#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 1.26 0.19 6.12 8.00 -1.26 -5.09 116.55 125.76 2k9a n ASP 2 Ca 0.00 -0.98 -0.07 0.00 0.71 0.00 0.00 54.79 54.45 2k9a n ASP 2 Cb 0.00 0.00 -0.04 0.00 -0.02 0.00 0.00 41.12 41.06 2k9a n ASP 2 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2k9a h ALA 3 N 1.00 -0.91 -1.13 2.24 0.00 -2.09 -3.45 119.26 114.92 2k9a h ALA 3 Ca 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.80 2k9a h ALA 3 Cb 0.00 0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.98 2k9a h ALA 3 CO 0.00 -0.87 0.00 -0.11 0.00 0.00 0.00 179.25 178.27 2k9a n LEU 4 N -3.59 0.00 0.00 0.00 7.94 -1.26 -5.04 117.00 115.04 2k9a n LEU 4 Ca -0.06 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.84 2k9a n LEU 4 Cb 0.19 -0.18 0.00 0.00 0.53 0.00 0.00 43.42 43.96 2k9a n LEU 4 CO 0.15 -0.31 0.00 1.21 -1.11 0.00 0.00 177.39 177.32 2k9a n GLU 5 N -2.04 0.09 0.00 1.96 2.13 -1.26 -5.16 120.64 116.36 2k9a n GLU 5 Ca 0.00 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.82 2k9a n GLU 5 Cb 0.00 -0.02 0.00 0.00 0.27 0.00 0.00 31.44 31.69 2k9a n GLU 5 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2k9a n GLY 6 N -0.26 -0.55 3.27 8.31 0.00 -1.26 -4.98 105.19 109.71 2k9a n GLY 6 Ca 0.00 -0.41 -0.14 0.00 0.00 0.00 0.00 46.02 45.46 2k9a n GLY 6 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2k9a s GLU 7 N -1.78 1.18 0.24 1.61 -1.05 -1.26 -5.05 118.70 112.59 2k9a s GLU 7 Ca 0.00 -1.58 0.00 0.00 -0.15 0.00 0.00 54.97 53.25 2k9a s GLU 7 Cb 0.00 -0.36 -0.05 0.00 -0.44 0.00 0.00 34.13 33.29 2k9a s GLU 7 CO 0.00 -0.13 0.11 0.45 0.95 0.00 0.00 175.26 176.65 2k9a s SER 8 N -3.21 0.78 0.91 0.83 0.15 -1.26 -5.11 113.70 106.78 2k9a s SER 8 Ca 0.26 -1.40 0.00 0.00 0.70 0.00 0.00 55.95 55.51 2k9a s SER 8 Cb 0.06 0.26 0.00 0.00 -1.71 0.00 0.00 66.02 64.63 2k9a s SER 8 CO 0.06 -0.78 0.00 0.49 1.20 0.00 0.00 173.24 174.20 2k9a n PHE 9 N -0.39 -1.56 -4.74 3.44 3.72 -1.26 -4.97 117.46 111.70 2k9a n PHE 9 Ca 0.01 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.41 2k9a n PHE 9 Cb 0.66 0.24 0.00 0.00 -0.94 0.00 0.00 39.48 39.44 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 0.65 0.00 -2.05 4.37 0.00 -1.26 -4.85 120.51 117.38 2k9a n ALA 10 Ca 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 53.44 53.21 2k9a n ALA 10 Cb 0.00 0.00 0.04 0.00 0.00 0.00 0.00 19.45 19.49 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 0.00 3.26 -0.25 0.00 1.43 -1.26 -5.10 118.68 116.76 2k9a s LEU 11 Ca 0.00 0.20 -0.02 0.00 -1.03 0.00 0.00 54.13 53.28 2k9a s LEU 11 Cb 0.00 -3.03 0.13 0.00 0.03 0.00 0.00 46.19 43.32 2k9a s LEU 11 CO 0.00 -1.13 0.31 -0.44 0.23 0.00 0.00 176.35 175.32 2k9a s SER 12 N -4.39 1.05 0.00 2.29 0.01 -1.26 -4.96 113.70 106.45 2k9a s SER 12 Ca 0.56 -0.29 0.00 0.00 1.31 0.00 0.00 55.95 57.53 2k9a s SER 12 Cb -0.10 0.71 0.00 0.00 0.21 0.00 0.00 66.02 66.83 2k9a s SER 12 CO 0.40 -0.34 0.00 2.22 0.41 0.00 0.00 173.24 175.93 2k9a n PHE 13 N 5.33 0.00 -0.18 2.43 -1.74 -1.26 -4.82 117.46 117.22 2k9a n PHE 13 Ca -0.03 0.00 0.00 0.00 -0.56 0.00 0.00 57.45 56.86 2k9a n PHE 13 Cb 0.49 0.00 0.00 0.00 1.52 0.00 0.00 39.48 41.49 2k9a n PHE 13 CO 0.00 0.00 0.00 0.43 -0.56 0.00 0.00 176.76 176.63 2k9a n SER 14 N 0.00 0.80 0.09 5.98 7.64 -1.26 -4.65 113.62 122.21 2k9a n SER 14 Ca 0.00 -0.99 0.10 0.00 1.01 0.00 0.00 58.87 59.00 2k9a n SER 14 Cb 0.11 0.02 -0.03 0.00 -1.01 0.00 0.00 64.21 63.30 2k9a n SER 14 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 2k9a n SER 15 N -0.02 0.75 0.34 6.43 3.41 -1.26 -3.79 113.62 119.48 2k9a n SER 15 Ca 0.00 0.29 0.21 0.00 -0.26 0.00 0.00 58.87 59.11 2k9a n SER 15 Cb 0.05 0.60 1.10 0.00 -0.26 0.00 0.00 64.21 65.69 2k9a n SER 15 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2k9a h ALA 16 N 1.95 1.12 0.00 7.33 0.00 -1.91 0.65 119.26 128.40 2k9a h ALA 16 Ca -0.02 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.89 2k9a h ALA 16 Cb 1.05 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.84 2k9a h ALA 16 CO 0.00 -0.10 -0.06 -1.13 0.00 0.00 0.00 179.25 177.96 2k9a n SER 17 N -3.05 1.77 0.00 0.00 3.41 -1.26 -3.71 113.62 110.79 2k9a n SER 17 Ca -0.03 -2.42 0.00 0.00 -0.26 0.00 0.00 58.87 56.16 2k9a n SER 17 Cb 0.17 -0.22 0.00 0.00 -0.26 0.00 0.00 64.21 63.89 2k9a n SER 17 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 2k9a n ASP 18 N -0.84 0.00 0.21 4.04 2.03 -0.18 -4.83 116.55 116.98 2k9a n ASP 18 Ca 0.07 0.00 -0.12 0.00 0.52 0.00 0.00 54.79 55.26 2k9a n ASP 18 Cb 0.50 0.00 -0.07 0.00 -0.72 0.00 0.00 41.12 40.84 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 0.63 -0.57 -0.87 -1.67 0.00 -1.68 -2.41 119.26 112.69 2k9a h ALA 19 Ca 0.00 -0.18 0.03 0.00 0.00 0.00 0.00 54.91 54.75 2k9a h ALA 19 Cb 0.00 0.22 -0.05 0.00 0.00 0.00 0.00 17.79 17.96 2k9a h ALA 19 CO 0.00 -0.61 0.57 1.49 0.00 0.00 0.00 179.25 180.70 2k9a h GLU 20 N -1.00 1.08 0.33 0.00 4.81 -0.09 -1.25 114.58 118.47 2k9a h GLU 20 Ca -0.06 -0.07 -0.00 0.00 -0.13 0.00 0.00 59.36 59.10 2k9a h GLU 20 Cb 0.55 -0.24 -0.02 0.00 0.63 0.00 0.00 28.75 29.67 2k9a h GLU 20 CO 0.10 0.72 -0.28 0.35 -0.73 0.00 0.00 179.01 179.16 2k9a h PHE 21 N 1.12 -0.75 0.00 0.92 3.57 -1.51 -1.36 116.94 118.92 2k9a h PHE 21 Ca 0.34 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.83 2k9a h PHE 21 Cb -0.03 0.29 -0.00 0.00 2.79 0.00 0.00 35.95 39.00 2k9a h PHE 21 CO -0.02 -0.42 -0.04 0.22 -2.23 0.00 0.00 178.31 175.83 2k9a h ASP 22 N -0.63 0.00 0.03 0.41 1.82 -1.22 -1.09 116.42 115.75 2k9a h ASP 22 Ca -0.02 0.00 -0.00 0.00 -0.39 0.00 0.00 57.03 56.62 2k9a h ASP 22 Cb 0.56 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.57 2k9a h ASP 22 CO -0.03 0.04 -0.01 0.00 -1.61 0.00 0.00 179.24 177.62 2k9a h ALA 23 N 1.96 -0.04 0.25 -0.78 0.00 -0.44 -0.77 119.26 119.45 2k9a h ALA 23 Ca -0.00 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.77 2k9a h ALA 23 Cb 0.07 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.88 2k9a h ALA 23 CO 0.00 -0.39 -0.12 0.28 0.00 0.00 0.00 179.25 179.02 2k9a h VAL 24 N -0.29 0.81 -0.71 0.00 2.07 -0.77 -2.61 116.25 114.75 2k9a h VAL 24 Ca -0.00 -0.45 0.15 0.00 0.82 0.00 0.00 66.70 67.21 2k9a h VAL 24 Cb 0.28 1.07 -0.04 0.00 -1.52 0.00 0.00 31.29 31.07 2k9a h VAL 24 CO 0.01 0.10 0.48 1.62 0.02 0.00 0.00 177.57 179.79 2k9a h VAL 25 N -0.57 0.78 -0.33 2.57 3.04 -1.27 -0.83 116.25 119.63 2k9a h VAL 25 Ca -0.03 -0.11 -0.04 0.00 -1.01 0.00 0.00 66.70 65.51 2k9a h VAL 25 Cb 0.42 0.44 -0.01 0.00 -2.01 0.00 0.00 31.29 30.12 2k9a h VAL 25 CO 0.06 0.06 0.06 1.23 -1.01 0.00 0.00 177.57 177.97 2k9a h GLY 26 N 0.31 0.58 1.39 3.17 0.00 -0.88 -2.63 103.07 105.01 2k9a h GLY 26 Ca 0.34 -0.38 -0.00 0.00 0.00 0.00 0.00 47.33 47.30 2k9a h GLY 26 CO -0.09 0.35 0.38 -0.97 0.00 0.00 0.00 176.54 176.21 2k9a h TYR 27 N 0.37 0.78 -0.26 5.60 0.05 -0.80 -2.38 116.97 120.34 2k9a h TYR 27 Ca 0.10 0.01 0.00 0.00 0.05 0.00 0.00 58.73 58.89 2k9a h TYR 27 Cb 0.33 -0.26 -0.01 0.00 1.01 0.00 0.00 36.73 37.80 2k9a h TYR 27 CO 0.02 0.51 0.17 -0.07 -1.05 0.00 0.00 178.16 177.74 2k9a h LEU 28 N 0.83 0.31 -0.94 3.88 3.38 -1.15 -2.42 115.31 119.19 2k9a h LEU 28 Ca 0.22 -0.03 0.05 0.00 0.09 0.00 0.00 57.88 58.22 2k9a h LEU 28 Cb -0.05 -0.08 -0.06 0.00 0.09 0.00 0.00 40.66 40.56 2k9a h LEU 28 CO -0.04 0.24 0.60 -0.33 0.09 0.00 0.00 178.44 179.00 2k9a h GLU 29 N 0.35 1.08 -0.34 1.13 5.08 -1.08 -0.59 114.58 120.20 2k9a h GLU 29 Ca 0.10 -0.07 -0.00 0.00 -1.00 0.00 0.00 59.36 58.39 2k9a h GLU 29 Cb -0.02 -0.24 -0.02 0.00 0.50 0.00 0.00 28.75 28.97 2k9a h GLU 29 CO -0.02 0.72 0.20 0.22 -1.00 0.00 0.00 179.01 179.13 2k9a h ASP 30 N 1.12 0.40 -0.11 1.42 3.58 -1.08 -2.14 116.42 119.60 2k9a h ASP 30 Ca 0.40 -0.02 -0.23 0.00 0.42 0.00 0.00 57.03 57.59 2k9a h ASP 30 Cb 0.12 -0.10 0.01 0.00 1.72 0.00 0.00 39.33 41.08 2k9a h ASP 30 CO -0.16 0.31 -0.85 0.40 -2.88 0.00 0.00 179.24 176.07 2k9a h ILE 31 N 0.47 1.28 -0.53 2.25 2.04 -0.69 -2.17 117.51 120.15 2k9a h ILE 31 Ca 0.12 -2.04 -0.00 0.00 1.00 0.00 0.00 64.86 63.94 2k9a h ILE 31 Cb -0.01 2.08 -0.03 0.00 -0.74 0.00 0.00 36.82 38.13 2k9a h ILE 31 CO -0.02 0.64 0.33 0.40 0.00 0.00 0.00 178.15 179.50 2k9a h ILE 32 N 0.50 1.15 -0.22 -0.67 2.04 -0.65 -1.10 117.51 118.56 2k9a h ILE 32 Ca -0.07 -0.31 0.00 0.00 1.00 0.00 0.00 64.86 65.48 2k9a h ILE 32 Cb 1.48 0.39 0.00 0.00 -0.74 0.00 0.00 36.82 37.95 2k9a h ILE 32 CO 0.17 0.15 0.00 1.15 0.00 0.00 0.00 178.15 179.62 2k9a n MET 33 N -4.44 2.13 -2.25 2.37 0.00 -0.89 -4.67 117.12 109.38 2k9a n MET 33 Ca 0.05 -1.69 -0.41 0.00 0.00 0.00 0.00 57.70 55.64 2k9a n MET 33 Cb 0.07 -1.46 -0.03 0.00 0.00 0.00 0.00 33.22 31.80 2k9a n MET 33 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 175.97 176.31 2k9a s ASP 34 N -1.64 6.94 0.14 3.17 2.15 -0.42 -4.93 116.67 122.09 2k9a s ASP 34 Ca 0.35 2.36 -0.18 0.00 0.43 0.00 0.00 52.55 55.50 2k9a s ASP 34 Cb 0.20 -2.61 0.03 0.00 -0.30 0.00 0.00 42.92 40.24 2k9a s ASP 34 CO 0.30 -0.50 1.70 0.44 -0.17 0.00 0.00 175.17 176.94 2k9a h ASP 35 N 5.39 -0.20 -0.26 -0.34 3.32 -1.90 -0.55 116.42 121.88 2k9a h ASP 35 Ca -0.45 0.08 0.05 0.00 0.02 0.00 0.00 57.03 56.73 2k9a h ASP 35 Cb 1.21 0.15 -0.01 0.00 0.22 0.00 0.00 39.33 40.90 2k9a h ASP 35 CO 0.77 -0.06 0.18 -0.08 -1.72 0.00 0.00 179.24 178.32 2k9a h GLU 36 N 0.04 0.14 0.01 3.56 4.57 -1.93 -1.33 114.58 119.64 2k9a h GLU 36 Ca 0.14 -0.01 -0.22 0.00 -1.18 0.00 0.00 59.36 58.08 2k9a h GLU 36 Cb 0.20 -0.03 0.00 0.00 -0.16 0.00 0.00 28.75 28.76 2k9a h GLU 36 CO -0.27 0.10 -0.95 0.35 -1.18 0.00 0.00 179.01 177.06 2k9a h PHE 37 N 0.15 0.54 -0.28 0.92 3.57 -1.46 -2.36 116.94 118.03 2k9a h PHE 37 Ca 0.12 -0.30 -0.05 0.00 3.53 0.00 0.00 57.97 61.26 2k9a h PHE 37 Cb 0.27 -0.06 -0.01 0.00 2.79 0.00 0.00 35.95 38.95 2k9a h PHE 37 CO -0.00 1.13 -0.03 1.96 -2.23 0.00 0.00 178.31 179.14 2k9a h GLN 38 N 0.20 0.52 -0.14 1.11 4.20 -0.06 -0.88 115.11 120.06 2k9a h GLN 38 Ca -0.08 -0.18 -0.05 0.00 0.06 0.00 0.00 58.65 58.40 2k9a h GLN 38 Cb 1.59 -0.04 -0.00 0.00 0.30 0.00 0.00 27.48 29.33 2k9a h GLN 38 CO 0.16 0.70 -0.11 1.25 -0.67 0.00 0.00 178.83 180.17 2k9a h LEU 39 N 0.30 0.33 -0.13 1.46 5.85 -1.45 -2.75 115.31 118.92 2k9a h LEU 39 Ca 0.08 -0.46 -0.00 0.00 0.84 0.00 0.00 57.88 58.34 2k9a h LEU 39 Cb 0.49 -0.09 -0.01 0.00 0.37 0.00 0.00 40.66 41.42 2k9a h LEU 39 CO 0.02 0.72 0.08 0.25 -0.34 0.00 0.00 178.44 179.16 2k9a h LEU 40 N -0.06 0.16 0.13 2.25 6.46 -1.45 0.29 115.31 123.09 2k9a h LEU 40 Ca 0.02 -0.06 0.01 0.00 -0.12 0.00 0.00 57.88 57.74 2k9a h LEU 40 Cb 0.61 -0.04 -0.03 0.00 -0.73 0.00 0.00 40.66 40.48 2k9a h LEU 40 CO 0.03 0.17 -0.22 -0.61 -0.62 0.00 0.00 178.44 177.20 2k9a h GLN 41 N 0.13 -0.40 -0.15 1.25 5.75 -1.21 -2.03 115.11 118.44 2k9a h GLN 41 Ca 0.05 0.03 -0.07 0.00 -0.15 0.00 0.00 58.65 58.51 2k9a h GLN 41 Cb 0.05 0.09 -0.01 0.00 1.07 0.00 0.00 27.48 28.68 2k9a h GLN 41 CO -0.01 -0.27 -0.21 0.00 -2.65 0.00 0.00 178.83 175.70 2k9a h ARG 42 N -0.42 0.26 -0.21 1.69 3.08 -1.46 -0.44 114.38 116.90 2k9a h ARG 42 Ca 0.02 -0.08 0.01 0.00 0.07 0.00 0.00 59.98 60.00 2k9a h ARG 42 Cb 0.43 -0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.44 2k9a h ARG 42 CO -0.11 0.47 0.12 -0.97 -1.07 0.00 0.00 179.97 178.41 2k9a h ASN 43 N 0.24 0.19 0.08 7.04 -0.73 -0.41 -1.70 115.58 120.29 2k9a h ASN 43 Ca 0.04 0.00 -0.28 0.00 1.87 0.00 0.00 56.30 57.93 2k9a h ASN 43 Cb 0.51 -0.04 0.03 0.00 0.27 0.00 0.00 38.32 39.09 2k9a h ASN 43 CO 0.03 0.14 -1.16 -0.26 -0.37 0.00 0.00 177.43 175.82 2k9a h PHE 44 N 0.25 1.02 -0.18 0.67 0.04 -1.24 -3.19 116.94 114.30 2k9a h PHE 44 Ca 0.08 -0.61 0.05 0.00 2.80 0.00 0.00 57.97 60.29 2k9a h PHE 44 Cb -0.00 -0.09 -0.01 0.00 2.20 0.00 0.00 35.95 38.04 2k9a h PHE 44 CO -0.08 1.45 0.21 0.52 -0.60 0.00 0.00 178.31 179.81 2k9a h MET 45 N 0.30 0.00 -0.06 1.51 2.86 -0.97 0.13 114.93 118.70 2k9a h MET 45 Ca -0.17 0.00 -0.07 0.00 -2.06 0.00 0.00 59.70 57.40 2k9a h MET 45 Cb 1.83 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 33.48 2k9a h MET 45 CO 0.22 0.00 -0.29 0.22 1.06 0.00 0.00 176.91 178.12 2k9a h ASP 46 N 0.00 0.10 0.13 1.22 3.58 -1.29 -2.05 116.42 118.11 2k9a h ASP 46 Ca 0.09 -0.03 -0.32 0.00 0.42 0.00 0.00 57.03 57.18 2k9a h ASP 46 Cb 0.50 -0.03 -0.01 0.00 1.72 0.00 0.00 39.33 41.52 2k9a h ASP 46 CO -0.00 0.40 -1.67 0.50 -2.88 0.00 0.00 179.24 175.58 2k9a h LYS 47 N 0.09 0.28 -0.10 0.28 1.63 -0.91 -3.31 116.57 114.52 2k9a h LYS 47 Ca 0.01 -0.47 0.01 0.00 -0.85 0.00 0.00 60.65 59.35 2k9a h LYS 47 Cb 0.57 0.18 -0.01 0.00 -0.60 0.00 0.00 32.23 32.36 2k9a h LYS 47 CO 0.04 1.23 0.04 1.88 -3.45 0.00 0.00 179.45 179.18 2k9a h TYR 48 N -0.13 0.06 0.00 1.91 -1.99 -1.28 -1.88 116.97 113.66 2k9a h TYR 48 Ca -0.36 0.01 0.00 0.00 2.00 0.00 0.00 58.73 60.38 2k9a h TYR 48 Cb 1.90 -0.01 0.00 0.00 2.00 0.00 0.00 36.73 40.62 2k9a h TYR 48 CO 0.10 0.03 0.00 0.10 -0.00 0.00 0.00 178.16 178.40 2k9a h TYR 49 N 0.09 0.00 0.02 4.88 -0.00 -1.56 -1.36 116.97 119.04 2k9a h TYR 49 Ca 0.04 0.00 -0.00 0.00 -0.00 0.00 0.00 58.73 58.77 2k9a h TYR 49 Cb 0.02 0.00 0.00 0.00 -0.00 0.00 0.00 36.73 36.75 2k9a h TYR 49 CO -0.10 0.00 -0.01 -0.07 -0.00 0.00 0.00 178.16 177.98 2k9a h LEU 50 N 0.00 -0.02 -0.60 0.10 3.38 -1.44 -3.34 115.31 113.38 2k9a h LEU 50 Ca 0.00 -0.72 -0.13 0.00 0.09 0.00 0.00 57.88 57.12 2k9a h LEU 50 Cb 0.29 0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.03 2k9a h LEU 50 CO 0.00 0.80 -0.29 1.05 0.09 0.00 0.00 178.44 180.09 2k9a h GLU 51 N -0.93 0.80 -5.70 1.13 4.11 -1.35 -3.39 114.58 109.25 2k9a h GLU 51 Ca -0.00 -0.36 -0.29 0.00 0.07 0.00 0.00 59.36 58.78 2k9a h GLU 51 Cb 0.74 -0.02 -0.04 0.00 0.50 0.00 0.00 28.75 29.94 2k9a h GLU 51 CO 0.00 0.99 0.74 -0.06 0.07 0.00 0.00 179.01 180.76 2k9a s PHE 52 N -4.51 1.69 -0.11 2.06 0.08 -0.52 -4.94 117.98 111.74 2k9a s PHE 52 Ca -0.10 0.83 -0.04 0.00 0.12 0.00 0.00 56.93 57.75 2k9a s PHE 52 