#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 -2.76 -0.13 7.83 2.03 -1.26 -4.92 116.55 117.33 2k9a n ASP 2 Ca 0.00 0.64 0.13 0.00 0.52 0.00 0.00 54.79 56.08 2k9a n ASP 2 Cb 0.00 2.70 0.38 0.00 -0.72 0.00 0.00 41.12 43.48 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 -3.22 3.16 0.56 -1.67 0.00 -1.26 -3.67 120.51 114.42 2k9a n ALA 3 Ca 0.00 -0.35 0.12 0.00 0.00 0.00 0.00 53.44 53.21 2k9a n ALA 3 Cb 0.00 -1.17 0.22 0.00 0.00 0.00 0.00 19.45 18.50 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 0.65 0.00 -8.37 0.00 -0.00 -2.09 -3.43 115.31 102.07 2k9a h LEU 4 Ca 0.00 -0.15 -0.63 0.00 -0.00 0.00 0.00 57.88 57.10 2k9a h LEU 4 Cb 0.48 0.00 -0.14 0.00 -0.00 0.00 0.00 40.66 41.00 2k9a h LEU 4 CO 0.00 0.08 0.48 -0.70 -0.00 0.00 0.00 178.44 178.30 2k9a s GLU 5 N -3.16 3.21 0.27 1.13 2.12 -1.24 -4.97 118.70 116.05 2k9a s GLU 5 Ca 0.07 -0.60 -0.20 0.00 0.36 0.00 0.00 54.97 54.60 2k9a s GLU 5 Cb 0.13 -4.14 0.05 0.00 0.26 0.00 0.00 34.13 30.44 2k9a s GLU 5 CO 0.69 -1.59 0.87 0.20 -0.54 0.00 0.00 175.26 174.89 2k9a s GLY 6 N 3.19 0.08 -0.65 -1.50 0.00 -1.26 -5.01 107.32 102.17 2k9a s GLY 6 Ca 0.25 -0.38 -0.23 0.00 0.00 0.00 0.00 44.72 44.36 2k9a s GLY 6 CO 0.14 0.41 0.96 -0.54 0.00 0.00 0.00 173.10 174.07 2k9a s GLU 7 N -2.85 3.12 0.00 2.90 2.02 -1.26 -4.46 118.70 118.17 2k9a s GLU 7 Ca 0.15 -0.81 0.00 0.00 0.02 0.00 0.00 54.97 54.34 2k9a s GLU 7 Cb -0.04 -4.22 0.00 0.00 0.10 0.00 0.00 34.13 29.97 2k9a s GLU 7 CO 0.07 -1.79 0.00 0.45 0.02 0.00 0.00 175.26 174.01 2k9a n SER 8 N 7.66 0.00 -0.82 -0.19 2.88 -1.26 -5.17 113.62 116.73 2k9a n SER 8 Ca -0.04 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.50 2k9a n SER 8 Cb 0.45 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.91 2k9a n SER 8 CO 0.00 0.00 0.00 0.49 -1.23 0.00 0.00 175.04 174.30 2k9a n PHE 9 N -0.81 -1.81 -0.28 0.66 3.01 -1.26 -4.72 117.46 112.24 2k9a n PHE 9 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.46 2k9a n PHE 9 Cb 0.00 0.25 0.00 0.00 -0.01 0.00 0.00 39.48 39.72 2k9a n PHE 9 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 2k9a n ALA 10 N 0.07 0.89 -1.93 4.37 0.00 -1.26 -5.09 120.51 117.57 2k9a n ALA 10 Ca 0.00 -0.09 -0.27 0.00 0.00 0.00 0.00 53.44 53.07 2k9a n ALA 10 Cb 0.00 0.00 0.09 0.00 0.00 0.00 0.00 19.45 19.54 2k9a n ALA 10 CO 0.00 0.00 0.00 -0.48 0.00 0.00 0.00 177.50 177.02 2k9a s LEU 11 N -0.42 2.72 0.00 0.00 0.05 -1.26 -5.02 118.68 114.74 2k9a s LEU 11 Ca 0.00 0.47 0.00 0.00 0.05 0.00 0.00 54.13 54.65 2k9a s LEU 11 Cb 0.00 -2.96 0.00 0.00 -2.05 0.00 0.00 46.19 41.18 2k9a s LEU 11 CO 0.00 -1.87 0.05 -0.24 -0.55 0.00 0.00 176.35 173.73 2k9a n SER 12 N -3.16 0.10 -4.37 1.48 2.88 -1.26 -5.07 113.62 104.22 2k9a n SER 12 Ca 0.10 -0.43 -0.32 0.00 -1.33 0.00 0.00 58.87 56.89 2k9a n SER 12 Cb 0.60 0.20 -0.15 0.00 -0.75 0.00 0.00 64.21 64.11 2k9a n SER 12 CO 0.00 0.00 0.00 -0.36 -1.23 0.00 0.00 175.04 173.45 2k9a s PHE 13 N -0.20 2.47 -0.04 0.66 0.40 -1.26 -5.13 117.98 114.89 2k9a s PHE 13 Ca 0.00 -0.33 -0.19 0.00 -0.60 0.00 0.00 56.93 55.81 2k9a s PHE 13 Cb 0.00 -1.55 0.04 0.00 0.51 0.00 0.00 43.02 42.02 2k9a s PHE 13 CO 0.00 0.05 0.41 -1.12 0.70 0.00 0.00 175.22 175.26 2k9a s SER 14 N -0.66 -0.33 0.01 1.36 0.01 -1.26 -5.04 113.70 107.79 2k9a s SER 14 Ca 0.11 0.31 0.23 0.00 1.31 0.00 0.00 55.95 57.90 2k9a s SER 14 Cb -0.10 0.42 0.09 0.00 0.21 0.00 0.00 66.02 66.63 2k9a s SER 14 CO -0.00 -0.46 1.10 -1.20 0.41 0.00 0.00 173.24 173.09 2k9a n SER 15 N 1.32 0.72 0.00 2.44 7.64 -1.26 -4.07 113.62 120.41 2k9a n SER 15 Ca -0.20 -0.55 0.06 0.00 1.01 0.00 0.00 58.87 59.18 2k9a n SER 15 Cb 0.56 0.71 0.30 0.00 -1.01 0.00 0.00 64.21 64.78 2k9a n SER 15 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2k9a n ALA 16 N -1.58 1.74 -0.44 -0.43 0.00 -1.26 -0.50 120.51 118.04 2k9a n ALA 16 Ca 0.04 -0.06 0.00 0.00 0.00 0.00 0.00 53.44 53.42 2k9a n ALA 16 Cb 0.36 -1.19 0.00 0.00 0.00 0.00 0.00 19.45 18.62 2k9a n ALA 16 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 2k9a n SER 17 N -1.23 0.00 0.00 0.00 7.64 -1.26 -4.93 113.62 113.85 2k9a n SER 17 Ca 0.06 0.78 0.00 0.00 1.01 0.00 0.00 58.87 60.72 2k9a n SER 17 Cb 0.08 -0.28 0.00 0.00 -1.01 0.00 0.00 64.21 63.00 2k9a n SER 17 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 2k9a n ASP 18 N -1.77 0.00 0.19 6.43 2.03 -1.25 -4.96 116.55 117.22 2k9a n ASP 18 Ca 0.00 0.00 0.03 0.00 0.52 0.00 0.00 54.79 55.34 2k9a n ASP 18 Cb 0.00 0.00 0.41 0.00 -0.72 0.00 0.00 41.12 40.81 2k9a n ASP 18 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2k9a h ALA 19 N 1.77 1.50 -0.04 -1.67 0.00 -1.94 -3.04 119.26 115.84 2k9a h ALA 19 Ca 0.00 -0.27 0.01 0.00 0.00 0.00 0.00 54.91 54.65 2k9a h ALA 19 Cb 0.00 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 2k9a h ALA 19 CO 0.00 0.38 -0.01 1.49 0.00 0.00 0.00 179.25 181.11 2k9a h GLU 20 N 0.02 0.00 -0.56 0.00 4.57 -1.94 -2.10 114.58 114.58 2k9a h GLU 20 Ca 0.00 -0.00 0.08 0.00 -1.18 0.00 0.00 59.36 58.26 2k9a h GLU 20 Cb 0.53 -0.00 -0.07 0.00 -0.16 0.00 0.00 28.75 29.05 2k9a h GLU 20 CO 0.04 0.00 0.20 0.35 -1.18 0.00 0.00 179.01 178.42 2k9a h PHE 21 N 0.00 0.35 -0.87 0.92 3.04 -0.67 -0.92 116.94 118.79 2k9a h PHE 21 Ca 0.02 0.03 0.08 0.00 3.98 0.00 0.00 57.97 62.07 2k9a h PHE 21 Cb 0.03 -0.07 -0.06 0.00 2.56 0.00 0.00 35.95 38.41 2k9a h PHE 21 CO -0.11 0.10 0.56 -0.44 -2.02 0.00 0.00 178.31 176.41 2k9a h ASP 22 N 0.38 0.83 -0.47 0.41 3.32 -1.47 -1.64 116.42 117.79 2k9a h ASP 22 Ca 0.28 0.01 0.02 0.00 0.02 0.00 0.00 57.03 57.36 2k9a h ASP 22 Cb 0.32 -0.16 -0.03 0.00 0.22 0.00 0.00 39.33 39.67 2k9a h ASP 22 CO -0.28 0.52 0.28 0.00 -1.72 0.00 0.00 179.24 178.04 2k9a h ALA 23 N 1.54 0.59 -0.93 3.45 0.00 -0.50 -2.14 119.26 121.27 2k9a h ALA 23 Ca 0.38 -0.01 0.01 0.00 0.00 0.00 0.00 54.91 55.29 2k9a h ALA 23 Cb 0.28 -0.14 -0.05 0.00 0.00 0.00 0.00 17.79 17.88 2k9a h ALA 23 CO -0.15 -0.02 0.61 0.28 0.00 0.00 0.00 179.25 179.97 2k9a h VAL 24 N 0.57 1.24 -0.63 0.00 2.07 -0.98 -1.86 116.25 116.65 2k9a h VAL 24 Ca 0.18 -0.45 0.02 0.00 0.82 0.00 0.00 66.70 67.28 2k9a h VAL 24 Cb 0.00 -0.12 -0.03 0.00 -1.52 0.00 0.00 31.29 29.61 2k9a h VAL 24 CO -0.08 0.24 0.42 0.58 0.02 0.00 0.00 177.57 178.75 2k9a h VAL 25 N 1.27 1.11 -0.08 2.57 2.07 -0.86 -2.19 116.25 120.13 2k9a h VAL 25 Ca 0.34 -0.27 -0.01 0.00 0.82 0.00 0.00 66.70 67.58 2k9a h VAL 25 Cb -0.13 0.26 -0.00 0.00 -1.52 0.00 0.00 31.29 29.89 2k9a h VAL 25 CO -0.07 0.14 0.01 1.23 0.02 0.00 0.00 177.57 178.90 2k9a h GLY 26 N 0.79 0.14 1.96 2.17 0.00 -0.78 -2.40 103.07 104.95 2k9a h GLY 26 Ca 0.24 -0.10 0.00 0.00 0.00 0.00 0.00 47.33 47.48 2k9a h GLY 26 CO -0.06 0.09 0.02 -0.97 0.00 0.00 0.00 176.54 175.62 2k9a h TYR 27 N -0.11 0.03 -0.11 5.60 0.05 -1.17 -2.35 116.97 118.90 2k9a h TYR 27 Ca 0.02 0.00 -0.04 0.00 0.05 0.00 0.00 58.73 58.77 2k9a h TYR 27 Cb 0.29 -0.01 -0.00 0.00 1.01 0.00 0.00 36.73 38.02 2k9a h TYR 27 CO 0.02 0.02 -0.08 -0.07 -1.05 0.00 0.00 178.16 177.00 2k9a h LEU 28 N 0.03 0.26 -0.86 3.88 3.38 -1.17 -2.88 115.31 117.95 2k9a h LEU 28 Ca 0.01 -0.44 0.07 0.00 0.09 0.00 0.00 57.88 57.61 2k9a h LEU 28 Cb 0.01 -0.07 -0.07 0.00 0.09 0.00 0.00 40.66 40.62 2k9a h LEU 28 CO -0.00 0.65 0.52 -0.33 0.09 0.00 0.00 178.44 179.37 2k9a h GLU 29 N -0.12 0.90 -0.23 1.13 5.08 -0.93 -0.28 114.58 120.13 2k9a h GLU 29 Ca 0.02 -0.05 -0.04 0.00 -1.00 0.00 0.00 59.36 58.29 2k9a h GLU 29 Cb 0.56 -0.20 -0.01 0.00 0.50 0.00 0.00 28.75 29.60 2k9a h GLU 29 CO 0.02 0.60 -0.01 -0.44 -1.00 0.00 0.00 179.01 178.17 2k9a h ASP 30 N 0.93 0.31 0.02 1.42 3.32 -1.46 -1.53 116.42 119.43 2k9a h ASP 30 Ca 0.39 -0.05 -0.19 0.00 0.02 0.00 0.00 57.03 57.20 2k9a h ASP 30 Cb 0.23 -0.08 0.02 0.00 0.22 0.00 0.00 39.33 39.72 2k9a h ASP 30 CO -0.20 0.38 -0.75 0.40 -1.72 0.00 0.00 179.24 177.35 2k9a h ILE 31 N 0.33 1.40 -0.27 0.35 2.04 -0.98 -2.58 117.51 117.79 2k9a h ILE 31 Ca 0.08 -2.18 -0.04 0.00 1.00 0.00 0.00 64.86 63.72 2k9a h ILE 31 Cb 0.25 2.62 -0.02 0.00 -0.74 0.00 0.00 36.82 38.93 2k9a h ILE 31 CO 0.01 0.64 0.01 0.40 0.00 0.00 0.00 178.15 179.21 2k9a h ILE 32 N -0.00 1.16 -0.26 -0.67 2.04 -0.87 -1.39 117.51 117.51 2k9a h ILE 32 Ca -0.10 -0.63 0.00 0.00 1.00 0.00 0.00 64.86 65.13 2k9a h ILE 32 Cb 1.46 0.95 0.00 0.00 -0.74 0.00 0.00 36.82 38.49 2k9a h ILE 32 CO 0.15 0.21 0.00 0.23 0.00 0.00 0.00 178.15 178.74 2k9a n MET 33 N -4.33 1.97 -2.58 2.37 2.81 -0.60 -4.67 117.12 112.09 2k9a n MET 33 Ca 0.01 -1.46 -0.41 0.00 -1.81 0.00 0.00 57.70 54.03 2k9a n MET 33 Cb 0.21 -1.41 -0.04 0.00 -0.71 0.00 0.00 33.22 31.26 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 -1.45 7.35 0.22 7.83 2.15 -0.52 -4.95 116.67 127.29 2k9a s ASP 34 Ca 0.33 2.01 -0.09 0.00 0.43 0.00 0.00 52.55 55.24 2k9a s ASP 34 Cb 0.18 -2.60 0.22 0.00 -0.30 0.00 0.00 42.92 40.42 2k9a s ASP 34 CO 0.26 -0.15 1.87 0.44 -0.17 0.00 0.00 175.17 177.42 2k9a h ASP 35 N 5.13 0.84 0.12 -0.34 3.32 -1.90 -1.41 116.42 122.18 2k9a h ASP 35 Ca -0.44 -0.01 -0.02 0.00 0.02 0.00 0.00 57.03 56.58 2k9a h ASP 35 Cb 1.21 -0.19 -0.00 0.00 0.22 0.00 0.00 39.33 40.57 2k9a h ASP 35 CO 0.72 0.58 -0.10 -0.08 -1.72 0.00 0.00 179.24 178.63 2k9a h GLU 36 N 0.99 0.00 0.00 3.56 