#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 1.51 -2.63 3.17 9.92 -1.26 -5.11 116.55 122.16 2k9a n ASP 2 Ca 0.00 0.12 -0.05 0.00 -0.53 0.00 0.00 54.79 54.33 2k9a n ASP 2 Cb 0.00 -0.38 -0.04 0.00 -0.64 0.00 0.00 41.12 40.06 2k9a n ASP 2 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2k9a n ALA 3 N -3.47 -3.69 -2.34 2.24 0.00 -1.26 -4.97 120.51 107.02 2k9a n ALA 3 Ca -0.28 2.07 -0.39 0.00 0.00 0.00 0.00 53.44 54.84 2k9a n ALA 3 Cb 0.72 -4.04 -0.06 0.00 0.00 0.00 0.00 19.45 16.07 2k9a n ALA 3 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2k9a s LEU 4 N -0.89 4.49 -0.03 0.00 1.43 -1.26 -4.97 118.68 117.46 2k9a s LEU 4 Ca -0.23 1.24 0.14 0.00 -1.03 0.00 0.00 54.13 54.24 2k9a s LEU 4 Cb 0.02 -2.91 -0.21 0.00 0.03 0.00 0.00 46.19 43.12 2k9a s LEU 4 CO 0.81 0.22 0.28 -1.84 0.23 0.00 0.00 176.35 176.05 2k9a n GLU 5 N 2.04 0.55 0.00 1.70 0.28 -1.26 -5.02 120.64 118.93 2k9a n GLU 5 Ca -0.09 -0.12 0.00 0.00 -0.16 0.00 0.00 57.16 56.79 2k9a n GLU 5 Cb 0.51 -1.33 0.00 0.00 1.43 0.00 0.00 31.44 32.05 2k9a n GLU 5 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 2k9a n GLY 6 N 1.76 0.42 0.08 -1.84 0.00 -1.26 -5.08 105.19 99.26 2k9a n GLY 6 Ca -0.04 -0.60 -0.10 0.00 0.00 0.00 0.00 46.02 45.28 2k9a n GLY 6 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2k9a n GLU 7 N 0.00 1.07 -0.26 1.61 1.02 -1.26 -4.52 120.64 118.29 2k9a n GLU 7 Ca 0.00 0.05 0.09 0.00 -0.02 0.00 0.00 57.16 57.28 2k9a n GLU 7 Cb 0.00 -1.35 0.24 0.00 -0.02 0.00 0.00 31.44 30.30 2k9a n GLU 7 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 2k9a n SER 8 N -2.78 3.45 -4.69 1.62 2.88 -1.26 -4.95 113.62 107.90 2k9a n SER 8 Ca -0.27 -1.97 -0.35 0.00 -1.33 0.00 0.00 58.87 54.94 2k9a n SER 8 Cb 0.89 -0.35 -0.09 0.00 -0.75 0.00 0.00 64.21 63.91 2k9a n SER 8 CO 0.00 0.00 0.00 -0.36 -1.23 0.00 0.00 175.04 173.45 2k9a s PHE 9 N -1.07 3.23 -0.26 0.66 0.40 -1.26 -4.80 117.98 114.88 2k9a s PHE 9 Ca 0.37 0.19 -0.00 0.00 -0.60 0.00 0.00 56.93 56.89 2k9a s PHE 9 Cb 0.20 -1.86 0.00 0.00 0.51 0.00 0.00 43.02 41.87 2k9a s PHE 9 CO 0.26 0.43 0.00 0.00 0.70 0.00 0.00 175.22 176.61 2k9a n ALA 10 N 2.41 -3.27 -3.73 5.36 0.00 -1.26 -5.00 120.51 115.02 2k9a n ALA 10 Ca -0.18 0.43 -0.12 0.00 0.00 0.00 0.00 53.44 53.57 2k9a n ALA 10 Cb 0.54 -0.94 -0.03 0.00 0.00 0.00 0.00 19.45 19.01 2k9a n ALA 10 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2k9a n LEU 11 N 0.81 0.00 -4.50 0.00 4.77 -1.26 -5.07 117.00 111.74 2k9a n LEU 11 Ca -0.00 -1.46 -0.35 0.00 -0.03 0.00 0.00 56.01 54.17 2k9a n LEU 11 Cb 0.08 0.65 -0.12 0.00 -2.33 0.00 0.00 43.42 41.70 2k9a n LEU 11 CO 0.38 -0.24 -0.31 -0.44 -1.33 0.00 0.00 177.39 175.45 2k9a s SER 12 N -2.12 5.02 0.00 -1.43 0.01 -1.26 -4.94 113.70 108.99 2k9a s SER 12 Ca 0.15 -0.13 0.00 0.00 1.31 0.00 0.00 55.95 57.28 2k9a s SER 12 Cb 0.01 -1.86 0.00 0.00 0.21 0.00 0.00 66.02 64.38 2k9a s SER 12 CO 0.10 0.10 0.12 0.49 0.41 0.00 0.00 173.24 174.46 2k9a n PHE 13 N 4.03 0.00 -3.36 2.43 3.72 -1.26 -5.02 117.46 118.00 2k9a n PHE 13 Ca -0.17 0.00 0.02 0.00 -0.05 0.00 0.00 57.45 57.25 2k9a n PHE 13 Cb 0.52 0.00 -0.02 0.00 -0.94 0.00 0.00 39.48 39.04 2k9a n PHE 13 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 2k9a s SER 14 N -0.37 -1.18 0.00 4.37 0.15 -1.26 -5.00 113.70 110.41 2k9a s SER 14 Ca 0.00 1.11 0.00 0.00 0.70 0.00 0.00 55.95 57.76 2k9a s SER 14 Cb 0.00 2.14 0.00 0.00 -1.71 0.00 0.00 66.02 66.45 2k9a s SER 14 CO 0.00 -0.22 0.00 -0.24 1.20 0.00 0.00 173.24 173.98 2k9a n SER 15 N 5.41 0.00 0.09 5.45 2.88 -1.26 -4.97 113.62 121.21 2k9a n SER 15 Ca -0.06 0.00 -0.23 0.00 -1.33 0.00 0.00 58.87 57.25 2k9a n SER 15 Cb 0.50 0.00 -0.15 0.00 -0.75 0.00 0.00 64.21 63.81 2k9a n SER 15 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2k9a h ALA 16 N 1.40 -0.06 -0.25 -1.46 0.00 -1.97 -1.34 119.26 115.58 2k9a h ALA 16 Ca 0.00 -0.88 -0.11 0.00 0.00 0.00 0.00 54.91 53.92 2k9a h ALA 16 Cb 0.00 0.23 -0.07 0.00 0.00 0.00 0.00 17.79 17.96 2k9a h ALA 16 CO 0.00 0.65 0.14 -1.13 0.00 0.00 0.00 179.25 178.91 2k9a n SER 17 N -3.86 3.01 -4.20 0.00 3.41 -1.26 -4.64 113.62 106.08 2k9a n SER 17 Ca -0.18 -2.40 -0.12 0.00 -0.26 0.00 0.00 58.87 55.90 2k9a n SER 17 Cb 0.99 -0.58 -0.10 0.00 -0.26 0.00 0.00 64.21 64.25 2k9a n SER 17 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 2k9a s ASP 18 N 0.24 0.24 0.64 4.04 2.15 -1.24 -5.02 116.67 117.71 2k9a s ASP 18 Ca 0.16 -1.39 0.35 0.00 0.43 0.00 0.00 52.55 52.09 2k9a s ASP 18 Cb 0.13 0.37 1.97 0.00 -0.30 0.00 0.00 42.92 45.09 2k9a s ASP 18 CO 0.03 -0.84 2.18 0.00 -0.17 0.00 