#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k9a s ASP 2 N 0.00 6.42 0.00 6.12 2.15 -1.26 -4.95 116.67 125.15 2k9a s ASP 2 Ca 0.00 0.46 0.00 0.00 0.43 0.00 0.00 52.55 53.44 2k9a s ASP 2 Cb 0.00 -2.06 0.00 0.00 -0.30 0.00 0.00 42.92 40.56 2k9a s ASP 2 CO 0.00 0.34 0.00 0.00 -0.17 0.00 0.00 175.17 175.34 2k9a n ALA 3 N 1.52 0.00 -2.71 3.66 0.00 -1.26 -5.08 120.51 116.64 2k9a n ALA 3 Ca -0.16 0.00 -0.36 0.00 0.00 0.00 0.00 53.44 52.92 2k9a n ALA 3 Cb 0.54 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.91 2k9a n ALA 3 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2k9a s LEU 4 N 0.00 4.21 -0.21 0.00 1.02 -1.26 -4.97 118.68 117.47 2k9a s LEU 4 Ca 0.00 0.41 0.08 0.00 0.02 0.00 0.00 54.13 54.64 2k9a s LEU 4 Cb 0.00 -2.31 -0.19 0.00 0.02 0.00 0.00 46.19 43.71 2k9a s LEU 4 CO 0.00 0.09 -0.10 1.21 0.02 0.00 0.00 176.35 177.57 2k9a n GLU 5 N 3.77 0.75 -2.93 1.70 2.13 -1.26 -4.77 120.64 120.02 2k9a n GLU 5 Ca -0.12 0.08 -0.19 0.00 0.66 0.00 0.00 57.16 57.58 2k9a n GLU 5 Cb 0.52 -1.48 0.04 0.00 0.27 0.00 0.00 31.44 30.79 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 -5.87 1.83 0.00 8.31 0.00 -1.26 -4.63 107.32 105.70 2k9a s GLY 6 Ca -0.22 -1.82 0.00 0.00 0.00 0.00 0.00 44.72 42.68 2k9a s GLY 6 CO 0.64 -1.48 0.00 1.18 0.00 0.00 0.00 173.10 173.44 2k9a n GLU 7 N -2.15 0.00 -0.78 2.90 1.02 -1.26 -4.75 120.64 115.62 2k9a n GLU 7 Ca 0.12 0.00 -0.29 0.00 -0.02 0.00 0.00 57.16 56.96 2k9a n GLU 7 Cb 0.60 0.00 0.21 0.00 -0.02 0.00 0.00 31.44 32.23 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 -4.00 2.01 0.37 1.62 0.15 -1.26 -4.95 113.70 107.63 2k9a s SER 8 Ca 0.00 1.60 -0.27 0.00 0.70 0.00 0.00 55.95 57.98 2k9a s SER 8 Cb 0.00 -2.27 -0.09 0.00 -1.71 0.00 0.00 66.02 61.94 2k9a s SER 8 CO 0.00 -3.58 1.28 -0.36 1.20 0.00 0.00 173.24 171.78 2k9a s PHE 9 N -2.65 2.97 0.34 3.44 0.08 -1.26 -4.86 117.98 116.04 2k9a s PHE 9 Ca 0.67 1.45 0.04 0.00 0.12 0.00 0.00 56.93 59.20 2k9a s PHE 9 Cb -0.22 -3.62 -0.04 0.00 -0.57 0.00 0.00 43.02 38.57 2k9a s PHE 9 CO 0.61 -1.82 0.14 0.00 -0.10 0.00 0.00 175.22 174.04 2k9a s ALA 10 N -1.23 2.31 -1.87 5.36 0.00 -1.26 -4.95 121.76 120.12 2k9a s ALA 10 Ca 0.53 -1.64 0.06 0.00 0.00 0.00 0.00 51.96 50.91 2k9a s ALA 10 Cb -0.37 0.97 0.18 0.00 0.00 0.00 0.00 23.12 23.90 2k9a s ALA 10 CO 0.49 -0.43 1.11 1.47 0.00 0.00 0.00 175.76 178.39 2k9a n LEU 11 N -0.70 1.19 -4.80 0.00 -0.00 -1.26 -4.86 117.00 106.57 2k9a n LEU 11 Ca -0.01 -0.59 -0.39 0.00 -0.00 0.00 0.00 56.01 55.01 2k9a n LEU 11 Cb 0.65 -0.18 -0.06 0.00 -0.00 0.00 0.00 43.42 43.83 2k9a n LEU 11 CO 0.36 0.27 0.29 -0.55 -0.00 0.00 0.00 177.39 177.77 2k9a s SER 12 N -0.91 7.08 0.00 1.45 0.15 -1.26 -4.94 113.70 115.27 2k9a s SER 12 Ca 0.13 1.28 0.00 0.00 0.70 0.00 0.00 55.95 58.07 2k9a s SER 12 Cb 0.07 -2.37 0.00 0.00 -1.71 0.00 0.00 66.02 62.01 2k9a s SER 12 CO 0.08 0.24 0.00 0.33 1.20 0.00 0.00 173.24 175.10 2k9a n PHE 13 N 1.86 0.00 -4.27 3.44 7.35 -1.26 -5.13 117.46 119.45 2k9a n PHE 13 Ca -0.09 0.00 -0.19 0.00 -0.76 0.00 0.00 57.45 56.40 2k9a n PHE 13 Cb 0.51 0.01 -0.08 0.00 0.35 0.00 0.00 39.48 40.27 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 -3.48 1.68 0.00 -2.13 0.01 -1.26 -5.03 113.70 103.48 2k9a s SER 14 Ca 0.00 -1.75 0.22 0.00 1.31 0.00 0.00 55.95 55.73 2k9a s SER 14 Cb 0.00 0.57 0.88 0.00 0.21 0.00 0.00 66.02 67.68 2k9a s SER 14 CO 0.00 -1.10 1.62 -1.20 0.41 0.00 0.00 173.24 172.98 2k9a n SER 15 N -1.60 1.44 0.00 2.44 7.64 -1.26 -4.03 113.62 118.25 2k9a n SER 15 Ca 0.07 -1.62 0.03 0.00 1.01 0.00 0.00 58.87 58.37 2k9a n SER 15 Cb 0.62 -0.07 0.18 0.00 -1.01 0.00 0.00 64.21 63.93 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 0.16 1.55 0.79 -0.43 0.00 -1.26 -2.07 120.51 119.24 2k9a n ALA 16 Ca 0.17 -0.03 0.06 0.00 0.00 0.00 0.00 53.44 53.63 2k9a n ALA 16 Cb 0.31 -1.11 0.35 0.00 0.00 0.00 0.00 19.45 19.00 2k9a n ALA 16 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 2k9a n SER 17 N -1.23 0.00 0.00 0.00 7.64 -1.26 -4.82 113.62 113.95 2k9a n SER 17 Ca 0.04 -0.42 0.00 0.00 1.01 0.00 0.00 58.87 59.50 2k9a n SER 17 Cb 0.05 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.25 2k9a n SER 17 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 2k9a n ASP 18 N -0.97 0.00 0.08 6.43 9.92 -1.04 -4.61 116.55 126.35 2k9a n ASP 18 Ca 0.09 0.00 -0.13 0.00 -0.53 0.00 0.00 54.79 54.22 2k9a n ASP 18 Cb 0.04 0.00 -0.08 0.00 -0.64 0.00 0.00 41.12 40.44 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 0.00 -0.23 -0.03 2.24 0.00 -1.88 -2.18 119.26 117.18 