4.81 -1.92 -0.32 114.58 121.69 2k9a h GLU 36 Ca 0.31 0.00 -0.14 0.00 -0.13 0.00 0.00 59.36 59.40 2k9a h GLU 36 Cb -0.01 0.00 0.01 0.00 0.63 0.00 0.00 28.75 29.38 2k9a h GLU 36 CO -0.11 0.10 -0.56 0.35 -0.73 0.00 0.00 179.01 178.07 2k9a h PHE 37 N 0.00 0.56 -0.20 0.92 3.57 -1.53 -2.38 116.94 117.89 2k9a h PHE 37 Ca -0.00 -0.31 -0.10 0.00 3.53 0.00 0.00 57.97 61.09 2k9a h PHE 37 Cb 0.19 -0.06 -0.01 0.00 2.79 0.00 0.00 35.95 38.86 2k9a h PHE 37 CO 0.00 1.13 -0.33 1.96 -2.23 0.00 0.00 178.31 178.84 2k9a h GLN 38 N -0.16 0.41 -0.16 1.11 4.20 -1.07 -1.18 115.11 118.26 2k9a h GLN 38 Ca -0.07 -0.17 -0.06 0.00 0.06 0.00 0.00 58.65 58.41 2k9a h GLN 38 Cb 1.28 -0.01 -0.00 0.00 0.30 0.00 0.00 27.48 29.04 2k9a h GLN 38 CO 0.11 0.69 -0.11 1.25 -0.67 0.00 0.00 178.83 180.10 2k9a h LEU 39 N 0.35 0.38 0.08 1.46 6.46 -1.12 -2.20 115.31 120.72 2k9a h LEU 39 Ca 0.04 -0.44 -0.00 0.00 -0.12 0.00 0.00 57.88 57.35 2k9a h LEU 39 Cb 0.75 -0.11 0.00 0.00 -0.73 0.00 0.00 40.66 40.57 2k9a h LEU 39 CO 0.06 0.75 -0.04 0.25 -0.62 0.00 0.00 178.44 178.84 2k9a h LEU 40 N 0.02 -0.09 -0.31 2.25 6.46 -1.36 -1.75 115.31 120.54 2k9a h LEU 40 Ca 0.03 -0.25 0.06 0.00 -0.12 0.00 0.00 57.88 57.60 2k9a h LEU 40 Cb 0.62 0.02 -0.05 0.00 -0.73 0.00 0.00 40.66 40.52 2k9a h LEU 40 CO 0.03 0.21 -0.04 -0.61 -0.62 0.00 0.00 178.44 177.41 2k9a h GLN 41 N -0.38 0.04 -0.23 1.25 4.15 -1.28 -1.64 115.11 117.02 2k9a h GLN 41 Ca -0.01 -0.00 -0.05 0.00 0.77 0.00 0.00 58.65 59.35 2k9a h GLN 41 Cb 0.33 -0.01 -0.01 0.00 0.21 0.00 0.00 27.48 28.00 2k9a h GLN 41 CO 0.02 0.03 -0.10 -0.09 -1.93 0.00 0.00 178.83 176.76 2k9a h ARG 42 N 0.04 0.36 -0.20 1.69 2.43 -1.41 -0.56 114.38 116.74 2k9a h ARG 42 Ca 0.15 -0.09 0.00 0.00 -0.81 0.00 0.00 59.98 59.23 2k9a h ARG 42 Cb 0.22 -0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 29.71 2k9a h ARG 42 CO -0.29 0.47 0.13 -0.97 -1.51 0.00 0.00 179.97 177.80 2k9a h ASN 43 N 0.34 0.24 0.11 -3.80 -0.73 -0.36 -1.67 115.58 109.71 2k9a h ASN 43 Ca 0.07 -0.03 -0.20 0.00 1.87 0.00 0.00 56.30 58.01 2k9a h ASN 43 Cb 0.39 -0.06 0.02 0.00 0.27 0.00 0.00 38.32 38.94 2k9a h ASN 43 CO 0.02 0.20 -0.85 -0.26 -0.37 0.00 0.00 177.43 176.17 2k9a h PHE 44 N 0.26 0.65 -0.15 0.67 -1.00 -1.32 -3.24 116.94 112.81 2k9a h PHE 44 Ca 0.07 -0.43 0.04 0.00 2.81 0.00 0.00 57.97 60.47 2k9a h PHE 44 Cb -0.00 -0.04 -0.01 0.00 3.61 0.00 0.00 35.95 39.51 2k9a h PHE 44 CO -0.06 1.30 0.20 0.52 -1.61 0.00 0.00 178.31 178.66 2k9a h MET 45 N -0.19 0.00 -0.34 1.51 2.86 -1.10 -0.37 114.93 117.30 2k9a h MET 45 Ca -0.14 0.00 0.09 0.00 -2.06 0.00 0.00 59.70 57.59 2k9a h MET 45 Cb 1.61 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 33.26 2k9a h MET 45 CO 0.16 0.00 0.24 0.22 1.06 0.00 0.00 176.91 178.60 2k9a h ASP 46 N 0.00 0.05 0.00 1.22 1.82 -1.32 -1.43 116.42 116.76 2k9a h ASP 46 Ca 0.07 0.00 -0.37 0.00 -0.39 0.00 0.00 57.03 56.34 2k9a h ASP 46 Cb 0.46 -0.01 -0.06 0.00 0.68 0.00 0.00 39.33 40.40 2k9a h ASP 46 CO -0.00 0.03 -2.37 0.29 -1.61 0.00 0.00 179.24 175.57 2k9a n LYS 47 N -4.45 0.59 -0.21 0.28 4.76 -0.21 -4.52 118.16 114.40 2k9a n LYS 47 Ca 0.05 0.16 -0.01 0.00 -2.87 0.00 0.00 58.31 55.64 2k9a n LYS 47 Cb 0.39 -1.46 0.10 0.00 -1.84 0.00 0.00 35.03 32.22 2k9a n LYS 47 CO 0.00 0.00 0.00 1.88 -1.37 0.00 0.00 177.40 177.91 2k9a h TYR 48 N -0.18 0.50 -0.23 2.13 -1.99 -1.26 -1.32 116.97 114.61 2k9a h TYR 48 Ca -0.56 0.03 0.07 0.00 2.00 0.00 0.00 58.73 60.27 2k9a h TYR 48 Cb 1.78 -0.13 -0.01 0.00 2.00 0.00 0.00 36.73 40.37 2k9a h TYR 48 CO 0.01 0.18 0.18 0.10 -0.00 0.00 0.00 178.16 178.62 2k9a h TYR 49 N 0.50 0.00 0.17 4.88 -0.00 -1.50 -0.95 116.97 120.07 2k9a h TYR 49 Ca 0.30 0.00 -0.31 0.00 -0.00 0.00 0.00 58.73 58.72 2k9a h TYR 49 Cb 0.31 0.00 0.01 0.00 -0.00 0.00 0.00 36.73 37.05 2k9a h TYR 49 CO -0.13 0.00 -1.44 1.37 -0.00 0.00 0.00 178.16 177.96 2k9a h LEU 50 N 0.00 0.58 -0.31 0.10 8.10 -1.49 -3.34 115.31 118.94 2k9a h LEU 50 Ca 0.11 -0.67 -0.07 0.00 0.11 0.00 0.00 57.88 57.35 2k9a h LEU 50 Cb 0.47 -0.19 -0.01 0.00 -0.44 0.00 0.00 40.66 40.49 2k9a h LEU 50 CO -0.00 1.54 -0.08 -0.33 -4.11 0.00 0.00 178.44 175.46 2k9a h GLU 51 N 0.10 0.60 -5.88 0.17 4.39 -0.77 -3.38 114.58 109.81 2k9a h GLU 51 Ca -0.22 -0.23 -0.41 0.00 0.34 0.00 0.00 59.36 58.83 2k9a h GLU 51 Cb 2.06 -0.03 -0.07 0.00 -0.10 0.00 0.00 28.75 30.61 2k9a h GLU 51 CO 0.22 0.79 1.03 -0.06 -1.16 0.00 0.00 179.01 179.83 2k9a s PHE 52 N -4.77 2.05 0.44 4.33 0.40 -0.45 -4.96 117.98 115.02 2k9a s PHE 52 Ca -0.13 0.13 -0.16 0.00 -0.60 0.00 0.00 56.93 56.17 2k9a s PHE 52 Cb 0.09 -4.28 -0.09 0.00 0.51 