#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 -0.06 0.00 7.83 8.00 -1.26 -5.04 116.55 126.02 2k9a n ASP 2 Ca 0.00 -1.08 0.00 0.00 0.71 0.00 0.00 54.79 54.42 2k9a n ASP 2 Cb 0.00 -0.22 0.00 0.00 -0.02 0.00 0.00 41.12 40.88 2k9a n ASP 2 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2k9a n ALA 3 N -3.20 0.88 -2.66 2.24 0.00 -1.26 -5.06 120.51 111.45 2k9a n ALA 3 Ca -0.05 0.00 -0.38 0.00 0.00 0.00 0.00 53.44 53.01 2k9a n ALA 3 Cb 0.13 0.02 -0.08 0.00 0.00 0.00 0.00 19.45 19.52 2k9a n ALA 3 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 2k9a s LEU 4 N -1.07 4.13 0.00 0.00 2.96 -1.26 -4.90 118.68 118.54 2k9a s LEU 4 Ca 0.00 0.43 0.00 0.00 -0.22 0.00 0.00 54.13 54.34 2k9a s LEU 4 Cb 0.00 -2.44 0.00 0.00 0.50 0.00 0.00 46.19 44.25 2k9a s LEU 4 CO 0.00 -0.07 0.14 -0.62 -1.32 0.00 0.00 176.35 174.48 2k9a n GLU 5 N 4.55 1.74 -4.16 1.98 -0.58 -1.26 -5.08 120.64 117.84 2k9a n GLU 5 Ca -0.09 -0.14 -0.10 0.00 -0.42 0.00 0.00 57.16 56.41 2k9a n GLU 5 Cb 0.51 -0.53 -0.10 0.00 -0.57 0.00 0.00 31.44 30.75 2k9a n GLU 5 CO 0.00 0.00 0.00 0.20 -0.48 0.00 0.00 177.13 176.85 2k9a s GLY 6 N -0.29 0.72 0.15 0.62 0.00 -1.26 -5.07 107.32 102.19 2k9a s GLY 6 Ca 0.00 -1.32 0.00 0.00 0.00 0.00 0.00 44.72 43.40 2k9a s GLY 6 CO 0.00 -1.43 0.00 1.18 0.00 0.00 0.00 173.10 172.85 2k9a n GLU 7 N 0.00 0.00 -3.59 2.90 1.02 -1.26 -5.16 120.64 114.55 2k9a n GLU 7 Ca -0.13 0.00 -0.11 0.00 -0.02 0.00 0.00 57.16 56.91 2k9a n GLU 7 Cb 0.61 -0.04 -0.03 0.00 -0.02 0.00 0.00 31.44 31.96 2k9a n GLU 7 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 2k9a s SER 8 N -4.69 -0.40 -0.19 1.62 0.15 -1.26 -5.15 113.70 103.77 2k9a s SER 8 Ca 0.00 -0.25 -0.03 0.00 0.70 0.00 0.00 55.95 56.37 2k9a s SER 8 Cb 0.00 0.59 0.06 0.00 -1.71 0.00 0.00 66.02 64.96 2k9a s SER 8 CO 0.00 -1.01 0.06 0.12 1.20 0.00 0.00 173.24 173.61 2k9a s PHE 9 N -3.81 0.76 -0.26 3.44 5.36 -1.26 -5.09 117.98 117.11 2k9a s PHE 9 Ca 0.04 -0.72 -0.01 0.00 -0.96 0.00 0.00 56.93 55.29 2k9a s PHE 9 Cb -0.01 -0.94 0.14 0.00 -0.34 0.00 0.00 43.02 41.87 2k9a s PHE 9 CO -0.08 -0.60 0.36 0.00 -1.46 0.00 0.00 175.22 173.44 2k9a s ALA 10 N 1.95 -0.96 0.09 11.12 0.00 -1.26 -5.06 121.76 127.64 2k9a s ALA 10 Ca 0.01 0.44 0.01 0.00 0.00 0.00 0.00 51.96 52.42 2k9a s ALA 10 Cb -0.17 -1.79 0.01 0.00 0.00 0.00 0.00 23.12 21.17 2k9a s ALA 10 CO -0.10 -1.48 0.08 1.28 0.00 0.00 0.00 175.76 175.53 2k9a n LEU 11 N 5.35 0.00 -2.49 0.00 4.77 -1.26 -4.99 117.00 118.38 2k9a n LEU 11 Ca -0.02 -0.45 -0.05 0.00 -0.03 0.00 0.00 56.01 55.46 2k9a n LEU 11 Cb 0.49 -0.02 -0.04 0.00 -2.33 0.00 0.00 43.42 41.53 2k9a n LEU 11 CO 0.03 -0.34 -0.62 -1.20 -1.33 0.00 0.00 177.39 173.93 2k9a n SER 12 N -2.13 -2.03 -4.56 -1.43 7.64 -1.26 -4.73 113.62 105.13 2k9a n SER 12 Ca 0.00 1.39 -0.38 0.00 1.01 0.00 0.00 58.87 60.89 2k9a n SER 12 Cb 0.10 -5.09 -0.04 0.00 -1.01 0.00 0.00 64.21 58.18 2k9a n SER 12 CO 0.00 0.00 0.00 0.33 -3.01 0.00 0.00 175.04 172.36 2k9a n PHE 13 N 1.66 1.54 -3.60 1.43 7.35 -1.26 -4.89 117.46 119.70 2k9a n PHE 13 Ca -0.34 0.07 -0.14 0.00 -0.76 0.00 0.00 57.45 56.29 2k9a n PHE 13 Cb 0.52 -2.65 -0.06 0.00 0.35 0.00 0.00 39.48 37.64 2k9a n PHE 13 CO 0.00 0.00 0.00 -1.12 -0.76 0.00 0.00 176.76 174.88 2k9a s SER 14 N 11.04 -0.41 0.04 -2.13 0.01 -1.26 -5.09 113.70 115.90 2k9a s SER 14 Ca 1.00 0.16 -0.02 0.00 1.31 0.00 0.00 55.95 58.40 2k9a s SER 14 Cb -0.27 0.48 -0.01 0.00 0.21 0.00 0.00 66.02 66.43 2k9a s SER 14 CO 0.30 -0.70 -0.04 -1.20 0.41 0.00 0.00 173.24 172.01 2k9a n SER 15 N 0.47 0.89 0.34 2.44 7.64 -1.26 -4.67 113.62 119.46 2k9a n SER 15 Ca -0.18 0.12 0.17 0.00 1.01 0.00 0.00 58.87 59.98 2k9a n SER 15 Cb 0.60 -0.29 0.88 0.00 -1.01 0.00 0.00 64.21 64.39 2k9a n SER 15 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2k9a h ALA 16 N -0.10 1.28 -4.27 -0.43 0.00 -1.95 0.26 119.26 114.05 2k9a h ALA 16 Ca -0.02 -0.00 -0.15 0.00 0.00 0.00 0.00 54.91 54.73 2k9a h ALA 16 Cb 0.41 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.17 2k9a h ALA 16 CO -0.01 -0.28 -0.11 -1.13 0.00 0.00 0.00 179.25 177.71 2k9a n SER 17 N -2.92 2.24 -0.51 0.00 3.41 -1.26 -4.62 113.62 109.96 2k9a n SER 17 Ca -0.02 -1.52 0.00 0.00 -0.26 0.00 0.00 58.87 57.07 2k9a n SER 17 Cb 0.33 0.07 0.00 0.00 -0.26 0.00 0.00 64.21 64.36 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 -1.16 -4.20 0.26 4.04 9.92 -1.26 -2.89 116.55 121.26 2k9a n ASP 18 Ca -0.05 0.00 0.13 0.00 -0.53 0.00 0.00 54.79 54.35 2k9a n ASP 18 Cb 0.15 0.00 0.65 0.00 -0.64 0.00 0.00 41.12 41.29 