#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 0.61 -0.93 7.83 2.03 -1.26 -5.06 116.55 119.76 2k9a n ASP 2 Ca 0.00 -0.23 0.00 0.00 0.52 0.00 0.00 54.79 55.08 2k9a n ASP 2 Cb 0.00 0.42 0.00 0.00 -0.72 0.00 0.00 41.12 40.82 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 -1.64 0.00 -0.73 -1.67 0.00 -1.26 -4.80 120.51 110.41 2k9a n ALA 3 Ca 0.04 0.00 -0.29 0.00 0.00 0.00 0.00 53.44 53.19 2k9a n ALA 3 Cb 0.38 0.00 0.22 0.00 0.00 0.00 0.00 19.45 20.05 2k9a n ALA 3 CO 0.00 0.00 0.00 -0.48 0.00 0.00 0.00 177.50 177.02 2k9a s LEU 4 N 0.00 1.37 0.28 0.00 0.05 -1.26 -4.99 118.68 114.13 2k9a s LEU 4 Ca 0.00 1.56 0.00 0.00 0.05 0.00 0.00 54.13 55.74 2k9a s LEU 4 Cb 0.00 -3.62 0.00 0.00 -2.05 0.00 0.00 46.19 40.52 2k9a s LEU 4 CO 0.00 -3.74 0.00 1.21 -0.55 0.00 0.00 176.35 173.27 2k9a n GLU 5 N -4.61 0.00 0.00 1.48 0.00 -1.26 -5.18 120.64 111.07 2k9a n GLU 5 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.21 2k9a n GLU 5 Cb 0.54 0.00 0.00 0.00 0.00 0.00 0.00 31.44 31.98 2k9a n GLU 5 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 2k9a n GLY 6 N 0.05 0.22 3.77 8.31 0.00 -1.26 -5.05 105.19 111.24 2k9a n GLY 6 Ca 0.00 -2.06 -0.29 0.00 0.00 0.00 0.00 46.02 43.66 2k9a n GLY 6 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2k9a s GLU 7 N 0.00 1.41 -0.12 1.61 0.41 -1.26 -5.04 118.70 115.71 2k9a s GLU 7 Ca 0.00 0.48 -0.14 0.00 -0.41 0.00 0.00 54.97 54.91 2k9a s GLU 7 Cb 0.00 -1.85 -0.05 0.00 -1.78 0.00 0.00 34.13 30.45 2k9a s GLU 7 CO 0.00 -2.06 -0.26 0.43 -0.49 0.00 0.00 175.26 172.88 2k9a n SER 8 N -3.70 1.64 0.14 -0.19 7.64 -1.26 -5.04 113.62 112.84 2k9a n SER 8 Ca 0.07 0.27 0.00 0.00 1.01 0.00 0.00 58.87 60.22 2k9a n SER 8 Cb 0.58 -0.65 0.00 0.00 -1.01 0.00 0.00 64.21 63.13 2k9a n SER 8 CO 0.00 0.00 0.00 0.33 -3.01 0.00 0.00 175.04 172.36 2k9a n PHE 9 N -4.13 -2.63 -3.15 1.43 7.35 -1.26 -5.10 117.46 109.97 2k9a n PHE 9 Ca -0.11 0.58 0.04 0.00 -0.76 0.00 0.00 57.45 57.21 2k9a n PHE 9 Cb 0.39 1.14 -0.00 0.00 0.35 0.00 0.00 39.48 41.36 2k9a n PHE 9 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 2k9a s ALA 10 N -1.97 -2.63 0.22 3.13 0.00 -1.26 -5.16 121.76 114.09 2k9a s ALA 10 Ca 0.00 1.19 0.11 0.00 0.00 0.00 0.00 51.96 53.25 2k9a s ALA 10 Cb 0.00 -2.54 -0.04 0.00 0.00 0.00 0.00 23.12 20.53 2k9a s ALA 10 CO 0.00 -1.81 -0.16 -0.51 0.00 0.00 0.00 175.76 173.28 2k9a s LEU 11 N 2.85 2.72 0.00 0.00 1.02 -1.26 -5.02 118.68 118.99 2k9a s LEU 11 Ca 0.13 -0.79 0.30 0.00 0.02 0.00 0.00 54.13 53.79 2k9a s LEU 11 Cb -0.09 -1.36 1.42 0.00 0.02 0.00 0.00 46.19 46.17 2k9a s LEU 11 CO -0.25 0.08 1.96 -1.20 0.02 0.00 0.00 176.35 176.96 2k9a n SER 12 N -0.14 0.59 -4.69 2.29 7.64 -1.26 -4.82 113.62 113.24 2k9a n SER 12 Ca -0.10 -0.98 -0.41 0.00 1.01 0.00 0.00 58.87 58.40 2k9a n SER 12 Cb 0.57 -0.03 -0.04 0.00 -1.01 0.00 0.00 64.21 63.70 2k9a n SER 12 CO 0.00 0.00 0.00 0.12 -3.01 0.00 0.00 175.04 172.15 2k9a s PHE 13 N -2.18 3.50 -0.02 1.43 5.36 -1.26 -5.06 117.98 119.75 2k9a s PHE 13 Ca 0.38 1.23 0.08 0.00 -0.96 0.00 0.00 56.93 57.66 2k9a s PHE 13 Cb 0.21 -2.90 -0.02 0.00 -0.34 0.00 0.00 43.02 39.97 2k9a s PHE 13 CO 0.40 -0.08 -0.25 -1.54 -1.46 0.00 0.00 175.22 172.29 2k9a s SER 14 N 1.00 2.94 -0.07 6.13 1.04 -1.26 -5.02 113.70 118.46 2k9a s SER 14 Ca 0.37 -0.46 0.08 0.00 0.48 0.00 0.00 55.95 56.42 2k9a s SER 14 Cb -0.17 -0.38 -0.11 0.00 0.10 0.00 0.00 66.02 65.46 2k9a s SER 14 CO 0.15 0.30 0.05 -1.20 0.98 0.00 0.00 173.24 173.52 2k9a n SER 15 N 2.51 2.94 0.00 7.02 7.64 -1.26 -4.34 113.62 128.14 2k9a n SER 15 Ca -0.16 0.00 0.02 0.00 1.01 0.00 0.00 58.87 59.74 2k9a n SER 15 Cb 0.51 0.79 0.10 0.00 -1.01 0.00 0.00 64.21 64.60 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 -2.25 1.18 -1.19 -0.43 0.00 -1.26 0.31 120.51 116.87 2k9a n ALA 16 Ca -0.12 -0.01 0.06 0.00 0.00 0.00 0.00 53.44 53.37 2k9a n ALA 16 Cb 0.71 -1.07 0.08 0.00 0.00 0.00 0.00 19.45 19.17 2k9a n ALA 16 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 2k9a n SER 17 N -1.52 1.59 0.00 0.00 3.41 -1.26 -4.00 113.62 111.85 2k9a n SER 17 Ca 0.01 -2.59 0.00 0.00 -0.26 0.00 0.00 58.87 56.03 2k9a n SER 17 Cb 0.05 -0.30 0.00 0.00 -0.26 0.00 0.00 64.21 63.69 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 -0.90 0.00 0.20 4.04 8.00 -0.34 -4.89 116.55 122.66 2k9a n ASP 18 Ca 0.09 0.00 -0.12 0.00 0.71 0.00 0.00 54.79 55.47 2k9a n ASP 18 Cb 0.61 0.00 -0.07 0.00 -0.02 0.00 0.00 41.12 41.64 2k9a n ASP 18 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2k9a h ALA 19 N 1.28 -0.55 -0.86 2.24 0.00 -1.74 -2.36 119.26 117.26 2k9a h ALA 19 Ca 0.00 -0.18 0.04 0.00 0.00 0.00 0.00 54.91 54.77 2k9a h ALA 19 Cb 0.00 0.21 -0.05 0.00 0.00 0.00 0.00 17.79 17.95 2k9a h ALA 19 CO 0.00 -0.59 0.57 1.49 0.00 0.00 0.00 179.25 180.71 2k9a h GLU 20 N -0.99 1.01 0.14 0.00 4.81 -0.48 -2.36 114.58 116.72 2k9a h GLU 20 Ca -0.06 -0.06 -0.01 0.00 -0.13 0.00 0.00 59.36 59.11 2k9a h GLU 20 Cb 0.55 -0.23 0.00 0.00 0.63 0.00 0.00 28.75 29.70 2k9a h GLU 20 CO 0.09 0.67 -0.07 0.35 -0.73 0.00 0.00 179.01 179.33 2k9a h PHE 21 N 1.05 -0.18 -0.73 0.92 3.04 -1.48 -2.39 116.94 117.17 2k9a h PHE 21 Ca 0.35 -0.00 0.12 0.00 3.98 0.00 0.00 57.97 62.42 2k9a h PHE 21 Cb 0.08 0.06 -0.05 0.00 2.56 0.00 0.00 35.95 38.60 2k9a h PHE 21 CO -0.00 -0.08 0.48 0.22 -2.02 0.00 0.00 178.31 176.92 2k9a h ASP 22 N -0.23 0.47 -0.42 0.41 3.58 -1.01 -1.01 116.42 118.21 2k9a h ASP 22 Ca -0.02 0.02 -0.03 0.00 0.42 0.00 0.00 57.03 57.42 2k9a h ASP 22 Cb 0.18 -0.08 -0.02 0.00 1.72 0.00 0.00 39.33 41.13 2k9a h ASP 22 CO 0.03 0.27 0.16 0.00 -2.88 0.00 0.00 179.24 176.82 2k9a h ALA 23 N 1.64 0.55 -0.89 -0.78 0.00 -0.96 -2.49 119.26 116.34 2k9a h ALA 23 Ca 0.35 -0.15 -0.02 0.00 0.00 0.00 0.00 54.91 55.09 2k9a h ALA 23 Cb 0.65 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 18.23 2k9a h ALA 23 CO -0.12 0.16 0.47 0.28 0.00 0.00 0.00 179.25 180.04 2k9a h VAL 24 N 0.54 1.26 -0.77 0.00 2.07 -0.74 -2.40 116.25 116.20 2k9a h VAL 24 Ca 0.14 -0.67 0.05 0.00 0.82 0.00 0.00 66.70 67.04 2k9a h VAL 24 Cb 0.20 0.08 -0.05 0.00 -1.52 0.00 0.00 31.29 30.00 2k9a h VAL 24 CO -0.01 0.30 0.47 0.58 0.02 0.00 0.00 177.57 178.93 2k9a h VAL 25 N 1.25 1.06 -0.67 2.57 2.07 -1.09 -1.87 116.25 119.56 2k9a h VAL 25 Ca 0.31 -0.31 -0.01 0.00 0.82 0.00 0.00 66.70 67.51 2k9a h VAL 25 Cb 0.06 0.09 -0.03 0.00 -1.52 0.00 0.00 31.29 29.88 2k9a h VAL 25 CO -0.05 0.16 0.37 1.23 0.02 0.00 0.00 177.57 179.31 2k9a h GLY 26 N 0.89 1.00 1.23 2.17 0.00 -1.00 -2.33 103.07 105.04 2k9a h GLY 26 Ca 0.33 -0.45 0.02 0.00 0.00 0.00 0.00 47.33 47.22 2k9a h GLY 26 CO -0.15 0.43 0.49 -0.97 0.00 0.00 0.00 176.54 176.35 2k9a h TYR 27 N 0.92 0.92 -0.42 5.60 0.05 -0.99 -2.24 116.97 120.80 2k9a h TYR 27 Ca 0.24 0.02 -0.01 0.00 0.05 0.00 0.00 58.73 59.03 2k9a h TYR 27 Cb 0.03 -0.31 -0.02 0.00 1.01 0.00 0.00 36.73 37.44 2k9a h TYR 27 CO -0.01 0.56 0.22 -0.07 -1.05 0.00 0.00 178.16 177.81 2k9a h LEU 28 N 0.98 0.53 -0.66 3.88 3.38 -0.83 -2.32 115.31 120.27 2k9a h LEU 28 Ca 0.28 -0.10 0.06 0.00 0.09 0.00 0.00 57.88 58.20 2k9a h LEU 28 Cb -0.06 -0.14 -0.05 0.00 0.09 0.00 0.00 40.66 40.50 2k9a h LEU 28 CO -0.07 0.49 0.36 -0.33 0.09 0.00 0.00 178.44 178.98 2k9a h GLU 29 N 0.54 0.65 -0.22 1.13 5.08 -1.07 -0.41 114.58 120.28 2k9a h GLU 29 Ca 0.15 -0.04 -0.04 0.00 -1.00 0.00 0.00 59.36 58.43 2k9a h GLU 29 Cb 0.08 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.17 2k9a h GLU 29 CO -0.02 0.43 -0.04 -0.44 -1.00 0.00 0.00 179.01 177.94 2k9a h ASP 30 N 0.67 0.30 -0.12 1.42 3.32 -1.22 -2.09 116.42 118.70 2k9a h ASP 30 Ca 0.29 -0.05 -0.13 0.00 0.02 0.00 0.00 57.03 57.17 2k9a h ASP 30 Cb 0.19 -0.08 0.00 0.00 0.22 0.00 0.00 39.33 39.66 2k9a h ASP 30 CO -0.18 0.39 -0.43 0.40 -1.72 0.00 0.00 179.24 177.70 2k9a h ILE 31 N 0.32 1.37 -0.45 0.35 2.04 -0.69 -2.02 117.51 118.43 2k9a h ILE 31 Ca 0.07 -1.74 -0.03 0.00 1.00 0.00 0.00 64.86 64.16 2k9a h ILE 31 Cb 0.28 2.15 -0.02 0.00 -0.74 0.00 0.00 36.82 38.49 2k9a h ILE 31 CO 0.01 0.52 0.15 0.40 0.00 0.00 0.00 178.15 179.23 2k9a h ILE 32 N 0.09 1.18 -0.26 -0.67 2.04 -0.89 -1.52 117.51 117.49 2k9a h ILE 32 Ca -0.02 -0.61 0.00 0.00 1.00 0.00 0.00 64.86 65.23 2k9a h ILE 32 Cb 1.06 0.68 0.00 0.00 -0.74 0.00 0.00 36.82 37.82 2k9a h ILE 32 CO 0.09 0.23 0.00 0.23 0.00 0.00 0.00 178.15 178.70 2k9a n MET 33 N -4.34 1.96 -2.46 2.37 2.81 -0.81 -4.73 117.12 111.92 2k9a n MET 33 Ca 0.03 -1.45 -0.41 0.00 -1.81 0.00 0.00 57.70 54.06 2k9a n MET 33 Cb 0.17 -1.41 -0.04 0.00 -0.71 0.00 0.00 33.22 31.23 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 -1.47 7.18 0.12 7.83 -1.08 -0.57 -4.95 116.67 123.72 2k9a s ASP 34 Ca 0.33 2.10 -0.21 0.00 -0.52 0.00 0.00 52.55 54.25 2k9a s ASP 34 Cb 0.18 -2.60 -0.07 0.00 -1.46 0.00 0.00 42.92 38.98 2k9a s ASP 34 CO 0.27 -0.31 1.71 0.44 0.52 0.00 0.00 175.17 177.80 2k9a h ASP 35 N 5.53 -0.14 -0.26 -0.34 3.32 -1.89 -1.26 116.42 121.37 2k9a h ASP 35 Ca -0.44 0.04 0.08 0.00 0.02 0.00 0.00 57.03 56.73 2k9a h ASP 35 Cb 1.21 0.09 -0.01 0.00 0.22 0.00 0.00 39.33 40.84 2k9a h ASP 35 CO 0.75 -0.05 0.21 -0.08 -1.72 0.00 0.00 179.24 178.35 2k9a h GLU 36 N -0.01 0.00 -0.03 3.56 4.57 -1.93 -0.75 114.58 119.99 2k9a h GLU 36 Ca 0.07 0.00 -0.23 0.00 -1.18 0.00 0.00 59.36 58.01 2k9a h GLU 36 Cb 0.11 0.00 0.01 0.00 -0.16 0.00 0.00 28.75 28.71 2k9a h GLU 36 CO -0.14 0.00 -0.92 0.35 -1.18 0.00 0.00 179.01 177.12 2k9a h PHE 37 N 0.00 0.79 -0.50 0.92 3.57 -1.51 -2.33 116.94 117.89 2k9a h PHE 37 Ca 0.12 -0.41 -0.07 0.00 3.53 0.00 0.00 57.97 61.15 2k9a h PHE 37 Cb 0.55 -0.10 -0.02 0.00 2.79 0.00 0.00 35.95 39.17 2k9a h PHE 37 CO 0.00 1.23 0.04 1.96 -2.23 0.00 0.00 178.31 179.30 2k9a h GLN 38 N 0.33 0.85 -0.34 1.11 4.20 -0.37 -0.45 115.11 120.43 2k9a h GLN 38 Ca -0.08 -0.25 -0.14 0.00 0.06 0.00 0.00 58.65 58.24 2k9a h GLN 38 Cb 1.55 -0.09 -0.01 0.00 0.30 0.00 0.00 27.48 29.24 2k9a h GLN 38 CO 0.17 0.87 -0.33 1.25 -0.67 0.00 0.00 178.83 180.12 2k9a h LEU 39 N 0.72 0.80 -0.58 1.46 6.46 -1.45 -2.19 115.31 120.53 2k9a h LEU 39 Ca 0.14 -0.34 -0.12 0.00 -0.12 0.00 0.00 57.88 57.44 2k9a h LEU 39 Cb 0.46 -0.22 -0.01 0.00 -0.73 0.00 0.00 40.66 40.16 2k9a h LEU 39 CO 0.02 1.06 -0.22 0.25 -0.62 0.00 0.00 178.44 178.94 2k9a h LEU 40 N 0.64 0.93 0.26 2.25 5.85 -1.26 -1.50 115.31 122.49 2k9a h LEU 40 Ca 0.07 -0.34 -0.01 0.00 0.84 0.00 0.00 57.88 58.43 2k9a h LEU 40 Cb 0.87 -0.26 0.00 0.00 0.37 0.00 0.00 40.66 41.65 2k9a h LEU 40 CO 0.08 1.11 -0.12 -0.61 -0.34 0.00 0.00 178.44 178.55 2k9a h GLN 41 N 0.79 -0.34 -0.22 1.25 4.15 -0.99 -2.59 115.11 117.17 2k9a h GLN 41 Ca 0.11 0.02 -0.02 0.00 0.77 0.00 0.00 58.65 59.53 2k9a h GLN 41 Cb 0.77 0.08 -0.01 0.00 0.21 0.00 0.00 27.48 28.52 2k9a h GLN 41 CO 0.06 -0.02 0.06 -0.09 -1.93 0.00 0.00 178.83 176.91 2k9a h ARG 42 N -0.67 0.30 -0.29 1.69 2.43 -1.43 -0.13 114.38 116.28 2k9a h ARG 42 Ca -0.04 -0.04 -0.02 0.00 -0.81 0.00 0.00 59.98 59.08 2k9a h ARG 42 Cb 0.47 -0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 29.95 2k9a h ARG 42 CO 0.06 0.28 0.09 -0.97 -1.51 0.00 0.00 179.97 177.93 2k9a h ASN 43 N 0.31 0.41 0.27 -3.80 -0.73 -1.19 -2.05 115.58 108.81 2k9a h ASN 43 Ca 0.08 -0.20 -0.27 0.00 1.87 0.00 0.00 56.30 57.78 2k9a h ASN 43 Cb 0.11 -0.11 0.02 0.00 0.27 0.00 0.00 38.32 38.61 2k9a h ASN 43 CO -0.00 0.50 -1.15 2.19 -0.37 0.00 0.00 177.43 178.59 2k9a h PHE 44 N 0.31 0.81 0.00 0.67 -5.15 -1.14 -3.23 116.94 109.21 2k9a h PHE 44 Ca 0.09 -0.50 -0.02 0.00 -0.20 0.00 0.00 57.97 57.34 2k9a h PHE 44 Cb 0.23 -0.07 -0.00 0.00 0.22 0.00 0.00 35.95 36.33 2k9a h PHE 44 CO 0.00 1.35 -0.09 0.52 -2.00 0.00 0.00 178.31 178.09 2k9a h MET 45 N 0.23 0.00 -0.19 6.09 2.86 -1.01 -1.96 114.93 120.96 2k9a h MET 45 Ca -0.15 0.00 0.03 0.00 -2.06 0.00 0.00 59.70 57.52 2k9a h MET 45 Cb 1.82 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 33.47 2k9a h MET 45 CO 0.21 0.09 0.13 0.22 1.06 0.00 0.00 176.91 178.62 2k9a h ASP 46 N 0.00 0.11 0.00 1.22 3.58 -1.38 -1.06 116.42 118.89 2k9a h ASP 46 Ca -0.00 -0.00 -0.19 0.00 0.42 0.00 0.00 57.03 57.25 2k9a h ASP 46 Cb 0.18 -0.03 -0.03 0.00 1.72 0.00 0.00 39.33 41.18 2k9a h ASP 46 CO 0.01 0.08 -1.26 1.17 -2.88 0.00 0.00 179.24 176.36 2k9a n LYS 47 N -4.50 0.54 -0.23 0.28 3.00 -0.78 -4.13 118.16 112.33 2k9a n LYS 47 Ca 0.01 0.48 0.02 0.00 -0.00 0.00 0.00 58.31 58.82 2k9a n LYS 47 Cb 0.17 -1.66 0.14 0.00 0.00 0.00 0.00 35.03 33.68 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 0.47 0.00 5.64 -1.99 -1.42 0.52 116.97 119.20 2k9a h TYR 48 Ca -0.29 0.03 -0.00 0.00 2.00 0.00 0.00 58.73 60.47 2k9a h TYR 48 Cb 1.12 -0.11 -0.00 0.00 2.00 0.00 0.00 36.73 39.75 2k9a h TYR 48 CO -0.06 0.11 -0.00 0.10 -0.00 0.00 0.00 178.16 178.31 2k9a h TYR 49 N 0.45 0.00 0.00 4.88 -0.00 -1.41 -1.23 116.97 119.66 2k9a h TYR 49 Ca 0.35 0.00 -0.03 0.00 -0.00 0.00 0.00 58.73 59.05 2k9a h TYR 49 Cb 0.46 0.00 -0.00 0.00 -0.00 0.00 0.00 36.73 37.18 2k9a h TYR 49 CO -0.16 0.00 -0.19 -0.07 -0.00 0.00 0.00 178.16 177.75 2k9a h LEU 50 N 0.00 0.00 -0.87 0.10 3.38 -1.07 -3.36 115.31 113.49 2k9a h LEU 50 Ca -0.00 -0.75 -0.05 0.00 0.09 0.00 0.00 57.88 57.17 2k9a h LEU 50 Cb 0.20 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.92 2k9a h LEU 50 CO 0.00 0.98 0.21 1.05 0.09 0.00 0.00 178.44 180.78 2k9a h GLU 51 N -1.00 1.05 -5.68 1.13 4.11 -1.26 -3.38 114.58 109.55 2k9a h GLU 51 Ca -0.05 -0.21 -0.28 0.00 0.07 0.00 0.00 59.36 58.89 2k9a h GLU 51 Cb 0.87 -0.16 -0.03 0.00 0.50 0.00 0.00 28.75 29.93 2k9a h GLU 51 CO -0.03 0.89 0.74 -0.06 0.07 0.00 0.00 179.01 180.62 2k9a s PHE 52 N -5.37 1.61 0.04 2.06 0.40 -0.48 -4.94 117.98 111.31 2k9a s PHE 52 Ca -0.11 