0.00 0.00 43.02 39.25 2k9a s PHE 52 CO 0.79 -1.85 0.89 -2.00 0.70 0.00 0.00 175.22 173.74 2k9a s GLU 53 N 6.30 3.99 0.00 0.44 2.56 -1.26 -4.83 118.70 125.90 2k9a s GLU 53 Ca 0.61 0.84 0.10 0.00 0.00 0.00 0.00 54.97 56.52 2k9a s GLU 53 Cb -0.05 -2.25 0.54 0.00 2.00 0.00 0.00 34.13 34.37 2k9a s GLU 53 CO -0.02 -0.08 1.17 -0.40 -0.56 0.00 0.00 175.26 175.36 2k9a n ASP 54 N -1.07 0.00 -4.76 -1.70 5.68 -1.26 -4.77 116.55 108.67 2k9a n ASP 54 Ca 0.05 0.01 -0.36 0.00 -0.50 0.00 0.00 54.79 54.00 2k9a n ASP 54 Cb 0.54 -0.21 0.02 0.00 -1.14 0.00 0.00 41.12 40.33 2k9a n ASP 54 CO 0.00 0.00 0.00 0.42 -1.33 0.00 0.00 177.20 176.29 2k9a s THR 55 N -2.41 2.79 -1.24 2.12 -4.23 -1.26 -4.92 115.64 106.49 2k9a s THR 55 Ca 0.11 0.51 0.28 0.00 -1.18 0.00 0.00 61.69 61.42 2k9a s THR 55 Cb 0.07 -3.22 0.26 0.00 1.34 0.00 0.00 72.50 70.95 2k9a s THR 55 CO 0.14 -0.09 1.78 -0.62 -0.54 0.00 0.00 174.62 175.29 2k9a n GLU 56 N -1.33 0.25 -2.66 3.99 -0.58 -1.26 -4.78 120.64 114.27 2k9a n GLU 56 Ca 0.12 -0.08 -0.43 0.00 -0.42 0.00 0.00 57.16 56.35 2k9a n GLU 56 Cb 0.49 -1.50 -0.02 0.00 -0.57 0.00 0.00 31.44 29.84 2k9a n GLU 56 CO 0.00 0.00 0.00 -2.00 -0.48 0.00 0.00 177.13 174.65 2k9a s GLU 57 N -2.81 4.06 -0.25 3.49 -6.30 -1.26 -5.01 118.70 110.63 2k9a s GLU 57 Ca 0.19 1.05 -0.15 0.00 -2.50 0.00 0.00 54.97 53.57 2k9a s GLU 57 Cb 0.19 -3.73 -0.04 0.00 0.00 0.00 0.00 34.13 30.55 2k9a s GLU 57 CO 0.55 -0.89 0.35 -0.80 0.02 0.00 0.00 175.26 174.50 2k9a s ASN 58 N 1.64 6.29 0.72 -1.70 -0.87 -1.26 -5.03 114.94 114.73 2k9a s ASN 58 Ca 0.45 0.33 -0.01 0.00 -1.57 0.00 0.00 52.86 52.05 2k9a s ASN 58 Cb -0.12 -2.20 0.12 0.00 -0.02 0.00 0.00 41.25 39.03 2k9a s ASN 58 CO 0.15 -0.12 1.00 -0.54 -2.57 0.00 0.00 177.10 175.01 2k9a s LYS 59 N 1.72 1.69 0.37 -0.60 1.02 -1.26 -5.00 119.74 117.69 2k9a s LYS 59 Ca 0.15 -1.05 0.24 0.00 0.02 0.00 0.00 55.97 55.33 2k9a s LYS 59 Cb -0.15 -2.32 0.48 0.00 -0.52 0.00 0.00 37.83 35.33 2k9a s LYS 59 CO 0.09 -1.44 1.66 1.25 -0.92 0.00 0.00 175.35 175.99 2k9a h LEU 60 N -0.54 0.00 -2.10 3.17 5.85 -2.04 -3.19 115.31 116.46 2k9a h LEU 60 Ca -0.37 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.35 2k9a h LEU 60 Cb 1.27 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.30 2k9a h LEU 60 CO 0.41 0.00 0.00 -0.29 -0.34 0.00 0.00 178.44 178.22 2k9a h ILE 61 N 0.00 0.00 0.00 4.05 6.09 -2.03 -1.76 117.51 123.87 2k9a h ILE 61 Ca 0.00 -0.23 0.00 0.00 -1.37 0.00 0.00 64.86 63.26 2k9a h ILE 61 Cb 0.92 1.17 0.00 0.00 0.47 0.00 0.00 36.82 39.38 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 0.11 2.19 0.05 -1.96 -2.84 116.97 114.53 2k9a h TYR 62 Ca 0.00 0.00 -0.01 0.00 0.05 0.00 0.00 58.73 58.77 2k9a h TYR 62 Cb 0.24 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.98 2k9a h TYR 62 CO 0.00 0.00 -0.05 1.15 -1.05 0.00 0.00 178.16 178.21 2k9a h THR 63 N 0.00 1.07 -0.52 -2.88 2.02 -1.55 -2.44 112.91 108.61 2k9a h THR 63 Ca 0.00 -1.21 -0.11 0.00 0.77 0.00 0.00 66.41 65.86 2k9a h THR 63 Cb 0.57 1.78 -0.02 0.00 -1.74 0.00 0.00 68.15 68.73 2k9a h THR 63 CO 0.00 0.27 -0.11 1.55 0.37 0.00 0.00 175.52 177.60 2k9a h PRO 64 N -0.76 1.00 -0.58 6.66 0.13 -1.71 -2.60 132.00 134.14 2k9a h PRO 64 Ca -0.02 -0.38 0.02 0.00 -0.87 0.00 0.00 66.00 64.76 2k9a h PRO 64 Cb 0.56 -0.06 -0.03 0.00 0.13 0.00 0.00 31.00 31.59 2k9a h PRO 64 CO 0.03 1.05 0.36 0.82 -0.23 0.00 0.00 178.00 180.03 2k9a h ILE 65 N 0.86 1.10 -0.41 -3.56 2.04 -1.61 -1.75 117.51 114.19 2k9a h ILE 65 Ca 0.13 -0.25 -0.02 0.00 1.00 0.00 0.00 64.86 65.72 2k9a h ILE 65 Cb 0.68 0.31 -0.02 0.00 -0.74 0.00 0.00 36.82 37.05 2k9a h ILE 65 CO 0.05 0.13 0.19 0.15 0.00 0.00 0.00 178.15 178.67 2k9a h PHE 66 N 0.73 0.60 -0.25 1.37 3.57 -1.37 -2.38 116.94 119.21 2k9a h PHE 66 Ca 0.22 -0.04 0.01 0.00 3.53 0.00 0.00 57.97 61.70 2k9a h PHE 66 Cb -0.03 -0.18 -0.01 0.00 2.79 0.00 0.00 35.95 38.51 2k9a h PHE 66 CO -0.05 0.51 0.17 -0.91 -2.23 0.00 0.00 178.31 175.80 2k9a h ASN 67 N 0.52 0.26 -0.29 0.41 -0.26 -1.12 -1.45 115.58 113.65 2k9a h ASN 67 Ca 0.14 -0.01 -0.16 0.00 -0.56 0.00 0.00 56.30 55.72 2k9a h ASN 67 Cb 0.14 -0.06 -0.01 0.00 -1.06 0.00 0.00 38.32 37.33 2k9a h ASN 67 CO -0.02 0.18 -0.41 -0.08 -1.06 0.00 0.00 177.43 176.05 2k9a h GLU 68 N 0.30 0.85 -0.37 0.81 4.57 -0.84 -0.93 114.58 118.97 2k9a h GLU 68 Ca 0.10 -0.45 -0.15 0.00 -1.18 0.00 0.00 59.36 57.67 2k9a h GLU 68 Cb 0.02 0.02 -0.01 0.00 -0.16 0.00 0.00 28.75 28.62 2k9a h GLU 68 CO -0.02 1.09 -0.36 -0.92 -1.18 0.00 0.00 179.01 177.62 2k9a h TYR 69 N 0.69 1.02 0.00 0.92 5.03 -0.92 0.45 116.97 124.15 2k9a h TYR 69 Ca 0.05 -0.29 -0.13 0.00 2.58 0.00 0.00 58.73 60.94 2k9a h TYR 69 Cb 0.99 -0.22 -0.02 0.00 1.55 0.00 0.00 36.73 39.03 2k9a h TYR 69 CO 0.06 1.09 -0.62 0.82 -1.32 0.00 0.00 178.16 178.19 2k9a h ILE 70 N 0.71 1.32 0.08 1.81 1.08 -1.25 -0.56 117.51 120.70 2k9a h ILE 70 Ca 0.06 -2.21 -0.30 0.00 -0.39 0.00 0.00 64.86 62.03 2k9a h ILE 70 Cb 0.93 2.23 -0.02 0.00 -3.07 0.00 0.00 36.82 36.90 2k9a h ILE 70 CO 0.09 0.61 -1.54 0.28 -0.69 0.00 0.00 178.15 176.89 2k9a h SER 71 N 0.00 0.28 0.00 1.72 0.02 -1.07 -3.28 113.55 111.22 2k9a h SER 71 Ca -0.01 -0.42 0.00 0.00 -0.84 0.00 0.00 61.79 60.53 2k9a h SER 71 Cb 1.18 -0.09 0.00 0.00 0.14 0.00 0.00 62.40 63.63 2k9a h SER 71 CO 0.08 1.35 -0.38 0.25 -1.14 0.00 0.00 176.83 176.99 2k9a h LEU 72 N 0.05 0.00 0.62 5.07 5.85 -0.94 -3.36 115.31 122.60 2k9a h LEU 72 Ca -0.24 0.00 -0.03 0.00 0.84 0.00 0.00 57.88 58.45 2k9a h LEU 72 Cb 1.99 0.00 0.01 0.00 0.37 0.00 0.00 40.66 43.03 2k9a h LEU 72 CO 0.14 0.59 -0.30 0.58 -0.34 0.00 0.00 178.44 179.11 2k9a h VAL 73 N -0.80 0.05 -0.81 1.05 2.07 -1.28 -0.54 116.25 115.99 2k9a h VAL 73 Ca 0.00 -0.39 0.15 0.00 0.82 0.00 0.00 66.70 67.28 2k9a h VAL 73 Cb 0.38 0.07 -0.09 0.00 -1.52 0.00 0.00 31.29 30.13 2k9a h VAL 73 CO 0.00 0.01 0.39 -0.08 0.02 0.00 0.00 177.57 177.91 2k9a h GLU 74 N -1.20 0.54 0.00 1.57 4.81 -1.58 0.21 114.58 118.92 2k9a h GLU 74 Ca -0.09 -0.03 -0.06 0.00 -0.13 0.00 0.00 59.36 59.05 2k9a h GLU 74 Cb 0.65 -0.12 -0.01 0.00 0.63 0.00 0.00 28.75 29.90 2k9a h GLU 74 CO 0.14 0.36 -0.27 0.87 -0.73 0.00 0.00 179.01 179.37 2k9a h LYS 75 N 0.55 0.00 -0.18 1.92 1.57 -1.61 -2.78 116.57 116.05 2k9a h LYS 75 Ca 0.45 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 59.22 2k9a h LYS 75 Cb 0.65 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.95 2k9a h LYS 75 CO -0.38 0.27 0.09 -0.92 -0.57 0.00 0.00 179.45 177.95 2k9a h TYR 76 N 0.00 0.25 -0.23 -1.35 3.20 0.11 -0.23 116.97 118.73 2k9a h TYR 76 Ca -0.00 -0.01 -0.09 0.00 3.14 0.00 0.00 58.73 61.76 2k9a h TYR 76 Cb 0.89 -0.08 -0.00 0.00 1.54 0.00 0.00 36.73 39.08 2k9a h TYR 76 CO 0.00 0.27 -0.22 0.82 -1.64 0.00 0.00 178.16 177.39 2k9a h ILE 77 N 0.17 1.32 -0.12 1.81 2.04 -1.46 -2.64 117.51 118.63 2k9a h ILE 77 Ca 0.06 -1.38 0.03 0.00 1.00 0.00 0.00 64.86 64.57 2k9a h ILE 77 Cb 0.10 1.70 -0.03 0.00 -0.74 0.00 0.00 36.82 37.86 2k9a h ILE 77 CO -0.01 0.43 -0.05 -0.08 0.00 0.00 0.00 178.15 178.44 2k9a h GLU 78 N 0.24 -0.03 -0.35 2.37 4.81 -1.41 -2.01 114.58 118.21 2k9a h GLU 78 Ca 0.04 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.27 2k9a h GLU 78 Cb 0.77 0.01 -0.02 0.00 0.63 0.00 0.00 28.75 30.14 2k9a h GLU 78 CO 0.06 -0.02 0.22 0.93 -0.73 0.00 0.00 179.01 179.47 2k9a h GLU 79 N -0.03 0.47 -0.46 1.92 4.39 -1.08 -1.14 114.58 118.64 2k9a h GLU 79 Ca 0.07 -0.04 0.06 0.00 0.34 0.00 0.00 59.36 59.79 2k9a h GLU 79 Cb 0.13 -0.10 -0.03 0.00 -0.10 0.00 0.00 28.75 28.65 2k9a h GLU 79 CO -0.14 0.34 0.31 1.96 -1.16 0.00 0.00 179.01 180.32 2k9a h GLN 80 N 0.46 0.36 0.06 2.33 1.08 -1.23 -1.32 115.11 116.85 2k9a h GLN 80 Ca 0.13 -0.02 -0.25 0.00 -1.45 0.00 0.00 58.65 57.06 2k9a h GLN 80 Cb -0.02 -0.08 0.00 0.00 -0.05 0.00 0.00 27.48 27.33 2k9a h GLN 80 CO -0.03 0.24 -1.08 -0.07 -0.95 0.00 0.00 178.83 176.95 2k9a h LEU 81 N 0.37 0.48 -1.65 1.46 3.38 -0.82 -3.21 115.31 115.32 2k9a h LEU 81 Ca 0.20 -0.44 -0.03 0.00 0.09 0.00 0.00 57.88 57.71 2k9a h LEU 81 Cb 0.33 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 40.93 2k9a h LEU 81 CO -0.05 1.28 -0.13 -0.07 0.09 0.00 0.00 178.44 179.56 2k9a h LEU 82 N 0.16 0.00 -2.37 1.67 3.38 -0.12 -0.14 115.31 117.88 2k9a h LEU 82 Ca -0.10 0.00 0.02 0.00 0.09 0.00 0.00 57.88 57.88 2k9a h LEU 82 Cb 1.75 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.50 2k9a h LEU 82 CO 0.18 0.13 0.08 1.56 0.09 0.00 0.00 178.44 180.48 2k9a h GLN 83 N 0.00 0.00 0.00 1.13 4.20 -1.37 -2.93 115.11 116.14 2k9a h GLN 83 Ca -0.00 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.70 2k9a h GLN 83 Cb 0.48 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.26 2k9a h GLN 83 CO 0.02 0.00 -1.10 0.54 -0.67 0.00 0.00 178.83 177.62 2k9a n ARG 84 N -3.85 0.93 -3.74 1.46 1.74 -1.00 -4.90 116.66 107.30 2k9a n ARG 84 Ca -0.01 -0.01 -0.29 0.00 -0.77 0.00 0.00 57.85 56.76 2k9a n ARG 84 Cb 0.17 -1.05 -0.13 0.00 -1.02 0.00 0.00 32.46 30.44 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 -2.11 1.60 -1.63 0.55 1.01 -0.10 -4.95 121.20 115.56 2k9a s ILE 85 Ca -0.01 -2.73 0.17 0.00 0.00 0.00 0.00 60.65 58.09 2k9a s ILE 85 Cb 0.01 -2.11 0.37 0.00 0.01 0.00 0.00 42.46 40.74 2k9a s