#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 0.37 -2.36 3.17 9.92 -1.26 -5.14 116.55 121.25 2k9a n ASP 2 Ca 0.00 0.00 -0.02 0.00 -0.53 0.00 0.00 54.79 54.24 2k9a n ASP 2 Cb 0.00 0.02 -0.02 0.00 -0.64 0.00 0.00 41.12 40.48 2k9a n ASP 2 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2k9a n ALA 3 N -1.13 -2.67 -3.56 2.24 0.00 -1.26 -5.08 120.51 109.05 2k9a n ALA 3 Ca 0.00 1.15 -0.13 0.00 0.00 0.00 0.00 53.44 54.46 2k9a n ALA 3 Cb 0.04 -2.56 -0.08 0.00 0.00 0.00 0.00 19.45 16.85 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 -0.59 -0.48 0.00 0.00 2.96 -1.26 -5.03 118.68 114.28 2k9a s LEU 4 Ca -0.10 1.30 0.00 0.00 -0.22 0.00 0.00 54.13 55.10 2k9a s LEU 4 Cb 0.01 2.18 0.00 0.00 0.50 0.00 0.00 46.19 48.87 2k9a s LEU 4 CO 0.28 -0.22 0.00 1.21 -1.32 0.00 0.00 176.35 176.29 2k9a n GLU 5 N 2.98 4.07 -2.24 1.98 2.13 -1.26 -5.04 120.64 123.27 2k9a n GLU 5 Ca -0.15 0.00 -0.43 0.00 0.66 0.00 0.00 57.16 57.24 2k9a n GLU 5 Cb 0.56 -0.60 -0.02 0.00 0.27 0.00 0.00 31.44 31.64 2k9a n GLU 5 CO 0.00 0.00 0.00 0.20 -0.41 0.00 0.00 177.13 176.92 2k9a s GLY 6 N -0.59 0.97 -0.31 8.31 0.00 -1.26 -4.97 107.32 109.48 2k9a s GLY 6 Ca 0.00 -0.07 -0.26 0.00 0.00 0.00 0.00 44.72 44.39 2k9a s GLY 6 CO 0.00 2.93 0.90 1.85 0.00 0.00 0.00 173.10 178.79 2k9a s GLU 7 N 5.23 4.00 -0.14 2.90 2.12 -1.26 -5.01 118.70 126.54 2k9a s GLU 7 Ca 0.66 0.78 -0.23 0.00 0.36 0.00 0.00 54.97 56.54 2k9a s GLU 7 Cb -0.16 -3.73 0.06 0.00 0.26 0.00 0.00 34.13 30.55 2k9a s GLU 7 CO 0.32 -0.77 0.58 0.45 -0.54 0.00 0.00 175.26 175.30 2k9a s SER 8 N 1.63 -0.57 0.15 -1.70 0.15 -1.26 -5.09 113.70 107.01 2k9a s SER 8 Ca 0.38 0.88 0.00 0.00 0.70 0.00 0.00 55.95 57.90 2k9a s SER 8 Cb -0.13 0.86 0.00 0.00 -1.71 0.00 0.00 66.02 65.04 2k9a s SER 8 CO 0.14 -0.37 0.00 0.49 1.20 0.00 0.00 173.24 174.69 2k9a n PHE 9 N 1.94 -0.73 -3.70 3.44 3.01 -1.26 -5.12 117.46 115.04 2k9a n PHE 9 Ca -0.17 0.13 -0.13 0.00 1.01 0.00 0.00 57.45 58.29 2k9a n PHE 9 Cb 0.56 0.18 -0.09 0.00 -0.01 0.00 0.00 39.48 40.12 2k9a n PHE 9 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 2k9a s ALA 10 N -2.00 -1.25 0.47 4.37 0.00 -1.26 -5.18 121.76 116.91 2k9a s ALA 10 Ca 0.00 1.45 0.07 0.00 0.00 0.00 0.00 51.96 53.48 2k9a s ALA 10 Cb 0.00 -0.85 0.08 0.00 0.00 0.00 0.00 23.12 22.35 2k9a s ALA 10 CO 0.00 -0.24 0.64 1.28 0.00 0.00 0.00 175.76 177.44 2k9a n LEU 11 N 2.93 0.00 0.00 0.00 7.99 -1.26 -5.12 117.00 121.54 2k9a n LEU 11 Ca -0.14 -1.93 -0.04 0.00 -0.01 0.00 0.00 56.01 53.89 2k9a n LEU 11 Cb 0.56 -0.35 0.03 0.00 -0.11 0.00 0.00 43.42 43.56 2k9a n LEU 11 CO 0.10 -0.68 0.10 -1.20 -1.51 0.00 0.00 177.39 174.19 2k9a n SER 12 N -2.52 -0.55 -2.66 -1.43 7.64 -1.26 -5.06 113.62 107.78 2k9a n SER 12 Ca 0.13 -0.84 -0.06 0.00 1.01 0.00 0.00 58.87 59.11 2k9a n SER 12 Cb 0.47 -0.14 0.05 0.00 -1.01 0.00 0.00 64.21 63.58 2k9a n SER 12 CO 0.00 0.00 0.00 0.49 -3.01 0.00 0.00 175.04 172.52 2k9a n PHE 13 N -2.53 -3.33 -2.57 1.43 3.72 -1.26 -4.95 117.46 107.97 2k9a n PHE 13 Ca 0.02 -0.21 -0.43 0.00 -0.05 0.00 0.00 57.45 56.78 2k9a n PHE 13 Cb 0.08 -0.23 -0.02 0.00 -0.94 0.00 0.00 39.48 38.37 2k9a n PHE 13 CO 0.00 0.00 0.00 -1.12 -0.05 0.00 0.00 176.76 175.59 2k9a s SER 14 N -2.09 6.94 0.00 4.37 0.01 -1.26 -4.66 113.70 117.02 2k9a s SER 14 Ca 0.15 1.29 0.00 0.00 1.31 0.00 0.00 55.95 58.70 2k9a s SER 14 Cb -0.01 -2.54 0.00 0.00 0.21 0.00 0.00 66.02 63.68 2k9a s SER 14 CO 0.11 -0.83 0.00 -0.24 0.41 0.00 0.00 173.24 172.69 2k9a n SER 15 N 6.78 0.00 0.30 2.44 2.88 -1.26 -4.69 113.62 120.08 2k9a n SER 15 Ca 0.13 0.00 0.19 0.00 -1.33 0.00 0.00 58.87 57.86 2k9a n SER 15 Cb 0.46 0.00 1.02 0.00 -0.75 0.00 0.00 64.21 64.94 2k9a n SER 15 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2k9a h ALA 16 N 0.00 1.32 0.00 -1.46 0.00 -1.93 0.36 119.26 117.56 2k9a h ALA 16 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2k9a h ALA 16 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 2k9a h ALA 16 CO 0.00 -0.11 -0.04 0.45 0.00 0.00 0.00 179.25 179.55 2k9a n SER 17 N -3.35 2.00 0.00 0.00 2.88 -1.26 -3.83 113.62 110.07 2k9a n SER 17 Ca -0.02 -2.63 0.00 0.00 -1.33 0.00 0.00 58.87 54.89 2k9a n SER 17 Cb 0.17 -0.28 0.00 0.00 -0.75 0.00 0.00 64.21 63.36 2k9a n SER 17 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 2k9a n ASP 18 N -1.02 0.00 0.21 -3.46 9.92 -0.25 -4.86 116.55 117.08 2k9a n ASP 18 Ca 0.10 0.00 -0.12 0.00 -0.53 0.00 0.00 54.79 54.23 2k9a n ASP 18 Cb 0.53 0.00 -0.07 0.00 -0.64 0.00 0.00 41.12 40.94 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 1.00 -0.57 -0.66 2.24 