#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hru h ASP 7 N 0.00 0.00 0.29 1.62 3.32 -2.05 -3.21 116.42 116.38 3hru h ASP 7 Ca 0.00 0.00 -0.32 0.00 0.02 0.00 0.00 57.03 56.73 3hru h ASP 7 Cb 0.00 0.00 0.03 0.00 0.22 0.00 0.00 39.33 39.58 3hru h ASP 7 CO 0.00 0.00 -1.41 1.88 -1.72 0.00 0.00 179.24 177.99 3hru h TYR 8 N 0.00 0.93 -0.88 4.55 -1.99 -2.04 -3.31 116.97 114.24 3hru h TYR 8 Ca 0.00 -0.66 0.14 0.00 2.00 0.00 0.00 58.73 60.21 3hru h TYR 8 Cb 0.73 -0.04 -0.09 0.00 2.00 0.00 0.00 36.73 39.33 3hru h TYR 8 CO 0.00 1.51 0.48 -0.07 -0.00 0.00 0.00 178.16 180.09 3hru h LEU 9 N 0.16 0.63 -0.65 3.88 3.38 -1.98 0.33 115.31 121.05 3hru h LEU 9 Ca -0.23 0.08 0.14 0.00 0.09 0.00 0.00 57.88 57.96 3hru h LEU 9 Cb 2.10 -0.03 -0.11 0.00 0.09 0.00 0.00 40.66 42.71 3hru h LEU 9 CO 0.26 0.28 -0.02 0.11 0.09 0.00 0.00 178.44 179.16 3hru h LYS 10 N 0.71 0.09 -0.33 1.13 1.57 -1.70 -0.89 116.57 117.15 3hru h LYS 10 Ca 0.47 -0.01 -0.03 0.00 -1.87 0.00 0.00 60.65 59.21 3hru h LYS 10 Cb 0.62 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.89 3hru h LYS 10 CO -0.33 0.06 0.09 0.00 -0.57 0.00 0.00 179.45 178.69 3hru h LEU 12 N 0.37 0.00 0.00 0.00 4.07 0.17 -1.21 115.31 118.72 3hru h LEU 12 Ca 0.10 0.00 -0.04 0.00 0.08 0.00 0.00 57.88 58.02 3hru h LEU 12 Cb 0.28 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 42.02 3hru h LEU 12 CO -0.00 0.03 -0.27 0.22 -1.08 0.00 0.00 178.44 177.35 3hru h TYR 13 N 0.00 0.00 0.12 1.13 5.03 -1.20 -3.26 116.97 118.78 3hru h TYR 13 Ca -0.00 0.00 -0.16 0.00 2.58 0.00 0.00 58.73 61.15 3hru h TYR 13 Cb 0.08 0.00 0.02 0.00 1.55 0.00 0.00 36.73 38.38 3hru h TYR 13 CO 0.00 0.19 -0.70 0.93 -1.32 0.00 0.00 178.16 177.26 3hru h GLU 14 N 0.00 0.27 0.00 1.82 4.39 -1.19 -3.23 114.58 116.64 3hru h GLU 14 Ca -0.01 -0.45 0.00 0.00 0.34 0.00 0.00 59.36 59.25 3hru h GLU 14 Cb 1.15 0.16 0.00 0.00 -0.10 0.00 0.00 28.75 29.96 3hru h GLU 14 CO 0.02 1.21 0.00 1.47 -1.16 0.00 0.00 179.01 180.55 3hru n LEU 15 N -4.19 0.10 -0.27 1.33 -0.00 -1.15 -3.24 117.00 109.57 3hru n LEU 15 Ca -0.13 0.51 -0.00 0.00 -0.00 0.00 0.00 56.01 56.39 3hru n LEU 15 Cb 0.77 -0.49 0.12 0.00 -0.00 0.00 0.00 43.42 43.83 3hru n LEU 15 CO 0.47 -0.12 1.15 1.23 -0.00 0.00 0.00 177.39 180.12 3hru h GLY 16 N 4.03 1.15 -5.07 1.47 0.00 -1.60 -3.41 103.07 99.65 3hru h GLY 16 Ca 0.00 -0.33 -0.12 0.00 0.00 0.00 0.00 47.33 46.88 3hru h GLY 16 CO 0.00 0.22 0.86 2.41 0.00 0.00 0.00 176.54 180.03 3hru n THR 17 N -4.69 1.09 0.00 4.70 -1.04 -1.20 -5.01 114.28 108.12 3hru n THR 17 Ca 0.11 -0.59 0.00 0.00 -2.04 0.00 0.00 64.05 61.52 3hru n THR 17 Cb 0.17 -1.73 0.00 0.00 -1.82 0.00 0.00 70.33 66.95 3hru n THR 17 CO 0.00 0.00 0.00 0.59 -0.64 0.00 0.00 175.07 175.02 3hru n ASN 20 N 3.50 0.00 -3.58 8.00 5.03 -1.26 -5.13 115.26 121.81 3hru n ASN 20 Ca 0.18 0.00 -0.16 0.00 0.87 0.00 0.00 54.58 55.46 3hru n ASN 20 Cb 0.20 0.00 -0.07 0.00 -1.02 0.00 0.00 39.78 38.90 3hru n ASN 20 CO 0.00 0.00 0.00 -0.54 -1.83 0.00 0.00 177.26 174.89 3hru s LYS 21 N 0.00 0.93 -0.10 3.52 1.02 -1.26 -4.79 119.74 119.06 3hru s LYS 21 Ca 0.00 0.46 0.03 0.00 0.02 0.00 0.00 55.97 56.48 3hru s LYS 21 Cb 0.00 0.44 -0.01 0.00 -0.52 0.00 0.00 37.83 37.75 3hru s LYS 21 CO 0.00 -0.24 -0.20 0.42 -0.92 0.00 0.00 175.35 174.41 3hru s ILE 22 N -0.66 2.41 0.15 2.17 -1.09 -1.09 -5.02 121.20 118.07 3hru s ILE 22 Ca -0.07 -0.90 0.09 0.00 -2.23 0.00 0.00 60.65 57.54 3hru s ILE 22 Cb -0.02 -1.95 -0.04 0.00 -1.58 0.00 0.00 42.46 38.87 3hru s ILE 22 CO 0.06 0.55 -0.15 -0.89 -1.23 0.00 0.00 174.94 173.28 3hru s THR 23 N 0.26 2.92 -0.39 2.92 2.01 -1.26 -4.57 115.64 117.53 3hru s THR 23 Ca -0.14 -1.64 0.27 0.00 0.31 0.00 0.00 61.69 60.49 3hru s THR 23 Cb -0.17 -2.39 0.30 0.00 0.01 0.00 0.00 72.50 70.25 3hru s THR 23 CO 0.07 -0.02 1.78 0.78 -0.69 0.00 0.00 174.62 176.55 3hru h ASN 24 N 3.33 0.00 1.38 3.53 -0.26 -2.00 -2.67 115.58 118.88 3hru h ASN 24 Ca -0.48 0.00 -0.08 0.00 -0.56 0.00 0.00 56.30 55.18 3hru h ASN 24 Cb 1.19 0.00 -0.01 0.00 -1.06 0.00 0.00 38.32 38.44 3hru h ASN 24 CO 0.50 0.00 -0.64 0.50 -1.06 0.00 0.00 177.43 176.73 3hru h LYS 25 N 0.00 0.00 0.00 0.81 3.64 -2.00 -3.27 116.57 115.75 3hru h LYS 25 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 3hru h LYS 25 Cb 0.56 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.38 3hru h LYS 25 CO 0.00 0.26 -0.16 0.93 -2.27 0.00 0.00 179.45 178.21 3hru h GLU 26 N 0.00 0.00 -0.16 1.90 5.08 -1.88 -3.34 114.58 116.18 3hru h GLU 26 Ca -0.03 0.00 -0.21 0.00 -1.00 0.00 0.00 59.36 58.12 3hru h GLU 26 Cb 1.27 0.00 0.01 0.00 0.50 0.00 0.00 28.75 30.53 3hru h GLU 26 CO 0.04 0.00 -0.70 0.82 -1.00 0.00 0.00 179.01 178.16 3hru h ILE 27 N 0.00 1.29 -0.71 3.13 2.04 -1.55 -3.25 117.51 118.46 3hru h ILE 27 Ca 0.00 -1.91 0.03 0.00 1.00 0.00 0.00 64.86 63.98 3hru h ILE 27 Cb 0.98 1.97 -0.04 0.00 -0.74 0.00 0.00 36.82 38.99 3hru h ILE 27 CO 0.00 0.60 0.44 0.00 0.00 0.00 0.00 178.15 179.20 3hru h ALA 28 N 0.55 0.93 -0.42 1.87 0.00 -1.66 -3.24 119.26 117.29 3hru h ALA 28 Ca -0.04 -0.02 -0.09 0.00 0.00 0.00 0.00 54.91 54.75 3hru h ALA 28 Cb 1.33 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.88 3hru h ALA 28 CO 0.15 0.22 -0.10 1.96 0.00 0.00 0.00 179.25 181.48 3hru h GLN 29 N 0.87 0.81 -0.01 0.00 4.20 -1.69 1.16 115.11 120.44 3hru h GLN 29 Ca 0.29 -0.31 0.00 0.00 0.06 0.00 0.00 58.65 58.69 3hru h GLN 29 Cb 0.02 -0.05 0.00 0.00 0.30 0.00 0.00 27.48 27.76 3hru h GLN 29 CO -0.11 0.93 -0.04 1.28 -0.67 0.00 0.00 178.83 180.22 3hru n LEU 30 N -4.31 1.46 0.00 1.46 4.32 -1.25 -4.31 117.00 114.37 3hru n LEU 30 Ca -0.01 -0.47 0.00 0.00 -0.02 0.00 0.00 56.01 55.51 3hru n LEU 30 Cb 0.37 -0.02 0.00 0.00 -1.62 0.00 0.00 43.42 42.15 3hru n LEU 30 CO 0.43 0.25 -0.02 0.23 -1.22 0.00 0.00 177.39 177.06 3hru n MET 31 N 0.07 3.04 -2.02 3.23 2.81 -1.16 -5.13 117.12 117.96 3hru n MET 31 Ca 0.18 0.00 -0.02 0.00 -1.81 0.00 0.00 57.70 56.05 3hru n MET 31 Cb 0.36 -0.29 -0.02 0.00 -0.71 0.00 0.00 33.22 32.56 3hru n MET 31 CO 0.00 0.00 0.00 1.04 1.51 0.00 0.00 175.97 178.52 3hru n GLN 32 N -0.10 -3.13 0.00 0.03 3.00 0.40 -5.05 117.38 112.53 3hru n GLN 32 Ca 0.00 2.49 0.00 0.00 -0.01 0.00 0.00 57.00 59.48 3hru n GLN 32 Cb 0.00 -3.39 0.00 0.00 0.00 0.00 0.00 30.24 26.85 3hru n GLN 32 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.06 178.39 3hru n VAL 33 N 1.12 0.00 0.00 5.09 0.24 -1.24 -5.06 118.33 118.48 3hru n VAL 33 Ca -0.14 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.16 3hru n VAL 33 Cb 0.21 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.58 3hru n VAL 33 CO 0.00 0.00 0.00 0.80 -2.14 0.00 0.00 176.83 175.49 3hru n MET 41 N 0.00 0.00 0.00 7.34 0.00 -1.26 -3.74 117.12 119.46 3hru n MET 41 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57.70 57.70 3hru