0.00 175.17 176.38 2k9a h ALA 19 N 2.60 1.37 -0.23 3.66 0.00 -1.88 -2.63 119.26 122.14 2k9a h ALA 19 Ca -0.36 -0.00 0.05 0.00 0.00 0.00 0.00 54.91 54.59 2k9a h ALA 19 Cb 1.25 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 19.00 2k9a h ALA 19 CO 0.53 -0.16 -0.06 1.49 0.00 0.00 0.00 179.25 181.06 2k9a h GLU 20 N 0.00 -0.00 -0.72 0.00 4.81 -1.93 0.50 114.58 117.24 2k9a h GLU 20 Ca 0.03 0.00 0.01 0.00 -0.13 0.00 0.00 59.36 59.27 2k9a h GLU 20 Cb 0.29 0.00 -0.04 0.00 0.63 0.00 0.00 28.75 29.63 2k9a h GLU 20 CO -0.00 -0.00 0.47 0.35 -0.73 0.00 0.00 179.01 179.10 2k9a h PHE 21 N -0.00 0.89 -0.52 0.92 3.04 -0.84 -1.74 116.94 118.68 2k9a h PHE 21 Ca 0.11 0.02 -0.01 0.00 3.98 0.00 0.00 57.97 62.07 2k9a h PHE 21 Cb 0.17 -0.30 -0.03 0.00 2.56 0.00 0.00 35.95 38.35 2k9a h PHE 21 CO -0.24 0.55 0.27 0.22 -2.02 0.00 0.00 178.31 177.09 2k9a h ASP 22 N 0.95 0.63 -0.51 0.41 1.82 -1.47 -2.30 116.42 115.95 2k9a h ASP 22 Ca 0.27 -0.05 -0.03 0.00 -0.39 0.00 0.00 57.03 56.83 2k9a h ASP 22 Cb -0.08 -0.16 -0.02 0.00 0.68 0.00 0.00 39.33 39.75 2k9a h ASP 22 CO -0.07 0.52 0.19 0.00 -1.61 0.00 0.00 179.24 178.27 2k9a h ALA 23 N 1.58 0.67 -0.74 -0.78 0.00 -0.05 -2.45 119.26 117.48 2k9a h ALA 23 Ca 0.18 -0.17 0.03 0.00 0.00 0.00 0.00 54.91 54.96 2k9a h ALA 23 Cb 0.04 -0.20 -0.05 0.00 0.00 0.00 0.00 17.79 17.58 2k9a h ALA 23 CO -0.03 0.30 0.47 0.28 0.00 0.00 0.00 179.25 180.27 2k9a h VAL 24 N 0.69 1.11 -0.80 0.00 2.07 -0.89 -1.53 116.25 116.91 2k9a h VAL 24 Ca 0.17 -0.32 0.01 0.00 0.82 0.00 0.00 66.70 67.39 2k9a h VAL 24 Cb 0.23 0.11 -0.04 0.00 -1.52 0.00 0.00 31.29 30.06 2k9a h VAL 24 CO -0.01 0.17 0.53 0.58 0.02 0.00 0.00 177.57 178.86 2k9a h VAL 25 N 0.92 1.19 -0.63 2.57 2.07 -1.19 -2.02 116.25 119.16 2k9a h VAL 25 Ca 0.30 -0.36 -0.04 0.00 0.82 0.00 0.00 66.70 67.41 2k9a h VAL 25 Cb 0.01 0.03 -0.03 0.00 -1.52 0.00 0.00 31.29 29.79 2k9a h VAL 25 CO -0.11 0.19 0.24 1.23 0.02 0.00 0.00 177.57 179.14 2k9a h GLY 26 N 1.06 1.02 1.46 2.17 0.00 -0.83 -2.42 103.07 105.54 2k9a h GLY 26 Ca 0.30 -0.57 -0.06 0.00 0.00 0.00 0.00 47.33 47.00 2k9a h GLY 26 CO -0.07 0.54 0.02 -0.97 0.00 0.00 0.00 176.54 176.06 2k9a h TYR 27 N 0.89 0.70 -0.13 5.60 0.05 -0.86 -2.46 116.97 120.76 2k9a h TYR 27 Ca 0.21 -0.08 -0.00 0.00 0.05 0.00 0.00 58.73 58.91 2k9a h TYR 27 Cb 0.23 -0.20 -0.01 0.00 1.01 0.00 0.00 36.73 37.76 2k9a h TYR 27 CO 0.01 0.65 0.06 -0.07 -1.05 0.00 0.00 178.16 177.77 2k9a h LEU 28 N 0.64 0.17 -1.51 3.88 3.38 -1.02 -2.30 115.31 118.56 2k9a h LEU 28 Ca 0.13 -0.12 -0.00 0.00 0.09 0.00 0.00 57.88 57.98 2k9a h LEU 28 Cb 0.36 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 41.05 2k9a h LEU 28 CO 0.01 0.24 0.27 -0.33 0.09 0.00 0.00 178.44 178.73 2k9a h GLU 29 N 0.09 0.60 -0.20 1.13 5.08 -1.27 -1.07 114.58 118.95 2k9a h GLU 29 Ca 0.05 -0.05 -0.07 0.00 -1.00 0.00 0.00 59.36 58.29 2k9a h GLU 29 Cb 0.12 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.22 2k9a h GLU 29 CO -0.01 0.42 -0.17 0.22 -1.00 0.00 0.00 179.01 178.47 2k9a h ASP 30 N 0.61 0.32 0.20 1.42 1.82 -1.05 -2.46 116.42 117.29 2k9a h ASP 30 Ca 0.16 -0.08 -0.31 0.00 -0.39 0.00 0.00 57.03 56.41 2k9a h ASP 30 Cb -0.03 -0.09 0.03 0.00 0.68 0.00 0.00 39.33 39.93 2k9a h ASP 30 CO -0.03 0.52 -1.31 0.40 -1.61 0.00 0.00 179.24 177.21 2k9a h ILE 31 N 0.31 1.30 -0.52 2.25 2.04 -0.72 -2.61 117.51 119.55 2k9a h ILE 31 Ca 0.06 -2.56 -0.01 0.00 1.00 0.00 0.00 64.86 63.35 2k9a h ILE 31 Cb 0.49 2.80 -0.03 0.00 -0.74 0.00 0.00 36.82 39.34 2k9a h ILE 31 CO 0.03 0.77 0.29 0.40 0.00 0.00 0.00 178.15 179.64 2k9a h ILE 32 N 0.23 1.16 -0.13 -0.67 2.04 -1.08 -1.16 117.51 117.90 2k9a h ILE 32 Ca -0.20 -0.39 0.00 0.00 1.00 0.00 0.00 64.86 65.27 2k9a h ILE 32 Cb 1.99 0.45 0.00 0.00 -0.74 0.00 0.00 36.82 38.52 2k9a h ILE 32 CO 0.25 0.17 0.00 0.23 0.00 0.00 0.00 178.15 178.80 2k9a n MET 33 N -4.41 1.97 -2.22 2.37 2.81 -0.94 -4.70 117.12 112.01 2k9a n MET 33 Ca 0.05 -1.44 -0.42 0.00 -1.81 0.00 0.00 57.70 54.08 2k9a n MET 33 Cb 0.09 -1.46 -0.03 0.00 -0.71 0.00 0.00 33.22 31.12 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 -1.77 6.88 0.13 7.83 2.15 -0.44 -4.94 116.67 126.52 2k9a s ASP 34 Ca 0.34 2.31 -0.24 0.00 0.43 0.00 0.00 52.55 55.40 2k9a s ASP 34 Cb 0.20 -2.59 -0.02 0.00 -0.30 0.00 0.00 42.92 40.21 2k9a s ASP 34 CO 0.30 -0.58 1.64 0.44 -0.17 0.00 0.00 175.17 176.79 2k9a h ASP 35 N 6.29 -0.75 -0.50 -0.34 3.32 -1.90 -0.58 116.42 121.97 2k9a h ASP 35 Ca -0.43 0.12 0.10 0.00 0.02 0.00 0.00 57.03 56.84 2k9a h ASP 35 Cb 1.21 0.33 -0.03 0.00 0.22 0.00 0.00 39.33 41.06 2k9a h ASP 35 CO 0.83 -0.30 0.34 -0.08 -1.72 0.00 0.00 179.24 178.31 2k9a h GLU 36 N -0.32 0.21 -0.07 3.56 4.57 -1.94 -0.34 114.58 120.26 2k9a h GLU 36 Ca 0.09 -0.01 -0.18 0.00 -1.18 0.00 0.00 59.36 58.09 2k9a h GLU 36 Cb 0.46 -0.05 -0.01 0.00 -0.16 0.00 0.00 28.75 28.99 2k9a h GLU 36 CO -0.29 0.14 -0.72 0.35 -1.18 0.00 0.00 179.01 177.30 2k9a h PHE 37 N 0.22 0.46 -0.05 0.92 3.57 -1.42 -2.42 116.94 118.22 2k9a h PHE 37 Ca 0.23 -0.20 -0.00 0.00 3.53 0.00 0.00 57.97 61.53 2k9a h PHE 37 Cb 0.63 -0.07 -0.00 0.00 2.79 0.00 0.00 35.95 39.30 2k9a h PHE 37 CO -0.00 0.95 0.03 1.96 -2.23 0.00 0.00 178.31 179.02 2k9a h GLN 38 N 0.23 0.07 -0.48 1.11 1.08 0.32 -0.84 115.11 116.60 2k9a h GLN 38 Ca -0.03 -0.01 -0.08 0.00 -1.45 0.00 0.00 58.65 57.09 2k9a h GLN 38 Cb 1.29 -0.01 -0.02 0.00 -0.05 0.00 0.00 27.48 28.68 2k9a h GLN 38 CO 0.12 0.11 -0.01 1.25 -0.95 0.00 0.00 178.83 179.35 2k9a h LEU 39 N 0.02 0.78 0.17 1.46 5.85 -1.52 -2.30 115.31 119.76 2k9a h LEU 39 Ca 0.02 -0.19 -0.01 0.00 0.84 0.00 0.00 57.88 58.54 2k9a h LEU 39 Cb 0.05 -0.21 0.00 0.00 0.37 0.00 0.00 40.66 40.88 2k9a h LEU 39 CO -0.00 0.85 -0.08 0.25 -0.34 0.00 0.00 178.44 179.11 2k9a h LEU 40 N 0.75 -0.19 0.37 2.25 5.85 -1.14 -0.48 115.31 122.71 2k9a h LEU 40 Ca 0.14 -0.05 -0.02 0.00 0.84 0.00 0.00 57.88 58.80 2k9a h LEU 40 Cb 0.46 0.05 0.00 0.00 0.37 0.00 0.00 40.66 41.55 2k9a h LEU 40 CO 0.02 -0.08 -0.18 -0.61 -0.34 0.00 0.00 178.44 177.25 2k9a h GLN 41 N -0.30 -0.48 -0.60 1.25 4.15 -1.10 -2.76 115.11 115.27 2k9a h GLN 41 Ca -0.02 0.03 -0.00 0.00 0.77 0.00 0.00 58.65 59.43 2k9a h GLN 41 Cb 0.23 0.11 -0.03 0.00 0.21 0.00 0.00 27.48 28.00 2k9a h GLN 41 CO 0.04 -0.24 0.37 0.00 -1.93 0.00 0.00 178.83 177.07 2k9a h ARG 42 N -0.62 0.82 -0.23 1.69 2.47 -1.46 -0.63 114.38 116.42 2k9a h ARG 42 Ca -0.05 -0.07 0.03 0.00 -1.26 0.00 0.00 59.98 58.63 2k9a h ARG 42 Cb 0.45 -0.17 -0.03 0.00 -1.65 0.00 0.00 29.97 28.57 2k9a h ARG 42 CO 0.08 0.58 0.03 -0.97 0.56 0.00 0.00 179.97 180.25 2k9a h ASN 43 N 0.82 -0.03 0.24 7.04 -1.24 -1.08 -1.90 115.58 119.43 2k9a h ASN 43 Ca 0.22 0.04 -0.19 0.00 0.71 0.00 0.00 56.30 57.08 2k9a h ASN 43 Cb -0.03 0.07 -0.00 0.00 0.73 0.00 0.00 38.32 39.08 2k9a h ASN 43 CO -0.04 0.01 -0.74 -0.26 -1.29 0.00 0.00 177.43 175.11 2k9a h PHE 44 N 0.11 0.58 0.00 0.67 -1.00 -1.38 -3.00 116.94 112.92 2k9a h PHE 44 Ca 0.11 -0.26 -0.01 0.00 2.81 0.00 0.00 57.97 60.61 2k9a h PHE 44 Cb 0.12 -0.09 -0.00 0.00 3.61 0.00 0.00 35.95 39.59 2k9a h PHE 44 CO -0.17 1.02 -0.06 0.52 -1.61 0.00 0.00 178.31 178.02 2k9a h MET 45 N 0.29 0.00 -0.13 1.51 2.86 -0.84 -1.48 114.93 117.14 2k9a h MET 45 Ca -0.03 0.00 0.04 0.00 -2.06 0.00 0.00 59.70 57.64 2k9a h MET 45 Cb 1.32 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.98 2k9a h MET 45 CO 0.13 0.06 0.10 0.22 1.06 0.00 0.00 176.91 178.47 2k9a h ASP 46 N 0.00 0.01 0.00 1.22 1.82 -1.20 -0.92 116.42 117.36 2k9a h ASP 46 Ca -0.00 -0.00 -0.30 0.00 -0.39 0.00 0.00 57.03 56.34 2k9a h ASP 46 Cb 0.16 -0.00 -0.04 0.00 0.68 0.00 0.00 39.33 40.12 2k9a h ASP 46 CO 0.01 0.01 -1.66 1.17 -1.61 0.00 0.00 179.24 177.15 2k9a n LYS 47 N -4.50 0.57 -0.07 0.28 3.00 -0.60 -4.31 118.16 112.52 2k9a n LYS 47 Ca 0.00 0.46 -0.07 0.00 -0.00 0.00 0.00 58.31 58.70 2k9a n LYS 47 Cb 0.21 -1.65 -0.01 0.00 0.00 0.00 0.00 35.03 33.57 2k9a n LYS 47 CO 0.00 0.00 0.00 1.88 0.00 0.00 0.00 177.40 179.28 2k9a h TYR 48 N -1.00 -0.16 -0.75 5.64 -1.99 -1.37 -1.27 116.97 116.07 2k9a h TYR 48 Ca -0.45 0.03 0.19 0.00 2.00 0.00 0.00 58.73 60.49 2k9a h TYR 48 Cb 1.37 0.12 -0.04 0.00 2.00 0.00 0.00 36.73 40.17 2k9a h TYR 48 CO 0.01 -0.13 0.52 0.10 -0.00 0.00 0.00 178.16 178.66 2k9a h TYR 49 N -0.01 0.25 0.03 4.88 -0.00 -1.40 0.12 116.97 120.84 2k9a h TYR 49 Ca 0.14 0.01 -0.24 0.00 -0.00 0.00 0.00 58.73 58.63 2k9a h TYR 49 Cb 0.21 -0.08 -0.02 0.00 -0.00 0.00 0.00 36.73 36.84 2k9a h TYR 49 CO -0.28 0.08 -1.17 1.37 -0.00 0.00 0.00 178.16 178.16 2k9a h LEU 50 N 0.20 0.11 -0.22 0.10 8.10 -1.48 -3.33 115.31 118.79 2k9a h LEU 50 Ca 0.37 -0.13 -0.10 0.00 0.11 0.00 0.00 57.88 58.13 2k9a h LEU 50 Cb 1.16 -0.04 -0.00 0.00 -0.44 0.00 0.00 40.66 41.34 2k9a h LEU 50 CO -0.07 1.10 -0.25 -0.33 -4.11 0.00 0.00 178.44 174.78 2k9a h GLU 51 N 0.02 0.56 -5.92 0.17 5.08 0.25 -3.38 114.58 111.35 2k9a h GLU 51 Ca -0.08 -0.31 -0.50 0.00 -1.00 0.00 0.00 59.36 57.47 2k9a h GLU 51 Cb 1.86 0.02 -0.08 0.00 0.50 0.00 0.00 28.75 31.04 2k9a h GLU 51 CO 0.14 0.90 1.31 -0.06 -1.00 0.00 0.00 179.01 180.30 2k9a s PHE 52 N -4.29 2.30 0.10 4.33 0.40 -0.23 -4.97 117.98 115.62 2k9a s PHE 52 Ca -0.13 -0.39 -0.17 0.00 -0.60 0.00 0.00 56.93 55.64 2k9a s PHE 52 Cb 0.07 -4.46 -0.07 0.00 0.51 0.00 0.00 43.02 39.07 2k9a s PHE 52 CO 0.80 -1.82 0.55 -1.21 0.70 0.00 0.00 175.22 174.24 2k9a s GLU 53 N 5.62 4.09 -0.73 0.44 2.02 -1.26 -4.90 118.70 123.98 2k9a s GLU 53 Ca 0.56 0.62 -0.26 0.00 0.02 0.00 0.00 54.97 55.91 2k9a s GLU 53 Cb -0.02 -3.11 -0.02 0.00 0.10 0.00 0.00 34.13 31.08 2k9a s GLU 53 CO -0.04 0.57 1.83 0.34 0.02 0.00 0.00 175.26 177.99 2k9a s ASP 54 N -1.36 5.34 0.32 -0.19 -1.08 -1.26 -4.92 116.67 113.51 2k9a s ASP 54 Ca 0.32 -0.12 0.03 0.00 -0.52 0.00 0.00 52.55 52.27 2k9a s ASP 54 Cb -0.17 -2.54 -0.04 0.00 -1.46 0.00 0.00 42.92 38.70 2k9a s ASP 54 CO 0.19 -2.43 0.13 0.42 0.52 0.00 0.00 175.17 174.00 2k9a s THR 55 N 9.01 0.55 -0.12 1.71 -4.23 -1.26 -5.06 115.64 116.24 2k9a s THR 55 Ca 0.65 -2.00 0.20 0.00 -1.18 0.00 0.00 61.69 59.36 2k9a s THR 55 Cb -0.10 -2.54 -0.28 0.00 1.34 0.00 0.00 72.50 70.92 2k9a s THR 55 CO 0.12 0.00 0.32 -0.62 -0.54 0.00 0.00 174.62 173.90 2k9a n GLU 56 N -0.65 0.67 -3.74 3.99 1.02 -1.26 -4.95 120.64 115.73 2k9a n GLU 56 Ca -0.01 -0.08 -0.34 0.00 -0.02 0.00 0.00 57.16 56.71 2k9a n GLU 56 Cb 0.65 -1.54 -0.05 0.00 -0.02 0.00 0.00 31.44 30.48 2k9a n GLU 56 CO 0.00 0.00 0.00 -1.21 1.18 0.00 0.00 177.13 177.10 2k9a s GLU 57 N -3.00 3.60 0.20 3.49 2.02 -1.26 -5.10 118.70 118.65 2k9a s GLU 57 Ca -0.09 -0.05 0.01 0.00 0.02 0.00 0.00 54.97 54.87 2k9a s GLU 57 Cb 0.10 -3.06 -0.04 0.00 0.10 0.00 0.00 34.13 31.23 2k9a s GLU 57 CO 0.86 0.63 0.37 -0.80 0.02 0.00 0.00 175.26 176.34 2k9a s ASN 58 N -1.73 6.35 0.26 -0.19 0.01 -1.26 -5.12 114.94 113.26 2k9a s ASN 58 Ca 0.29 0.29 0.08 0.00 -0.71 0.00 0.00 52.86 52.81 2k9a s ASN 58 Cb -0.13 -1.96 -0.05 0.00 0.41 0.00 0.00 41.25 39.52 2k9a s ASN 58 CO 0.17 -0.04 -0.12 -0.54 -1.51 0.00 0.00 177.10 175.05 2k9a s LYS 59 N -3.47 1.53 0.35 -0.60 1.02 -1.26 -5.03 119.74 112.28 2k9a s LYS 59 Ca 0.37 -1.73 0.24 0.00 0.02 0.00 0.00 55.97 54.87 2k9a s LYS 59 Cb -0.11 -1.33 0.51 0.00 -0.52 0.00 0.00 37.83 36.38 2k9a s LYS 59 CO 0.29 0.17 1.67 1.25 -0.92 0.00 0.00 175.35 177.81 2k9a h LEU 60 N 2.35 0.00 -1.48 3.17 5.85 -2.04 -3.19 115.31 119.97 2k9a h LEU 60 Ca -0.39 -0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.33 2k9a h LEU 60 Cb 1.24 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.27 2k9a h LEU 60 CO 0.64 0.00 0.00 -0.29 -0.34 0.00 0.00 178.44 178.45 2k9a h ILE 61 N 0.00 0.00 0.00 4.05 6.09 -2.02 -1.91 117.51 123.71 2k9a h ILE 61 Ca 0.00 -0.18 0.00 0.00 -1.37 0.00 0.00 64.86 63.31 2k9a h ILE 61 Cb 0.90 0.94 0.00 0.00 0.47 0.00 0.00 36.82 39.13 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 0.06 2.19 0.05 -1.99 -2.86 116.97 114.43 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 0.22 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.96 2k9a h TYR 62 CO 0.00 0.00 -0.03 1.15 -1.05 0.00 0.00 178.16 178.23 2k9a h THR 63 N 0.00 1.15 -0.74 -2.88 2.02 -1.59 -2.38 112.91 108.50 2k9a h THR 63 Ca 0.00 -1.53 0.00 0.00 0.77 0.00 0.00 66.41 65.65 2k9a h THR 63 Cb 0.56 2.04 -0.04 0.00 -1.74 0.00 0.00 68.15 68.97 2k9a h THR 63 CO 0.00 0.34 0.47 -0.65 0.37 0.00 0.00 175.52 176.05 2k9a h PRO 64 N -0.87 0.98 -0.75 6.66 0.11 -1.71 -2.25 132.00 134.18 2k9a h PRO 64 Ca -0.01 -0.07 -0.00 0.00 0.11 0.00 0.00 66.00 66.02 2k9a h PRO 64 Cb 0.62 -0.21 -0.04 0.00 0.11 0.00 0.00 31.00 31.48 2k9a h PRO 64 CO 0.01 0.67 0.46 0.82 -0.21 0.00 0.00 178.00 179.75 2k9a h ILE 65 N 1.00 1.21 -0.71 4.15 2.04 -1.62 -2.14 117.51 121.44 2k9a h ILE 65 Ca 0.27 -0.46 -0.01 0.00 1.00 0.00 0.00 64.86 65.65 2k9a h ILE 65 Cb -0.08 0.16 -0.03 0.00 -0.74 0.00 0.00 36.82 36.13 2k9a h ILE 65 CO -0.05 0.22 0.39 0.15 0.00 0.00 0.00 178.15 178.86 2k9a h PHE 66 N 1.03 0.96 -0.17 1.37 3.57 -1.04 -1.70 116.94 120.95 2k9a h PHE 66 Ca 0.27 -0.01 -0.07 0.00 3.53 0.00 0.00 57.97 61.68 2k9a h PHE 66 Cb -0.04 -0.31 -0.01 0.00 2.79 0.00 0.00 35.95 38.38 2k9a h PHE 66 CO -0.01 0.66 -0.22 -0.91 -2.23 0.00 0.00 178.31 175.60 2k9a h ASN 67 N 0.99 0.30 -0.19 0.41 -0.26 -0.83 -2.30 115.58 113.71 2k9a h ASN 67 Ca 0.25 -0.09 -0.11 0.00 -0.56 0.00 0.00 56.30 55.79 2k9a h ASN 67 Cb 0.02 -0.08 -0.01 0.00 -1.06 0.00 0.00 38.32 37.18 2k9a h ASN 67 CO -0.04 0.53 -0.26 -0.08 -1.06 0.00 0.00 177.43 176.52 2k9a h GLU 68 N 0.28 0.66 -0.40 0.81 4.81 -0.73 -0.42 114.58 119.59 2k9a h GLU 68 Ca 0.05 -0.27 -0.13 0.00 -0.13 0.00 0.00 59.36 58.87 2k9a h GLU 68 Cb 0.55 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.89 2k9a h GLU 68 CO 0.04 0.86 -0.27 -0.92 -0.73 0.00 0.00 179.01 177.98 2k9a h TYR 69 N 0.57 