2k9a h ALA 19 Ca 0.00 -0.20 -0.00 0.00 0.00 0.00 0.00 54.91 54.71 2k9a h ALA 19 Cb 0.00 0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.88 2k9a h ALA 19 CO 0.00 -0.42 0.00 1.49 0.00 0.00 0.00 179.25 180.32 2k9a h GLU 20 N -0.65 0.06 -0.51 0.00 4.22 -1.82 -2.42 114.58 113.46 2k9a h GLU 20 Ca -0.02 -0.02 0.10 0.00 0.08 0.00 0.00 59.36 59.50 2k9a h GLU 20 Cb 0.47 -0.01 -0.09 0.00 0.50 0.00 0.00 28.75 29.63 2k9a h GLU 20 CO 0.04 0.32 -0.00 0.35 -2.18 0.00 0.00 179.01 177.54 2k9a h PHE 21 N -0.22 -0.04 -0.71 0.92 3.04 -1.51 -1.02 116.94 117.41 2k9a h PHE 21 Ca 0.01 0.04 0.03 0.00 3.98 0.00 0.00 57.97 62.02 2k9a h PHE 21 Cb 0.30 0.10 -0.04 0.00 2.56 0.00 0.00 35.95 38.86 2k9a h PHE 21 CO 0.02 -0.12 0.45 0.22 -2.02 0.00 0.00 178.31 176.86 2k9a h ASP 22 N 0.11 0.74 -0.48 0.41 1.82 -1.34 -2.48 116.42 115.22 2k9a h ASP 22 Ca 0.26 -0.00 0.06 0.00 -0.39 0.00 0.00 57.03 56.96 2k9a h ASP 22 Cb 0.40 -0.17 -0.06 0.00 0.68 0.00 0.00 39.33 40.19 2k9a h ASP 22 CO -0.43 0.52 0.16 0.00 -1.61 0.00 0.00 179.24 177.88 2k9a h ALA 23 N 1.30 0.57 -0.94 -0.78 0.00 -0.69 -1.71 119.26 117.01 2k9a h ALA 23 Ca 0.28 0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.26 2k9a h ALA 23 Cb -0.00 0.05 -0.05 0.00 0.00 0.00 0.00 17.79 17.79 2k9a h ALA 23 CO -0.10 -0.23 0.61 0.28 0.00 0.00 0.00 179.25 179.81 2k9a h VAL 24 N 0.33 1.25 -0.73 0.00 2.07 -0.96 -1.83 116.25 116.37 2k9a h VAL 24 Ca 0.23 -0.48 0.03 0.00 0.82 0.00 0.00 66.70 67.30 2k9a h VAL 24 Cb 0.24 -0.12 -0.04 0.00 -1.52 0.00 0.00 31.29 29.85 2k9a h VAL 24 CO -0.24 0.24 0.48 0.58 0.02 0.00 0.00 177.57 178.66 2k9a h VAL 25 N 1.28 1.13 -0.50 2.57 2.07 -0.90 -1.63 116.25 120.26 2k9a h VAL 25 Ca 0.34 -0.31 -0.12 0.00 0.82 0.00 0.00 66.70 67.43 2k9a h VAL 25 Cb -0.12 0.13 -0.02 0.00 -1.52 0.00 0.00 31.29 29.77 2k9a h VAL 25 CO -0.07 0.17 -0.14 1.23 0.02 0.00 0.00 177.57 178.77 2k9a h GLY 26 N 0.91 1.07 1.79 2.17 0.00 -0.85 -2.60 103.07 105.55 2k9a h GLY 26 Ca 0.29 -0.89 -0.08 0.00 0.00 0.00 0.00 47.33 46.64 2k9a h GLY 26 CO -0.08 0.82 -0.27 -0.97 0.00 0.00 0.00 176.54 176.04 2k9a h TYR 27 N 0.84 0.27 -0.07 5.60 0.05 -1.05 -2.46 116.97 120.16 2k9a h TYR 27 Ca 0.12 -0.05 -0.02 0.00 0.05 0.00 0.00 58.73 58.84 2k9a h TYR 27 Cb 0.71 -0.07 -0.00 0.00 1.01 0.00 0.00 36.73 38.38 2k9a h TYR 27 CO 0.05 0.50 -0.02 -0.07 -1.05 0.00 0.00 178.16 177.57 2k9a h LEU 28 N 0.22 0.14 -1.58 3.88 3.38 -1.14 -2.72 115.31 117.49 2k9a h LEU 28 Ca 0.03 -0.38 -0.02 0.00 0.09 0.00 0.00 57.88 57.61 2k9a h LEU 28 Cb 0.60 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.29 2k9a h LEU 28 CO 0.04 0.49 0.08 -0.33 0.09 0.00 0.00 178.44 178.81 2k9a h GLU 29 N -0.21 0.35 -0.17 1.13 5.08 -1.39 -0.92 114.58 118.45 2k9a h GLU 29 Ca 0.02 -0.04 -0.07 0.00 -1.00 0.00 0.00 59.36 58.26 2k9a h GLU 29 Cb 0.43 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.60 2k9a h GLU 29 CO 0.01 0.31 -0.21 0.22 -1.00 0.00 0.00 179.01 178.34 2k9a h ASP 30 N 0.36 0.29 0.62 1.42 3.58 -1.31 -2.44 116.42 118.93 2k9a h ASP 30 Ca 0.09 -0.08 -0.28 0.00 0.42 0.00 0.00 57.03 57.18 2k9a h ASP 30 Cb 0.11 -0.08 -0.01 0.00 1.72 0.00 0.00 39.33 41.07 2k9a h ASP 30 CO -0.01 0.52 -1.34 0.40 -2.88 0.00 0.00 179.24 175.93 2k9a h ILE 31 N 0.27 1.36 -0.20 2.25 2.04 -0.99 -3.09 117.51 119.16 2k9a h ILE 31 Ca 0.05 -3.00 -0.06 0.00 1.00 0.00 0.00 64.86 62.84 2k9a h ILE 31 Cb 0.53 2.82 -0.01 0.00 -0.74 0.00 0.00 36.82 39.42 2k9a h ILE 31 CO 0.04 0.85 -0.15 0.40 0.00 0.00 0.00 178.15 179.28 2k9a h ILE 32 N 0.05 1.21 -0.06 -0.67 2.04 -1.03 -1.87 117.51 117.20 2k9a h ILE 32 Ca -0.16 -0.94 0.00 0.00 1.00 0.00 0.00 64.86 64.75 2k9a h ILE 32 Cb 1.96 1.23 0.00 0.00 -0.74 0.00 0.00 36.82 39.27 2k9a h ILE 32 CO 0.17 0.30 0.00 0.23 0.00 0.00 0.00 178.15 178.84 2k9a n MET 33 N -4.22 1.73 -2.14 2.37 2.81 -0.93 -4.65 117.12 112.09 2k9a n MET 33 Ca -0.00 -1.07 -0.42 0.00 -1.81 0.00 0.00 57.70 54.40 2k9a n MET 33 Cb 0.31 -1.46 -0.03 0.00 -0.71 0.00 0.00 33.22 31.33 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 -1.90 6.80 0.11 7.83 2.15 -0.70 -4.93 116.67 126.03 2k9a s ASP 34 Ca 0.36 2.44 -0.22 0.00 0.43 0.00 0.00 52.55 55.56 2k9a s ASP 34 Cb 0.20 -2.60 -0.08 0.00 -0.30 0.00 0.00 42.92 40.14 2k9a s ASP 34 CO 0.32 -0.63 1.70 0.44 -0.17 0.00 0.00 175.17 176.83 2k9a h ASP 35 N 5.95 -0.22 0.01 -0.34 5.19 -1.91 -1.24 116.42 123.87 2k9a h ASP 35 Ca -0.44 0.04 -0.00 0.00 -0.62 0.00 0.00 57.03 56.01 2k9a h ASP 35 Cb 1.21 0.11 -0.00 0.00 0.18 0.00 0.00 39.33 40.83 2k9a h ASP 35 CO 0.82 -0.10 -0.01 -0.08 -3.12 0.00 0.00 179.24 