#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k9a n ASP 2 N 0.00 1.83 -4.44 7.83 5.68 -1.26 -5.08 116.55 121.11 2k9a n ASP 2 Ca 0.00 0.00 -0.31 0.00 -0.50 0.00 0.00 54.79 53.98 2k9a n ASP 2 Cb 0.00 0.01 -0.13 0.00 -1.14 0.00 0.00 41.12 39.86 2k9a n ASP 2 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2k9a s ALA 3 N -1.45 2.55 0.00 2.12 0.00 -1.26 -5.07 121.76 118.64 2k9a s ALA 3 Ca 0.00 -1.19 0.00 0.00 0.00 0.00 0.00 51.96 50.77 2k9a s ALA 3 Cb 0.00 -0.71 0.00 0.00 0.00 0.00 0.00 23.12 22.41 2k9a s ALA 3 CO 0.00 0.57 0.00 -0.11 0.00 0.00 0.00 175.76 176.22 2k9a n LEU 4 N 1.61 0.02 0.01 0.00 7.94 -1.26 -4.68 117.00 120.63 2k9a n LEU 4 Ca -0.16 0.41 -0.18 0.00 -1.11 0.00 0.00 56.01 54.97 2k9a n LEU 4 Cb 0.52 -0.50 -0.14 0.00 0.53 0.00 0.00 43.42 43.83 2k9a n LEU 4 CO 0.26 -0.50 -0.71 -0.08 -1.11 0.00 0.00 177.39 175.25 2k9a h GLU 5 N 0.00 0.21 0.00 1.96 4.57 -2.08 -3.50 114.58 115.75 2k9a h GLU 5 Ca 0.00 -0.36 0.00 0.00 -1.18 0.00 0.00 59.36 57.82 2k9a h GLU 5 Cb 0.00 0.14 0.00 0.00 -0.16 0.00 0.00 28.75 28.73 2k9a h GLU 5 CO 0.00 1.05 0.00 0.41 -1.18 0.00 0.00 179.01 179.29 2k9a n GLY 6 N 1.88 1.53 3.52 1.92 0.00 -1.26 -5.09 105.19 107.69 2k9a n GLY 6 Ca -0.27 -0.46 -0.43 0.00 0.00 0.00 0.00 46.02 44.85 2k9a n GLY 6 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2k9a s GLU 7 N 0.00 3.31 -0.30 1.61 2.12 -1.26 -4.98 118.70 119.20 2k9a s GLU 7 Ca 0.00 -0.33 -0.10 0.00 0.36 0.00 0.00 54.97 54.90 2k9a s GLU 7 Cb 0.00 -3.99 0.15 0.00 0.26 0.00 0.00 34.13 30.55 2k9a s GLU 7 CO 0.00 -1.17 0.75 -1.54 -0.54 0.00 0.00 175.26 172.76 2k9a s SER 8 N 2.31 -1.00 -0.15 -1.70 1.04 -1.26 -5.08 113.70 107.86 2k9a s SER 8 Ca 0.26 1.21 -0.11 0.00 0.48 0.00 0.00 55.95 57.79 2k9a s SER 8 Cb -0.14 2.07 0.04 0.00 0.10 0.00 0.00 66.02 68.10 2k9a s SER 8 CO 0.19 -0.19 0.21 0.49 0.98 0.00 0.00 173.24 174.93 2k9a n PHE 9 N 5.32 -4.46 0.00 5.02 3.72 -1.26 -5.02 117.46 120.78 2k9a n PHE 9 Ca -0.09 2.61 0.00 0.00 -0.05 0.00 0.00 57.45 59.91 2k9a n PHE 9 Cb 0.50 -3.85 0.00 0.00 -0.94 0.00 0.00 39.48 35.19 2k9a n PHE 9 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2k9a n ALA 10 N 1.77 1.13 -2.01 4.37 0.00 -1.26 -5.12 120.51 119.40 2k9a n ALA 10 Ca -0.36 0.00 -0.18 0.00 0.00 0.00 0.00 53.44 52.90 2k9a n ALA 10 Cb 0.56 0.00 0.02 0.00 0.00 0.00 0.00 19.45 20.02 2k9a n ALA 10 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2k9a s LEU 11 N -1.66 3.59 0.00 0.00 2.01 -1.26 -5.03 118.68 116.33 2k9a s LEU 11 Ca 0.00 -0.38 0.00 0.00 0.01 0.00 0.00 54.13 53.76 2k9a s LEU 11 Cb 0.00 -2.66 0.00 0.00 0.01 0.00 0.00 46.19 43.54 2k9a s LEU 11 CO 0.00 -0.83 0.00 -1.54 1.01 0.00 0.00 176.35 174.99 2k9a n SER 12 N -1.93 0.00 -1.24 2.29 3.41 -1.26 -5.16 113.62 109.73 2k9a n SER 12 Ca 0.08 -0.47 0.10 0.00 -0.26 0.00 0.00 58.87 58.33 2k9a n SER 12 Cb 0.59 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 64.49 2k9a n SER 12 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 2k9a n PHE 13 N 0.00 -3.36 -3.50 7.33 3.72 -1.26 -5.10 117.46 115.30 2k9a n PHE 13 Ca 0.00 1.84 0.00 0.00 -0.05 0.00 0.00 57.45 59.24 2k9a n PHE 13 Cb 0.12 -3.00 0.00 0.00 -0.94 0.00 0.00 39.48 35.65 2k9a n PHE 13 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 176.76 175.58 2k9a n SER 14 N -3.48 0.00 0.00 4.37 3.41 -1.26 -4.99 113.62 111.67 2k9a n SER 14 Ca -0.06 -0.93 0.00 0.00 -0.26 0.00 0.00 58.87 57.62 2k9a n SER 14 Cb 0.52 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.47 2k9a n SER 14 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 2k9a n SER 15 N -0.40 0.00 0.22 4.04 7.64 -1.26 -3.70 113.62 120.16 2k9a n SER 15 Ca 0.00 0.00 0.13 0.00 1.01 0.00 0.00 58.87 60.01 2k9a n SER 15 Cb 0.00 0.00 0.69 0.00 -1.01 0.00 0.00 64.21 63.89 2k9a n SER 15 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2k9a h ALA 16 N -0.66 1.10 0.00 -0.43 0.00 -1.94 0.55 119.26 117.88 2k9a h ALA 16 Ca 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 54.91 54.86 2k9a h ALA 16 Cb 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 17.79 17.69 2k9a h ALA 16 CO 0.00 -0.10 -0.52 0.43 0.00 0.00 0.00 179.25 179.06 2k9a n SER 17 N -2.46 1.23 0.00 0.00 7.64 -1.24 -3.97 113.62 114.82 2k9a n SER 17 Ca -0.02 -2.72 0.00 0.00 1.01 0.00 0.00 58.87 57.14 2k9a n SER 17 Cb 0.17 -0.36 0.00 0.00 -1.01 0.00 0.00 64.21 63.01 2k9a n SER 17 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 2k9a n ASP 18 N -0.48 0.00 0.22 6.43 2.03 -0.18 -4.88 116.55 119.69 2k9a n ASP 18 Ca 0.10 0.00 -0.13 0.00 0.52 0.00 0.00 54.79 55.28 2k9a n ASP 18 Cb 0.80 0.00 -0.07 0.00 -0.72 0.00 0.00 41.12 41.13 2k9a n ASP 18 