#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 0.00 -1.05 7.83 2.03 -1.26 -5.16 116.55 118.94 2k9a n ASP 2 Ca 0.00 0.00 0.06 0.00 0.52 0.00 0.00 54.79 55.37 2k9a n ASP 2 Cb 0.00 0.00 -0.01 0.00 -0.72 0.00 0.00 41.12 40.39 2k9a n ASP 2 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2k9a n ALA 3 N -0.31 -1.16 0.24 -1.67 0.00 -1.26 -4.23 120.51 112.11 2k9a n ALA 3 Ca 0.00 0.13 0.12 0.00 0.00 0.00 0.00 53.44 53.69 2k9a n ALA 3 Cb 0.00 -0.39 0.08 0.00 0.00 0.00 0.00 19.45 19.13 2k9a n ALA 3 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 2k9a h LEU 4 N 0.00 0.00 -9.30 0.00 4.07 -2.09 -3.46 115.31 104.53 2k9a h LEU 4 Ca 0.01 -0.05 -0.66 0.00 0.08 0.00 0.00 57.88 57.26 2k9a h LEU 4 Cb 0.39 0.00 -0.15 0.00 1.08 0.00 0.00 40.66 41.98 2k9a h LEU 4 CO 0.00 0.02 -0.72 -1.61 -1.08 0.00 0.00 178.44 175.06 2k9a s GLU 5 N -3.29 2.25 0.42 1.13 0.41 -1.26 -5.12 118.70 113.24 2k9a s GLU 5 Ca 0.03 -0.96 -0.12 0.00 -0.41 0.00 0.00 54.97 53.51 2k9a s GLU 5 Cb 0.10 -2.37 -0.07 0.00 -1.78 0.00 0.00 34.13 30.01 2k9a s GLU 5 CO 0.75 0.52 0.80 0.20 -0.49 0.00 0.00 175.26 177.05 2k9a s GLY 6 N -2.16 1.99 -0.09 -1.39 0.00 -1.26 -4.98 107.32 99.43 2k9a s GLY 6 Ca 0.22 -0.12 -0.18 0.00 0.00 0.00 0.00 44.72 44.63 2k9a s GLY 6 CO 0.14 0.09 0.50 -0.54 0.00 0.00 0.00 173.10 173.29 2k9a s GLU 7 N -3.83 4.31 0.48 2.90 2.02 -1.26 -4.91 118.70 118.41 2k9a s GLU 7 Ca 0.53 0.51 0.00 0.00 0.02 0.00 0.00 54.97 56.02 2k9a s GLU 7 Cb -0.10 -3.41 0.00 0.00 0.10 0.00 0.00 34.13 30.72 2k9a s GLU 7 CO 0.30 0.22 0.00 0.45 0.02 0.00 0.00 175.26 176.25 2k9a n SER 8 N 3.43 -6.51 -3.99 -0.19 2.88 -1.26 -5.03 113.62 102.95 2k9a n SER 8 Ca -0.07 1.37 -0.13 0.00 -1.33 0.00 0.00 58.87 58.71 2k9a n SER 8 Cb 0.52 -3.85 -0.13 0.00 -0.75 0.00 0.00 64.21 60.00 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 -4.75 0.45 0.19 0.66 0.08 -1.26 -5.16 117.98 108.19 2k9a s PHE 9 Ca 0.00 -0.30 0.05 0.00 0.12 0.00 0.00 56.93 56.80 2k9a s PHE 9 Cb 0.00 -0.28 -0.03 0.00 -0.57 0.00 0.00 43.02 42.13 2k9a s PHE 9 CO 0.00 -0.06 0.24 0.00 -0.10 0.00 0.00 175.22 175.30 2k9a s ALA 10 N -0.77 3.77 0.32 5.36 0.00 -1.26 -5.08 121.76 124.09 2k9a s ALA 10 Ca -0.05 -1.21 -0.29 0.00 0.00 0.00 0.00 51.96 50.41 2k9a s ALA 10 Cb -0.06 -1.55 -0.10 0.00 0.00 0.00 0.00 23.12 21.41 2k9a s ALA 10 CO -0.00 0.41 1.23 -0.48 0.00 0.00 0.00 175.76 176.92 2k9a s LEU 11 N -3.48 4.46 0.00 0.00 2.34 -1.26 -4.83 118.68 115.91 2k9a s LEU 11 Ca 0.33 2.54 0.00 0.00 0.06 0.00 0.00 54.13 57.06 2k9a s LEU 11 Cb -0.10 -3.66 0.00 0.00 -0.56 0.00 0.00 46.19 41.88 2k9a s LEU 11 CO 0.26 -0.41 0.00 -0.24 -1.06 0.00 0.00 176.35 174.91 2k9a n SER 12 N 0.90 0.00 0.00 1.48 2.88 -1.26 -5.04 113.62 112.59 2k9a n SER 12 Ca -0.00 -0.30 0.00 0.00 -1.33 0.00 0.00 58.87 57.24 2k9a n SER 12 Cb 0.43 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.89 2k9a n SER 12 CO 0.00 0.00 0.00 0.49 -1.23 0.00 0.00 175.04 174.30 2k9a n PHE 13 N 0.00 0.00 -3.16 0.66 3.01 -1.26 -5.11 117.46 111.60 2k9a n PHE 13 Ca 0.00 0.00 -0.05 0.00 1.01 0.00 0.00 57.45 58.41 2k9a n PHE 13 Cb 0.08 0.00 0.01 0.00 -0.01 0.00 0.00 39.48 39.56 2k9a n PHE 13 CO 0.00 0.00 0.00 -1.13 1.01 0.00 0.00 176.76 176.64 2k9a n SER 14 N -1.96 0.71 0.00 4.37 3.41 -1.26 -5.07 113.62 113.82 2k9a n SER 14 Ca 0.00 -1.36 0.00 0.00 -0.26 0.00 0.00 58.87 57.25 2k9a n SER 14 Cb 0.00 -0.07 0.00 0.00 -0.26 0.00 0.00 64.21 63.88 2k9a n SER 14 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 2k9a n SER 15 N -2.62 0.00 0.24 4.04 2.88 -1.26 -4.69 113.62 112.21 2k9a n SER 15 Ca 0.03 0.00 0.11 0.00 -1.33 0.00 0.00 58.87 57.68 2k9a n SER 15 Cb 0.13 0.00 0.61 0.00 -0.75 0.00 0.00 64.21 64.20 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 0.00 1.17 -0.01 -1.46 0.00 -1.97 -1.52 119.26 115.47 2k9a h ALA 16 Ca 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.75 2k9a h ALA 16 Cb 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.76 2k9a h ALA 16 CO 0.00 0.22 -0.51 -1.13 0.00 0.00 0.00 179.25 177.83 2k9a n SER 17 N -3.54 1.28 -3.09 0.00 3.41 -1.26 -4.68 113.62 105.74 2k9a n SER 17 Ca -0.01 -1.14 -0.10 0.00 -0.26 0.00 0.00 58.87 57.36 2k9a n SER 17 Cb 0.32 0.69 0.05 0.00 -0.26 0.00 0.00 64.21 65.01 2k9a n SER 17 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 2k9a n ASP 18 N -0.64 0.60 0.26 4.04 9.92 -1.02 -4.98 116.55 124.73 2k9a n ASP 18 Ca 0.05 -1.50 0.13 0.00 -0.53 0.00 0.00 54.79 52.94 2k9a n ASP 18 Cb 0.31 -0.27 0.66 0.00 -0.64 0.00 0.00 41.12 41.18 2k9a n ASP 18 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2k9a