0.98 -0.00 0.00 -0.60 0.00 0.00 56.93 57.19 2k9a s PHE 52 Cb 0.15 -3.90 -0.04 0.00 0.51 0.00 0.00 43.02 39.74 2k9a s PHE 52 CO 0.83 -1.84 0.19 -1.21 0.70 0.00 0.00 175.22 173.89 2k9a s GLU 53 N 7.46 3.40 -1.08 0.44 0.41 -1.26 -4.88 118.70 123.19 2k9a s GLU 53 Ca 0.76 -0.43 -0.23 0.00 -0.41 0.00 0.00 54.97 54.66 2k9a s GLU 53 Cb -0.09 -3.03 -0.07 0.00 -1.78 0.00 0.00 34.13 29.16 2k9a s GLU 53 CO 0.06 0.62 1.93 0.16 -0.49 0.00 0.00 175.26 177.54 2k9a s ASP 54 N -2.35 5.12 0.16 -0.19 -4.77 -1.26 -4.90 116.67 108.48 2k9a s ASP 54 Ca 0.33 -1.31 0.09 0.00 -3.30 0.00 0.00 52.55 48.36 2k9a s ASP 54 Cb -0.13 -2.58 -0.04 0.00 -1.09 0.00 0.00 42.92 39.08 2k9a s ASP 54 CO 0.25 -2.90 -0.20 0.42 0.70 0.00 0.00 175.17 173.43 2k9a s THR 55 N 10.48 1.95 -0.15 2.11 -4.23 -1.26 -5.04 115.64 119.50 2k9a s THR 55 Ca 0.68 -1.87 0.22 0.00 -1.18 0.00 0.00 61.69 59.54 2k9a s THR 55 Cb -0.03 -1.87 -0.15 0.00 1.34 0.00 0.00 72.50 71.80 2k9a s THR 55 CO 0.08 -0.20 0.79 -1.84 -0.54 0.00 0.00 174.62 172.90 2k9a n GLU 56 N 0.45 0.63 -2.62 3.99 0.28 -1.26 -4.93 120.64 117.18 2k9a n GLU 56 Ca -0.14 0.00 -0.35 0.00 -0.16 0.00 0.00 57.16 56.51 2k9a n GLU 56 Cb 0.56 -1.70 -0.05 0.00 1.43 0.00 0.00 31.44 31.68 2k9a n GLU 56 CO 0.00 0.00 0.00 -2.00 -0.16 0.00 0.00 177.13 174.97 2k9a s GLU 57 N -3.37 4.13 -0.25 3.44 2.12 -1.26 -5.03 118.70 118.48 2k9a s GLU 57 Ca -0.04 1.38 -0.14 0.00 0.36 0.00 0.00 54.97 56.53 2k9a s GLU 57 Cb 0.11 -2.39 -0.04 0.00 0.26 0.00 0.00 34.13 32.07 2k9a s GLU 57 CO 0.84 -0.15 0.33 1.21 -0.54 0.00 0.00 175.26 176.95 2k9a s ASN 58 N -1.79 6.26 0.08 -1.70 3.84 -1.26 -5.08 114.94 115.29 2k9a s ASN 58 Ca 0.60 0.29 0.03 0.00 0.21 0.00 0.00 52.86 54.00 2k9a s ASN 58 Cb -0.18 -2.19 -0.04 0.00 -0.55 0.00 0.00 41.25 38.29 2k9a s ASN 58 CO 0.22 -0.11 0.06 -0.54 -2.79 0.00 0.00 177.10 173.95 2k9a s LYS 59 N 1.70 2.81 0.00 0.43 1.02 -1.26 -5.00 119.74 119.44 2k9a s LYS 59 Ca 0.14 -0.72 0.29 0.00 0.02 0.00 0.00 55.97 55.70 2k9a s LYS 59 Cb -0.15 -2.69 1.29 0.00 -0.52 0.00 0.00 37.83 35.76 2k9a s LYS 59 CO 0.09 0.56 1.94 -0.11 -0.92 0.00 0.00 175.35 176.91 2k9a n LEU 60 N 0.51 0.00 0.24 3.17 7.94 -1.26 -3.30 117.00 124.30 2k9a n LEU 60 Ca -0.09 0.44 0.16 0.00 -1.11 0.00 0.00 56.01 55.41 2k9a n LEU 60 Cb 0.52 -0.44 0.75 0.00 0.53 0.00 0.00 43.42 44.77 2k9a n LEU 60 CO 0.43 -0.01 0.98 -0.29 -1.11 0.00 0.00 177.39 177.39 2k9a h ILE 61 N 0.00 0.00 0.00 1.96 6.09 -2.03 -1.95 117.51 121.59 2k9a h ILE 61 Ca 0.00 -0.24 0.00 0.00 -1.37 0.00 0.00 64.86 63.25 2k9a h ILE 61 Cb 0.43 1.09 0.00 0.00 0.47 0.00 0.00 36.82 38.81 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 0.05 2.19 0.05 -1.99 -2.78 116.97 114.50 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 0.27 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.01 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 1.16 -0.46 -2.88 2.02 -1.62 -2.53 112.91 108.60 2k9a h THR 63 Ca 0.00 -1.61 -0.09 0.00 0.77 0.00 0.00 66.41 65.49 2k9a h THR 63 Cb 0.40 2.08 -0.02 0.00 -1.74 0.00 0.00 68.15 68.87 2k9a h THR 63 CO 0.00 0.35 -0.06 1.55 0.37 0.00 0.00 175.52 177.73 2k9a h PRO 64 N -0.90 0.79 -0.21 6.66 0.13 -1.72 -2.56 132.00 134.20 2k9a h PRO 64 Ca -0.01 -0.24 -0.01 0.00 -0.87 0.00 0.00 66.00 64.87 2k9a h PRO 64 Cb 0.63 -0.08 -0.01 0.00 0.13 0.00 0.00 31.00 31.67 2k9a h PRO 64 CO 0.01 0.84 0.09 0.82 -0.23 0.00 0.00 178.00 179.53 2k9a h ILE 65 N 0.73 1.16 -0.41 -3.56 2.04 -1.62 -2.30 117.51 113.56 2k9a h ILE 65 Ca 0.13 -0.49 0.04 0.00 1.00 0.00 0.00 64.86 65.54 2k9a h ILE 65 Cb 0.53 1.09 -0.04 0.00 -0.74 0.00 0.00 36.82 37.66 2k9a h ILE 65 CO 0.03 0.16 0.19 0.15 0.00 0.00 0.00 178.15 178.68 2k9a h PHE 66 N 0.20 0.34 -0.57 1.37 3.57 -1.35 -1.35 116.94 119.15 2k9a h PHE 66 Ca 0.07 0.02 0.06 0.00 3.53 0.00 0.00 57.97 61.65 2k9a h PHE 66 Cb 0.17 -0.09 -0.03 0.00 2.79 0.00 0.00 35.95 38.78 2k9a h PHE 66 CO -0.01 0.17 0.38 -0.91 -2.23 0.00 0.00 178.31 175.70 2k9a h ASN 67 N 0.38 0.49 -0.40 0.41 2.35 -1.32 -1.33 115.58 116.15 2k9a h ASN 67 Ca 0.18 0.00 -0.15 0.00 -0.55 0.00 0.00 56.30 55.78 2k9a h ASN 67 Cb 0.11 -0.11 -0.01 0.00 0.05 0.00 0.00 38.32 38.36 2k9a h ASN 67 CO -0.14 0.32 -0.32 -0.08 -1.65 0.00 0.00 177.43 175.56 2k9a h GLU 68 N 0.56 0.95 -0.70 0.81 4.57 -0.69 -1.94 114.58 118.13 2k9a h GLU 68 Ca 0.24 -0.46 -0.06 0.00 -1.18 0.00 0.00 59.36 57.91 2k9a h GLU 68 Cb 0.26 -0.00 -0.03 0.00 -0.16 0.00 0.00 28.75 28.81 2k9a h GLU 68 CO -0.07 1.12 0.22 -0.92 -1.18 0.00 0.00 179.01 178.18 2k9a h TYR 69 N 0.79 1.11 0.00 0.92 3.20 -0.38 0.21 116.97 122.82 2k9a h TYR 69 Ca 0.08 -0.10 -0.13 0.00 3.14 0.00 0.00 58.73 61.72 2k9a h TYR 69 Cb 0.91 -0.32 -0.02 0.00 1.54 0.00 0.00 36.73 38.84 2k9a h TYR 69 CO 0.06 0.88 -0.61 0.82 -1.64 0.00 0.00 178.16 177.66 2k9a h ILE 70 N 1.03 1.34 0.00 1.81 1.08 -1.27 -0.55 117.51 120.94 2k9a h ILE 70 Ca 0.23 -2.17 -0.21 0.00 -0.39 0.00 0.00 64.86 62.32 2k9a h ILE 70 Cb 0.29 2.20 -0.03 0.00 -3.07 0.00 0.00 36.82 36.21 2k9a h ILE 70 CO -0.01 0.60 -1.22 -1.28 -0.69 0.00 0.00 178.15 175.55 2k9a h SER 71 N 0.00 0.00 0.00 1.72 0.87 -0.96 -1.82 113.55 113.36 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 1.15 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.11 2k9a h SER 71 CO 0.08 0.83 -0.33 -0.11 -0.53 0.00 0.00 176.83 176.77 2k9a n LEU 72 N -3.14 1.05 0.09 2.23 -0.00 0.71 -4.21 117.00 113.73 2k9a n LEU 72 Ca -0.07 0.44 -0.04 0.00 -0.00 0.00 0.00 56.01 56.34 2k9a n LEU 72 Cb 0.92 -0.71 -0.02 0.00 -0.00 0.00 0.00 43.42 43.61 2k9a n LEU 72 CO 0.44 -0.47 0.14 0.58 -0.00 0.00 0.00 177.39 178.08 2k9a h VAL 73 N -0.58 0.00 -0.75 1.96 2.07 -1.31 -2.56 116.25 115.08 2k9a h VAL 73 Ca 0.00 -0.59 0.13 0.00 0.82 0.00 0.00 66.70 67.06 2k9a h VAL 73 Cb 0.33 0.00 -0.09 0.00 -1.52 0.00 0.00 31.29 30.01 2k9a h VAL 73 CO 0.00 0.00 0.33 -0.08 0.02 0.00 0.00 177.57 177.84 2k9a h GLU 74 N -0.88 0.49 -0.72 1.57 4.22 -1.54 -0.30 114.58 117.41 2k9a h GLU 74 Ca -0.03 -0.03 -0.03 0.00 0.08 0.00 0.00 59.36 59.35 2k9a h GLU 74 Cb 0.22 -0.11 -0.03 0.00 0.50 0.00 0.00 28.75 29.33 2k9a h GLU 74 CO 0.05 0.32 0.35 -0.22 -2.18 0.00 0.00 179.01 177.33 2k9a h LYS 75 N 0.50 1.03 -0.61 1.92 3.64 -1.46 -2.65 116.57 118.95 2k9a h LYS 75 Ca 0.40 -0.15 0.10 0.00 -1.27 0.00 0.00 60.65 59.73 2k9a h LYS 75 Cb 0.57 -0.19 -0.08 0.00 -0.41 0.00 0.00 32.23 32.12 2k9a h LYS 75 CO -0.36 0.81 0.21 -0.92 -2.27 0.00 0.00 179.45 176.91 2k9a h TYR 76 N 1.00 0.36 -0.58 1.91 3.20 -0.62 -1.31 116.97 120.93 2k9a h TYR 76 Ca 0.25 0.03 -0.03 0.00 3.14 0.00 0.00 58.73 62.12 2k9a h TYR 76 Cb 0.11 -0.07 -0.03 0.00 1.54 0.00 0.00 36.73 38.29 2k9a h TYR 76 CO 0.01 0.07 0.26 0.82 -1.64 0.00 0.00 178.16 177.67 2k9a h ILE 77 N 0.37 1.22 -0.05 1.81 2.04 -1.17 -2.56 117.51 119.17 2k9a h ILE 77 Ca 0.31 -0.64 0.02 0.00 1.00 0.00 0.00 64.86 65.55 2k9a h ILE 77 Cb 0.41 0.56 -0.02 0.00 -0.74 0.00 0.00 36.82 37.04 2k9a h ILE 77 CO -0.33 0.25 -0.05 -0.08 0.00 0.00 0.00 178.15 177.94 2k9a h GLU 78 N 0.79 -0.07 -0.69 2.37 4.81 -0.98 -2.47 114.58 118.34 2k9a h GLU 78 Ca 0.20 0.00 0.04 0.00 -0.13 0.00 0.00 59.36 59.47 2k9a h GLU 78 Cb 0.15 0.01 -0.05 0.00 0.63 0.00 0.00 28.75 29.50 2k9a h GLU 78 CO -0.02 -0.04 0.43 0.93 -0.73 0.00 0.00 179.01 179.57 2k9a h GLU 79 N -0.07 0.80 -0.93 1.92 5.08 -1.19 0.15 114.58 120.34 2k9a h GLU 79 Ca 0.04 -0.05 0.05 0.00 -1.00 0.00 0.00 59.36 58.40 2k9a h GLU 79 Cb 0.12 -0.18 -0.06 0.00 0.50 0.00 0.00 28.75 29.13 2k9a h GLU 79 CO -0.09 0.53 0.60 1.96 -1.00 0.00 0.00 179.01 181.01 2k9a h GLN 80 N 0.82 1.09 0.01 2.33 1.08 -1.19 -2.00 115.11 117.26 2k9a h GLN 80 Ca 0.29 -0.07 -0.20 0.00 -1.45 0.00 0.00 58.65 57.22 2k9a h GLN 80 Cb 0.06 -0.25 -0.02 0.00 -0.05 0.00 0.00 27.48 27.22 2k9a h GLN 80 CO -0.12 0.72 -0.92 -0.07 -0.95 0.00 0.00 178.83 177.50 2k9a h LEU 81 N 1.13 0.09 -1.48 1.46 3.38 -0.97 -3.21 115.31 115.71 2k9a h LEU 81 Ca 0.38 -0.08 -0.04 0.00 0.09 0.00 0.00 57.88 58.23 2k9a h LEU 81 Cb 0.07 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 40.79 2k9a h LEU 81 CO -0.14 0.96 -0.21 -0.07 0.09 0.00 0.00 178.44 179.07 2k9a h LEU 82 N 0.03 0.00 -2.86 1.67 3.38 -0.31 0.04 115.31 117.26 2k9a h LEU 82 Ca -0.03 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.94 2k9a h LEU 82 Cb 1.59 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.34 2k9a h LEU 82 CO 0.13 0.21 -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 -1.39 -2.83 115.11 116.23 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 0.57 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.35 2k9a h GLN 83 CO 0.03 0.00 -0.79 0.54 -0.67 0.00 0.00 178.83 177.94 2k9a n ARG 84 N -3.26 1.33 -3.58 1.46 1.74 -1.01 -4.92 116.66 108.42 2k9a n ARG 84 Ca -0.03 0.00 -0.29 0.00 -0.77 0.00 0.00 57.85 56.76 2k9a n ARG 84 Cb 0.08 -0.89 -0.12 0.00 -1.02 0.00 0.00 32.46 30.51 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 -1.69 0.81 -1.87 0.55 1.01 -0.03 -4.96 121.20 115.02 2k9a s ILE 85 Ca 0.00 -2.25 0.18 0.00 0.00 0.00 0.00 60.65 58.58 2k9a s ILE 85 Cb 0.00 -1.57 0.47 0.00 0.01 0.00 0.00 42.46 41.37 2k9a s ILE 85 CO 