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2k9a h ALA 19 N 1.11 -0.59 -0.53 -1.67 0.00 -1.82 -1.54 119.26 114.21 2k9a h ALA 19 Ca 0.00 -0.18 -0.03 0.00 0.00 0.00 0.00 54.91 54.69 2k9a h ALA 19 Cb 0.00 0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.99 2k9a h ALA 19 CO 0.00 -0.63 0.21 1.49 0.00 0.00 0.00 179.25 180.32 2k9a h GLU 20 N -1.00 0.80 0.10 0.00 4.57 -0.31 -2.36 114.58 116.39 2k9a h GLU 20 Ca -0.06 -0.15 0.01 0.00 -1.18 0.00 0.00 59.36 57.98 2k9a h GLU 20 Cb 0.56 -0.13 -0.02 0.00 -0.16 0.00 0.00 28.75 29.01 2k9a h GLU 20 CO 0.10 0.70 -0.13 0.35 -1.18 0.00 0.00 179.01 178.85 2k9a h PHE 21 N 0.72 -0.35 -0.67 0.92 3.04 -1.40 -1.97 116.94 117.23 2k9a h PHE 21 Ca 0.18 0.00 0.11 0.00 3.98 0.00 0.00 57.97 62.24 2k9a h PHE 21 Cb 0.20 0.14 -0.04 0.00 2.56 0.00 0.00 35.95 38.81 2k9a h PHE 21 CO 0.01 -0.20 0.45 0.22 -2.02 0.00 0.00 178.31 176.76 2k9a h ASP 22 N -0.28 0.45 -0.47 0.41 1.82 -1.18 -1.30 116.42 115.86 2k9a h ASP 22 Ca 0.01 0.01 -0.01 0.00 -0.39 0.00 0.00 57.03 56.66 2k9a h ASP 22 Cb 0.28 -0.08 -0.02 0.00 0.68 0.00 0.00 39.33 40.19 2k9a h ASP 22 CO -0.06 0.26 0.26 0.00 -1.61 0.00 0.00 179.24 178.09 2k9a h ALA 23 N 1.66 0.61 -0.89 -0.78 0.00 -0.82 -2.52 119.26 116.52 2k9a h ALA 23 Ca 0.31 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 55.12 2k9a h ALA 23 Cb 0.57 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 18.12 2k9a h ALA 23 CO -0.10 0.13 0.50 0.28 0.00 0.00 0.00 179.25 180.06 2k9a h VAL 24 N 0.62 1.25 -0.81 0.00 2.07 -0.80 -2.44 116.25 116.15 2k9a h VAL 24 Ca 0.17 -0.60 0.04 0.00 0.82 0.00 0.00 66.70 67.13 2k9a h VAL 24 Cb 0.05 0.04 -0.05 0.00 -1.52 0.00 0.00 31.29 29.81 2k9a h VAL 24 CO -0.03 0.28 0.50 0.58 0.02 0.00 0.00 177.57 178.93 2k9a h VAL 25 N 1.23 1.08 -0.34 2.57 2.07 -1.10 -2.03 116.25 119.73 2k9a h VAL 25 Ca 0.31 -0.33 -0.01 0.00 0.82 0.00 0.00 66.70 67.50 2k9a h VAL 25 Cb 0.00 0.04 -0.02 0.00 -1.52 0.00 0.00 31.29 29.80 2k9a h VAL 25 CO -0.05 0.18 0.18 1.23 0.02 0.00 0.00 177.57 179.12 2k9a h GLY 26 N 0.96 0.52 1.24 2.17 0.00 -1.04 -2.47 103.07 104.46 2k9a h GLY 26 Ca 0.33 -0.25 0.04 0.00 0.00 0.00 0.00 47.33 47.46 2k9a h GLY 26 CO -0.14 0.24 0.41 -0.97 0.00 0.00 0.00 176.54 176.08 2k9a h TYR 27 N 0.43 0.69 -0.50 5.60 0.05 -1.13 -1.87 116.97 120.24 2k9a h TYR 27 Ca 0.12 0.02 -0.03 0.00 0.05 0.00 0.00 58.73 58.89 2k9a h TYR 27 Cb 0.09 -0.23 -0.02 0.00 1.01 0.00 0.00 36.73 37.57 2k9a h TYR 27 CO -0.02 0.39 0.21 -0.07 -1.05 0.00 0.00 178.16 177.62 2k9a h LEU 28 N 0.71 0.68 -0.96 3.88 3.38 -0.94 -2.69 115.31 119.37 2k9a h LEU 28 Ca 0.26 -0.16 0.05 0.00 0.09 0.00 0.00 57.88 58.12 2k9a h LEU 28 Cb 0.13 -0.18 -0.06 0.00 0.09 0.00 0.00 40.66 40.65 2k9a h LEU 28 CO -0.07 0.65 0.62 -0.33 0.09 0.00 0.00 178.44 179.40 2k9a h GLU 29 N 0.66 1.12 -0.26 1.13 5.08 -0.97 -0.65 114.58 120.69 2k9a h GLU 29 Ca 0.17 -0.07 -0.02 0.00 -1.00 0.00 0.00 59.36 58.44 2k9a h GLU 29 Cb 0.18 -0.25 -0.01 0.00 0.50 0.00 0.00 28.75 29.16 2k9a h GLU 29 CO -0.02 0.74 0.09 -0.44 -1.00 0.00 0.00 179.01 178.39 2k9a h ASP 30 N 1.15 0.32 0.24 1.42 3.32 -1.17 -2.15 116.42 119.56 2k9a h ASP 30 Ca 0.40 -0.03 -0.26 0.00 0.02 0.00 0.00 57.03 57.16 2k9a h ASP 30 Cb 0.09 -0.08 0.01 0.00 0.22 0.00 0.00 39.33 39.58 2k9a h ASP 30 CO -0.15 0.31 -1.09 0.40 -1.72 0.00 0.00 179.24 176.99 2k9a h ILE 31 N 0.36 1.35 0.00 0.35 2.04 -0.93 -1.99 117.51 118.69 2k9a h ILE 31 Ca 0.09 -2.48 -0.03 0.00 1.00 0.00 0.00 64.86 63.44 2k9a h ILE 31 Cb 0.09 2.55 -0.00 0.00 -0.74 0.00 0.00 36.82 38.72 2k9a h ILE 31 CO -0.01 0.75 -0.17 0.40 0.00 0.00 0.00 178.15 179.12 2k9a h ILE 32 N 0.26 1.09 -0.02 -0.67 2.04 -0.68 -1.60 117.51 117.94 2k9a h ILE 32 Ca -0.13 -0.58 0.00 0.00 1.00 0.00 0.00 64.86 65.16 2k9a h ILE 32 Cb 1.75 1.31 0.00 0.00 -0.74 0.00 0.00 36.82 39.14 2k9a h ILE 32 CO 0.20 0.16 -0.24 0.23 0.00 0.00 0.00 178.15 178.50 2k9a n MET 33 N -4.30 1.58 -1.74 2.37 2.81 -0.86 -4.73 117.12 112.25 2k9a n MET 33 Ca -0.02 -1.24 -0.42 0.00 -1.81 0.00 0.00 57.70 54.21 2k9a n MET 33 Cb 0.23 -1.47 -0.03 0.00 -0.71 0.00 0.00 33.22 31.24 2k9a n MET 33 CO 0.00 0.00 0.00 0.34 1.51 0.00 0.00 175.97 177.82 2k9a s ASP 34 N -2.27 6.40 0.21 7.83 -1.08 -0.60 -4.89 116.67 122.26 2k9a s ASP 34 Ca 0.24 2.84 -0.09 0.00 -0.52 0.00 0.00 52.55 55.03 2k9a s ASP 34 Cb 0.19 -2.59 0.27 0.00 -1.46 0.00 0.00 42.92 39.33 2k9a s ASP 34 CO 0.45 -0.97 1.78 -0.78 0.52 0.00 0.00 175.17 176.17 2k9a h ASP 35 N 7.05 0.43 0.30 -0.34 3.58 -1.90 -0.81 116.42 124.74 2k9a h ASP 35 Ca -0.43 0.05 -0.07 0.00 0.42 0.00 0.00 57.03 57.00 2k9a h ASP 35 Cb 1.20 -0.02 -0.01 0.00 1.72 0.00 0.00 39.33 42.22 2k9a h ASP 35 CO 0.95 0.27 -0.31 -0.33 -2.88 0.00 0.00 179.24 176.94 2k9a h GLU 36 N 0.58 0.02 -0.26 0.28 4.39 -1.94 -2.22 114.58 115.43 2k9a h GLU 36 Ca 0.31 -0.01 -0.13 0.00 0.34 0.00 0.00 59.36 59.87 2k9a h GLU 36 Cb 0.29 -0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 28.93 2k9a h GLU 36 CO -0.24 0.34 -0.35 0.35 -1.16 0.00 0.00 179.01 177.95 2k9a h PHE 37 N 0.02 0.85 -0.13 4.33 3.57 -1.45 -1.65 116.94 122.49 2k9a h PHE 37 Ca 0.00 -0.28 -0.02 0.00 3.53 0.00 0.00 57.97 61.21 2k9a h PHE 37 Cb 0.57 -0.17 -0.00 0.00 2.79 0.00 0.00 35.95 39.13 2k9a h PHE 37 CO 0.00 1.04 0.01 1.96 -2.23 0.00 0.00 178.31 179.09 2k9a h GLN 38 N 0.42 0.22 -0.73 1.11 4.20 -1.09 0.81 115.11 120.04 2k9a h GLN 38 Ca 0.03 -0.06 -0.02 0.00 0.06 0.00 0.00 58.65 58.65 2k9a h GLN 38 Cb 0.93 -0.02 -0.03 0.00 0.30 0.00 0.00 27.48 28.66 2k9a h GLN 38 CO 0.08 0.43 0.36 1.25 -0.67 0.00 0.00 178.83 180.28 2k9a h LEU 39 N -0.03 0.95 -0.69 1.46 6.46 -1.46 -2.57 115.31 119.44 2k9a h LEU 39 Ca 0.04 -0.13 -0.13 0.00 -0.12 0.00 0.00 57.88 57.54 2k9a h LEU 39 Cb 0.32 -0.24 -0.02 0.00 -0.73 0.00 0.00 40.66 39.99 2k9a h LEU 39 CO 0.00 0.81 -0.62 0.25 -0.62 0.00 0.00 178.44 178.26 2k9a h LEU 40 N 1.02 0.00 -0.18 2.25 6.46 -1.24 -2.48 115.31 121.15 2k9a h LEU 40 Ca 0.25 0.00 -0.03 0.00 -0.12 0.00 0.00 57.88 57.98 2k9a h LEU 40 Cb 0.10 0.00 -0.01 0.00 -0.73 0.00 0.00 40.66 40.03 2k9a h LEU 40 CO -0.03 0.62 0.00 -0.61 -0.62 0.00 0.00 178.44 177.80 2k9a h GLN 41 N 0.00 0.32 -0.02 1.25 5.75 -0.45 -2.75 115.11 119.20 2k9a h GLN 41 Ca -0.01 -0.10 -0.18 0.00 -0.15 0.00 0.00 58.65 58.21 2k9a h GLN 41 Cb 1.14 -0.03 -0.01 0.00 1.07 0.00 0.00 27.48 29.65 2k9a h GLN 41 CO 0.08 0.53 -0.78 0.00 -2.65 0.00 0.00 178.83 176.01 2k9a h ARG 42 N 0.08 0.22 -0.20 1.69 -0.00 -1.51 -2.03 114.38 112.62 2k9a h ARG 42 Ca 0.05 -0.20 -0.00 0.00 -0.50 0.00 0.00 59.98 59.33 2k9a h ARG 42 Cb 0.38 0.05 -0.01 0.00 0.00 0.00 0.00 29.97 30.39 2k9a h ARG 42 CO 0.01 0.90 0.13 -0.91 0.00 0.00 0.00 179.97 180.09 2k9a h ASN 43 N 0.14 0.24 0.00 7.04 2.35 -1.42 -0.79 115.58 123.15 2k9a h ASN 43 Ca -0.03 -0.04 -0.00 0.00 -0.55 0.00 0.00 56.30 55.68 2k9a h ASN 43 Cb 1.37 -0.06 0.00 0.00 0.05 0.00 0.00 38.32 39.68 2k9a h ASN 43 CO 0.12 0.21 -0.01 -0.26 -1.65 0.00 0.00 177.43 175.84 2k9a h PHE 44 N 0.25 0.01 -0.17 1.19 -1.00 -1.55 -3.24 116.94 112.43 2k9a h PHE 44 Ca 0.07 -0.01 0.05 0.00 2.81 0.00 0.00 57.97 60.90 2k9a h PHE 44 Cb 0.01 -0.00 -0.01 0.00 3.61 0.00 0.00 35.95 39.56 2k9a h PHE 44 CO -0.05 0.82 0.23 0.52 -1.61 0.00 0.00 178.31 178.22 2k9a h MET 45 N -0.80 0.00 -0.21 1.51 2.86 -1.40 -0.38 114.93 116.52 2k9a h MET 45 Ca -0.00 0.00 0.02 0.00 -2.06 0.00 0.00 59.70 57.66 2k9a h MET 45 Cb 0.82 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.47 2k9a h MET 45 CO 0.00 0.00 0.14 0.22 1.06 0.00 0.00 176.91 178.34 2k9a h ASP 46 N 0.00 0.16 0.03 1.22 1.82 -1.16 -1.77 116.42 116.72 2k9a h ASP 46 Ca 0.08 -0.00 -0.38 0.00 -0.39 0.00 0.00 57.03 56.34 2k9a h ASP 46 Cb 0.54 -0.04 -0.06 0.00 0.68 0.00 0.00 39.33 40.46 2k9a h ASP 46 CO -0.00 0.11 -2.36 0.29 -1.61 0.00 0.00 179.24 175.67 2k9a n LYS 47 N -4.50 0.68 -0.07 0.28 4.76 -0.21 -4.30 118.16 114.80 2k9a n LYS 47 Ca 0.01 0.18 -0.07 0.00 -2.87 0.00 0.00 58.31 55.56 2k9a n LYS 47 Cb 0.16 -1.57 -0.01 0.00 -1.84 0.00 0.00 35.03 31.77 2k9a n LYS 47 CO 0.00 0.00 0.00 1.88 -1.37 0.00 0.00 177.40 177.91 2k9a h TYR 48 N 0.02 -0.01 0.00 2.13 -1.99 -1.27 -0.66 116.97 115.19 2k9a h TYR 48 Ca -0.54 0.02 0.00 0.00 2.00 0.00 0.00 58.73 60.21 2k9a h TYR 48 Cb 1.94 0.05 0.00 0.00 2.00 0.00 0.00 36.73 40.71 2k9a h TYR 48 CO 0.04 -0.04 0.00 2.48 -0.00 0.00 0.00 178.16 180.64 2k9a n TYR 49 N -5.15 0.81 -0.05 4.88 4.11 -0.68 -1.81 117.16 119.26 2k9a n TYR 49 Ca -0.01 0.37 -0.16 0.00 -0.00 0.00 0.00 57.90 58.10 2k9a n TYR 49 Cb 0.14 -1.10 -0.13 0.00 -0.00 0.00 0.00 39.34 38.26 2k9a n TYR 49 CO 0.00 0.00 0.00 -0.07 -0.00 0.00 0.00 176.86 176.79 2k9a h LEU 50 N 0.00 0.09 -0.92 -3.48 3.38 -1.32 -3.35 115.31 109.72 2k9a h LEU 50 Ca 0.00 -0.93 -0.10 0.00 0.09 0.00 0.00 57.88 56.95 2k9a h LEU 50 Cb 0.17 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 40.87 2k9a h LEU 50 CO 0.00 1.15 -0.24 -0.33 0.09 0.00 0.00 178.44 179.11 2k9a h GLU 51 N -0.87 0.51 -5.85 1.13 4.39 -1.16 -3.38 114.58 109.36 2k9a h GLU 51 Ca -0.08 -0.19 -0.47 0.00 0.34 0.00 0.00 59.36 58.97 2k9a h GLU 51 Cb 1.18 -0.03 -0.07 0.00 -0.10 0.00 0.00 28.75 29.72 2k9a h GLU 51 CO 0.00 0.71 1.27 -0.06 -1.16 0.00 0.00 179.01 179.77 2k9a s PHE 52 N -4.52 2.23 0.11 4.33 0.40 -0.75 -4.95 117.98 114.82 2k9a s PHE 52 Ca -0.07 -0.25 0.03 0.00 -0.60 0.00 0.00 56.93 56.04 2k9a s PHE 52 Cb 0.14 -4.38 -0.04 0.00 0.51 0.00 0.00 43.02 39.25 2k9a s PHE 52 CO 0.79 -1.75 0.17 -1.21 0.70 0.00 0.00 175.22 173.92 2k9a s GLU 53 N 5.80 3.12 -0.84 0.44 2.02 -1.26 -4.82 118.70 123.16 2k9a s GLU 53 Ca 0.59 -0.67 -0.25 0.00 0.02 0.00 0.00 54.97 54.66 2k9a s GLU 53 Cb -0.02 -2.82 -0.02 0.00 0.10 0.00 0.00 34.13 31.37 2k9a s GLU 53 CO -0.01 0.54 1.77 0.34 0.02 0.00 0.00 175.26 177.93 2k9a s ASP 54 N -2.79 5.52 0.24 -0.19 2.15 -1.26 -4.92 116.67 115.42 2k9a s ASP 54 Ca 0.32 -0.57 0.01 0.00 0.43 0.00 0.00 52.55 52.74 2k9a s ASP 54 Cb -0.12 -2.55 -0.05 0.00 -0.30 0.00 0.00 42.92 39.90 2k9a s ASP 54 CO 0.25 -2.34 0.07 0.42 -0.17 0.00 0.00 175.17 173.40 2k9a s THR 55 N 8.49 0.61 -0.47 1.71 -4.23 -1.26 -5.05 115.64 115.44 2k9a s THR 55 Ca 0.62 -2.00 0.17 0.00 -1.18 0.00 0.00 61.69 59.30 2k9a s THR 55 Cb -0.07 -2.52 -0.22 0.00 1.34 0.00 0.00 72.50 71.03 2k9a s THR 55 CO 0.04 -0.11 0.57 -0.62 -0.54 0.00 0.00 174.62 173.96 2k9a n GLU 56 N -0.42 1.10 -2.88 3.99 1.02 -1.26 -4.96 120.64 117.23 2k9a n GLU 56 Ca -0.02 -0.06 -0.40 0.00 -0.02 0.00 0.00 57.16 56.66 2k9a n GLU 56 Cb 0.66 -1.34 -0.05 0.00 -0.02 0.00 0.00 31.44 30.69 2k9a n GLU 56 CO 0.00 0.00 0.00 -2.00 1.18 0.00 0.00 177.13 176.31 2k9a s GLU 57 N -2.83 4.59 -0.42 3.49 2.12 -1.26 -5.02 118.70 119.37 2k9a s GLU 57 Ca 0.01 1.23 -0.22 0.00 0.36 0.00 0.00 54.97 56.35 2k9a s GLU 57 Cb 0.12 -3.36 0.02 0.00 0.26 0.00 0.00 34.13 31.17 2k9a s GLU 57 CO 0.70 0.29 0.72 1.21 -0.54 0.00 0.00 175.26 177.64 2k9a s ASN 58 N -0.17 6.41 0.14 -1.70 3.84 -1.26 -5.05 114.94 117.15 2k9a s ASN 58 Ca 0.41 -0.07 -0.07 0.00 0.21 0.00 0.00 52.86 53.34 2k9a s ASN 58 Cb -0.22 -2.36 -0.06 0.00 -0.55 0.00 0.00 41.25 38.06 2k9a s ASN 58 CO 0.26 -0.80 0.41 -0.54 -2.79 0.00 0.00 177.10 173.64 2k9a s LYS 59 N 3.05 3.69 0.14 0.43 1.02 -1.26 -4.99 119.74 121.82 2k9a s LYS 59 Ca 0.27 0.06 0.27 0.00 0.02 0.00 0.00 55.97 56.59 2k9a s LYS 59 Cb -0.13 -2.86 0.94 0.00 -0.52 0.00 0.00 37.83 35.26 2k9a s LYS 59 CO 0.20 0.47 1.82 1.28 -0.92 0.00 0.00 175.35 178.20 2k9a n LEU 60 N 0.31 0.54 0.24 3.17 4.32 -1.26 -3.32 117.00 120.99 2k9a n LEU 60 Ca -0.04 0.54 0.16 0.00 -0.02 0.00 0.00 56.01 56.66 2k9a n LEU 60 Cb 0.52 -0.38 0.78 0.00 -1.62 0.00 0.00 43.42 42.72 2k9a n LEU 60 CO 0.46 -0.12 0.98 -0.29 -1.22 0.00 0.00 177.39 177.21 2k9a h ILE 61 N 0.00 0.00 0.00 -0.08 6.09 -2.03 -1.96 117.51 119.53 2k9a h ILE 61 Ca 0.00 -0.19 -0.05 0.00 -1.37 0.00 0.00 64.86 63.25 2k9a h ILE 61 Cb 0.66 1.02 -0.01 0.00 0.47 0.00 0.00 36.82 38.96 2k9a h ILE 61 CO 0.00 0.00 -0.24 1.88 -3.07 0.00 0.00 178.15 176.72 2k9a h TYR 62 N 0.00 0.00 0.16 2.19 -1.99 -1.99 -2.84 116.97 112.50 2k9a h TYR 62 Ca 0.00 0.00 -0.01 0.00 2.00 0.00 0.00 58.73 60.72 2k9a h TYR 62 Cb 0.22 0.00 0.00 0.00 2.00 0.00 0.00 36.73 38.95 2k9a h TYR 62 CO 0.00 0.24 -0.08 1.15 -0.00 0.00 0.00 178.16 179.48 2k9a h THR 63 N 0.00 0.98 -0.57 -2.88 2.02 -1.60 -1.50 112.91 109.36 2k9a h THR 63 Ca -0.00 -0.85 -0.09 0.00 0.77 0.00 0.00 66.41 66.23 2k9a h THR 63 Cb 0.71 1.48 -0.02 0.00 -1.74 0.00 0.00 68.15 68.58 2k9a h THR 63 CO 0.03 0.19 0.00 1.55 0.37 0.00 0.00 175.52 177.67 2k9a h PRO 64 N -0.65 1.00 -0.26 6.66 0.13 -1.71 -2.04 132.00 135.13 2k9a h PRO 64 Ca -0.02 -0.32 -0.02 0.00 -0.87 0.00 0.00 66.00 64.78 2k9a h PRO 64 Cb 0.48 -0.09 -0.01 0.00 0.13 0.00 0.00 31.00 31.50 2k9a h PRO 64 CO 0.04 0.99 0.10 0.82 -0.23 0.00 0.00 178.00 179.72 2k9a h ILE 65 N 0.89 1.17 -0.21 -3.56 2.04 -1.58 -1.42 117.51 114.85 2k9a h ILE 65 Ca 0.16 -0.53 0.00 0.00 1.00 0.00 0.00 64.86 65.49 2k9a h ILE 65 Cb 0.54 1.04 -0.01 0.00 -0.74 0.00 0.00 36.82 37.65 2k9a h ILE 65 CO 0.03 0.18 0.13 0.15 0.00 0.00 0.00 178.15 178.64 2k9a h PHE 66 N 0.27 0.25 0.00 1.37 3.57 -1.22 -1.86 116.94 119.32 2k9a h PHE 66 Ca 0.09 0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.58 2k9a h PHE 66 Cb 0.18 -0.08 -0.00 0.00 2.79 0.00 0.00 35.95 38.84 2k9a h PHE 66 CO -0.01 0.16 -0.06 -0.91 -2.23 0.00 0.00 178.31 175.26 2k9a h ASN 67 N 0.27 0.00 -0.41 0.41 2.35 -1.27 -1.68 115.58 115.26 2k9a h ASN 67 Ca 0.08 0.00 -0.11 0.00 -0.55 0.00 0.00 56.30 55.71 2k9a h ASN 67 Cb -0.03 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.33 2k9a h ASN 67 CO -0.02 0.06 -0.17 -0.08 -1.65 0.00 0.00 177.43 175.56 2k9a h GLU 68 N 0.00 0.89 -0.24 0.81 4.57 -0.45 -0.84 114.58 119.33 2k9a h GLU 68 Ca -0.00 -0.34 -0.14 0.00 -1.18 0.00 0.00 59.36 57.70 2k9a h GLU 68 Cb 0.10 -0.05 -0.01 0.00 -0.16 0.00 0.00 28.75 28.63 2k9a h GLU 68 CO 0.01 0.99 -0.42 -0.92 -1.18 0.00 0.00 179.01 177.48 2k9a h TYR 69 N 0.78 0.69 0.00 0.92 3.20 -0.84 0.20 116.97 121.92 2k9a h TYR 69 Ca 0.11 -0.21 -0.13 