h ASP 21 Ca 0.00 0.00 -0.36 0.00 -3.24 0.00 0.00 57.03 53.43 1vre h ASP 21 Cb 0.98 0.00 -0.14 0.00 -1.04 0.00 0.00 39.33 39.13 1vre h ASP 21 CO 0.00 0.00 -0.33 -3.20 -2.04 0.00 0.00 179.24 173.67 1vre n ASN 22 N -2.96 -4.86 0.00 4.15 5.15 -1.20 -0.90 115.26 114.65 1vre n ASN 22 Ca 0.01 0.44 0.00 0.00 -0.60 0.00 0.00 54.58 54.43 1vre n ASN 22 Cb 0.32 -4.30 0.00 0.00 -0.53 0.00 0.00 39.78 35.27 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 -0.30 1.26 0.14 8.20 0.00 -1.26 -3.75 105.19 109.48 1vre n GLY 23 Ca -0.18 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.71 1vre n GLY 23 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1vre h ALA 24 N 0.00 -0.25 0.00 4.61 0.00 -1.26 -0.80 119.26 121.56 1vre h ALA 24 Ca 0.00 -0.15 -0.04 0.00 0.00 0.00 0.00 54.91 54.72 1vre h ALA 24 Cb 0.00 0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 1vre h ALA 24 CO 0.00 -0.52 -0.21 0.78 0.00 0.00 0.00 179.25 179.31 1vre h GLY 25 N -0.49 0.00 1.08 0.00 0.00 -1.93 -2.77 103.07 98.95 1vre h GLY 25 Ca -0.03 0.00 -0.17 0.00 0.00 0.00 0.00 47.33 47.14 1vre h GLY 25 CO 0.04 0.00 -0.47 -2.08 0.00 0.00 0.00 176.54 174.03 1vre h VAL 26 N 0.00 1.29 0.19 4.60 2.07 -1.86 -2.88 116.25 119.65 1vre h VAL 26 Ca -0.00 -1.67 -0.01 0.00 0.82 0.00 0.00 66.70 65.84 1vre h VAL 26 Cb 0.92 1.66 0.00 0.00 -1.52 0.00 0.00 31.29 32.36 1vre h VAL 26 CO 0.03 0.54 -0.09 1.23 0.02 0.00 0.00 177.57 179.30 1vre h GLY 27 N 0.57 -0.26 -0.49 2.17 0.00 -1.12 0.69 103.07 104.64 1vre h GLY 27 Ca 0.02 0.10 0.35 0.00 0.00 0.00 0.00 47.33 47.80 1vre h GLY 27 CO 0.11 -0.09 0.87 0.07 0.00 0.00 0.00 176.54 177.49 1vre h LYS 28 N -1.00 0.06 0.00 4.80 2.10 -1.60 0.67 116.57 121.60 1vre h LYS 28 Ca -0.03 -0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.62 1vre h LYS 28 Cb 0.40 -0.01 0.00 0.00 -0.90 0.00 0.00 32.23 31.72 1vre h LYS 28 CO 0.04 0.04 -1.41 -0.85 -2.00 0.00 0.00 179.45 175.28 1vre n GLU 29 N -4.26 0.50 -0.01 0.07 0.28 -1.09 -3.85 120.64 112.29 1vre n GLU 29 Ca 0.27 -0.05 -0.00 0.00 -0.16 0.00 0.00 57.16 57.22 1vre n GLU 29 Cb 1.25 -1.62 -0.00 0.00 1.43 0.00 0.00 31.44 32.51 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 -0.19 0.22 -0.09 0.00 -1.00 -1.41 -0.80 116.94 113.67 1vre h PHE 31 Ca 0.00 0.01 0.04 0.00 2.81 0.00 0.00 57.97 60.83 1vre h PHE 31 Cb 0.03 -0.06 -0.06 0.00 3.61 0.00 0.00 35.95 39.47 1vre h PHE 31 CO -0.01 0.04 -0.32 1.79 -1.61 0.00 0.00 178.31 178.20 1vre h THR 32 N 0.14 0.30 -0.24 -1.55 1.35 -1.71 0.58 112.91 111.79 1vre h THR 32 Ca 0.49 0.00 0.03 0.00 -0.55 0.00 0.00 66.41 66.38 1vre h THR 32 Cb 1.68 0.30 -0.03 0.00 -1.73 0.00 0.00 68.15 68.36 1vre h THR 32 CO -0.09 0.00 0.07 0.11 -0.25 0.00 0.00 175.52 175.36 1vre h LYS 33 N -0.41 0.16 -0.32 4.72 1.57 -1.25 0.91 116.57 121.94 1vre h LYS 33 Ca 0.09 -0.01 0.06 0.00 -1.87 0.00 0.00 60.65 58.91 1vre h LYS 33 Cb 0.55 -0.04 -0.05 0.00 0.08 0.00 0.00 32.23 32.77 1vre h LYS 33 CO -0.33 0.11 0.00 0.35 -0.57 0.00 0.00 179.45 179.02 1vre h PHE 34 N 0.17 -0.01 -0.85 -1.35 3.57 -1.10 0.20 116.94 117.57 1vre h PHE 34 Ca 0.11 0.02 0.01 0.00 3.53 0.00 0.00 57.97 61.64 1vre h PHE 34 Cb 0.09 0.05 -0.04 0.00 2.79 0.00 0.00 35.95 38.84 1vre h PHE 34 CO -0.14 -0.05 0.56 -0.07 -2.23 0.00 0.00 178.31 176.38 1vre h LEU 35 N 0.10 0.97 0.48 0.59 3.38 0.73 0.35 115.31 121.91 1vre h LEU 35 Ca 0.15 -0.02 -0.02 0.00 0.09 0.00 0.00 57.88 58.08 1vre h LEU 35 Cb 0.21 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 40.72 1vre h LEU 35 CO -0.26 0.70 -0.23 0.28 0.09 0.00 0.00 178.44 179.02 1vre h SER 36 N 1.14 -0.55 -0.02 -0.43 0.02 0.30 -2.91 113.55 111.10 1vre h SER 36 Ca 0.32 0.02 0.01 0.00 -0.84 0.00 0.00 61.79 61.29 1vre h SER 36 Cb -0.12 0.14 -0.00 0.00 0.14 0.00 0.00 62.40 62.56 1vre h SER 36 CO -0.07 -0.30 0.09 0.00 -1.14 0.00 0.00 176.83 175.41 1vre h ALA 37 N -1.51 1.23 -3.53 3.77 0.00 -0.62 -3.35 119.26 115.26 1vre h ALA 37 Ca -0.07 -0.00 -0.60 0.00 0.00 0.00 0.00 54.91 54.24 1vre h ALA 37 Cb 0.50 0.00 -0.39 0.00 0.00 0.00 0.00 17.79 17.90 1vre h ALA 37 CO 0.11 -0.10 -0.77 -1.01 0.00 0.00 0.00 179.25 177.47 1vre s