176.75 2k9a h GLU 36 N -0.10 0.00 0.02 3.56 4.81 -1.94 -2.12 114.58 118.81 2k9a h GLU 36 Ca 0.05 0.00 -0.15 0.00 -0.13 0.00 0.00 59.36 59.13 2k9a h GLU 36 Cb 0.17 0.00 0.01 0.00 0.63 0.00 0.00 28.75 29.56 2k9a h GLU 36 CO -0.12 0.01 -0.61 0.35 -0.73 0.00 0.00 179.01 177.91 2k9a h PHE 37 N 0.00 0.58 -0.45 0.92 3.57 -1.53 -2.69 116.94 117.33 2k9a h PHE 37 Ca -0.00 -0.33 -0.05 0.00 3.53 0.00 0.00 57.97 61.13 2k9a h PHE 37 Cb 0.01 -0.06 -0.02 0.00 2.79 0.00 0.00 35.95 38.67 2k9a h PHE 37 CO 0.00 1.16 0.09 1.96 -2.23 0.00 0.00 178.31 179.29 2k9a h GLN 38 N -0.16 0.68 0.13 1.11 4.20 -0.72 -1.00 115.11 119.36 2k9a h GLN 38 Ca -0.08 -0.13 -0.01 0.00 0.06 0.00 0.00 58.65 58.49 2k9a h GLN 38 Cb 1.34 -0.11 0.00 0.00 0.30 0.00 0.00 27.48 29.01 2k9a h GLN 38 CO 0.12 0.64 -0.06 1.25 -0.67 0.00 0.00 178.83 180.10 2k9a h LEU 39 N 0.66 -0.15 -1.02 1.46 6.46 -1.47 -2.56 115.31 118.69 2k9a h LEU 39 Ca 0.15 -0.34 0.02 0.00 -0.12 0.00 0.00 57.88 57.59 2k9a h LEU 39 Cb 0.28 0.04 -0.05 0.00 -0.73 0.00 0.00 40.66 40.19 2k9a h LEU 39 CO 0.00 0.29 0.66 0.25 -0.62 0.00 0.00 178.44 179.02 2k9a h LEU 40 N -0.63 1.12 -0.35 2.25 6.46 -1.39 -0.67 115.31 122.10 2k9a h LEU 40 Ca -0.02 -0.02 -0.01 0.00 -0.12 0.00 0.00 57.88 57.71 2k9a h LEU 40 Cb 0.48 -0.27 -0.02 0.00 -0.73 0.00 0.00 40.66 40.13 2k9a h LEU 40 CO 0.03 0.79 0.18 -0.61 -0.62 0.00 0.00 178.44 178.21 2k9a h GLN 41 N 1.31 0.49 -0.32 1.25 4.15 -1.20 -2.23 115.11 118.56 2k9a h GLN 41 Ca 0.38 -0.06 -0.14 0.00 0.77 0.00 0.00 58.65 59.60 2k9a h GLN 41 Cb -0.08 -0.09 -0.01 0.00 0.21 0.00 0.00 27.48 27.51 2k9a h GLN 41 CO -0.10 0.42 -0.38 -0.09 -1.93 0.00 0.00 178.83 176.75 2k9a h ARG 42 N 0.43 0.75 -0.10 1.69 9.65 -1.11 -1.10 114.38 124.60 2k9a h ARG 42 Ca 0.12 -0.38 -0.00 0.00 -1.10 0.00 0.00 59.98 58.62 2k9a h ARG 42 Cb 0.08 0.01 -0.00 0.00 -1.39 0.00 0.00 29.97 28.66 2k9a h ARG 42 CO -0.02 1.00 0.06 -0.91 2.80 0.00 0.00 179.97 182.90 2k9a h ASN 43 N 0.62 0.12 -0.06 -3.80 4.21 -0.96 -1.80 115.58 113.91 2k9a h ASN 43 Ca 0.06 -0.04 -0.17 0.00 1.21 0.00 0.00 56.30 57.36 2k9a h ASN 43 Cb 0.92 -0.03 0.01 0.00 -1.12 0.00 0.00 38.32 38.10 2k9a h ASN 43 CO 0.08 0.13 -0.62 -0.26 -1.29 0.00 0.00 177.43 175.47 2k9a h PHE 44 N 0.10 0.73 -0.16 1.19 0.04 -1.43 -3.13 116.94 114.27 2k9a h PHE 44 Ca 0.04 -0.36 0.05 0.00 2.80 0.00 0.00 57.97 60.50 2k9a h PHE 44 Cb 0.03 -0.10 -0.01 0.00 2.20 0.00 0.00 35.95 38.07 2k9a h PHE 44 CO -0.06 1.16 0.19 0.52 -0.60 0.00 0.00 178.31 179.52 2k9a h MET 45 N 0.09 0.00 -0.06 1.51 2.86 -1.17 0.75 114.93 118.91 2k9a h MET 45 Ca -0.06 0.00 -0.05 0.00 -2.06 0.00 0.00 59.70 57.52 2k9a h MET 45 Cb 1.29 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.94 2k9a h MET 45 CO 0.12 0.00 -0.21 0.22 1.06 0.00 0.00 176.91 178.10 2k9a h ASP 46 N 0.00 0.10 0.09 1.22 3.58 -1.26 -1.36 116.42 118.78 2k9a h ASP 46 Ca 0.08 -0.02 -0.32 0.00 0.42 0.00 0.00 57.03 57.18 2k9a h ASP 46 Cb 0.45 -0.03 -0.02 0.00 1.72 0.00 0.00 39.33 41.45 2k9a h ASP 46 CO -0.00 0.32 -1.75 1.17 -2.88 0.00 0.00 179.24 176.10 2k9a n LYS 47 N -4.24 0.70 0.21 0.28 3.00 0.16 -4.08 118.16 114.19 2k9a n LYS 47 Ca -0.02 0.37 -0.15 0.00 -0.00 0.00 0.00 58.31 58.51 2k9a n LYS 47 Cb 0.30 -1.72 -0.08 0.00 0.00 0.00 0.00 35.03 33.53 2k9a n LYS 47 CO 0.00 0.00 0.00 1.88 0.00 0.00 0.00 177.40 179.28 2k9a h TYR 48 N -0.28 -0.46 0.00 5.64 -1.99 -1.28 -2.02 116.97 116.58 2k9a h TYR 48 Ca -0.40 -0.01 0.00 0.00 2.00 0.00 0.00 58.73 60.32 2k9a h TYR 48 Cb 1.80 0.16 0.00 0.00 2.00 0.00 0.00 36.73 40.69 2k9a h TYR 48 CO 0.08 -0.28 0.21 0.10 -0.00 0.00 0.00 178.16 178.27 2k9a h TYR 49 N -0.48 0.00 0.07 4.88 -0.00 -1.46 -0.96 116.97 119.03 2k9a h TYR 49 Ca -0.04 0.00 -0.11 0.00 -0.00 0.00 0.00 58.73 58.58 2k9a h TYR 49 Cb 0.38 0.00 0.01 0.00 -0.00 0.00 0.00 36.73 37.12 2k9a h TYR 49 CO -0.07 0.00 -0.48 -0.07 -0.00 0.00 0.00 178.16 177.55 2k9a h LEU 50 N 0.00 0.25 -0.65 0.10 3.38 -1.52 -3.35 115.31 113.51 2k9a h LEU 50 Ca 0.00 -0.96 -0.04 0.00 0.09 0.00 0.00 57.88 56.97 2k9a h LEU 50 Cb 0.42 -0.08 -0.03 0.00 0.09 0.00 0.00 40.66 41.06 2k9a h LEU 50 CO 0.00 1.23 0.25 -0.33 0.09 0.00 0.00 178.44 179.67 2k9a h GLU 51 N -0.67 0.99 -5.91 1.13 4.39 -0.87 -3.36 114.58 110.28 2k9a h GLU 51 Ca -0.09 -0.19 -0.50 0.00 0.34 0.00 0.00 59.36 58.92 2k9a h GLU 51 Cb 1.35 -0.16 -0.08 0.00 -0.10 0.00 0.00 28.75 29.77 2k9a h GLU 51 CO 0.07 0.84 1.34 -0.06 -1.16 0.00 0.00 179.01 180.04 2k9a s PHE 52 N -5.51 2.31 0.24 4.33 0.08 -0.69 -4.96 117.98 113.78 2k9a s PHE 52 Ca -0.13 -0.42 0.04 0.00 0.12 0.00 0.00 56.93 