h ALA 19 N -0.44 1.14 -0.63 2.24 0.00 -1.94 -3.01 119.26 116.62 2k9a h ALA 19 Ca -0.14 -0.12 0.05 0.00 0.00 0.00 0.00 54.91 54.70 2k9a h ALA 19 Cb 0.52 -0.02 -0.05 0.00 0.00 0.00 0.00 17.79 18.24 2k9a h ALA 19 CO 0.15 0.17 0.34 1.49 0.00 0.00 0.00 179.25 181.40 2k9a h GLU 20 N 0.00 0.62 0.22 0.00 4.81 -1.94 0.78 114.58 119.07 2k9a h GLU 20 Ca -0.00 -0.04 -0.00 0.00 -0.13 0.00 0.00 59.36 59.19 2k9a h GLU 20 Cb 0.48 -0.14 -0.01 0.00 0.63 0.00 0.00 28.75 29.71 2k9a h GLU 20 CO 0.02 0.41 -0.16 0.35 -0.73 0.00 0.00 179.01 178.90 2k9a h PHE 21 N 0.64 -0.42 0.00 0.92 3.04 -1.14 -1.92 116.94 118.06 2k9a h PHE 21 Ca 0.28 -0.00 -0.01 0.00 3.98 0.00 0.00 57.97 62.22 2k9a h PHE 21 Cb 0.17 0.16 -0.00 0.00 2.56 0.00 0.00 35.95 38.84 2k9a h PHE 21 CO -0.08 -0.25 -0.04 0.22 -2.02 0.00 0.00 178.31 176.14 2k9a h ASP 22 N -0.39 0.00 0.06 0.41 1.82 -1.58 -2.54 116.42 114.20 2k9a h ASP 22 Ca -0.01 0.00 -0.00 0.00 -0.39 0.00 0.00 57.03 56.62 2k9a h ASP 22 Cb 0.34 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.35 2k9a h ASP 22 CO -0.00 0.04 -0.03 0.00 -1.61 0.00 0.00 179.24 177.64 2k9a h ALA 23 N 1.96 -0.07 -0.37 -0.78 0.00 -0.11 -2.29 119.26 117.60 2k9a h ALA 23 Ca -0.00 -0.12 0.03 0.00 0.00 0.00 0.00 54.91 54.82 2k9a h ALA 23 Cb 0.07 0.03 -0.03 0.00 0.00 0.00 0.00 17.79 17.86 2k9a h ALA 23 CO 0.01 -0.43 0.18 0.28 0.00 0.00 0.00 179.25 179.29 2k9a h VAL 24 N -0.31 0.97 -0.82 0.00 2.07 -0.99 -2.24 116.25 114.93 2k9a h VAL 24 Ca -0.01 -0.13 0.10 0.00 0.82 0.00 0.00 66.70 67.49 2k9a h VAL 24 Cb 0.27 0.57 -0.07 0.00 -1.52 0.00 0.00 31.29 30.54 2k9a h VAL 24 CO 0.01 0.07 0.47 0.58 0.02 0.00 0.00 177.57 178.72 2k9a h VAL 25 N 0.37 0.89 -0.72 2.57 2.07 -1.43 -0.65 116.25 119.35 2k9a h VAL 25 Ca 0.16 -0.27 -0.01 0.00 0.82 0.00 0.00 66.70 67.40 2k9a h VAL 25 Cb 0.08 0.05 -0.03 0.00 -1.52 0.00 0.00 31.29 29.86 2k9a h VAL 25 CO -0.12 0.14 0.39 1.23 0.02 0.00 0.00 177.57 179.24 2k9a h GLY 26 N 0.77 1.08 1.70 2.17 0.00 -0.84 -1.71 103.07 106.24 2k9a h GLY 26 Ca 0.40 -0.49 -0.10 0.00 0.00 0.00 0.00 47.33 47.14 2k9a h GLY 26 CO -0.26 0.47 -0.32 -0.97 0.00 0.00 0.00 176.54 175.46 2k9a h TYR 27 N 0.99 0.39 -0.26 5.60 0.05 -0.87 -2.66 116.97 120.22 2k9a h TYR 27 Ca 0.25 -0.09 -0.04 0.00 0.05 0.00 0.00 58.73 58.90 2k9a h TYR 27 Cb 0.04 -0.09 -0.01 0.00 1.01 0.00 0.00 36.73 37.68 2k9a h TYR 27 CO -0.00 0.63 0.01 -0.07 -1.05 0.00 0.00 178.16 177.68 2k9a h LEU 28 N 0.30 0.44 -0.85 3.88 3.38 -0.66 -2.78 115.31 119.01 2k9a h LEU 28 Ca 0.04 -0.30 0.01 0.00 0.09 0.00 0.00 57.88 57.72 2k9a h LEU 28 Cb 0.72 -0.12 -0.04 0.00 0.09 0.00 0.00 40.66 41.31 2k9a h LEU 28 CO 0.05 0.64 0.56 -0.33 0.09 0.00 0.00 178.44 179.45 2k9a h GLU 29 N 0.24 1.12 -0.28 1.13 5.08 -1.22 -0.90 114.58 119.75 2k9a h GLU 29 Ca 0.07 -0.07 0.01 0.00 -1.00 0.00 0.00 59.36 58.38 2k9a h GLU 29 Cb 0.40 -0.25 -0.01 0.00 0.50 0.00 0.00 28.75 29.39 2k9a h GLU 29 CO 0.01 0.74 0.19 0.22 -1.00 0.00 0.00 179.01 179.17 2k9a h ASP 30 N 1.15 0.28 0.20 1.42 3.58 -1.36 -1.13 116.42 120.55 2k9a h ASP 30 Ca 0.31 -0.01 -0.30 0.00 0.42 0.00 0.00 57.03 57.46 2k9a h ASP 30 Cb -0.13 -0.07 0.03 0.00 1.72 0.00 0.00 39.33 40.88 2k9a h ASP 30 CO -0.07 0.20 -1.24 0.40 -2.88 0.00 0.00 179.24 175.65 2k9a h ILE 31 N 0.33 1.31 -0.17 2.25 2.04 -1.02 -3.14 117.51 119.11 2k9a h ILE 31 Ca 0.11 -2.53 -0.06 0.00 1.00 0.00 0.00 64.86 63.38 2k9a h ILE 31 Cb 0.03 2.72 -0.01 0.00 -0.74 0.00 0.00 36.82 38.82 2k9a h ILE 31 CO -0.02 0.76 -0.16 0.40 0.00 0.00 0.00 178.15 179.13 2k9a h ILE 32 N 0.25 1.20 -0.43 -0.67 2.04 -0.57 -2.10 117.51 117.22 2k9a h ILE 32 Ca -0.18 -0.90 0.00 0.00 1.00 0.00 0.00 64.86 64.77 2k9a h ILE 32 Cb 1.92 1.25 0.00 0.00 -0.74 0.00 0.00 36.82 39.25 2k9a h ILE 32 CO 0.23 0.28 0.00 0.23 0.00 0.00 0.00 178.15 178.90 2k9a n MET 33 N -4.23 3.87 -3.06 2.37 2.81 -0.49 -4.75 117.12 113.65 2k9a n MET 33 Ca -0.01 -2.34 -0.39 0.00 -1.81 0.00 0.00 57.70 53.15 2k9a n MET 33 Cb 0.30 -2.06 -0.06 0.00 -0.71 0.00 0.00 33.22 30.69 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 -0.59 7.27 0.12 7.83 2.15 -0.79 -4.99 116.67 127.67 2k9a s ASP 34 Ca 0.41 1.50 -0.22 0.00 0.43 0.00 0.00 52.55 54.67 2k9a s ASP 34 Cb 0.31 -2.46 -0.04 0.00 -0.30 0.00 0.00 42.92 40.43 2k9a s ASP 34 CO 0.12 0.19 1.69 -0.78 -0.17 0.00 0.00 175.17 176.22 2k9a h ASP 35 N 4.67 -0.30 -0.00 -0.34 3.58 -1.91 -1.12 116.42 121.00 2k9a h ASP 35 Ca -0.47 0.06 0.00 0.00 0.42 0.00 0.00 57.03 57.04 2k9a h ASP 35 Cb 1.21 0.15 -0.00 0.00 1.72 0.00 0.00 39.33 42.41 2k9a h ASP 35 CO 0.66 -0.13 0.00 -0.08 -2.88 