ILE 85 CO 0.08 -0.90 1.49 -0.81 0.00 0.00 0.00 174.94 174.80 2k9a n PRO 86 N 3.40 0.36 -0.25 2.79 -0.04 -1.21 -2.13 135.00 137.93 2k9a n PRO 86 Ca 0.09 0.08 0.07 0.00 -0.04 0.00 0.00 63.50 63.70 2k9a n PRO 86 Cb 0.35 -1.50 0.18 0.00 -0.04 0.00 0.00 33.50 32.48 2k9a n PRO 86 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 2k9a n GLU 87 N -1.18 2.62 -2.47 0.54 0.28 -1.26 -5.02 120.64 114.15 2k9a n GLU 87 Ca 0.10 -2.41 -0.41 0.00 -0.16 0.00 0.00 57.16 54.28 2k9a n GLU 87 Cb 0.11 -1.52 -0.04 0.00 1.43 0.00 0.00 31.44 31.42 2k9a n GLU 87 CO 0.00 0.00 0.00 0.12 -0.16 0.00 0.00 177.13 177.09 2k9a s PHE 88 N -2.11 3.53 -0.38 -1.84 5.36 -0.90 -5.02 117.98 116.61 2k9a s PHE 88 Ca 0.30 1.50 -0.00 0.00 -0.96 0.00 0.00 56.93 57.77 2k9a s PHE 88 Cb 0.23 -3.33 0.11 0.00 -0.34 0.00 0.00 43.02 39.68 2k9a s PHE 88 CO 0.08 -0.86 0.14 -0.80 -1.46 0.00 0.00 175.22 172.33 2k9a s ASN 89 N 0.21 5.07 0.43 6.13 -0.87 -1.26 -4.96 114.94 119.69 2k9a s ASN 89 Ca 0.52 -2.06 0.09 0.00 -1.57 0.00 0.00 52.86 49.84 2k9a s ASN 89 Cb -0.30 -1.75 0.92 0.00 -0.02 0.00 0.00 41.25 40.10 2k9a s ASN 89 CO 0.34 -0.48 2.04 -0.03 -2.57 0.00 0.00 177.10 176.40 2k9a h MET 90 N 7.89 0.35 0.50 -0.60 4.05 -1.98 0.16 114.93 125.30 2k9a h MET 90 Ca -0.10 -0.04 -0.02 0.00 -0.28 0.00 0.00 59.70 59.26 2k9a h MET 90 Cb 1.04 -0.07 0.00 0.00 -0.80 0.00 0.00 31.60 31.77 2k9a h MET 90 CO 0.63 0.29 -0.24 0.00 0.23 0.00 0.00 176.91 177.83 2k9a h ALA 91 N 1.76 -0.67 0.00 0.39 0.00 -2.01 -2.69 119.26 116.05 2k9a h ALA 91 Ca 0.09 -0.19 -0.04 0.00 0.00 0.00 0.00 54.91 54.78 2k9a h ALA 91 Cb 0.07 0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 2k9a h ALA 91 CO -0.01 -0.69 -0.18 0.00 0.00 0.00 0.00 179.25 178.37 2k9a h ALA 92 N -0.82 1.34 0.25 0.00 0.00 -1.97 -2.61 119.26 115.45 2k9a h ALA 92 Ca -0.07 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 54.67 2k9a h ALA 92 Cb 0.59 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.36 2k9a h ALA 92 CO 0.11 0.22 -0.12 0.35 0.00 0.00 0.00 179.25 179.81 2k9a h PHE 93 N 0.00 -0.31 -0.52 0.00 3.57 -0.94 -2.71 116.94 116.03 2k9a h PHE 93 Ca -0.00 -0.01 -0.05 0.00 3.53 0.00 0.00 57.97 61.44 2k9a h PHE 93 Cb 0.42 0.10 -0.02 0.00 2.79 0.00 0.00 35.95 39.23 2k9a h PHE 93 CO 0.00 -0.04 0.10 1.79 -2.23 0.00 0.00 178.31 177.94 2k9a h THR 94 N -0.56 1.23 -0.19 4.41 1.35 -1.36 0.35 112.91 118.13 2k9a h THR 94 Ca -0.03 -0.84 0.04 0.00 -0.55 0.00 0.00 66.41 65.02 2k9a h THR 94 Cb 0.41 0.71 -0.04 0.00 -1.73 0.00 0.00 68.15 67.51 2k9a h THR 94 CO 0.06 0.31 -0.04 0.74 -0.25 0.00 0.00 175.52 176.34 2k9a h THR 95 N 0.78 0.82 0.00 6.82 2.02 -1.41 -1.91 112.91 120.03 2k9a h THR 95 Ca 0.17 -0.00 -0.16 0.00 0.77 0.00 0.00 66.41 67.18 2k9a h THR 95 Cb 0.32 0.81 -0.02 0.00 -1.74 0.00 0.00 68.15 67.51 2k9a h THR 95 CO 0.00 0.00 -0.76 0.74 0.37 0.00 0.00 175.52 175.87 2k9a h THR 96 N 0.01 1.48 -0.40 3.16 2.02 -1.34 -3.28 112.91 114.55 2k9a h THR 96 Ca 0.09 -2.68 0.05 0.00 0.77 0.00 0.00 66.41 64.64 2k9a h THR 96 Cb 0.14 2.47 -0.04 0.00 -1.74 0.00 0.00 68.15 68.98 2k9a h THR 96 CO -0.19 0.75 0.15 0.25 0.37 0.00 0.00 175.52 176.85 2k9a h LEU 97 N 0.00 0.17 -1.96 2.58 6.46 -0.34 0.14 115.31 122.34 2k9a h LEU 97 Ca -0.01 0.04 0.21 0.00 -0.12 0.00 0.00 57.88 58.01 2k9a h LEU 97 Cb 1.41 0.02 -0.03 0.00 -0.73 0.00 0.00 40.66 41.33 2k9a h LEU 97 CO 0.10 0.13 0.59 1.56 -0.62 0.00 0.00 178.44 180.20 2k9a h GLN 98 N 0.31 0.00 0.10 1.25 4.20 -1.43 0.87 115.11 120.42 2k9a h GLN 98 Ca 0.18 0.00 -0.36 0.00 0.06 0.00 0.00 58.65 58.53 2k9a h GLN 98 Cb 0.15 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 27.91 2k9a h GLN 98 CO -0.18 0.00 -1.99 1.58 -0.67 0.00 0.00 178.83 177.58 2k9a n HIS 99 N -4.09 1.17 0.64 2.96 -0.00 -0.47 -3.92 115.22 111.51 2k9a n HIS 99 Ca 0.15 0.27 0.06 0.00 0.46 0.00 0.00 57.72 58.66 2k9a n HIS 99 Cb 0.86 -1.16 0.34 0.00 -0.12 0.00 0.00 29.99 29.91 2k9a n HIS 99 CO 0.00 0.00 0.00 1.58 0.46 0.00 0.00 176.34 178.38 2k9a n HIS 100 N -3.41 0.00 0.34 1.57 -0.00 0.35 -2.68 115.22 111.38 2k9a n HIS 100 Ca -0.31 0.00 0.23 0.00 -0.00 0.00 0.00 57.72 57.64 2k9a n HIS 100 Cb 1.05 -0.25 1.21 0.00 -0.00 0.00 0.00 29.99 31.99 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 -0.07 1.57 1.57 -1.13 -1.35 116.57 117.17 2k9a h LYS 101 Ca 0.00 0.00 0.02 0.00 -1.87 0.00 0.00 60.65 58.80 2k9a h LYS 101 Cb 0.11 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.42 2k9a h LYS 101 CO 0.00 0.00 0.27 -0.44 -0.57 0.00 0.00 179.45 178.71 2k9a h ASP 102 N 0.00 0.00 0.00 0.86 3.32 -1.80 -3.06 116.42 115.74 2k9a h ASP 102 