56.55 2k9a s PHE 52 Cb 0.14 -4.46 -0.03 0.00 -0.57 0.00 0.00 43.02 38.09 2k9a s PHE 52 CO 0.81 -1.81 0.38 -1.21 -0.10 0.00 0.00 175.22 173.29 2k9a s GLU 53 N 5.58 3.45 -0.85 0.44 2.02 -1.26 -4.73 118.70 123.35 2k9a s GLU 53 Ca 0.56 -0.68 -0.25 0.00 0.02 0.00 0.00 54.97 54.61 2k9a s GLU 53 Cb -0.01 -2.87 0.04 0.00 0.10 0.00 0.00 34.13 31.39 2k9a s GLU 53 CO -0.03 0.40 1.32 0.34 0.02 0.00 0.00 175.26 177.31 2k9a s ASP 54 N -3.90 6.30 0.44 -0.19 -1.08 -1.26 -4.96 116.67 112.03 2k9a s ASP 54 Ca 0.35 -0.91 0.03 0.00 -0.52 0.00 0.00 52.55 51.50 2k9a s ASP 54 Cb -0.09 -2.55 -0.02 0.00 -1.46 0.00 0.00 42.92 38.80 2k9a s ASP 54 CO 0.30 -1.66 0.11 0.42 0.52 0.00 0.00 175.17 174.85 2k9a s THR 55 N 5.24 0.67 -0.22 1.71 -4.23 -1.26 -5.08 115.64 112.48 2k9a s THR 55 Ca 0.38 -2.00 0.10 0.00 -1.18 0.00 0.00 61.69 58.99 2k9a s THR 55 Cb -0.05 -2.25 -0.20 0.00 1.34 0.00 0.00 72.50 71.33 2k9a s THR 55 CO 0.05 0.00 -0.07 -0.62 -0.54 0.00 0.00 174.62 173.43 2k9a n GLU 56 N -1.03 0.74 -4.08 3.99 1.02 -1.26 -4.95 120.64 115.07 2k9a n GLU 56 Ca -0.10 0.06 -0.36 0.00 -0.02 0.00 0.00 57.16 56.75 2k9a n GLU 56 Cb 0.65 -1.49 -0.08 0.00 -0.02 0.00 0.00 31.44 30.50 2k9a n GLU 56 CO 0.00 0.00 0.00 -1.21 1.18 0.00 0.00 177.13 177.10 2k9a s GLU 57 N -2.48 3.44 0.61 3.49 2.02 -1.26 -5.11 118.70 119.42 2k9a s GLU 57 Ca -0.21 -0.28 -0.05 0.00 0.02 0.00 0.00 54.97 54.45 2k9a s GLU 57 Cb 0.07 -3.07 0.03 0.00 0.10 0.00 0.00 34.13 31.26 2k9a s GLU 57 CO 0.68 0.61 0.91 -0.80 0.02 0.00 0.00 175.26 176.68 2k9a s ASN 58 N -0.58 5.32 0.31 -0.19 0.01 -1.26 -5.11 114.94 113.43 2k9a s ASN 58 Ca 0.11 0.52 0.04 0.00 -0.71 0.00 0.00 52.86 52.82 2k9a s ASN 58 Cb -0.12 -1.40 -0.06 0.00 0.41 0.00 0.00 41.25 40.08 2k9a s ASN 58 CO 0.02 -1.22 0.05 -0.54 -1.51 0.00 0.00 177.10 173.90 2k9a s LYS 59 N -5.02 1.59 0.34 -0.60 1.02 -1.26 -5.04 119.74 110.78 2k9a s LYS 59 Ca 0.56 -1.87 0.24 0.00 0.02 0.00 0.00 55.97 54.92 2k9a s LYS 59 Cb -0.11 -0.79 0.53 0.00 -0.52 0.00 0.00 37.83 36.95 2k9a s LYS 59 CO 0.44 -0.18 1.67 1.25 -0.92 0.00 0.00 175.35 177.61 2k9a h LEU 60 N 2.19 0.00 -1.67 3.17 5.85 -2.04 -3.19 115.31 119.62 2k9a h LEU 60 Ca -0.40 -0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.32 2k9a h LEU 60 Cb 1.24 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.27 2k9a h LEU 60 CO 0.68 0.00 0.00 -0.29 -0.34 0.00 0.00 178.44 178.49 2k9a h ILE 61 N 0.00 0.00 0.00 4.05 6.09 -2.02 -1.97 117.51 123.66 2k9a h ILE 61 Ca 0.00 -0.18 -0.01 0.00 -1.37 0.00 0.00 64.86 63.30 2k9a h ILE 61 Cb 0.89 0.99 -0.00 0.00 0.47 0.00 0.00 36.82 39.17 2k9a h ILE 61 CO 0.00 0.00 -0.05 1.88 -3.07 0.00 0.00 178.15 176.91 2k9a h TYR 62 N 0.00 0.00 0.08 2.19 -1.99 -1.99 -2.84 116.97 112.42 2k9a h TYR 62 Ca 0.00 0.00 -0.00 0.00 2.00 0.00 0.00 58.73 60.73 2k9a h TYR 62 Cb 0.22 0.00 0.00 0.00 2.00 0.00 0.00 36.73 38.95 2k9a h TYR 62 CO 0.00 0.05 -0.04 1.15 -0.00 0.00 0.00 178.16 179.32 2k9a h THR 63 N 0.00 1.15 -0.62 -2.88 2.02 -1.60 -2.62 112.91 108.36 2k9a h THR 63 Ca -0.00 -1.42 -0.05 0.00 0.77 0.00 0.00 66.41 65.71 2k9a h THR 63 Cb 0.51 1.98 -0.03 0.00 -1.74 0.00 0.00 68.15 68.88 2k9a h THR 63 CO 0.01 0.32 0.18 1.55 0.37 0.00 0.00 175.52 177.95 2k9a h PRO 64 N -0.82 0.94 -0.40 6.66 0.13 -1.71 -2.42 132.00 134.38 2k9a h PRO 64 Ca -0.01 -0.19 -0.02 0.00 -0.87 0.00 0.00 66.00 64.91 2k9a h PRO 64 Cb 0.60 -0.14 -0.02 0.00 0.13 0.00 0.00 31.00 31.57 2k9a h PRO 64 CO 0.02 0.81 0.16 0.82 -0.23 0.00 0.00 178.00 179.58 2k9a h ILE 65 N 0.91 1.20 -0.31 -3.56 2.04 -1.61 -2.12 117.51 114.05 2k9a h ILE 65 Ca 0.20 -0.61 0.01 0.00 1.00 0.00 0.00 64.86 65.47 2k9a h ILE 65 Cb 0.28 0.86 -0.02 0.00 -0.74 0.00 0.00 36.82 37.19 2k9a h ILE 65 CO -0.01 0.22 0.17 0.15 0.00 0.00 0.00 178.15 178.68 2k9a h PHE 66 N 0.49 0.32 -0.79 1.37 3.57 -1.26 -2.10 116.94 118.54 2k9a h PHE 66 Ca 0.13 0.01 0.05 0.00 3.53 0.00 0.00 57.97 61.69 2k9a h PHE 66 Cb 0.19 -0.10 -0.05 0.00 2.79 0.00 0.00 35.95 38.78 2k9a h PHE 66 CO -0.00 0.19 0.52 -0.91 -2.23 0.00 0.00 178.31 175.87 2k9a h ASN 67 N 0.35 0.80 -0.30 0.41 -0.26 -1.30 -1.06 115.58 114.23 2k9a h ASN 67 Ca 0.12 -0.00 -0.05 0.00 -0.56 0.00 0.00 56.30 55.81 2k9a h ASN 67 Cb 0.01 -0.18 -0.02 0.00 -1.06 0.00 0.00 38.32 37.07 2k9a h ASN 67 CO -0.07 0.54 0.04 -0.08 -1.06 0.00 0.00 177.43 176.81 2k9a h GLU 68 N 0.93 0.60 -0.38 0.81 4.81 -0.74 -1.54 114.58 119.07 2k9a h GLU 68 Ca 0.33 -0.12 -0.12 0.00 -0.13 0.00 0.00 59.36 59.31 2k9a h GLU 68 Cb 0.12 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 29.40 2k9a h GLU 68 CO -0.10 