n MET 41 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33.22 33.22 3hru n MET 41 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 175.97 174.64 3hru n MET 42 N 0.00 0.00 0.29 2.12 2.81 -1.26 -1.59 117.12 119.49 3hru n MET 42 Ca 0.00 0.00 0.15 0.00 -1.81 0.00 0.00 57.70 56.04 3hru n MET 42 Cb 0.00 0.00 0.86 0.00 -0.71 0.00 0.00 33.22 33.37 3hru n MET 42 CO 0.00 0.00 0.00 -0.22 1.51 0.00 0.00 175.97 177.26 3hru h LYS 43 N 0.00 0.00 0.06 0.03 3.64 -2.03 0.25 116.57 118.52 3hru h LYS 43 Ca 0.00 0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.38 3hru h LYS 43 Cb 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.82 3hru h LYS 43 CO 0.00 0.06 -0.03 -0.22 -2.27 0.00 0.00 179.45 176.99 3hru h LYS 44 N 0.00 -0.08 -0.70 1.90 3.64 -1.73 -2.67 116.57 116.92 3hru h LYS 44 Ca -0.00 0.01 0.13 0.00 -1.27 0.00 0.00 60.65 59.51 3hru h LYS 44 Cb 0.20 0.02 -0.05 0.00 -0.41 0.00 0.00 32.23 31.99 3hru h LYS 44 CO 0.01 0.51 0.47 -0.07 -2.27 0.00 0.00 179.45 178.10 3hru h LEU 45 N -0.87 0.40 -0.26 5.20 4.07 -1.62 0.13 115.31 122.37 3hru h LEU 45 Ca -0.01 0.02 -0.08 0.00 0.08 0.00 0.00 57.88 57.89 3hru h LEU 45 Cb 0.63 -0.06 -0.01 0.00 1.08 0.00 0.00 40.66 42.29 3hru h LEU 45 CO 0.01 0.22 -0.15 0.25 -1.08 0.00 0.00 178.44 177.70 3hru h LEU 46 N 0.44 0.58 0.00 1.67 7.12 -0.58 -0.96 115.31 123.58 3hru h LEU 46 Ca 0.34 -0.42 -0.19 0.00 0.13 0.00 0.00 57.88 57.74 3hru h LEU 46 Cb 0.72 -0.16 -0.03 0.00 -0.53 0.00 0.00 40.66 40.66 3hru h LEU 46 CO -0.11 0.88 -0.92 0.00 -0.13 0.00 0.00 178.44 178.16 3hru h ALA 47 N 0.72 0.42 -0.07 1.25 0.00 -1.01 -2.00 119.26 118.57 3hru h ALA 47 Ca 0.06 -0.84 0.00 0.00 0.00 0.00 0.00 54.91 54.13 3hru h ALA 47 Cb 0.67 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.33 3hru h ALA 47 CO 0.04 1.14 0.00 0.39 0.00 0.00 0.00 179.25 180.82 3hru n GLU 48 N -3.32 1.17 -3.04 0.00 1.02 0.39 -4.91 120.64 111.95 3hru n GLU 48 Ca -0.00 -0.26 -0.20 0.00 -0.02 0.00 0.00 57.16 56.68 3hru n GLU 48 Cb 0.90 -1.06 0.00 0.00 -0.02 0.00 0.00 31.44 31.27 3hru n GLU 48 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 3hru n GLU 49 N -0.29 -3.33 0.09 3.49 1.02 -0.75 -4.81 120.64 116.05 3hru n GLU 49 Ca 0.02 0.59 0.09 0.00 -0.02 0.00 0.00 57.16 57.85 3hru n GLU 49 Cb 0.06 -5.29 -0.02 0.00 -0.02 0.00 0.00 31.44 26.16 3hru n GLU 49 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 3hru n LEU 50 N -3.52 0.81 -4.09 -4.62 4.77 -0.41 -4.58 117.00 105.37 3hru n LEU 50 Ca -0.07 0.32 -0.10 0.00 -0.03 0.00 0.00 56.01 56.13 3hru n LEU 50 Cb 0.58 -0.03 -0.09 0.00 -2.33 0.00 0.00 43.42 41.55 3hru n LEU 50 CO 0.41 -0.12 -0.19 -1.48 -1.33 0.00 0.00 177.39 174.68 3hru s LEU 51 N -5.40 1.40 0.24 2.23 2.34 -1.19 0.40 118.68 118.71 3hru s LEU 51 Ca -0.01 -1.11 0.02 0.00 0.06 0.00 0.00 54.13 53.09 3hru s LEU 51 Cb 0.10 0.64 -0.05 0.00 -0.56 0.00 0.00 46.19 46.32 3hru s LEU 51 CO 0.80 -0.81 0.07 0.27 -1.06 0.00 0.00 176.35 175.62 3hru s ILE 52 N -4.03 0.65 -0.13 1.48 -4.36 -0.87 -4.53 121.20 109.41 3hru s ILE 52 Ca 0.23 -2.00 -0.08 0.00 -0.26 0.00 0.00 60.65 58.54 3hru s ILE 52 Cb 0.06 -2.51 -0.04 0.00 1.25 0.00 0.00 42.46 41.22 3hru s ILE 52 CO 0.02 -0.13 0.16 -1.59 0.24 0.00 0.00 174.94 173.64 3hru s LYS 53 N -3.99 3.60 0.08 0.37 -2.85 -1.26 -2.78 119.74 112.91 3hru s LYS 53 Ca 0.34 -0.10 0.08 0.00 -1.00 0.00 0.00 55.97 55.29 3hru s LYS 53 Cb 0.07 -3.23 -0.03 0.00 -2.06 0.00 0.00 37.83 32.58 3hru s LYS 53 CO 0.11 0.69 -0.22 0.34 0.10 0.00 0.00 175.35 176.37 3hru s ASP 54 N -0.79 2.65 -0.15 0.03 3.68 -0.76 -4.92 116.67 116.41 3hru s ASP 54 Ca 0.15 -0.62 -0.26 0.00 2.13 0.00 0.00 52.55 53.94 3hru s ASP 54 Cb -0.12 -0.19 -0.23 0.00 -1.45 0.00 0.00 42.92 40.93 3hru s ASP 54 CO 0.04 0.13 0.63 0.07 0.13 0.00 0.00 175.17 176.16 3hru h LYS 55 N 4.42 0.00 -0.93 4.34 2.10 -1.99 -2.21 116.57 122.30 3hru h LYS 55 Ca -0.45 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.20 3hru h LYS 55 Cb 1.17 0.00 -0.05 0.00 -0.90 0.00 0.00 32.23 32.45 3hru h LYS 55 CO 0.41 0.93 0.60 -0.22 -2.00 0.00 0.00 179.45 179.18 3hru h LYS 56 N -1.00 1.25 0.00 0.07 3.64 -1.98 -3.29 116.57 115.25 3hru h LYS 56 Ca -0.06 -0.09 0.00 0.00 -1.27 0.00 0.00 60.65 59.23 3hru h LYS 56 Cb 0.99 -0.27 0.00 0.00 -0.41 0.00 0.00 32.23 32.54 3hru h LYS 56 CO -0.03 0.84 -0.51 0.00 -2.27 0.00 0.00 179.45 177.48 3hru n ALA 57 N -2.37 2.77 0.00 5.00 0.00 -1.26 -4.76 120.51 119.89 3hru n ALA 57 Ca 0.10 -0.19 0.00 0.00 0.00 0.00 0.00 53.44 53.36 3hru n ALA 57 Cb 0.03 -0.25 0.00 0.00 0.00 0.00 0.00 19.45 19.23 3hru n ALA 57 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3hru n GLY 58 N 1.34 2.07 2.85 0.00 0.00 -0.83 -2.66 105.19 107.96 3hru n GLY 58 Ca 0.01 -0.34 -0.15 0.00 0.00 0.00 0.00 46.02 45.53 3hru n GLY 58 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3hru s TYR 59 N 0.00 -0.11 -0.07 1.61 1.51 -1.26 -1.83 117.35 117.20 3hru s TYR 59 Ca 0.00 0.42 0.02 0.00 -1.01 0.00 0.00 57.07 56.50 3hru s TYR 59 Cb 0.00 -0.19 -0.02 0.00 -0.11 0.00 0.00 41.96 41.64 3hru s TYR 59 CO 0.00 -0.17 -0.12 -0.51 -1.11 0.00 0.00 175.55 173.64 3hru s LEU 60 N 1.47 2.85 0.10 -1.29 1.43 -1.12 -4.93 118.68 117.20 3hru s LEU 60 Ca -0.05 -0.18 -0.30 0.00 -1.03 0.00 0.00 54.13 52.56 3hru s LEU 60 Cb -0.12 -1.61 -0.06 0.00 0.03 0.00 0.00 46.19 44.43 3hru s LEU 60 CO -0.05 0.31 1.12 -0.76 0.23 0.00 0.00 176.35 177.19 3hru s LEU 61 N -0.49 4.42 1.06 1.79 1.43 -1.26 -2.05 118.68 123.59 3hru s LEU 61 Ca 0.07 1.99 -0.15 0.00 -1.03 0.00 0.00 54.13 55.00 3hru s LEU 61 Cb -0.12 -3.59 0.22 0.00 0.03 0.00 0.00 46.19 42.73 3hru s LEU 61 CO 0.02 -0.32 1.13 0.42 0.23 0.00 0.00 176.35 177.83 3hru s THR 62 N 0.46 1.85 0.45 5.49 -4.23 0.16 -4.72 115.64 115.11 3hru s THR 62 Ca 0.53 0.00 0.26 0.00 -1.18 0.00 0.00 61.69 61.30 3hru s THR 62 Cb -0.28 -2.58 0.29 0.00 1.34 0.00 0.00 72.50 71.27 3hru s THR 62 CO 0.31 0.00 2.09 -0.78 -0.54 0.00 0.00 174.62 175.71 3hru h ASP 63 N -2.08 0.00 -0.51 3.99 1.82 -1.88 -0.92 116.42 116.84 3hru h ASP 63 Ca -0.49 0.00 -0.07 0.00 -0.39 0.00 0.00 57.03 56.08 3hru h ASP 63 Cb 1.31 0.00 -0.02 0.00 0.68 0.00 0.00 39.33 41.30 3hru h ASP 63 CO 0.48 0.11 0.06 0.25 -1.61 0.00 0.00 179.24 178.53 3hru h LEU 64 N 0.00 0.83 0.00 2.28 5.85 -1.84 -2.90 115.31 119.53 3hru h LEU 64 Ca -0.00 -0.27 0.00 0.00 0.84 0.00 0.00 57.88 58.45 3hru h LEU 64 Cb 0.28 -0.22 0.00 0.00 0.37 0.00 0.00 40.66 41.08 3hru h LEU 64 CO 0.01 0.90 0.00 0.61 -0.34 0.00 0.00 178.44 179.62 3hru n GLY 65 N -0.49 -2.55 0.27 3.75 0.00 -0.40 -2.40 105.19 103.37 3hru n GLY 65 Ca 0.01 0.09 0.13 0.00 0.00 0.00 0.00 46.02 46.25 3hru n GLY 65 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3hru n LEU 66 N -0.30 0.00 -0.03 0.99 4.77 -0.90 0.12 117.00 121.65 3hru n LEU 66 Ca 0.00 0.39 -0.01 0.00 -0.03 0.00 0.00 