0.00 -1.77 -2.90 119.26 116.60 2k9a h ALA 19 Ca 0.00 -0.18 0.08 0.00 0.00 0.00 0.00 54.91 54.80 2k9a h ALA 19 Cb 0.00 0.22 -0.04 0.00 0.00 0.00 0.00 17.79 17.97 2k9a h ALA 19 CO 0.00 -0.61 0.44 1.49 0.00 0.00 0.00 179.25 180.57 2k9a h GLU 20 N -0.99 0.58 -0.81 0.00 4.57 -0.68 -1.33 114.58 115.92 2k9a h GLU 20 Ca -0.06 -0.03 -0.01 0.00 -1.18 0.00 0.00 59.36 58.08 2k9a h GLU 20 Cb 0.55 -0.13 -0.04 0.00 -0.16 0.00 0.00 28.75 28.98 2k9a h GLU 20 CO 0.10 0.38 0.48 0.35 -1.18 0.00 0.00 179.01 179.14 2k9a h PHE 21 N 0.59 1.07 -0.19 0.92 3.57 -1.43 -1.82 116.94 119.65 2k9a h PHE 21 Ca 0.29 -0.01 -0.09 0.00 3.53 0.00 0.00 57.97 61.70 2k9a h PHE 21 Cb 0.38 -0.35 -0.01 0.00 2.79 0.00 0.00 35.95 38.76 2k9a h PHE 21 CO -0.00 0.72 -0.29 0.22 -2.23 0.00 0.00 178.31 176.73 2k9a h ASP 22 N 1.11 0.37 0.36 0.41 3.58 -1.05 -2.56 116.42 118.64 2k9a h ASP 22 Ca 0.29 -0.13 -0.02 0.00 0.42 0.00 0.00 57.03 57.59 2k9a h ASP 22 Cb -0.03 -0.10 0.00 0.00 1.72 0.00 0.00 39.33 40.92 2k9a h ASP 22 CO -0.05 0.65 -0.17 0.00 -2.88 0.00 0.00 179.24 176.79 2k9a h ALA 23 N 1.38 -0.48 -0.73 -0.78 0.00 -0.93 -2.61 119.26 115.11 2k9a h ALA 23 Ca 0.05 -0.17 0.07 0.00 0.00 0.00 0.00 54.91 54.85 2k9a h ALA 23 Cb 0.68 0.19 -0.06 0.00 0.00 0.00 0.00 17.79 18.59 2k9a h ALA 23 CO 0.05 -0.64 0.41 -0.24 0.00 0.00 0.00 179.25 178.83 2k9a h VAL 24 N -0.74 0.95 -0.73 0.00 3.04 -1.36 -1.53 116.25 115.89 2k9a h VAL 24 Ca -0.05 -0.25 0.10 0.00 -1.01 0.00 0.00 66.70 65.49 2k9a h VAL 24 Cb 0.50 0.15 -0.08 0.00 -2.01 0.00 0.00 31.29 29.86 2k9a h VAL 24 CO 0.08 0.13 0.36 0.58 -1.01 0.00 0.00 177.57 177.71 2k9a h VAL 25 N 0.74 0.82 -0.44 1.51 2.07 -1.43 -0.61 116.25 118.90 2k9a h VAL 25 Ca 0.33 -0.20 0.01 0.00 0.82 0.00 0.00 66.70 67.66 2k9a h VAL 25 Cb 0.24 0.18 -0.03 0.00 -1.52 0.00 0.00 31.29 30.16 2k9a h VAL 25 CO -0.20 0.11 0.28 1.23 0.02 0.00 0.00 177.57 179.00 2k9a h GLY 26 N 0.59 0.62 1.21 2.17 0.00 -0.89 -2.09 103.07 104.69 2k9a h GLY 26 Ca 0.37 -0.22 -0.01 0.00 0.00 0.00 0.00 47.33 47.47 2k9a h GLY 26 CO -0.29 0.20 0.42 -0.97 0.00 0.00 0.00 176.54 175.90 2k9a h TYR 27 N 0.57 1.02 -0.64 5.60 0.05 -0.95 -2.37 116.97 120.24 2k9a h TYR 27 Ca 0.17 -0.02 0.02 0.00 0.05 0.00 0.00 58.73 58.95 2k9a h TYR 27 Cb -0.03 -0.33 -0.04 0.00 1.01 0.00 0.00 36.73 37.34 2k9a h TYR 27 CO -0.06 0.70 0.41 -0.07 -1.05 0.00 0.00 178.16 178.09 2k9a h LEU 28 N 1.05 0.69 -0.93 3.88 3.38 -0.54 -0.80 115.31 122.04 2k9a h LEU 28 Ca 0.27 -0.01 -0.02 0.00 0.09 0.00 0.00 57.88 58.21 2k9a h LEU 28 Cb 0.01 -0.16 -0.04 0.00 0.09 0.00 0.00 40.66 40.56 2k9a h LEU 28 CO -0.04 0.49 0.51 -0.33 0.09 0.00 0.00 178.44 179.15 2k9a h GLU 29 N 0.82 1.26 -0.24 1.13 5.08 -0.89 0.12 114.58 121.86 2k9a h GLU 29 Ca 0.25 -0.14 -0.13 0.00 -1.00 0.00 0.00 59.36 58.34 2k9a h GLU 29 Cb -0.03 -0.25 -0.01 0.00 0.50 0.00 0.00 28.75 28.96 2k9a h GLU 29 CO -0.08 0.91 -0.39 0.22 -1.00 0.00 0.00 179.01 178.67 2k9a h ASP 30 N 1.27 0.58 0.02 1.42 3.58 -1.07 -2.36 116.42 119.87 2k9a h ASP 30 Ca 0.32 -0.25 -0.21 0.00 0.42 0.00 0.00 57.03 57.30 2k9a h ASP 30 Cb 0.01 -0.16 0.01 0.00 1.72 0.00 0.00 39.33 40.90 2k9a h ASP 30 CO -0.05 0.91 -0.80 0.40 -2.88 0.00 0.00 179.24 176.82 2k9a h ILE 31 N 0.46 1.32 -0.55 2.25 2.04 -0.72 -2.60 117.51 119.72 2k9a h ILE 31 Ca 0.04 -2.08 -0.11 0.00 1.00 0.00 0.00 64.86 63.72 2k9a h ILE 31 Cb 0.88 2.08 -0.02 0.00 -0.74 0.00 0.00 36.82 39.03 2k9a h ILE 31 CO 0.08 0.64 -0.08 0.40 0.00 0.00 0.00 178.15 179.19 2k9a h ILE 32 N 0.43 1.27 -0.17 -0.67 2.04 -0.94 -2.41 117.51 117.05 2k9a h ILE 32 Ca -0.05 -1.24 0.00 0.00 1.00 0.00 0.00 64.86 64.57 2k9a h ILE 32 Cb 1.41 0.95 0.00 0.00 -0.74 0.00 0.00 36.82 38.44 2k9a h ILE 32 CO 0.15 0.44 0.00 0.23 0.00 0.00 0.00 178.15 178.97 2k9a n MET 33 N -4.17 1.47 -2.65 2.37 2.81 -0.89 -4.56 117.12 111.49 2k9a n MET 33 Ca 0.02 -0.72 -0.40 0.00 -1.81 0.00 0.00 57.70 54.78 2k9a n MET 33 Cb 0.39 -1.23 -0.05 0.00 -0.71 0.00 0.00 33.22 31.62 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 -1.20 7.49 0.23 7.83 2.15 -0.91 -4.96 116.67 127.31 2k9a s ASP 34 Ca 0.20 2.02 -0.07 0.00 0.43 0.00 0.00 52.55 55.12 2k9a s ASP 34 Cb 0.10 -2.61 0.27 0.00 -0.30 0.00 0.00 42.92 40.39 2k9a s ASP 34 CO 0.15 0.00 1.86 0.44 -0.17 0.00 0.00 175.17 177.45 2k9a h ASP 35 N 4.42 0.83 0.08 -0.34 5.19 -1.89 -1.39 116.42 123.32 2k9a h ASP 35 Ca -0.45 0.01 -0.03 0.00 -0.62 0.00 0.00 57.03 55.94 2k9a h ASP 35 Cb 1.21 -0.17 -0.01 0.00 0.18 0.00 0.00 39.33 40.54 2k9a h ASP 35 CO 0.69 0.55 -0.11 -0.08 -3.12 0.00 0.00 179.24 177.17 2k9a h GLU 36 N 0.97 0.07 0.05 3.56 4.81 -1.92 -0.40 114.58 121.72 2k9a h GLU 36 Ca 0.34 -0.01 -0.26 0.00 -0.13 0.00 0.00 59.36 59.30 2k9a h GLU 36 Cb 0.08 -0.01 0.02 0.00 0.63 0.00 0.00 28.75 29.47 2k9a h GLU 36 CO -0.14 0.19 -1.03 0.35 -0.73 0.00 0.00 179.01 177.64 2k9a h PHE 37 N 0.07 0.94 -0.25 0.92 3.57 -1.53 -2.56 116.94 118.11 2k9a h PHE 37 Ca 0.02 -0.55 -0.12 0.00 3.53 0.00 0.00 57.97 60.85 2k9a h PHE 37 Cb 0.24 -0.09 -0.01 0.00 2.79 0.00 0.00 35.95 38.88 2k9a h PHE 37 CO 0.00 1.39 -0.36 1.96 -2.23 0.00 0.00 178.31 179.07 2k9a h GLN 38 N 0.23 0.54 -0.11 1.11 4.20 -0.95 -0.97 115.11 119.15 2k9a h GLN 38 Ca -0.14 -0.25 -0.04 0.00 0.06 0.00 0.00 58.65 58.28 2k9a h GLN 38 Cb 1.71 -0.01 -0.00 0.00 0.30 0.00 0.00 27.48 29.48 2k9a h GLN 38 CO 0.20 0.82 -0.08 1.25 -0.67 0.00 0.00 178.83 180.35 2k9a h LEU 39 N 0.45 0.27 0.18 1.46 5.85 -1.14 -1.97 115.31 120.41 2k9a h LEU 39 Ca 0.05 -0.45 -0.01 0.00 0.84 0.00 0.00 57.88 58.31 2k9a h LEU 39 Cb 0.83 -0.08 0.00 0.00 0.37 0.00 0.00 40.66 41.79 2k9a h LEU 39 CO 0.07 0.66 -0.09 0.25 -0.34 0.00 0.00 178.44 179.00 2k9a h LEU 40 N -0.12 -0.21 0.17 2.25 6.46 -1.44 -1.31 115.31 121.11 2k9a h LEU 40 Ca 0.02 -0.23 0.01 0.00 -0.12 0.00 0.00 57.88 57.57 2k9a h LEU 40 Cb 0.58 0.05 -0.02 0.00 -0.73 0.00 0.00 40.66 40.54 2k9a h LEU 40 CO 0.02 0.13 -0.23 -0.61 -0.62 0.00 0.00 178.44 177.13 2k9a h GLN 41 N -0.56 -0.43 -0.99 1.25 4.15 -1.27 -2.52 115.11 114.73 2k9a h GLN 41 Ca -0.03 0.03 0.03 0.00 0.77 0.00 0.00 58.65 59.45 2k9a h GLN 41 Cb 0.42 0.10 -0.05 0.00 0.21 0.00 0.00 27.48 28.16 2k9a h GLN 41 CO 0.04 -0.29 0.65 -0.09 -1.93 0.00 0.00 178.83 177.21 2k9a h ARG 42 N -0.45 1.25 -0.50 1.69 2.43 -1.42 -0.69 114.38 116.69 2k9a h ARG 42 Ca 0.01 -0.08 0.08 0.00 -0.81 0.00 0.00 59.98 59.19 2k9a h ARG 42 Cb 0.45 -0.28 -0.07 0.00 -0.42 0.00 0.00 29.97 29.65 2k9a h ARG 42 CO -0.09 0.83 0.11 -0.97 -1.51 0.00 0.00 179.97 178.34 2k9a h ASN 43 N 1.29 0.02 0.41 -3.80 -0.73 -0.82 -2.15 115.58 109.80 2k9a h ASN 43 Ca 0.38 0.09 -0.24 0.00 1.87 0.00 0.00 56.30 58.40 2k9a h ASN 43 Cb -0.06 0.11 0.00 0.00 0.27 0.00 0.00 38.32 38.64 2k9a h ASN 43 CO -0.10 0.04 -1.01 -0.26 -0.37 0.00 0.00 177.43 175.73 2k9a h PHE 44 N 0.25 0.57 -0.43 0.67 0.04 -1.11 -3.22 116.94 113.71 2k9a h PHE 44 Ca 0.25 -0.33 0.11 0.00 2.80 0.00 0.00 57.97 60.80 2k9a h PHE 44 Cb 0.33 -0.06 -0.02 0.00 2.20 0.00 0.00 35.95 38.40 2k9a h PHE 44 CO -0.22 1.17 0.30 0.52 -0.60 0.00 0.00 178.31 179.49 2k9a h MET 45 N 0.19 0.07 -0.08 1.51 2.86 -0.58 0.24 114.93 119.14 2k9a h MET 45 Ca -0.09 -0.00 -0.04 0.00 -2.06 0.00 0.00 59.70 57.51 2k9a h MET 45 Cb 1.66 -0.02 -0.01 0.00 0.06 0.00 0.00 31.60 33.30 2k9a h MET 45 CO 0.17 0.05 -0.13 -0.44 1.06 0.00 0.00 176.91 177.62 2k9a h ASP 46 N 0.07 0.11 0.05 1.22 3.32 -1.42 -2.22 116.42 117.55 2k9a h ASP 46 Ca 0.20 -0.02 -0.36 0.00 0.02 0.00 0.00 57.03 56.87 2k9a h ASP 46 Cb 0.71 -0.03 -0.04 0.00 0.22 0.00 0.00 39.33 40.19 2k9a h ASP 46 CO -0.02 0.25 -2.08 0.29 -1.72 0.00 0.00 179.24 175.97 2k9a n LYS 47 N -4.33 0.67 0.05 3.56 4.76 -0.11 -4.22 118.16 118.53 2k9a n LYS 47 Ca -0.02 0.29 -0.11 0.00 -2.87 0.00 0.00 58.31 55.61 2k9a n LYS 47 Cb 0.23 -1.63 -0.05 0.00 -1.84 0.00 0.00 35.03 31.75 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 -0.32 -0.34 0.00 2.13 -1.99 -1.05 -1.25 116.97 114.15 2k9a h TYR 48 Ca -0.50 0.01 0.00 0.00 2.00 0.00 0.00 58.73 60.24 2k9a h TYR 48 Cb 1.80 0.15 0.00 0.00 2.00 0.00 0.00 36.73 40.68 2k9a h TYR 48 CO 0.04 -0.20 0.03 0.10 -0.00 0.00 0.00 178.16 178.14 2k9a h TYR 49 N -0.22 0.00 0.01 4.88 -0.00 -1.62 -2.15 116.97 117.87 2k9a h TYR 49 Ca 0.05 0.00 -0.04 0.00 -0.00 0.00 0.00 58.73 58.74 2k9a h TYR 49 Cb 0.28 0.00 -0.00 0.00 -0.00 0.00 0.00 36.73 37.01 2k9a h TYR 49 CO -0.20 0.00 -0.22 -0.07 -0.00 0.00 0.00 178.16 177.68 2k9a h LEU 50 N 0.00 0.05 -0.85 0.10 3.38 -1.41 -3.35 115.31 113.22 2k9a h LEU 50 Ca 0.00 -0.95 -0.01 0.00 0.09 0.00 0.00 57.88 57.02 2k9a h LEU 50 Cb 0.07 -0.02 -0.04 0.00 0.09 0.00 0.00 40.66 40.76 2k9a h LEU 50 CO 0.00 1.09 0.50 -0.33 0.09 0.00 0.00 178.44 179.79 2k9a h GLU 51 N -0.93 1.17 -5.84 1.13 4.39 -1.03 -3.36 114.58 110.10 2k9a h GLU 51 Ca -0.05 -0.11 -0.39 0.00 0.34 0.00 0.00 59.36 59.15 2k9a h GLU 51 Cb 1.10 -0.24 -0.06 0.00 -0.10 0.00 0.00 28.75 29.44 2k9a h GLU 51 CO -0.01 0.83 0.97 -0.06 -1.16 0.00 0.00 179.01 179.58 2k9a s PHE 52 N -5.94 2.03 -0.00 4.33 0.40 -0.88 -4.95 117.98 112.97 2k9a s PHE 52 Ca -0.13 0.18 -0.01 0.00 -0.60 0.00 0.00 56.93 56.37 2k9a s PHE 52 Cb 0.16 -4.25 -0.04 0.00 0.51 0.00 0.00 43.02 39.41 2k9a s PHE 52 CO 0.81 -1.81 0.11 -1.21 0.70 