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 2k9a h ASP 102 Cb 0.01 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.56 2k9a h ASP 102 CO 0.00 0.00 -0.90 1.21 -1.72 0.00 0.00 179.24 177.83 2k9a n GLU 103 N -3.13 0.00 -1.86 3.56 0.00 -0.60 -5.06 120.64 113.55 2k9a n GLU 103 Ca -0.01 0.00 -0.38 0.00 0.00 0.00 0.00 57.16 56.77 2k9a n GLU 103 Cb 0.34 -0.94 0.03 0.00 0.00 0.00 0.00 31.44 30.88 2k9a n GLU 103 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.13 177.21 2k9a s VAL 104 N -1.90 2.25 -0.28 6.31 1.01 -0.69 -4.90 120.40 122.20 2k9a s VAL 104 Ca 0.00 0.19 -0.29 0.00 0.00 0.00 0.00 61.98 61.88 2k9a s VAL 104 Cb 0.00 -3.09 -0.02 0.00 0.00 0.00 0.00 36.38 33.26 2k9a s VAL 104 CO 0.00 -0.00 1.72 0.00 0.00 0.00 0.00 175.10 176.81 2k9a s ALA 105 N -1.35 3.06 0.40 5.51 0.00 -1.26 -4.74 121.76 123.38 2k9a s ALA 105 Ca 0.71 0.36 0.12 0.00 0.00 0.00 0.00 51.96 53.15 2k9a s ALA 105 Cb -0.38 -3.94 0.83 0.00 0.00 0.00 0.00 23.12 19.62 2k9a s ALA 105 CO 0.45 -2.32 1.90 0.78 0.00 0.00 0.00 175.76 176.57 2k9a h GLY 106 N 12.75 0.06 1.02 0.00 0.00 -1.91 -2.73 103.07 112.25 2k9a h GLY 106 Ca -0.34 -0.04 -0.01 0.00 0.00 0.00 0.00 47.33 46.94 2k9a h GLY 106 CO 1.02 0.04 0.45 -1.80 0.00 0.00 0.00 176.54 176.25 2k9a h ASP 107 N 0.05 1.02 -0.01 0.19 3.58 -1.99 0.10 116.42 119.36 2k9a h ASP 107 Ca 0.01 -0.10 -0.02 0.00 0.42 0.00 0.00 57.03 57.34 2k9a h ASP 107 Cb 0.49 -0.26 0.00 0.00 1.72 0.00 0.00 39.33 41.28 2k9a h ASP 107 CO 0.03 0.82 -0.06 0.40 -2.88 0.00 0.00 179.24 177.55 2k9a h ILE 108 N 1.14 1.52 0.00 2.25 2.04 -1.92 -3.24 117.51 119.30 2k9a h ILE 108 Ca 0.29 -1.61 -0.04 0.00 1.00 0.00 0.00 64.86 64.50 2k9a h ILE 108 Cb 0.02 2.56 -0.01 0.00 -0.74 0.00 0.00 36.82 38.66 2k9a h ILE 108 CO -0.05 0.43 -0.18 0.15 0.00 0.00 0.00 178.15 178.50 2k9a h PHE 109 N -0.58 0.00 -1.13 1.37 3.57 -1.45 -2.65 116.94 116.07 2k9a h PHE 109 Ca -0.00 0.00 0.33 0.00 3.53 0.00 0.00 57.97 61.82 2k9a h PHE 109 Cb 0.73 0.00 -0.05 0.00 2.79 0.00 0.00 35.95 39.42 2k9a h PHE 109 CO 0.16 0.18 0.83 0.22 -2.23 0.00 0.00 178.31 177.47 2k9a h ASP 110 N 0.00 0.00 0.04 0.41 3.58 -0.80 0.51 116.42 120.15 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 0.35 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.40 2k9a h ASP 110 CO 0.02 0.00 -0.02 -0.03 -2.88 0.00 0.00 179.24 176.34 2k9a h MET 111 N 0.00 -0.05 0.00 0.28 4.05 -1.63 -3.14 114.93 114.44 2k9a h MET 111 Ca 0.54 0.00 -0.02 0.00 -0.28 0.00 0.00 59.70 59.94 2k9a h MET 111 Cb 2.20 0.01 -0.00 0.00 -0.80 0.00 0.00 31.60 33.00 2k9a h MET 111 CO -0.01 0.50 -0.10 -0.07 0.23 0.00 0.00 176.91 177.46 2k9a h LEU 112 N -0.63 0.00 -1.90 3.39 3.38 -0.68 -2.80 115.31 116.06 2k9a h LEU 112 Ca -0.01 0.00 0.19 0.00 0.09 0.00 0.00 57.88 58.16 2k9a h LEU 112 Cb 0.57 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.29 2k9a h LEU 112 CO 0.01 0.10 0.60 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 -0.12 0.14 115.31 122.85 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 0.00 0.35 -0.34 0.00 0.00 178.44 178.46 2k9a n THR 114 N -3.89 0.00 0.23 1.05 -2.24 -1.06 -2.25 114.28 106.13 2k9a n THR 114 Ca 0.13 0.00 0.08 0.00 -2.27 0.00 0.00 64.05 61.99 2k9a n THR 114 Cb 0.85 -0.94 0.56 0.00 -2.10 0.00 0.00 70.33 68.70 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 -0.98 -3.39 116.94 117.40 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 0.00 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.15 2k9a h PHE 115 CO 0.00 0.19 0.00 0.25 -0.60 0.00 0.00 178.31 178.15 2k9a n THR 116 N -4.03 0.00 -2.28 -1.55 -2.24 -1.04 -5.01 114.28 98.13 2k9a n THR 116 Ca -0.02 0.00 -0.35 0.00 -2.27 0.00 0.00 64.05 61.41 2k9a n THR 116 Cb 0.27 0.00 -0.04 0.00 -2.10 0.00 0.00 70.33 68.46 2k9a n THR 116 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2k9a s ASP 117 N -1.59 5.74 0.56 3.42 2.15 -0.95 -4.80 116.67 121.19 2k9a s ASP 117 Ca 0.00 -0.70 0.26 0.00 0.43 0.00 0.00 52.55 52.54 2k9a s ASP 117 Cb 0.00 -2.56 1.63 0.00 -0.30 0.00 0.00 42.92 41.69 2k9a s ASP 117 CO 0.00 -2.16 2.20 0.15 -0.17 0.00 0.00 175.17 175.19 2k9a h PHE 118 N 11.31 0.00 -0.49 -5.34 3.57 -1.88 -1.66 116.94 122.44 2k9a h PHE 118 Ca 0.01 0.00 -0.09 0.00 3.53 0.00 0.00 57.97 61.42 2k9a h PHE 118 Cb 1.04 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 39.76 2k9a h PHE 118 CO 1.19 0.02 -0.06 -0.07 -2.23 0.00 0.00 178.31 177.16 2k9a h LEU 119 N 0.00 0.85 -0.33 0.59 -0.00 -1.98 -2.31 115.31 112.13 2k9a h LEU 119 Ca -0.00 -0.24 -0.19 0.00 -0.00 0.00 0.00 57.88 57.45 2k9a h LEU 119 Cb 0.05 -0.23 -0.01 0.00 -0.00 0.00 0.00 40.66 40.47 