56.01 56.35 3hru n LEU 66 Cb 0.00 -0.12 -0.01 0.00 -2.33 0.00 0.00 43.42 40.96 3hru n LEU 66 CO 0.00 -0.39 0.04 0.11 -1.33 0.00 0.00 177.39 175.82 3hru h LYS 67 N 0.00 -0.06 -0.98 3.23 1.79 -1.52 -0.32 116.57 118.71 3hru h LYS 67 Ca 0.24 0.00 0.32 0.00 -2.18 0.00 0.00 60.65 59.03 3hru h LYS 67 Cb 1.51 0.01 -0.15 0.00 -1.58 0.00 0.00 32.23 32.01 3hru h LYS 67 CO -0.00 -0.00 0.49 1.25 -1.08 0.00 0.00 179.45 180.11 3hru h LEU 68 N -1.01 0.37 0.24 2.94 6.46 0.13 -0.01 115.31 124.42 3hru h LEU 68 Ca -0.01 0.21 -0.33 0.00 -0.12 0.00 0.00 57.88 57.63 3hru h LEU 68 Cb 0.08 0.19 0.03 0.00 -0.73 0.00 0.00 40.66 40.23 3hru h LEU 68 CO 0.01 -0.19 -1.47 0.58 -0.62 0.00 0.00 178.44 176.75 3hru h VAL 69 N 0.25 1.25 0.00 1.05 2.07 -1.46 -3.15 116.25 116.26 3hru h VAL 69 Ca 0.72 -2.65 0.00 0.00 0.82 0.00 0.00 66.70 65.58 3hru h VAL 69 Cb 1.66 3.02 0.00 0.00 -1.52 0.00 0.00 31.29 34.44 3hru h VAL 69 CO -0.65 0.81 0.00 -0.24 0.02 0.00 0.00 177.57 177.51 3hru n SER 70 N -3.74 0.59 0.14 0.57 2.88 -0.13 -1.53 113.62 112.40 3hru n SER 70 Ca -0.18 0.70 -0.24 0.00 -1.33 0.00 0.00 58.87 57.82 3hru n SER 70 Cb 1.08 -0.81 -0.16 0.00 -0.75 0.00 0.00 64.21 63.57 3hru n SER 70 CO 0.00 0.00 0.00 -0.78 -1.23 0.00 0.00 175.04 173.03 3hru h ASP 71 N 0.00 0.82 -0.89 -3.46 1.82 -1.05 -3.05 116.42 110.61 3hru h ASP 71 Ca 0.00 -0.89 0.01 0.00 -0.39 0.00 0.00 57.03 55.77 3hru h ASP 71 Cb 0.18 -0.27 -0.05 0.00 0.68 0.00 0.00 39.33 39.88 3hru h ASP 71 CO 0.00 1.70 0.59 -0.07 -1.61 0.00 0.00 179.24 179.84 3hru h LEU 72 N 0.14 1.01 -0.65 2.28 3.38 -1.24 0.10 115.31 120.33 3hru h LEU 72 Ca -0.25 -0.02 -0.15 0.00 0.09 0.00 0.00 57.88 57.55 3hru h LEU 72 Cb 2.16 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 42.65 3hru h LEU 72 CO 0.27 0.72 -0.62 1.88 0.09 0.00 0.00 178.44 180.79 3hru h TYR 73 N 1.19 0.26 0.21 1.13 0.99 -1.53 -0.23 116.97 118.99 3hru h TYR 73 Ca 0.33 -0.10 -0.01 0.00 2.00 0.00 0.00 58.73 60.95 3hru h TYR 73 Cb -0.11 -0.05 0.00 0.00 1.00 0.00 0.00 36.73 37.57 3hru h TYR 73 CO -0.00 0.76 -0.10 -0.09 -0.00 0.00 0.00 178.16 178.73 3hru h ARG 74 N 0.15 -0.27 -0.38 4.88 2.43 -1.30 0.34 114.38 120.24 3hru h ARG 74 Ca -0.01 0.02 0.06 0.00 -0.81 0.00 0.00 59.98 59.24 3hru h ARG 74 Cb 1.12 0.06 -0.05 0.00 -0.42 0.00 0.00 29.97 30.68 3hru h ARG 74 CO 0.09 0.04 0.06 -0.22 -1.51 0.00 0.00 179.97 178.43 3hru h LYS 75 N -0.60 0.17 -0.29 0.20 3.64 -0.73 -1.06 116.57 117.90 3hru h LYS 75 Ca -0.03 -0.01 -0.05 0.00 -1.27 0.00 0.00 60.65 59.30 3hru h LYS 75 Cb 0.44 -0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 32.21 3hru h LYS 75 CO 0.05 0.11 0.00 1.25 -2.27 0.00 0.00 179.45 178.59 3hru h HIS 76 N 0.17 0.56 -0.07 1.91 2.76 -0.97 -2.41 115.15 117.10 3hru h HIS 76 Ca 0.18 -0.10 -0.16 0.00 -2.20 0.00 0.00 60.37 58.09 3hru h HIS 76 Cb 0.22 -0.15 -0.01 0.00 1.55 0.00 0.00 27.41 29.03 3hru h HIS 76 CO -0.21 0.65 -0.67 0.00 -1.30 0.00 0.00 177.93 176.40 3hru h ARG 77 N 0.31 0.28 0.03 5.26 3.08 -0.01 -1.54 114.38 121.79 3hru h ARG 77 Ca 0.08 -0.22 -0.00 0.00 0.07 0.00 0.00 59.98 59.92 3hru h ARG 77 Cb 0.43 0.04 0.00 0.00 0.08 0.00 0.00 29.97 30.52 3hru h ARG 77 CO 0.01 0.85 -0.02 -0.07 -1.07 0.00 0.00 179.97 179.68 3hru h LEU 78 N 0.20 -0.04 -1.05 3.04 3.38 -1.18 -0.95 115.31 118.71 3hru h LEU 78 Ca -0.02 -0.29 0.24 0.00 0.09 0.00 0.00 57.88 57.90 3hru h LEU 78 Cb 1.21 0.01 -0.12 0.00 0.09 0.00 0.00 40.66 41.85 3hru h LEU 78 CO 0.11 0.27 0.61 0.40 0.09 0.00 0.00 178.44 179.91 3hru h ILE 79 N -0.35 0.56 -0.42 1.22 1.08 -1.39 0.93 117.51 119.14 3hru h ILE 79 Ca -0.00 -0.20 -0.14 0.00 -0.39 0.00 0.00 64.86 64.13 3hru h ILE 79 Cb 0.33 -0.08 -0.01 0.00 -3.07 0.00 0.00 36.82 33.99 3hru h ILE 79 CO 0.01 0.11 -0.27 -0.08 -0.69 0.00 0.00 178.15 177.23 3hru h GLU 80 N 0.59 0.93 -0.32 2.37 4.81 -0.83 0.30 114.58 122.43 3hru h GLU 80 Ca 0.63 -0.44 -0.05 0.00 -0.13 0.00 0.00 59.36 59.37 3hru h GLU 80 Cb 1.20 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 30.56 3hru h GLU 80 CO -0.44 1.09 0.00 0.28 -0.73 0.00 0.00 179.01 179.22 3hru h VAL 81 N 0.76 1.26 0.29 0.32 2.07 0.23 -0.34 116.25 120.85 3hru h VAL 81 Ca 0.09 -0.95 -0.01 0.00 0.82 0.00 0.00 66.70 66.64 3hru h VAL 81 Cb 0.85 1.24 0.00 0.00 -1.52 0.00 0.00 31.29 31.87 3hru h VAL 81 CO 0.07 0.31 -0.14 0.15 0.02 0.00 0.00 177.57 177.99 3hru h PHE 82 N 0.37 -0.36 -0.53 1.57 3.57 -0.64 0.15 116.94 121.06 3hru h PHE 82 Ca 0.09 -0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.57 3hru h PHE 82 Cb 0.44 0.12 -0.03 0.00 2.79 0.00 0.00 35.95 39.28 3hru h PHE 82 CO 0.04 -0.21 0.27 -0.07 -2.23 0.00 0.00 178.31 176.10 3hru h LEU 83 N -0.41 0.66 0.00 0.59 3.38 -0.87 -0.76 115.31 117.89 3hru h LEU 83 Ca -0.04 -0.05 -0.01 0.00 0.09 0.00 0.00 57.88 57.86 3hru h LEU 83 Cb 0.31 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 40.89 3hru h LEU 83 CO 0.07 0.55 -0.12 0.58 0.09 0.00 0.00 178.44 179.61 3hru h VAL 84 N 0.75 0.63 -0.38 1.22 2.07 -0.74 -2.03 116.25 117.76 3hru h VAL 84 Ca 0.19 -1.50 -0.07 0.00 0.82 0.00 0.00 66.70 66.14 3hru h VAL 84 Cb 0.06 1.21 -0.02 0.00 -1.52 0.00 0.00 31.29 31.02 3hru h VAL 84 CO -0.03 0.21 -0.06 0.45 0.02 0.00 0.00 177.57 178.17 3hru h HIS 85 N -1.00 0.68 0.00 1.57 3.86 -0.75 -3.13 115.15 116.38 3hru h HIS 85 Ca -0.02 -0.10 -0.02 0.00 -1.16 0.00 0.00 60.37 59.08 3hru h HIS 85 Cb 0.44 -0.19 -0.00 0.00 1.06 0.00 0.00 27.41 28.72 3hru h HIS 85 CO 0.08 0.68 -1.17 0.72 0.86 0.00 0.00 177.93 179.10 3hru n HIS 86 N -4.22 0.00 0.53 2.45 8.25 -0.31 -4.56 115.22 117.36 3hru n HIS 86 Ca 0.02 0.00 0.10 0.00 -0.26 0.00 0.00 57.72 57.58 3hru n HIS 86 Cb 0.30 -0.10 0.14 0.00 1.12 0.00 0.00 29.99 31.46 3hru n HIS 86 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 3hru n LEU 87 N -1.77 2.99 0.00 2.41 4.77 -1.09 -4.96 117.00 119.35 3hru n LEU 87 Ca -0.02 -1.27 0.00 0.00 -0.03 0.00 0.00 56.01 54.69 3hru n LEU 87 Cb 0.25 -0.12 0.00 0.00 -2.33 0.00 0.00 43.42 41.22 3hru n LEU 87 CO 0.07 0.59 0.00 0.61 -1.33 0.00 0.00 177.39 177.33 3hru n GLY 88 N 1.22 1.37 3.31 -0.72 0.00 -1.18 -4.97 105.19 104.21 3hru n GLY 88 Ca 0.15 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.79 3hru n GLY 88 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3hru n TYR 89 N -2.00 -2.31 -4.18 1.61 4.02 -0.77 -4.97 117.16 108.55 3hru n TYR 89 Ca 0.00 0.36 -0.27 0.00 -0.01 0.00 0.00 57.90 57.98 3hru n TYR 89 Cb 0.00 -1.76 -0.06 0.00 -0.02 0.00 0.00 39.34 37.51 3hru n TYR 89 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 176.86 176.80 3hru s THR 90 N -1.93 1.91 0.45 -0.72 -4.23 -1.26 -4.71 115.64 105.15 3hru s THR 90 Ca 0.59 -1.70 0.14 0.00 -1.18 0.00 0.00 61.69 59.54 3hru s THR 90 Cb -0.41 -2.61 0.19 0.00 1.34 0.00 0.00 72.50 71.01 3hru s THR 90 CO 0.64 0.00 2.00 0.71 -0.54 0.00 0.00 174.62 177.43 3hru h