0.00 0.00 179.24 176.82 2k9a h GLU 36 N -0.11 0.00 -0.03 0.28 4.81 -1.94 -1.30 114.58 116.28 2k9a h GLU 36 Ca 0.08 0.00 -0.18 0.00 -0.13 0.00 0.00 59.36 59.13 2k9a h GLU 36 Cb 0.22 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.59 2k9a h GLU 36 CO -0.18 0.00 -0.78 0.35 -0.73 0.00 0.00 179.01 177.67 2k9a h PHE 37 N 0.00 0.37 -0.13 0.92 3.57 -1.51 -1.88 116.94 118.28 2k9a h PHE 37 Ca 0.00 -0.18 -0.04 0.00 3.53 0.00 0.00 57.97 61.29 2k9a h PHE 37 Cb 0.01 -0.05 -0.00 0.00 2.79 0.00 0.00 35.95 38.69 2k9a h PHE 37 CO 0.00 0.94 -0.06 1.96 -2.23 0.00 0.00 178.31 178.91 2k9a h GLN 38 N 0.17 0.27 -0.31 1.11 1.08 -0.37 -1.38 115.11 115.67 2k9a h GLN 38 Ca -0.03 -0.12 -0.10 0.00 -1.45 0.00 0.00 58.65 56.95 2k9a h GLN 38 Cb 1.36 -0.01 -0.01 0.00 -0.05 0.00 0.00 27.48 28.77 2k9a h GLN 38 CO 0.12 0.60 -0.20 1.25 -0.95 0.00 0.00 178.83 179.65 2k9a h LEU 39 N -0.08 0.72 0.21 1.46 6.46 -1.54 -2.40 115.31 120.15 2k9a h LEU 39 Ca 0.03 -0.43 -0.01 0.00 -0.12 0.00 0.00 57.88 57.35 2k9a h LEU 39 Cb 0.52 -0.20 0.00 0.00 -0.73 0.00 0.00 40.66 40.26 2k9a h LEU 39 CO 0.02 1.00 -0.10 0.25 -0.62 0.00 0.00 178.44 178.98 2k9a h LEU 40 N 0.45 -0.24 0.15 2.25 6.46 -1.37 0.57 115.31 123.58 2k9a h LEU 40 Ca 0.06 -0.02 0.01 0.00 -0.12 0.00 0.00 57.88 57.81 2k9a h LEU 40 Cb 0.75 0.06 -0.02 0.00 -0.73 0.00 0.00 40.66 40.72 2k9a h LEU 40 CO 0.06 -0.13 -0.21 -0.61 -0.62 0.00 0.00 178.44 176.92 2k9a h GLN 41 N -0.32 -0.40 -0.24 1.25 4.15 -1.29 -2.28 115.11 115.97 2k9a h GLN 41 Ca -0.03 0.03 -0.03 0.00 0.77 0.00 0.00 58.65 59.39 2k9a h GLN 41 Cb 0.25 0.09 -0.01 0.00 0.21 0.00 0.00 27.48 28.02 2k9a h GLN 41 CO 0.05 -0.27 0.04 -0.09 -1.93 0.00 0.00 178.83 176.62 2k9a h ARG 42 N -0.42 0.34 -0.19 1.69 1.12 -1.40 -0.73 114.38 114.79 2k9a h ARG 42 Ca 0.02 -0.05 0.01 0.00 -1.11 0.00 0.00 59.98 58.85 2k9a h ARG 42 Cb 0.42 -0.06 -0.02 0.00 -0.01 0.00 0.00 29.97 30.31 2k9a h ARG 42 CO -0.09 0.34 0.09 -0.97 -3.11 0.00 0.00 179.97 176.23 2k9a h ASN 43 N 0.34 0.14 0.45 -3.80 -0.73 -0.32 -1.67 115.58 110.00 2k9a h ASN 43 Ca 0.08 0.01 -0.25 0.00 1.87 0.00 0.00 56.30 58.01 2k9a h ASN 43 Cb 0.17 -0.02 0.01 0.00 0.27 0.00 0.00 38.32 38.75 2k9a h ASN 43 CO -0.00 0.11 -1.10 -0.26 -0.37 0.00 0.00 177.43 175.81 2k9a h PHE 44 N 0.20 0.59 0.00 0.67 -1.00 -1.22 -3.22 116.94 112.97 2k9a h PHE 44 Ca 0.08 -0.37 -0.01 0.00 2.81 0.00 0.00 57.97 60.47 2k9a h PHE 44 Cb 0.02 -0.05 -0.00 0.00 3.61 0.00 0.00 35.95 39.53 2k9a h PHE 44 CO -0.09 1.23 -0.06 0.52 -1.61 0.00 0.00 178.31 178.30 2k9a h MET 45 N 0.16 0.00 -0.09 1.51 2.86 -0.99 -0.65 114.93 117.73 2k9a h MET 45 Ca -0.11 0.00 -0.05 0.00 -2.06 0.00 0.00 59.70 57.48 2k9a h MET 45 Cb 1.78 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 33.43 2k9a h MET 45 CO 0.19 0.06 -0.17 0.22 1.06 0.00 0.00 176.91 178.27 2k9a h ASP 46 N 0.00 0.13 0.02 1.22 3.58 -1.31 -2.04 116.42 118.02 2k9a h ASP 46 Ca -0.00 -0.03 -0.38 0.00 0.42 0.00 0.00 57.03 57.04 2k9a h ASP 46 Cb 0.18 -0.03 -0.05 0.00 1.72 0.00 0.00 39.33 41.14 2k9a h ASP 46 CO 0.01 0.32 -2.17 1.17 -2.88 0.00 0.00 179.24 175.69 2k9a n LYS 47 N -4.27 0.63 -0.17 0.28 3.00 -0.72 -4.26 118.16 112.66 2k9a n LYS 47 Ca -0.01 0.30 -0.02 0.00 -0.00 0.00 0.00 58.31 58.57 2k9a n LYS 47 Cb 0.28 -1.59 0.08 0.00 0.00 0.00 0.00 35.03 33.79 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 -0.54 0.23 0.00 5.64 -1.99 -1.18 0.31 116.97 119.44 2k9a h TYR 48 Ca -0.55 0.03 0.00 0.00 2.00 0.00 0.00 58.73 60.21 2k9a h TYR 48 Cb 1.70 -0.03 0.00 0.00 2.00 0.00 0.00 36.73 40.41 2k9a h TYR 48 CO 0.01 0.03 0.00 0.10 -0.00 0.00 0.00 178.16 178.30 2k9a h TYR 49 N 0.29 0.00 0.18 4.88 -0.00 -1.59 -2.40 116.97 118.34 2k9a h TYR 49 Ca 0.26 0.00 -0.26 0.00 -0.00 0.00 0.00 58.73 58.73 2k9a h TYR 49 Cb 0.34 0.00 0.02 0.00 -0.00 0.00 0.00 36.73 37.09 2k9a h TYR 49 CO -0.20 0.00 -1.17 -0.07 -0.00 0.00 0.00 178.16 176.72 2k9a h LEU 50 N 0.00 0.60 -0.50 0.10 3.38 -1.12 -3.34 115.31 114.43 2k9a h LEU 50 Ca 0.00 -0.93 -0.07 0.00 0.09 0.00 0.00 57.88 56.97 2k9a h LEU 50 Cb 0.18 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.72 2k9a h LEU 50 CO 0.00 1.55 0.05 -0.33 0.09 0.00 0.00 178.44 179.80 2k9a h GLU 51 N -0.16 0.85 -5.84 1.13 4.39 -1.03 -3.37 114.58 110.55 2k9a h GLU 51 Ca -0.21 -0.24 -0.41 0.00 0.34 0.00 0.00 59.36 58.83 2k9a h GLU 51 Cb 1.87 -0.09 -0.07 0.00 -0.10 0.00 0.00 28.75 30.36 2k9a h GLU 51 CO 0.19 0.86 1.06 -0.06 -1.16 0.00 0.00 179.01 179.90 2k9a s PHE 52 N -5.12 2.09 -0.04 4.33 0.40 -0.96 -4.95 117.98 113.73 2k9a s PHE 52 Ca -0.13 0.05 -0.02 0.00 -0.60 0.00 