0.00 0.00 175.22 173.83 2k9a s GLU 53 N 6.38 3.17 -0.70 0.44 2.02 -1.26 -4.84 118.70 123.92 2k9a s GLU 53 Ca 0.63 -0.44 -0.26 0.00 0.02 0.00 0.00 54.97 54.92 2k9a s GLU 53 Cb -0.05 -2.93 -0.11 0.00 0.10 0.00 0.00 34.13 31.15 2k9a s GLU 53 CO -0.04 0.65 2.38 0.34 0.02 0.00 0.00 175.26 178.61 2k9a s ASP 54 N -1.81 4.14 0.03 -0.19 -1.08 -1.26 -4.88 116.67 111.62 2k9a s ASP 54 Ca 0.24 0.35 -0.00 0.00 -0.52 0.00 0.00 52.55 52.62 2k9a s ASP 54 Cb -0.12 -2.53 -0.03 0.00 -1.46 0.00 0.00 42.92 38.78 2k9a s ASP 54 CO 0.16 -3.49 -0.03 0.42 0.52 0.00 0.00 175.17 172.74 2k9a s THR 55 N 13.66 0.19 -0.09 1.71 -4.23 -1.26 -5.05 115.64 120.58 2k9a s THR 55 Ca 0.92 -1.29 0.21 0.00 -1.18 0.00 0.00 61.69 60.36 2k9a s THR 55 Cb -0.14 -0.80 -0.27 0.00 1.34 0.00 0.00 72.50 72.64 2k9a s THR 55 CO 0.13 -0.70 0.51 -0.62 -0.54 0.00 0.00 174.62 173.41 2k9a n GLU 56 N 0.98 0.66 -2.46 3.99 -0.58 -1.26 -4.95 120.64 117.01 2k9a n GLU 56 Ca -0.20 -0.10 -0.39 0.00 -0.42 0.00 0.00 57.16 56.06 2k9a n GLU 56 Cb 0.57 -1.58 -0.04 0.00 -0.57 0.00 0.00 31.44 29.83 2k9a n GLU 56 CO 0.00 0.00 0.00 -1.21 -0.48 0.00 0.00 177.13 175.44 2k9a s GLU 57 N -3.29 4.35 -0.03 3.49 2.02 -1.26 -5.02 118.70 118.96 2k9a s GLU 57 Ca -0.07 1.71 -0.21 0.00 0.02 0.00 0.00 54.97 56.41 2k9a s GLU 57 Cb 0.12 -2.85 -0.05 0.00 0.10 0.00 0.00 34.13 31.45 2k9a s GLU 57 CO 0.87 -0.02 0.62 -0.80 0.02 0.00 0.00 175.26 175.95 2k9a s ASN 58 N -1.18 6.95 0.14 -0.19 -0.87 -1.26 -5.07 114.94 113.47 2k9a s ASN 58 Ca 0.52 1.14 0.10 0.00 -1.57 0.00 0.00 52.86 53.04 2k9a s ASN 58 Cb -0.28 -2.37 -0.04 0.00 -0.02 0.00 0.00 41.25 38.53 2k9a s ASN 58 CO 0.36 0.02 -0.20 -0.54 -2.57 0.00 0.00 177.10 174.16 2k9a s LYS 59 N 0.21 1.67 0.00 -0.60 1.02 -1.26 -5.02 119.74 115.76 2k9a s LYS 59 Ca 0.33 -1.30 0.29 0.00 0.02 0.00 0.00 55.97 55.30 2k9a s LYS 59 Cb -0.18 -2.01 1.25 0.00 -0.52 0.00 0.00 37.83 36.37 2k9a s LYS 59 CO 0.17 0.45 1.93 1.28 -0.92 0.00 0.00 175.35 178.25 2k9a n LEU 60 N 0.62 0.02 0.21 3.17 4.77 -1.26 -3.35 117.00 121.17 2k9a n LEU 60 Ca -0.15 0.46 0.15 0.00 -0.03 0.00 0.00 56.01 56.44 2k9a n LEU 60 Cb 0.54 -0.47 0.57 0.00 -2.33 0.00 0.00 43.42 41.73 2k9a n LEU 60 CO 0.28 0.00 0.92 -0.29 -1.33 0.00 0.00 177.39 176.98 2k9a h ILE 61 N 0.00 0.00 0.00 -0.08 6.09 -2.03 -2.71 117.51 118.79 2k9a h ILE 61 Ca 0.00 -0.42 0.00 0.00 -1.37 0.00 0.00 64.86 63.07 2k9a h ILE 61 Cb 0.48 1.32 0.00 0.00 0.47 0.00 0.00 36.82 39.09 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 0.08 2.19 0.05 -1.99 -2.85 116.97 114.45 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 0.49 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.23 2k9a h TYR 62 CO 0.00 0.00 -0.04 1.15 -1.05 0.00 0.00 178.16 178.22 2k9a h THR 63 N 0.00 1.17 -0.50 -2.88 2.02 -1.73 -2.48 112.91 108.50 2k9a h THR 63 Ca 0.00 -1.39 -0.09 0.00 0.77 0.00 0.00 66.41 65.70 2k9a h THR 63 Cb 0.55 2.00 -0.02 0.00 -1.74 0.00 0.00 68.15 68.94 2k9a h THR 63 CO 0.00 0.32 -0.04 1.55 0.37 0.00 0.00 175.52 177.72 2k9a h PRO 64 N -0.80 0.91 -0.56 6.66 0.13 -1.72 -2.62 132.00 134.01 2k9a h PRO 64 Ca -0.01 -0.31 -0.02 0.00 -0.87 0.00 0.00 66.00 64.79 2k9a h PRO 64 Cb 0.60 -0.07 -0.03 0.00 0.13 0.00 0.00 31.00 31.63 2k9a h PRO 64 CO 0.02 0.96 0.27 0.82 -0.23 0.00 0.00 178.00 179.83 2k9a h ILE 65 N 0.78 1.20 -0.32 -3.56 2.04 -1.63 -1.26 117.51 114.77 2k9a h ILE 65 Ca 0.14 -0.58 -0.00 0.00 1.00 0.00 0.00 64.86 65.41 2k9a h ILE 65 Cb 0.57 0.56 -0.02 0.00 -0.74 0.00 0.00 36.82 37.19 2k9a h ILE 65 CO 0.03 0.23 0.19 0.15 0.00 0.00 0.00 178.15 178.75 2k9a h PHE 66 N 0.75 0.43 -0.12 1.37 3.57 -1.39 -1.97 116.94 119.58 2k9a h PHE 66 Ca 0.19 -0.00 -0.05 0.00 3.53 0.00 0.00 57.97 61.64 2k9a h PHE 66 Cb 0.12 -0.14 -0.01 0.00 2.79 0.00 0.00 35.95 38.71 2k9a h PHE 66 CO -0.00 0.32 -0.15 -0.91 -2.23 0.00 0.00 178.31 175.34 2k9a h ASN 67 N 0.41 0.18 -0.18 0.41 -0.26 -1.30 -2.46 115.58 112.38 2k9a h ASN 67 Ca 0.11 -0.04 -0.12 0.00 -0.56 0.00 0.00 56.30 55.70 2k9a h ASN 67 Cb 0.02 -0.05 -0.01 0.00 -1.06 0.00 0.00 38.32 37.22 2k9a h ASN 67 CO -0.02 0.35 -0.29 -0.08 -1.06 0.00 0.00 177.43 176.33 2k9a h GLU 68 N 0.18 0.67 -0.32 0.81 4.81 -0.69 -1.08 114.58 118.96 2k9a h GLU 68 Ca 0.04 -0.29 -0.13 0.00 -0.13 0.00 0.00 59.36 58.85 2k9a h GLU 68 Cb 0.37 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.73 2k9a h GLU 68 CO 0.02 0.88 -0.29 -0.92 -0.73 0.00 0.00 179.01 177.97 2k9a h TYR 69 N 0.57 0.91 0.00 0.92 3.20 -0.93 0.33 116.97 121.97 2k9a h TYR 69 Ca 0.07 -0.27 -0.12 0.00 3.14 0.00 0.00 58.73 61.55 2k9a h TYR 69 Cb 0.78 -0.19 -0.02 0.00 1.54 0.00 