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 -0.89 1.10 -0.15 2.24 0.00 -1.92 -3.20 119.26 116.45 2k9a h ALA 19 Ca 0.00 -0.11 0.04 0.00 0.00 0.00 0.00 54.91 54.83 2k9a h ALA 19 Cb 0.00 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 17.73 2k9a h ALA 19 CO 0.00 0.15 -0.08 1.49 0.00 0.00 0.00 179.25 180.81 2k9a h GLU 20 N 0.00 -0.08 -0.78 0.00 4.57 -1.77 -1.29 114.58 115.24 2k9a h GLU 20 Ca -0.00 0.01 0.14 0.00 -1.18 0.00 0.00 59.36 58.32 2k9a h GLU 20 Cb 0.51 0.02 -0.09 0.00 -0.16 0.00 0.00 28.75 29.02 2k9a h GLU 20 CO 0.02 -0.05 0.36 0.35 -1.18 0.00 0.00 179.01 178.51 2k9a h PHE 21 N -0.08 0.63 -0.66 0.92 3.57 -0.34 0.14 116.94 121.12 2k9a h PHE 21 Ca 0.09 0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.60 2k9a h PHE 21 Cb 0.21 -0.16 -0.03 0.00 2.79 0.00 0.00 35.95 38.75 2k9a h PHE 21 CO -0.22 0.13 0.33 -0.44 -2.23 0.00 0.00 178.31 175.88 2k9a h ASP 22 N 0.53 0.84 -0.57 0.41 5.19 -1.48 -2.48 116.42 118.87 2k9a h ASP 22 Ca 0.42 -0.08 -0.00 0.00 -0.62 0.00 0.00 57.03 56.75 2k9a h ASP 22 Cb 0.60 -0.21 -0.03 0.00 0.18 0.00 0.00 39.33 39.87 2k9a h ASP 22 CO -0.37 0.70 0.34 0.00 -3.12 0.00 0.00 179.24 176.79 2k9a h ALA 23 N 1.43 0.72 -0.64 3.45 0.00 0.11 -2.39 119.26 121.95 2k9a h ALA 23 Ca 0.23 -0.08 0.02 0.00 0.00 0.00 0.00 54.91 55.08 2k9a h ALA 23 Cb 0.08 -0.23 -0.04 0.00 0.00 0.00 0.00 17.79 17.61 2k9a h ALA 23 CO -0.03 0.21 0.42 0.28 0.00 0.00 0.00 179.25 180.12 2k9a h VAL 24 N 0.76 1.13 -0.71 0.00 2.07 -0.97 -1.79 116.25 116.75 2k9a h VAL 24 Ca 0.20 -0.29 0.05 0.00 0.82 0.00 0.00 66.70 67.49 2k9a h VAL 24 Cb -0.01 0.22 -0.04 0.00 -1.52 0.00 0.00 31.29 29.94 2k9a h VAL 24 CO -0.04 0.15 0.46 0.58 0.02 0.00 0.00 177.57 178.75 2k9a h VAL 25 N 0.84 1.05 -0.35 2.57 2.07 -1.10 -2.16 116.25 119.16 2k9a h VAL 25 Ca 0.25 -0.27 -0.03 0.00 0.82 0.00 0.00 66.70 67.47 2k9a h VAL 25 Cb -0.05 0.20 -0.02 0.00 -1.52 0.00 0.00 31.29 29.91 2k9a h VAL 25 CO -0.07 0.14 0.12 1.23 0.02 0.00 0.00 177.57 179.01 2k9a h GLY 26 N 0.78 0.58 1.30 2.17 0.00 -0.84 -2.51 103.07 104.56 2k9a h GLY 26 Ca 0.29 -0.34 0.00 0.00 0.00 0.00 0.00 47.33 47.29 2k9a h GLY 26 CO -0.09 0.32 0.44 -0.97 0.00 0.00 0.00 176.54 176.23 2k9a h TYR 27 N 0.42 0.90 -0.56 5.60 0.05 -1.06 -2.23 116.97 120.08 2k9a h TYR 27 Ca 0.11 0.01 -0.01 0.00 0.05 0.00 0.00 58.73 58.90 2k9a h TYR 27 Cb 0.24 -0.30 -0.03 0.00 1.01 0.00 0.00 36.73 37.65 2k9a h TYR 27 CO 0.01 0.59 0.33 -0.07 -1.05 0.00 0.00 178.16 177.96 2k9a h LEU 28 N 0.96 0.68 -1.13 3.88 3.38 -1.13 -2.37 115.31 119.59 2k9a h LEU 28 Ca 0.25 -0.07 -0.01 0.00 0.09 0.00 0.00 57.88 58.15 2k9a h LEU 28 Cb -0.07 -0.17 -0.04 0.00 0.09 0.00 0.00 40.66 40.47 2k9a h LEU 28 CO -0.05 0.55 0.47 -0.33 0.09 0.00 0.00 178.44 179.17 2k9a h GLU 29 N 0.76 1.06 -0.17 1.13 5.08 -0.98 -0.84 114.58 120.62 2k9a h GLU 29 Ca 0.20 -0.10 -0.06 0.00 -1.00 0.00 0.00 59.36 58.41 2k9a h GLU 29 Cb 0.00 -0.22 -0.01 0.00 0.50 0.00 0.00 28.75 29.02 2k9a h GLU 29 CO -0.04 0.75 -0.15 0.22 -1.00 0.00 0.00 179.01 178.79 2k9a h ASP 30 N 1.08 0.27 0.07 1.42 1.82 -1.04 -2.38 116.42 117.65 2k9a h ASP 30 Ca 0.28 -0.06 -0.23 0.00 -0.39 0.00 0.00 57.03 56.63 2k9a h ASP 30 Cb -0.04 -0.07 0.02 0.00 0.68 0.00 0.00 39.33 39.92 2k9a h ASP 30 CO -0.05 0.45 -0.92 0.40 -1.61 0.00 0.00 179.24 177.50 2k9a h ILE 31 N 0.27 1.37 -0.19 2.25 2.04 -0.85 -2.20 117.51 120.20 2k9a h ILE 31 Ca 0.05 -2.31 -0.01 0.00 1.00 0.00 0.00 64.86 63.59 2k9a h ILE 31 Cb 0.43 2.71 -0.01 0.00 -0.74 0.00 0.00 36.82 39.21 2k9a h ILE 31 CO 0.03 0.69 0.08 0.40 0.00 0.00 0.00 178.15 179.35 2k9a h ILE 32 N 0.05 1.08 -0.02 -0.67 2.04 -1.03 -0.62 117.51 118.33 2k9a h ILE 32 Ca -0.13 -0.22 0.00 0.00 1.00 0.00 0.00 64.86 65.50 2k9a h ILE 32 Cb 1.63 0.84 0.00 0.00 -0.74 0.00 0.00 36.82 38.55 2k9a h ILE 32 CO 0.18 0.09 -0.06 0.23 0.00 0.00 0.00 178.15 178.58 2k9a n MET 33 N -4.46 1.85 -2.15 2.37 2.81 -0.91 -4.72 117.12 111.90 2k9a n MET 33 Ca -0.00 -1.35 -0.41 0.00 -1.81 0.00 0.00 57.70 54.13 2k9a n MET 33 Cb 0.11 -1.47 -0.03 0.00 -0.71 0.00 0.00 33.22 31.12 2k9a n MET 33 CO 0.00 0.00 0.00 0.34 1.51 0.00 0.00 175.97 177.82 2k9a s ASP 34 N -2.08 6.82 0.28 7.83 -1.08 -0.24 -4.92 116.67 123.27 2k9a s ASP 34 Ca 0.31 2.49 -0.03 0.00 -0.52 0.00 0.00 52.55 54.80 2k9a s ASP 34 Cb 0.20 -2.62 0.37 0.00 -1.46 0.00 0.00 42.92 39.42 2k9a s ASP 34 CO 0.35 -0.58 1.93 -2.24 0.52 0.00 0.00 175.17 175.15 2k9a h ASP 35 N 5.21 1.00 0.40 -0.34 2.03 -1.90 -1.53 116.42 121.29 2k9a h ASP 35 Ca -0.45 -0.05 -0.05 0.00 -0.73 0.00 0.00 57.03 55.74 2k9a h ASP 35 Cb 1.22 -0.25 -0.01 0.00 -0.83 0.00 