1.05 -0.01 0.92 3.20 -1.06 0.42 116.97 122.07 2k9a h TYR 69 Ca 0.08 -0.28 -0.15 0.00 3.14 0.00 0.00 58.73 61.51 2k9a h TYR 69 Cb 0.75 -0.23 -0.02 0.00 1.54 0.00 0.00 36.73 38.76 2k9a h TYR 69 CO 0.03 1.08 -0.71 0.82 -1.64 0.00 0.00 178.16 177.75 2k9a h ILE 70 N 0.71 1.48 0.00 1.81 1.08 -1.31 0.33 117.51 121.61 2k9a h ILE 70 Ca 0.08 -2.35 -0.22 0.00 -0.39 0.00 0.00 64.86 61.98 2k9a h ILE 70 Cb 0.85 2.27 -0.03 0.00 -3.07 0.00 0.00 36.82 36.83 2k9a h ILE 70 CO 0.07 0.68 -1.12 0.28 -0.69 0.00 0.00 178.15 177.37 2k9a h SER 71 N 0.04 0.00 0.00 1.72 0.02 -1.00 -0.69 113.55 113.64 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 1.25 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.79 2k9a h SER 71 CO 0.10 0.93 -0.35 -0.11 -1.14 0.00 0.00 176.83 176.26 2k9a n LEU 72 N -3.25 1.15 0.10 5.07 -0.00 0.13 -4.18 117.00 116.01 2k9a n LEU 72 Ca -0.04 0.47 -0.05 0.00 -0.00 0.00 0.00 56.01 56.39 2k9a n LEU 72 Cb 0.94 -0.73 -0.02 0.00 -0.00 0.00 0.00 43.42 43.61 2k9a n LEU 72 CO 0.46 -0.47 0.16 0.58 -0.00 0.00 0.00 177.39 178.11 2k9a h VAL 73 N -0.63 0.00 -0.67 1.96 2.07 -1.13 -2.37 116.25 115.49 2k9a h VAL 73 Ca 0.00 -0.55 0.10 0.00 0.82 0.00 0.00 66.70 67.07 2k9a h VAL 73 Cb 0.35 0.00 -0.08 0.00 -1.52 0.00 0.00 31.29 30.04 2k9a h VAL 73 CO 0.00 0.00 0.28 -0.08 0.02 0.00 0.00 177.57 177.79 2k9a h GLU 74 N -0.87 0.46 -0.64 1.57 4.22 -1.48 -1.07 114.58 116.76 2k9a h GLU 74 Ca -0.03 -0.03 -0.07 0.00 0.08 0.00 0.00 59.36 59.31 2k9a h GLU 74 Cb 0.25 -0.10 -0.03 0.00 0.50 0.00 0.00 28.75 29.36 2k9a h GLU 74 CO 0.05 0.30 0.13 -0.22 -2.18 0.00 0.00 179.01 177.09 2k9a h LYS 75 N 0.47 1.04 -0.72 1.92 3.64 -1.26 -2.56 116.57 119.10 2k9a h LYS 75 Ca 0.34 -0.25 0.06 0.00 -1.27 0.00 0.00 60.65 59.53 2k9a h LYS 75 Cb 0.42 -0.13 -0.06 0.00 -0.41 0.00 0.00 32.23 32.05 2k9a h LYS 75 CO -0.31 0.94 0.41 -0.92 -2.27 0.00 0.00 179.45 177.30 2k9a h TYR 76 N 0.98 0.76 -0.17 1.91 3.20 -0.65 -1.22 116.97 121.79 2k9a h TYR 76 Ca 0.20 0.03 -0.02 0.00 3.14 0.00 0.00 58.73 62.08 2k9a h TYR 76 Cb 0.39 -0.24 -0.01 0.00 1.54 0.00 0.00 36.73 38.42 2k9a h TYR 76 CO 0.03 0.37 0.03 0.82 -1.64 0.00 0.00 178.16 177.76 2k9a h ILE 77 N 0.76 1.22 -0.58 1.81 2.04 -1.18 -2.41 117.51 119.16 2k9a h ILE 77 Ca 0.32 -0.69 0.05 0.00 1.00 0.00 0.00 64.86 65.53 2k9a h ILE 77 Cb 0.19 1.36 -0.05 0.00 -0.74 0.00 0.00 36.82 37.59 2k9a h ILE 77 CO -0.18 0.21 0.31 -0.08 0.00 0.00 0.00 178.15 178.41 2k9a h GLU 78 N 0.06 0.59 -0.32 2.37 4.81 -1.08 -1.97 114.58 119.04 2k9a h GLU 78 Ca 0.05 -0.04 -0.01 0.00 -0.13 0.00 0.00 59.36 59.24 2k9a h GLU 78 Cb 0.29 -0.13 -0.01 0.00 0.63 0.00 0.00 28.75 29.53 2k9a h GLU 78 CO 0.00 0.39 0.16 0.93 -0.73 0.00 0.00 179.01 179.76 2k9a h GLU 79 N 0.60 0.45 -0.23 1.92 5.08 -1.18 -0.73 114.58 120.49 2k9a h GLU 79 Ca 0.25 -0.06 0.02 0.00 -1.00 0.00 0.00 59.36 58.57 2k9a h GLU 79 Cb 0.13 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.28 2k9a h GLU 79 CO -0.16 0.40 0.16 1.96 -1.00 0.00 0.00 179.01 180.37 2k9a h GLN 80 N 0.38 0.23 0.08 2.33 1.08 -1.08 -1.87 115.11 116.27 2k9a h GLN 80 Ca 0.11 -0.01 -0.26 0.00 -1.45 0.00 0.00 58.65 57.04 2k9a h GLN 80 Cb 0.09 -0.05 0.01 0.00 -0.05 0.00 0.00 27.48 27.48 2k9a h GLN 80 CO -0.02 0.15 -1.13 -0.07 -0.95 0.00 0.00 178.83 176.82 2k9a h LEU 81 N 0.24 0.57 -1.52 1.46 3.38 -0.86 -3.25 115.31 115.32 2k9a h LEU 81 Ca 0.09 -0.53 -0.05 0.00 0.09 0.00 0.00 57.88 57.48 2k9a h LEU 81 Cb 0.08 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.65 2k9a h LEU 81 CO -0.02 1.36 -0.25 -0.07 0.09 0.00 0.00 178.44 179.56 2k9a h LEU 82 N 0.18 0.00 -2.26 1.67 3.38 -0.36 0.14 115.31 118.07 2k9a h LEU 82 Ca -0.13 0.00 0.03 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 0.25 0.11 1.56 0.09 0.00 0.00 178.44 180.64 2k9a h GLN 83 N 0.00 0.00 0.00 1.13 4.20 -1.45 -2.80 115.11 116.19 2k9a h GLN 83 Ca -0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 2k9a h GLN 83 Cb 0.50 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.28 2k9a h GLN 83 CO 0.03 0.00 -0.85 0.54 -0.67 0.00 0.00 178.83 177.88 2k9a n ARG 84 N -4.00 1.70 -3.60 1.46 1.74 -0.98 -4.89 116.66 108.08 2k9a n ARG 84 Ca -0.00 -0.02 -0.29 0.00 -0.77 0.00 0.00 57.85 56.77 2k9a n ARG 84 Cb 0.21 -0.94 -0.12 0.00 -1.02 0.00 0.00 32.46 30.59 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 -1.92 0.92 -1.65 0.55 1.01 0.47 -4.96 121.20 115.61 2k9a s ILE 85 Ca -0.00 -2.31 0.20 0.00 0.00 0.00 0.00 60.65 58.53 2k9a s ILE 85 Cb 0.02 -1.65 0.44 0.00 0.01 0.00 0.00 42.46 41.28 2k9a s ILE 85 CO 0.10 -0.96 1.62 -0.81 0.00 0.00 0.00 174.94 174.90 2k9a n