0.00 56.93 56.23 2k9a s PHE 52 Cb 0.12 -4.29 -0.04 0.00 0.51 0.00 0.00 43.02 39.32 2k9a s PHE 52 CO 0.81 -1.78 0.08 -2.00 0.70 0.00 0.00 175.22 173.03 2k9a s GLU 53 N 6.19 3.13 -0.63 0.44 2.12 -1.26 -4.87 118.70 123.83 2k9a s GLU 53 Ca 0.61 -0.41 -0.26 0.00 0.36 0.00 0.00 54.97 55.28 2k9a s GLU 53 Cb -0.04 -2.91 -0.06 0.00 0.26 0.00 0.00 34.13 31.38 2k9a s GLU 53 CO -0.03 0.68 2.13 0.34 -0.54 0.00 0.00 175.26 177.85 2k9a s ASP 54 N -1.49 4.78 0.16 -1.70 -1.08 -1.26 -4.90 116.67 111.18 2k9a s ASP 54 Ca 0.20 0.44 -0.01 0.00 -0.52 0.00 0.00 52.55 52.66 2k9a s ASP 54 Cb -0.12 -2.53 -0.04 0.00 -1.46 0.00 0.00 42.92 38.78 2k9a s ASP 54 CO 0.11 -2.79 0.09 0.42 0.52 0.00 0.00 175.17 173.51 2k9a s THR 55 N 11.03 0.06 -0.14 1.71 -4.23 -1.26 -5.06 115.64 117.76 2k9a s THR 55 Ca 0.81 -1.95 0.19 0.00 -1.18 0.00 0.00 61.69 59.57 2k9a s THR 55 Cb -0.13 -2.24 -0.16 0.00 1.34 0.00 0.00 72.50 71.31 2k9a s THR 55 CO 0.18 -0.27 0.72 -0.62 -0.54 0.00 0.00 174.62 174.09 2k9a n GLU 56 N -0.17 0.63 -3.34 3.99 -0.58 -1.26 -4.93 120.64 114.98 2k9a n GLU 56 Ca -0.02 0.09 -0.27 0.00 -0.42 0.00 0.00 57.16 56.53 2k9a n GLU 56 Cb 0.65 -1.72 -0.02 0.00 -0.57 0.00 0.00 31.44 29.77 2k9a n GLU 56 CO 0.00 0.00 0.00 -1.21 -0.48 0.00 0.00 177.13 175.44 2k9a s GLU 57 N -3.10 3.57 -0.07 3.49 0.41 -1.26 -5.10 118.70 116.64 2k9a s GLU 57 Ca -0.04 -0.12 0.03 0.00 -0.41 0.00 0.00 54.97 54.43 2k9a s GLU 57 Cb 0.10 -2.65 -0.02 0.00 -1.78 0.00 0.00 34.13 29.77 2k9a s GLU 57 CO 0.83 0.19 -0.16 1.21 -0.49 0.00 0.00 175.26 176.83 2k9a s ASN 58 N -3.49 3.82 0.31 -0.19 2.47 -1.26 -5.12 114.94 111.48 2k9a s ASN 58 Ca 0.42 -0.29 0.07 0.00 0.42 0.00 0.00 52.86 53.48 2k9a s ASN 58 Cb -0.10 -1.00 -0.03 0.00 -1.45 0.00 0.00 41.25 38.67 2k9a s ASN 58 CO 0.33 0.28 0.31 -0.54 -3.72 0.00 0.00 177.10 173.76 2k9a s LYS 59 N -0.37 2.88 0.25 0.43 -0.14 -1.26 -5.02 119.74 116.51 2k9a s LYS 59 Ca 0.04 -1.16 0.25 0.00 -1.36 0.00 0.00 55.97 53.74 2k9a s LYS 59 Cb -0.12 -2.58 0.70 0.00 -1.68 0.00 0.00 37.83 34.15 2k9a s LYS 59 CO 0.02 0.17 1.73 1.25 -0.76 0.00 0.00 175.35 177.76 2k9a h LEU 60 N 1.23 0.00 -1.66 3.17 5.85 -2.04 -3.21 115.31 118.65 2k9a h LEU 60 Ca -0.46 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.25 2k9a h LEU 60 Cb 1.25 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.28 2k9a h LEU 60 CO 0.58 0.00 0.00 -0.29 -0.34 0.00 0.00 178.44 178.39 2k9a h ILE 61 N 0.00 0.00 0.00 4.05 6.09 -2.03 -1.59 117.51 124.04 2k9a h ILE 61 Ca 0.00 -0.14 -0.01 0.00 -1.37 0.00 0.00 64.86 63.34 2k9a h ILE 61 Cb 0.79 0.90 -0.00 0.00 0.47 0.00 0.00 36.82 38.98 2k9a h ILE 61 CO 0.00 0.00 -0.05 1.88 -3.07 0.00 0.00 178.15 176.91 2k9a h TYR 62 N 0.00 0.00 0.12 2.19 -1.99 -1.99 -2.84 116.97 112.47 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 0.18 0.00 0.00 0.00 2.00 0.00 0.00 36.73 38.91 2k9a h TYR 62 CO 0.00 0.05 -0.06 1.15 -0.00 0.00 0.00 178.16 179.30 2k9a h THR 63 N 0.00 1.05 -0.46 -2.88 2.02 -1.54 -2.61 112.91 108.49 2k9a h THR 63 Ca -0.00 -1.15 -0.10 0.00 0.77 0.00 0.00 66.41 65.94 2k9a h THR 63 Cb 0.59 1.72 -0.01 0.00 -1.74 0.00 0.00 68.15 68.71 2k9a h THR 63 CO 0.01 0.25 -0.09 1.55 0.37 0.00 0.00 175.52 177.61 2k9a h PRO 64 N -0.74 0.88 -0.25 6.66 0.13 -1.71 -2.51 132.00 134.45 2k9a h PRO 64 Ca -0.02 -0.33 0.01 0.00 -0.87 0.00 0.00 66.00 64.80 2k9a h PRO 64 Cb 0.54 -0.05 -0.02 0.00 0.13 0.00 0.00 31.00 31.60 2k9a h PRO 64 CO 0.03 0.97 0.12 0.82 -0.23 0.00 0.00 178.00 179.71 2k9a h ILE 65 N 0.72 1.00 -0.60 -3.56 2.04 -1.62 -1.08 117.51 114.42 2k9a h ILE 65 Ca 0.12 -0.09 -0.01 0.00 1.00 0.00 0.00 64.86 65.88 2k9a h ILE 65 Cb 0.63 0.71 -0.03 0.00 -0.74 0.00 0.00 36.82 37.40 2k9a h ILE 65 CO 0.04 0.05 0.34 0.15 0.00 0.00 0.00 178.15 178.73 2k9a h PHE 66 N 0.26 0.82 -0.59 1.37 3.57 -1.45 -2.32 116.94 118.60 2k9a h PHE 66 Ca 0.10 -0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.57 2k9a h PHE 66 Cb 0.02 -0.26 -0.03 0.00 2.79 0.00 0.00 35.95 38.47 2k9a h PHE 66 CO -0.09 0.58 0.29 -0.91 -2.23 0.00 0.00 178.31 175.94 2k9a h ASN 67 N 0.81 0.74 -0.07 0.41 2.35 -1.13 -1.99 115.58 116.71 2k9a h ASN 67 Ca 0.21 -0.07 -0.09 0.00 -0.55 0.00 0.00 56.30 55.81 2k9a h ASN 67 Cb 0.03 -0.19 -0.01 0.00 0.05 0.00 0.00 38.32 38.19 2k9a h ASN 67 CO -0.04 0.63 -0.22 -0.08 -1.65 0.00 0.00 177.43 176.07 2k9a h GLU 68 N 0.82 0.47 -0.30 0.81 4.57 -0.74 -1.39 114.58 118.82 2k9a h GLU 68 Ca 0.21 -0.16 -0.13 0.00 -1.18 0.00 0.00 59.36 58.09 2k9a h GLU 68 Cb 0.08 -0.04 -0.01 0.00 -0.16 0.00 0.00 28.75 28.62 2k9a h GLU 68 CO -0.03 0.66 -0.36 -0.92 -1.18 0.00 