THR 91 N 1.23 1.12 -0.44 3.99 1.35 -2.00 -1.37 112.91 116.79 3hru h THR 91 Ca -0.41 -0.57 -0.14 0.00 -0.55 0.00 0.00 66.41 64.74 3hru h THR 91 Cb 1.28 1.26 -0.01 0.00 -1.73 0.00 0.00 68.15 68.95 3hru h THR 91 CO 0.67 0.17 -0.27 -0.08 -0.25 0.00 0.00 175.52 175.76 3hru h GLU 92 N 0.05 0.96 -0.00 4.72 4.81 -1.99 -2.83 114.58 120.29 3hru h GLU 92 Ca 0.01 -0.45 -0.22 0.00 -0.13 0.00 0.00 59.36 58.57 3hru h GLU 92 Cb 0.28 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.65 3hru h GLU 92 CO 0.02 1.11 -0.92 0.93 -0.73 0.00 0.00 179.01 179.42 3hru h GLU 93 N 0.80 0.38 -0.17 1.92 5.08 -1.67 -2.28 114.58 118.64 3hru h GLU 93 Ca 0.09 -0.40 -0.07 0.00 -1.00 0.00 0.00 59.36 57.98 3hru h GLU 93 Cb 0.86 0.11 -0.01 0.00 0.50 0.00 0.00 28.75 30.21 3hru h GLU 93 CO 0.08 1.08 -0.19 0.82 -1.00 0.00 0.00 179.01 179.79 3hru h ILE 94 N 0.22 1.22 -0.65 3.13 2.04 -1.47 0.14 117.51 122.14 3hru h ILE 94 Ca -0.07 -1.00 -0.00 0.00 1.00 0.00 0.00 64.86 64.79 3hru h ILE 94 Cb 1.55 1.31 -0.03 0.00 -0.74 0.00 0.00 36.82 38.91 3hru h ILE 94 CO 0.16 0.31 0.40 -0.74 0.00 0.00 0.00 178.15 178.28 3hru h HIS 95 N 0.26 0.85 0.40 1.37 2.76 -1.18 -2.58 115.15 117.04 3hru h HIS 95 Ca 0.05 0.00 -0.02 0.00 -2.20 0.00 0.00 60.37 58.20 3hru h HIS 95 Cb 0.50 -0.28 0.00 0.00 1.55 0.00 0.00 27.41 29.18 3hru h HIS 95 CO 0.01 0.57 -0.19 0.93 -1.30 0.00 0.00 177.93 177.95 3hru h GLU 96 N 0.88 -0.52 0.00 5.26 5.08 -0.79 -3.42 114.58 121.07 3hru h GLU 96 Ca 0.23 0.04 -0.24 0.00 -1.00 0.00 0.00 59.36 58.39 3hru h GLU 96 Cb -0.04 0.12 -0.04 0.00 0.50 0.00 0.00 28.75 29.29 3hru h GLU 96 CO -0.05 -0.35 -1.59 0.39 -1.00 0.00 0.00 179.01 176.41 3hru n GLU 97 N -4.94 0.63 -0.26 2.33 1.02 0.41 -4.61 120.64 115.21 3hru n GLU 97 Ca -0.07 0.26 -0.05 0.00 -0.02 0.00 0.00 57.16 57.27 3hru n GLU 97 Cb 0.21 -1.79 0.05 0.00 -0.02 0.00 0.00 31.44 29.89 3hru n GLU 97 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3hru h ALA 98 N 1.19 0.90 0.00 0.62 0.00 -1.63 -2.63 119.26 117.72 3hru h ALA 98 Ca -0.24 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.58 3hru h ALA 98 Cb 1.82 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 19.33 3hru h ALA 98 CO 0.06 0.39 0.00 1.05 0.00 0.00 0.00 179.25 180.76 3hru h GLU 99 N 0.97 0.00 0.01 0.00 4.11 -1.82 -1.68 114.58 116.18 3hru h GLU 99 Ca 0.25 0.00 -0.23 0.00 0.07 0.00 0.00 59.36 59.45 3hru h GLU 99 Cb -0.00 0.00 0.02 0.00 0.50 0.00 0.00 28.75 29.27 3hru h GLU 99 CO -0.04 0.00 -0.92 -0.39 0.07 0.00 0.00 179.01 177.73 3hru h VAL 100 N 0.00 1.33 0.00 -1.06 -1.51 -1.75 -2.78 116.25 110.47 3hru h VAL 100 Ca 0.00 -2.21 -0.10 0.00 -1.23 0.00 0.00 66.70 63.16 3hru h VAL 100 Cb 0.81 2.49 -0.02 0.00 -2.13 0.00 0.00 31.29 32.45 3hru h VAL 100 CO 0.00 0.67 -1.07 0.17 -1.23 0.00 0.00 177.57 176.11 3hru h LEU 101 N 0.21 0.00 -1.41 4.19 -0.00 -1.58 -2.71 115.31 114.02 3hru h LEU 101 Ca -0.12 0.00 0.16 0.00 -0.00 0.00 0.00 57.88 57.92 3hru h LEU 101 Cb 1.59 0.00 -0.06 0.00 -0.00 0.00 0.00 40.66 42.19 3hru h LEU 101 CO 0.18 0.36 0.56 -0.08 -0.00 0.00 0.00 178.44 179.46 3hru h GLU 102 N 0.00 0.54 -0.00 0.17 4.81 -1.35 0.15 114.58 118.89 3hru h GLU 102 Ca -0.08 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.12 3hru h GLU 102 Cb 1.35 -0.12 0.00 0.00 0.63 0.00 0.00 28.75 30.61 3hru h GLU 102 CO 0.03 0.36 -0.51 0.72 -0.73 0.00 0.00 179.01 178.88 3hru n HIS 103 N -4.53 0.00 -0.11 0.92 8.25 -1.05 -4.30 115.22 114.39 3hru n HIS 103 Ca 0.17 0.00 -0.25 0.00 -0.26 0.00 0.00 57.72 57.38 3hru n HIS 103 Cb 0.53 -0.21 -0.11 0.00 1.12 0.00 0.00 29.99 31.32 3hru n HIS 103 CO 0.00 0.00 0.00 2.41 0.64 0.00 0.00 176.34 179.39 3hru n THR 104 N -1.36 1.55 -1.69 1.59 -1.04 -0.54 -4.98 114.28 107.81 3hru n THR 104 Ca 0.06 -0.26 -0.44 0.00 -2.04 0.00 0.00 64.05 61.38 3hru n THR 104 Cb 0.34 -1.91 -0.04 0.00 -1.82 0.00 0.00 70.33 66.90 3hru n THR 104 CO 0.00 0.00 0.00 1.33 -0.64 0.00 0.00 175.07 175.76 3hru n VAL 105 N -4.21 0.25 -0.59 12.58 0.24 0.41 -4.98 118.33 122.02 3hru n VAL 105 Ca -0.42 -0.04 -0.29 0.00 -2.04 0.00 0.00 64.34 61.54 3hru n VAL 105 Cb 0.81 -1.92 0.23 0.00 -1.47 0.00 0.00 33.84 31.49 3hru n VAL 105 CO 0.00 0.00 0.00 -0.94 -2.14 0.00 0.00 176.83 173.75 3hru s SER 106 N 2.21 1.40 0.40 -1.34 1.04 -1.26 -4.85 113.70 111.30 3hru s SER 106 Ca 0.81 1.67 0.09 0.00 0.48 0.00 0.00 55.95 59.00 3hru s SER 106 Cb -0.56 -2.36 0.82 0.00 0.10 0.00 0.00 66.02 64.02 3hru s SER 106 CO 0.38 -3.96 1.95 0.44 0.98 0.00 0.00 173.24 173.04 3hru h ASP 107 N -2.46 0.26 -0.15 7.02 3.45 -1.99 -2.54 116.42 120.02 3hru h ASP 107 Ca -0.57 -0.04 0.00 0.00 0.43 0.00 0.00 57.03 56.85 3hru h ASP 107 Cb 1.32 -0.07 -0.01 0.00 -0.56 0.00 0.00 39.33 40.01 3hru h ASP 107 CO 0.48 0.36 0.09 -0.74 -1.57 0.00 0.00 179.24 177.86 3hru h HIS 108 N 0.28 0.16 -0.22 4.55 2.76 -1.99 0.26 115.15 120.95 3hru h HIS 108 Ca 0.06 0.01 0.06 0.00 -2.20 0.00 0.00 60.37 58.29 3hru h HIS 108 Cb 0.27 -0.05 -0.06 0.00 1.55 0.00 0.00 27.41 29.12 3hru h HIS 108 CO 0.00 0.10 -0.18 0.35 -1.30 0.00 0.00 177.93 176.91 3hru h PHE 109 N 0.18 -0.45 -0.62 5.26 3.57 -1.86 -0.81 116.94 122.21 3hru h PHE 109 Ca 0.06 0.03 -0.05 0.00 3.53 0.00 0.00 57.97 61.54 3hru h PHE 109 Cb -0.01 0.23 -0.03 0.00 2.79 0.00 0.00 35.95 38.94 3hru h PHE 109 CO -0.08 -0.25 0.19 0.28 -2.23 0.00 0.00 178.31 176.22 3hru h VAL 110 N -0.18 1.24 -0.78 1.41 2.07 -1.03 0.97 116.25 119.95 3hru h VAL 110 Ca 0.13 -0.82 -0.02 0.00 0.82 0.00 0.00 66.70 66.81 3hru h VAL 110 Cb 0.37 0.55 -0.04 0.00 -1.52 0.00 0.00 31.29 30.66 3hru h VAL 110 CO -0.33 0.31 0.40 -0.33 0.02 0.00 0.00 177.57 177.65 3hru h GLU 111 N 0.92 1.10 0.10 1.57 3.07 0.36 -1.04 114.58 120.66 3hru h GLU 111 Ca 0.21 -0.14 -0.28 0.00 -0.50 0.00 0.00 59.36 58.65 3hru h GLU 111 Cb 0.27 -0.21 -0.01 0.00 -0.84 0.00 0.00 28.75 27.96 3hru h GLU 111 CO -0.01 0.82 -1.36 0.00 -1.40 0.00 0.00 179.01 177.06 3hru h ARG 112 N 1.10 0.21 -0.97 2.33 2.47 -0.36 -2.96 114.38 116.19 3hru h ARG 112 Ca 0.27 -0.35 0.08 0.00 -1.26 0.00 0.00 59.98 58.72 3hru h ARG 112 Cb 0.06 0.13 -0.07 0.00 -1.65 0.00 0.00 29.97 28.45 3hru h ARG 112 CO -0.04 1.10 0.62 1.25 0.56 0.00 0.00 179.97 183.46 3hru h LEU 113 N 0.06 0.96 -1.22 3.04 6.46 -0.74 0.16 115.31 124.01 3hru h LEU 113 Ca -0.17 0.02 -0.03 0.00 -0.12 0.00 0.00 57.88 57.57 3hru h LEU 113 Cb 1.97 -0.18 -0.02 0.00 -0.73 0.00 0.00 40.66 41.69 3hru h LEU 113 CO 0.17 0.59 0.17 -0.78 -0.62 0.00 0.00 178.44 177.96 3hru h ASP 114 N 1.07 0.65 0.53 1.25 3.58 -1.03 -1.20 116.42 121.27 3hru h ASP 114 Ca 0.43 -0.08 -0.29 0.00 0.42 0.00 0.00 57.03 57.51 3hru h ASP 114 Cb 0.27 -0.17 0.00 0.00 1.72 0.00 0.00 39.33 41.16 3hru h ASP 114 CO -0.19 0.61 -1.37 -0.61 -2.88 0.00 0.00 179.24 174.80 3hru h GLN 115 N 0.70 0.29 -0.00 0.28 4.15 -1.05 0.93 115.11 120.41 3hru h GLN 115 