0.00 36.73 38.84 2k9a h TYR 69 CO 0.04 1.03 -0.59 0.82 -1.64 0.00 0.00 178.16 177.82 2k9a h ILE 70 N 0.53 1.36 0.02 1.81 1.08 -1.41 0.12 117.51 121.01 2k9a h ILE 70 Ca 0.05 -2.05 -0.25 0.00 -0.39 0.00 0.00 64.86 62.22 2k9a h ILE 70 Cb 0.87 2.13 -0.03 0.00 -3.07 0.00 0.00 36.82 36.71 2k9a h ILE 70 CO 0.07 0.57 -1.27 -1.28 -0.69 0.00 0.00 178.15 175.56 2k9a h SER 71 N 0.00 0.08 0.00 1.72 0.87 -1.13 -2.37 113.55 112.73 2k9a h SER 71 Ca -0.01 -0.11 0.00 0.00 -1.23 0.00 0.00 61.79 60.45 2k9a h SER 71 Cb 1.08 -0.03 0.00 0.00 -0.44 0.00 0.00 62.40 63.01 2k9a h SER 71 CO 0.08 1.09 -0.36 -0.11 -0.53 0.00 0.00 176.83 177.00 2k9a n LEU 72 N -3.30 1.23 0.12 2.23 -0.00 0.10 -4.18 117.00 113.20 2k9a n LEU 72 Ca -0.07 0.51 -0.06 0.00 -0.00 0.00 0.00 56.01 56.39 2k9a n LEU 72 Cb 0.99 -0.75 -0.03 0.00 -0.00 0.00 0.00 43.42 43.63 2k9a n LEU 72 CO 0.47 -0.48 0.17 0.58 -0.00 0.00 0.00 177.39 178.14 2k9a h VAL 73 N -0.68 0.00 -0.89 1.96 2.07 -0.97 -2.23 116.25 115.52 2k9a h VAL 73 Ca 0.00 -0.56 0.15 0.00 0.82 0.00 0.00 66.70 67.11 2k9a h VAL 73 Cb 0.36 0.00 -0.09 0.00 -1.52 0.00 0.00 31.29 30.03 2k9a h VAL 73 CO 0.00 0.00 0.48 -0.08 0.02 0.00 0.00 177.57 177.99 2k9a h GLU 74 N -0.93 0.66 -0.30 1.57 4.22 -1.51 0.60 114.58 118.89 2k9a h GLU 74 Ca -0.04 -0.04 -0.11 0.00 0.08 0.00 0.00 59.36 59.26 2k9a h GLU 74 Cb 0.29 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.37 2k9a h GLU 74 CO 0.06 0.44 -0.26 -0.22 -2.18 0.00 0.00 179.01 176.86 2k9a h LYS 75 N 0.68 0.60 0.14 1.92 1.63 -1.54 -2.69 116.57 117.31 2k9a h LYS 75 Ca 0.48 -0.24 0.01 0.00 -0.85 0.00 0.00 60.65 60.05 2k9a h LYS 75 Cb 0.67 -0.03 -0.02 0.00 -0.60 0.00 0.00 32.23 32.25 2k9a h LYS 75 CO -0.35 0.80 -0.15 -0.92 -3.45 0.00 0.00 179.45 175.38 2k9a h TYR 76 N 0.52 -0.39 -0.82 1.91 3.20 -0.25 -1.20 116.97 119.94 2k9a h TYR 76 Ca 0.07 0.00 0.02 0.00 3.14 0.00 0.00 58.73 61.96 2k9a h TYR 76 Cb 0.72 0.15 -0.04 0.00 1.54 0.00 0.00 36.73 39.10 2k9a h TYR 76 CO 0.03 -0.23 0.54 0.82 -1.64 0.00 0.00 178.16 177.68 2k9a h ILE 77 N -0.32 1.18 0.00 1.81 2.04 -1.38 -2.13 117.51 118.71 2k9a h ILE 77 Ca 0.01 -0.37 0.01 0.00 1.00 0.00 0.00 64.86 65.51 2k9a h ILE 77 Cb 0.31 0.00 -0.01 0.00 -0.74 0.00 0.00 36.82 36.38 2k9a h ILE 77 CO -0.05 0.20 -0.05 -0.08 0.00 0.00 0.00 178.15 178.17 2k9a h GLU 78 N 1.08 -0.09 -0.65 2.37 4.81 -1.14 -2.36 114.58 118.60 2k9a h GLU 78 Ca 0.31 0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.55 2k9a h GLU 78 Cb -0.07 0.02 -0.03 0.00 0.63 0.00 0.00 28.75 29.30 2k9a h GLU 78 CO -0.09 -0.06 0.41 0.93 -0.73 0.00 0.00 179.01 179.48 2k9a h GLU 79 N -0.09 0.86 -0.68 1.92 4.39 -1.00 -1.24 114.58 118.74 2k9a h GLU 79 Ca 0.02 -0.06 0.02 0.00 0.34 0.00 0.00 59.36 59.68 2k9a h GLU 79 Cb 0.12 -0.19 -0.04 0.00 -0.10 0.00 0.00 28.75 28.54 2k9a h GLU 79 CO -0.05 0.59 0.45 1.96 -1.16 0.00 0.00 179.01 180.79 2k9a h GLN 80 N 0.87 0.82 0.10 2.33 1.08 -1.18 -1.85 115.11 117.29 2k9a h GLN 80 Ca 0.23 -0.05 -0.27 0.00 -1.45 0.00 0.00 58.65 57.12 2k9a h GLN 80 Cb -0.07 -0.19 0.01 0.00 -0.05 0.00 0.00 27.48 27.18 2k9a h GLN 80 CO -0.05 0.55 -1.17 -0.07 -0.95 0.00 0.00 178.83 177.13 2k9a h LEU 81 N 0.85 0.57 -1.68 1.46 3.38 -1.00 -3.24 115.31 115.65 2k9a h LEU 81 Ca 0.26 -0.54 -0.03 0.00 0.09 0.00 0.00 57.88 57.66 2k9a h LEU 81 Cb 0.01 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 40.57 2k9a h LEU 81 CO -0.07 1.39 -0.12 -0.07 0.09 0.00 0.00 178.44 179.66 2k9a h LEU 82 N 0.16 0.00 -2.09 1.67 -0.00 -0.77 -2.11 115.31 112.16 2k9a h LEU 82 Ca -0.14 0.00 0.05 0.00 -0.00 0.00 0.00 57.88 57.80 2k9a h LEU 82 Cb 1.86 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 42.51 2k9a h LEU 82 CO 0.20 0.12 0.33 1.56 -0.00 0.00 0.00 178.44 180.65 2k9a h GLN 83 N 0.00 0.00 0.00 1.13 4.20 -1.37 -2.21 115.11 116.85 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 0.47 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.25 2k9a h GLN 83 CO 0.02 0.00 -0.53 0.54 -0.67 0.00 0.00 178.83 178.19 2k9a n ARG 84 N -3.38 2.92 -3.63 1.46 1.74 -1.04 -4.92 116.66 109.81 2k9a n ARG 84 Ca 0.02 0.00 -0.29 0.00 -0.77 0.00 0.00 57.85 56.81 2k9a n ARG 84 Cb 0.44 -0.74 -0.13 0.00 -1.02 0.00 0.00 32.46 31.01 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 -1.41 0.94 0.25 0.55 1.09 -0.82 -4.97 121.20 116.83 2k9a s ILE 85 Ca 0.00 -2.20 0.20 0.00 -1.10 0.00 0.00 60.65 57.55 2k9a s ILE 85 Cb 0.00 -1.67 0.17 0.00 -1.06 0.00 0.00 42.46 39.90 2k9a s ILE 85 CO 0.00 -0.91 1.83 1.55 -0.10 0.00 0.00 174.94 177.30 2k9a h PRO 86 N 6.90 0.00 -0.66 2.79 0.13 -1.85 -2.56 132.00 136.75 2k9a h