0.00 3.14 0.00 0.00 58.73 61.65 2k9a h TYR 69 Cb 0.71 -0.15 -0.02 0.00 1.54 0.00 0.00 36.73 38.81 2k9a h TYR 69 CO 0.04 0.91 -0.63 0.82 -1.64 0.00 0.00 178.16 177.66 2k9a h ILE 70 N 0.47 1.36 0.00 1.81 1.08 -1.24 -0.83 117.51 120.16 2k9a h ILE 70 Ca 0.04 -2.22 -0.20 0.00 -0.39 0.00 0.00 64.86 62.09 2k9a h ILE 70 Cb 0.93 2.23 -0.03 0.00 -3.07 0.00 0.00 36.82 36.88 2k9a h ILE 70 CO 0.08 0.62 -1.50 -0.24 -0.69 0.00 0.00 178.15 176.42 2k9a n SER 71 N -3.66 0.86 -0.05 1.72 2.88 -0.34 -3.14 113.62 111.89 2k9a n SER 71 Ca -0.01 0.39 -0.03 0.00 -1.33 0.00 0.00 58.87 57.88 2k9a n SER 71 Cb 0.65 0.11 -0.01 0.00 -0.75 0.00 0.00 64.21 64.21 2k9a n SER 71 CO 0.00 0.00 0.00 -0.11 -1.23 0.00 0.00 175.04 173.70 2k9a n LEU 72 N -2.93 1.32 0.14 2.46 -0.00 0.68 -4.12 117.00 114.55 2k9a n LEU 72 Ca -0.12 0.53 -0.06 0.00 -0.00 0.00 0.00 56.01 56.36 2k9a n LEU 72 Cb 0.90 -0.77 -0.03 0.00 -0.00 0.00 0.00 43.42 43.51 2k9a n LEU 72 CO 0.43 -0.48 0.18 0.58 -0.00 0.00 0.00 177.39 178.11 2k9a h VAL 73 N -0.73 0.00 -0.96 1.96 2.07 -1.34 -2.32 116.25 114.93 2k9a h VAL 73 Ca 0.00 -0.59 0.18 0.00 0.82 0.00 0.00 66.70 67.11 2k9a h VAL 73 Cb 0.37 0.00 -0.09 0.00 -1.52 0.00 0.00 31.29 30.06 2k9a h VAL 73 CO 0.00 0.00 0.61 -0.08 0.02 0.00 0.00 177.57 178.12 2k9a h GLU 74 N -1.01 0.64 -0.21 1.57 4.81 -1.58 0.12 114.58 118.91 2k9a h GLU 74 Ca -0.04 -0.04 -0.16 0.00 -0.13 0.00 0.00 59.36 58.99 2k9a h GLU 74 Cb 0.32 -0.14 -0.01 0.00 0.63 0.00 0.00 28.75 29.55 2k9a h GLU 74 CO 0.07 0.42 -0.51 -0.22 -0.73 0.00 0.00 179.01 178.05 2k9a h LYS 75 N 0.66 0.59 -0.13 1.92 3.11 -1.64 -2.76 116.57 118.32 2k9a h LYS 75 Ca 0.52 -0.35 0.00 0.00 -2.81 0.00 0.00 60.65 58.01 2k9a h LYS 75 Cb 0.94 0.03 -0.01 0.00 -1.00 0.00 0.00 32.23 32.19 2k9a h LYS 75 CO -0.28 0.96 0.08 -0.92 -2.81 0.00 0.00 179.45 176.48 2k9a h TYR 76 N 0.47 0.15 -0.38 1.91 3.20 -0.20 -1.64 116.97 120.48 2k9a h TYR 76 Ca 0.02 0.00 -0.00 0.00 3.14 0.00 0.00 58.73 61.89 2k9a h TYR 76 Cb 1.04 -0.05 -0.02 0.00 1.54 0.00 0.00 36.73 39.25 2k9a h TYR 76 CO 0.05 0.10 0.22 0.82 -1.64 0.00 0.00 178.16 177.70 2k9a h ILE 77 N 0.17 1.13 -0.08 1.81 2.04 -1.36 -2.39 117.51 118.83 2k9a h ILE 77 Ca 0.05 -0.32 0.02 0.00 1.00 0.00 0.00 64.86 65.61 2k9a h ILE 77 Cb -0.02 0.67 -0.02 0.00 -0.74 0.00 0.00 36.82 36.71 2k9a h ILE 77 CO -0.01 0.13 -0.06 -0.08 0.00 0.00 0.00 178.15 178.13 2k9a h GLU 78 N 0.49 -0.07 -0.36 2.37 4.81 -1.31 -2.24 114.58 118.26 2k9a h GLU 78 Ca 0.13 0.00 0.04 0.00 -0.13 0.00 0.00 59.36 59.41 2k9a h GLU 78 Cb 0.02 0.02 -0.04 0.00 0.63 0.00 0.00 28.75 29.38 2k9a h GLU 78 CO -0.02 -0.05 0.12 0.93 -0.73 0.00 0.00 179.01 179.26 2k9a h GLU 79 N -0.07 0.26 -0.44 1.92 4.39 -1.20 -0.96 114.58 118.48 2k9a h GLU 79 Ca 0.05 -0.02 0.05 0.00 0.34 0.00 0.00 59.36 59.78 2k9a h GLU 79 Cb 0.15 -0.06 -0.02 0.00 -0.10 0.00 0.00 28.75 28.72 2k9a h GLU 79 CO -0.12 0.17 0.29 1.96 -1.16 0.00 0.00 179.01 180.15 2k9a h GLN 80 N 0.27 0.40 0.14 2.33 1.08 -1.18 -1.89 115.11 116.25 2k9a h GLN 80 Ca 0.16 -0.02 -0.31 0.00 -1.45 0.00 0.00 58.65 57.03 2k9a h GLN 80 Cb 0.14 -0.09 0.03 0.00 -0.05 0.00 0.00 27.48 27.52 2k9a h GLN 80 CO -0.17 0.26 -1.28 -0.07 -0.95 0.00 0.00 178.83 176.62 2k9a h LEU 81 N 0.41 0.88 -1.92 1.46 3.38 -0.77 -3.24 115.31 115.51 2k9a h LEU 81 Ca 0.19 -0.83 -0.02 0.00 0.09 0.00 0.00 57.88 57.31 2k9a h LEU 81 Cb 0.22 -0.28 -0.00 0.00 0.09 0.00 0.00 40.66 40.69 2k9a h LEU 81 CO -0.04 1.63 -0.08 -0.07 0.09 0.00 0.00 178.44 179.96 2k9a h LEU 82 N 0.27 0.00 -1.94 1.67 -0.00 -0.66 -2.43 115.31 112.21 2k9a h LEU 82 Ca -0.20 0.00 0.15 0.00 -0.00 0.00 0.00 57.88 57.83 2k9a h LEU 82 Cb 1.95 0.00 -0.02 0.00 -0.00 0.00 0.00 40.66 42.59 2k9a h LEU 82 CO 0.24 0.08 0.50 1.56 -0.00 0.00 0.00 178.44 180.83 2k9a h GLN 83 N 0.00 0.00 0.00 1.13 1.08 -1.38 -2.04 115.11 113.90 2k9a h GLN 83 Ca -0.00 0.00 -0.00 0.00 -1.45 0.00 0.00 58.65 57.20 2k9a h GLN 83 Cb 0.36 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 27.79 2k9a h GLN 83 CO 0.01 0.00 -1.12 -2.13 -0.95 0.00 0.00 178.83 174.64 2k9a n ARG 84 N -3.79 0.37 -3.90 1.46 0.63 -1.03 -4.91 116.66 105.49 2k9a n ARG 84 Ca 0.10 -0.02 -0.30 0.00 -0.92 0.00 0.00 57.85 56.70 2k9a n ARG 84 Cb 0.71 -1.06 -0.14 0.00 0.45 0.00 0.00 32.46 32.41 2k9a n ARG 84 CO 0.00 0.00 0.00 0.42 -2.51 0.00 0.00 177.63 175.54 2k9a s ILE 85 N -2.17 2.17 -1.47 5.15 1.01 -0.77 -4.94 121.20 120.18 2k9a s ILE 85 Ca -0.01 -2.83 0.23 0.00 0.00 0.00 0.00 60.65 58.04 2k9a s ILE 85 Cb 0.02 -2.53 0.42 0.00 0.01 0.00 0.00 42.46 40.37 2k9a s ILE 85 CO 0.11 -0.77 1.75 -0.81 0.00 0.00 0.00 174.94 175.22 2k9a n PRO 86 N 3.56 0.35 -0.26 2.79 -0.04 -1.22 -2.51 