PRO 86 N 3.62 0.43 -0.30 2.79 -0.04 -1.20 -2.26 135.00 138.05 2k9a n PRO 86 Ca 0.12 0.06 0.07 0.00 -0.04 0.00 0.00 63.50 63.71 2k9a n PRO 86 Cb 0.36 -1.50 0.20 0.00 -0.04 0.00 0.00 33.50 32.52 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 -1.17 2.79 -2.61 0.54 1.02 -1.26 -5.02 120.64 114.92 2k9a n GLU 87 Ca 0.12 -2.47 -0.35 0.00 -0.02 0.00 0.00 57.16 54.44 2k9a n GLU 87 Cb 0.12 -1.57 -0.05 0.00 -0.02 0.00 0.00 31.44 29.93 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 -2.09 3.21 -0.28 -0.32 5.36 -0.96 -5.05 117.98 117.86 2k9a s PHE 88 Ca 0.32 1.62 -0.03 0.00 -0.96 0.00 0.00 56.93 57.89 2k9a s PHE 88 Cb 0.24 -3.04 0.09 0.00 -0.34 0.00 0.00 43.02 39.97 2k9a s PHE 88 CO 0.10 -0.55 0.10 1.21 -1.46 0.00 0.00 175.22 174.62 2k9a s ASN 89 N -1.82 3.57 0.62 6.13 3.04 -1.26 -4.99 114.94 120.23 2k9a s ASN 89 Ca 0.61 -1.32 0.38 0.00 0.04 0.00 0.00 52.86 52.58 2k9a s ASN 89 Cb -0.17 -0.58 2.08 0.00 -1.54 0.00 0.00 41.25 41.04 2k9a s ASN 89 CO 0.22 -0.41 2.28 0.24 -3.04 0.00 0.00 177.10 176.39 2k9a h MET 90 N 8.26 0.00 0.27 0.43 2.86 -1.98 -0.76 114.93 124.01 2k9a h MET 90 Ca -0.17 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.46 2k9a h MET 90 Cb 1.04 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.70 2k9a h MET 90 CO 0.43 0.01 -0.13 0.00 1.06 0.00 0.00 176.91 178.28 2k9a h ALA 91 N 1.99 -0.36 0.00 6.32 0.00 -2.00 -2.62 119.26 122.58 2k9a h ALA 91 Ca -0.00 -0.17 -0.08 0.00 0.00 0.00 0.00 54.91 54.67 2k9a h ALA 91 Cb 0.08 0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 2k9a h ALA 91 CO 0.00 -0.38 -0.37 0.00 0.00 0.00 0.00 179.25 178.49 2k9a h ALA 92 N -0.73 1.19 0.11 0.00 0.00 -1.95 -2.79 119.26 115.08 2k9a h ALA 92 Ca -0.04 -0.34 -0.01 0.00 0.00 0.00 0.00 54.91 54.53 2k9a h ALA 92 Cb 0.45 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.18 2k9a h ALA 92 CO 0.06 0.47 -0.05 0.35 0.00 0.00 0.00 179.25 180.07 2k9a h PHE 93 N 0.00 -0.14 0.08 0.00 3.57 -1.23 -2.59 116.94 116.63 2k9a h PHE 93 Ca -0.00 -0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.49 2k9a h PHE 93 Cb 0.75 0.05 0.00 0.00 2.79 0.00 0.00 35.95 39.54 2k9a h PHE 93 CO 0.00 0.25 -0.04 1.79 -2.23 0.00 0.00 178.31 178.08 2k9a h THR 94 N -0.57 0.97 -0.94 4.41 1.35 -1.46 0.19 112.91 116.86 2k9a h THR 94 Ca -0.02 -0.14 0.10 0.00 -0.55 0.00 0.00 66.41 65.80 2k9a h THR 94 Cb 0.45 1.06 -0.08 0.00 -1.73 0.00 0.00 68.15 67.86 2k9a h THR 94 CO 0.03 0.04 0.58 0.00 -0.25 0.00 0.00 175.52 175.91 2k9a h THR 95 N -0.16 0.95 0.00 6.82 1.03 -1.59 -0.62 112.91 119.35 2k9a h THR 95 Ca -0.01 -0.33 -0.16 0.00 -0.01 0.00 0.00 66.41 65.90 2k9a h THR 95 Cb 0.14 -0.10 -0.02 0.00 -1.07 0.00 0.00 68.15 67.09 2k9a h THR 95 CO 0.02 0.18 -0.75 0.74 -0.01 0.00 0.00 175.52 175.69 2k9a h THR 96 N 0.97 1.45 -0.54 0.00 2.02 -1.26 -3.21 112.91 112.35 2k9a h THR 96 Ca 0.45 -2.66 -0.05 0.00 0.77 0.00 0.00 66.41 64.92 2k9a h THR 96 Cb 0.37 2.47 -0.02 0.00 -1.74 0.00 0.00 68.15 69.23 2k9a h THR 96 CO -0.24 0.74 0.13 0.25 0.37 0.00 0.00 175.52 176.77 2k9a h LEU 97 N 0.00 0.77 -1.06 2.58 6.46 0.91 -0.80 115.31 124.16 2k9a h LEU 97 Ca -0.01 -0.14 0.21 0.00 -0.12 0.00 0.00 57.88 57.83 2k9a h LEU 97 Cb 1.41 -0.20 -0.11 0.00 -0.73 0.00 0.00 40.66 41.03 2k9a h LEU 97 CO 0.10 0.76 0.61 1.56 -0.62 0.00 0.00 178.44 180.85 2k9a h GLN 98 N 0.79 0.66 0.04 1.25 1.08 -1.34 0.18 115.11 117.76 2k9a h GLN 98 Ca 0.17 -0.04 -0.32 0.00 -1.45 0.00 0.00 58.65 57.01 2k9a h GLN 98 Cb 0.30 -0.15 -0.04 0.00 -0.05 0.00 0.00 27.48 27.53 2k9a h GLN 98 CO -0.00 0.43 -1.87 0.72 -0.95 0.00 0.00 178.83 177.16 2k9a n HIS 99 N -4.77 0.97 0.45 2.96 8.25 -1.07 -3.92 115.22 118.08 2k9a n HIS 99 Ca 0.24 0.30 0.05 0.00 -0.26 0.00 0.00 57.72 58.05 2k9a n HIS 99 Cb 0.64 -1.16 0.25 0.00 1.12 0.00 0.00 29.99 30.84 2k9a n HIS 99 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56 2k9a n HIS 100 N -3.16 0.00 0.22 4.41 -0.00 -0.33 -2.61 115.22 113.76 2k9a n HIS 100 Ca -0.23 0.00 0.14 0.00 -0.00 0.00 0.00 57.72 57.63 2k9a n HIS 100 Cb 1.06 -0.34 0.75 0.00 -0.00 0.00 0.00 29.99 31.45 2k9a n HIS 100 CO 0.00 0.00 0.00 0.87 -0.00 0.00 0.00 176.34 177.21 2k9a h LYS 101 N 0.00 0.00 0.00 1.57 1.57 -1.13 -0.21 116.57 118.37 2k9a h LYS 101 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2k9a h LYS 101 Cb 0.12 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.43 2k9a h LYS 101 CO 0.00 0.00 0.00 -0.40 -0.57 0.00 0.00 179.45 178.48 2k9a n ASP 102 N -2.49 0.00 0.06 0.86 5.75 -1.07 -4.04 116.55 115.61 2k9a n ASP 102 Ca -0.02 -0.29 0.00 0.00 -0.01 0.00 0.00 54.79 54.48 2k9a n ASP 102 Cb 0.10 -0.13 0.00 0.00 -1.03 0.00 0.00 41.12 40.06 2k9a n ASP 102 CO 0.00 0.00 0.00 1.21 -0.11 0.00 0.00 177.20 178.30 2k9a n GLU 103 N -1.13 0.00 -0.48 0.11 4.07 -0.10 -5.09 120.64 118.02 2k9a n GLU 103 Ca 0.11 0.00 -0.28 0.00 -0.06 0.00 0.00 57.16 56.92 2k9a n GLU 103 Cb 0.09 -0.32 0.27 0.00 -0.06 0.00 0.00 31.44 31.42 2k9a n GLU 103 CO 0.00 0.00 0.00 0.14 -0.06 0.00 0.00 177.13 177.21 2k9a s VAL 104 N -1.82 1.87 -0.44 6.31 -7.23 -1.16 -4.87 120.40 113.06 2k9a s VAL 104 Ca 0.00 0.00 -0.28 0.00 -1.81 0.00 0.00 61.98 59.89 2k9a s VAL 104 Cb 0.00 -2.04 -0.00 0.00 0.56 0.00 0.00 36.38 34.89 2k9a s VAL 104 CO 0.00 0.00 1.62 0.00 -0.31 0.00 0.00 175.10 176.41 2k9a s ALA 105 N -2.40 2.80 0.44 1.32 0.00 -1.26 -4.86 121.76 117.80 2k9a s ALA 105 Ca 0.69 -0.19 0.13 0.00 0.00 0.00 0.00 51.96 52.59 2k9a s ALA 105 Cb -0.23 -4.06 0.96 0.00 0.00 0.00 0.00 23.12 19.79 2k9a s ALA 105 CO 0.64 -2.82 2.00 0.78 0.00 0.00 0.00 175.76 176.36 2k9a h GLY 106 N 13.57 0.12 1.48 0.00 0.00 -1.89 -2.32 103.07 114.02 2k9a h GLY 106 Ca -0.29 -0.06 -0.06 0.00 0.00 0.00 0.00 47.33 46.91 2k9a h GLY 106 CO 1.11 0.06 -0.01 -0.55 0.00 0.00 0.00 176.54 177.14 2k9a h ASP 107 N 0.11 0.61 0.01 0.19 5.19 -1.97 0.21 116.42 120.77 2k9a h ASP 107 Ca 0.02 -0.13 -0.00 0.00 -0.62 0.00 0.00 57.03 56.30 2k9a h ASP 107 Cb 0.26 -0.16 0.00 0.00 0.18 0.00 0.00 39.33 39.61 2k9a h ASP 107 CO 0.02 0.69 -0.00 0.40 -3.12 0.00 0.00 179.24 177.23 2k9a h ILE 108 N 0.61 1.53 0.00 0.35 1.08 -1.83 -3.24 117.51 116.01 2k9a h ILE 108 Ca 0.12 -1.63 -0.05 0.00 -0.39 0.00 0.00 64.86 62.91 2k9a h ILE 108 Cb 0.40 2.64 -0.01 0.00 -3.07 0.00 0.00 36.82 36.78 2k9a h ILE 108 CO 0.02 0.42 -0.23 0.15 -0.69 0.00 0.00 178.15 177.81 2k9a h PHE 109 N -0.71 0.00 -1.20 1.37 3.57 -1.47 -2.72 116.94 115.78 2k9a h PHE 109 Ca -0.00 0.00 0.35 0.00 3.53 0.00 0.00 57.97 61.85 2k9a h PHE 109 Cb 0.70 0.00 -0.05 0.00 2.79 0.00 0.00 35.95 39.39 2k9a h PHE 109 CO 0.17 0.23 0.86 0.22 -2.23 0.00 0.00 178.31 177.57 2k9a h ASP 110 N 0.00 0.00 0.05 0.41 3.58 -0.97 0.75 116.42 120.24 2k9a h ASP 110 Ca -0.00 0.00 -0.00 0.00 0.42 0.00 0.00 57.03 57.45 2k9a h ASP 110 Cb 0.45 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.50 2k9a h ASP 110 CO 0.03 0.00 -0.03 -0.03 -2.88 0.00 0.00 179.24 176.33 2k9a h MET 111 N 0.00 -0.07 0.00 0.28 4.05 -1.63 -3.18 114.93 114.38 2k9a h MET 111 Ca 0.57 0.00 -0.02 0.00 -0.28 0.00 0.00 59.70 59.97 2k9a h MET 111 Cb 2.29 0.02 -0.00 0.00 -0.80 0.00 0.00 31.60 33.10 2k9a h MET 111 CO -0.01 0.50 -0.09 -0.07 0.23 0.00 0.00 176.91 177.47 2k9a h LEU 112 N -0.71 0.00 -1.91 3.39 3.38 -0.67 -2.84 115.31 115.96 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 0.60 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.32 2k9a h LEU 112 CO 0.01 0.09 0.61 0.25 0.09 0.00 0.00 178.44 179.49 2k9a h LEU 113 N 0.00 0.00 0.00 1.67 5.85 0.35 0.10 115.31 123.28 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 0.40 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.43 2k9a h LEU 113 CO 0.01 0.00 0.01 0.35 -0.34 0.00 0.00 178.44 178.47 2k9a n THR 114 N -3.91 0.54 0.22 1.05 -2.24 -1.07 -1.96 114.28 106.90 2k9a n THR 114 Ca 0.14 0.14 0.06 0.00 -2.27 0.00 0.00 64.05 62.12 2k9a n THR 114 Cb 0.86 -1.14 0.49 0.00 -2.10 0.00 0.00 70.33 68.44 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 -1.07 -3.38 116.94 117.32 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 0.01 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.16 2k9a h PHE 115 CO 0.00 0.23 -0.62 0.25 -0.60 0.00 0.00 178.31 177.56 2k9a n THR 116 N -4.15 0.00 -2.04 -1.55 -2.24 -0.83 -4.96 114.28 98.52 2k9a n THR 116 Ca -0.02 0.00 -0.27 0.00 -2.27 0.00 0.00 64.05 61.49 2k9a n THR 116 Cb 0.29 -0.59 -0.05 0.00 -2.10 0.00 0.00 70.33 67.88 2k9a n THR 116 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 2k9a s ASP 117 N -4.10 5.11 0.55 3.42 1.11 -0.97 -4.77 116.67 117.02 2k9a s ASP 117 Ca 0.00 -0.62 0.23 0.00 0.18 0.00 0.00 52.55 52.33 2k9a s ASP 117 Cb 0.00 -2.56 1.53 0.00 1.07 0.00 0.00 42.92 42.96 2k9a s ASP 117 CO 0.00 -2.76 2.19 0.15 1.18 0.00 0.00 175.17 175.93 2k9a h PHE 118 N 11.45 0.00 -0.65 4.23 3.57 -1.89 -1.57 116.94 132.08 2k9a h PHE 118 Ca 0.08 0.00 -0.08 0.00 3.53 0.00 0.00 57.97 61.50 2k9a h PHE 118 Cb 1.01 0.00 -0.03 0.00 2.79 0.00 0.00 35.95 39.73 2k9a h PHE 118 CO 1.21 0.00 0.07 -0.07 -2.23 0.00 0.00 178.31 177.30 2k9a h LEU 119 N 0.00 1.06 -0.56 0.59 -0.00 -1.96 -1.53 115.31 112.90 2k9a h LEU 119 Ca 0.01 -0.27 -0.16 0.00 -0.00 0.00 0.00 57.88 57.47 2k9a h LEU 119 Cb 0.07 -0.28 -0.02 0.00 -0.00 