HIS 38 N -4.26 2.36 -0.30 0.00 3.76 0.12 -4.95 115.29 112.01 1vre s HIS 38 Ca -0.05 -1.86 0.22 0.00 -0.15 0.00 0.00 55.06 53.22 1vre s HIS 38 Cb 0.13 -1.75 0.12 0.00 1.11 0.00 0.00 32.58 32.19 1vre s HIS 38 CO 0.42 -0.81 1.26 0.45 -0.85 0.00 0.00 174.74 175.21 1vre h HIS 39 N 7.95 0.00 0.00 1.40 -0.00 -1.70 -3.23 115.15 119.57 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 0.45 0.04 -0.02 0.38 -0.00 0.00 0.00 177.93 178.79 1vre h ASP 40 N 0.00 0.00 0.80 2.45 3.04 -1.92 -2.84 116.42 117.95 1vre h ASP 40 Ca -0.01 0.00 -0.01 0.00 -3.24 0.00 0.00 57.03 53.77 1vre h ASP 40 Cb 1.04 0.00 -0.00 0.00 -1.04 0.00 0.00 39.33 39.33 1vre h ASP 40 CO 0.00 0.02 -1.21 0.23 -2.04 0.00 0.00 179.24 176.24 1vre n MET 41 N -3.11 0.62 0.36 4.15 2.81 -1.22 -3.98 117.12 116.74 1vre n MET 41 Ca 0.01 0.07 -0.18 0.00 -1.81 0.00 0.00 57.70 55.80 1vre n MET 41 Cb 0.38 -1.77 -0.09 0.00 -0.71 0.00 0.00 33.22 31.03 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 1.96 -0.88 -0.17 3.04 0.00 -1.52 0.99 119.26 122.69 1vre h ALA 42 Ca -0.01 -0.19 0.05 0.00 0.00 0.00 0.00 54.91 54.75 1vre h ALA 42 Cb 1.05 0.34 -0.01 0.00 0.00 0.00 0.00 17.79 19.17 1vre h ALA 42 CO 0.00 -0.99 0.15 0.00 0.00 0.00 0.00 179.25 178.41 1vre h ALA 43 N -0.54 1.95 0.37 0.00 0.00 -1.68 0.43 119.26 119.79 1vre h ALA 43 Ca -0.09 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.80 1vre h ALA 43 Cb 0.68 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.48 1vre h ALA 43 CO 0.15 -0.23 -0.18 0.28 0.00 0.00 0.00 179.25 179.26 1vre h VAL 44 N 0.00 0.23 -0.95 0.00 2.07 -1.45 -3.25 116.25 112.89 1vre h VAL 44 Ca 0.08 -0.69 0.06 0.00 0.82 0.00 0.00 66.70 66.98 1vre h VAL 44 Cb 0.38 0.37 -0.07 0.00 -1.52 0.00 0.00 31.29 30.45 1vre h VAL 44 CO -0.00 0.05 0.60 -0.26 0.02 0.00 0.00 177.57 177.99 1vre h PHE 45 N -1.07 1.12 0.00 1.57 0.04 -0.42 -3.40 116.94 114.78 1vre h PHE 45 Ca -0.05 0.03 0.00 0.00 2.80 0.00 0.00 57.97 60.75 1vre h PHE 45 Cb 0.47 -0.37 0.00 0.00 2.20 0.00 0.00 35.95 38.25 1vre h PHE 45 CO 0.02 0.57 0.00 0.41 -0.60 0.00 0.00 178.31 178.71 1vre n GLY 46 N -1.35 1.48 3.49 -1.45 0.00 0.04 -5.01 105.19 102.39 1vre n GLY 46 Ca 0.14 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.93 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 2.10 -0.29 1.61 0.08 -0.62 -4.96 117.98 113.91 1vre s PHE 47 Ca 0.00 -0.84 0.15 0.00 0.12 0.00 0.00 56.93 56.37 1vre s PHE 47 Cb 0.00 -1.38 0.45 0.00 -0.57 0.00 0.00 43.02 41.52 1vre s PHE 47 CO 0.00 0.17 1.35 0.45 -0.10 0.00 0.00 175.22 177.09 1vre n SER 48 N -0.74 3.49 0.00 1.36 2.88 -1.26 -3.92 113.62 115.44 1vre n SER 48 Ca -0.03 -2.83 0.00 0.00 -1.33 0.00 0.00 58.87 54.67 1vre n SER 48 Cb 0.66 -0.46 0.00 0.00 -0.75 0.00 0.00 64.21 63.66 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 -0.46 0.13 1.65 0.46 0.00 -1.26 -4.88 105.19 100.83 1vre n GLY 49 Ca 0.18 -1.55 -0.06 0.00 0.00 0.00 0.00 46.02 44.59 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 -0.53 4.05 -1.86 4.61 0.00 -1.26 -4.06 120.51 121.46 1vre n ALA 50 Ca 0.00 -1.64 0.03 0.00 0.00 0.00 0.00 53.44 51.83 1vre n ALA 50 Cb 0.00 -1.20 0.15 0.00 0.00 0.00 0.00 19.45 18.40 1vre n ALA 50 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1vre n SER 51 N -0.12 1.81 -4.44 0.00 7.64 -1.26 -5.00 113.62 112.24 1vre n SER 51 Ca 0.30 -3.44 -0.33 0.00 1.01 0.00 0.00 58.87 56.41 1vre n SER 51 Cb 1.11 -0.46 -0.13 0.00 -1.01 0.00 0.00 64.21 63.71 1vre n SER 51 CO 0.00 0.00 0.00 -1.81 -3.01 0.00 0.00 175.04 170.22 1vre s ASP 52 N -3.02 4.11 0.51 6.43 1.11 -1.26 -4.98 116.67 119.58 1vre s ASP 52 Ca 0.38 -0.23 0.34 0.00 0.18 0.00 0.00 52.55 53.22 1vre s ASP 52 Cb 0.38 -1.23 1.70 0.00 1.07 0.00 0.00 42.92 44.84 1vre s ASP 52 CO -0.08 0.27 2.04 1.55 1.18 0.00 0.00 175.17 180.12 1vre h PRO 53 N 5.95 0.00 -0.92 8.23 0.13 -1.96 -2.40 132.00 141.03 1vre h PRO 53 Ca -0.37 0.00 0.02 0.00 -0.87 0.00 0.00 66.00 64.77 1vre h PRO 53 Cb 1.18 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.26 1vre h PRO 53 CO 0.53 0.00 0.61 0.78 -0.23 0.00 0.00 178.00 179.69 1vre h GLY 54 N 0.85 1.30 0.24 1.56 0.00 -1.93 -1.37 103.07 103.73 1vre h GLY 54 Ca 0.00 -0.47 0.18 0.00 0.00 0.00 0.00 47.33 47.04 1vre h GLY 54 CO 0.00 0.45 0.61 -2.08 0.00 0.00 0.00 176.54 175.52 1vre h VAL 55 N 1.22 0.74 0.00 4.60 2.07 -1.80 1.05 116.25 124.13 1vre h VAL 55 Ca 0.35 -0.24 0.00 0.00 0.82 0.00 0.00 66.70 67.62 1vre h VAL 55 Cb -0.10 -0.03 0.00 0.00 -1.52 0.00 0.00 31.29 29.64 1vre h VAL 55 CO -0.08 0.13 0.00 0.00 0.02 0.00 0.00 177.57 177.63 1vre n ALA 56 N -2.38 1.92 -0.03 1.67 0.00 -0.53 -2.16 120.51 119.00 1vre n ALA 56 Ca 0.21 -0.02 -0.15 0.00 0.00 0.00 0.00 53.44 53.48 1vre n ALA 56 Cb 0.57 -1.37 -0.14 0.00 0.00 0.00 0.00 19.45 18.50 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 -1.85 1.44 -0.03 0.00 2.03 0.35 -3.39 116.55 115.10 1vre n ASP 57 Ca 0.04 0.20 -0.01 0.00 0.52 0.00 0.00 54.79 55.55 1vre n ASP 57 Cb 0.27 -0.32 -0.00 0.00 -0.72 0.00 0.00 41.12 40.35 1vre n ASP 57 CO 0.00 0.00 0.00 -0.07 -1.92 0.00 0.00 177.20 175.21 1vre h LEU 58 N 0.03 -0.03 -1.36 -2.67 3.38 -1.04 -2.98 115.31 110.64 1vre h LEU 58 Ca -0.41 0.00 0.11 0.00 0.09 0.00 0.00 57.88 57.67 1vre h LEU 58 Cb 2.04 0.01 -0.06 0.00 0.09 0.00 0.00 40.66 42.74 1vre h LEU 58 CO 0.05 0.41 0.53 1.23 0.09 0.00 0.00 178.44 180.75 1vre h GLY 59 N -0.89 1.04 0.96 0.83 0.00 -1.68 0.40 103.07 103.74 1vre h GLY 59 Ca -0.00 -0.29 -0.01 0.00 0.00 0.00 0.00 47.33 47.03 1vre h GLY 59 CO 0.01 0.15 -0.12 0.00 0.00 0.00 0.00 176.54 176.57 1vre h ALA 60 N 1.60 -0.35 -0.43 3.60 0.00 -1.67 0.17 119.26 122.19 1vre h ALA 60 Ca 0.38 -0.09 -0.10 0.00 0.00 0.00 0.00 54.91 55.10 1vre h ALA 60 Cb 0.53 0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.45 1vre h ALA 60 CO -0.15 -0.67 -0.11 0.87 0.00 0.00 0.00 179.25 179.18 1vre h LYS 61 N -0.39 0.83 -0.63 0.00 1.57 -1.20 -2.93 116.57 113.82 1vre h LYS 61 Ca -0.04 -0.32 0.06 0.00 -1.87 0.00 0.00 60.65 58.48 1vre h LYS 61 Cb 0.30 -0.05 -0.06 0.00 0.08 0.00 0.00 32.23 32.51 1vre h LYS 61 CO 0.06 0.95 0.33 0.28 -0.57 0.00 0.00 179.45 180.50 1vre h VAL 62 N 0.66 0.94 -0.75 0.50 2.07 -0.03 -1.42 116.25 118.22 1vre h VAL 62 Ca 0.11 -0.21 0.17 0.00 0.82 0.00 0.00 66.70 67.59 1vre h VAL 62 Cb 0.65 0.27 -0.12 0.00 -1.52 0.00 0.00 31.29 30.57 1vre h VAL 62 CO 0.04 0.11 0.14 -0.07 0.02 0.00 0.00 177.57 177.82 1vre h LEU 63 N 0.62 -0.07 -0.50 2.57 -0.00 -0.47 0.13 115.31 117.60 1vre h LEU 63 Ca 0.29 0.16 0.10 0.00 -0.00 0.00 0.00 57.88 58.43 1vre h LEU 63 Cb 0.21 0.24 -0.09 0.00 -0.00 0.00 0.00 40.66 41.02 1vre h LEU 63 CO -0.20 -0.09 -0.08 0.00 -0.00 0.00 0.00 178.44 178.08 1vre h ALA 64 N 1.65 0.38 -0.94 1.53 0.00 -1.25 0.37 119.26 121.01 1vre h ALA 64 Ca 0.43 0.18 0.17 0.00 0.00 0.00 0.00 54.91 55.68 1vre h ALA 64 Cb 0.76 0.33 -0.08 0.00 0.00 0.00 0.00 17.79 18.80 1vre h ALA 64 CO -0.56 -0.42 0.60 0.37 0.00 0.00 0.00 179.25 179.23 1vre h GLN 65 N 0.04 0.66 -0.29 0.00 -0.00 -0.71 0.38 115.11 115.19 1vre h GLN 65 Ca 0.24 -0.04 -0.11 0.00 -0.00 0.00 0.00 58.65 58.75 1vre h GLN 65 Cb 0.38 -0.15 -0.01 0.00 0.00 0.00 0.00 27.48 27.69 1vre h GLN 65 CO -0.48 0.44 -0.27 0.82 0.00 0.00 0.00 178.83 179.34 1vre h ILE 66 N 0.68 1.27 -0.10 2.39 1.08 0.06 -1.12 117.51 121.78 1vre h ILE 66 Ca 0.49 -1.35 -0.05 0.00 -0.39 0.00 0.00 64.86 63.56 1vre h ILE 66 Cb 0.84 1.34 -0.00 0.00 -3.07 0.00 0.00 36.82 35.93 1vre h ILE 66 CO -0.25 0.43 -0.13 1.23 -0.69 0.00 0.00 178.15 178.75 1vre h GLY 67 N 1.01 0.28 2.00 5.37 0.00 0.12 -0.03 103.07 111.82 1vre h GLY 67 Ca 0.07 -0.30 -0.01 0.00 0.00 0.00 0.00 47.33 47.08 1vre h GLY 67 CO 0.06 0.27 -0.07 -2.08 0.00 0.00 0.00 176.54 174.72 1vre h VAL 68 N -0.17 0.59 0.01 4.60 2.07 -0.54 -1.72 116.25 121.09 1vre h VAL 68 Ca 0.01 -0.28 -0.26 0.00 0.82 0.00 0.00 66.70 66.99 1vre h VAL 68 Cb 0.67 1.18 -0.04 0.00 -1.52 0.00 0.00 31.29 31.58 1vre h VAL 68 CO 0.03 0.07 -1.36 0.00 0.02 0.00 0.00 177.57 176.32 1vre h ALA 69 N 1.93 0.52 -0.61 1.67 0.00 -0.96 -3.31 119.26 118.50 1vre h ALA 69 Ca -0.00 -1.17 -0.03 0.00 0.00 0.00 0.00 54.91 53.70 1vre h ALA 69 Cb 0.17 0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.10 1vre h ALA 69 CO 0.01 1.38 0.24 0.28 0.00 0.00 0.00 