135.00 137.66 2k9a n PRO 86 Ca 0.05 0.06 0.07 0.00 -0.04 0.00 0.00 63.50 63.65 2k9a n PRO 86 Cb 0.35 -1.50 0.19 0.00 -0.04 0.00 0.00 33.50 32.50 2k9a n PRO 86 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 2k9a n GLU 87 N -1.27 2.60 -1.92 0.54 1.02 -1.26 -5.04 120.64 115.32 2k9a n GLU 87 Ca 0.11 -2.47 -0.37 0.00 -0.02 0.00 0.00 57.16 54.41 2k9a n GLU 87 Cb 0.18 -1.56 0.04 0.00 -0.02 0.00 0.00 31.44 30.08 2k9a n GLU 87 CO 0.00 0.00 0.00 0.12 1.18 0.00 0.00 177.13 178.43 2k9a s PHE 88 N -2.23 2.35 -0.43 -0.32 5.36 -1.05 -5.01 117.98 116.65 2k9a s PHE 88 Ca 0.31 1.47 0.02 0.00 -0.96 0.00 0.00 56.93 57.77 2k9a s PHE 88 Cb 0.24 -3.62 0.14 0.00 -0.34 0.00 0.00 43.02 39.45 2k9a s PHE 88 CO 0.08 -2.49 0.25 -0.80 -1.46 0.00 0.00 175.22 170.80 2k9a s ASN 89 N -1.32 3.48 0.50 6.13 -0.87 -1.26 -4.96 114.94 116.64 2k9a s ASN 89 Ca 0.75 -2.62 0.26 0.00 -1.57 0.00 0.00 52.86 49.68 2k9a s ASN 89 Cb -0.35 -0.93 1.33 0.00 -0.02 0.00 0.00 41.25 41.28 2k9a s ASN 89 CO 0.39 -0.26 2.02 -0.03 -2.57 0.00 0.00 177.10 176.65 2k9a h MET 90 N 6.67 0.00 0.35 -0.60 4.05 -1.98 -0.63 114.93 122.79 2k9a h MET 90 Ca 0.02 0.00 -0.02 0.00 -0.28 0.00 0.00 59.70 59.42 2k9a h MET 90 Cb 0.93 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.73 2k9a h MET 90 CO 0.45 0.15 -0.17 0.00 0.23 0.00 0.00 176.91 177.57 2k9a h ALA 91 N 1.85 -0.46 0.00 0.39 0.00 -2.00 -1.93 119.26 117.11 2k9a h ALA 91 Ca -0.00 -0.19 -0.11 0.00 0.00 0.00 0.00 54.91 54.61 2k9a h ALA 91 Cb 0.42 0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.37 2k9a h ALA 91 CO 0.02 -0.56 -0.53 0.00 0.00 0.00 0.00 179.25 178.18 2k9a h ALA 92 N -0.44 1.01 0.02 0.00 0.00 -1.98 -2.70 119.26 115.17 2k9a h ALA 92 Ca -0.05 -0.48 -0.00 0.00 0.00 0.00 0.00 54.91 54.38 2k9a h ALA 92 Cb 0.53 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.23 2k9a h ALA 92 CO 0.08 0.67 -0.01 0.35 0.00 0.00 0.00 179.25 180.33 2k9a h PHE 93 N 0.00 -0.02 -0.40 0.00 3.57 -1.14 -2.15 116.94 116.79 2k9a h PHE 93 Ca -0.01 -0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.47 2k9a h PHE 93 Cb 1.01 0.01 -0.02 0.00 2.79 0.00 0.00 35.95 39.74 2k9a h PHE 93 CO 0.00 0.29 0.15 1.79 -2.23 0.00 0.00 178.31 178.31 2k9a h THR 94 N -0.34 1.20 -0.67 4.41 1.35 -1.37 0.35 112.91 117.85 2k9a h THR 94 Ca -0.00 -0.63 0.07 0.00 -0.55 0.00 0.00 66.41 65.30 2k9a h THR 94 Cb 0.33 0.87 -0.06 0.00 -1.73 0.00 0.00 68.15 67.55 2k9a h THR 94 CO 0.00 0.23 0.35 0.74 -0.25 0.00 0.00 175.52 176.59 2k9a h THR 95 N 0.50 0.91 -0.05 6.82 2.02 -1.49 -1.20 112.91 120.42 2k9a h THR 95 Ca 0.13 -0.21 -0.17 0.00 0.77 0.00 0.00 66.41 66.93 2k9a h THR 95 Cb 0.21 0.23 -0.01 0.00 -1.74 0.00 0.00 68.15 66.84 2k9a h THR 95 CO -0.01 0.11 -0.70 0.74 0.37 0.00 0.00 175.52 176.03 2k9a h THR 96 N 0.62 1.41 -0.49 3.16 2.02 -1.21 -3.17 112.91 115.25 2k9a h THR 96 Ca 0.31 -2.18 -0.04 0.00 0.77 0.00 0.00 66.41 65.28 2k9a h THR 96 Cb 0.26 2.14 -0.02 0.00 -1.74 0.00 0.00 68.15 68.79 2k9a h THR 96 CO -0.22 0.64 0.15 0.25 0.37 0.00 0.00 175.52 176.72 2k9a h LEU 97 N 0.19 0.67 -0.89 2.58 6.46 -0.00 0.70 115.31 125.01 2k9a h LEU 97 Ca -0.02 -0.09 0.18 0.00 -0.12 0.00 0.00 57.88 57.83 2k9a h LEU 97 Cb 1.25 -0.17 -0.11 0.00 -0.73 0.00 0.00 40.66 40.90 2k9a h LEU 97 CO 0.11 0.64 0.44 1.56 -0.62 0.00 0.00 178.44 180.57 2k9a h GLN 98 N 0.71 0.53 0.00 1.25 4.20 -1.22 0.13 115.11 120.71 2k9a h GLN 98 Ca 0.17 -0.03 -0.32 0.00 0.06 0.00 0.00 58.65 58.53 2k9a h GLN 98 Cb 0.21 -0.12 -0.06 0.00 0.30 0.00 0.00 27.48 27.81 2k9a h GLN 98 CO -0.01 0.35 -2.17 -2.39 -0.67 0.00 0.00 178.83 173.95 2k9a n HIS 99 N -4.93 0.27 0.71 2.96 1.44 -1.11 -4.08 115.22 110.48 2k9a n HIS 99 Ca 0.20 0.09 0.08 0.00 -2.01 0.00 0.00 57.72 56.08 2k9a n HIS 99 Cb 0.54 -1.01 0.38 0.00 0.12 0.00 0.00 29.99 30.03 2k9a n HIS 99 CO 0.00 0.00 0.00 1.58 -2.81 0.00 0.00 176.34 175.11 2k9a n HIS 100 N -2.79 0.00 0.30 -1.40 -0.00 0.22 -2.64 115.22 108.92 2k9a n HIS 100 Ca -0.26 0.00 0.20 0.00 -0.00 0.00 0.00 57.72 57.65 2k9a n HIS 100 Cb 1.08 -0.31 1.04 0.00 -0.00 0.00 0.00 29.99 31.80 2k9a n HIS 100 CO 0.00 0.00 0.00 -0.22 -0.00 0.00 0.00 176.34 176.12 2k9a h LYS 101 N 0.00 0.00 0.00 1.57 3.64 -0.91 -1.21 116.57 119.66 2k9a h LYS 101 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 2k9a h LYS 101 Cb 0.16 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.98 2k9a h LYS 101 CO 0.00 0.00 0.00 0.22 -2.27 0.00 0.00 179.45 177.40 2k9a h ASP 102 N 0.00 0.00 0.00 4.20 3.58 -1.80 -3.31 116.42 119.09 2k9a h ASP 102 Ca 0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 2k9a h ASP 102 Cb 0.04 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.09 2k9a h