0.00 179.01 177.18 2k9a h TYR 69 N 0.42 0.80 0.00 0.92 3.20 -0.86 0.14 116.97 121.59 2k9a h TYR 69 Ca 0.07 -0.22 -0.14 0.00 3.14 0.00 0.00 58.73 61.57 2k9a h TYR 69 Cb 0.61 -0.17 -0.02 0.00 1.54 0.00 0.00 36.73 38.69 2k9a h TYR 69 CO 0.02 0.94 -0.67 0.82 -1.64 0.00 0.00 178.16 177.63 2k9a h ILE 70 N 0.56 1.44 0.00 1.81 1.08 -1.14 -0.39 117.51 120.88 2k9a h ILE 70 Ca 0.05 -2.33 -0.24 0.00 -0.39 0.00 0.00 64.86 61.96 2k9a h ILE 70 Cb 0.88 2.27 -0.04 0.00 -3.07 0.00 0.00 36.82 36.87 2k9a h ILE 70 CO 0.08 0.66 -1.39 -1.28 -0.69 0.00 0.00 178.15 175.52 2k9a h SER 71 N 0.00 0.00 0.00 1.72 0.87 -1.10 -3.04 113.55 112.00 2k9a h SER 71 Ca -0.01 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.55 2k9a h SER 71 Cb 1.22 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.18 2k9a h SER 71 CO 0.09 0.89 -0.39 -0.11 -0.53 0.00 0.00 176.83 176.77 2k9a n LEU 72 N -3.11 1.38 0.13 2.23 -0.00 0.48 -4.16 117.00 113.96 2k9a n LEU 72 Ca -0.10 0.54 -0.06 0.00 -0.00 0.00 0.00 56.01 56.39 2k9a n LEU 72 Cb 0.96 -0.78 -0.03 0.00 -0.00 0.00 0.00 43.42 43.57 2k9a n LEU 72 CO 0.45 -0.48 0.18 0.58 -0.00 0.00 0.00 177.39 178.12 2k9a h VAL 73 N -0.76 0.00 -1.00 1.96 2.07 -1.26 -1.63 116.25 115.63 2k9a h VAL 73 Ca 0.00 -0.59 0.18 0.00 0.82 0.00 0.00 66.70 67.10 2k9a h VAL 73 Cb 0.39 0.00 -0.10 0.00 -1.52 0.00 0.00 31.29 30.06 2k9a h VAL 73 CO 0.00 0.00 0.62 -0.08 0.02 0.00 0.00 177.57 178.13 2k9a h GLU 74 N -1.00 0.76 0.00 1.57 4.81 -1.56 0.21 114.58 119.37 2k9a h GLU 74 Ca -0.04 -0.05 -0.13 0.00 -0.13 0.00 0.00 59.36 59.01 2k9a h GLU 74 Cb 0.32 -0.17 -0.02 0.00 0.63 0.00 0.00 28.75 29.51 2k9a h GLU 74 CO 0.07 0.50 -0.63 0.87 -0.73 0.00 0.00 179.01 179.09 2k9a h LYS 75 N 0.79 0.00 -0.16 1.92 1.79 -1.63 -2.72 116.57 116.55 2k9a h LYS 75 Ca 0.55 0.00 0.03 0.00 -2.18 0.00 0.00 60.65 59.05 2k9a h LYS 75 Cb 0.83 0.00 -0.03 0.00 -1.58 0.00 0.00 32.23 31.46 2k9a h LYS 75 CO -0.34 0.63 -0.00 -0.92 -1.08 0.00 0.00 179.45 177.74 2k9a h TYR 76 N 0.00 -0.01 -0.40 -1.35 5.03 0.44 -0.52 116.97 120.16 2k9a h TYR 76 Ca -0.01 0.01 -0.12 0.00 2.58 0.00 0.00 58.73 61.19 2k9a h TYR 76 Cb 1.21 0.03 -0.01 0.00 1.55 0.00 0.00 36.73 39.51 2k9a h TYR 76 CO 0.00 -0.02 -0.24 0.82 -1.32 0.00 0.00 178.16 177.40 2k9a h ILE 77 N 0.05 1.28 -0.21 1.81 2.04 -1.49 -2.74 117.51 118.26 2k9a h ILE 77 Ca 0.08 -1.39 0.04 0.00 1.00 0.00 0.00 64.86 64.59 2k9a h ILE 77 Cb 0.09 1.31 -0.04 0.00 -0.74 0.00 0.00 36.82 37.44 2k9a h ILE 77 CO -0.13 0.46 -0.08 -0.08 0.00 0.00 0.00 178.15 178.33 2k9a h GLU 78 N 0.67 -0.04 -0.27 2.37 4.57 -1.16 -1.53 114.58 119.20 2k9a h GLU 78 Ca 0.08 0.00 -0.00 0.00 -1.18 0.00 0.00 59.36 58.26 2k9a h GLU 78 Cb 0.81 0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 29.39 2k9a h GLU 78 CO 0.07 -0.03 0.15 0.93 -1.18 0.00 0.00 179.01 178.95 2k9a h GLU 79 N -0.04 0.37 -0.19 1.92 5.08 -1.11 -1.68 114.58 118.93 2k9a h GLU 79 Ca 0.11 -0.04 0.05 0.00 -1.00 0.00 0.00 59.36 58.47 2k9a h GLU 79 Cb 0.20 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.37 2k9a h GLU 79 CO -0.24 0.32 0.14 1.96 -1.00 0.00 0.00 179.01 180.19 2k9a h GLN 80 N 0.32 0.05 0.08 2.33 1.08 -1.18 -1.63 115.11 116.17 2k9a h GLN 80 Ca 0.09 -0.00 -0.28 0.00 -1.45 0.00 0.00 58.65 57.01 2k9a h GLN 80 Cb 0.05 -0.01 0.02 0.00 -0.05 0.00 0.00 27.48 27.49 2k9a h GLN 80 CO -0.02 0.04 -1.17 -0.07 -0.95 0.00 0.00 178.83 176.66 2k9a h LEU 81 N 0.05 0.81 -1.78 1.46 3.38 -0.79 -3.22 115.31 115.23 2k9a h LEU 81 Ca 0.09 -0.72 -0.02 0.00 0.09 0.00 0.00 57.88 57.32 2k9a h LEU 81 Cb 0.29 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 40.78 2k9a h LEU 81 CO -0.01 1.53 -0.11 -0.07 0.09 0.00 0.00 178.44 179.87 2k9a h LEU 82 N 0.28 0.00 -2.47 1.67 3.38 -0.41 -0.71 115.31 117.05 2k9a h LEU 82 Ca -0.16 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.81 2k9a h LEU 82 Cb 1.84 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.59 2k9a h LEU 82 CO 0.22 0.11 0.00 1.56 0.09 0.00 0.00 178.44 180.42 2k9a h GLN 83 N 0.00 0.00 0.00 1.13 4.20 -1.37 -3.05 115.11 116.01 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 0.42 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.20 2k9a h GLN 83 CO 0.01 0.00 -0.85 0.54 -0.67 0.00 0.00 178.83 177.86 2k9a n ARG 84 N -2.87 2.87 -3.75 1.46 1.74 -0.96 -4.94 116.66 110.22 2k9a n ARG 84 Ca -0.02 0.00 -0.30 0.00 -0.77 0.00 0.00 57.85 56.76 2k9a n ARG 84 Cb 0.08 -0.93 -0.13 0.00 -1.02 0.00 0.00 32.46 30.46 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 -1.82 1.59 -1.47 0.55 1.09 -0.31 -4.95 121.20 115.87 2k9a s ILE 85 Ca 