179.25 181.16 1vre h VAL 70 N 0.01 1.22 0.01 0.00 2.07 -0.07 -1.86 116.25 117.63 1vre h VAL 70 Ca -0.15 -0.68 0.00 0.00 0.82 0.00 0.00 66.70 66.68 1vre h VAL 70 Cb 1.90 0.50 -0.00 0.00 -1.52 0.00 0.00 31.29 32.17 1vre h VAL 70 CO 0.11 0.27 -0.04 0.77 0.02 0.00 0.00 177.57 178.70 1vre h SER 71 N 0.87 -0.12 -0.83 0.57 4.64 -1.60 -2.20 113.55 114.89 1vre h SER 71 Ca 0.21 0.01 -0.44 0.00 -0.47 0.00 0.00 61.79 61.10 1vre h SER 71 Cb 0.18 0.04 -0.17 0.00 -0.31 0.00 0.00 62.40 62.14 1vre h SER 71 CO -0.02 -0.04 0.44 1.41 -0.87 0.00 0.00 176.83 177.75 1vre n HIS 72 N -2.65 1.68 0.44 4.77 8.25 -1.20 -4.33 115.22 122.17 1vre n HIS 72 Ca -0.01 -2.02 0.12 0.00 -0.26 0.00 0.00 57.72 55.56 1vre n HIS 72 Cb 0.03 -1.21 0.17 0.00 1.12 0.00 0.00 29.99 30.10 1vre n HIS 72 CO 0.00 0.00 0.00 1.25 0.64 0.00 0.00 176.34 178.23 1vre h LEU 73 N 3.24 0.00 0.00 2.41 5.85 -0.67 -3.29 115.31 122.85 1vre h LEU 73 Ca 0.36 -0.11 -0.18 0.00 0.84 0.00 0.00 57.88 58.79 1vre h LEU 73 Cb 0.80 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 41.80 1vre h LEU 73 CO 0.88 0.06 -0.89 1.23 -0.34 0.00 0.00 178.44 179.38 1vre h GLY 74 N 4.35 0.00 0.00 3.75 0.00 -1.79 -3.46 103.07 105.91 1vre h GLY 74 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1vre h GLY 74 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 176.54 177.76 1vre n ASP 75 N -3.29 0.19 -2.38 0.19 9.92 -1.24 -5.04 116.55 114.89 1vre n ASP 75 Ca -0.00 0.00 -0.03 0.00 -0.53 0.00 0.00 54.79 54.23 1vre n ASP 75 Cb 0.88 0.00 0.02 0.00 -0.64 0.00 0.00 41.12 41.38 1vre n ASP 75 CO 0.00 0.00 0.00 1.21 0.13 0.00 0.00 177.20 178.54 1vre n GLU 76 N 0.00 0.42 -0.17 -1.24 4.07 -1.26 -4.97 120.64 117.48 1vre n GLU 76 Ca 0.00 -0.74 0.05 0.00 -0.06 0.00 0.00 57.16 56.40 1vre n GLU 76 Cb 0.00 0.04 0.07 0.00 -0.06 0.00 0.00 31.44 31.49 1vre n GLU 76 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1vre n GLY 77 N -0.53 2.71 1.16 8.31 0.00 -1.26 -4.86 105.19 110.72 1vre n GLY 77 Ca -0.16 -0.55 0.00 0.00 0.00 0.00 0.00 46.02 45.30 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 -0.77 0.00 -0.28 1.61 4.81 -1.26 -4.91 118.16 117.35 1vre n LYS 78 Ca 0.08 0.00 0.10 0.00 -0.87 0.00 0.00 58.31 57.62 1vre n LYS 78 Cb 0.58 0.00 0.25 0.00 0.02 0.00 0.00 35.03 35.89 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 0.32 0.00 1.64 4.05 -1.90 1.47 114.93 120.52 1vre h MET 79 Ca 0.00 -0.02 -0.01 0.00 -0.28 0.00 0.00 59.70 59.39 1vre h MET 79 Cb 0.00 -0.07 -0.00 0.00 -0.80 0.00 0.00 31.60 30.73 1vre h MET 79 CO 0.00 0.21 -0.04 0.28 0.23 0.00 0.00 176.91 177.59 1vre h VAL 80 N 0.33 0.48 0.22 -5.77 2.07 -1.92 -1.09 116.25 110.58 1vre h VAL 80 Ca 0.50 -0.21 -0.01 0.00 0.82 0.00 0.00 66.70 67.80 1vre h VAL 80 Cb 0.92 1.14 0.00 0.00 -1.52 0.00 0.00 31.29 31.83 1vre h VAL 80 CO -0.53 0.04 -0.11 0.00 0.02 0.00 0.00 177.57 176.99 1vre h ALA 81 N 1.96 -0.30 -0.22 1.67 0.00 0.17 0.33 119.26 122.87 1vre h ALA 81 Ca -0.00 -0.15 -0.04 0.00 0.00 0.00 0.00 54.91 54.72 1vre h ALA 81 Cb 0.14 0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 1vre h ALA 81 CO 0.01 -0.55 -0.03 1.49 0.00 0.00 0.00 179.25 180.16 1vre h GLU 82 N -0.53 0.41 -0.44 0.00 4.81 -1.26 -2.89 114.58 114.68 1vre h GLU 82 Ca -0.03 -0.14 0.08 0.00 -0.13 0.00 0.00 59.36 59.14 1vre h GLU 82 Cb 0.40 -0.03 -0.07 0.00 0.63 0.00 0.00 28.75 29.67 1vre h GLU 82 CO 0.05 0.63 -0.01 0.52 -0.73 0.00 0.00 179.01 179.46 1vre h MET 83 N 0.15 0.09 -0.85 1.92 2.86 -1.19 0.35 114.93 118.26 1vre h MET 83 Ca 0.06 -0.01 0.19 0.00 -2.06 0.00 0.00 59.70 57.88 1vre h MET 83 Cb 0.46 -0.02 -0.06 0.00 0.06 0.00 0.00 31.60 32.04 1vre h MET 83 CO 0.02 0.06 0.57 -0.22 1.06 0.00 0.00 176.91 178.40 1vre h LYS 84 N 0.09 0.35 0.00 1.72 3.64 -0.79 1.19 116.57 122.77 1vre h LYS 84 Ca 0.22 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.58 1vre h LYS 84 Cb 0.32 -0.08 0.00 0.00 -0.41 0.00 0.00 32.23 32.06 1vre h LYS 84 CO -0.38 0.23 0.00 0.00 -2.27 0.00 0.00 179.45 177.04 1vre h ALA 85 N 1.62 1.00 0.05 5.00 0.00 -0.10 -1.80 119.26 125.02 1vre h ALA 85 Ca 0.43 0.00 -0.28 0.00 0.00 0.00 0.00 54.91 55.06 1vre h