PRO 86 Ca 0.01 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.14 2k9a h PRO 86 Cb 0.95 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.08 2k9a h PRO 86 CO 0.41 0.31 0.00 0.39 -0.23 0.00 0.00 178.00 178.87 2k9a n GLU 87 N -3.63 3.00 -1.69 0.86 4.71 -1.26 -4.96 120.64 117.66 2k9a n GLU 87 Ca -0.01 -1.83 -0.38 0.00 -0.01 0.00 0.00 57.16 54.93 2k9a n GLU 87 Cb 0.43 -1.79 0.05 0.00 -1.01 0.00 0.00 31.44 29.11 2k9a n GLU 87 CO 0.00 0.00 0.00 0.34 0.09 0.00 0.00 177.13 177.56 2k9a n PHE 88 N 0.50 1.63 -3.74 -0.32 7.35 -0.96 -4.99 117.46 116.92 2k9a n PHE 88 Ca 0.16 0.44 -0.29 0.00 -0.76 0.00 0.00 57.45 57.00 2k9a n PHE 88 Cb 0.70 -2.26 -0.13 0.00 0.35 0.00 0.00 39.48 38.15 2k9a n PHE 88 CO 0.00 0.00 0.00 0.54 -0.76 0.00 0.00 176.76 176.54 2k9a s ASN 89 N -1.11 3.71 0.52 -2.13 4.22 -1.26 -4.96 114.94 113.93 2k9a s ASN 89 Ca 0.75 -2.87 0.21 0.00 -2.14 0.00 0.00 52.86 48.81 2k9a s ASN 89 Cb -0.42 -1.15 1.37 0.00 1.28 0.00 0.00 41.25 42.34 2k9a s ASN 89 CO 0.47 -0.23 2.12 -0.03 -2.04 0.00 0.00 177.10 177.39 2k9a h MET 90 N 6.44 0.00 0.51 3.55 4.05 -1.98 0.06 114.93 127.56 2k9a h MET 90 Ca 0.02 0.00 -0.03 0.00 -0.28 0.00 0.00 59.70 59.42 2k9a h MET 90 Cb 0.90 0.00 0.01 0.00 -0.80 0.00 0.00 31.60 31.70 2k9a h MET 90 CO 0.53 0.08 -0.25 0.00 0.23 0.00 0.00 176.91 177.51 2k9a h ALA 91 N 1.92 -0.69 0.00 0.39 0.00 -2.00 -2.44 119.26 116.44 2k9a h ALA 91 Ca -0.00 -0.18 -0.05 0.00 0.00 0.00 0.00 54.91 54.68 2k9a h ALA 91 Cb 0.16 0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 2k9a h ALA 91 CO 0.01 -0.69 -0.22 0.00 0.00 0.00 0.00 179.25 178.35 2k9a h ALA 92 N -0.92 1.16 0.17 0.00 0.00 -1.97 -2.67 119.26 115.04 2k9a h ALA 92 Ca -0.07 -0.20 -0.01 0.00 0.00 0.00 0.00 54.91 54.63 2k9a h ALA 92 Cb 0.59 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.35 2k9a h ALA 92 CO 0.12 0.28 -0.08 0.35 0.00 0.00 0.00 179.25 179.91 2k9a h PHE 93 N 0.00 -0.21 -0.56 0.00 3.57 -0.98 -1.34 116.94 117.42 2k9a h PHE 93 Ca -0.00 -0.00 -0.06 0.00 3.53 0.00 0.00 57.97 61.43 2k9a h PHE 93 Cb 0.59 0.07 -0.02 0.00 2.79 0.00 0.00 35.95 39.37 2k9a h PHE 93 CO 0.00 0.08 0.10 1.79 -2.23 0.00 0.00 178.31 178.05 2k9a h THR 94 N -0.49 1.24 -0.33 4.41 1.35 -1.36 0.93 112.91 118.66 2k9a h THR 94 Ca -0.02 -0.91 -0.02 0.00 -0.55 0.00 0.00 66.41 64.91 2k9a h THR 94 Cb 0.38 0.70 -0.01 0.00 -1.73 0.00 0.00 68.15 67.49 2k9a h THR 94 CO 0.04 0.34 0.14 0.74 -0.25 0.00 0.00 175.52 176.52 2k9a h THR 95 N 0.84 1.18 0.00 6.82 2.02 -1.43 -2.25 112.91 120.10 2k9a h THR 95 Ca 0.18 -0.54 -0.13 0.00 0.77 0.00 0.00 66.41 66.69 2k9a h THR 95 Cb 0.36 0.92 -0.02 0.00 -1.74 0.00 0.00 68.15 67.67 2k9a h THR 95 CO 0.01 0.19 -0.63 0.74 0.37 0.00 0.00 175.52 176.20 2k9a h THR 96 N 0.39 1.40 -0.46 3.16 2.02 -1.06 -3.20 112.91 115.16 2k9a h THR 96 Ca 0.11 -2.19 -0.02 0.00 0.77 0.00 0.00 66.41 65.08 2k9a h THR 96 Cb 0.17 2.20 -0.02 0.00 -1.74 0.00 0.00 68.15 68.75 2k9a h THR 96 CO -0.01 0.61 0.20 0.25 0.37 0.00 0.00 175.52 176.94 2k9a h LEU 97 N 0.00 0.63 -1.29 2.58 6.46 -0.53 -0.42 115.31 122.74 2k9a h LEU 97 Ca -0.01 -0.16 0.20 0.00 -0.12 0.00 0.00 57.88 57.80 2k9a h LEU 97 Cb 1.15 -0.16 -0.08 0.00 -0.73 0.00 0.00 40.66 40.83 2k9a h LEU 97 CO 0.08 0.62 0.61 1.56 -0.62 0.00 0.00 178.44 180.69 2k9a h GLN 98 N 0.61 0.54 0.24 1.25 4.20 -1.40 0.39 115.11 120.94 2k9a h GLN 98 Ca 0.16 -0.03 -0.32 0.00 0.06 0.00 0.00 58.65 58.51 2k9a h GLN 98 Cb 0.17 -0.12 0.04 0.00 0.30 0.00 0.00 27.48 27.87 2k9a h GLN 98 CO -0.01 0.36 -1.43 1.25 -0.67 0.00 0.00 178.83 178.32 2k9a h HIS 99 N 0.56 0.93 0.00 2.96 2.76 -1.57 -3.22 115.15 117.56 2k9a h HIS 99 Ca 0.53 -0.68 0.00 0.00 -2.20 0.00 0.00 60.37 58.02 2k9a h HIS 99 Cb 1.09 -0.04 0.00 0.00 1.55 0.00 0.00 27.41 30.02 2k9a h HIS 99 CO -0.00 1.55 0.00 0.72 -1.30 0.00 0.00 177.93 178.90 2k9a n HIS 100 N -3.76 0.00 0.19 5.26 8.25 -0.20 -2.63 115.22 122.32 2k9a n HIS 100 Ca -0.17 0.00 0.12 0.00 -0.26 0.00 0.00 57.72 57.40 2k9a n HIS 100 Cb 1.08 -0.35 0.62 0.00 1.12 0.00 0.00 29.99 32.46 2k9a n HIS 100 CO 0.00 0.00 0.00 0.87 0.64 0.00 0.00 176.34 177.85 2k9a h LYS 101 N 0.00 0.00 0.00 -0.41 1.57 -1.01 -0.67 116.57 116.04 2k9a h LYS 101 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2k9a h LYS 101 Cb 0.12 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.43 2k9a h LYS 101 CO 0.00 0.00 0.00 -0.40 -0.57 0.00 0.00 179.45 178.48 2k9a n ASP 102 N -2.33 0.32 0.00 0.86 5.68 -1.08 -3.47 116.55 116.53 2k9a n ASP 102 Ca -0.02 0.64 0.00 0.00 -0.50 0.00 0.00 54.79 54.92 2k9a n ASP 102 Cb 0.11 -0.69 0.00 0.00 -1.14 0.00 0.00 41.12 