0.59 -0.25 -0.92 -0.73 0.00 0.00 179.01 177.60 2k9a h TYR 69 N 0.58 0.88 0.00 0.92 3.20 -0.67 0.04 116.97 121.92 2k9a h TYR 69 Ca 0.13 -0.21 -0.14 0.00 3.14 0.00 0.00 58.73 61.65 2k9a h TYR 69 Cb 0.31 -0.21 -0.02 0.00 1.54 0.00 0.00 36.73 38.35 2k9a h TYR 69 CO 0.01 0.94 -0.66 0.82 -1.64 0.00 0.00 178.16 177.63 2k9a h ILE 70 N 0.67 1.41 0.00 1.81 1.08 -1.03 -0.75 117.51 120.70 2k9a h ILE 70 Ca 0.09 -2.31 -0.21 0.00 -0.39 0.00 0.00 64.86 62.03 2k9a h ILE 70 Cb 0.76 2.27 -0.03 0.00 -3.07 0.00 0.00 36.82 36.75 2k9a h ILE 70 CO 0.06 0.65 -1.24 0.28 -0.69 0.00 0.00 178.15 177.21 2k9a h SER 71 N 0.00 0.00 0.00 1.72 0.02 -1.13 -0.97 113.55 113.19 2k9a h SER 71 Ca -0.01 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.94 2k9a h SER 71 Cb 1.21 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.75 2k9a h SER 71 CO 0.09 0.85 -0.30 -0.11 -1.14 0.00 0.00 176.83 176.22 2k9a n LEU 72 N -3.15 1.03 0.08 5.07 -0.00 -0.01 -4.19 117.00 115.82 2k9a n LEU 72 Ca -0.07 0.46 -0.04 0.00 -0.00 0.00 0.00 56.01 56.36 2k9a n LEU 72 Cb 0.93 -0.71 -0.02 0.00 -0.00 0.00 0.00 43.42 43.62 2k9a n LEU 72 CO 0.45 -0.48 0.14 0.58 -0.00 0.00 0.00 177.39 178.07 2k9a h VAL 73 N -0.57 0.00 -0.65 1.96 2.07 -1.35 -2.42 116.25 115.29 2k9a h VAL 73 Ca 0.00 -0.57 0.11 0.00 0.82 0.00 0.00 66.70 67.06 2k9a h VAL 73 Cb 0.30 0.00 -0.08 0.00 -1.52 0.00 0.00 31.29 29.99 2k9a h VAL 73 CO 0.00 0.00 0.24 -0.08 0.02 0.00 0.00 177.57 177.75 2k9a h GLU 74 N -0.85 0.39 -0.67 1.57 4.22 -1.52 -1.04 114.58 116.68 2k9a h GLU 74 Ca -0.03 -0.02 -0.06 0.00 0.08 0.00 0.00 59.36 59.32 2k9a h GLU 74 Cb 0.21 -0.09 -0.03 0.00 0.50 0.00 0.00 28.75 29.35 2k9a h GLU 74 CO 0.05 0.26 0.17 -0.22 -2.18 0.00 0.00 179.01 177.09 2k9a h LYS 75 N 0.40 1.07 -0.80 1.92 3.64 -1.31 -2.68 116.57 118.82 2k9a h LYS 75 Ca 0.34 -0.25 0.06 0.00 -1.27 0.00 0.00 60.65 59.52 2k9a h LYS 75 Cb 0.45 -0.14 -0.05 0.00 -0.41 0.00 0.00 32.23 32.08 2k9a h LYS 75 CO -0.34 0.95 0.52 -0.92 -2.27 0.00 0.00 179.45 177.39 2k9a h TYR 76 N 1.00 0.90 0.28 1.91 3.20 -0.68 -0.57 116.97 123.00 2k9a h TYR 76 Ca 0.21 0.02 -0.01 0.00 3.14 0.00 0.00 58.73 62.09 2k9a h TYR 76 Cb 0.35 -0.30 0.00 0.00 1.54 0.00 0.00 36.73 38.33 2k9a h TYR 76 CO 0.03 0.49 -0.13 0.82 -1.64 0.00 0.00 178.16 177.72 2k9a h ILE 77 N 0.90 0.75 -0.08 1.81 2.04 -1.06 -2.38 117.51 119.49 2k9a h ILE 77 Ca 0.34 -0.61 0.02 0.00 1.00 0.00 0.00 64.86 65.61 2k9a h ILE 77 Cb 0.18 1.07 -0.02 0.00 -0.74 0.00 0.00 36.82 37.31 2k9a h ILE 77 CO -0.11 0.12 -0.05 -0.08 0.00 0.00 0.00 178.15 178.03 2k9a h GLU 78 N -0.71 -0.06 -0.08 2.37 4.81 -1.24 -2.29 114.58 117.38 2k9a h GLU 78 Ca -0.04 0.00 0.04 0.00 -0.13 0.00 0.00 59.36 59.23 2k9a h GLU 78 Cb 0.48 0.01 -0.05 0.00 0.63 0.00 0.00 28.75 29.83 2k9a h GLU 78 CO 0.06 -0.04 -0.20 0.93 -0.73 0.00 0.00 179.01 179.04 2k9a h GLU 79 N -0.06 -0.27 -0.22 1.92 5.08 -1.17 -0.19 114.58 119.68 2k9a h GLU 79 Ca 0.05 0.02 0.05 0.00 -1.00 0.00 0.00 59.36 58.48 2k9a h GLU 79 Cb 0.13 0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.43 2k9a h GLU 79 CO -0.11 -0.18 0.15 1.96 -1.00 0.00 0.00 179.01 179.83 2k9a h GLN 80 N -0.28 0.07 0.11 2.33 1.08 -1.28 -1.70 115.11 115.44 2k9a h GLN 80 Ca 0.08 -0.00 -0.28 0.00 -1.45 0.00 0.00 58.65 57.00 2k9a h GLN 80 Cb 0.40 -0.02 0.02 0.00 -0.05 0.00 0.00 27.48 27.83 2k9a h GLN 80 CO -0.24 0.05 -1.20 -0.07 -0.95 0.00 0.00 178.83 176.41 2k9a h LEU 81 N 0.07 0.72 -1.59 1.46 3.38 -0.72 -3.22 115.31 115.40 2k9a h LEU 81 Ca 0.10 -0.67 -0.02 0.00 0.09 0.00 0.00 57.88 57.37 2k9a h LEU 81 Cb 0.31 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 40.82 2k9a h LEU 81 CO -0.01 1.49 -0.11 -0.07 0.09 0.00 0.00 178.44 179.83 2k9a h LEU 82 N 0.22 0.00 -1.97 1.67 -0.00 -0.22 -2.22 115.31 112.78 2k9a h LEU 82 Ca -0.16 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.72 2k9a h LEU 82 Cb 1.88 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 42.54 2k9a h LEU 82 CO 0.22 0.11 0.31 1.56 -0.00 0.00 0.00 178.44 180.64 2k9a h GLN 83 N 0.00 0.00 0.00 1.13 1.08 -1.36 -2.59 115.11 113.36 2k9a h GLN 83 Ca -0.00 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 2k9a h GLN 83 Cb 0.50 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.93 2k9a h GLN 83 CO 0.01 0.00 -0.88 -2.13 -0.95 0.00 0.00 178.83 174.88 2k9a n ARG 84 N -2.83 3.27 -3.81 1.46 0.63 -1.05 -4.95 116.66 109.38 2k9a n ARG 84 Ca -0.02 0.00 -0.35 0.00 -0.92 0.00 0.00 57.85 56.56 2k9a n ARG 84 Cb 0.35 -0.94 -0.12 0.00 0.45 0.00 0.00 32.46 32.21 2k9a n ARG 84 CO 0.00 0.00 0.00 0.42 -2.51 0.00 0.00 177.63 