0.00 -2.65 0.13 0.00 -1.10 0.00 0.00 60.65 57.04 2k9a s ILE 85 Cb 0.00 -2.11 0.24 0.00 -1.06 0.00 0.00 42.46 39.53 2k9a s ILE 85 CO 0.00 -0.87 1.33 -0.81 -0.10 0.00 0.00 174.94 174.49 2k9a n PRO 86 N 3.51 0.20 -0.29 2.79 -0.04 -1.21 -1.85 135.00 138.12 2k9a n PRO 86 Ca 0.08 0.15 0.07 0.00 -0.04 0.00 0.00 63.50 63.76 2k9a n PRO 86 Cb 0.34 -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 2.64 -2.48 0.54 1.02 -1.26 -5.03 120.64 114.81 2k9a n GLU 87 Ca 0.06 -2.51 -0.36 0.00 -0.02 0.00 0.00 57.16 54.34 2k9a n GLU 87 Cb 0.10 -1.59 -0.03 0.00 -0.02 0.00 0.00 31.44 29.90 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 -2.28 3.06 -0.33 -0.32 5.36 -0.77 -5.04 117.98 117.67 2k9a s PHE 88 Ca 0.33 1.60 0.01 0.00 -0.96 0.00 0.00 56.93 57.90 2k9a s PHE 88 Cb 0.25 -3.15 0.10 0.00 -0.34 0.00 0.00 43.02 39.88 2k9a s PHE 88 CO 0.09 -0.90 0.11 1.21 -1.46 0.00 0.00 175.22 174.26 2k9a s ASN 89 N -1.70 4.14 0.43 6.13 3.84 -1.26 -4.98 114.94 121.54 2k9a s ASN 89 Ca 0.63 -1.88 0.14 0.00 0.21 0.00 0.00 52.86 51.96 2k9a s ASN 89 Cb -0.21 -1.05 0.95 0.00 -0.55 0.00 0.00 41.25 40.39 2k9a s ASN 89 CO 0.26 -0.39 1.97 -0.03 -2.79 0.00 0.00 177.10 176.12 2k9a h MET 90 N 7.80 0.02 0.64 0.43 1.85 -1.98 -1.15 114.93 122.54 2k9a h MET 90 Ca -0.10 -0.00 -0.03 0.00 -0.61 0.00 0.00 59.70 58.96 2k9a h MET 90 Cb 1.00 -0.00 0.01 0.00 0.43 0.00 0.00 31.60 33.04 2k9a h MET 90 CO 0.49 0.22 -0.31 0.00 -0.40 0.00 0.00 176.91 176.90 2k9a h ALA 91 N 1.78 -0.86 0.00 0.39 0.00 -2.00 -2.19 119.26 116.38 2k9a h ALA 91 Ca 0.00 -0.21 -0.08 0.00 0.00 0.00 0.00 54.91 54.62 2k9a h ALA 91 Cb 0.36 0.33 -0.01 0.00 0.00 0.00 0.00 17.79 18.48 2k9a h ALA 91 CO 0.03 -0.88 -0.38 0.00 0.00 0.00 0.00 179.25 178.02 2k9a h ALA 92 N -0.88 1.19 -0.00 0.00 0.00 -1.99 -2.63 119.26 114.96 2k9a h ALA 92 Ca -0.09 -0.34 -0.00 0.00 0.00 0.00 0.00 54.91 54.48 2k9a h ALA 92 Cb 0.70 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.43 2k9a h ALA 92 CO 0.14 0.47 0.00 0.35 0.00 0.00 0.00 179.25 180.22 2k9a h PHE 93 N 0.00 0.00 -0.50 0.00 3.57 -1.17 -2.02 116.94 116.82 2k9a h PHE 93 Ca -0.00 -0.00 -0.09 0.00 3.53 0.00 0.00 57.97 61.40 2k9a h PHE 93 Cb 0.75 -0.00 -0.02 0.00 2.79 0.00 0.00 35.95 39.47 2k9a h PHE 93 CO 0.00 0.16 -0.07 1.79 -2.23 0.00 0.00 178.31 177.96 2k9a h THR 94 N -0.16 1.26 -0.61 4.41 1.35 -1.34 0.21 112.91 118.04 2k9a h THR 94 Ca 0.00 -1.16 0.03 0.00 -0.55 0.00 0.00 66.41 64.74 2k9a h THR 94 Cb 0.16 0.95 -0.04 0.00 -1.73 0.00 0.00 68.15 67.48 2k9a h THR 94 CO -0.00 0.41 0.36 0.74 -0.25 0.00 0.00 175.52 176.78 2k9a h THR 95 N 0.81 1.04 0.00 6.82 2.02 -1.34 -2.09 112.91 120.17 2k9a h THR 95 Ca 0.14 -0.24 -0.17 0.00 0.77 0.00 0.00 66.41 66.91 2k9a h THR 95 Cb 0.58 0.28 -0.02 0.00 -1.74 0.00 0.00 68.15 67.24 2k9a h THR 95 CO 0.04 0.13 -0.82 0.74 0.37 0.00 0.00 175.52 175.97 2k9a h THR 96 N 0.70 1.52 -0.83 3.16 2.02 -1.21 -3.30 112.91 114.97 2k9a h THR 96 Ca 0.25 -2.89 -0.02 0.00 0.77 0.00 0.00 66.41 64.52 2k9a h THR 96 Cb 0.06 2.59 -0.04 0.00 -1.74 0.00 0.00 68.15 69.02 2k9a h THR 96 CO -0.12 0.81 0.42 0.25 0.37 0.00 0.00 175.52 177.25 2k9a h LEU 97 N 0.00 1.06 -1.55 2.58 6.46 -0.31 -2.35 115.31 121.20 2k9a h LEU 97 Ca -0.01 -0.11 0.20 0.00 -0.12 0.00 0.00 57.88 57.85 2k9a h LEU 97 Cb 1.52 -0.27 -0.06 0.00 -0.73 0.00 0.00 40.66 41.12 2k9a h LEU 97 CO 0.11 0.87 0.59 0.06 -0.62 0.00 0.00 178.44 179.45 2k9a h GLN 98 N 1.17 0.36 0.17 1.25 3.07 -1.48 0.26 115.11 119.90 2k9a h GLN 98 Ca 0.29 -0.02 -0.27 0.00 0.09 0.00 0.00 58.65 58.74 2k9a h GLN 98 Cb 0.08 -0.08 0.02 0.00 0.08 0.00 0.00 27.48 27.57 2k9a h GLN 98 CO -0.04 0.24 -1.25 0.45 0.09 0.00 0.00 178.83 178.32 2k9a h HIS 99 N 0.37 0.65 0.00 0.06 3.86 -1.66 -3.24 115.15 115.19 2k9a h HIS 99 Ca 0.46 -0.47 0.00 0.00 -1.16 0.00 0.00 60.37 59.20 2k9a h HIS 99 Cb 1.19 -0.03 0.00 0.00 1.06 0.00 0.00 27.41 29.64 2k9a h HIS 99 CO -0.00 1.48 0.00 0.72 0.86 0.00 0.00 177.93 180.99 2k9a n HIS 100 N -3.91 0.00 0.29 2.45 8.25 -0.33 -2.67 115.22 119.30 2k9a n HIS 100 Ca -0.19 0.00 0.18 0.00 -0.26 0.00 0.00 57.72 57.45 2k9a n HIS 100 Cb 0.94 -0.04 0.88 0.00 1.12 0.00 0.00 29.99 32.89 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 -0.59 0.48 116.57 119.69 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 0.02 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.84 2k9a h LYS 101 CO 0.00 0.00 0.00 -3.47 -2.27 0.00 0.00 179.45 173.71 2k9a n ASP 102 N -2.78 0.00 0.05 4.20 2.03 -1.09 -4.16 116.55 114.80 2k9a n ASP 102 Ca -0.01 -0.09 0.00 0.00 0.52 0.00 0.00 54.79 55.21 2k9a n ASP 102 