39.40 2k9a n ASP 102 CO 0.00 0.00 0.00 1.21 -1.33 0.00 0.00 177.20 177.08 2k9a n GLU 103 N -1.92 0.15 -1.90 0.11 2.13 -0.38 -5.10 120.64 113.73 2k9a n GLU 103 Ca -0.01 0.00 -0.39 0.00 0.66 0.00 0.00 57.16 57.43 2k9a n GLU 103 Cb 0.03 -0.54 0.02 0.00 0.27 0.00 0.00 31.44 31.22 2k9a n GLU 103 CO 0.00 0.00 0.00 0.08 -0.41 0.00 0.00 177.13 176.80 2k9a s VAL 104 N -1.08 2.32 -0.31 6.31 1.01 -0.49 -4.87 120.40 123.29 2k9a s VAL 104 Ca 0.00 0.26 -0.28 0.00 0.00 0.00 0.00 61.98 61.96 2k9a s VAL 104 Cb 0.00 -3.14 -0.05 0.00 0.00 0.00 0.00 36.38 33.19 2k9a s VAL 104 CO 0.00 0.01 2.18 0.00 0.00 0.00 0.00 175.10 177.29 2k9a s ALA 105 N -1.31 2.49 0.38 5.51 0.00 -1.26 -4.75 121.76 122.83 2k9a s ALA 105 Ca 0.65 0.48 0.12 0.00 0.00 0.00 0.00 51.96 53.21 2k9a s ALA 105 Cb -0.39 -4.13 0.76 0.00 0.00 0.00 0.00 23.12 19.36 2k9a s ALA 105 CO 0.48 -3.17 1.86 0.78 0.00 0.00 0.00 175.76 175.72 2k9a h GLY 106 N 15.87 0.06 1.08 0.00 0.00 -1.89 -2.77 103.07 115.43 2k9a h GLY 106 Ca -0.36 -0.05 -0.02 0.00 0.00 0.00 0.00 47.33 46.90 2k9a h GLY 106 CO 1.02 0.04 0.45 -1.80 0.00 0.00 0.00 176.54 176.26 2k9a h ASP 107 N 0.05 1.08 0.01 0.19 1.82 -1.99 0.11 116.42 117.69 2k9a h ASP 107 Ca 0.01 -0.10 -0.00 0.00 -0.39 0.00 0.00 57.03 56.54 2k9a h ASP 107 Cb 0.56 -0.28 0.00 0.00 0.68 0.00 0.00 39.33 40.29 2k9a h ASP 107 CO 0.04 0.88 -0.01 0.40 -1.61 0.00 0.00 179.24 178.94 2k9a h ILE 108 N 1.20 1.52 0.00 2.25 2.04 -1.92 -3.22 117.51 119.39 2k9a h ILE 108 Ca 0.30 -1.66 -0.01 0.00 1.00 0.00 0.00 64.86 64.49 2k9a h ILE 108 Cb 0.05 2.63 -0.00 0.00 -0.74 0.00 0.00 36.82 38.76 2k9a h ILE 108 CO -0.05 0.42 -0.06 0.15 0.00 0.00 0.00 178.15 178.62 2k9a h PHE 109 N -0.73 0.00 -1.03 1.37 3.57 -1.45 -2.62 116.94 116.04 2k9a h PHE 109 Ca -0.00 0.00 0.26 0.00 3.53 0.00 0.00 57.97 61.76 2k9a h PHE 109 Cb 0.70 0.00 -0.11 0.00 2.79 0.00 0.00 35.95 39.33 2k9a h PHE 109 CO 0.17 0.06 0.64 0.22 -2.23 0.00 0.00 178.31 177.17 2k9a h ASP 110 N 0.00 0.56 -0.08 0.41 3.58 -0.78 0.42 116.42 120.53 2k9a h ASP 110 Ca -0.00 0.12 -0.20 0.00 0.42 0.00 0.00 57.03 57.37 2k9a h ASP 110 Cb 0.12 0.03 0.00 0.00 1.72 0.00 0.00 39.33 41.20 2k9a h ASP 110 CO 0.01 0.08 -0.68 0.00 -2.88 0.00 0.00 179.24 175.77 2k9a h MET 111 N 0.47 0.71 0.00 0.28 -0.00 -1.62 -2.97 114.93 111.81 2k9a h MET 111 Ca 0.63 -0.52 -0.02 0.00 -0.00 0.00 0.00 59.70 59.79 2k9a h MET 111 Cb 1.41 0.09 -0.00 0.00 -0.00 0.00 0.00 31.60 33.10 2k9a h MET 111 CO -0.40 1.14 -0.09 -0.07 -0.00 0.00 0.00 176.91 177.49 2k9a h LEU 112 N 0.51 0.00 -1.87 -0.10 3.38 -0.38 -2.80 115.31 114.05 2k9a h LEU 112 Ca -0.02 0.00 0.21 0.00 0.09 0.00 0.00 57.88 58.15 2k9a h LEU 112 Cb 1.28 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 42.00 2k9a h LEU 112 CO 0.14 0.09 0.65 -0.07 0.09 0.00 0.00 178.44 179.34 2k9a h LEU 113 N 0.00 0.00 0.00 1.67 3.38 -0.71 0.12 115.31 119.77 2k9a h LEU 113 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2k9a h LEU 113 Cb 0.37 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.12 2k9a h LEU 113 CO 0.01 0.00 0.08 0.35 0.09 0.00 0.00 178.44 178.97 2k9a n THR 114 N -3.85 0.89 -0.00 0.22 -2.24 -1.06 -0.60 114.28 107.64 2k9a n THR 114 Ca 0.15 0.30 -0.01 0.00 -2.27 0.00 0.00 64.05 62.21 2k9a n THR 114 Cb 0.91 -1.30 0.27 0.00 -2.10 0.00 0.00 70.33 68.11 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 0.56 0.00 4.78 0.04 -1.24 -3.40 116.94 117.67 2k9a h PHE 115 Ca 0.00 -0.07 0.00 0.00 2.80 0.00 0.00 57.97 60.70 2k9a h PHE 115 Cb 0.15 -0.16 0.00 0.00 2.20 0.00 0.00 35.95 38.15 2k9a h PHE 115 CO 0.00 0.58 -0.01 0.25 -0.60 0.00 0.00 178.31 178.53 2k9a n THR 116 N -4.24 0.00 -1.97 -1.55 -2.24 -0.61 -4.99 114.28 98.67 2k9a n THR 116 Ca 0.01 0.00 -0.25 0.00 -2.27 0.00 0.00 64.05 61.54 2k9a n THR 116 Cb 0.28 -0.01 -0.06 0.00 -2.10 0.00 0.00 70.33 68.44 2k9a n THR 116 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 2k9a s ASP 117 N -1.58 4.79 0.45 3.42 1.11 0.23 -4.74 116.67 120.35 2k9a s ASP 117 Ca 0.00 -1.16 0.11 0.00 0.18 0.00 0.00 52.55 51.68 2k9a s ASP 117 Cb 0.00 -2.58 1.01 0.00 1.07 0.00 0.00 42.92 42.42 2k9a s ASP 117 CO 0.00 -3.24 2.08 0.15 1.18 0.00 0.00 175.17 175.34 2k9a h PHE 118 N 10.64 0.30 -0.40 4.23 3.57 -1.87 -1.46 116.94 131.95 2k9a h PHE 118 Ca 0.14 0.00 -0.08 0.00 3.53 0.00 0.00 57.97 61.57 2k9a h PHE 118 Cb 0.97 -0.10 -0.02 0.00 2.79 0.00 0.00 35.95 39.59 2k9a h PHE 118 CO 1.19 0.20 -0.06 -0.07 -2.23 0.00 0.00 178.31 177.34 2k9a h LEU 119 N 0.32 0.66 -0.48 0.59 -0.00 -1.97 -2.38 115.31 112.04 2k9a h LEU 119 Ca 0.08 -0.17 -0.11 0.00 -0.00 0.00 0.00 57.88 57.69 