Ca 0.17 -0.50 -0.00 0.00 0.77 0.00 0.00 58.65 59.08 3hru h GLN 115 Cb 0.18 0.19 -0.00 0.00 0.21 0.00 0.00 27.48 28.06 3hru h GLN 115 CO -0.01 1.21 0.00 1.25 -1.93 0.00 0.00 178.83 179.35 3hru h LEU 116 N 0.08 0.00 0.00 -2.39 5.85 -0.37 -1.73 115.31 116.75 3hru h LEU 116 Ca -0.19 -0.05 0.00 0.00 0.84 0.00 0.00 57.88 58.48 3hru h LEU 116 Cb 2.01 -0.00 0.00 0.00 0.37 0.00 0.00 40.66 43.04 3hru h LEU 116 CO 0.20 0.05 0.00 0.18 -0.34 0.00 0.00 178.44 178.53 3hru n LEU 117 N -5.06 0.00 -3.23 2.25 4.77 -0.49 -4.87 117.00 110.37 3hru n LEU 117 Ca -0.07 0.00 -0.19 0.00 -0.03 0.00 0.00 56.01 55.72 3hru n LEU 117 Cb 0.05 0.00 0.08 0.00 -2.33 0.00 0.00 43.42 41.22 3hru n LEU 117 CO 0.33 0.00 0.17 -0.67 -1.33 0.00 0.00 177.39 175.89 3hru n ASP 118 N -0.97 -4.16 -3.40 -1.43 2.03 -0.65 -3.94 116.55 104.02 3hru n ASP 118 Ca 0.15 -0.52 -0.19 0.00 0.52 0.00 0.00 54.79 54.75 3hru n ASP 118 Cb 0.07 -4.60 0.06 0.00 -0.72 0.00 0.00 41.12 35.93 3hru n ASP 118 CO 0.00 0.00 0.00 -1.22 -1.92 0.00 0.00 177.20 174.06 3hru n TYR 119 N -4.32 -2.27 -2.09 -0.67 4.02 0.29 -4.91 117.16 107.21 3hru n TYR 119 Ca -0.11 0.78 -0.39 0.00 -0.01 0.00 0.00 57.90 58.16 3hru n TYR 119 Cb 0.60 -4.10 -0.00 0.00 -0.02 0.00 0.00 39.34 35.81 3hru n TYR 119 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 176.86 174.60 3hru s PRO 120 N -4.98 3.85 0.07 -0.72 0.04 -1.25 -4.92 135.00 127.08 3hru s PRO 120 Ca 0.38 2.06 0.15 0.00 0.04 0.00 0.00 61.00 63.62 3hru s PRO 120 Cb -0.07 -2.63 -0.14 0.00 0.04 0.00 0.00 34.50 31.70 3hru s PRO 120 CO 0.77 -0.55 0.88 0.87 0.04 0.00 0.00 177.00 179.01 3hru h LYS 121 N 2.44 0.00 -5.87 4.56 1.57 -1.91 -3.44 116.57 113.92 3hru h LYS 121 Ca -0.50 0.00 -0.51 0.00 -1.87 0.00 0.00 60.65 57.78 3hru h LYS 121 Cb 1.25 0.00 -0.21 0.00 0.08 0.00 0.00 32.23 33.35 3hru h LYS 121 CO 0.62 0.38 -0.80 0.00 -0.57 0.00 0.00 179.45 179.07 3hru s ALA 122 N -2.86 1.64 1.07 3.86 0.00 -1.26 -1.23 121.76 122.98 3hru s ALA 122 Ca -0.02 -1.21 -0.18 0.00 0.00 0.00 0.00 51.96 50.55 3hru s ALA 122 Cb 0.08 -0.19 0.25 0.00 0.00 0.00 0.00 23.12 23.26 3hru s ALA 122 CO 0.81 0.28 1.27 0.00 0.00 0.00 0.00 175.76 178.11 3hru h PRO 124 N -2.06 0.00 -0.59 0.00 0.11 -1.89 -3.05 132.00 124.53 3hru h PRO 124 Ca -0.44 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.67 3hru h PRO 124 Cb 1.24 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.35 3hru h PRO 124 CO 0.33 0.24 0.00 0.72 -0.21 0.00 0.00 178.00 179.07 3hru n HIS 125 N -3.62 0.64 -0.27 0.65 8.25 -1.26 -4.88 115.22 114.72 3hru n HIS 125 Ca -0.01 -0.25 0.00 0.00 -0.26 0.00 0.00 57.72 57.20 3hru n HIS 125 Cb 0.37 -0.14 0.00 0.00 1.12 0.00 0.00 29.99 31.33 3hru n HIS 125 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3hru n GLY 126 N 0.58 1.31 3.76 -1.41 0.00 -1.15 -1.12 105.19 107.16 3hru n GLY 126 Ca 0.11 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.72 3hru n GLY 126 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3hru s GLY 127 N -1.81 2.85 0.46 -0.02 0.00 -1.26 -4.74 107.32 102.80 3hru s GLY 127 Ca 0.00 1.13 -0.22 0.00 0.00 0.00 0.00 44.72 45.63 3hru s GLY 127 CO 0.00 1.86 1.07 -1.59 0.00 0.00 0.00 173.10 174.45 3hru s THR 128 N -0.76 3.58 -0.60 0.90 2.01 -1.26 -0.24 115.64 119.27 3hru s THR 128 Ca 0.50 1.08 0.01 0.00 0.31 0.00 0.00 61.69 63.59 3hru s THR 128 Cb -0.37 -3.49 0.15 0.00 0.01 0.00 0.00 72.50 68.80 3hru s THR 128 CO 0.46 -0.12 0.39 -0.63 -0.69 0.00 0.00 174.62 174.02 3hru s ILE 129 N -1.79 3.20 0.21 1.82 1.01 -0.36 -4.82 121.20 120.46 3hru s ILE 129 Ca 0.65 -3.29 -0.32 0.00 0.00 0.00 0.00 60.65 57.69 3hru s ILE 129 Cb -0.21 -3.13 -0.14 0.00 0.01 0.00 0.00 42.46 38.99 3hru s ILE 129 CO 0.25 -0.87 1.36 -0.81 0.00 0.00 0.00 174.94 174.87 3hru n PRO 130 N 3.12 1.78 -0.80 2.79 -0.04 -1.26 -4.88 135.00 135.71 3hru n PRO 130 Ca 0.08 0.64 -0.32 0.00 -0.04 0.00 0.00 63.50 63.86 3hru n PRO 130 Cb 0.35 -2.26 0.14 0.00 -0.04 0.00 0.00 33.50 31.68 3hru n PRO 130 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3hru n ALA 131 N 1.98 -1.74 -1.77 0.55 0.00 -1.26 -4.81 120.51 113.45 3hru n ALA 131 Ca 0.13 -0.55 -0.40 0.00 0.00 0.00 0.00 53.44 52.61 3hru n ALA 131 Cb 0.29 -1.97 0.00 0.00 0.00 0.00 0.00 19.45 17.77 3hru n ALA 131 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 3hru s LYS 132 N -3.98 3.98 0.00 0.00 2.20 -1.26 -1.96 119.74 118.72 3hru s LYS 132 Ca 0.62 2.46 0.00 0.00 -0.36 0.00 0.00 55.97 58.69 3hru s LYS 132 Cb -0.23 -2.86 0.00 0.00 -1.51 0.00 0.00 37.83 33.23 3hru s LYS 132 CO 0.62 -0.60 0.00 0.41 -0.36 0.00 0.00 175.35 175.43 3hru n GLY 133 N 0.54 0.30 3.89 5.54 0.00 -1.26 -4.94 105.19 109.25 3hru n GLY 133 Ca 0.02 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.83 3hru n GLY 133 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3hru s GLU 134 N -0.73 2.50 -0.00 1.61 2.12 -0.83 -5.07 118.70 118.31 3hru s GLU 134 Ca 0.00 -1.58 -0.01 0.00 0.36 0.00 0.00 54.97 53.74 3hru s GLU 134 Cb 0.00 -2.37 -0.04 0.00 0.26 0.00 0.00 34.13 31.98 3hru s GLU 134 CO 0.00 -0.26 0.10 -1.17 -0.54 0.00 0.00 175.26 173.39 3hru s LEU 135 N -4.17 4.00 -0.32 2.70 2.96 -1.26 -4.76 118.68 117.84 3hru s LEU 135 Ca 0.48 0.18 -0.29 0.00 -0.22 0.00 0.00 54.13 54.28 3hru s LEU 135 Cb -0.03 -2.36 0.01 0.00 0.50 0.00 0.00 46.19 44.31 3hru s LEU 135 CO 0.28 0.26 1.18 -0.22 -1.32 0.00 0.00 176.35 176.53 3hru s LEU 136 N -1.82 3.90 -0.29 -0.68 2.96 -1.26 -4.86 118.68 116.63 3hru s LEU 136 Ca 0.24 1.09 -0.01 0.00 -0.22 0.00 0.00 54.13 55.24 3hru s LEU 136 Cb -0.12 -3.54 0.09 0.00 0.50 0.00 0.00 46.19 43.12 3hru s LEU 136 CO 0.15 -0.98 0.07 -0.69 -1.32 0.00 0.00 176.35 173.58 3hru s VAL 137 N 3.99 0.97 0.13 1.68 1.01 -1.26 -5.09 120.40 121.83 3hru s VAL 137 Ca 0.50 -1.31 -0.31 0.00 0.00 0.00 0.00 61.98 60.87 3hru s VAL 137 Cb -0.14 -1.64 -0.08 0.00 0.00 0.00 0.00 36.38 34.52 3hru s VAL 137 CO 0.20 -0.55 1.31 -1.61 0.00 0.00 0.00 175.10 174.45 3hru s GLU 138 N 1.59 4.37 0.23 2.72 0.41 -1.26 -4.92 118.70 121.84 3hru s GLU 138 Ca 0.07 1.98 -0.07 0.00 -0.41 0.00 0.00 54.97 56.55 3hru s GLU 138 Cb -0.17 -3.26 0.21 0.00 -1.78 0.00 0.00 34.13 29.12 3hru s GLU 138 CO -0.20 -0.33 1.80 -0.22 -0.49 0.00 0.00 175.26 175.82 3hru h LYS 139 N 6.38 1.15 -4.43 1.61 3.64 -1.97 -3.38 116.57 119.57 3hru h LYS 139 Ca -0.43 -0.20 -0.71 0.00 -1.27 0.00 0.00 60.65 58.04 3hru h LYS 139 Cb 1.21 -0.19 -0.30 0.00 -0.41 0.00 0.00 32.23 32.54 3hru h LYS 139 CO 0.82 0.93 -0.47 -1.01 -2.27 0.00 0.00 179.45 177.45 3hru s HIS 140 N -5.53 3.41 -0.80 1.91 3.76 -1.26 -4.88 115.29 111.90 3hru s HIS 140 Ca -0.12 -1.83 0.07 0.00 -0.15 0.00 0.00 55.06 53.03 3hru s HIS 140 Cb 0.16 -3.13 0.04 0.00 1.11 0.00 0.00 32.58 30.76 3hru s HIS 140 CO 0.83 -0.92 0.66 1.63 -0.85 0.00 0.00 174.74 176.10 3hru n LYS 141 N 4.83 0.71 -2.80 1.40 