0.00 39.33 39.46 2k9a h ASP 35 CO 0.77 0.76 -0.25 -0.08 -1.03 0.00 0.00 179.24 179.41 2k9a h GLU 36 N 1.15 0.00 0.04 4.15 4.81 -1.92 -2.44 114.58 120.37 2k9a h GLU 36 Ca 0.30 0.00 -0.27 0.00 -0.13 0.00 0.00 59.36 59.26 2k9a h GLU 36 Cb -0.06 0.00 0.02 0.00 0.63 0.00 0.00 28.75 29.34 2k9a h GLU 36 CO -0.06 0.25 -1.10 0.35 -0.73 0.00 0.00 179.01 177.71 2k9a h PHE 37 N 0.00 0.95 -0.57 0.92 3.57 -1.54 -2.46 116.94 117.80 2k9a h PHE 37 Ca -0.00 -0.55 -0.05 0.00 3.53 0.00 0.00 57.97 60.90 2k9a h PHE 37 Cb 0.51 -0.10 -0.02 0.00 2.79 0.00 0.00 35.95 39.13 2k9a h PHE 37 CO 0.00 1.39 0.15 1.96 -2.23 0.00 0.00 178.31 179.58 2k9a h GLN 38 N 0.32 0.90 -0.04 1.11 1.08 -1.12 -1.11 115.11 116.26 2k9a h GLN 38 Ca -0.14 -0.21 -0.01 0.00 -1.45 0.00 0.00 58.65 56.84 2k9a h GLN 38 Cb 1.76 -0.12 -0.00 0.00 -0.05 0.00 0.00 27.48 29.07 2k9a h GLN 38 CO 0.21 0.83 -0.01 1.25 -0.95 0.00 0.00 178.83 180.16 2k9a h LEU 39 N 0.81 0.08 -0.36 1.46 6.46 -1.52 -1.86 115.31 120.38 2k9a h LEU 39 Ca 0.18 -0.36 0.04 0.00 -0.12 0.00 0.00 57.88 57.63 2k9a h LEU 39 Cb 0.32 -0.02 -0.04 0.00 -0.73 0.00 0.00 40.66 40.19 2k9a h LEU 39 CO -0.00 0.42 0.11 0.25 -0.62 0.00 0.00 178.44 178.60 2k9a h LEU 40 N -0.27 0.11 0.33 2.25 5.85 -1.38 0.70 115.31 122.91 2k9a h LEU 40 Ca 0.01 0.04 -0.02 0.00 0.84 0.00 0.00 57.88 58.76 2k9a h LEU 40 Cb 0.38 0.04 0.00 0.00 0.37 0.00 0.00 40.66 41.45 2k9a h LEU 40 CO 0.00 0.10 -0.16 -0.61 -0.34 0.00 0.00 178.44 177.43 2k9a h GLN 41 N 0.26 -0.43 -0.19 1.25 4.15 -1.21 -2.67 115.11 116.27 2k9a h GLN 41 Ca 0.16 0.03 -0.02 0.00 0.77 0.00 0.00 58.65 59.59 2k9a h GLN 41 Cb 0.15 0.10 -0.01 0.00 0.21 0.00 0.00 27.48 27.93 2k9a h GLN 41 CO -0.18 -0.22 0.01 -0.09 -1.93 0.00 0.00 178.83 176.42 2k9a h ARG 42 N -0.55 0.27 -0.08 1.69 2.43 -1.20 0.11 114.38 117.04 2k9a h ARG 42 Ca -0.05 -0.04 -0.00 0.00 -0.81 0.00 0.00 59.98 59.08 2k9a h ARG 42 Cb 0.41 -0.05 -0.00 0.00 -0.42 0.00 0.00 29.97 29.91 2k9a h ARG 42 CO 0.08 0.28 0.03 -0.91 -1.51 0.00 0.00 179.97 177.94 2k9a h ASN 43 N 0.26 0.10 0.07 -3.80 4.21 -0.67 -2.15 115.58 113.61 2k9a h ASN 43 Ca 0.06 -0.14 -0.11 0.00 1.21 0.00 0.00 56.30 57.32 2k9a h ASN 43 Cb 0.16 -0.03 0.01 0.00 -1.12 0.00 0.00 38.32 37.35 2k9a h ASN 43 CO 0.00 0.22 -0.46 -0.26 -1.29 0.00 0.00 177.43 175.63 2k9a h PHE 44 N -0.02 0.34 -0.80 1.19 0.04 -1.27 -3.30 116.94 113.12 2k9a h PHE 44 Ca 0.03 -0.23 0.22 0.00 2.80 0.00 0.00 57.97 60.78 2k9a h PHE 44 Cb 0.14 -0.02 -0.04 0.00 2.20 0.00 0.00 35.95 38.24 2k9a h PHE 44 CO -0.02 1.15 0.56 0.52 -0.60 0.00 0.00 178.31 179.92 2k9a h MET 45 N -0.57 0.10 -0.36 1.51 2.86 -0.86 0.13 114.93 117.73 2k9a h MET 45 Ca -0.08 -0.01 0.06 0.00 -2.06 0.00 0.00 59.70 57.62 2k9a h MET 45 Cb 1.33 -0.02 -0.02 0.00 0.06 0.00 0.00 31.60 32.95 2k9a h MET 45 CO 0.09 0.07 0.25 0.22 1.06 0.00 0.00 176.91 178.59 2k9a h ASP 46 N 0.10 0.18 0.05 1.22 3.58 -1.46 -1.76 116.42 118.34 2k9a h ASP 46 Ca 0.39 0.00 -0.38 0.00 0.42 0.00 0.00 57.03 57.46 2k9a h ASP 46 Cb 1.39 -0.04 -0.06 0.00 1.72 0.00 0.00 39.33 42.34 2k9a h ASP 46 CO -0.05 0.12 -2.32 0.29 -2.88 0.00 0.00 179.24 174.40 2k9a n LYS 47 N -4.47 0.68 0.08 0.28 4.76 0.30 -4.23 118.16 115.57 2k9a n LYS 47 Ca 0.05 0.17 -0.12 0.00 -2.87 0.00 0.00 58.31 55.54 2k9a n LYS 47 Cb 0.29 -1.58 -0.05 0.00 -1.84 0.00 0.00 35.03 31.85 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 0.02 -0.62 0.00 2.13 -1.99 -0.97 -0.95 116.97 114.58 2k9a h TYR 48 Ca -0.53 0.02 -0.00 0.00 2.00 0.00 0.00 58.73 60.22 2k9a h TYR 48 Cb 1.97 0.27 -0.00 0.00 2.00 0.00 0.00 36.73 40.97 2k9a h TYR 48 CO 0.04 -0.33 -0.00 0.10 -0.00 0.00 0.00 178.16 177.97 2k9a h TYR 49 N -0.40 0.00 0.10 4.88 -0.00 -1.56 -1.42 116.97 118.58 2k9a h TYR 49 Ca 0.05 0.00 -0.23 0.00 -0.00 0.00 0.00 58.73 58.54 2k9a h TYR 49 Cb 0.45 0.00 0.02 0.00 -0.00 0.00 0.00 36.73 37.20 2k9a h TYR 49 CO -0.25 0.00 -0.97 -0.07 -0.00 0.00 0.00 178.16 176.87 2k9a h LEU 50 N 0.00 0.69 -0.89 0.10 3.38 -1.38 -3.28 115.31 113.93 2k9a h LEU 50 Ca -0.00 -0.84 -0.11 0.00 0.09 0.00 0.00 57.88 57.02 2k9a h LEU 50 Cb 0.04 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.56 2k9a h LEU 50 CO 0.00 1.46 -0.50 -0.33 0.09 0.00 0.00 178.44 179.16 2k9a h GLU 51 N 0.01 0.00 -5.48 1.13 5.08 -0.54 -3.37 114.58 111.41 2k9a h GLU 51 Ca -0.15 0.00 -0.69 0.00 -1.00 0.00 0.00 59.36 57.52 2k9a h GLU 51 Cb 1.70 0.00 -0.12 0.00 0.50 0.00 0.00 28.75 30.83 2k9a h GLU 51 CO 0.19 0.50 1.75 -0.06 -1.00 0.00 0.00 179.01 180.39 2k9a s PHE 52 N -3.68 3.00 -0.04 4.33 0.40 -0.61 -4.97 117.98 116.40 2k9a s PHE 52 Ca -0.01 -1.68 -0.13 0.00 -0.60 0.00 0.00 56.93 54.51 2k9a s PHE 52 Cb 0.12 -4.58 -0.05 0.00 0.51 0.00 0.00 43.02 39.02 2k9a s PHE 52 CO 0.73 -1.67 0.34 -2.00 0.70 0.00 0.00 175.22 173.31 2k9a s GLU 53 N 3.37 3.83 -0.41 0.44 2.12 -1.26 -4.87 118.70 121.92 2k9a s GLU 53 Ca 0.48 0.26 -0.28 0.00 0.36 0.00 0.00 54.97 55.79 2k9a s GLU 53 Cb 0.01 -3.23 -0.01 0.00 0.26 0.00 0.00 34.13 31.16 2k9a s GLU 53 CO 0.02 0.67 1.69 0.16 -0.54 0.00 0.00 175.26 177.26 2k9a s ASP 54 N -0.92 5.91 0.31 -1.70 -4.77 -1.26 -4.95 116.67 109.30 2k9a s ASP 54 Ca 0.21 0.95 0.04 0.00 -3.30 0.00 0.00 52.55 50.46 2k9a s ASP 54 Cb -0.15 -2.53 -0.03 0.00 -1.09 0.00 0.00 42.92 39.11 2k9a s ASP 54 CO 0.10 -1.75 0.20 0.42 0.70 0.00 0.00 175.17 174.84 2k9a s THR 55 N 6.84 0.17 -0.05 2.11 -4.23 -1.26 -5.10 115.64 114.12 2k9a s THR 55 Ca 0.71 -2.00 -0.05 0.00 -1.18 0.00 0.00 61.69 59.18 2k9a s THR 55 Cb -0.18 -2.48 -0.02 0.00 1.34 0.00 0.00 72.50 71.15 2k9a s THR 55 CO 0.31 0.00 0.24 -0.33 -0.54 0.00 0.00 174.62 174.30 2k9a h GLU 56 N 2.19 -0.16 -5.93 3.99 4.39 -2.08 -3.45 114.58 113.53 2k9a h GLU 56 Ca -0.30 0.01 -0.60 0.00 0.34 0.00 0.00 59.36 58.81 2k9a h GLU 56 Cb 1.24 0.04 -0.06 0.00 -0.10 0.00 0.00 28.75 29.87 2k9a h GLU 56 CO 0.46 -0.10 -0.19 -2.00 -1.16 0.00 0.00 179.01 176.02 2k9a s GLU 57 N -2.01 4.05 0.59 2.33 2.56 -1.26 -5.08 118.70 119.87 2k9a s GLU 57 Ca -0.02 0.42 -0.14 0.00 0.00 0.00 0.00 54.97 55.22 2k9a s GLU 57 Cb 0.00 -3.28 -0.04 0.00 2.00 0.00 0.00 34.13 32.81 2k9a s GLU 57 CO 0.07 0.55 1.03 0.54 -0.56 0.00 0.00 175.26 176.88 2k9a s ASN 58 N -0.61 6.09 0.35 -1.70 2.20 -1.26 -5.08 114.94 114.94 2k9a s ASN 58 Ca 0.24 1.63 0.07 0.00 -0.94 0.00 0.00 52.86 53.86 2k9a s ASN 58 Cb -0.16 -2.51 -0.02 0.00 -2.00 0.00 0.00 41.25 36.56 2k9a s ASN 58 CO 0.12 -0.96 0.34 -0.54 -2.94 0.00 0.00 177.10 173.13 2k9a s LYS 59 N -4.42 2.73 0.00 3.55 1.02 -1.26 -5.01 119.74 116.36 2k9a s LYS 59 Ca 0.60 -1.31 0.29 0.00 0.02 0.00 0.00 55.97 55.56 2k9a s LYS 59 Cb -0.13 -2.51 1.31 0.00 -0.52 0.00 0.00 37.83 35.99 2k9a s LYS 59 CO 0.41 0.02 1.95 1.28 -0.92 0.00 0.00 175.35 178.09 2k9a n LEU 60 N -1.46 0.00 0.19 3.17 4.77 -1.26 -3.22 117.00 119.19 2k9a n LEU 60 Ca -0.00 0.42 0.14 0.00 -0.03 0.00 0.00 56.01 56.54 2k9a n LEU 60 Cb 0.60 -0.42 0.58 0.00 -2.33 0.00 0.00 43.42 41.85 2k9a n LEU 60 CO 0.42 -0.01 0.92 -0.29 -1.33 0.00 0.00 177.39 177.10 2k9a h ILE 61 N 0.00 0.00 0.00 -0.08 6.09 -2.01 -2.62 117.51 118.89 2k9a h ILE 61 Ca 0.00 -0.34 -0.01 0.00 -1.37 0.00 0.00 64.86 63.14 2k9a h ILE 61 Cb 0.41 1.18 -0.00 0.00 0.47 0.00 0.00 36.82 38.88 2k9a h ILE 61 CO 0.00 0.00 -0.03 1.88 -3.07 0.00 0.00 178.15 176.93 2k9a h TYR 62 N 0.00 0.00 0.09 2.19 0.05 -1.96 -2.83 116.97 114.50 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 0.42 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.16 2k9a h TYR 62 CO 0.00 0.03 -0.04 1.15 -1.05 0.00 0.00 178.16 178.25 2k9a h THR 63 N 0.00 1.13 -0.45 -2.88 2.02 -1.72 -2.44 112.91 108.56 2k9a h THR 63 Ca -0.00 -1.34 -0.05 0.00 0.77 0.00 0.00 66.41 65.78 2k9a h THR 63 Cb 0.57 1.92 -0.02 0.00 -1.74 0.00 0.00 68.15 68.88 2k9a h THR 63 CO 0.00 0.30 0.07 1.55 0.37 0.00 0.00 175.52 177.81 2k9a h PRO 64 N -0.80 0.75 -0.56 6.66 0.13 -1.72 -2.47 132.00 134.01 2k9a h PRO 64 Ca -0.01 -0.20 0.01 0.00 -0.87 0.00 0.00 66.00 64.92 2k9a h PRO 64 Cb 0.59 -0.09 -0.03 0.00 0.13 0.00 0.00 31.00 31.60 2k9a h PRO 64 CO 0.02 0.77 0.37 0.82 -0.23 0.00 0.00 178.00 179.75 2k9a h ILE 65 N 0.61 1.14 -0.88 -3.56 2.04 -1.63 -1.99 117.51 113.24 2k9a h ILE 65 Ca 0.14 -0.26 0.01 0.00 1.00 0.00 0.00 64.86 65.75 2k9a h ILE 65 Cb 0.39 0.32 -0.04 0.00 -0.74 0.00 0.00 36.82 36.75 2k9a h ILE 65 CO 0.01 0.14 0.58 0.15 0.00 0.00 0.00 178.15 179.03 2k9a h PHE 66 N 0.75 1.11 -0.73 1.37 3.57 -1.33 -2.28 116.94 119.40 2k9a h PHE 66 Ca 0.21 0.03 -0.03 0.00 3.53 0.00 0.00 57.97 61.70 2k9a h PHE 66 Cb -0.08 -0.38 -0.03 0.00 2.79 0.00 0.00 35.95 38.25 2k9a h PHE 66 CO -0.04 0.70 0.34 -0.91 -2.23 0.00 0.00 178.31 176.18 2k9a h ASN 67 N 1.20 0.95 -0.21 0.41 2.35 -0.99 -2.22 115.58 117.06 2k9a h ASN 67 Ca 0.32 -0.14 -0.03 0.00 -0.55 0.00 0.00 56.30 55.91 2k9a h ASN 67 Cb -0.14 -0.24 -0.02 0.00 0.05 0.00 0.00 38.32 37.97 2k9a h ASN 67 CO -0.07 0.82 0.07 -0.08 -1.65 0.00 0.00 177.43 176.52 2k9a h GLU 68 N 1.02 0.41 -0.36 0.81 4.81 -0.87 -1.00 114.58 119.39 2k9a h GLU 68 Ca 0.25 -0.06 -0.14 0.00 -0.13 0.00 0.00 59.36 59.28 2k9a h GLU 68 Cb 0.13 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 29.42 2k9a h GLU 68 CO -0.03 0.39 -0.30 -0.92 -0.73 0.00 0.00 179.01 177.41 2k9a h TYR 69 N 0.41 1.01 0.00 0.92 3.20 -0.88 0.72 116.97 122.35 2k9a h TYR 69 Ca 0.10 -0.29 -0.12 0.00 3.14 0.00 0.00 58.73 61.56 2k9a h TYR 69 Cb 0.17 -0.22 -0.02 0.00 1.54 0.00 0.00 36.73 38.20 2k9a h TYR 69 CO 0.00 1.08 -0.57 0.82 -1.64 0.00 0.00 178.16 177.85 2k9a h ILE 70 N 0.65 1.28 0.06 1.81 1.08 -1.02 -0.10 117.51 121.27 2k9a h ILE 70 Ca 0.07 -2.05 -0.29 0.00 -0.39 0.00 0.00 64.86 62.20 2k9a h ILE 70 Cb 0.88 2.15 -0.03 0.00 -3.07 0.00 0.00 36.82 36.75 2k9a h ILE 70 CO 0.08 0.56 -1.51 0.77 -0.69 0.00 0.00 178.15 177.36 2k9a h SER 71 N 0.00 0.19 0.00 1.72 4.64 -1.12 -3.23 113.55 115.74 2k9a h SER 71 Ca -0.01 -0.28 0.00 0.00 -0.47 0.00 0.00 61.79 61.03 2k9a h SER 71 Cb 1.10 -0.06 0.00 0.00 -0.31 0.00 0.00 62.40 63.13 2k9a h SER 71 CO 0.07 1.24 -0.39 0.25 -0.87 0.00 0.00 176.83 177.13 2k9a h LEU 72 N 0.03 0.00 0.44 5.97 7.12 -0.86 -3.35 115.31 124.66 2k9a h LEU 72 Ca -0.22 0.00 -0.02 0.00 0.13 0.00 0.00 57.88 57.77 2k9a h LEU 72 Cb 1.97 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 42.10 2k9a h LEU 72 CO 0.12 0.62 -0.21 0.58 -0.13 0.00 0.00 178.44 179.42 2k9a h VAL 73 N -0.84 0.19 -0.92 1.05 2.07 -1.19 -2.43 116.25 114.17 2k9a h VAL 73 Ca 0.00 -0.59 0.16 0.00 0.82 0.00 0.00 66.70 67.09 2k9a h VAL 73 Cb 0.39 0.29 -0.10 0.00 -1.52 0.00 0.00 31.29 30.36 2k9a h VAL 73 CO 0.00 0.04 0.51 -0.08 0.02 0.00 0.00 177.57 178.06 2k9a h GLU 74 N -1.09 0.68 -0.34 1.57 4.22 -1.55 0.02 114.58 118.09 2k9a h GLU 74 Ca -0.06 -0.04 -0.12 0.00 0.08 0.00 0.00 59.36 59.22 2k9a h GLU 74 Cb 0.52 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.60 2k9a h GLU 74 CO 0.10 0.45 -0.27 0.87 -2.18 0.00 0.00 179.01 177.98 2k9a h LYS 75 N 0.70 0.69 -0.10 1.92 1.57 -1.63 -2.51 116.57 117.20 2k9a h LYS 75 Ca 0.51 -0.29 0.04 0.00 -1.87 0.00 0.00 60.65 59.04 2k9a h LYS 75 Cb 0.74 -0.03 -0.04 0.00 0.08 0.00 0.00 32.23 32.98 2k9a h LYS 75 CO -0.37 0.88 -0.14 -0.92 -0.57 0.00 0.00 179.45 178.34 2k9a h TYR 76 N 0.60 -0.36 -0.72 -1.35 3.20 -0.47 -0.18 116.97 117.69 2k9a h TYR 76 Ca 0.08 0.02 -0.04 0.00 3.14 0.00 0.00 58.73 61.93 2k9a h TYR 76 Cb 0.76 0.17 -0.03 0.00 1.54 0.00 0.00 36.73 39.17 2k9a h TYR 76 CO 0.04 -0.21 0.31 0.82 -1.64 0.00 0.00 178.16 177.48 2k9a h ILE 77 N -0.18 1.24 0.09 1.81 2.04 -1.43 -2.16 117.51 118.92 2k9a h ILE 77 Ca 0.08 -0.74 -0.00 0.00 1.00 0.00 0.00 64.86 65.20 2k9a h ILE 77 Cb 0.30 0.38 0.00 0.00 -0.74 0.00 0.00 36.82 36.77 2k9a h ILE 77 CO -0.21 0.30 -0.04 -0.08 0.00 0.00 0.00 178.15 178.11 2k9a h GLU 78 N 1.03 -0.12 -0.20 2.37 4.81 -0.98 -1.70 114.58 119.79 2k9a h GLU 78 Ca 0.24 0.01 -0.00 0.00 -0.13 0.00 0.00 59.36 59.48 2k9a h GLU 78 Cb 0.18 0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.57 2k9a h GLU 78 CO -0.02 -0.06 0.12 0.93 -0.73 0.00 0.00 179.01 179.25 2k9a h GLU 79 N -0.15 0.27 -0.32 1.92 5.08 -0.97 -1.47 114.58 118.95 2k9a h GLU 79 Ca -0.01 -0.02 0.01 0.00 -1.00 0.00 0.00 59.36 58.33 2k9a h GLU 79 Cb 0.12 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.29 2k9a h GLU 79 CO 0.02 0.21 0.21 1.96 -1.00 0.00 0.00 179.01 180.42 2k9a h GLN 80 N 0.24 0.40 0.10 2.33 1.08 -1.31 -2.07 115.11 115.88 2k9a h GLN 80 Ca 0.07 -0.02 -0.27 0.00 -1.45 0.00 0.00 58.65 56.98 2k9a h GLN 80 Cb 0.01 -0.09 0.01 0.00 -0.05 0.00 0.00 27.48 27.37 2k9a h GLN 80 CO -0.01 0.26 -1.18 -0.07 -0.95 0.00 0.00 178.83 176.88 2k9a h LEU 81 N 0.41 0.60 -1.27 1.46 3.38 -0.95 -3.25 115.31 115.68 2k9a h LEU 81 Ca 0.12 -0.57 -0.04 0.00 0.09 0.00 0.00 57.88 57.47 2k9a h LEU 81 Cb -0.02 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.53 2k9a h LEU 81 CO -0.03 1.41 -0.20 -0.07 0.09 0.00 0.00 178.44 179.64 2k9a h LEU 82 N 0.17 0.00 -2.46 1.67 -0.00 -0.84 -2.39 115.31 111.46 2k9a h LEU 82 Ca -0.14 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.74 2k9a h LEU 82 Cb 1.87 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 42.53 2k9a h LEU 82 CO 0.21 0.20 0.04 1.56 -0.00 0.00 0.00 178.44 180.45 2k9a h GLN 83 N 0.00 0.00 0.00 1.13 4.20 -1.42 -1.84 115.11 117.18 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 0.67 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.45 2k9a h GLN 83 CO 0.03 0.00 -0.78 0.54 -0.67 0.00 0.00 178.83 177.95 2k9a n ARG 84 N -2.83 2.28 -3.64 1.46 5.12 -1.02 -4.93 116.66 113.10 2k9a n ARG 84 Ca -0.02 -0.02 -0.29 0.00 -1.93 0.00 0.00 57.85 55.58 2k9a n ARG 84 Cb 0.10 -0.92 -0.15 0.00 -1.16 0.00 0.00 32.46 30.33 2k9a n ARG 84 CO 0.00 0.00 0.00 0.42 -1.93 0.00 0.00 177.63 176.12 2k9a s ILE 85 N -1.88 0.44 -1.18 0.55 