2k9a h LEU 119 Cb -0.01 -0.18 -0.02 0.00 -0.00 0.00 0.00 40.66 40.46 2k9a h LEU 119 CO -0.02 0.77 -0.51 0.00 -0.00 0.00 0.00 178.44 178.68 2k9a h ALA 120 N 1.30 0.80 0.39 1.53 0.00 -1.67 -2.67 119.26 118.94 2k9a h ALA 120 Ca 0.12 -0.47 -0.02 0.00 0.00 0.00 0.00 54.91 54.55 2k9a h ALA 120 Cb 0.49 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.20 2k9a h ALA 120 CO 0.03 0.64 -0.19 0.35 0.00 0.00 0.00 179.25 180.08 2k9a h PHE 121 N 0.00 -0.49 -0.08 0.00 3.57 -0.87 -0.19 116.94 118.88 2k9a h PHE 121 Ca -0.01 -0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.48 2k9a h PHE 121 Cb 1.19 0.16 -0.00 0.00 2.79 0.00 0.00 35.95 40.09 2k9a h PHE 121 CO 0.00 -0.21 0.03 -0.22 -2.23 0.00 0.00 178.31 175.68 2k9a h LYS 122 N -0.71 0.12 -0.46 1.11 3.64 -1.55 -2.63 116.57 116.09 2k9a h LYS 122 Ca -0.05 -0.02 0.07 0.00 -1.27 0.00 0.00 60.65 59.37 2k9a h LYS 122 Cb 0.50 -0.02 -0.03 0.00 -0.41 0.00 0.00 32.23 32.27 2k9a h LYS 122 CO 0.09 0.26 0.31 0.93 -2.27 0.00 0.00 179.45 178.78 2k9a h GLU 123 N -0.04 0.32 -0.17 1.90 5.08 -1.50 -1.40 114.58 118.77 2k9a h GLU 123 Ca 0.03 -0.02 -0.01 0.00 -1.00 0.00 0.00 59.36 58.36 2k9a h GLU 123 Cb 0.19 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.36 2k9a h GLU 123 CO -0.00 0.21 0.07 1.98 -1.00 0.00 0.00 179.01 180.27 2k9a h MET 124 N 0.33 0.25 -0.26 2.33 4.05 -0.66 -1.29 114.93 119.68 2k9a h MET 124 Ca 0.21 -0.04 -0.03 0.00 -0.28 0.00 0.00 59.70 59.56 2k9a h MET 124 Cb 0.40 -0.04 -0.01 0.00 -0.80 0.00 0.00 31.60 31.15 2k9a h MET 124 CO -0.05 0.32 0.06 0.74 0.23 0.00 0.00 176.91 178.21 2k9a h PHE 125 N 0.12 0.44 -0.11 1.39 0.04 -1.11 -2.59 116.94 115.13 2k9a h PHE 125 Ca 0.06 -0.05 0.02 0.00 2.80 0.00 0.00 57.97 60.79 2k9a h PHE 125 Cb 0.16 -0.12 -0.00 0.00 2.20 0.00 0.00 35.95 38.18 2k9a h PHE 125 CO -0.02 0.51 0.08 -0.07 -0.60 0.00 0.00 178.31 178.21 2k9a h LEU 126 N 0.25 0.05 -0.35 1.54 4.07 -1.22 -1.63 115.31 118.02 2k9a h LEU 126 Ca 0.08 -0.00 -0.10 0.00 0.08 0.00 0.00 57.88 57.94 2k9a h LEU 126 Cb 0.29 -0.01 -0.01 0.00 1.08 0.00 0.00 40.66 42.01 2k9a h LEU 126 CO 0.00 0.03 -0.17 -0.78 -1.08 0.00 0.00 178.44 176.44 2k9a h ASP 127 N 0.06 0.75 -0.31 -0.43 1.82 -0.87 -0.45 116.42 116.98 2k9a h ASP 127 Ca 0.05 -0.41 0.04 0.00 -0.39 0.00 0.00 57.03 56.32 2k9a h ASP 127 Cb 0.12 -0.21 -0.04 0.00 0.68 0.00 0.00 39.33 39.89 2k9a h ASP 127 CO -0.00 0.99 0.10 0.22 -1.61 0.00 0.00 179.24 178.94 2k9a h TYR 128 N 0.51 0.18 0.00 0.28 3.20 -0.94 -1.78 116.97 118.42 2k9a h TYR 128 Ca 0.08 0.02 -0.10 0.00 3.14 0.00 0.00 58.73 61.87 2k9a h TYR 128 Cb 0.71 -0.03 -0.01 0.00 1.54 0.00 0.00 36.73 38.93 2k9a h TYR 128 CO 0.06 0.07 -0.46 -0.09 -1.64 0.00 0.00 178.16 176.10 2k9a h ARG 129 N 0.23 0.00 -0.94 1.82 2.43 -1.44 -3.09 114.38 113.38 2k9a h ARG 129 Ca 0.14 0.00 0.02 0.00 -0.81 0.00 0.00 59.98 59.33 2k9a h ARG 129 Cb 0.12 0.00 -0.05 0.00 -0.42 0.00 0.00 29.97 29.62 2k9a h ARG 129 CO -0.16 0.46 0.62 0.00 -1.51 0.00 0.00 179.97 179.39 2k9a h ALA 130 N 1.54 1.21 0.00 2.80 0.00 -0.20 -1.07 119.26 123.54 2k9a h ALA 130 Ca -0.00 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.83 2k9a h ALA 130 Cb 0.91 -0.36 -0.00 0.00 0.00 0.00 0.00 17.79 18.33 2k9a h ALA 130 CO 0.06 0.55 -0.09 0.93 0.00 0.00 0.00 179.25 180.71 2k9a h GLU 131 N 1.24 0.00 0.00 0.00 5.08 -1.38 -2.06 114.58 117.47 2k9a h GLU 131 Ca 0.36 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.72 2k9a h GLU 131 Cb -0.10 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.15 2k9a h GLU 131 CO -0.09 0.09 0.00 1.63 -1.00 0.00 0.00 179.01 179.64 2k9a n LYS 132 N -3.33 0.22 0.09 2.33 4.76 -0.41 -2.38 118.16 119.45 2k9a n LYS 132 Ca -0.01 0.40 0.11 0.00 -2.87 0.00 0.00 58.31 55.95 2k9a n LYS 132 Cb 0.28 -1.89 0.45 0.00 -1.84 0.00 0.00 35.03 32.03 2k9a n LYS 132 CO 0.00 0.00 0.00 0.39 -1.37 0.00 0.00 177.40 176.42 2k9a n GLU 133 N -2.29 0.16 0.00 1.97 1.02 -0.77 -2.69 120.64 118.04 2k9a n GLU 133 Ca 0.03 0.31 0.06 0.00 -0.02 0.00 0.00 57.16 57.54 2k9a n GLU 133 Cb 0.26 -1.77 -0.04 0.00 -0.02 0.00 0.00 31.44 29.88 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 0.41 -0.14 3.15 0.62 0.00 -1.00 -4.91 105.19 103.32 2k9a n GLY 134 Ca 0.03 -0.37 0.04 0.00 0.00 0.00 0.00 46.02 45.73 2k9a n GLY 134 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2k9a s ARG 135 N -1.94 0.49 0.00 1.61 3.52 -1.10 -5.18 118.95 116.35 2k9a s ARG 135 Ca 0.08 0.72 0.00 0.00 -0.13 0.00 0.00 55.73 56.40 2k9a s ARG 135 Cb 0.10 0.38 0.00 0.00 -1.56 0.00 0.00 34.95 33.88 2k9a s ARG 135 CO 0.43 -0.67 0.00 0.41 -0.81 0.00 0.00 175.30 174.66