Cb 0.12 -3.97 -0.04 0.00 -0.57 0.00 0.00 43.02 38.57 2k9a s PHE 52 CO 0.85 -1.81 0.05 -1.83 -0.10 0.00 0.00 175.22 172.38 2k9a s GLU 53 N 7.27 3.22 -0.49 0.44 -1.05 -1.26 -4.86 118.70 121.96 2k9a s GLU 53 Ca 0.73 -0.32 -0.28 0.00 -0.15 0.00 0.00 54.97 54.95 2k9a s GLU 53 Cb -0.08 -2.95 -0.01 0.00 -0.44 0.00 0.00 34.13 30.65 2k9a s GLU 53 CO 0.03 0.68 1.69 0.16 0.95 0.00 0.00 175.26 178.78 2k9a s ASP 54 N -0.81 5.78 0.35 0.83 -4.77 -1.26 -4.96 116.67 111.83 2k9a s ASP 54 Ca 0.13 0.68 0.03 0.00 -3.30 0.00 0.00 52.55 50.09 2k9a s ASP 54 Cb -0.12 -2.53 -0.05 0.00 -1.09 0.00 0.00 42.92 39.13 2k9a s ASP 54 CO 0.03 -1.91 0.08 0.42 0.70 0.00 0.00 175.17 174.49 2k9a s THR 55 N 7.28 0.96 -2.54 2.11 -4.23 -1.26 -5.04 115.64 112.92 2k9a s THR 55 Ca 0.67 -2.00 0.23 0.00 -1.18 0.00 0.00 61.69 59.41 2k9a s THR 55 Cb -0.15 -2.63 0.39 0.00 1.34 0.00 0.00 72.50 71.45 2k9a s THR 55 CO 0.27 0.00 1.42 -1.84 -0.54 0.00 0.00 174.62 173.93 2k9a n GLU 56 N -0.75 2.31 -4.32 3.99 0.28 -1.26 -4.93 120.64 115.96 2k9a n GLU 56 Ca -0.04 -1.96 -0.26 0.00 -0.16 0.00 0.00 57.16 54.74 2k9a n GLU 56 Cb 0.66 -1.48 -0.09 0.00 1.43 0.00 0.00 31.44 31.96 2k9a n GLU 56 CO 0.00 0.00 0.00 -1.21 -0.16 0.00 0.00 177.13 175.76 2k9a s GLU 57 N -1.66 2.01 -0.45 3.44 0.41 -1.26 -5.10 118.70 116.09 2k9a s GLU 57 Ca 0.36 -1.38 -0.14 0.00 -0.41 0.00 0.00 54.97 53.40 2k9a s GLU 57 Cb 0.21 -2.08 0.06 0.00 -1.78 0.00 0.00 34.13 30.54 2k9a s GLU 57 CO 0.31 0.41 0.35 1.21 -0.49 0.00 0.00 175.26 177.04 2k9a s ASN 58 N -3.06 6.02 0.28 -0.19 3.84 -1.26 -5.07 114.94 115.49 2k9a s ASN 58 Ca 0.26 -1.29 -0.17 0.00 0.21 0.00 0.00 52.86 51.87 2k9a s ASN 58 Cb -0.08 -2.13 -0.09 0.00 -0.55 0.00 0.00 41.25 38.40 2k9a s ASN 58 CO 0.16 -0.58 0.73 -0.54 -2.79 0.00 0.00 177.10 174.07 2k9a s LYS 59 N 1.60 4.12 0.00 0.43 1.02 -1.26 -4.96 119.74 120.69 2k9a s LYS 59 Ca 0.04 0.77 0.29 0.00 0.02 0.00 0.00 55.97 57.09 2k9a s LYS 59 Cb -0.23 -2.64 1.31 0.00 -0.52 0.00 0.00 37.83 35.75 2k9a s LYS 59 CO 0.06 0.27 1.96 1.28 -0.92 0.00 0.00 175.35 178.00 2k9a n LEU 60 N 0.15 0.01 0.18 3.17 7.99 -1.26 -3.39 117.00 123.84 2k9a n LEU 60 Ca 0.01 0.42 0.13 0.00 -0.01 0.00 0.00 56.01 56.57 2k9a n LEU 60 Cb 0.52 -0.43 0.61 0.00 -0.11 0.00 0.00 43.42 44.01 2k9a n LEU 60 CO 0.42 0.00 0.90 -0.29 -1.51 0.00 0.00 177.39 176.91 2k9a h ILE 61 N 0.01 0.00 0.00 -0.08 6.09 -2.03 -2.32 117.51 119.18 2k9a h ILE 61 Ca 0.00 -0.19 0.00 0.00 -1.37 0.00 0.00 64.86 63.30 2k9a h ILE 61 Cb 0.44 0.92 0.00 0.00 0.47 0.00 0.00 36.82 38.64 2k9a h ILE 61 CO 0.00 0.00 0.00 1.88 -3.07 0.00 0.00 178.15 176.96 2k9a h TYR 62 N 0.00 0.00 0.09 2.19 0.05 -1.98 -2.83 116.97 114.48 2k9a h TYR 62 Ca 0.00 0.00 -0.00 0.00 0.05 0.00 0.00 58.73 58.78 2k9a h TYR 62 Cb 0.26 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.00 2k9a h TYR 62 CO 0.00 0.00 -0.04 1.15 -1.05 0.00 0.00 178.16 178.22 2k9a h THR 63 N 0.00 1.10 -0.50 -2.88 2.02 -1.69 -2.60 112.91 108.36 2k9a h THR 63 Ca 0.00 -1.38 -0.04 0.00 0.77 0.00 0.00 66.41 65.76 2k9a h THR 63 Cb 0.48 1.90 -0.02 0.00 -1.74 0.00 0.00 68.15 68.77 2k9a h THR 63 CO 0.00 0.30 0.15 1.55 0.37 0.00 0.00 175.52 177.90 2k9a h PRO 64 N -0.83 0.78 -0.33 6.66 0.13 -1.73 -2.60 132.00 134.08 2k9a h PRO 64 Ca -0.01 -0.17 0.03 0.00 -0.87 0.00 0.00 66.00 64.98 2k9a h PRO 64 Cb 0.59 -0.11 -0.03 0.00 0.13 0.00 0.00 31.00 31.57 2k9a h PRO 64 CO 0.02 0.73 0.13 0.82 -0.23 0.00 0.00 178.00 179.47 2k9a h ILE 65 N 0.68 0.93 -0.64 -3.56 2.04 -1.62 -2.12 117.51 113.22 2k9a h ILE 65 Ca 0.16 -0.10 0.06 0.00 1.00 0.00 0.00 64.86 65.99 2k9a h ILE 65 Cb 0.28 0.62 -0.06 0.00 -0.74 0.00 0.00 36.82 36.92 2k9a h ILE 65 CO -0.00 0.05 0.34 0.15 0.00 0.00 0.00 178.15 178.68 2k9a h PHE 66 N 0.28 0.61 -0.50 1.37 3.57 -1.35 -0.97 116.94 119.96 2k9a h PHE 66 Ca 0.15 0.03 0.04 0.00 3.53 0.00 0.00 57.97 61.71 2k9a h PHE 66 Cb 0.10 -0.18 -0.03 0.00 2.79 0.00 0.00 35.95 38.63 2k9a h PHE 66 CO -0.13 0.28 0.33 -0.91 -2.23 0.00 0.00 178.31 175.65 2k9a h ASN 67 N 0.62 0.44 -0.38 0.41 -0.26 -1.02 -1.40 115.58 113.99 2k9a h ASN 67 Ca 0.29 -0.00 -0.12 0.00 -0.56 0.00 0.00 56.30 55.91 2k9a h ASN 67 Cb 0.22 -0.10 -0.02 0.00 -1.06 0.00 0.00 38.32 37.36 2k9a h ASN 67 CO -0.20 0.30 -0.19 -0.08 -1.06 0.00 0.00 177.43 176.21 2k9a h GLU 68 N 0.51 0.87 -0.37 0.81 4.81 -0.56 -1.40 114.58 119.25 2k9a h GLU 68 Ca 0.21 -0.34 -0.10 0.00 -0.13 0.00 0.00 59.36 58.99 2k9a h GLU 68 Cb 0.18 -0.04 -0.02 0.00 0.63 0.00 0.00 28.75 29.50 2k9a h GLU 68 CO -0.05 0.98 -0.20 -0.92 -0.73 0.00 0.00 179.01 178.09 2k9a h TYR 69 N 0.76 0.80 0.00 0.92 3.20 -0.84 0.13 116.97 121.94 2k9a h TYR 69 Ca 