ALA 85 Cb 1.12 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.88 1vre h ALA 85 CO -0.14 0.00 -1.50 0.28 0.00 0.00 0.00 179.25 177.89 1vre h VAL 86 N 0.00 1.14 -0.20 0.00 2.07 0.17 -3.25 116.25 116.19 1vre h VAL 86 Ca 0.00 -2.88 -0.12 0.00 0.82 0.00 0.00 66.70 64.51 1vre h VAL 86 Cb 0.26 2.64 0.00 0.00 -1.52 0.00 0.00 31.29 32.67 1vre h VAL 86 CO 0.00 0.74 -0.36 1.23 0.02 0.00 0.00 177.57 179.19 1vre h GLY 87 N 2.63 0.65 1.31 2.17 0.00 -1.09 -2.41 103.07 106.33 1vre h GLY 87 Ca -0.21 -0.76 0.07 0.00 0.00 0.00 0.00 47.33 46.43 1vre h GLY 87 CO 0.12 0.68 0.27 -2.08 0.00 0.00 0.00 176.54 175.54 1vre h VAL 88 N 0.27 0.46 0.00 4.60 2.07 -0.23 0.40 116.25 123.83 1vre h VAL 88 Ca 0.01 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.52 1vre h VAL 88 Cb 0.96 0.78 0.00 0.00 -1.52 0.00 0.00 31.29 31.51 1vre h VAL 88 CO 0.08 0.00 -0.05 0.03 0.02 0.00 0.00 177.57 177.65 1vre h ARG 89 N 0.00 0.03 0.00 1.57 -0.00 -1.48 -3.12 114.38 111.38 1vre h ARG 89 Ca 0.12 -0.04 -0.00 0.00 -0.50 0.00 0.00 59.98 59.56 1vre h ARG 89 Cb 0.67 0.01 -0.00 0.00 0.00 0.00 0.00 29.97 30.65 1vre h ARG 89 CO -0.00 0.83 -0.02 0.45 0.00 0.00 0.00 179.97 181.23 1vre h HIS 90 N -0.75 0.00 0.00 3.04 3.86 -0.69 -0.91 115.15 119.70 1vre h HIS 90 Ca -0.01 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.20 1vre h HIS 90 Cb 0.85 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.32 1vre h HIS 90 CO 0.20 0.02 0.00 1.17 0.86 0.00 0.00 177.93 180.18 1vre n LYS 91 N -3.31 0.14 -2.81 2.45 0.00 -0.01 -3.19 118.16 111.42 1vre n LYS 91 Ca -0.02 0.54 -0.11 0.00 0.00 0.00 0.00 58.31 58.72 1vre n LYS 91 Cb 0.13 -1.87 0.03 0.00 0.00 0.00 0.00 35.03 33.32 1vre n LYS 91 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1vre n GLY 92 N -0.85 1.98 1.28 3.14 0.00 -0.35 -4.88 105.19 105.51 1vre n GLY 92 Ca 0.00 -1.13 -0.08 0.00 0.00 0.00 0.00 46.02 44.82 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 -0.01 -3.30 0.12 1.61 4.02 -1.19 -4.99 117.16 113.41 1vre n TYR 93 Ca 0.11 -0.56 0.01 0.00 -0.01 0.00 0.00 57.90 57.45 1vre n TYR 93 Cb 0.77 -0.25 -0.00 0.00 -0.02 0.00 0.00 39.34 39.84 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 -0.23 0.00 0.50 2.72 0.00 -1.93 -3.32 103.07 100.81 1vre h GLY 94 Ca -0.11 0.00 -0.19 0.00 0.00 0.00 0.00 47.33 47.03 1vre h GLY 94 CO 0.12 0.00 -0.89 -0.57 0.00 0.00 0.00 176.54 175.20 1vre h ASN 95 N 0.00 0.34 0.00 0.19 -1.24 -1.89 -3.47 115.58 109.51 1vre h ASN 95 Ca -0.03 -0.90 0.00 0.00 0.71 0.00 0.00 56.30 56.08 1vre h ASN 95 Cb 1.44 -0.11 0.00 0.00 0.73 0.00 0.00 38.32 40.38 1vre h ASN 95 CO 0.07 1.40 0.00 1.17 -1.29 0.00 0.00 177.43 178.78 1vre n LYS 96 N -4.16 0.00 -1.16 6.67 4.81 -1.25 -4.77 118.16 118.30 1vre n LYS 96 Ca -0.18 0.00 -0.37 0.00 -0.87 0.00 0.00 58.31 56.89 1vre n LYS 96 Cb 0.78 0.00 -0.09 0.00 0.02 0.00 0.00 35.03 35.75 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 1.29 -4.06 5.64 8.25 -1.26 -4.87 115.22 120.20 1vre n HIS 97 Ca 0.00 -1.11 -0.26 0.00 -0.26 0.00 0.00 57.72 56.09 1vre n HIS 97 Cb 0.00 -1.68 -0.05 0.00 1.12 0.00 0.00 29.99 29.38 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 8.36 4.61 0.03 1.59 1.01 -1.26 -4.96 121.20 130.58 1vre s ILE 98 Ca 0.66 -1.03 0.01 0.00 0.00 0.00 0.00 60.65 60.29 1vre s ILE 98 Cb 0.09 -3.36 -0.02 0.00 0.01 0.00 0.00 42.46 39.18 1vre s ILE 98 CO 0.21 -0.11 -0.04 -0.54 0.00 0.00 0.00 174.94 174.45 1vre s LYS 99 N -3.14 0.37 0.23 2.79 3.01 -1.26 -5.03 119.74 116.72 1vre s LYS 99 Ca 0.32 -0.64 0.23 0.00 -1.01 0.00 0.00 55.97 54.86 1vre s LYS 99 Cb -0.10 -0.02 0.16 0.00 -1.01 0.00 0.00 37.83 36.86 1vre s LYS 99 CO 0.24 -0.02 1.23 0.00 0.51 0.00 0.00 175.35 177.32 1vre h ALA 100 N 4.64 0.63 0.00 5.17 0.00 -1.98 -3.28 119.26 124.43 1vre h ALA 100 Ca -0.33 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.58 1vre h ALA 100 Cb 1.21 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.00 1vre h ALA 100 CO 0.41 0.00 0.00 1.05 0.00 0.00 0.00 179.25 180.71 1vre h GLU 101 N 0.00 0.00 0.00 0.00 4.11 -1.99 -1.88 114.58 114.82 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 0.94 