Cb 0.13 -0.28 0.00 0.00 -0.72 0.00 0.00 41.12 40.25 2k9a n ASP 102 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 2k9a n GLU 103 N -1.28 0.00 -1.56 -0.67 -0.58 0.06 -5.07 120.64 111.55 2k9a n GLU 103 Ca 0.12 0.00 -0.37 0.00 -0.42 0.00 0.00 57.16 56.49 2k9a n GLU 103 Cb 0.19 -0.49 0.06 0.00 -0.57 0.00 0.00 31.44 30.64 2k9a n GLU 103 CO 0.00 0.00 0.00 1.55 -0.48 0.00 0.00 177.13 178.20 2k9a n VAL 104 N -3.50 3.59 -1.51 2.62 3.14 -0.59 -4.78 118.33 117.30 2k9a n VAL 104 Ca 0.00 -0.47 -0.45 0.00 -2.96 0.00 0.00 64.34 60.46 2k9a n VAL 104 Cb 0.00 -1.13 -0.06 0.00 -1.06 0.00 0.00 33.84 31.59 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 -1.98 1.19 0.17 1.55 0.00 -1.26 -4.81 120.51 115.38 2k9a n ALA 105 Ca 0.14 -0.30 0.03 0.00 0.00 0.00 0.00 53.44 53.31 2k9a n ALA 105 Cb 0.48 -2.77 0.39 0.00 0.00 0.00 0.00 19.45 17.55 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 14.53 0.07 0.91 0.00 0.00 -1.86 -2.66 103.07 114.06 2k9a h GLY 106 Ca -0.29 -0.05 0.01 0.00 0.00 0.00 0.00 47.33 47.00 2k9a h GLY 106 CO 1.05 0.05 0.11 -0.55 0.00 0.00 0.00 176.54 177.20 2k9a h ASP 107 N 0.06 0.18 -0.03 0.19 5.19 -1.98 0.29 116.42 120.32 2k9a h ASP 107 Ca 0.01 0.01 -0.01 0.00 -0.62 0.00 0.00 57.03 56.41 2k9a h ASP 107 Cb 0.53 -0.03 -0.00 0.00 0.18 0.00 0.00 39.33 40.01 2k9a h ASP 107 CO 0.04 0.13 -0.03 0.40 -3.12 0.00 0.00 179.24 176.66 2k9a h ILE 108 N 0.24 1.40 0.00 0.35 2.04 -1.94 -3.16 117.51 116.45 2k9a h ILE 108 Ca 0.09 -1.24 -0.03 0.00 1.00 0.00 0.00 64.86 64.68 2k9a h ILE 108 Cb 0.02 2.18 -0.00 0.00 -0.74 0.00 0.00 36.82 38.27 2k9a h ILE 108 CO -0.06 0.33 -0.12 0.15 0.00 0.00 0.00 178.15 178.45 2k9a h PHE 109 N -0.42 0.00 -1.05 1.37 3.57 -1.43 -2.56 116.94 116.43 2k9a h PHE 109 Ca 0.00 0.00 0.28 0.00 3.53 0.00 0.00 57.97 61.78 2k9a h PHE 109 Cb 0.56 0.00 -0.08 0.00 2.79 0.00 0.00 35.95 39.22 2k9a h PHE 109 CO 0.10 0.12 0.70 0.22 -2.23 0.00 0.00 178.31 177.23 2k9a h ASP 110 N 0.00 0.31 -0.17 0.41 1.82 -0.37 0.35 116.42 118.77 2k9a h ASP 110 Ca -0.00 0.06 -0.16 0.00 -0.39 0.00 0.00 57.03 56.53 2k9a h ASP 110 Cb 0.24 0.01 0.00 0.00 0.68 0.00 0.00 39.33 40.26 2k9a h ASP 110 CO 0.02 0.07 -0.53 -0.03 -1.61 0.00 0.00 179.24 177.15 2k9a h MET 111 N 0.28 0.67 0.00 0.28 4.05 -1.60 -3.04 114.93 115.57 2k9a h MET 111 Ca 0.56 -0.49 -0.02 0.00 -0.28 0.00 0.00 59.70 59.48 2k9a h MET 111 Cb 1.65 0.08 -0.00 0.00 -0.80 0.00 0.00 31.60 32.53 2k9a h MET 111 CO -0.20 1.11 -0.08 -0.07 0.23 0.00 0.00 176.91 177.89 2k9a h LEU 112 N 0.35 0.00 -1.87 3.39 3.38 -0.51 -2.78 115.31 117.28 2k9a h LEU 112 Ca -0.02 0.00 0.20 0.00 0.09 0.00 0.00 57.88 58.15 2k9a h LEU 112 Cb 1.15 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.87 2k9a h LEU 112 CO 0.11 0.08 0.64 -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 -0.84 0.53 115.31 120.06 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 0.33 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.08 2k9a h LEU 113 CO 0.01 0.00 0.03 0.35 0.09 0.00 0.00 178.44 178.92 2k9a n THR 114 N -3.83 0.58 0.01 0.22 -2.24 -1.05 -1.47 114.28 106.50 2k9a n THR 114 Ca 0.14 0.17 -0.01 0.00 -2.27 0.00 0.00 64.05 62.09 2k9a n THR 114 Cb 0.89 -1.17 0.28 0.00 -2.10 0.00 0.00 70.33 68.23 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 0.53 0.00 4.78 0.04 -1.16 -3.40 116.94 117.73 2k9a h PHE 115 Ca 0.00 -0.06 0.00 0.00 2.80 0.00 0.00 57.97 60.71 2k9a h PHE 115 Cb 0.05 -0.15 0.00 0.00 2.20 0.00 0.00 35.95 38.05 2k9a h PHE 115 CO 0.00 0.56 -0.01 0.25 -0.60 0.00 0.00 178.31 178.51 2k9a n THR 116 N -4.25 0.00 -1.81 -1.55 -2.24 -0.80 -5.01 114.28 98.62 2k9a n THR 116 Ca 0.01 0.00 -0.21 0.00 -2.27 0.00 0.00 64.05 61.58 2k9a n THR 116 Cb 0.28 -0.01 -0.06 0.00 -2.10 0.00 0.00 70.33 68.44 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 -2.41 4.53 0.43 3.42 2.15 -0.54 -4.77 116.67 119.48 2k9a s ASP 117 Ca 0.00 -0.24 0.09 0.00 0.43 0.00 0.00 52.55 52.83 2k9a s ASP 117 Cb 0.00 -2.55 0.95 0.00 -0.30 0.00 0.00 42.92 41.01 2k9a s ASP 117 CO 0.00 -3.28 2.08 0.15 -0.17 0.00 0.00 175.17 173.95 2k9a h PHE 118 N 12.36 0.41 -0.61 -5.34 3.57 -1.88 -1.74 116.94 123.71 2k9a h PHE 118 Ca 0.03 0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.52 2k9a h PHE 118 Cb 1.02 -0.14 -0.03 0.00 2.79 0.00 0.00 35.95 39.59 2k9a h PHE 118 CO 1.18 0.26 0.31 1.25 -2.23 0.00 0.00 178.31 179.07 2k9a h LEU 119 N 0.44 0.77 -0.31 0.59 5.85 -1.97 -2.24 115.31 118.43 2k9a h LEU 119 Ca 0.12 -0.07 -0.19 0.00 0.84 0.00 0.00 57.88 58.58 2k9a h LEU 119 Cb -0.05 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 