0.11 -0.17 -0.14 0.00 3.14 0.00 0.00 58.73 61.67 2k9a h TYR 69 Cb 0.72 -0.20 -0.02 0.00 1.54 0.00 0.00 36.73 38.77 2k9a h TYR 69 CO 0.04 0.85 -0.65 0.82 -1.64 0.00 0.00 178.16 177.58 2k9a h ILE 70 N 0.63 1.40 0.00 1.81 1.08 -1.20 0.25 117.51 121.48 2k9a h ILE 70 Ca 0.09 -2.29 -0.22 0.00 -0.39 0.00 0.00 64.86 62.06 2k9a h ILE 70 Cb 0.68 2.25 -0.04 0.00 -3.07 0.00 0.00 36.82 36.65 2k9a h ILE 70 CO 0.05 0.64 -1.29 0.28 -0.69 0.00 0.00 178.15 177.14 2k9a h SER 71 N 0.00 0.00 0.00 1.72 0.02 -1.02 -2.88 113.55 111.39 2k9a h SER 71 Ca -0.01 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.94 2k9a h SER 71 Cb 1.20 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.74 2k9a h SER 71 CO 0.08 0.84 -0.35 0.25 -1.14 0.00 0.00 176.83 176.52 2k9a h LEU 72 N 0.00 0.00 0.29 5.07 7.12 -0.73 -3.37 115.31 123.69 2k9a h LEU 72 Ca -0.14 0.00 -0.01 0.00 0.13 0.00 0.00 57.88 57.85 2k9a h LEU 72 Cb 1.77 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 41.90 2k9a h LEU 72 CO 0.08 0.52 -0.14 0.58 -0.13 0.00 0.00 178.44 179.36 2k9a h VAL 73 N -0.70 0.00 -0.95 1.05 2.07 -1.15 -1.94 116.25 114.64 2k9a h VAL 73 Ca 0.00 -0.57 0.16 0.00 0.82 0.00 0.00 66.70 67.11 2k9a h VAL 73 Cb 0.35 0.00 -0.10 0.00 -1.52 0.00 0.00 31.29 30.02 2k9a h VAL 73 CO 0.00 0.00 0.56 -0.08 0.02 0.00 0.00 177.57 178.07 2k9a h GLU 74 N -0.95 0.74 -0.02 1.57 4.81 -1.54 0.19 114.58 119.37 2k9a h GLU 74 Ca -0.04 -0.04 -0.13 0.00 -0.13 0.00 0.00 59.36 59.01 2k9a h GLU 74 Cb 0.30 -0.17 -0.02 0.00 0.63 0.00 0.00 28.75 29.49 2k9a h GLU 74 CO 0.06 0.49 -0.61 0.87 -0.73 0.00 0.00 179.01 179.10 2k9a h LYS 75 N 0.77 0.07 -0.60 1.92 1.79 -1.62 -2.82 116.57 116.07 2k9a h LYS 75 Ca 0.52 -0.05 -0.01 0.00 -2.18 0.00 0.00 60.65 58.93 2k9a h LYS 75 Cb 0.73 0.01 -0.03 0.00 -1.58 0.00 0.00 32.23 31.36 2k9a h LYS 75 CO -0.35 0.66 0.33 -0.92 -1.08 0.00 0.00 179.45 178.08 2k9a h TYR 76 N 0.05 0.83 -0.09 -1.35 3.20 0.18 -0.88 116.97 118.90 2k9a h TYR 76 Ca -0.01 -0.02 -0.02 0.00 3.14 0.00 0.00 58.73 61.82 2k9a h TYR 76 Cb 1.09 -0.26 -0.00 0.00 1.54 0.00 0.00 36.73 39.09 2k9a h TYR 76 CO 0.01 0.60 -0.01 0.82 -1.64 0.00 0.00 178.16 177.94 2k9a h ILE 77 N 0.82 1.27 -0.16 1.81 2.04 -1.32 -2.41 117.51 119.55 2k9a h ILE 77 Ca 0.21 -0.87 0.04 0.00 1.00 0.00 0.00 64.86 65.23 2k9a h ILE 77 Cb 0.05 1.67 -0.03 0.00 -0.74 0.00 0.00 36.82 37.76 2k9a h ILE 77 CO -0.03 0.25 -0.06 -0.08 0.00 0.00 0.00 178.15 178.23 2k9a h GLU 78 N -0.13 -0.02 0.07 2.37 4.57 -1.37 -1.88 114.58 118.18 2k9a h GLU 78 Ca 0.03 0.00 0.01 0.00 -1.18 0.00 0.00 59.36 58.22 2k9a h GLU 78 Cb 0.39 0.01 -0.02 0.00 -0.16 0.00 0.00 28.75 28.97 2k9a h GLU 78 CO 0.01 -0.02 -0.12 0.93 -1.18 0.00 0.00 179.01 178.63 2k9a h GLU 79 N -0.02 -0.23 -0.21 1.92 4.39 -1.18 -0.87 114.58 118.37 2k9a h GLU 79 Ca 0.08 0.02 0.06 0.00 0.34 0.00 0.00 59.36 59.86 2k9a h GLU 79 Cb 0.15 0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 28.84 2k9a h GLU 79 CO -0.18 -0.15 0.15 1.96 -1.16 0.00 0.00 179.01 179.63 2k9a h GLN 80 N -0.23 0.02 0.08 2.33 1.08 -1.26 -1.23 115.11 115.89 2k9a h GLN 80 Ca 0.02 -0.00 -0.26 0.00 -1.45 0.00 0.00 58.65 56.96 2k9a h GLN 80 Cb 0.25 -0.00 0.01 0.00 -0.05 0.00 0.00 27.48 27.69 2k9a h GLN 80 CO -0.07 0.01 -1.13 -0.07 -0.95 0.00 0.00 178.83 176.63 2k9a h LEU 81 N 0.02 0.56 -1.56 1.46 3.38 -0.74 -3.21 115.31 115.23 2k9a h LEU 81 Ca 0.10 -0.52 -0.03 0.00 0.09 0.00 0.00 57.88 57.52 2k9a h LEU 81 Cb 0.38 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 40.95 2k9a h LEU 81 CO -0.00 1.36 -0.14 -0.07 0.09 0.00 0.00 178.44 179.67 2k9a h LEU 82 N 0.18 0.00 -2.38 1.67 3.38 -0.02 -0.05 115.31 118.09 2k9a h LEU 82 Ca -0.13 0.00 0.02 0.00 0.09 0.00 0.00 57.88 57.87 2k9a h LEU 82 Cb 1.80 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.55 2k9a h LEU 82 CO 0.20 0.14 0.18 1.56 0.09 0.00 0.00 178.44 180.61 2k9a h GLN 83 N 0.00 0.00 0.00 1.13 1.08 -1.37 -2.88 115.11 113.07 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 0.52 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.95 2k9a h GLN 83 CO 0.02 0.00 -0.80 0.54 -0.95 0.00 0.00 178.83 177.64 2k9a n ARG 84 N -3.33 2.16 -3.61 1.46 1.74 -1.02 -4.93 116.66 109.13 2k9a n ARG 84 Ca -0.01 0.00 -0.28 0.00 -0.77 0.00 0.00 57.85 56.79 2k9a n ARG 84 Cb 0.27 -0.90 -0.12 0.00 -1.02 0.00 0.00 32.46 30.69 2k9a n ARG 84 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 2k9a s ILE 85 N -1.70 1.23 -1.26 0.55 1.01 -0.06 -4.95 121.20 116.02 2k9a s ILE 85 Ca 0.00 -2.90 0.14 0.00 0.00 0.00 0.00 60.65 57.88 2k9a s ILE 85 Cb 0.00 -1.84 0.19 0.00 0.01 0.00 0.00 42.46 40.82 2k9a s ILE 85 CO 0.00 -1.05 1.39 -0.81 0.00 0.00 0.00 174.94 174.46 2k9a n PRO 86 N 2.98 0.12 -0.31 2.79 -0.04 -1.15 -1.80 135.00 137.59 2k9a n PRO 86 Ca 0.19 0.20 0.08 0.00 -0.04 0.00 0.00 63.50 63.93 2k9a n PRO 86 Cb 0.40 -1.50 0.21 0.00 -0.04 0.00 0.00 33.50 32.56 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 -1.37 2.74 -2.06 0.54 1.02 -1.26 -5.03 120.64 115.22 2k9a n GLU 87 Ca 0.05 -2.54 -0.37 0.00 -0.02 0.00 0.00 57.16 54.28 2k9a n GLU 87 Cb 0.13 -1.61 0.02 0.00 -0.02 0.00 0.00 31.44 29.95 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 -2.26 2.56 -0.60 -0.32 5.36 -0.74 -5.00 117.98 116.98 2k9a s PHE 88 Ca 0.34 1.48 -0.01 0.00 -0.96 0.00 0.00 56.93 57.78 2k9a s PHE 88 Cb 0.26 -3.52 0.15 0.00 -0.34 0.00 0.00 43.02 39.57 2k9a s PHE 88 CO 0.09 -2.10 0.40 0.54 -1.46 0.00 0.00 175.22 172.69 2k9a s ASN 89 N -1.33 5.03 0.39 6.13 4.22 -1.26 -4.92 114.94 123.19 2k9a s ASN 89 Ca 0.70 -2.88 0.13 0.00 -2.14 0.00 0.00 52.86 48.67 2k9a s ASN 89 Cb -0.32 -1.80 0.80 0.00 1.28 0.00 0.00 41.25 41.21 2k9a s ASN 89 CO 0.37 -0.34 1.87 -0.03 -2.04 0.00 0.00 177.10 176.94 2k9a h MET 90 N 6.91 0.00 -0.13 3.55 4.05 -1.99 -1.24 114.93 126.08 2k9a h MET 90 Ca -0.03 0.00 -0.13 0.00 -0.28 0.00 0.00 59.70 59.26 2k9a h MET 90 Cb 0.94 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.74 2k9a h MET 90 CO 0.71 0.32 -0.43 0.00 0.23 0.00 0.00 176.91 177.74 2k9a h ALA 91 N 1.68 0.23 -0.06 0.39 0.00 -2.00 -2.45 119.26 117.05 2k9a h ALA 91 Ca -0.00 -0.47 -0.15 0.00 0.00 0.00 0.00 54.91 54.28 2k9a h ALA 91 Cb 0.57 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.32 2k9a h ALA 91 CO 0.04 0.35 -0.64 0.00 0.00 0.00 0.00 179.25 179.00 2k9a h ALA 92 N 0.51 0.81 -0.24 0.00 0.00 -1.95 -2.77 119.26 115.63 2k9a h ALA 92 Ca -0.02 -0.57 -0.09 0.00 0.00 0.00 0.00 54.91 54.23 2k9a h ALA 92 Cb 1.05 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.76 2k9a h ALA 92 CO 0.09 0.75 -0.22 0.35 0.00 0.00 0.00 179.25 180.23 2k9a h PHE 93 N 0.17 0.68 -0.24 0.00 3.57 -1.27 -2.71 116.94 117.14 2k9a h PHE 93 Ca -0.01 -0.20 -0.01 0.00 3.53 0.00 0.00 57.97 61.28 2k9a h PHE 93 Cb 1.16 -0.14 -0.01 0.00 2.79 0.00 0.00 35.95 39.75 2k9a h PHE 93 CO 0.02 0.89 0.11 1.79 -2.23 0.00 0.00 178.31 178.89 2k9a h THR 94 N 0.27 1.15 -0.14 4.41 1.35 -1.45 0.81 112.91 119.31 2k9a h THR 94 Ca 0.04 -0.43 0.03 0.00 -0.55 0.00 0.00 66.41 65.50 2k9a h THR 94 Cb 0.77 0.99 -0.03 0.00 -1.73 0.00 0.00 68.15 68.14 2k9a h THR 94 CO 0.06 0.15 -0.08 0.71 -0.25 0.00 0.00 175.52 176.11 2k9a h THR 95 N 0.25 0.76 0.00 6.82 1.35 -1.53 -1.63 112.91 118.93 2k9a h THR 95 Ca 0.08 0.00 -0.07 0.00 -0.55 0.00 0.00 66.41 65.87 2k9a h THR 95 Cb 0.13 0.76 -0.01 0.00 -1.73 0.00 0.00 68.15 67.30 2k9a h THR 95 CO -0.01 0.00 -0.34 0.74 -0.25 0.00 0.00 175.52 175.66 2k9a h THR 96 N -0.07 1.19 -0.63 6.82 2.02 -1.39 -2.80 112.91 118.05 2k9a h THR 96 Ca 0.08 -1.18 -0.03 0.00 0.77 0.00 0.00 66.41 66.05 2k9a h THR 96 Cb 0.19 1.65 -0.03 0.00 -1.74 0.00 0.00 68.15 68.22 2k9a h THR 96 CO -0.18 0.33 0.29 0.25 0.37 0.00 0.00 175.52 176.58 2k9a h LEU 97 N 0.00 0.81 -0.63 2.58 6.46 0.09 -1.46 115.31 123.17 2k9a h LEU 97 Ca -0.00 -0.09 0.12 0.00 -0.12 0.00 0.00 57.88 57.79 2k9a h LEU 97 Cb 0.62 -0.21 -0.09 0.00 -0.73 0.00 0.00 40.66 40.25 2k9a h LEU 97 CO 0.04 0.70 0.15 1.56 -0.62 0.00 0.00 178.44 180.27 2k9a h GLN 98 N 0.90 0.27 0.09 1.25 1.08 -1.12 0.20 115.11 117.78 2k9a h GLN 98 Ca 0.22 -0.02 -0.29 0.00 -1.45 0.00 0.00 58.65 57.11 2k9a h GLN 98 Cb 0.11 -0.06 0.03 0.00 -0.05 0.00 0.00 27.48 27.51 2k9a h GLN 98 CO -0.03 0.18 -1.19 0.45 -0.95 0.00 0.00 178.83 177.29 2k9a h HIS 99 N 0.27 1.01 0.00 2.96 3.86 -1.64 -3.11 115.15 118.51 2k9a h HIS 99 Ca 0.34 -0.61 0.00 0.00 -1.16 0.00 0.00 60.37 58.93 2k9a h HIS 99 Cb 0.51 -0.09 0.00 0.00 1.06 0.00 0.00 27.41 28.89 2k9a h HIS 99 CO -0.25 1.45 0.00 0.72 0.86 0.00 0.00 177.93 180.72 2k9a n HIS 100 N -3.80 0.00 0.33 2.45 8.25 -0.57 -2.63 115.22 119.24 2k9a n HIS 100 Ca -0.13 0.00 0.22 0.00 -0.26 0.00 0.00 57.72 57.55 2k9a n HIS 100 Cb 0.96 -0.18 1.15 0.00 1.12 0.00 0.00 29.99 33.03 2k9a n HIS 100 CO 0.00 0.00 0.00 -0.22 0.64 0.00 0.00 176.34 176.76 2k9a h LYS 101 N 0.00 0.00 0.00 -0.41 3.64 -0.56 0.25 116.57 119.50 2k9a h LYS 101 Ca 0.00 0.00 -0.07 0.00 -1.27 0.00 0.00 60.65 59.31 2k9a h LYS 101 Cb 0.07 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 31.88 2k9a h LYS 101 CO 0.00 0.00 -0.34 0.38 -2.27 0.00 0.00 179.45 177.23 2k9a h ASP 102 N 0.00 0.00 0.00 4.20 2.03 -1.76 -3.38 116.42 117.52 2k9a h ASP 102 Ca -0.00 0.00 -0.02 0.00 -0.73 0.00 0.00 57.03 56.28 2k9a h ASP 102 Cb 0.05 0.00 -0.00 0.00 -0.83 0.00 0.00 