2k9a h LEU 119 CO 0.00 0.95 -0.84 0.00 -0.00 0.00 0.00 178.44 178.55 2k9a h ALA 120 N 1.14 0.57 0.35 1.53 0.00 -1.69 -2.55 119.26 118.61 2k9a h ALA 120 Ca 0.14 -0.70 -0.02 0.00 0.00 0.00 0.00 54.91 54.33 2k9a h ALA 120 Cb 0.56 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.27 2k9a h ALA 120 CO 0.03 0.90 -0.17 0.35 0.00 0.00 0.00 179.25 180.37 2k9a h PHE 121 N 0.10 -0.43 0.14 0.00 3.57 -1.24 -0.08 116.94 118.99 2k9a h PHE 121 Ca -0.04 -0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.45 2k9a h PHE 121 Cb 1.45 0.14 0.00 0.00 2.79 0.00 0.00 35.95 40.34 2k9a h PHE 121 CO 0.03 -0.16 -0.07 -0.22 -2.23 0.00 0.00 178.31 175.66 2k9a h LYS 122 N -0.65 -0.18 -0.21 1.11 3.64 -1.51 -2.49 116.57 116.29 2k9a h LYS 122 Ca -0.05 0.01 0.06 0.00 -1.27 0.00 0.00 60.65 59.40 2k9a h LYS 122 Cb 0.46 0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 32.32 2k9a h LYS 122 CO 0.08 -0.03 0.15 1.49 -2.27 0.00 0.00 179.45 178.87 2k9a h GLU 123 N -0.29 0.02 -0.19 1.90 4.81 -1.49 -1.81 114.58 117.54 2k9a h GLU 123 Ca -0.02 -0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.20 2k9a h GLU 123 Cb 0.23 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.59 2k9a h GLU 123 CO 0.03 0.02 0.08 1.98 -0.73 0.00 0.00 179.01 180.38 2k9a h MET 124 N 0.02 0.28 -0.62 1.92 4.05 -0.55 -1.86 114.93 118.17 2k9a h MET 124 Ca 0.10 -0.05 -0.06 0.00 -0.28 0.00 0.00 59.70 59.41 2k9a h MET 124 Cb 0.37 -0.05 -0.03 0.00 -0.80 0.00 0.00 31.60 31.10 2k9a h MET 124 CO -0.00 0.35 0.17 0.74 0.23 0.00 0.00 176.91 178.39 2k9a h PHE 125 N 0.15 1.02 -0.37 1.39 0.04 -1.10 -1.48 116.94 116.58 2k9a h PHE 125 Ca 0.06 -0.11 0.03 0.00 2.80 0.00 0.00 57.97 60.75 2k9a h PHE 125 Cb 0.17 -0.29 -0.04 0.00 2.20 0.00 0.00 35.95 38.00 2k9a h PHE 125 CO -0.01 0.85 0.16 -0.07 -0.60 0.00 0.00 178.31 178.64 2k9a h LEU 126 N 0.89 0.21 -0.69 1.54 4.07 -1.27 -1.46 115.31 118.61 2k9a h LEU 126 Ca 0.20 0.03 -0.06 0.00 0.08 0.00 0.00 57.88 58.13 2k9a h LEU 126 Cb 0.33 -0.01 -0.03 0.00 1.08 0.00 0.00 40.66 42.03 2k9a h LEU 126 CO -0.00 0.16 0.21 -0.78 -1.08 0.00 0.00 178.44 176.95 2k9a h ASP 127 N 0.34 1.02 -0.77 -0.43 3.58 -1.20 -2.35 116.42 116.62 2k9a h ASP 127 Ca 0.16 -0.21 0.07 0.00 0.42 0.00 0.00 57.03 57.47 2k9a h ASP 127 Cb 0.10 -0.27 -0.05 0.00 1.72 0.00 0.00 39.33 40.84 2k9a h ASP 127 CO -0.14 0.97 0.50 0.22 -2.88 0.00 0.00 179.24 177.91 2k9a h TYR 128 N 1.03 0.81 -0.20 0.28 3.20 -0.64 -0.88 116.97 120.56 2k9a h TYR 128 Ca 0.22 0.02 -0.16 0.00 3.14 0.00 0.00 58.73 61.95 2k9a h TYR 128 Cb 0.32 -0.26 -0.01 0.00 1.54 0.00 0.00 36.73 38.32 2k9a h TYR 128 CO 0.02 0.41 -0.53 -0.09 -1.64 0.00 0.00 178.16 176.33 2k9a h ARG 129 N 0.78 0.58 -0.37 1.82 2.43 -0.84 -3.01 114.38 115.78 2k9a h ARG 129 Ca 0.34 -0.36 -0.00 0.00 -0.81 0.00 0.00 59.98 59.14 2k9a h ARG 129 Cb 0.31 0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 29.88 2k9a h ARG 129 CO -0.12 0.97 0.21 0.00 -1.51 0.00 0.00 179.97 179.52 2k9a h ALA 130 N 0.96 1.68 -0.12 2.80 0.00 -0.67 -1.34 119.26 122.57 2k9a h ALA 130 Ca 0.01 -0.05 -0.10 0.00 0.00 0.00 0.00 54.91 54.77 2k9a h ALA 130 Cb 1.08 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.71 2k9a h ALA 130 CO 0.10 0.28 -0.38 0.93 0.00 0.00 0.00 179.25 180.18 2k9a h GLU 131 N 0.50 0.26 -0.70 0.00 5.08 -1.29 -2.37 114.58 116.06 2k9a h GLU 131 Ca 0.13 -0.11 -0.07 0.00 -1.00 0.00 0.00 59.36 58.30 2k9a h GLU 131 Cb 0.00 -0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.22 2k9a h GLU 131 CO -0.02 0.60 0.14 0.87 -1.00 0.00 0.00 179.01 179.60 2k9a h LYS 132 N 0.22 1.14 -0.00 2.33 1.79 -1.21 -2.17 116.57 118.66 2k9a h LYS 132 Ca 0.02 -0.29 0.00 0.00 -2.18 0.00 0.00 60.65 58.21 2k9a h LYS 132 Cb 0.77 -0.14 0.00 0.00 -1.58 0.00 0.00 32.23 31.28 2k9a h LYS 132 CO 0.06 1.01 -0.05 -0.85 -1.08 0.00 0.00 179.45 178.54 2k9a n GLU 133 N -4.22 0.07 0.17 3.15 0.28 -1.09 -3.39 120.64 115.60 2k9a n GLU 133 Ca 0.05 -0.01 0.04 0.00 -0.16 0.00 0.00 57.16 57.08 2k9a n GLU 133 Cb 0.28 -1.50 0.23 0.00 1.43 0.00 0.00 31.44 31.87 2k9a n GLU 133 CO 0.00 0.00 0.00 0.78 -0.16 0.00 0.00 177.13 177.75 2k9a h GLY 134 N 5.00 0.00 -5.43 -1.84 0.00 -0.85 -3.49 103.07 96.45 2k9a h GLY 134 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2k9a h GLY 134 CO 0.00 0.00 -1.07 -2.13 0.00 0.00 0.00 176.54 173.34 2k9a n ARG 135 N -3.44 -3.11 0.00 4.80 3.00 -1.22 -5.11 116.66 111.58 2k9a n ARG 135 Ca 0.00 2.52 0.00 0.00 -0.00 0.00 0.00 57.85 60.37 2k9a n ARG 135 Cb 0.59 -3.94 0.00 0.00 0.00 0.00 0.00 32.46 29.12 2k9a n ARG 135 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04