5.02 -1.26 -4.93 118.16 121.13 3hru n LYS 141 Ca -0.08 -0.79 -0.43 0.00 -2.02 0.00 0.00 58.31 54.99 3hru n LYS 141 Cb 0.42 -1.09 -0.03 0.00 -0.02 0.00 0.00 35.03 34.32 3hru n LYS 141 CO 0.00 0.00 0.00 -1.17 -0.52 0.00 0.00 177.40 175.71 3hru s LEU 142 N -0.84 4.51 0.69 -0.35 1.98 -1.26 -5.00 118.68 118.40 3hru s LEU 142 Ca 0.07 -1.77 -0.13 0.00 -2.89 0.00 0.00 54.13 49.42 3hru s LEU 142 Cb 0.06 -2.45 0.01 0.00 0.66 0.00 0.00 46.19 44.47 3hru s LEU 142 CO 0.11 -1.24 1.09 0.28 -1.89 0.00 0.00 176.35 174.70 3hru s THR 143 N 3.52 3.50 0.03 3.68 -1.32 -1.26 0.44 115.64 124.23 3hru s THR 143 Ca 0.36 0.59 -0.25 0.00 -1.21 0.00 0.00 61.69 61.18 3hru s THR 143 Cb -0.04 -3.14 -0.18 0.00 -1.51 0.00 0.00 72.50 67.63 3hru s THR 143 CO -0.08 -0.54 1.46 0.25 -2.21 0.00 0.00 174.62 173.50 3hru h LEU 144 N -0.41 -0.04 -0.99 9.08 5.85 -0.72 -2.66 115.31 125.41 3hru h LEU 144 Ca -0.45 -0.26 0.31 0.00 0.84 0.00 0.00 57.88 58.32 3hru h LEU 144 Cb 1.23 0.01 -0.18 0.00 0.37 0.00 0.00 40.66 42.09 3hru h LEU 144 CO 0.54 0.23 0.14 1.21 -0.34 0.00 0.00 178.44 180.22 3hru n GLU 145 N -4.98 -0.07 -0.08 1.25 2.13 -0.76 -0.52 120.64 117.60 3hru n GLU 145 Ca -0.08 1.46 0.09 0.00 0.66 0.00 0.00 57.16 59.29 3hru n GLU 145 Cb 0.16 -2.38 0.36 0.00 0.27 0.00 0.00 31.44 29.85 3hru n GLU 145 CO 0.00 0.00 0.00 -1.91 -0.41 0.00 0.00 177.13 174.81 3hru n GLU 146 N -5.43 1.59 -2.49 5.31 2.13 -1.01 -4.89 120.64 115.85 3hru n GLU 146 Ca 0.27 -0.90 -0.26 0.00 0.66 0.00 0.00 57.16 56.93 3hru n GLU 146 Cb 0.88 -1.35 0.03 0.00 0.27 0.00 0.00 31.44 31.27 3hru n GLU 146 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 3hru s ALA 147 N -1.80 3.37 0.06 4.31 0.00 0.32 -4.94 121.76 123.09 3hru s ALA 147 Ca 0.29 -0.73 0.00 0.00 0.00 0.00 0.00 51.96 51.52 3hru s ALA 147 Cb 0.15 -2.54 0.00 0.00 0.00 0.00 0.00 23.12 20.73 3hru s ALA 147 CO 0.23 -0.72 0.00 1.63 0.00 0.00 0.00 175.76 176.91 3hru n LYS 148 N -2.50 0.00 -1.83 0.00 5.02 -1.26 -5.06 118.16 112.53 3hru n LYS 148 Ca 0.04 0.00 -0.42 0.00 -2.02 0.00 0.00 58.31 55.91 3hru n LYS 148 Cb 0.57 -0.11 -0.02 0.00 -0.02 0.00 0.00 35.03 35.46 3hru n LYS 148 CO 0.00 0.00 0.00 -1.83 -0.52 0.00 0.00 177.40 175.05 3hru s GLU 149 N -1.33 4.16 -1.04 1.97 -1.05 -1.26 -4.91 118.70 115.24 3hru s GLU 149 Ca 0.00 2.51 -0.15 0.00 -0.15 0.00 0.00 54.97 57.18 3hru s GLU 149 Cb 0.00 -3.07 0.18 0.00 -0.44 0.00 0.00 34.13 30.81 3hru s GLU 149 CO 0.00 -0.62 1.17 0.15 0.95 0.00 0.00 175.26 176.92 3hru s LYS 150 N 0.08 3.87 0.00 -4.83 1.02 -1.26 -4.93 119.74 113.68 3hru s LYS 150 Ca 0.66 -2.39 0.00 0.00 0.02 0.00 0.00 55.97 54.26 3hru s LYS 150 Cb -0.47 -4.83 0.00 0.00 -0.52 0.00 0.00 37.83 32.01 3hru s LYS 150 CO 0.42 -1.61 0.00 0.41 -0.92 0.00 0.00 175.35 173.65 3hru n GLY 151 N 4.33 4.49 3.75 -3.33 0.00 -1.23 -4.93 105.19 108.28 3hru n GLY 151 Ca 0.27 -1.27 -0.40 0.00 0.00 0.00 0.00 46.02 44.61 3hru n GLY 151 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3hru s ASP 152 N 1.01 7.46 0.00 1.61 1.11 -1.26 -0.92 116.67 125.68 3hru s ASP 152 Ca 0.00 1.73 0.00 0.00 0.18 0.00 0.00 52.55 54.46 3hru s ASP 152 Cb 0.00 -2.55 0.00 0.00 1.07 0.00 0.00 42.92 41.44 3hru s ASP 152 CO 0.00 0.08 0.00 -1.22 1.18 0.00 0.00 175.17 175.21 3hru n TYR 153 N 2.14 0.00 -3.79 4.23 4.02 0.29 -4.40 117.16 119.65 3hru n TYR 153 Ca -0.02 0.00 -0.22 0.00 -0.01 0.00 0.00 57.90 57.65 3hru n TYR 153 Cb 0.49 0.00 -0.17 0.00 -0.02 0.00 0.00 39.34 39.63 3hru n TYR 153 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 176.86 176.27 3hru s ILE 154 N -1.38 0.30 0.02 -0.72 1.01 -0.42 -2.31 121.20 117.70 3hru s ILE 154 Ca 0.00 0.15 -0.31 0.00 0.00 0.00 0.00 60.65 60.49 3hru s ILE 154 Cb 0.00 -0.45 -0.10 0.00 0.01 0.00 0.00 42.46 41.92 3hru s ILE 154 CO 0.00 0.24 1.94 -0.11 0.00 0.00 0.00 174.94 177.01 3hru n LEU 155 N 5.02 4.02 0.00 2.97 -0.00 -0.61 -2.18 117.00 126.22 3hru n LEU 155 Ca -0.09 0.93 0.00 0.00 -0.00 0.00 0.00 56.01 56.84 3hru n LEU 155 Cb 0.50 -1.50 0.00 0.00 -0.00 0.00 0.00 43.42 42.42 3hru n LEU 155 CO 0.12 0.15 -0.17 0.00 -0.00 0.00 0.00 177.39 177.49 3hru n ALA 156 N 7.12 1.31 -3.41 1.96 0.00 0.67 -0.25 120.51 127.90 3hru n ALA 156 Ca 0.20 0.00 -0.16 0.00 0.00 0.00 0.00 53.44 53.48 3hru n ALA 156 Cb 0.38 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.77 3hru n ALA 156 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 3hru s ARG 157 N -0.99 1.00 0.15 0.00 3.52 -1.11 -4.47 118.95 117.04 3hru s ARG 157 Ca 0.00 0.02 0.06 0.00 -0.13 0.00 0.00 55.73 55.68 3hru s ARG 157 Cb 0.00 0.46 -0.04 0.00 -1.56 0.00 0.00 34.95 33.81 3hru s ARG 157 CO 0.00 -0.33 -0.14 0.14 -0.81 0.00 0.00 175.30 174.17 3hru s VAL 158 N -1.68 1.41 0.51 7.11 -7.23 -0.28 -1.08 120.40 119.17 3hru s VAL 158 Ca -0.09 -1.91 -0.22 0.00 -1.81 0.00 0.00 61.98 57.95 3hru s VAL 158 Cb -0.01 -1.72 -0.06 0.00 0.56 0.00 0.00 36.38 35.15 3hru s VAL 158 CO 0.05 -0.52 1.26 -2.28 -0.31 0.00 0.00 175.10 173.29 3hru s HIS 159 N -2.56 2.57 -0.28 2.82 2.46 -0.91 -4.79 115.29 114.60 3hru s HIS 159 Ca 0.14 1.46 0.26 0.00 0.47 0.00 0.00 55.06 57.39 3hru s HIS 159 Cb -0.02 -3.58 1.15 0.00 -0.13 0.00 0.00 32.58 30.00 3hru s HIS 159 CO 0.03 -2.19 1.78 0.22 -2.47 0.00 0.00 174.74 172.11 3hru h ASP 160 N 1.68 0.00 -3.98 9.88 1.82 -1.92 -3.43 116.42 120.47 3hru h ASP 160 Ca -0.50 0.00 -0.52 0.00 -0.39 0.00 0.00 57.03 55.62 3hru h ASP 160 Cb 1.28 0.00 0.07 0.00 0.68 0.00 0.00 39.33 41.36 3hru h ASP 160 CO 0.58 0.00 0.54 0.21 -1.61 0.00 0.00 179.24 178.96 3hru s ASN 161 N -4.48 6.19 0.06 2.28 3.84 -1.26 -4.91 114.94 116.66 3hru s ASN 161 Ca 0.02 2.46 -0.28 0.00 0.21 0.00 0.00 52.86 55.26 3hru s ASN 161 Cb 0.09 -2.62 -0.14 0.00 -0.55 0.00 0.00 41.25 38.03 3hru s ASN 161 CO 0.38 -0.91 1.43 0.15 -2.79 0.00 0.00 177.10 175.36 3hru h PHE 162 N 2.29 -1.06 -0.98 0.43 3.57 -1.96 -2.29 116.94 116.94 3hru h PHE 162 Ca -0.49 -0.00 0.10 0.00 3.53 0.00 0.00 57.97 61.10 3hru h PHE 162 Cb 1.25 0.39 -0.07 0.00 2.79 0.00 0.00 35.95 40.31 3hru h PHE 162 CO 0.53 -0.55 0.62 -0.44 -2.23 0.00 0.00 178.31 176.24 3hru h ASP 163 N -0.87 0.93 -0.17 0.41 3.32 -1.98 0.47 116.42 118.54 3hru h ASP 163 Ca -0.07 0.03 -0.00 0.00 0.02 0.00 0.00 57.03 57.01 3hru h ASP 163 Cb 0.72 -0.16 -0.01 0.00 0.22 0.00 0.00 39.33 40.10 3hru h ASP 163 CO 0.02 0.53 0.09 0.25 -1.72 0.00 0.00 179.24 178.42 3hru h LEU 164 N 1.02 0.21 -0.21 1.55 5.85 -1.92 0.41 115.31 122.21 3hru h LEU 164 Ca 0.46 -0.09 0.00 0.00 0.84 0.00 0.00 57.88 59.09 3hru h LEU 164 Cb 0.38 -0.05 -0.01 0.00 0.37 0.00 0.00 40.66 41.35 3hru h LEU 164 CO -0.22 0.24 0.14 -0.07 -0.34 0.00 0.00 178.44 178.19 3hru h LEU 165 N 0.17 0.25 -0.10 2.25 3.38 -0.48 0.83 115.31 121.61 3hru h LEU 165 Ca 0.06 -0.02 0.04 0.00 0.09 0.00 0.00 57.88 58.05 3hru h LEU 165 Cb 0.07 -0.06 -0.06 0.00 0.09 0.00 