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.18 1vre h GLU 101 CO 0.00 0.00 -0.34 1.88 0.07 0.00 0.00 179.01 180.62 1vre h TYR 102 N 0.00 0.00 0.54 2.06 -1.99 -2.00 -3.36 116.97 112.23 1vre h TYR 102 Ca 0.00 0.00 -0.03 0.00 2.00 0.00 0.00 58.73 60.70 1vre h TYR 102 Cb 0.35 0.00 0.01 0.00 2.00 0.00 0.00 36.73 39.09 1vre h TYR 102 CO 0.00 0.14 -0.26 0.74 -0.00 0.00 0.00 178.16 178.78 1vre h PHE 103 N 0.00 -0.68 -0.64 4.88 -1.00 -1.51 -0.05 116.94 117.94 1vre h PHE 103 Ca -0.01 -0.02 0.08 0.00 2.81 0.00 0.00 57.97 60.83 1vre h PHE 103 Cb 1.12 0.22 -0.10 0.00 3.61 0.00 0.00 35.95 40.80 1vre h PHE 103 CO 0.00 -0.42 -0.53 0.93 -1.61 0.00 0.00 178.31 176.68 1vre h GLU 104 N -0.74 -0.22 -0.45 1.51 5.08 -1.72 0.24 114.58 118.28 1vre h GLU 104 Ca -0.07 0.01 0.07 0.00 -1.00 0.00 0.00 59.36 58.37 1vre h GLU 104 Cb 0.56 0.05 -0.06 0.00 0.50 0.00 0.00 28.75 29.80 1vre h GLU 104 CO 0.12 -0.15 0.13 -1.00 -1.00 0.00 0.00 179.01 177.11 1vre h PRO 105 N -0.23 0.27 0.00 2.33 0.13 -1.69 0.22 132.00 133.04 1vre h PRO 105 Ca 0.14 -0.02 -0.00 0.00 -0.87 0.00 0.00 66.00 65.25 1vre h PRO 105 Cb 0.54 -0.06 -0.00 0.00 0.13 0.00 0.00 31.00 31.61 1vre h PRO 105 CO -0.73 0.18 -0.02 1.25 -0.23 0.00 0.00 178.00 178.44 1vre h LEU 106 N 0.28 0.00 -0.01 1.56 7.12 0.96 -2.33 115.31 122.89 1vre h LEU 106 Ca 0.22 0.00 -0.04 0.00 0.13 0.00 0.00 57.88 58.18 1vre h LEU 106 Cb 0.25 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 40.38 1vre h LEU 106 CO -0.25 0.02 -0.17 1.23 -0.13 0.00 0.00 178.44 179.14 1vre h GLY 107 N 0.33 0.15 0.88 3.75 0.00 0.26 -2.81 103.07 105.62 1vre h GLY 107 Ca -0.00 -0.24 0.01 0.00 0.00 0.00 0.00 47.33 47.10 1vre h GLY 107 CO 0.00 0.21 -0.08 0.00 0.00 0.00 0.00 176.54 176.68 1vre h ALA 108 N 0.29 -0.13 0.00 3.60 0.00 -0.86 -0.22 119.26 121.94 1vre h ALA 108 Ca -0.02 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1vre h ALA 108 Cb 0.90 0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.80 1vre h ALA 108 CO 0.03 -0.59 0.05 0.77 0.00 0.00 0.00 179.25 179.52 1vre h SER 109 N -0.16 0.00 0.69 0.00 0.02 -1.53 -0.02 113.55 112.54 1vre h SER 109 Ca 0.01 0.00 -0.18 0.00 -0.84 0.00 0.00 61.79 60.78 1vre h SER 109 Cb 0.17 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.69 1vre h SER 109 CO -0.03 0.00 -0.81 0.25 -1.14 0.00 0.00 176.83 175.09 1vre h LEU 110 N 0.00 0.11 -0.91 5.07 6.46 -0.76 -3.09 115.31 122.18 1vre h LEU 110 Ca 0.00 -0.08 -0.11 0.00 -0.12 0.00 0.00 57.88 57.57 1vre h LEU 110 Cb 0.10 -0.03 -0.02 0.00 -0.73 0.00 0.00 40.66 39.99 1vre h LEU 110 CO 0.00 0.87 -0.51 -0.07 -0.62 0.00 0.00 178.44 178.11 1vre h LEU 111 N 0.05 0.00 -0.64 2.25 3.38 -0.78 -2.04 115.31 117.53 1vre h LEU 111 Ca -0.02 0.00 -0.15 0.00 0.09 0.00 0.00 57.88 57.80 1vre h LEU 111 Cb 1.42 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.16 1vre h LEU 111 CO 0.11 0.51 -0.55 0.28 0.09 0.00 0.00 178.44 178.89 1vre h SER 112 N 0.00 0.43 1.00 -0.43 0.02 -1.49 -3.08 113.55 109.99 1vre h SER 112 Ca -0.01 -0.23 -0.21 0.00 -0.84 0.00 0.00 61.79 60.51 1vre h SER 112 Cb 0.96 -0.12 -0.03 0.00 0.14 0.00 0.00 62.40 63.34 1vre h SER 112 CO 0.07 0.89 -1.02 0.00 -1.14 0.00 0.00 176.83 175.63 1vre h ALA 113 N 1.12 0.41 -0.37 3.77 0.00 -1.48 -3.26 119.26 119.45 1vre h ALA 113 Ca 0.01 -0.92 -0.02 0.00 0.00 0.00 0.00 54.91 53.98 1vre h ALA 113 Cb 1.05 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.73 1vre h ALA 113 CO 0.09 1.22 0.15 0.52 0.00 0.00 0.00 179.25 181.24 1vre h MET 114 N 0.00 0.53 0.00 0.00 2.07 -1.29 -0.55 114.93 115.68 1vre h MET 114 Ca -0.03 -0.06 0.00 0.00 -2.07 0.00 0.00 59.70 57.53 1vre h MET 114 Cb 1.76 -0.10 0.00 0.00 -1.87 0.00 0.00 31.60 31.38 1vre h MET 114 CO 0.12 0.44 0.00 1.05 1.07 0.00 0.00 176.91 179.59 1vre h GLU 115 N 0.53 0.00 -0.18 1.72 4.11 -1.58 -2.58 114.58 116.59 1vre h GLU 115 Ca 0.13 0.00 0.02 0.00 0.07 0.00 0.00 59.36 59.58 1vre h GLU 115 Cb 0.11 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.33 1vre h GLU 115 CO -0.01 0.00 0.03 0.45 0.07 0.00 0.00 179.01 179.55 1vre h HIS 116 N 0.00 0.06 0.13 2.06 3.86 -1.26 0.50 115.15 120.49 