1.01 -0.69 -4.98 121.20 114.47 2k9a s ILE 85 Ca -0.00 -1.14 0.23 0.00 0.00 0.00 0.00 60.65 59.74 2k9a s ILE 85 Cb 0.02 -1.35 0.28 0.00 0.01 0.00 0.00 42.46 41.42 2k9a s ILE 85 CO 0.13 -0.71 1.74 -0.81 0.00 0.00 0.00 174.94 175.29 2k9a n PRO 86 N 4.99 0.14 -0.27 2.79 -0.04 -1.23 -2.56 135.00 138.81 2k9a n PRO 86 Ca -0.03 0.09 0.07 0.00 -0.04 0.00 0.00 63.50 63.60 2k9a n PRO 86 Cb 0.42 -1.50 0.19 0.00 -0.04 0.00 0.00 33.50 32.57 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 -1.41 2.60 -1.89 0.54 0.28 -1.26 -5.04 120.64 114.46 2k9a n GLU 87 Ca 0.08 -2.50 -0.37 0.00 -0.16 0.00 0.00 57.16 54.21 2k9a n GLU 87 Cb 0.23 -1.58 0.04 0.00 1.43 0.00 0.00 31.44 31.57 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 -2.28 2.32 -0.51 -1.84 5.36 -1.06 -5.00 117.98 114.97 2k9a s PHE 88 Ca 0.32 1.46 0.03 0.00 -0.96 0.00 0.00 56.93 57.78 2k9a s PHE 88 Cb 0.25 -3.64 0.16 0.00 -0.34 0.00 0.00 43.02 39.44 2k9a s PHE 88 CO 0.08 -2.58 0.35 1.21 -1.46 0.00 0.00 175.22 172.82 2k9a s ASN 89 N -1.29 3.26 0.43 6.13 3.04 -1.26 -4.96 114.94 120.29 2k9a s ASN 89 Ca 0.75 -3.12 0.11 0.00 0.04 0.00 0.00 52.86 50.65 2k9a s ASN 89 Cb -0.36 -1.00 0.97 0.00 -1.54 0.00 0.00 41.25 39.32 2k9a s ASN 89 CO 0.40 -0.18 2.01 -0.03 -3.04 0.00 0.00 177.10 176.26 2k9a h MET 90 N 5.99 0.44 0.49 0.43 1.85 -1.98 0.11 114.93 122.26 2k9a h MET 90 Ca 0.13 -0.03 -0.02 0.00 -0.61 0.00 0.00 59.70 59.17 2k9a h MET 90 Cb 0.87 -0.10 0.00 0.00 0.43 0.00 0.00 31.60 32.81 2k9a h MET 90 CO 0.51 0.29 -0.24 0.00 -0.40 0.00 0.00 176.91 177.07 2k9a h ALA 91 N 1.72 -0.66 0.00 0.39 0.00 -2.00 -1.27 119.26 117.44 2k9a h ALA 91 Ca 0.22 -0.18 -0.06 0.00 0.00 0.00 0.00 54.91 54.89 2k9a h ALA 91 Cb 0.30 0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.34 2k9a h ALA 91 CO -0.06 -0.77 -0.27 0.00 0.00 0.00 0.00 179.25 178.15 2k9a h ALA 92 N -0.47 1.12 -0.00 0.00 0.00 -1.93 -2.75 119.26 115.23 2k9a h ALA 92 Ca -0.07 -0.24 -0.00 0.00 0.00 0.00 0.00 54.91 54.60 2k9a h ALA 92 Cb 0.59 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.33 2k9a h ALA 92 CO 0.11 0.33 -0.00 0.35 0.00 0.00 0.00 179.25 180.04 2k9a h PHE 93 N 0.00 0.01 -0.24 0.00 3.57 -0.70 -2.46 116.94 117.12 2k9a h PHE 93 Ca -0.00 -0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.49 2k9a h PHE 93 Cb 0.68 -0.00 -0.01 0.00 2.79 0.00 0.00 35.95 39.41 2k9a h PHE 93 CO 0.00 0.53 0.13 1.79 -2.23 0.00 0.00 178.31 178.52 2k9a h THR 94 N -0.51 1.13 -0.28 4.41 1.35 -1.20 0.11 112.91 117.92 2k9a h THR 94 Ca 0.00 -0.36 0.04 0.00 -0.55 0.00 0.00 66.41 65.54 2k9a h THR 94 Cb 0.53 0.93 -0.04 0.00 -1.73 0.00 0.00 68.15 67.83 2k9a h THR 94 CO 0.00 0.13 0.03 0.71 -0.25 0.00 0.00 175.52 176.13 2k9a h THR 95 N 0.27 0.83 0.00 6.82 1.35 -1.56 -1.49 112.91 119.13 2k9a h THR 95 Ca 0.08 -0.04 -0.09 0.00 -0.55 0.00 0.00 66.41 65.82 2k9a h THR 95 Cb 0.09 0.71 -0.01 0.00 -1.73 0.00 0.00 68.15 67.21 2k9a h THR 95 CO -0.01 0.02 -0.42 0.74 -0.25 0.00 0.00 175.52 175.60 2k9a h THR 96 N 0.12 1.28 -0.68 6.82 2.02 -1.32 -2.88 112.91 118.27 2k9a h THR 96 Ca 0.13 -1.45 0.00 0.00 0.77 0.00 0.00 66.41 65.86 2k9a h THR 96 Cb 0.16 1.79 -0.03 0.00 -1.74 0.00 0.00 68.15 68.32 2k9a h THR 96 CO -0.20 0.41 0.42 0.25 0.37 0.00 0.00 175.52 176.78 2k9a h LEU 97 N 0.00 0.80 -0.88 2.58 6.46 0.24 -1.81 115.31 122.70 2k9a h LEU 97 Ca -0.00 -0.03 0.17 0.00 -0.12 0.00 0.00 57.88 57.89 2k9a h LEU 97 Cb 0.75 -0.20 -0.10 0.00 -0.73 0.00 0.00 40.66 40.38 2k9a h LEU 97 CO 0.05 0.60 0.45 1.56 -0.62 0.00 0.00 178.44 180.49 2k9a h GLN 98 N 0.93 0.58 0.12 1.25 4.20 -1.19 0.33 115.11 121.33 2k9a h GLN 98 Ca 0.25 -0.04 -0.26 0.00 0.06 0.00 0.00 58.65 58.66 2k9a h GLN 98 Cb -0.06 -0.13 0.03 0.00 0.30 0.00 0.00 27.48 27.61 2k9a h GLN 98 CO -0.05 0.39 -1.11 0.45 -0.67 0.00 0.00 178.83 177.84 2k9a h HIS 99 N 0.60 0.89 0.00 2.96 3.86 -1.57 -3.13 115.15 118.76 2k9a h HIS 99 Ca 0.50 -0.57 0.00 0.00 -1.16 0.00 0.00 60.37 59.14 2k9a h HIS 99 Cb 0.76 -0.07 0.00 0.00 1.06 0.00 0.00 27.41 29.16 2k9a h HIS 99 CO -0.09 1.42 0.00 0.72 0.86 0.00 0.00 177.93 180.84 2k9a n HIS 100 N -3.90 0.00 0.29 2.45 8.25 -0.48 -2.66 115.22 119.17 2k9a n HIS 100 Ca -0.14 0.00 0.16 0.00 -0.26 0.00 0.00 57.72 57.48 2k9a n HIS 100 Cb 0.93 -0.08 0.89 0.00 1.12 0.00 0.00 29.99 32.85 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 -0.34 0.58 116.57 120.04 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 0.04 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.86 2k9a h LYS 101 CO 0.00 0.05 0.00 0.22 -2.27 0.00 0.00 179.45 177.45 2k9a h ASP 102 N 0.00 