0.00 -0.97 1.50 -0.81 0.00 0.00 0.00 174.94 174.66 2k9a n PRO 86 N 3.65 0.50 -0.25 2.79 -0.04 -1.20 -2.10 135.00 138.36 2k9a n PRO 86 Ca 0.12 0.03 0.07 0.00 -0.04 0.00 0.00 63.50 63.68 2k9a n PRO 86 Cb 0.37 -1.50 0.18 0.00 -0.04 0.00 0.00 33.50 32.51 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 -1.06 2.59 -2.62 0.54 0.28 -1.26 -5.02 120.64 114.08 2k9a n GLU 87 Ca 0.13 -2.44 -0.40 0.00 -0.16 0.00 0.00 57.16 54.29 2k9a n GLU 87 Cb 0.08 -1.54 -0.05 0.00 1.43 0.00 0.00 31.44 31.36 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 -2.18 3.76 -0.31 -1.84 5.36 -0.89 -5.03 117.98 116.84 2k9a s PHE 88 Ca 0.30 1.80 0.03 0.00 -0.96 0.00 0.00 56.93 58.11 2k9a s PHE 88 Cb 0.24 -3.11 0.09 0.00 -0.34 0.00 0.00 43.02 39.89 2k9a s PHE 88 CO 0.08 -0.04 0.02 1.21 -1.46 0.00 0.00 175.22 175.03 2k9a s ASN 89 N -1.10 4.51 0.51 6.13 3.84 -1.26 -4.98 114.94 122.59 2k9a s ASN 89 Ca 0.44 -1.87 0.18 0.00 0.21 0.00 0.00 52.86 51.83 2k9a s ASN 89 Cb -0.28 -1.45 1.26 0.00 -0.55 0.00 0.00 41.25 40.23 2k9a s ASN 89 CO 0.35 -0.34 2.07 -0.03 -2.79 0.00 0.00 177.10 176.36 2k9a h MET 90 N 7.74 0.08 0.10 0.43 1.85 -1.98 -0.31 114.93 122.84 2k9a h MET 90 Ca -0.09 -0.00 -0.00 0.00 -0.61 0.00 0.00 59.70 58.99 2k9a h MET 90 Cb 1.03 -0.02 0.00 0.00 0.43 0.00 0.00 31.60 33.04 2k9a h MET 90 CO 0.49 0.05 -0.05 0.00 -0.40 0.00 0.00 176.91 177.01 2k9a h ALA 91 N 1.85 -0.13 0.00 0.39 0.00 -2.00 -2.51 119.26 116.86 2k9a h ALA 91 Ca 0.13 -0.24 -0.06 0.00 0.00 0.00 0.00 54.91 54.75 2k9a h ALA 91 Cb 0.42 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 2k9a h ALA 91 CO -0.01 -0.32 -0.26 0.00 0.00 0.00 0.00 179.25 178.66 2k9a h ALA 92 N 0.16 1.15 0.05 0.00 0.00 -1.91 -2.72 119.26 115.99 2k9a h ALA 92 Ca -0.01 -0.24 -0.00 0.00 0.00 0.00 0.00 54.91 54.66 2k9a h ALA 92 Cb 0.51 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.26 2k9a h ALA 92 CO 0.02 0.33 -0.03 0.35 0.00 0.00 0.00 179.25 179.92 2k9a h PHE 93 N 0.00 -0.07 -0.44 0.00 3.57 -1.07 -2.59 116.94 116.34 2k9a h PHE 93 Ca -0.00 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.50 2k9a h PHE 93 Cb 0.65 0.02 -0.02 0.00 2.79 0.00 0.00 35.95 39.39 2k9a h PHE 93 CO 0.00 0.45 0.28 1.79 -2.23 0.00 0.00 178.31 178.60 2k9a h THR 94 N -0.63 1.13 -0.31 4.41 1.35 -1.42 0.19 112.91 117.62 2k9a h THR 94 Ca -0.01 -0.26 0.03 0.00 -0.55 0.00 0.00 66.41 65.63 2k9a h THR 94 Cb 0.55 0.50 -0.03 0.00 -1.73 0.00 0.00 68.15 67.44 2k9a h THR 94 CO 0.01 0.12 0.12 0.74 -0.25 0.00 0.00 175.52 176.26 2k9a h THR 95 N 0.59 0.93 0.00 6.82 2.02 -1.56 -1.99 112.91 119.72 2k9a h THR 95 Ca 0.16 -0.09 -0.11 0.00 0.77 0.00 0.00 66.41 67.14 2k9a h THR 95 Cb -0.04 0.65 -0.02 0.00 -1.74 0.00 0.00 68.15 67.00 2k9a h THR 95 CO -0.03 0.05 -0.52 0.74 0.37 0.00 0.00 175.52 176.12 2k9a h THR 96 N 0.26 1.34 -0.60 3.16 2.02 -1.25 -3.05 112.91 114.80 2k9a h THR 96 Ca 0.14 -1.82 -0.03 0.00 0.77 0.00 0.00 66.41 65.47 2k9a h THR 96 Cb 0.09 1.99 -0.03 0.00 -1.74 0.00 0.00 68.15 68.46 2k9a h THR 96 CO -0.13 0.51 0.25 0.25 0.37 0.00 0.00 175.52 176.77 2k9a h LEU 97 N 0.00 0.79 -1.46 2.58 6.46 0.07 -2.31 115.31 121.44 2k9a h LEU 97 Ca -0.01 -0.10 0.22 0.00 -0.12 0.00 0.00 57.88 57.88 2k9a h LEU 97 Cb 0.95 -0.20 -0.08 0.00 -0.73 0.00 0.00 40.66 40.60 2k9a h LEU 97 CO 0.07 0.70 0.63 1.56 -0.62 0.00 0.00 178.44 180.78 2k9a h GLN 98 N 0.86 0.40 0.21 1.25 4.20 -1.29 0.32 115.11 121.04 2k9a h GLN 98 Ca 0.20 -0.02 -0.32 0.00 0.06 0.00 0.00 58.65 58.57 2k9a h GLN 98 Cb 0.16 -0.09 0.02 0.00 0.30 0.00 0.00 27.48 27.87 2k9a h GLN 98 CO -0.02 0.26 -1.49 0.45 -0.67 0.00 0.00 178.83 177.37 2k9a h HIS 99 N 0.41 0.81 0.00 2.96 3.86 -1.59 -3.24 115.15 118.36 2k9a h HIS 99 Ca 0.51 -0.59 0.00 0.00 -1.16 0.00 0.00 60.37 59.13 2k9a h HIS 99 Cb 1.29 -0.03 0.00 0.00 1.06 0.00 0.00 27.41 29.72 2k9a h HIS 99 CO -0.00 1.57 0.00 0.72 0.86 0.00 0.00 177.93 181.08 2k9a n HIS 100 N -3.75 0.00 0.30 2.45 8.25 -0.05 -2.63 115.22 119.79 2k9a n HIS 100 Ca -0.20 0.00 0.18 0.00 -0.26 0.00 0.00 57.72 57.44 2k9a n HIS 100 Cb 1.05 -0.13 0.81 0.00 1.12 0.00 0.00 29.99 32.84 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 -0.50 -0.56 116.57 118.74 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 0.07 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.89 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 -2.87 0.49 -0.01 4.20 -0.08 -1.08 -4.21 116.55 112.99 2k9a n ASP 102 Ca -0.01 0.57 -0.03 0.00 -1.51 0.00 0.00 54.79 53.81 2k9a n ASP 102 Cb 0.19 -0.69 -0.01 0.00 2.34 0.00 0.00 41.12 42.95 2k9a n ASP 