175.54 2k9a s ILE 85 N -1.88 3.21 -0.98 5.15 1.01 -0.86 -4.93 121.20 121.91 2k9a s ILE 85 Ca 0.00 -2.51 0.22 0.00 0.00 0.00 0.00 60.65 58.37 2k9a s ILE 85 Cb 0.00 -3.18 0.19 0.00 0.01 0.00 0.00 42.46 39.48 2k9a s ILE 85 CO 0.00 -0.75 1.72 -0.81 0.00 0.00 0.00 174.94 175.10 2k9a n PRO 86 N 4.05 0.01 -0.38 2.79 -0.04 -1.24 -2.64 135.00 137.55 2k9a n PRO 86 Ca 0.02 0.12 0.08 0.00 -0.04 0.00 0.00 63.50 63.69 2k9a n PRO 86 Cb 0.39 -1.51 0.23 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 -1.53 2.96 -1.81 0.54 0.28 -1.26 -5.03 120.64 114.79 2k9a n GLU 87 Ca 0.05 -2.62 -0.37 0.00 -0.16 0.00 0.00 57.16 54.06 2k9a n GLU 87 Cb 0.26 -1.69 0.05 0.00 1.43 0.00 0.00 31.44 31.50 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 -2.29 2.22 -0.50 -1.84 5.36 -1.08 -5.00 117.98 114.85 2k9a s PHE 88 Ca 0.37 1.44 0.04 0.00 -0.96 0.00 0.00 56.93 57.82 2k9a s PHE 88 Cb 0.28 -3.71 0.17 0.00 -0.34 0.00 0.00 43.02 39.41 2k9a s PHE 88 CO 0.11 -2.80 0.38 0.54 -1.46 0.00 0.00 175.22 171.98 2k9a s ASN 89 N -1.21 2.68 0.52 6.13 4.22 -1.26 -4.95 114.94 121.07 2k9a s ASN 89 Ca 0.77 -3.25 0.22 0.00 -2.14 0.00 0.00 52.86 48.46 2k9a s ASN 89 Cb -0.38 -0.85 1.40 0.00 1.28 0.00 0.00 41.25 42.71 2k9a s ASN 89 CO 0.42 -0.15 2.12 -0.03 -2.04 0.00 0.00 177.10 177.42 2k9a h MET 90 N 5.68 0.00 0.73 3.55 4.05 -1.98 -0.95 114.93 126.01 2k9a h MET 90 Ca 0.20 0.00 -0.04 0.00 -0.28 0.00 0.00 59.70 59.59 2k9a h MET 90 Cb 0.86 0.00 0.01 0.00 -0.80 0.00 0.00 31.60 31.67 2k9a h MET 90 CO 0.48 0.08 -0.35 0.00 0.23 0.00 0.00 176.91 177.35 2k9a h ALA 91 N 1.92 -0.98 0.00 0.39 0.00 -2.00 -1.26 119.26 117.33 2k9a h ALA 91 Ca -0.00 -0.22 -0.06 0.00 0.00 0.00 0.00 54.91 54.62 2k9a h ALA 91 Cb 0.17 0.38 -0.01 0.00 0.00 0.00 0.00 17.79 18.33 2k9a h ALA 91 CO 0.01 -1.00 -0.30 0.00 0.00 0.00 0.00 179.25 177.97 2k9a h ALA 92 N -0.88 1.07 -0.02 0.00 0.00 -1.96 -2.74 119.26 114.74 2k9a h ALA 92 Ca -0.10 -0.27 -0.00 0.00 0.00 0.00 0.00 54.91 54.54 2k9a h ALA 92 Cb 0.77 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.51 2k9a h ALA 92 CO 0.16 0.37 0.00 0.35 0.00 0.00 0.00 179.25 180.14 2k9a h PHE 93 N 0.00 0.04 -0.51 0.00 3.57 -1.03 -2.26 116.94 116.75 2k9a h PHE 93 Ca -0.00 -0.01 -0.07 0.00 3.53 0.00 0.00 57.97 61.42 2k9a h PHE 93 Cb 0.75 -0.01 -0.02 0.00 2.79 0.00 0.00 35.95 39.46 2k9a h PHE 93 CO 0.00 0.29 0.05 1.79 -2.23 0.00 0.00 178.31 178.21 2k9a h THR 94 N -0.22 1.26 -0.59 4.41 1.35 -1.19 0.12 112.91 118.04 2k9a h THR 94 Ca 0.01 -1.01 0.06 0.00 -0.55 0.00 0.00 66.41 64.92 2k9a h THR 94 Cb 0.28 0.90 -0.06 0.00 -1.73 0.00 0.00 68.15 67.54 2k9a h THR 94 CO 0.00 0.36 0.29 0.74 -0.25 0.00 0.00 175.52 176.66 2k9a h THR 95 N 0.75 0.91 0.00 6.82 2.02 -1.47 -1.81 112.91 120.13 2k9a h THR 95 Ca 0.15 -0.19 -0.17 0.00 0.77 0.00 0.00 66.41 66.98 2k9a h THR 95 Cb 0.45 0.32 -0.02 0.00 -1.74 0.00 0.00 68.15 67.16 2k9a h THR 95 CO 0.02 0.10 -0.79 0.74 0.37 0.00 0.00 175.52 175.95 2k9a h THR 96 N 0.54 1.47 -0.11 3.16 2.02 -1.28 -3.34 112.91 115.37 2k9a h THR 96 Ca 0.27 -2.82 0.03 0.00 0.77 0.00 0.00 66.41 64.67 2k9a h THR 96 Cb 0.22 2.56 -0.03 0.00 -1.74 0.00 0.00 68.15 69.16 2k9a h THR 96 CO -0.20 0.78 -0.07 0.25 0.37 0.00 0.00 175.52 176.64 2k9a h LEU 97 N 0.00 -0.23 -1.53 2.58 6.46 0.09 0.14 115.31 122.82 2k9a h LEU 97 Ca -0.01 0.05 0.21 0.00 -0.12 0.00 0.00 57.88 58.01 2k9a h LEU 97 Cb 1.50 0.12 -0.07 0.00 -0.73 0.00 0.00 40.66 41.48 2k9a h LEU 97 CO 0.10 -0.10 0.60 0.06 -0.62 0.00 0.00 178.44 178.49 2k9a h GLN 98 N -0.07 0.37 0.18 1.25 3.07 -1.58 0.26 115.11 118.59 2k9a h GLN 98 Ca 0.07 -0.02 -0.29 0.00 0.09 0.00 0.00 58.65 58.49 2k9a h GLN 98 Cb 0.17 -0.08 0.02 0.00 0.08 0.00 0.00 27.48 27.67 2k9a h GLN 98 CO -0.16 0.25 -1.39 0.45 0.09 0.00 0.00 178.83 178.07 2k9a h HIS 99 N 0.38 0.69 0.00 0.06 3.86 -1.60 -3.26 115.15 115.28 2k9a h HIS 99 Ca 0.48 -0.51 0.00 0.00 -1.16 0.00 0.00 60.37 59.18 2k9a h HIS 99 Cb 1.22 -0.03 0.00 0.00 1.06 0.00 0.00 27.41 29.66 2k9a h HIS 99 CO -0.00 1.54 0.00 1.58 0.86 0.00 0.00 177.93 181.91 2k9a n HIS 100 N -3.83 0.00 0.25 2.45 -0.00 -0.01 -2.67 115.22 111.41 2k9a n HIS 100 Ca -0.20 0.00 0.17 0.00 0.46 0.00 0.00 57.72 58.14 2k9a n HIS 100 Cb 0.99 -0.26 0.88 0.00 -0.12 0.00 0.00 29.99 31.47 2k9a n HIS 100 CO 0.00 0.00 0.00 -0.22 0.46 0.00 0.00 176.34 176.58 2k9a h LYS 101 N 0.00 0.00 0.00 1.57 3.64 -0.59 -1.49 116.57 119.70 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 0.15 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.97 2k9a h LYS 101 CO 0.00 0.00 0.02 -3.47 -2.27 0.00 