0.00 0.00 4.20 3.58 -1.75 -3.37 116.42 119.08 2k9a h ASP 102 Ca -0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 2k9a h ASP 102 Cb 0.16 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.21 2k9a h ASP 102 CO 0.01 0.00 -0.68 1.21 -2.88 0.00 0.00 179.24 176.90 2k9a n GLU 103 N -2.34 0.36 -0.99 0.28 4.07 -0.01 -5.02 120.64 117.01 2k9a n GLU 103 Ca 0.05 0.14 -0.32 0.00 -0.06 0.00 0.00 57.16 56.97 2k9a n GLU 103 Cb 0.39 -1.12 0.13 0.00 -0.06 0.00 0.00 31.44 30.78 2k9a n GLU 103 CO 0.00 0.00 0.00 0.54 -0.06 0.00 0.00 177.13 177.61 2k9a s VAL 104 N -2.48 2.39 -0.39 6.31 0.11 -0.06 -4.82 120.40 121.46 2k9a s VAL 104 Ca -0.20 0.14 -0.31 0.00 -2.93 0.00 0.00 61.98 58.68 2k9a s VAL 104 Cb 0.03 -2.38 -0.09 0.00 -1.53 0.00 0.00 36.38 32.40 2k9a s VAL 104 CO 0.29 -0.15 2.28 0.00 -3.33 0.00 0.00 175.10 174.20 2k9a n ALA 105 N -3.74 1.17 0.17 1.54 0.00 -1.26 -4.78 120.51 113.61 2k9a n ALA 105 Ca 0.12 -0.31 0.03 0.00 0.00 0.00 0.00 53.44 53.28 2k9a n ALA 105 Cb 0.52 -2.77 0.41 0.00 0.00 0.00 0.00 19.45 17.61 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 14.62 0.11 1.01 0.00 0.00 -1.88 -2.57 103.07 114.35 2k9a h GLY 106 Ca -0.29 -0.07 -0.03 0.00 0.00 0.00 0.00 47.33 46.94 2k9a h GLY 106 CO 1.06 0.07 0.32 -1.80 0.00 0.00 0.00 176.54 176.18 2k9a h ASP 107 N 0.10 0.88 -0.02 0.19 3.58 -1.95 0.11 116.42 119.31 2k9a h ASP 107 Ca 0.02 -0.14 -0.01 0.00 0.42 0.00 0.00 57.03 57.32 2k9a h ASP 107 Cb 0.44 -0.23 0.00 0.00 1.72 0.00 0.00 39.33 41.27 2k9a h ASP 107 CO 0.03 0.77 -0.03 0.40 -2.88 0.00 0.00 179.24 177.53 2k9a h ILE 108 N 0.93 1.44 0.00 2.25 2.04 -1.90 -3.19 117.51 119.08 2k9a h ILE 108 Ca 0.23 -1.35 -0.04 0.00 1.00 0.00 0.00 64.86 64.70 2k9a h ILE 108 Cb 0.13 2.31 -0.01 0.00 -0.74 0.00 0.00 36.82 38.51 2k9a h ILE 108 CO -0.03 0.36 -0.18 0.15 0.00 0.00 0.00 178.15 178.45 2k9a h PHE 109 N -0.49 0.00 -1.08 1.37 3.57 -1.43 -2.64 116.94 116.24 2k9a h PHE 109 Ca 0.00 0.00 0.31 0.00 3.53 0.00 0.00 57.97 61.81 2k9a h PHE 109 Cb 0.60 0.00 -0.04 0.00 2.79 0.00 0.00 35.95 39.30 2k9a h PHE 109 CO 0.12 0.18 0.80 0.22 -2.23 0.00 0.00 178.31 177.40 2k9a h ASP 110 N 0.00 0.00 -0.01 0.41 3.58 -0.76 0.54 116.42 120.17 2k9a h ASP 110 Ca -0.00 0.00 -0.01 0.00 0.42 0.00 0.00 57.03 57.43 2k9a h ASP 110 Cb 0.34 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.39 2k9a h ASP 110 CO 0.02 0.00 -0.04 -0.03 -2.88 0.00 0.00 179.24 176.31 2k9a h MET 111 N 0.00 0.05 0.00 0.28 4.05 -1.62 -3.14 114.93 114.55 2k9a h MET 111 Ca 0.51 -0.04 -0.02 0.00 -0.28 0.00 0.00 59.70 59.87 2k9a h MET 111 Cb 2.11 0.01 -0.00 0.00 -0.80 0.00 0.00 31.60 32.91 2k9a h MET 111 CO -0.01 0.67 -0.11 -0.07 0.23 0.00 0.00 176.91 177.63 2k9a h LEU 112 N -0.56 0.00 -1.90 3.39 3.38 -0.64 -2.78 115.31 116.20 2k9a h LEU 112 Ca -0.00 0.00 0.20 0.00 0.09 0.00 0.00 57.88 58.17 2k9a h LEU 112 Cb 0.68 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.40 2k9a h LEU 112 CO 0.01 0.11 0.61 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 -0.07 0.95 115.31 123.71 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 -3.88 0.00 0.03 1.05 -2.24 -1.05 -2.37 114.28 105.83 2k9a n THR 114 Ca 0.14 0.00 -0.00 0.00 -2.27 0.00 0.00 64.05 61.92 2k9a n THR 114 Cb 0.86 -0.72 0.30 0.00 -2.10 0.00 0.00 70.33 68.68 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 0.46 0.00 4.78 0.04 -1.07 -3.39 116.94 117.76 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 0.00 -0.13 0.00 0.00 2.20 0.00 0.00 35.95 38.02 2k9a h PHE 115 CO 0.00 0.53 -0.09 0.25 -0.60 0.00 0.00 178.31 178.40 2k9a n THR 116 N -4.24 0.00 -2.26 -1.55 -2.24 -1.11 -4.99 114.28 97.89 2k9a n THR 116 Ca 0.00 0.00 -0.33 0.00 -2.27 0.00 0.00 64.05 61.45 2k9a n THR 116 Cb 0.29 -0.06 -0.04 0.00 -2.10 0.00 0.00 70.33 68.42 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 -0.95 5.72 0.41 3.42 1.11 -1.00 -4.78 116.67 120.60 2k9a s ASP 117 Ca 0.00 -1.32 0.09 0.00 0.18 0.00 0.00 52.55 51.49 2k9a s ASP 117 Cb 0.00 -2.57 0.89 0.00 1.07 0.00 0.00 42.92 42.31 2k9a s ASP 117 CO 0.00 -2.26 2.03 0.15 1.18 0.00 0.00 175.17 176.27 2k9a h PHE 118 N 10.07 0.52 -0.74 4.23 3.57 -1.88 -1.23 116.94 131.49 2k9a h PHE 118 Ca 0.20 0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.69 2k9a h PHE 118 Cb 0.98 -0.18 -0.04 0.00 2.79 0.00 0.00 35.95 39.50 2k9a h PHE 118 CO 1.26 0.31 0.39 -0.07 -2.23 0.00 0.00 178.31 177.97 2k9a h LEU 119 N 0.54 0.93 -0.43 0.59 -0.00 -1.98 -1.85 115.31 113.12 2k9a h LEU 119 Ca 0.20 -0.08 -0.12 0.00 -0.00 0.00 0.00 57.88 57.88 2k9a h LEU 119 Cb 0.13 -0.24 -0.02 0.00 -0.00 