102 CO 0.00 0.00 0.00 -0.62 0.12 0.00 0.00 177.20 176.70 2k9a n GLU 103 N -1.98 0.19 -0.88 -0.67 1.02 -0.41 -5.05 120.64 112.87 2k9a n GLU 103 Ca 0.05 0.07 -0.32 0.00 -0.02 0.00 0.00 57.16 56.94 2k9a n GLU 103 Cb 0.34 -0.78 0.15 0.00 -0.02 0.00 0.00 31.44 31.13 2k9a n GLU 103 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 2k9a s VAL 104 N -2.15 2.06 -0.34 2.62 0.11 -0.36 -4.81 120.40 117.53 2k9a s VAL 104 Ca -0.10 0.02 -0.30 0.00 -2.93 0.00 0.00 61.98 58.67 2k9a s VAL 104 Cb 0.01 -2.21 -0.08 0.00 -1.53 0.00 0.00 36.38 32.58 2k9a s VAL 104 CO 0.15 -0.02 2.28 0.00 -3.33 0.00 0.00 175.10 174.18 2k9a n ALA 105 N -3.83 1.35 0.22 1.54 0.00 -1.26 -4.77 120.51 113.76 2k9a n ALA 105 Ca 0.13 -0.35 0.06 0.00 0.00 0.00 0.00 53.44 53.28 2k9a n ALA 105 Cb 0.51 -2.87 0.56 0.00 0.00 0.00 0.00 19.45 17.65 2k9a n ALA 105 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 2k9a h GLY 106 N 15.28 0.06 1.02 0.00 0.00 -1.88 -2.37 103.07 115.19 2k9a h GLY 106 Ca -0.33 -0.03 -0.06 0.00 0.00 0.00 0.00 47.33 46.91 2k9a h GLY 106 CO 1.03 0.03 0.13 -1.80 0.00 0.00 0.00 176.54 175.93 2k9a h ASP 107 N 0.06 0.92 -0.00 0.19 3.58 -1.96 0.11 116.42 119.32 2k9a h ASP 107 Ca 0.01 -0.24 -0.00 0.00 0.42 0.00 0.00 57.03 57.22 2k9a h ASP 107 Cb 0.14 -0.24 -0.00 0.00 1.72 0.00 0.00 39.33 40.94 2k9a h ASP 107 CO 0.01 0.93 0.00 0.40 -2.88 0.00 0.00 179.24 177.70 2k9a h ILE 108 N 0.88 1.24 0.00 2.25 2.04 -1.82 -2.94 117.51 119.16 2k9a h ILE 108 Ca 0.19 -0.72 -0.06 0.00 1.00 0.00 0.00 64.86 65.26 2k9a h ILE 108 Cb 0.38 1.73 -0.01 0.00 -0.74 0.00 0.00 36.82 38.18 2k9a h ILE 108 CO 0.01 0.19 -0.29 0.15 0.00 0.00 0.00 178.15 178.20 2k9a h PHE 109 N -0.30 0.00 -0.95 1.37 3.57 -1.47 -2.74 116.94 116.42 2k9a h PHE 109 Ca 0.00 0.00 0.27 0.00 3.53 0.00 0.00 57.97 61.78 2k9a h PHE 109 Cb 0.31 0.00 -0.04 0.00 2.79 0.00 0.00 35.95 39.01 2k9a h PHE 109 CO 0.03 0.29 0.78 0.22 -2.23 0.00 0.00 178.31 177.41 2k9a h ASP 110 N 0.00 0.00 0.09 0.41 1.82 -0.59 0.51 116.42 118.66 2k9a h ASP 110 Ca -0.00 0.00 -0.00 0.00 -0.39 0.00 0.00 57.03 56.63 2k9a h ASP 110 Cb 0.55 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.56 2k9a h ASP 110 CO 0.04 0.00 -0.04 -0.03 -1.61 0.00 0.00 179.24 177.60 2k9a h MET 111 N 0.00 -0.11 0.00 0.28 4.05 -1.58 -3.17 114.93 114.40 2k9a h MET 111 Ca 0.45 0.01 -0.02 0.00 -0.28 0.00 0.00 59.70 59.86 2k9a h MET 111 Cb 2.01 0.03 -0.00 0.00 -0.80 0.00 0.00 31.60 32.84 2k9a h MET 111 CO -0.00 0.40 -0.09 -0.07 0.23 0.00 0.00 176.91 177.38 2k9a h LEU 112 N -0.73 0.00 -1.89 3.39 3.38 -0.68 -2.81 115.31 115.97 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 0.57 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.29 2k9a h LEU 112 CO 0.02 0.09 0.63 0.25 0.09 0.00 0.00 178.44 179.51 2k9a h LEU 113 N 0.00 0.00 0.00 1.67 5.85 -0.14 0.11 115.31 122.80 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 0.35 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.38 2k9a h LEU 113 CO 0.01 0.00 0.01 0.35 -0.34 0.00 0.00 178.44 178.48 2k9a n THR 114 N -3.89 0.66 0.24 1.05 -2.24 -1.06 -1.92 114.28 107.12 2k9a n THR 114 Ca 0.14 0.18 0.09 0.00 -2.27 0.00 0.00 64.05 62.20 2k9a n THR 114 Cb 0.88 -1.18 0.62 0.00 -2.10 0.00 0.00 70.33 68.56 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 -1.04 -3.37 116.94 117.35 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 0.03 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.18 2k9a h PHE 115 CO 0.00 0.16 -0.53 0.25 -0.60 0.00 0.00 178.31 177.59 2k9a n THR 116 N -3.90 0.00 -1.98 -1.55 -2.24 -0.81 -4.96 114.28 98.85 2k9a n THR 116 Ca -0.02 0.00 -0.25 0.00 -2.27 0.00 0.00 64.05 61.51 2k9a n THR 116 Cb 0.25 -0.37 -0.06 0.00 -2.10 0.00 0.00 70.33 68.06 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 -3.72 4.87 0.50 3.42 1.11 -1.02 -4.75 116.67 117.08 2k9a s ASP 117 Ca 0.00 -0.91 0.15 0.00 0.18 0.00 0.00 52.55 51.97 2k9a s ASP 117 Cb 0.00 -2.57 1.20 0.00 1.07 0.00 0.00 42.92 42.62 2k9a s ASP 117 CO 0.00 -3.09 2.13 0.15 1.18 0.00 0.00 175.17 175.55 2k9a h PHE 118 N 11.00 0.09 -0.55 4.23 3.57 -1.90 -1.57 116.94 131.81 2k9a h PHE 118 Ca 0.12 0.00 -0.07 0.00 3.53 0.00 0.00 57.97 61.55 2k9a h PHE 118 Cb 0.98 -0.03 -0.02 0.00 2.79 0.00 0.00 35.95 39.67 2k9a h PHE 118 CO 1.20 0.05 0.07 -0.07 -2.23 0.00 0.00 178.31 177.33 2k9a h LEU 119 N 0.09 0.84 -0.40 0.59 3.38 -1.97 -2.49 115.31 115.36 2k9a h LEU 119 Ca 0.03 -0.19 -0.15 0.00 0.09 0.00 0.00 57.88 57.67 2k9a h LEU 119 Cb -0.00 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.51 2k9a