0.00 0.00 40.66 40.43 2k9a h LEU 119 CO -0.00 1.06 -0.70 0.00 -0.00 0.00 0.00 178.44 178.80 2k9a h ALA 120 N 1.05 0.79 0.28 1.53 0.00 -1.69 -1.65 119.26 119.57 2k9a h ALA 120 Ca 0.19 -0.62 -0.01 0.00 0.00 0.00 0.00 54.91 54.47 2k9a h ALA 120 Cb 0.48 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.18 2k9a h ALA 120 CO 0.02 0.83 -0.14 0.35 0.00 0.00 0.00 179.25 180.32 2k9a h PHE 121 N 0.07 -0.35 -0.32 0.00 3.57 -1.18 -0.22 116.94 118.51 2k9a h PHE 121 Ca -0.01 -0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.47 2k9a h PHE 121 Cb 1.24 0.12 -0.01 0.00 2.79 0.00 0.00 35.95 40.09 2k9a h PHE 121 CO 0.01 -0.02 0.16 -0.22 -2.23 0.00 0.00 178.31 176.02 2k9a h LYS 122 N -0.73 0.46 -0.20 1.11 3.64 -1.35 -2.28 116.57 117.22 2k9a h LYS 122 Ca -0.04 -0.07 -0.00 0.00 -1.27 0.00 0.00 60.65 59.27 2k9a h LYS 122 Cb 0.49 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 32.22 2k9a h LYS 122 CO 0.06 0.42 0.12 1.49 -2.27 0.00 0.00 179.45 179.27 2k9a h GLU 123 N 0.39 0.26 -0.21 1.90 4.57 -1.33 -1.94 114.58 118.22 2k9a h GLU 123 Ca 0.11 -0.02 -0.01 0.00 -1.18 0.00 0.00 59.36 58.26 2k9a h GLU 123 Cb 0.11 -0.06 -0.01 0.00 -0.16 0.00 0.00 28.75 28.63 2k9a h GLU 123 CO -0.01 0.19 0.10 1.98 -1.18 0.00 0.00 179.01 180.08 2k9a h MET 124 N 0.27 0.30 -0.62 1.92 4.05 -0.45 -1.23 114.93 119.18 2k9a h MET 124 Ca 0.07 -0.05 -0.07 0.00 -0.28 0.00 0.00 59.70 59.38 2k9a h MET 124 Cb -0.01 -0.05 -0.02 0.00 -0.80 0.00 0.00 31.60 30.72 2k9a h MET 124 CO -0.01 0.33 0.11 0.74 0.23 0.00 0.00 176.91 178.30 2k9a h PHE 125 N 0.20 1.08 -0.08 1.39 0.04 -1.16 -2.37 116.94 116.03 2k9a h PHE 125 Ca 0.07 -0.15 -0.04 0.00 2.80 0.00 0.00 57.97 60.66 2k9a h PHE 125 Cb 0.13 -0.30 -0.01 0.00 2.20 0.00 0.00 35.95 37.97 2k9a h PHE 125 CO -0.02 0.92 -0.13 -0.07 -0.60 0.00 0.00 178.31 178.41 2k9a h LEU 126 N 0.92 0.11 -0.06 1.54 4.07 -1.20 -0.62 115.31 120.08 2k9a h LEU 126 Ca 0.19 -0.02 -0.04 0.00 0.08 0.00 0.00 57.88 58.09 2k9a h LEU 126 Cb 0.42 -0.03 0.00 0.00 1.08 0.00 0.00 40.66 42.13 2k9a h LEU 126 CO 0.01 0.26 -0.11 -0.78 -1.08 0.00 0.00 178.44 176.74 2k9a h ASP 127 N 0.12 0.20 -0.49 -0.43 3.58 -0.87 -1.04 116.42 117.48 2k9a h ASP 127 Ca 0.02 -0.56 -0.06 0.00 0.42 0.00 0.00 57.03 56.86 2k9a h ASP 127 Cb 0.30 -0.06 -0.02 0.00 1.72 0.00 0.00 39.33 41.27 2k9a h ASP 127 CO 0.02 0.72 0.12 0.22 -2.88 0.00 0.00 179.24 177.44 2k9a h TYR 128 N -0.32 0.88 -0.25 0.28 3.20 -1.20 -2.39 116.97 117.18 2k9a h TYR 128 Ca 0.00 -0.09 -0.11 0.00 3.14 0.00 0.00 58.73 61.68 2k9a h TYR 128 Cb 0.69 -0.26 -0.00 0.00 1.54 0.00 0.00 36.73 38.70 2k9a h TYR 128 CO 0.11 0.75 -0.26 -0.09 -1.64 0.00 0.00 178.16 177.03 2k9a h ARG 129 N 0.82 0.61 -0.37 1.82 2.43 -1.13 -3.08 114.38 115.47 2k9a h ARG 129 Ca 0.18 -0.33 0.01 0.00 -0.81 0.00 0.00 59.98 59.02 2k9a h ARG 129 Cb 0.32 0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 29.87 2k9a h ARG 129 CO 0.00 0.93 0.25 0.00 -1.51 0.00 0.00 179.97 179.64 2k9a h ALA 130 N 0.67 1.74 0.00 2.80 0.00 -1.00 -0.98 119.26 122.50 2k9a h ALA 130 Ca 0.04 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 2k9a h ALA 130 Cb 0.83 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.47 2k9a h ALA 130 CO 0.06 0.24 -0.11 1.49 0.00 0.00 0.00 179.25 180.93 2k9a h GLU 131 N 0.50 0.00 0.00 0.00 4.57 -1.34 -1.76 114.58 116.54 2k9a h GLU 131 Ca 0.14 0.00 -0.07 0.00 -1.18 0.00 0.00 59.36 58.25 2k9a h GLU 131 Cb -0.05 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 28.53 2k9a h GLU 131 CO -0.03 0.11 -0.33 0.87 -1.18 0.00 0.00 179.01 178.45 2k9a h LYS 132 N 0.00 0.00 -0.01 1.92 1.79 -1.20 -1.85 116.57 117.22 2k9a h LYS 132 Ca -0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 2k9a h LYS 132 Cb 0.28 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.93 2k9a h LYS 132 CO 0.01 0.33 -0.03 0.39 -1.08 0.00 0.00 179.45 179.07 2k9a n GLU 133 N -3.93 1.32 -0.03 3.15 1.02 -0.67 -4.08 120.64 117.41 2k9a n GLU 133 Ca -0.02 -0.60 -0.11 0.00 -0.02 0.00 0.00 57.16 56.41 2k9a n GLU 133 Cb 0.39 -1.49 -0.10 0.00 -0.02 0.00 0.00 31.44 30.23 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 4.91 -0.05 -4.80 0.62 0.00 -1.29 -3.45 103.07 99.02 2k9a h GLY 134 Ca 0.00 0.02 -0.59 0.00 0.00 0.00 0.00 47.33 46.75 2k9a h GLY 134 CO 0.00 -0.02 -0.16 0.50 0.00 0.00 0.00 176.54 176.87 2k9a s ARG 135 N -2.68 3.98 0.00 4.80 0.52 -1.25 -5.15 118.95 119.17 2k9a s ARG 135 Ca -0.15 0.48 0.00 0.00 -0.52 0.00 0.00 55.73 55.54 2k9a s ARG 135 Cb -0.01 -3.18 0.00 0.00 0.52 0.00 0.00 34.95 32.28 2k9a s ARG 135 CO 0.55 0.65 0.00 0.41 0.02 0.00 0.00 175.30 176.93