0.00 0.00 40.66 40.53 2k9a h LEU 119 CO -0.05 0.76 -0.57 0.00 -0.00 0.00 0.00 178.44 178.58 2k9a h ALA 120 N 1.39 0.76 0.31 1.53 0.00 -1.64 -2.28 119.26 119.33 2k9a h ALA 120 Ca 0.26 -0.52 -0.02 0.00 0.00 0.00 0.00 54.91 54.63 2k9a h ALA 120 Cb 0.05 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.76 2k9a h ALA 120 CO -0.04 0.72 -0.15 0.35 0.00 0.00 0.00 179.25 180.13 2k9a h PHE 121 N 0.00 -0.39 -0.54 0.00 3.57 -0.56 -0.87 116.94 118.16 2k9a h PHE 121 Ca -0.01 -0.01 -0.06 0.00 3.53 0.00 0.00 57.97 61.43 2k9a h PHE 121 Cb 1.26 0.13 -0.02 0.00 2.79 0.00 0.00 35.95 40.10 2k9a h PHE 121 CO 0.00 -0.07 0.10 -0.22 -2.23 0.00 0.00 178.31 175.90 2k9a h LYS 122 N -0.74 0.88 -0.54 1.11 3.64 -1.46 -2.47 116.57 117.00 2k9a h LYS 122 Ca -0.04 -0.23 0.04 0.00 -1.27 0.00 0.00 60.65 59.15 2k9a h LYS 122 Cb 0.50 -0.11 -0.03 0.00 -0.41 0.00 0.00 32.23 32.18 2k9a h LYS 122 CO 0.07 0.85 0.36 1.49 -2.27 0.00 0.00 179.45 179.94 2k9a h GLU 123 N 0.77 0.58 -0.52 1.90 4.22 -1.42 -1.64 114.58 118.47 2k9a h GLU 123 Ca 0.17 -0.03 -0.09 0.00 0.08 0.00 0.00 59.36 59.48 2k9a h GLU 123 Cb 0.38 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.48 2k9a h GLU 123 CO 0.01 0.38 -0.03 1.98 -2.18 0.00 0.00 179.01 179.17 2k9a h MET 124 N 0.60 0.94 0.05 1.92 4.05 -0.70 -2.38 114.93 119.40 2k9a h MET 124 Ca 0.22 -0.32 -0.00 0.00 -0.28 0.00 0.00 59.70 59.32 2k9a h MET 124 Cb 0.12 -0.08 0.00 0.00 -0.80 0.00 0.00 31.60 30.85 2k9a h MET 124 CO -0.06 0.98 -0.02 0.74 0.23 0.00 0.00 176.91 178.77 2k9a h PHE 125 N 0.81 -0.06 -0.92 1.39 0.04 -1.01 -1.07 116.94 116.11 2k9a h PHE 125 Ca 0.14 -0.00 0.07 0.00 2.80 0.00 0.00 57.97 60.98 2k9a h PHE 125 Cb 0.57 0.02 -0.06 0.00 2.20 0.00 0.00 35.95 38.68 2k9a h PHE 125 CO 0.04 0.13 0.60 -0.07 -0.60 0.00 0.00 178.31 178.41 2k9a h LEU 126 N -0.25 0.93 -0.01 1.54 4.07 -1.39 0.00 115.31 120.21 2k9a h LEU 126 Ca -0.01 0.01 -0.00 0.00 0.08 0.00 0.00 57.88 57.96 2k9a h LEU 126 Cb 0.22 -0.19 -0.00 0.00 1.08 0.00 0.00 40.66 41.77 2k9a h LEU 126 CO 0.01 0.59 -0.00 -0.78 -1.08 0.00 0.00 178.44 177.18 2k9a h ASP 127 N 1.05 0.02 -0.47 -0.43 3.58 -1.27 -2.21 116.42 116.68 2k9a h ASP 127 Ca 0.40 -0.37 0.00 0.00 0.42 0.00 0.00 57.03 57.47 2k9a h ASP 127 Cb 0.20 -0.01 -0.02 0.00 1.72 0.00 0.00 39.33 41.22 2k9a h ASP 127 CO -0.15 0.39 0.30 0.22 -2.88 0.00 0.00 179.24 177.12 2k9a h TYR 128 N -0.35 0.61 -0.41 0.28 3.20 -0.81 -1.88 116.97 117.61 2k9a h TYR 128 Ca 0.00 0.01 -0.12 0.00 3.14 0.00 0.00 58.73 61.76 2k9a h TYR 128 Cb 0.38 -0.21 -0.01 0.00 1.54 0.00 0.00 36.73 38.43 2k9a h TYR 128 CO 0.05 0.40 -0.24 -0.09 -1.64 0.00 0.00 178.16 176.65 2k9a h ARG 129 N 0.66 0.85 -0.03 1.82 2.43 -0.92 -2.84 114.38 116.34 2k9a h ARG 129 Ca 0.18 -0.36 -0.09 0.00 -0.81 0.00 0.00 59.98 58.90 2k9a h ARG 129 Cb -0.05 -0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 29.46 2k9a h ARG 129 CO -0.04 0.99 -0.38 0.00 -1.51 0.00 0.00 179.97 179.03 2k9a h ALA 130 N 1.00 1.30 0.00 2.80 0.00 -0.72 -2.33 119.26 121.31 2k9a h ALA 130 Ca 0.10 -0.36 0.00 0.00 0.00 0.00 0.00 54.91 54.64 2k9a h ALA 130 Cb 0.77 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.49 2k9a h ALA 130 CO 0.06 0.51 0.00 0.93 0.00 0.00 0.00 179.25 180.75 2k9a h GLU 131 N 0.06 0.00 -0.31 0.00 5.08 -1.16 -2.99 114.58 115.27 2k9a h GLU 131 Ca 0.00 0.00 -0.05 0.00 -1.00 0.00 0.00 59.36 58.32 2k9a h GLU 131 Cb 0.71 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.94 2k9a h GLU 131 CO 0.05 0.00 -0.01 0.87 -1.00 0.00 0.00 179.01 178.92 2k9a h LYS 132 N 0.00 0.47 -0.00 2.33 1.79 -1.29 -1.91 116.57 117.95 2k9a h LYS 132 Ca 0.00 -0.10 0.00 0.00 -2.18 0.00 0.00 60.65 58.37 2k9a h LYS 132 Cb 0.54 -0.07 0.00 0.00 -1.58 0.00 0.00 32.23 31.12 2k9a h LYS 132 CO 0.00 0.50 -0.50 0.39 -1.08 0.00 0.00 179.45 178.76 2k9a n GLU 133 N -4.29 0.19 0.08 3.15 1.02 -1.13 -4.37 120.64 115.29 2k9a n GLU 133 Ca 0.01 -0.12 -0.04 0.00 -0.02 0.00 0.00 57.16 56.99 2k9a n GLU 133 Cb 0.24 -1.50 -0.02 0.00 -0.02 0.00 0.00 31.44 30.14 2k9a n GLU 133 CO 0.00 0.00 0.00 0.78 1.18 0.00 0.00 177.13 179.09 2k9a h GLY 134 N 4.98 -0.29 -3.21 0.62 0.00 -1.34 -3.50 103.07 100.35 2k9a h GLY 134 Ca 0.00 0.11 0.39 0.00 0.00 0.00 0.00 47.33 47.82 2k9a h GLY 134 CO 0.00 -0.10 -0.57 0.54 0.00 0.00 0.00 176.54 176.40 2k9a n ARG 135 N -4.10 -2.91 -0.50 4.80 1.74 -1.14 -5.12 116.66 109.42 2k9a n ARG 135 Ca -0.03 1.96 0.00 0.00 -0.77 0.00 0.00 57.85 59.01 2k9a n ARG 135 Cb 0.11 -3.54 0.00 0.00 -1.02 0.00 0.00 32.46 28.01 2k9a n ARG 135 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52