1vre h HIS 116 Ca 0.00 0.01 -0.01 0.00 -1.16 0.00 0.00 60.37 59.21 1vre h HIS 116 Cb 0.07 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.54 1vre h HIS 116 CO 0.00 0.02 -0.06 -0.09 0.86 0.00 0.00 177.93 178.66 1vre h ARG 117 N 0.11 -0.16 -2.17 2.45 2.43 -1.63 -3.34 114.38 112.06 1vre h ARG 117 Ca 0.08 0.01 -0.61 0.00 -0.81 0.00 0.00 59.98 58.65 1vre h ARG 117 Cb 0.08 0.04 -0.18 0.00 -0.42 0.00 0.00 29.97 29.48 1vre h ARG 117 CO -0.11 -0.11 1.03 0.44 -1.51 0.00 0.00 179.97 179.71 1vre n ILE 118 N -3.31 4.03 0.29 1.20 -5.35 -1.20 -4.61 119.36 110.41 1vre n ILE 118 Ca -0.02 -3.69 0.12 0.00 -0.27 0.00 0.00 62.75 58.89 1vre n ILE 118 Cb 0.07 -1.67 0.56 0.00 -1.74 0.00 0.00 39.64 36.86 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 4.25 0.00 0.16 3.28 0.00 -0.11 0.91 103.07 111.55 1vre h GLY 119 Ca 0.50 0.00 -0.36 0.00 0.00 0.00 0.00 47.33 47.47 1vre h GLY 119 CO 1.12 0.00 -2.29 0.61 0.00 0.00 0.00 176.54 175.98 1vre n GLY 120 N -0.58 -0.94 0.08 4.60 0.00 -1.26 -4.41 105.19 102.68 1vre n GLY 120 Ca 0.00 -0.28 -0.01 0.00 0.00 0.00 0.00 46.02 45.73 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 -2.85 0.64 -1.56 1.61 5.02 -0.93 -4.79 118.16 115.30 1vre n LYS 121 Ca -0.32 0.12 -0.31 0.00 -2.02 0.00 0.00 58.31 55.78 1vre n LYS 121 Cb 1.13 -1.70 -0.04 0.00 -0.02 0.00 0.00 35.03 34.40 1vre n LYS 121 CO 0.00 0.00 0.00 1.41 -0.52 0.00 0.00 177.40 178.29 1vre s MET 122 N -2.90 1.97 0.09 1.97 1.75 0.31 -4.89 119.30 117.60 1vre s MET 122 Ca -0.05 1.19 0.01 0.00 -1.25 0.00 0.00 55.69 55.59 1vre s MET 122 Cb 0.09 -4.63 0.01 0.00 2.84 0.00 0.00 34.83 33.14 1vre s MET 122 CO 0.83 -3.56 0.08 0.27 -0.65 0.00 0.00 175.02 171.99 1vre n ASN 123 N 16.59 0.93 0.02 1.11 6.94 -1.26 -4.88 115.26 134.71 1vre n ASN 123 Ca 0.39 -1.27 -0.12 0.00 -0.02 0.00 0.00 54.58 53.56 1vre n ASN 123 Cb 0.52 -0.03 -0.06 0.00 -2.36 0.00 0.00 39.78 37.85 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 0.63 0.07 -0.10 -2.53 0.00 -1.99 -0.64 119.26 114.70 1vre h ALA 124 Ca -0.05 -0.01 0.03 0.00 0.00 0.00 0.00 54.91 54.88 1vre h ALA 124 Cb 0.20 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 17.96 1vre h ALA 124 CO 0.08 -0.44 0.10 0.00 0.00 0.00 0.00 179.25 178.99 1vre h ALA 125 N 1.01 1.75 0.06 0.00 0.00 -1.96 0.71 119.26 120.82 1vre h ALA 125 Ca 0.02 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.92 1vre h ALA 125 Cb -0.00 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.80 1vre h ALA 125 CO -0.00 -0.15 -0.03 0.00 0.00 0.00 0.00 179.25 179.06 1vre h ALA 126 N 1.89 -0.08 0.00 0.00 0.00 -1.57 -0.40 119.26 119.10 1vre h ALA 126 Ca 0.05 -0.27 -0.11 0.00 0.00 0.00 0.00 54.91 54.58 1vre h ALA 126 Cb 0.25 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.06 1vre h ALA 126 CO -0.00 -0.12 -0.51 1.57 0.00 0.00 0.00 179.25 180.19 1vre h LYS 127 N -0.93 0.00 0.10 0.00 2.10 -0.76 -1.64 116.57 115.43 1vre h LYS 127 Ca -0.01 0.00 -0.24 0.00 -2.00 0.00 0.00 60.65 58.40 1vre h LYS 127 Cb 0.57 0.00 0.02 0.00 -0.90 0.00 0.00 32.23 31.93 1vre h LYS 127 CO 0.01 0.51 -1.00 0.22 -2.00 0.00 0.00 179.45 177.19 1vre h ASP 128 N 0.00 0.71 0.01 7.07 1.82 0.32 -1.78 116.42 124.58 1vre h ASP 128 Ca -0.01 -0.84 -0.00 0.00 -0.39 0.00 0.00 57.03 55.80 1vre h ASP 128 Cb 0.93 -0.22 0.00 0.00 0.68 0.00 0.00 39.33 40.72 1vre h ASP 128 CO 0.07 1.48 -0.01 0.00 -1.61 0.00 0.00 179.24 179.17 1vre h ALA 129 N 0.25 -0.02 0.00 -0.78 0.00 -1.01 -2.60 119.26 115.10 1vre h ALA 129 Ca -0.15 -0.14 -0.04 0.00 0.00 0.00 0.00 54.91 54.58 1vre h ALA 129 Cb 1.72 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 19.51 1vre h ALA 129 CO 0.19 -0.37 -0.20 -1.49 0.00 0.00 0.00 179.25 177.38 1vre h TRP 130 N -0.29 0.00 0.00 0.00 4.06 -1.41 -0.88 115.95 117.43 1vre h TRP 130 Ca -0.00 0.00 -0.05 0.00 2.06 0.00 0.00 58.89 60.90 1vre h TRP 130 Cb 0.28 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 28.44 1vre h TRP 130 CO 0.02 0.20 -0.23 0.00 -3.56 0.00 0.00 178.44 174.87 1vre h ALA 131 N 1.80 1.50 0.00 1.49 0.00 -0.97 -0.82 119.26 122.26 1vre h ALA 131 Ca -0.00 -0.21 -0.13 0.00 0.00 0.00 0.00 54.91 