39.33 38.54 2k9a h ASP 102 CO 0.00 0.34 -0.97 1.21 -1.03 0.00 0.00 179.24 178.78 2k9a n GLU 103 N -3.32 0.52 -1.24 4.15 4.07 -0.08 -4.99 120.64 119.75 2k9a n GLU 103 Ca 0.01 0.26 -0.33 0.00 -0.06 0.00 0.00 57.16 57.04 2k9a n GLU 103 Cb 0.57 -1.48 0.11 0.00 -0.06 0.00 0.00 31.44 30.58 2k9a n GLU 103 CO 0.00 0.00 0.00 0.54 -0.06 0.00 0.00 177.13 177.61 2k9a s VAL 104 N -2.79 2.26 -0.35 6.31 0.11 -0.29 -4.83 120.40 120.83 2k9a s VAL 104 Ca -0.27 0.11 -0.29 0.00 -2.93 0.00 0.00 61.98 58.60 2k9a s VAL 104 Cb 0.04 -2.56 -0.08 0.00 -1.53 0.00 0.00 36.38 32.26 2k9a s VAL 104 CO 0.40 -0.08 2.29 0.00 -3.33 0.00 0.00 175.10 174.38 2k9a n ALA 105 N -3.13 1.32 0.14 1.54 0.00 -1.26 -4.77 120.51 114.35 2k9a n ALA 105 Ca 0.13 -0.39 0.04 0.00 0.00 0.00 0.00 53.44 53.22 2k9a n ALA 105 Cb 0.51 -2.89 0.44 0.00 0.00 0.00 0.00 19.45 17.51 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 15.55 0.23 1.31 0.00 0.00 -1.88 -2.32 103.07 115.95 2k9a h GLY 106 Ca -0.32 -0.12 0.01 0.00 0.00 0.00 0.00 47.33 46.90 2k9a h GLY 106 CO 1.04 0.11 0.46 -0.55 0.00 0.00 0.00 176.54 177.61 2k9a h ASP 107 N 0.21 0.80 -0.02 0.19 5.19 -1.95 0.67 116.42 121.50 2k9a h ASP 107 Ca 0.05 -0.02 -0.03 0.00 -0.62 0.00 0.00 57.03 56.41 2k9a h ASP 107 Cb 0.26 -0.20 0.00 0.00 0.18 0.00 0.00 39.33 39.57 2k9a h ASP 107 CO 0.01 0.57 -0.09 0.40 -3.12 0.00 0.00 179.24 177.01 2k9a h ILE 108 N 0.94 1.51 0.00 0.35 2.04 -1.82 -3.22 117.51 117.31 2k9a h ILE 108 Ca 0.26 -1.63 -0.03 0.00 1.00 0.00 0.00 64.86 64.46 2k9a h ILE 108 Cb -0.10 2.54 -0.00 0.00 -0.74 0.00 0.00 36.82 38.52 2k9a h ILE 108 CO -0.06 0.44 -0.12 0.15 0.00 0.00 0.00 178.15 178.56 2k9a h PHE 109 N -0.53 0.00 -1.03 1.37 3.57 -1.27 -2.47 116.94 116.58 2k9a h PHE 109 Ca -0.01 0.00 0.27 0.00 3.53 0.00 0.00 57.97 61.77 2k9a h PHE 109 Cb 0.76 0.00 -0.07 0.00 2.79 0.00 0.00 35.95 39.43 2k9a h PHE 109 CO 0.15 0.12 0.70 -0.44 -2.23 0.00 0.00 178.31 176.61 2k9a h ASP 110 N 0.00 0.25 -0.17 0.41 3.32 -0.87 0.30 116.42 119.66 2k9a h ASP 110 Ca -0.00 0.04 -0.11 0.00 0.02 0.00 0.00 57.03 56.98 2k9a h ASP 110 Cb 0.23 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.78 2k9a h ASP 110 CO 0.02 0.06 -0.33 -0.03 -1.72 0.00 0.00 179.24 177.23 2k9a h MET 111 N 0.23 0.52 0.00 3.56 4.05 -1.58 -3.05 114.93 118.66 2k9a h MET 111 Ca 0.54 -0.34 -0.02 0.00 -0.28 0.00 0.00 59.70 59.60 2k9a h MET 111 Cb 1.67 0.04 -0.00 0.00 -0.80 0.00 0.00 31.60 32.51 2k9a h MET 111 CO -0.16 0.94 -0.11 -0.07 0.23 0.00 0.00 176.91 177.75 2k9a h LEU 112 N 0.16 0.00 -1.84 3.39 3.38 -0.64 -2.79 115.31 116.98 2k9a h LEU 112 Ca 0.01 0.00 0.20 0.00 0.09 0.00 0.00 57.88 58.17 2k9a h LEU 112 Cb 0.93 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.65 2k9a h LEU 112 CO 0.07 0.11 0.65 -0.07 0.09 0.00 0.00 178.44 179.29 2k9a h LEU 113 N 0.00 0.00 0.00 1.67 3.38 -0.78 0.54 115.31 120.12 2k9a h LEU 113 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2k9a h LEU 113 Cb 0.39 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.14 2k9a h LEU 113 CO 0.01 0.00 0.01 0.35 0.09 0.00 0.00 178.44 178.90 2k9a n THR 114 N -3.77 0.18 0.27 0.22 -2.24 -1.05 -1.18 114.28 106.71 2k9a n THR 114 Ca 0.14 0.05 0.13 0.00 -2.27 0.00 0.00 64.05 62.10 2k9a n THR 114 Cb 0.89 -1.05 0.74 0.00 -2.10 0.00 0.00 70.33 68.81 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 0.00 0.00 4.78 0.04 -1.16 -3.39 116.94 117.21 2k9a h PHE 115 Ca 0.00 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.77 2k9a h PHE 115 Cb 0.02 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.17 2k9a h PHE 115 CO 0.00 0.11 0.00 -2.37 -0.60 0.00 0.00 178.31 175.45 2k9a n THR 116 N -3.67 0.00 -2.21 -1.55 5.66 -0.87 -5.04 114.28 106.60 2k9a n THR 116 Ca -0.02 0.00 -0.32 0.00 -3.05 0.00 0.00 64.05 60.66 2k9a n THR 116 Cb 0.22 0.00 -0.04 0.00 -1.55 0.00 0.00 70.33 68.96 2k9a n THR 116 CO 0.00 0.00 0.00 -1.81 -3.05 0.00 0.00 175.07 170.21 2k9a s ASP 117 N 0.00 5.52 0.43 1.09 1.11 -0.32 -4.76 116.67 119.74 2k9a s ASP 117 Ca 0.00 -1.68 0.14 0.00 0.18 0.00 0.00 52.55 51.20 2k9a s ASP 117 Cb 0.00 -2.58 1.02 0.00 1.07 0.00 0.00 42.92 42.43 2k9a s ASP 117 CO 0.00 -2.53 1.94 0.15 1.18 0.00 0.00 175.17 175.92 2k9a h PHE 118 N 9.49 0.48 -0.63 4.23 3.57 -1.90 -0.62 116.94 131.57 2k9a h PHE 118 Ca 0.25 0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.75 2k9a h PHE 118 Cb 0.94 -0.15 -0.03 0.00 2.79 0.00 0.00 35.95 39.49 2k9a h PHE 118 CO 1.26 0.21 0.36 1.25 -2.23 0.00 0.00 178.31 179.16 2k9a h LEU 119 N 0.43 0.77 -0.43 0.59 5.85 -1.98 -1.53 115.31 119.01 2k9a h LEU 119 Ca 0.33 -0.08 -0.11 0.00 0.84 0.00 0.00 57.88 58.86 2k9a h LEU 