0.00 179.45 173.73 2k9a n ASP 102 N -2.64 0.39 0.00 4.20 2.03 -1.09 -2.96 116.55 116.49 2k9a n ASP 102 Ca -0.02 0.68 0.00 0.00 0.52 0.00 0.00 54.79 55.97 2k9a n ASP 102 Cb 0.06 -0.72 0.00 0.00 -0.72 0.00 0.00 41.12 39.74 2k9a n ASP 102 CO 0.00 0.00 0.00 1.21 -1.92 0.00 0.00 177.20 176.49 2k9a n GLU 103 N -2.03 1.60 -2.21 -0.67 2.13 -0.60 -5.08 120.64 113.79 2k9a n GLU 103 Ca -0.01 0.00 -0.36 0.00 0.66 0.00 0.00 57.16 57.45 2k9a n GLU 103 Cb 0.04 -0.76 0.00 0.00 0.27 0.00 0.00 31.44 30.99 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 -1.52 3.01 -0.34 6.31 1.01 -0.95 -4.88 120.40 123.04 2k9a s VAL 104 Ca 0.00 0.71 -0.30 0.00 0.00 0.00 0.00 61.98 62.39 2k9a s VAL 104 Cb 0.00 -3.33 -0.08 0.00 0.00 0.00 0.00 36.38 32.97 2k9a s VAL 104 CO 0.00 -0.06 2.28 0.00 0.00 0.00 0.00 175.10 177.31 2k9a n ALA 105 N -0.88 1.36 0.20 5.51 0.00 -1.26 -4.81 120.51 120.62 2k9a n ALA 105 Ca 0.09 -0.35 0.05 0.00 0.00 0.00 0.00 53.44 53.23 2k9a n ALA 105 Cb 0.49 -2.87 0.47 0.00 0.00 0.00 0.00 19.45 17.54 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 15.27 0.06 1.03 0.00 0.00 -1.90 -2.67 103.07 114.86 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 0.15 -0.55 0.00 0.00 0.00 176.54 177.20 2k9a h ASP 107 N 0.05 0.96 0.02 0.19 3.32 -1.99 0.14 116.42 119.12 2k9a h ASP 107 Ca 0.01 -0.24 -0.00 0.00 0.02 0.00 0.00 57.03 56.82 2k9a h ASP 107 Cb 0.34 -0.25 0.00 0.00 0.22 0.00 0.00 39.33 39.64 2k9a h ASP 107 CO 0.02 0.95 -0.01 0.40 -1.72 0.00 0.00 179.24 178.88 2k9a h ILE 108 N 0.93 1.33 0.00 0.35 1.08 -1.89 -3.16 117.51 116.15 2k9a h ILE 108 Ca 0.20 -1.12 -0.05 0.00 -0.39 0.00 0.00 64.86 63.49 2k9a h ILE 108 Cb 0.36 2.08 -0.01 0.00 -3.07 0.00 0.00 36.82 36.19 2k9a h ILE 108 CO 0.00 0.29 -0.25 0.15 -0.69 0.00 0.00 178.15 177.65 2k9a h PHE 109 N -0.52 0.00 -1.15 1.37 3.57 -1.48 -2.79 116.94 115.94 2k9a h PHE 109 Ca -0.00 0.00 0.33 0.00 3.53 0.00 0.00 57.97 61.83 2k9a h PHE 109 Cb 0.49 0.00 -0.05 0.00 2.79 0.00 0.00 35.95 39.19 2k9a h PHE 109 CO 0.09 0.25 0.86 0.22 -2.23 0.00 0.00 178.31 177.50 2k9a h ASP 110 N 0.00 0.00 0.08 0.41 1.82 -0.67 0.67 116.42 118.73 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 0.49 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.50 2k9a h ASP 110 CO 0.03 0.00 -0.04 -0.03 -1.61 0.00 0.00 179.24 177.59 2k9a h MET 111 N 0.00 -0.11 0.00 0.28 4.05 -1.63 -3.21 114.93 114.31 2k9a h MET 111 Ca 0.55 0.01 -0.02 0.00 -0.28 0.00 0.00 59.70 59.95 2k9a h MET 111 Cb 2.26 0.02 -0.00 0.00 -0.80 0.00 0.00 31.60 33.08 2k9a h MET 111 CO -0.01 0.42 -0.10 -0.07 0.23 0.00 0.00 176.91 177.38 2k9a h LEU 112 N -0.75 0.00 -1.93 3.39 3.38 -0.69 -2.82 115.31 115.90 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 0.58 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.30 2k9a h LEU 112 CO 0.02 0.10 0.60 0.25 0.09 0.00 0.00 178.44 179.50 2k9a h LEU 113 N 0.00 0.00 0.00 1.67 5.85 0.15 0.13 115.31 123.12 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 -3.95 0.00 -0.00 1.05 -2.24 -1.06 -2.29 114.28 105.78 2k9a n THR 114 Ca 0.14 0.00 -0.01 0.00 -2.27 0.00 0.00 64.05 61.91 2k9a n THR 114 Cb 0.85 -0.72 0.27 0.00 -2.10 0.00 0.00 70.33 68.63 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 0.55 0.00 4.78 0.04 -0.99 -3.38 116.94 117.94 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 0.00 -0.15 0.00 0.00 2.20 0.00 0.00 35.95 38.00 2k9a h PHE 115 CO 0.00 0.58 -0.23 0.25 -0.60 0.00 0.00 178.31 178.31 2k9a n THR 116 N -4.24 0.00 -2.48 -1.55 -2.24 -1.11 -4.97 114.28 97.69 2k9a n THR 116 Ca 0.01 0.00 -0.39 0.00 -2.27 0.00 0.00 64.05 61.40 2k9a n THR 116 Cb 0.28 -0.08 -0.03 0.00 -2.10 0.00 0.00 70.33 68.40 2k9a n THR 116 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2k9a s ASP 117 N -1.03 6.35 0.44 3.42 -1.08 -0.97 -4.80 116.67 119.00 2k9a s ASP 117 Ca 0.00 -1.66 0.12 0.00 -0.52 0.00 0.00 52.55 50.48 2k9a s ASP 117 Cb 0.00 -2.57 1.00 0.00 -1.46 0.00 0.00 42.92 39.89 2k9a s ASP 117 CO 0.00 -1.65 2.04 0.15 0.52 0.00 0.00 175.17 176.22 2k9a h PHE 118 N 9.32 0.40 -0.99 -5.34 3.57 -1.88 -1.59 116.94 120.42 2k9a h PHE 118 Ca 0.26 0.01 0.04 0.00 3.53 0.00 0.00 57.97 61.81 2k9a h PHE 118 Cb 0.96 -0.13 -0.06 0.00 2.79 0.00 0.00 35.95 39.51 2k9a h PHE 118 CO 1.31 0.22 0.65 -0.07 -2.23 0.00 0.00 178.31 178.20 2k9a h LEU 119 N 0.40 1.08 -0.36 0.59 3.38 -1.98 -1.72 115.31 116.72 2k9a h LEU 119 Ca 0.19 -0.01 -0.17 0.00 0.09 0.00 0.00 57.88 57.98 2k9a h LEU 119 Cb 0.23 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.71 2k9a h LEU 119 CO -0.05 0.74 -0.81 0.00 