h LEU 119 CO -0.01 0.86 -0.70 0.00 0.09 0.00 0.00 178.44 178.69 2k9a h ALA 120 N 1.24 0.71 0.39 1.53 0.00 -1.70 -2.60 119.26 118.82 2k9a h ALA 120 Ca 0.17 -0.63 -0.02 0.00 0.00 0.00 0.00 54.91 54.43 2k9a h ALA 120 Cb 0.40 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.08 2k9a h ALA 120 CO 0.01 0.87 -0.19 0.35 0.00 0.00 0.00 179.25 180.30 2k9a h PHE 121 N 0.00 -0.49 -0.12 0.00 3.57 -1.06 0.89 116.94 119.73 2k9a h PHE 121 Ca -0.01 -0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.48 2k9a h PHE 121 Cb 1.35 0.16 -0.01 0.00 2.79 0.00 0.00 35.95 40.24 2k9a h PHE 121 CO 0.00 -0.17 0.06 -0.22 -2.23 0.00 0.00 178.31 175.75 2k9a h LYS 122 N -0.80 0.17 -0.17 1.11 3.64 -1.55 -2.26 116.57 116.72 2k9a h LYS 122 Ca -0.05 -0.03 0.02 0.00 -1.27 0.00 0.00 60.65 59.32 2k9a h LYS 122 Cb 0.53 -0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 32.31 2k9a h LYS 122 CO 0.09 0.23 0.11 1.49 -2.27 0.00 0.00 179.45 179.11 2k9a h GLU 123 N 0.07 0.13 -0.17 1.90 4.81 -1.50 -1.89 114.58 117.93 2k9a h GLU 123 Ca 0.04 -0.01 -0.00 0.00 -0.13 0.00 0.00 59.36 59.26 2k9a h GLU 123 Cb 0.12 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.46 2k9a h GLU 123 CO -0.01 0.08 0.09 1.98 -0.73 0.00 0.00 179.01 180.43 2k9a h MET 124 N 0.13 0.23 -0.40 1.92 4.05 -0.22 -0.40 114.93 120.24 2k9a h MET 124 Ca 0.07 -0.03 -0.06 0.00 -0.28 0.00 0.00 59.70 59.40 2k9a h MET 124 Cb 0.13 -0.04 -0.01 0.00 -0.80 0.00 0.00 31.60 30.87 2k9a h MET 124 CO -0.01 0.25 0.02 0.74 0.23 0.00 0.00 176.91 178.13 2k9a h PHE 125 N 0.16 0.76 -0.44 1.39 0.04 -1.16 -2.02 116.94 115.67 2k9a h PHE 125 Ca 0.06 -0.13 -0.02 0.00 2.80 0.00 0.00 57.97 60.68 2k9a h PHE 125 Cb 0.08 -0.20 -0.02 0.00 2.20 0.00 0.00 35.95 38.01 2k9a h PHE 125 CO -0.04 0.77 0.19 -0.07 -0.60 0.00 0.00 178.31 178.57 2k9a h LEU 126 N 0.54 0.55 -0.26 1.54 3.38 -1.24 -1.75 115.31 118.07 2k9a h LEU 126 Ca 0.12 -0.05 -0.10 0.00 0.09 0.00 0.00 57.88 57.94 2k9a h LEU 126 Cb 0.45 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.06 2k9a h LEU 126 CO 0.02 0.48 -0.21 -0.78 0.09 0.00 0.00 178.44 178.04 2k9a h ASP 127 N 0.61 0.64 -0.21 -0.43 1.82 -0.86 -2.30 116.42 115.69 2k9a h ASP 127 Ca 0.15 -0.45 0.02 0.00 -0.39 0.00 0.00 57.03 56.36 2k9a h ASP 127 Cb 0.09 -0.18 -0.02 0.00 0.68 0.00 0.00 39.33 39.90 2k9a h ASP 127 CO -0.02 0.96 0.07 0.22 -1.61 0.00 0.00 179.24 178.86 2k9a h TYR 128 N 0.33 0.13 -0.40 0.28 3.20 -0.91 -2.67 116.97 116.94 2k9a h TYR 128 Ca 0.05 0.01 0.01 0.00 3.14 0.00 0.00 58.73 61.94 2k9a h TYR 128 Cb 0.76 -0.03 -0.02 0.00 1.54 0.00 0.00 36.73 38.97 2k9a h TYR 128 CO 0.07 0.07 0.24 -0.09 -1.64 0.00 0.00 178.16 176.81 2k9a h ARG 129 N 0.18 0.47 -0.45 1.82 2.43 -1.33 0.65 114.38 118.14 2k9a h ARG 129 Ca 0.09 -0.03 0.09 0.00 -0.81 0.00 0.00 59.98 59.33 2k9a h ARG 129 Cb 0.06 -0.11 -0.09 0.00 -0.42 0.00 0.00 29.97 29.41 2k9a h ARG 129 CO -0.09 0.31 -0.17 0.00 -1.51 0.00 0.00 179.97 178.51 2k9a h ALA 130 N 1.17 0.20 0.00 2.80 0.00 -1.11 0.32 119.26 122.63 2k9a h ALA 130 Ca 0.15 0.17 -0.07 0.00 0.00 0.00 0.00 54.91 55.16 2k9a h ALA 130 Cb -0.01 0.44 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 2k9a h ALA 130 CO -0.06 -0.51 -0.35 0.93 0.00 0.00 0.00 179.25 179.26 2k9a h GLU 131 N -0.07 0.00 0.00 0.00 3.07 -1.26 -1.59 114.58 114.73 2k9a h GLU 131 Ca 0.22 0.00 -0.09 0.00 -0.50 0.00 0.00 59.36 58.99 2k9a h GLU 131 Cb 0.41 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.30 2k9a h GLU 131 CO -0.50 0.35 -0.44 1.57 -1.40 0.00 0.00 179.01 178.59 2k9a h LYS 132 N 0.00 0.00 0.00 2.33 5.09 0.11 -2.36 116.57 121.74 2k9a h LYS 132 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 60.65 60.74 2k9a h LYS 132 Cb 1.03 0.00 0.00 0.00 0.10 0.00 0.00 32.23 33.36 2k9a h LYS 132 CO 0.05 0.44 0.00 0.39 -2.09 0.00 0.00 179.45 178.23 2k9a n GLU 133 N -3.90 0.11 0.00 0.07 1.02 -0.22 -4.89 120.64 112.82 2k9a n GLU 133 Ca -0.01 0.29 0.00 0.00 -0.02 0.00 0.00 57.16 57.41 2k9a n GLU 133 Cb 0.48 -1.68 0.00 0.00 -0.02 0.00 0.00 31.44 30.22 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 0.30 -0.14 0.09 0.62 0.00 -0.89 -4.91 105.19 100.26 2k9a n GLY 134 Ca 0.04 0.21 0.00 0.00 0.00 0.00 0.00 46.02 46.27 2k9a n GLY 134 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 2k9a n ARG 135 N 0.00 0.00 0.00 1.61 0.00 -1.24 -4.92 116.66 112.11 2k9a n ARG 135 Ca 0.00 -0.11 0.00 0.00 -0.00 0.00 0.00 57.85 57.74 2k9a n ARG 135 Cb 0.00 -0.09 0.00 0.00 -0.00 0.00 0.00 32.46 32.37 2k9a n ARG 135 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04