ASP 102 CO 0.00 0.00 -0.21 1.21 -2.88 0.00 0.00 179.24 177.36 2k9a n GLU 103 N -2.82 0.11 -1.63 0.28 2.13 -0.47 -5.03 120.64 113.22 2k9a n GLU 103 Ca -0.02 0.04 -0.38 0.00 0.66 0.00 0.00 57.16 57.46 2k9a n GLU 103 Cb 0.08 -0.55 0.04 0.00 0.27 0.00 0.00 31.44 31.28 2k9a n GLU 103 CO 0.00 0.00 0.00 1.55 -0.41 0.00 0.00 177.13 178.27 2k9a n VAL 104 N -3.07 3.45 -1.44 6.31 3.14 -1.17 -4.76 118.33 120.80 2k9a n VAL 104 Ca -0.03 -0.50 -0.49 0.00 -2.96 0.00 0.00 64.34 60.36 2k9a n VAL 104 Cb 0.11 -1.21 -0.08 0.00 -1.06 0.00 0.00 33.84 31.60 2k9a n VAL 104 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 2k9a n ALA 105 N -1.42 0.92 0.15 1.55 0.00 -1.26 -4.77 120.51 115.68 2k9a n ALA 105 Ca 0.12 -0.13 0.01 0.00 0.00 0.00 0.00 53.44 53.45 2k9a n ALA 105 Cb 0.45 -2.54 0.34 0.00 0.00 0.00 0.00 19.45 17.70 2k9a n ALA 105 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 2k9a h GLY 106 N 12.70 0.11 1.00 0.00 0.00 -1.86 -2.66 103.07 112.35 2k9a h GLY 106 Ca -0.23 -0.09 -0.04 0.00 0.00 0.00 0.00 47.33 46.97 2k9a h GLY 106 CO 1.07 0.08 0.23 -1.80 0.00 0.00 0.00 176.54 176.12 2k9a h ASP 107 N 0.09 0.85 -0.02 0.19 1.82 -1.96 0.23 116.42 117.62 2k9a h ASP 107 Ca 0.01 -0.18 -0.00 0.00 -0.39 0.00 0.00 57.03 56.47 2k9a h ASP 107 Cb 0.63 -0.22 -0.00 0.00 0.68 0.00 0.00 39.33 40.42 2k9a h ASP 107 CO 0.05 0.80 -0.01 0.40 -1.61 0.00 0.00 179.24 178.87 2k9a h ILE 108 N 0.84 1.33 0.00 2.25 2.04 -1.91 -3.07 117.51 118.99 2k9a h ILE 108 Ca 0.20 -0.98 -0.05 0.00 1.00 0.00 0.00 64.86 65.03 2k9a h ILE 108 Cb 0.23 1.95 -0.01 0.00 -0.74 0.00 0.00 36.82 38.25 2k9a h ILE 108 CO -0.01 0.26 -0.23 0.15 0.00 0.00 0.00 178.15 178.32 2k9a h PHE 109 N -0.36 0.00 -1.13 1.37 3.57 -1.43 -2.71 116.94 116.25 2k9a h PHE 109 Ca 0.00 0.00 0.33 0.00 3.53 0.00 0.00 57.97 61.83 2k9a h PHE 109 Cb 0.42 0.00 -0.05 0.00 2.79 0.00 0.00 35.95 39.12 2k9a h PHE 109 CO 0.07 0.23 0.83 0.22 -2.23 0.00 0.00 178.31 177.43 2k9a h ASP 110 N 0.00 0.00 0.06 0.41 1.82 -0.44 0.57 116.42 118.84 2k9a h ASP 110 Ca -0.00 0.00 -0.00 0.00 -0.39 0.00 0.00 57.03 56.63 2k9a h ASP 110 Cb 0.45 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.46 2k9a h ASP 110 CO 0.03 0.00 -0.03 -0.03 -1.61 0.00 0.00 179.24 177.60 2k9a h MET 111 N 0.00 -0.08 0.00 0.28 4.05 -1.61 -3.12 114.93 114.46 2k9a h MET 111 Ca 0.54 0.01 -0.02 0.00 -0.28 0.00 0.00 59.70 59.94 2k9a h MET 111 Cb 2.19 0.02 -0.00 0.00 -0.80 0.00 0.00 31.60 33.01 2k9a h MET 111 CO -0.01 0.43 -0.09 -0.07 0.23 0.00 0.00 176.91 177.40 2k9a h LEU 112 N -0.64 0.00 -1.88 3.39 3.38 -0.66 -2.77 115.31 116.12 2k9a h LEU 112 Ca -0.01 0.00 0.20 0.00 0.09 0.00 0.00 57.88 58.16 2k9a h LEU 112 Cb 0.55 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.27 2k9a h LEU 112 CO 0.01 0.09 0.62 0.25 0.09 0.00 0.00 178.44 179.51 2k9a h LEU 113 N 0.00 0.00 0.00 1.67 5.85 0.01 0.25 115.31 123.09 2k9a h LEU 113 Ca -0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 2k9a h LEU 113 Cb 0.37 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.40 2k9a h LEU 113 CO 0.01 0.00 0.00 0.35 -0.34 0.00 0.00 178.44 178.46 2k9a n THR 114 N -3.84 0.00 0.04 1.05 -2.24 -1.05 -2.28 114.28 105.97 2k9a n THR 114 Ca 0.14 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.92 2k9a n THR 114 Cb 0.86 -0.89 0.32 0.00 -2.10 0.00 0.00 70.33 68.52 2k9a n THR 114 CO 0.00 0.00 0.00 -0.26 -0.57 0.00 0.00 175.07 174.24 2k9a h PHE 115 N 0.00 0.44 0.00 4.78 0.04 -1.22 -3.39 116.94 117.59 2k9a h PHE 115 Ca 0.00 -0.05 0.00 0.00 2.80 0.00 0.00 57.97 60.72 2k9a h PHE 115 Cb 0.00 -0.12 0.00 0.00 2.20 0.00 0.00 35.95 38.03 2k9a h PHE 115 CO 0.00 0.50 -0.09 0.25 -0.60 0.00 0.00 178.31 178.37 2k9a n THR 116 N -4.26 0.00 -1.97 -1.55 -2.24 -1.03 -4.99 114.28 98.24 2k9a n THR 116 Ca 0.00 0.00 -0.25 0.00 -2.27 0.00 0.00 64.05 61.54 2k9a n THR 116 Cb 0.27 -0.08 -0.06 0.00 -2.10 0.00 0.00 70.33 68.37 2k9a n THR 116 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2k9a s ASP 117 N -1.79 4.84 0.50 3.42 -1.08 -0.96 -4.75 116.67 116.85 2k9a s ASP 117 Ca 0.00 -0.92 0.15 0.00 -0.52 0.00 0.00 52.55 51.26 2k9a s ASP 117 Cb 0.00 -2.57 1.21 0.00 -1.46 0.00 0.00 42.92 40.10 2k9a s ASP 117 CO 0.00 -3.13 2.13 0.15 0.52 0.00 0.00 175.17 174.84 2k9a h PHE 118 N 10.98 0.04 -0.86 -5.34 3.57 -1.88 -1.77 116.94 121.68 2k9a h PHE 118 Ca 0.12 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.61 2k9a h PHE 118 Cb 0.98 -0.01 -0.04 0.00 2.79 0.00 0.00 35.95 39.67 2k9a h PHE 118 CO 1.19 0.04 0.50 -0.07 -2.23 0.00 0.00 178.31 177.75 2k9a h LEU 119 N 0.05 1.05 -0.35 0.59 4.07 -1.99 -1.64 115.31 117.08 2k9a h LEU 119 Ca 0.01 -0.07 -0.17 0.00 0.08 0.00 0.00 