0.09 0.00 0.00 178.44 178.42 2k9a h ALA 120 N 1.42 0.65 0.41 1.53 0.00 -1.69 -2.58 119.26 118.99 2k9a h ALA 120 Ca 0.40 -0.73 -0.02 0.00 0.00 0.00 0.00 54.91 54.55 2k9a h ALA 120 Cb 0.01 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.67 2k9a h ALA 120 CO -0.12 1.01 -0.19 0.35 0.00 0.00 0.00 179.25 180.29 2k9a h PHE 121 N 0.00 -0.51 -0.34 0.00 3.57 -0.82 0.13 116.94 118.98 2k9a h PHE 121 Ca -0.01 -0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.45 2k9a h PHE 121 Cb 1.45 0.17 -0.01 0.00 2.79 0.00 0.00 35.95 40.34 2k9a h PHE 121 CO 0.00 -0.21 0.10 -0.22 -2.23 0.00 0.00 178.31 175.75 2k9a h LYS 122 N -0.75 0.53 0.00 1.11 3.64 -1.45 -2.38 116.57 117.27 2k9a h LYS 122 Ca -0.06 -0.12 -0.02 0.00 -1.27 0.00 0.00 60.65 59.18 2k9a h LYS 122 Cb 0.52 -0.07 -0.00 0.00 -0.41 0.00 0.00 32.23 32.26 2k9a h LYS 122 CO 0.09 0.57 -0.10 1.49 -2.27 0.00 0.00 179.45 179.23 2k9a h GLU 123 N 0.40 0.00 -0.14 1.90 4.57 -1.47 -1.40 114.58 118.44 2k9a h GLU 123 Ca 0.11 0.00 -0.01 0.00 -1.18 0.00 0.00 59.36 58.27 2k9a h GLU 123 Cb 0.27 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 28.85 2k9a h GLU 123 CO -0.00 0.10 0.03 1.98 -1.18 0.00 0.00 179.01 179.94 2k9a h MET 124 N 0.00 0.22 -0.18 1.92 4.05 -0.21 -1.37 114.93 119.36 2k9a h MET 124 Ca -0.00 -0.06 -0.06 0.00 -0.28 0.00 0.00 59.70 59.30 2k9a h MET 124 Cb 0.20 -0.03 -0.00 0.00 -0.80 0.00 0.00 31.60 30.97 2k9a h MET 124 CO 0.01 0.40 -0.13 0.74 0.23 0.00 0.00 176.91 178.16 2k9a h PHE 125 N 0.01 0.48 -0.25 1.39 0.04 -1.23 -1.78 116.94 115.61 2k9a h PHE 125 Ca 0.04 -0.13 0.04 0.00 2.80 0.00 0.00 57.97 60.72 2k9a h PHE 125 Cb 0.28 -0.11 -0.04 0.00 2.20 0.00 0.00 35.95 38.28 2k9a h PHE 125 CO 0.01 0.75 -0.01 -0.07 -0.60 0.00 0.00 178.31 178.39 2k9a h LEU 126 N 0.07 -0.11 -0.44 1.54 4.07 -1.28 -0.43 115.31 118.75 2k9a h LEU 126 Ca 0.03 0.06 -0.02 0.00 0.08 0.00 0.00 57.88 58.03 2k9a h LEU 126 Cb 0.65 0.10 -0.02 0.00 1.08 0.00 0.00 40.66 42.47 2k9a h LEU 126 CO 0.04 -0.02 0.18 -0.78 -1.08 0.00 0.00 178.44 176.77 2k9a h ASP 127 N 0.07 0.60 -0.77 -0.43 3.58 -1.28 -1.92 116.42 116.27 2k9a h ASP 127 Ca 0.12 -0.16 0.08 0.00 0.42 0.00 0.00 57.03 57.49 2k9a h ASP 127 Cb 0.15 -0.16 -0.05 0.00 1.72 0.00 0.00 39.33 41.00 2k9a h ASP 127 CO -0.20 0.60 0.50 0.22 -2.88 0.00 0.00 179.24 177.48 2k9a h TYR 128 N 0.56 0.78 -0.25 0.28 3.20 -0.85 -1.13 116.97 119.56 2k9a h TYR 128 Ca 0.15 0.02 -0.17 0.00 3.14 0.00 0.00 58.73 61.87 2k9a h TYR 128 Cb 0.18 -0.25 -0.00 0.00 1.54 0.00 0.00 36.73 38.19 2k9a h TYR 128 CO -0.00 0.38 -0.53 -0.09 -1.64 0.00 0.00 178.16 176.28 2k9a h ARG 129 N 0.74 0.72 -0.17 1.82 2.43 -0.67 -3.02 114.38 116.23 2k9a h ARG 129 Ca 0.35 -0.45 -0.01 0.00 -0.81 0.00 0.00 59.98 59.06 2k9a h ARG 129 Cb 0.38 0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 29.96 2k9a h ARG 129 CO -0.13 1.07 0.05 0.00 -1.51 0.00 0.00 179.97 179.46 2k9a h ALA 130 N 0.84 1.78 0.00 2.80 0.00 -0.44 -1.24 119.26 123.00 2k9a h ALA 130 Ca 0.02 -0.06 -0.07 0.00 0.00 0.00 0.00 54.91 54.79 2k9a h ALA 130 Cb 1.10 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.81 2k9a h ALA 130 CO 0.11 0.18 -0.33 0.93 0.00 0.00 0.00 179.25 180.14 2k9a h GLU 131 N 0.24 0.00 0.00 0.00 4.39 -1.29 -2.64 114.58 115.28 2k9a h GLU 131 Ca 0.06 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.76 2k9a h GLU 131 Cb 0.08 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.73 2k9a h GLU 131 CO -0.00 0.33 0.00 0.87 -1.16 0.00 0.00 179.01 179.05 2k9a h LYS 132 N 0.00 0.00 0.00 2.33 1.79 -1.22 -2.03 116.57 117.44 2k9a h LYS 132 Ca -0.00 0.00 -0.10 0.00 -2.18 0.00 0.00 60.65 58.36 2k9a h LYS 132 Cb 0.76 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.40 2k9a h LYS 132 CO 0.04 0.00 -0.49 0.93 -1.08 0.00 0.00 179.45 178.85 2k9a h GLU 133 N 0.00 0.00 -0.93 3.15 5.08 -1.54 -3.47 114.58 116.88 2k9a h GLU 133 Ca 0.00 0.00 -0.14 0.00 -1.00 0.00 0.00 59.36 58.22 2k9a h GLU 133 Cb 0.28 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.51 2k9a h GLU 133 CO 0.00 0.49 -0.18 0.41 -1.00 0.00 0.00 179.01 178.74 2k9a n GLY 134 N 0.50 0.20 0.00 -3.84 0.00 -0.76 -4.89 105.19 96.40 2k9a n GLY 134 Ca -0.00 -0.61 0.00 0.00 0.00 0.00 0.00 46.02 45.41 2k9a n GLY 134 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2k9a n ARG 135 N -1.86 -0.30 0.00 1.61 1.74 -1.26 -5.16 116.66 111.43 2k9a n ARG 135 Ca -0.08 -0.21 0.16 0.00 -0.77 0.00 0.00 57.85 56.94 2k9a n ARG 135 Cb 0.52 -0.70 0.85 0.00 -1.02 0.00 0.00 32.46 32.11 2k9a n ARG 135 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52