0.00 40.66 40.70 3hru h LEU 165 CO -0.01 0.19 -0.38 0.74 0.09 0.00 0.00 178.44 179.07 3hru h THR 166 N 0.28 0.20 -0.17 0.22 2.02 -0.06 0.38 112.91 115.78 3hru h THR 166 Ca 0.08 0.00 0.04 0.00 0.77 0.00 0.00 66.41 67.30 3hru h THR 166 Cb -0.02 0.20 -0.07 0.00 -1.74 0.00 0.00 68.15 66.52 3hru h THR 166 CO -0.02 0.00 -0.51 0.22 0.37 0.00 0.00 175.52 175.58 3hru h TYR 167 N -0.47 -1.51 -0.79 3.16 3.20 0.40 0.13 116.97 121.09 3hru h TYR 167 Ca 0.08 0.06 -0.02 0.00 3.14 0.00 0.00 58.73 61.98 3hru h TYR 167 Cb 0.60 0.68 -0.04 0.00 1.54 0.00 0.00 36.73 39.52 3hru h TYR 167 CO -0.44 -0.52 0.40 -0.07 -1.64 0.00 0.00 178.16 175.88 3hru h LEU 168 N -0.53 1.01 -1.97 2.82 3.38 -0.68 -0.77 115.31 118.56 3hru h LEU 168 Ca 0.05 -0.12 -0.01 0.00 0.09 0.00 0.00 57.88 57.90 3hru h LEU 168 Cb 0.66 -0.26 -0.00 0.00 0.09 0.00 0.00 40.66 41.15 3hru h LEU 168 CO -0.45 0.85 -0.04 -0.33 0.09 0.00 0.00 178.44 178.55 3hru h GLU 169 N 1.10 0.00 0.05 1.13 5.08 0.48 0.31 114.58 122.73 3hru h GLU 169 Ca 0.27 0.00 -0.25 0.00 -1.00 0.00 0.00 59.36 58.38 3hru h GLU 169 Cb 0.08 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.35 3hru h GLU 169 CO -0.04 0.04 -1.07 -0.09 -1.00 0.00 0.00 179.01 176.85 3hru h ARG 170 N 0.00 0.47 -0.62 2.33 2.43 0.14 -3.24 114.38 115.89 3hru h ARG 170 Ca -0.00 -0.57 0.00 0.00 -0.81 0.00 0.00 59.98 58.60 3hru h ARG 170 Cb 0.07 0.18 0.00 0.00 -0.42 0.00 0.00 29.97 29.80 3hru h ARG 170 CO 0.01 1.21 0.00 0.09 -1.51 0.00 0.00 179.97 179.77 3hru n ASN 171 N -3.74 3.76 -1.03 -3.80 3.02 -0.38 -4.94 115.26 108.15 3hru n ASN 171 Ca -0.09 -2.24 -0.11 0.00 -0.03 0.00 0.00 54.58 52.11 3hru n ASN 171 Cb 0.90 -0.48 -0.03 0.00 -0.61 0.00 0.00 39.78 39.56 3hru n ASN 171 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3hru n GLY 172 N 1.17 0.61 3.58 7.41 0.00 0.82 -5.01 105.19 113.78 3hru n GLY 172 Ca 0.21 -0.48 -0.38 0.00 0.00 0.00 0.00 46.02 45.37 3hru n GLY 172 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3hru s LEU 173 N -2.80 4.08 -0.03 0.99 1.43 0.29 -4.94 118.68 117.70 3hru s LEU 173 Ca 0.00 -0.04 0.05 0.00 -1.03 0.00 0.00 54.13 53.11 3hru s LEU 173 Cb 0.00 -2.14 -0.01 0.00 0.03 0.00 0.00 46.19 44.07 3hru s LEU 173 CO 0.00 -0.08 -0.18 -1.10 0.23 0.00 0.00 176.35 175.22 3hru s GLN 174 N 1.78 1.68 0.29 1.70 -1.52 -1.26 -4.18 119.66 118.15 3hru s GLN 174 Ca 0.07 -0.65 -0.27 0.00 -1.95 0.00 0.00 55.36 52.56 3hru s GLN 174 Cb -0.16 -1.53 -0.14 0.00 -0.22 0.00 0.00 33.01 30.95 3hru s GLN 174 CO 0.11 0.33 0.79 0.28 -0.25 0.00 0.00 175.29 176.55 3hru n VAL 175 N 2.86 1.96 0.00 1.09 0.31 -1.26 -1.39 118.33 121.90 3hru n VAL 175 Ca -0.16 -0.50 0.00 0.00 -0.01 0.00 0.00 64.34 63.67 3hru n VAL 175 Cb 0.53 -0.65 0.00 0.00 -0.91 0.00 0.00 33.84 32.81 3hru n VAL 175 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3hru n GLY 176 N 1.53 3.01 3.77 2.92 0.00 0.65 -5.00 105.19 112.07 3hru n GLY 176 Ca 0.12 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.85 3hru n GLY 176 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3hru s LYS 177 N -0.18 1.61 -0.20 1.61 2.47 -0.49 -4.78 119.74 119.79 3hru s LYS 177 Ca 0.00 0.62 -0.13 0.00 -1.56 0.00 0.00 55.97 54.90 3hru s LYS 177 Cb 0.00 -1.87 -0.05 0.00 -1.46 0.00 0.00 37.83 34.46 3hru s LYS 177 CO 0.00 -1.95 0.25 0.95 0.16 0.00 0.00 175.35 174.76 3hru s THR 178 N -3.11 5.32 -0.16 3.43 -4.23 -1.26 -1.57 115.64 114.06 3hru s THR 178 Ca 0.62 0.42 0.02 0.00 -1.18 0.00 0.00 61.69 61.57 3hru s THR 178 Cb -0.16 -3.59 0.02 0.00 1.34 0.00 0.00 72.50 70.11 3hru s THR 178 CO 0.55 0.36 -0.20 -0.63 -0.54 0.00 0.00 174.62 174.16 3hru s ILE 179 N 0.76 1.96 -0.37 2.99 -1.09 -0.98 -4.66 121.20 119.81 3hru s ILE 179 Ca 0.13 -0.90 -0.20 0.00 -2.23 0.00 0.00 60.65 57.45 3hru s ILE 179 Cb -0.13 -1.77 0.01 0.00 -1.58 0.00 0.00 42.46 38.99 3hru s ILE 179 CO 0.04 0.53 0.61 -0.60 -1.23 0.00 0.00 174.94 174.29 3hru s ARG 180 N 1.10 3.58 -0.48 2.79 3.52 -0.44 0.10 118.95 129.12 3hru s ARG 180 Ca -0.01 -0.09 -0.25 0.00 -0.13 0.00 0.00 55.73 55.25 3hru s ARG 180 Cb -0.14 -3.84 0.03 0.00 -1.56 0.00 0.00 34.95 29.44 3hru s ARG 180 CO -0.08 -0.78 0.95 0.12 -0.81 0.00 0.00 175.30 174.70 3hru s PHE 181 N 2.67 2.88 0.06 5.12 5.36 -0.10 0.10 117.98 134.08 3hru s PHE 181 Ca 0.23 0.33 -0.17 0.00 -0.96 0.00 0.00 56.93 56.36 3hru s PHE 181 Cb -0.15 -4.03 -0.15 0.00 -0.34 0.00 0.00 43.02 38.35 3hru s PHE 181 CO 0.15 -1.17 1.29 -0.07 -1.46 0.00 0.00 175.22 173.96 3hru h LEU 182 N 10.71 0.67 0.00 6.12 3.38 -1.06 -3.25 115.31 131.89 3hru h LEU 182 Ca -0.24 -0.60 0.00 0.00 0.09 0.00 0.00 57.88 57.13 3hru h LEU 182 Cb 1.07 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 41.63 3hru h LEU 182 CO 1.05 1.15 0.00 0.61 0.09 0.00 0.00 178.44 181.34 3hru n GLY 183 N 0.56 3.23 3.80 0.83 0.00 -1.23 -4.92 105.19 107.45 3hru n GLY 183 Ca -0.07 -1.32 -0.36 0.00 0.00 0.00 0.00 46.02 44.27 3hru n GLY 183 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 3hru s TYR 184 N -2.00 3.49 -0.23 1.61 6.04 -1.26 -1.44 117.35 123.55 3hru s TYR 184 Ca 0.00 0.42 -0.21 0.00 0.04 0.00 0.00 57.07 57.31 3hru s TYR 184 Cb 0.00 -2.06 -0.02 0.00 -1.04 0.00 0.00 41.96 38.85 3hru s TYR 184 CO 0.00 0.50 0.67 0.34 -1.54 0.00 0.00 175.55 175.52 3hru s ASP 185 N -0.28 6.67 0.32 4.32 -1.08 -1.13 -4.98 116.67 120.52 3hru s ASP 185 Ca 0.11 0.82 0.06 0.00 -0.52 0.00 0.00 52.55 53.02 3hru s ASP 185 Cb -0.11 -2.36 0.56 0.00 -1.46 0.00 0.00 42.92 39.54 3hru s ASP 185 CO 0.01 -0.37 1.79 0.44 0.52 0.00 0.00 175.17 177.55 3hru h ASP 186 N 7.73 0.32 0.00 -0.34 3.32 -1.98 -2.74 116.42 122.74 3hru h ASP 186 Ca -0.27 -0.10 -0.35 0.00 0.02 0.00 0.00 57.03 56.33 3hru h ASP 186 Cb 1.12 -0.09 -0.06 0.00 0.22 0.00 0.00 39.33 40.52 3hru h ASP 186 CO 0.79 0.58 -2.31 0.33 -1.72 0.00 0.00 179.24 176.91 3hru n PHE 187 N -4.15 0.00 -0.19 4.55 -0.00 -1.26 -4.51 117.46 111.91 3hru n PHE 187 Ca -0.01 0.00 -0.01 0.00 -0.00 0.00 0.00 57.45 57.43 3hru n PHE 187 Cb 0.38 -0.89 0.09 0.00 -0.00 0.00 0.00 39.48 39.06 3hru n PHE 187 CO 0.00 0.00 0.00 1.03 -0.00 0.00 0.00 176.76 177.79 3hru h SER 188 N -0.00 0.25 -0.15 -2.13 0.87 -1.99 -3.46 113.55 106.93 3hru h SER 188 Ca -0.51 0.06 0.00 0.00 -1.23 0.00 0.00 61.79 60.11 3hru h SER 188 Cb 1.80 0.03 0.00 0.00 -0.44 0.00 0.00 62.40 63.79 3hru h SER 188 CO -0.08 0.16 0.00 1.41 -0.53 0.00 0.00 176.83 177.79 3hru n HIS 189 N -4.97 0.00 -3.99 2.24 8.25 -1.03 -5.08 115.22 110.65 3hru n HIS 189 Ca 0.07 0.00 -0.28 0.00 -0.26 0.00 0.00 57.72 57.25 3hru n HIS 189 Cb 0.23 -0.86 -0.17 0.00 1.12 0.00 0.00 29.99 30.31 3hru n HIS 189 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 3hru s LEU 190 N -0.15 1.43 0.03 2.41 1.43 -1.25 -4.06 118.68 118.52 3hru s LEU 190 Ca 0.00 -0.39 -0.28 0.00 -1.03 0.00 0.00 54.13 52.43 3hru s LEU 190 Cb 0.00 -1.00 -0.04 0.00 0.03 0.00 0.00 46.19 45.18 3hru s LEU 190 CO 0.00 -0.08 0.89 -0.31 0.23 0.00 0.00 176.35 177.07 3hru s TYR 191 N 1.57 3.71 -0.15 0.29 2.02 -0.91 -2.82 117.35 121.07 3hru s TYR 191 Ca 0.04 1.62 -0.09 0.00 -0.37 0.00 0.00 57.07 58.27 3hru s TYR 191 Cb -0.13 -2.99 -0.05 0.00 -0.40 0.00 0.00 41.96 38.40 3hru s TYR 191 CO -0.09 0.13 0.17 -1.12 -1.57 0.00 0.00 175.55 173.07 3hru s SER 192 N 0.45 6.36 0.17 2.29 0.01 -0.52 -1.64 113.70 120.81 3hru s SER 192 Ca 0.45 0.42 0.09 0.00 1.31 0.00 0.00 55.95 58.23 3hru s SER 192 Cb -0.21 -2.10 -0.04 0.00 0.21 0.00 0.00 66.02 63.88 3hru s SER 192 CO 0.26 0.29 -0.20 -0.76 0.41 0.00 0.00 173.24 173.23 3hru s LEU 193 N -0.37 2.42 -0.30 2.44 1.43 -0.80 -0.44 118.68 123.06 3hru s LEU 193 Ca 0.13 -0.84 -0.01 0.00 -1.03 0.00 0.00 54.13 52.38 3hru s LEU 193 Cb -0.12 -0.95 0.05 0.00 0.03 0.00 0.00 46.19 45.20 3hru s LEU 193 CO 0.02 0.03 -0.01 -0.70 0.23 0.00 0.00 176.35 175.92 3hru s GLU 194 N -2.65 2.40 -0.02 1.70 2.56 0.29 -2.04 118.70 120.93 3hru s GLU 194 Ca 0.16 -1.28 0.04 0.00 0.00 0.00 0.00 54.97 53.90 3hru s GLU 194 Cb -0.07 -3.14 -0.01 0.00 2.00 0.00 0.00 34.13 32.91 3hru s GLU 194 CO 0.07 -0.62 -0.16 0.54 -0.56 0.00 0.00 175.26 174.54 3hru s VAL 195 N 1.23 1.27 -1.75 3.70 0.11 0.65 -1.33 120.40 124.28 3hru s VAL 195 Ca -0.06 -0.66 -0.15 0.00 -2.93 0.00 0.00 61.98 58.19 3hru s VAL 195 Cb -0.20 -1.07 0.15 0.00 -1.53 0.00 0.00 36.38 33.72 3hru s VAL 195 CO -0.02 0.36 0.40 0.47 -3.33 0.00 0.00 175.10 172.99 3hru n ASP 196 N 2.90 -0.91 -1.65 3.54 8.00 -1.26 0.01 116.55 127.18 3hru n ASP 196 Ca -0.16 -1.24 -0.15 0.00 0.71 0.00 0.00 54.79 53.95 3hru n ASP 196 Cb 0.54 -1.70 -0.01 0.00 -0.02 0.00 0.00 41.12 39.93 3hru n ASP 196 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3hru n GLY 197 N -1.63 -0.21 3.30 0.44 0.00 -1.26 -5.01 105.19 100.82 3hru n GLY 197 Ca -0.05 -0.28 -0.11 0.00 0.00 0.00 0.00 46.02 45.59 3hru n GLY 197 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3hru s GLN 198 N -4.71 1.23 -0.02 1.61 0.74 0.10 -5.16 119.66 113.45 3hru s GLN 198 Ca 0.00 -1.45 0.02 0.00 0.05 0.00 0.00 55.36 53.98 3hru s GLN 198 Cb 0.00 0.33 -0.03 0.00 1.10 0.00 0.00 33.01 34.41 3hru s GLN 198 CO 0.00 -0.44 -0.05 -2.00 -0.55 0.00 0.00 175.29 172.26 3hru s GLU 199 N -4.08 2.69 0.03 1.67 2.12 -1.26 -0.25 118.70 119.61 3hru s GLU 199 Ca 0.30 -0.63 0.02 0.00 0.36 0.00 0.00 54.97 55.02 3hru s GLU 199 Cb 0.05 -2.58 -0.02 0.00 0.26 0.00 0.00 34.13 31.84 3hru s GLU 199 CO 0.08 0.63 -0.06 0.42 -0.54 0.00 0.00 175.26 175.79 3hru s ILE 200 N -0.96 0.42 -0.23 -3.70 1.01 -0.87 -4.99 121.20 111.90 3hru s ILE 200 Ca 0.16 -0.80 -0.00 0.00 0.00 0.00 0.00 60.65 60.01 3hru s ILE 200 Cb -0.11 -0.47 0.03 0.00 0.01 0.00 0.00 42.46 41.92 3hru s ILE 200 CO 0.06 -0.26 -0.11 -1.10 0.00 0.00 0.00 174.94 173.52 3hru s GLN 201 N -1.14 2.82 -0.12 2.79 -1.52 -1.26 -1.90 119.66 119.32 3hru s GLN 201 Ca -0.08 -0.97 -0.03 0.00 -1.95 0.00 0.00 55.36 52.33 3hru s GLN 201 Cb -0.08 -2.84 -0.03 0.00 -0.22 0.00 0.00 33.01 29.84 3hru s GLN 201 CO 0.00 -0.36 -0.01 -0.51 -0.25 0.00 0.00 175.29 174.17 3hru s LEU 202 N 1.28 3.47 1.21 2.90 1.43 -0.65 -4.96 118.68 123.37 3hru s LEU 202 Ca 0.00 0.03 -0.16 0.00 -1.03 0.00 0.00 54.13 52.97 3hru s LEU 202 Cb -0.16 -1.82 0.29 0.00 0.03 0.00 0.00 46.19 44.53 3hru s LEU 202 CO -0.07 0.27 1.03 0.00 0.23 0.00 0.00 176.35 177.81 3hru s ALA 203 N -0.26 -0.16 -0.02 4.21 0.00 -1.26 -2.14 121.76 122.14 3hru s ALA 203 Ca 0.06 -0.50 -0.25 0.00 0.00 0.00 0.00 51.96 51.26 3hru s ALA 203 Cb -0.12 -3.08 -0.19 0.00 0.00 0.00 0.00 23.12 19.73 3hru s ALA 203 CO 0.02 -3.84 1.24 0.37 0.00 0.00 0.00 175.76 173.54 3hru h GLN 204 N -2.71 -0.09 -0.11 0.00 -0.00 -1.99 -2.55 115.11 107.66 3hru h GLN 204 Ca -0.54 0.01 0.03 0.00 -0.00 0.00 0.00 58.65 58.15 3hru h GLN 204 Cb 1.33 0.02 -0.00 0.00 0.00 0.00 0.00 27.48 28.83 3hru h GLN 204 CO 0.44 0.35 0.14 -1.00 0.00 0.00 0.00 178.83 178.76 3hru h PRO 205 N -0.55 0.00 0.00 -2.39 0.13 -1.95 0.28 132.00 127.52 3hru h PRO 205 Ca -0.01 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 65.08 3hru h PRO 205 Cb 0.48 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.60 3hru h PRO 205 CO 0.01 0.00 -0.64 0.82 -0.23 0.00 0.00 178.00 177.96 3hru h ILE 206 N 0.00 0.20 -0.00 -3.56 5.03 -1.92 -3.24 117.51 114.01 3hru h ILE 206 Ca 0.05 -1.32 0.00 0.00 -0.12 0.00 0.00 64.86 63.48 3hru h ILE 206 Cb 0.34 1.88 0.00 0.00 -3.03 0.00 0.00 36.82 36.01 3hru h ILE 206 CO -0.00 0.11 -0.50 0.00 -0.68 0.00 0.00 178.15 177.08 3hru n ALA 207 N -2.19 3.58 1.20 1.87 0.00 0.71 -3.76 120.51 121.93 3hru n ALA 207 Ca 0.00 -0.41 0.13 0.00 0.00 0.00 0.00 53.44 53.16 3hru n ALA 207 Cb 0.61 -1.06 0.44 0.00 0.00 0.00 0.00 19.45 19.44 3hru n ALA 207 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3hru n GLN 208 N -1.19 0.47 -0.08 0.00 10.64 0.36 -1.83 117.38 125.74 3hru n GLN 208 Ca 0.07 -0.22 0.06 0.00 -1.83 0.00 0.00 57.00 55.09 3hru n GLN 208 Cb 0.34 -1.50 0.11 0.00 -0.86 0.00 0.00 30.24 28.33 3hru n GLN 208 CO 0.00 0.00 0.00 1.04 -1.83 0.00 0.00 177.06 176.27 3hru n GLN 209 N -1.07 2.04 -4.24 2.61 6.02 -1.25 -4.91 117.38 116.58 3hru n GLN 209 Ca 0.10 -2.23 -0.21 0.00 -0.01 0.00 0.00 57.00 54.65 3hru n GLN 209 Cb 0.32 -1.36 -0.16 0.00 1.02 0.00 0.00 30.24 30.06 3hru n GLN 209 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 3hru s ILE 210 N -2.19 0.69 -0.07 5.09 1.01 -1.25 -2.13 121.20 122.35 3hru s ILE 210 Ca 0.22 -0.20 -0.00 0.00 0.00 0.00 0.00 60.65 60.67 3hru s ILE 210 Cb 0.19 -0.69 -0.03 0.00 0.01 0.00 0.00 42.46 41.94 3hru s ILE 210 CO 0.03 0.26 -0.03 -0.31 0.00 0.00 0.00 174.94 174.89 3hru s TYR 211 N 0.92 3.05 0.36 3.97 1.51 -0.24 -0.50 117.35 126.42 3hru s TYR 211 Ca -0.11 0.10 0.06 0.00 -1.01 0.00 0.00 57.07 56.12 3hru s TYR 211 Cb -0.15 -1.74 -0.07 0.00 -0.11 0.00 0.00 41.96 39.90 3hru s TYR 211 CO 0.00 0.41 0.00 0.14 -1.11 0.00 0.00 175.55 175.00 3hru s VAL 212 N -0.88 1.72 -0.01 0.71 -7.23 0.17 -0.24 120.40 114.63 3hru s VAL 212 Ca 0.14 -2.04 -0.01 0.00 -1.81 0.00 0.00 61.98 58.26 3hru s VAL 212 Cb -0.11 -2.82 0.01 0.00 0.56 0.00 0.00 36.38 34.02 3hru s VAL 212 CO 0.03 -0.06 0.03 -1.61 -0.31 0.00 0.00 175.10 173.18 3hru s GLU 213 N -3.76 0.02 0.00 4.82 0.41 -0.92 -4.33 118.70 114.94 3hru s GLU 213 Ca 0.34 0.08 0.00 0.00 -0.41 0.00 0.00 54.97 54.99 3hru s GLU 213 Cb 0.08 -0.04 0.00 0.00 -1.78 0.00 0.00 34.13 32.39 3hru s GLU 213 CO 0.16 -0.04 0.00 1.17 -0.49 0.00 0.00 175.26 176.06 3hru n LYS 214 N 3.31 0.00 0.00 1.61 0.00 -1.26 -1.30 118.16 120.52 3hru n LYS 214 Ca -0.15 0.00 0.00 0.00 0.00 0.00 0.00 58.31 58.16 3hru n LYS 214 Cb 0.58 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.61 3hru n LYS 214 CO 0.00 0.00 0.00 1.51 0.00 0.00 0.00 177.40 178.91