57.88 57.73 2k9a h LEU 119 Cb 0.02 -0.27 -0.02 0.00 1.08 0.00 0.00 40.66 41.47 2k9a h LEU 119 CO -0.00 0.82 -0.82 0.00 -1.08 0.00 0.00 178.44 177.35 2k9a h ALA 120 N 1.36 0.64 0.38 1.53 0.00 -1.73 -2.22 119.26 119.21 2k9a h ALA 120 Ca 0.31 -0.74 -0.02 0.00 0.00 0.00 0.00 54.91 54.45 2k9a h ALA 120 Cb -0.03 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.64 2k9a h ALA 120 CO -0.06 1.02 -0.18 0.35 0.00 0.00 0.00 179.25 180.38 2k9a h PHE 121 N 0.01 -0.48 -0.35 0.00 3.57 -0.90 0.47 116.94 119.26 2k9a h PHE 121 Ca -0.01 -0.01 -0.05 0.00 3.53 0.00 0.00 57.97 61.43 2k9a h PHE 121 Cb 1.46 0.16 -0.01 0.00 2.79 0.00 0.00 35.95 40.34 2k9a h PHE 121 CO 0.00 -0.19 0.02 -0.22 -2.23 0.00 0.00 178.31 175.69 2k9a h LYS 122 N -0.71 0.61 -0.15 1.11 3.64 -1.41 -2.67 116.57 116.99 2k9a h LYS 122 Ca -0.05 -0.18 -0.01 0.00 -1.27 0.00 0.00 60.65 59.14 2k9a h LYS 122 Cb 0.50 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 32.25 2k9a h LYS 122 CO 0.09 0.71 0.07 1.49 -2.27 0.00 0.00 179.45 179.53 2k9a h GLU 123 N 0.43 0.20 -0.15 1.90 4.57 -1.41 -1.59 114.58 118.53 2k9a h GLU 123 Ca 0.10 -0.02 -0.03 0.00 -1.18 0.00 0.00 59.36 58.24 2k9a h GLU 123 Cb 0.42 -0.04 -0.01 0.00 -0.16 0.00 0.00 28.75 28.96 2k9a h GLU 123 CO 0.01 0.16 -0.00 1.98 -1.18 0.00 0.00 179.01 179.98 2k9a h MET 124 N 0.20 0.27 -0.39 1.92 4.05 -0.56 -2.24 114.93 118.18 2k9a h MET 124 Ca 0.05 -0.09 -0.06 0.00 -0.28 0.00 0.00 59.70 59.32 2k9a h MET 124 Cb 0.03 -0.02 -0.01 0.00 -0.80 0.00 0.00 31.60 30.79 2k9a h MET 124 CO -0.01 0.50 0.00 0.74 0.23 0.00 0.00 176.91 178.38 2k9a h PHE 125 N 0.01 0.75 -0.74 1.39 0.04 -1.21 -2.55 116.94 114.64 2k9a h PHE 125 Ca 0.04 -0.13 0.05 0.00 2.80 0.00 0.00 57.97 60.73 2k9a h PHE 125 Cb 0.38 -0.20 -0.05 0.00 2.20 0.00 0.00 35.95 38.28 2k9a h PHE 125 CO 0.04 0.77 0.45 -0.07 -0.60 0.00 0.00 178.31 178.89 2k9a h LEU 126 N 0.52 0.70 -0.55 1.54 4.07 -1.30 -0.42 115.31 119.87 2k9a h LEU 126 Ca 0.11 0.01 -0.02 0.00 0.08 0.00 0.00 57.88 58.07 2k9a h LEU 126 Cb 0.47 -0.13 -0.03 0.00 1.08 0.00 0.00 40.66 42.05 2k9a h LEU 126 CO 0.02 0.47 0.27 -0.78 -1.08 0.00 0.00 178.44 177.34 2k9a h ASP 127 N 0.84 0.71 -0.19 -0.43 3.58 -1.30 -1.69 116.42 117.94 2k9a h ASP 127 Ca 0.31 -0.12 -0.04 0.00 0.42 0.00 0.00 57.03 57.60 2k9a h ASP 127 Cb 0.11 -0.18 -0.02 0.00 1.72 0.00 0.00 39.33 40.96 2k9a h ASP 127 CO -0.15 0.63 -0.00 0.22 -2.88 0.00 0.00 179.24 177.07 2k9a h TYR 128 N 0.74 0.46 -0.33 0.28 3.20 -0.96 -2.53 116.97 117.84 2k9a h TYR 128 Ca 0.19 -0.04 -0.09 0.00 3.14 0.00 0.00 58.73 61.94 2k9a h TYR 128 Cb 0.10 -0.14 -0.01 0.00 1.54 0.00 0.00 36.73 38.23 2k9a h TYR 128 CO -0.01 0.46 -0.13 -0.09 -1.64 0.00 0.00 178.16 176.76 2k9a h ARG 129 N 0.44 0.67 -0.47 1.82 2.43 -0.54 -2.99 114.38 115.75 2k9a h ARG 129 Ca 0.10 -0.28 -0.02 0.00 -0.81 0.00 0.00 59.98 58.97 2k9a h ARG 129 Cb 0.29 -0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 29.79 2k9a h ARG 129 CO 0.01 0.87 0.21 0.00 -1.51 0.00 0.00 179.97 179.54 2k9a h ALA 130 N 0.78 1.48 0.00 2.80 0.00 -1.02 -1.77 119.26 121.53 2k9a h ALA 130 Ca 0.08 -0.11 -0.06 0.00 0.00 0.00 0.00 54.91 54.82 2k9a h ALA 130 Cb 0.65 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 2k9a h ALA 130 CO 0.04 0.41 -0.28 1.49 0.00 0.00 0.00 179.25 180.91 2k9a h GLU 131 N 0.66 0.00 0.00 0.00 4.57 -1.33 -2.20 114.58 116.28 2k9a h GLU 131 Ca 0.16 0.00 -0.02 0.00 -1.18 0.00 0.00 59.36 58.33 2k9a h GLU 131 Cb 0.10 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 28.69 2k9a h GLU 131 CO -0.02 0.28 -0.09 0.87 -1.18 0.00 0.00 179.01 178.87 2k9a h LYS 132 N 0.00 0.00 0.00 1.92 1.79 -1.18 -2.32 116.57 116.78 2k9a h LYS 132 Ca -0.00 0.00 -0.03 0.00 -2.18 0.00 0.00 60.65 58.44 2k9a h LYS 132 Cb 0.50 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 31.14 2k9a h LYS 132 CO 0.04 0.09 -0.13 0.93 -1.08 0.00 0.00 179.45 179.30 2k9a h GLU 133 N 0.00 0.00 0.00 3.15 5.08 -1.43 -3.46 114.58 117.92 2k9a h GLU 133 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2k9a h GLU 133 Cb 0.33 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.58 2k9a h GLU 133 CO 0.01 0.13 0.00 0.41 -1.00 0.00 0.00 179.01 178.56 2k9a n GLY 134 N -1.16 3.07 3.83 -3.84 0.00 -0.88 -5.03 105.19 101.18 2k9a n GLY 134 Ca -0.03 -0.66 -0.37 0.00 0.00 0.00 0.00 46.02 44.97 2k9a n GLY 134 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2k9a s ARG 135 N 0.00 4.07 0.00 1.61 1.70 -1.26 -5.09 118.95 119.98 2k9a s ARG 135 Ca 0.00 0.60 0.00 0.00 -0.47 0.00 0.00 55.73 55.86 2k9a s ARG 135 Cb 0.00 -3.06 0.00 0.00 -0.57 0.00 0.00 34.95 31.32 2k9a s ARG 135 CO 0.00 0.55 0.00 0.41 -1.08 0.00 0.00 175.30 175.18