54.57 1vre h ALA 131 Cb 0.38 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.11 1vre h ALA 131 CO 0.03 0.29 -1.35 0.00 0.00 0.00 0.00 179.25 178.21 1vre n ALA 132 N -2.44 2.09 0.02 0.00 0.00 -0.53 -3.59 120.51 116.05 1vre n ALA 132 Ca -0.02 -0.48 -0.02 0.00 0.00 0.00 0.00 53.44 52.92 1vre n ALA 132 Cb 0.30 -0.98 -0.01 0.00 0.00 0.00 0.00 19.45 18.76 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 1.57 -0.16 -0.50 0.00 0.00 -0.65 -2.91 119.26 116.61 1vre h ALA 133 Ca -0.13 -0.03 0.14 0.00 0.00 0.00 0.00 54.91 54.90 1vre h ALA 133 Cb 1.44 0.05 -0.02 0.00 0.00 0.00 0.00 17.79 19.26 1vre h ALA 133 CO 0.03 -0.15 0.51 1.88 0.00 0.00 0.00 179.25 181.52 1vre h TYR 134 N -0.75 0.00 -0.20 0.00 0.05 -1.38 0.35 116.97 115.03 1vre h TYR 134 Ca -0.01 0.00 -0.08 0.00 0.05 0.00 0.00 58.73 58.69 1vre h TYR 134 Cb 0.10 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 37.83 1vre h TYR 134 CO 0.01 0.00 -0.19 0.00 -1.05 0.00 0.00 178.16 176.93 1vre h ALA 135 N 1.45 0.30 -0.01 3.88 0.00 -1.61 -0.44 119.26 122.82 1vre h ALA 135 Ca 0.24 -0.35 -0.18 0.00 0.00 0.00 0.00 54.91 54.61 1vre h ALA 135 Cb 1.25 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.96 1vre h ALA 135 CO -0.00 0.22 -0.82 0.22 0.00 0.00 0.00 179.25 178.87 1vre h ASP 136 N 0.17 0.21 0.59 0.00 1.82 -0.39 -1.47 116.42 117.35 1vre h ASP 136 Ca 0.03 -0.16 -0.03 0.00 -0.39 0.00 0.00 57.03 56.48 1vre h ASP 136 Cb 0.73 -0.06 0.01 0.00 0.68 0.00 0.00 39.33 40.69 1vre h ASP 136 CO 0.05 0.94 -0.29 0.40 -1.61 0.00 0.00 179.24 178.73 1vre h ILE 137 N 0.10 0.09 0.00 2.25 2.04 -0.42 -1.78 117.51 119.79 1vre h ILE 137 Ca -0.03 -0.41 0.00 0.00 1.00 0.00 0.00 64.86 65.42 1vre h ILE 137 Cb 1.43 0.13 0.00 0.00 -0.74 0.00 0.00 36.82 37.64 1vre h ILE 137 CO 0.12 0.02 0.00 -1.54 0.00 0.00 0.00 178.15 176.75 1vre n SER 138 N -5.31 0.51 0.14 1.72 3.41 -0.18 -1.64 113.62 112.26 1vre n SER 138 Ca -0.10 0.65 0.08 0.00 -0.26 0.00 0.00 58.87 59.24 1vre n SER 138 Cb 0.33 -0.75 0.05 0.00 -0.26 0.00 0.00 64.21 63.58 1vre n SER 138 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 1vre h GLY 139 N 1.68 0.00 1.38 5.00 0.00 -1.06 -3.25 103.07 106.82 1vre h GLY 139 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1vre h GLY 139 CO 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 176.54 176.22 1vre n ALA 140 N -2.19 3.07 0.34 3.60 0.00 -0.65 -3.59 120.51 121.08 1vre n ALA 140 Ca 0.00 -0.25 0.04 0.00 0.00 0.00 0.00 53.44 53.23 1vre n ALA 140 Cb 0.62 -1.25 0.18 0.00 0.00 0.00 0.00 19.45 18.99 1vre n ALA 140 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 1vre n LEU 141 N -1.55 2.81 -0.79 0.00 0.00 -1.20 -3.75 117.00 112.53 1vre n LEU 141 Ca 0.06 -1.42 0.07 0.00 0.00 0.00 0.00 56.01 54.72 1vre n LEU 141 Cb 0.34 -0.49 0.17 0.00 0.00 0.00 0.00 43.42 43.44 1vre n LEU 141 CO 0.32 0.43 0.62 -0.38 0.00 0.00 0.00 177.39 178.39 1vre n ILE 142 N 0.35 0.71 -0.08 1.96 -0.00 -1.24 -3.82 119.36 117.24 1vre n ILE 142 Ca 0.12 -0.86 -0.14 0.00 -0.00 0.00 0.00 62.75 61.88 1vre n ILE 142 Cb 0.58 0.73 -0.14 0.00 -0.00 0.00 0.00 39.64 40.81 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 0.86 1.07 -0.59 4.38 7.64 -1.25 -4.36 113.62 121.37 1vre n SER 143 Ca 0.14 0.07 0.05 0.00 1.01 0.00 0.00 58.87 60.13 1vre n SER 143 Cb 0.46 0.11 0.15 0.00 -1.01 0.00 0.00 64.21 63.91 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 1.90 2.94 0.00 0.23 0.00 -1.26 -4.44 105.19 104.56 1vre n GLY 144 Ca -0.34 -0.41 0.10 0.00 0.00 0.00 0.00 46.02 45.38 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 0.29 0.79 -3.69 0.99 7.94 -1.25 -0.76 117.00 121.30 1vre n LEU 145 Ca 0.11 -0.34 -0.41 0.00 -1.11 0.00 0.00 56.01 54.26 1vre n LEU 145 Cb 0.46 -0.03 0.01 0.00 0.53 0.00 0.00 43.42 44.39 1vre n LEU 145 CO 0.08 0.19 1.53 0.00 -1.11 0.00 0.00 177.39 178.07 1vre n GLN 146 N -1.64 5.10 0.00 1.96 3.00 -1.26 -4.41 117.38 120.14 1vre n GLN 146 Ca 0.03 -4.45 0.00 0.00 -0.01 0.00 0.00 57.00 52.57 1vre n GLN 146 Cb 0.37 -2.51 0.00 0.00 0.00 0.00 0.00 30.24 28.10 1vre n GLN 146 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.06 177.49