40.77 2k9a h LEU 119 CO -0.03 0.64 -0.86 0.00 -0.34 0.00 0.00 178.44 177.86 2k9a h ALA 120 N 1.48 0.56 0.45 1.25 0.00 -1.70 -2.42 119.26 118.88 2k9a h ALA 120 Ca 0.22 -0.73 -0.02 0.00 0.00 0.00 0.00 54.91 54.37 2k9a h ALA 120 Cb 0.07 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.77 2k9a h ALA 120 CO -0.03 0.95 -0.22 0.35 0.00 0.00 0.00 179.25 180.30 2k9a h PHE 121 N 0.07 -0.56 -0.14 0.00 3.57 -0.94 0.87 116.94 119.81 2k9a h PHE 121 Ca -0.03 -0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.43 2k9a h PHE 121 Cb 1.49 0.19 -0.01 0.00 2.79 0.00 0.00 35.95 40.41 2k9a h PHE 121 CO 0.02 -0.31 0.01 -0.22 -2.23 0.00 0.00 178.31 175.58 2k9a h LYS 122 N -0.68 0.24 -0.14 1.11 3.64 -1.54 -2.65 116.57 116.54 2k9a h LYS 122 Ca -0.06 -0.07 0.04 0.00 -1.27 0.00 0.00 60.65 59.29 2k9a h LYS 122 Cb 0.50 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.29 2k9a h LYS 122 CO 0.10 0.46 0.11 1.49 -2.27 0.00 0.00 179.45 179.34 2k9a h GLU 123 N -0.01 0.00 -0.13 1.90 4.57 -1.43 -1.38 114.58 118.10 2k9a h GLU 123 Ca 0.04 0.00 -0.03 0.00 -1.18 0.00 0.00 59.36 58.19 2k9a h GLU 123 Cb 0.34 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 28.93 2k9a h GLU 123 CO 0.01 0.00 -0.03 1.98 -1.18 0.00 0.00 179.01 179.79 2k9a h MET 124 N 0.00 0.24 -0.34 1.92 4.05 -0.48 -1.78 114.93 118.55 2k9a h MET 124 Ca 0.07 -0.09 -0.04 0.00 -0.28 0.00 0.00 59.70 59.36 2k9a h MET 124 Cb 0.28 -0.01 -0.01 0.00 -0.80 0.00 0.00 31.60 31.05 2k9a h MET 124 CO -0.00 0.53 0.06 0.74 0.23 0.00 0.00 176.91 178.47 2k9a h PHE 125 N -0.07 0.59 -0.34 1.39 0.04 -1.12 -1.76 116.94 115.67 2k9a h PHE 125 Ca 0.03 -0.08 0.01 0.00 2.80 0.00 0.00 57.97 60.73 2k9a h PHE 125 Cb 0.44 -0.16 -0.02 0.00 2.20 0.00 0.00 35.95 38.41 2k9a h PHE 125 CO 0.05 0.62 0.23 -0.07 -0.60 0.00 0.00 178.31 178.54 2k9a h LEU 126 N 0.39 0.37 -0.20 1.54 4.07 -1.29 -1.31 115.31 118.88 2k9a h LEU 126 Ca 0.10 -0.01 -0.14 0.00 0.08 0.00 0.00 57.88 57.92 2k9a h LEU 126 Cb 0.34 -0.09 0.00 0.00 1.08 0.00 0.00 40.66 41.99 2k9a h LEU 126 CO 0.01 0.26 -0.41 -0.78 -1.08 0.00 0.00 178.44 176.44 2k9a h ASP 127 N 0.43 0.70 -0.76 -0.43 3.58 -1.01 -2.63 116.42 116.31 2k9a h ASP 127 Ca 0.13 -0.55 -0.02 0.00 0.42 0.00 0.00 57.03 57.01 2k9a h ASP 127 Cb -0.01 -0.20 -0.04 0.00 1.72 0.00 0.00 39.33 40.81 2k9a h ASP 127 CO -0.03 1.12 0.39 0.22 -2.88 0.00 0.00 179.24 178.06 2k9a h TYR 128 N 0.31 1.07 -0.53 0.28 3.20 -0.67 -2.12 116.97 118.51 2k9a h TYR 128 Ca 0.01 -0.04 -0.02 0.00 3.14 0.00 0.00 58.73 61.81 2k9a h TYR 128 Cb 1.01 -0.34 -0.02 0.00 1.54 0.00 0.00 36.73 38.92 2k9a h TYR 128 CO 0.09 0.77 0.24 -0.09 -1.64 0.00 0.00 178.16 177.53 2k9a h ARG 129 N 1.06 0.77 0.00 1.82 2.43 -1.26 -2.11 114.38 117.09 2k9a h ARG 129 Ca 0.26 -0.12 -0.03 0.00 -0.81 0.00 0.00 59.98 59.28 2k9a h ARG 129 Cb 0.08 -0.13 -0.00 0.00 -0.42 0.00 0.00 29.97 29.50 2k9a h ARG 129 CO -0.04 0.65 -0.13 0.00 -1.51 0.00 0.00 179.97 178.95 2k9a h ALA 130 N 1.08 1.69 0.00 2.80 0.00 -1.16 -1.54 119.26 122.13 2k9a h ALA 130 Ca 0.18 -0.11 -0.13 0.00 0.00 0.00 0.00 54.91 54.85 2k9a h ALA 130 Cb 0.15 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 2k9a h ALA 130 CO -0.02 0.16 -0.61 1.49 0.00 0.00 0.00 179.25 180.27 2k9a h GLU 131 N 0.00 0.00 -0.19 0.00 4.81 -0.75 -3.14 114.58 115.31 2k9a h GLU 131 Ca -0.00 0.00 -0.04 0.00 -0.13 0.00 0.00 59.36 59.19 2k9a h GLU 131 Cb 0.24 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.60 2k9a h GLU 131 CO 0.02 0.61 -0.07 0.87 -0.73 0.00 0.00 179.01 179.70 2k9a h LYS 132 N 0.00 0.29 0.00 1.92 1.79 -0.71 -1.16 116.57 118.71 2k9a h LYS 132 Ca -0.01 -0.06 0.00 0.00 -2.18 0.00 0.00 60.65 58.40 2k9a h LYS 132 Cb 1.21 -0.04 0.00 0.00 -1.58 0.00 0.00 32.23 31.82 2k9a h LYS 132 CO 0.08 0.38 0.00 0.39 -1.08 0.00 0.00 179.45 179.22 2k9a n GLU 133 N -4.30 0.08 -1.28 3.15 1.02 -1.18 -3.73 120.64 114.40 2k9a n GLU 133 Ca -0.00 0.15 -0.21 0.00 -0.02 0.00 0.00 57.16 57.07 2k9a n GLU 133 Cb 0.24 -1.50 -0.08 0.00 -0.02 0.00 0.00 31.44 30.08 2k9a n GLU 133 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2k9a n GLY 134 N 0.46 3.90 2.60 0.62 0.00 -0.44 -4.85 105.19 107.49 2k9a n GLY 134 Ca 0.06 -1.59 -0.06 0.00 0.00 0.00 0.00 46.02 44.43 2k9a n GLY 134 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2k9a n ARG 135 N 1.32 -4.65 0.00 1.61 5.12 -1.24 -5.10 116.66 113.72 2k9a n ARG 135 Ca 0.45 3.49 0.00 0.00 -1.93 0.00 0.00 57.85 59.86 2k9a n ARG 135 Cb 0.66 -5.06 0.00 0.00 -1.16 0.00 0.00 32.46 26.90 2k9a n ARG 135 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11