119 Cb 0.70 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 41.51 2k9a h LEU 119 CO -0.10 0.63 -0.54 0.00 -0.34 0.00 0.00 178.44 178.08 2k9a h ALA 120 N 1.17 0.77 0.28 1.25 0.00 -1.60 -2.51 119.26 118.62 2k9a h ALA 120 Ca 0.22 -0.49 -0.01 0.00 0.00 0.00 0.00 54.91 54.62 2k9a h ALA 120 Cb 0.02 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.73 2k9a h ALA 120 CO -0.04 0.68 -0.13 0.35 0.00 0.00 0.00 179.25 180.11 2k9a h PHE 121 N 0.00 -0.35 -0.39 0.00 3.57 -0.68 -0.74 116.94 118.34 2k9a h PHE 121 Ca -0.01 -0.01 -0.11 0.00 3.53 0.00 0.00 57.97 61.38 2k9a h PHE 121 Cb 1.23 0.11 -0.02 0.00 2.79 0.00 0.00 35.95 40.07 2k9a h PHE 121 CO 0.00 0.00 -0.19 -0.22 -2.23 0.00 0.00 178.31 175.67 2k9a h LYS 122 N -0.77 0.75 0.00 1.11 3.64 -1.39 -2.67 116.57 117.25 2k9a h LYS 122 Ca -0.04 -0.28 -0.08 0.00 -1.27 0.00 0.00 60.65 58.98 2k9a h LYS 122 Cb 0.50 -0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 32.27 2k9a h LYS 122 CO 0.06 0.88 -0.39 1.49 -2.27 0.00 0.00 179.45 179.23 2k9a h GLU 123 N 0.66 0.00 -0.07 1.90 4.81 -1.49 -1.49 114.58 118.91 2k9a h GLU 123 Ca 0.10 0.00 -0.05 0.00 -0.13 0.00 0.00 59.36 59.28 2k9a h GLU 123 Cb 0.68 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.06 2k9a h GLU 123 CO 0.05 0.39 -0.13 1.98 -0.73 0.00 0.00 179.01 180.57 2k9a h MET 124 N 0.00 0.22 -0.24 1.92 4.05 -0.80 -1.91 114.93 118.17 2k9a h MET 124 Ca -0.00 -0.14 -0.19 0.00 -0.28 0.00 0.00 59.70 59.08 2k9a h MET 124 Cb 0.78 0.02 0.00 0.00 -0.80 0.00 0.00 31.60 31.60 2k9a h MET 124 CO 0.05 0.72 -0.61 0.74 0.23 0.00 0.00 176.91 178.03 2k9a h PHE 125 N -0.26 1.04 -0.58 1.39 0.04 -1.47 -1.92 116.94 115.18 2k9a h PHE 125 Ca 0.00 -0.40 -0.05 0.00 2.80 0.00 0.00 57.97 60.33 2k9a h PHE 125 Cb 0.71 -0.19 -0.02 0.00 2.20 0.00 0.00 35.95 38.65 2k9a h PHE 125 CO 0.11 1.22 0.18 -0.07 -0.60 0.00 0.00 178.31 179.15 2k9a h LEU 126 N 0.60 0.85 -0.47 1.54 4.07 -1.35 -1.96 115.31 118.60 2k9a h LEU 126 Ca -0.01 -0.21 -0.10 0.00 0.08 0.00 0.00 57.88 57.65 2k9a h LEU 126 Cb 1.22 -0.22 -0.02 0.00 1.08 0.00 0.00 40.66 42.72 2k9a h LEU 126 CO 0.13 0.84 -0.08 -0.78 -1.08 0.00 0.00 178.44 177.47 2k9a h ASP 127 N 0.82 0.88 -0.69 -0.43 3.58 -1.35 -2.32 116.42 116.92 2k9a h ASP 127 Ca 0.19 -0.35 0.03 0.00 0.42 0.00 0.00 57.03 57.32 2k9a h ASP 127 Cb 0.29 -0.24 -0.05 0.00 1.72 0.00 0.00 39.33 41.06 2k9a h ASP 127 CO -0.01 1.02 0.42 0.22 -2.88 0.00 0.00 179.24 178.02 2k9a h TYR 128 N 0.73 0.79 -0.27 0.28 3.20 -1.15 -1.48 116.97 119.07 2k9a h TYR 128 Ca 0.12 0.02 -0.07 0.00 3.14 0.00 0.00 58.73 61.94 2k9a h TYR 128 Cb 0.62 -0.26 -0.02 0.00 1.54 0.00 0.00 36.73 38.62 2k9a h TYR 128 CO 0.05 0.44 -0.14 -0.09 -1.64 0.00 0.00 178.16 176.78 2k9a h ARG 129 N 0.82 0.45 -0.62 1.82 2.43 -1.24 -2.68 114.38 115.37 2k9a h ARG 129 Ca 0.28 -0.13 -0.03 0.00 -0.81 0.00 0.00 59.98 59.30 2k9a h ARG 129 Cb 0.05 -0.05 -0.03 0.00 -0.42 0.00 0.00 29.97 29.52 2k9a h ARG 129 CO -0.12 0.59 0.28 0.00 -1.51 0.00 0.00 179.97 179.21 2k9a h ALA 130 N 1.44 1.33 0.00 2.80 0.00 -0.71 -1.93 119.26 122.18 2k9a h ALA 130 Ca 0.08 -0.14 -0.02 0.00 0.00 0.00 0.00 54.91 54.82 2k9a h ALA 130 Cb 0.50 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 18.03 2k9a h ALA 130 CO 0.03 0.52 -0.11 0.93 0.00 0.00 0.00 179.25 180.61 2k9a h GLU 131 N 0.88 0.00 -0.68 0.00 5.08 -1.07 -0.89 114.58 117.89 2k9a h GLU 131 Ca 0.21 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.55 2k9a h GLU 131 Cb 0.12 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.34 2k9a h GLU 131 CO -0.03 0.11 0.32 0.87 -1.00 0.00 0.00 179.01 179.29 2k9a h LYS 132 N 0.00 0.97 -0.23 2.33 1.79 -1.36 -1.89 116.57 118.19 2k9a h LYS 132 Ca -0.00 -0.14 0.00 0.00 -2.18 0.00 0.00 60.65 58.33 2k9a h LYS 132 Cb 0.21 -0.18 0.00 0.00 -1.58 0.00 0.00 32.23 30.68 2k9a h LYS 132 CO 0.01 0.76 0.00 0.39 -1.08 0.00 0.00 179.45 179.53 2k9a n GLU 133 N -4.33 2.27 0.16 3.15 1.02 -0.81 -4.22 120.64 117.87 2k9a n GLU 133 Ca 0.06 -1.89 0.02 0.00 -0.02 0.00 0.00 57.16 55.34 2k9a n GLU 133 Cb 0.14 -1.48 0.22 0.00 -0.02 0.00 0.00 31.44 30.30 2k9a n GLU 133 CO 0.00 0.00 0.00 0.78 1.18 0.00 0.00 177.13 179.09 2k9a h GLY 134 N 4.69 0.00 -7.20 0.62 0.00 -0.32 -3.40 103.07 97.46 2k9a h GLY 134 Ca 0.00 0.00 -0.62 0.00 0.00 0.00 0.00 47.33 46.71 2k9a h GLY 134 CO 0.00 0.00 0.56 -1.60 0.00 0.00 0.00 176.54 175.50 2k9a s ARG 135 N -3.46 3.19 0.00 4.80 3.52 -1.25 -5.08 118.95 120.67 2k9a s ARG 135 Ca 0.00 -0.61 0.00 0.00 -0.13 0.00 0.00 55.73 54.99 2k9a s ARG 135 Cb 0.11 -4.16 0.00 0.00 -1.56 0.00 0.00 34.95 29.34 2k9a s ARG 135 CO 0.73 -1.70 0.00 0.41 -0.81 0.00 0.00 175.30 173.93