#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 -3.76 0.00 7.83 2.03 -1.26 -5.00 116.55 116.39 2k9a n ASP 2 Ca 0.00 1.36 0.00 0.00 0.52 0.00 0.00 54.79 56.67 2k9a n ASP 2 Cb 0.00 -5.10 0.00 0.00 -0.72 0.00 0.00 41.12 35.30 2k9a n ASP 2 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2k9a n ALA 3 N 1.34 0.12 0.00 -1.67 0.00 -1.26 -4.86 120.51 114.18 2k9a n ALA 3 Ca -0.24 -0.03 0.00 0.00 0.00 0.00 0.00 53.44 53.18 2k9a n ALA 3 Cb 0.38 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 19.83 2k9a n ALA 3 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.50 178.97 2k9a n LEU 4 N 0.00 0.00 0.07 0.00 -0.00 -1.26 -4.63 117.00 111.17 2k9a n LEU 4 Ca 0.00 -0.05 0.11 0.00 -0.00 0.00 0.00 56.01 56.07 2k9a n LEU 4 Cb 0.28 0.00 0.01 0.00 -0.00 0.00 0.00 43.42 43.71 2k9a n LEU 4 CO 0.00 0.00 -0.02 1.21 -0.00 0.00 0.00 177.39 178.58 2k9a n GLU 5 N -1.45 0.49 -2.44 1.47 4.07 -1.26 -4.94 120.64 116.58 2k9a n GLU 5 Ca -0.00 0.05 -0.25 0.00 -0.06 0.00 0.00 57.16 56.90 2k9a n GLU 5 Cb 0.00 -1.72 0.15 0.00 -0.06 0.00 0.00 31.44 29.81 2k9a n GLU 5 CO 0.00 0.00 0.00 0.20 -0.06 0.00 0.00 177.13 177.27 2k9a s GLY 6 N -4.12 1.77 0.46 8.31 0.00 -1.26 -5.11 107.32 107.37 2k9a s GLY 6 Ca 0.01 -1.74 -0.05 0.00 0.00 0.00 0.00 44.72 42.94 2k9a s GLY 6 CO 0.80 -1.05 0.63 1.18 0.00 0.00 0.00 173.10 174.66 2k9a n GLU 7 N -3.17 -0.26 0.04 2.90 -0.58 -1.26 -5.02 120.64 113.29 2k9a n GLU 7 Ca 0.17 -1.28 0.00 0.00 -0.42 0.00 0.00 57.16 55.63 2k9a n GLU 7 Cb 0.60 -0.56 0.00 0.00 -0.57 0.00 0.00 31.44 30.92 2k9a n GLU 7 CO 0.00 0.00 0.00 0.43 -0.48 0.00 0.00 177.13 177.08 2k9a n SER 8 N -3.22 0.17 0.00 1.62 7.64 -1.26 -5.03 113.62 113.54 2k9a n SER 8 Ca 0.09 0.13 0.00 0.00 1.01 0.00 0.00 58.87 60.10 2k9a n SER 8 Cb 0.31 0.03 0.00 0.00 -1.01 0.00 0.00 64.21 63.54 2k9a n SER 8 CO 0.00 0.00 0.00 0.49 -3.01 0.00 0.00 175.04 172.52 2k9a n PHE 9 N -2.90 0.00 -4.19 1.43 3.72 -1.26 -4.59 117.46 109.67 2k9a n PHE 9 Ca 0.00 0.00 -0.27 0.00 -0.05 0.00 0.00 57.45 57.13 2k9a n PHE 9 Cb 0.00 0.00 -0.08 0.00 -0.94 0.00 0.00 39.48 38.46 2k9a n PHE 9 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2k9a s ALA 10 N -1.00 3.23 -0.24 4.37 0.00 -1.26 -5.07 121.76 121.80 2k9a s ALA 10 Ca 0.00 -1.35 -0.29 0.00 0.00 0.00 0.00 51.96 50.32 2k9a s ALA 10 Cb 0.00 -1.03 -0.02 0.00 0.00 0.00 0.00 23.12 22.07 2k9a s ALA 10 CO 0.00 0.49 1.61 -1.17 0.00 0.00 0.00 175.76 176.69 2k9a s LEU 11 N -2.94 3.85 0.15 0.00 1.98 -1.26 -5.00 118.68 115.46 2k9a s LEU 11 Ca 0.28 1.55 0.06 0.00 -2.89 0.00 0.00 54.13 53.13 2k9a s LEU 11 Cb -0.09 -3.53 -0.04 0.00 0.66 0.00 0.00 46.19 43.18 2k9a s LEU 11 CO 0.19 -1.29 0.01 -0.44 -1.89 0.00 0.00 176.35 172.93 2k9a s SER 12 N 4.31 4.91 -0.05 3.68 0.01 -1.26 -4.93 113.70 120.37 2k9a s SER 12 Ca 0.71 -0.31 -0.04 0.00 1.31 0.00 0.00 55.95 57.62 2k9a s SER 12 Cb -0.24 -1.11 0.02 0.00 0.21 0.00 0.00 66.02 64.90 2k9a s SER 12 CO 0.29 0.11 0.09 0.33 0.41 0.00 0.00 173.24 174.47 2k9a n PHE 13 N 0.05 -4.63 -3.63 2.43 7.35 -1.26 -4.96 117.46 112.80 2k9a n PHE 13 Ca -0.10 2.73 -0.39 0.00 -0.76 0.00 0.00 57.45 58.93 2k9a n PHE 13 Cb 0.54 -3.84 -0.11 0.00 0.35 0.00 0.00 39.48 36.42 2k9a n PHE 13 CO 0.00 0.00 0.00 0.45 -0.76 0.00 0.00 176.76 176.45 2k9a s SER 14 N -0.61 5.63 0.00 -2.13 0.15 -1.26 -4.88 113.70 110.60 2k9a s SER 14 Ca -0.10 -0.59 0.00 0.00 0.70 0.00 0.00 55.95 55.96 2k9a s SER 14 Cb 0.01 -2.02 0.00 0.00 -1.71 0.00 0.00 66.02 62.30 2k9a s SER 14 CO 0.28 -0.23 0.00 -0.24 1.20 0.00 0.00 173.24 174.25 2k9a n SER 15 N 5.00 3.44 0.13 5.45 2.88 -1.26 -4.37 113.62 124.89 2k9a n SER 15 Ca -0.13 0.00 -0.00 0.00 -1.33 0.00 0.00 58.87 57.40 2k9a n SER 15 Cb 0.49 0.14 0.12 0.00 -0.75 0.00 0.00 64.21 64.21 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 0.77 -0.05 -1.46 0.00 -1.95 -0.58 119.26 115.99 2k9a h ALA 16 Ca 0.00 -0.57 0.00 0.00 0.00 0.00 0.00 54.91 54.34 2k9a h ALA 16 Cb 0.79 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.48 2k9a h ALA 16 CO 0.00 0.78 0.00 0.45 0.00 0.00 0.00 179.25 180.48 2k9a n SER 17 N -3.51 2.91 -4.97 0.00 2.88 -1.26 -4.61 113.62 105.06 2k9a n SER 17 Ca -0.00 -1.94 -0.22 0.00 -1.33 0.00 0.00 58.87 55.38 2k9a n SER 17 Cb 0.69 -0.02 0.02 0.00 -0.75 0.00 0.00 64.21 64.16 2k9a n SER 17 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 2k9a s ASP 18 N -1.85 4.98 0.62 -3.46 2.15 -1.17 -4.99 116.67 112.95 2k9a s ASP 18 Ca 0.27 -0.94 0.32 0.00 0.43 0.00 0.00 52.55 52.64 2k9a s ASP 18 Cb 0.19 0.16 1.84 0.00 -0.30 0.00 0.00 42.92 44.82 2k9a s ASP 18 CO 0.28 -1.14 2.15 0.00 -0.17 0.00 0.00 175.17 176.30 2k9a h ALA 19 N 0.51 1.53 -0.62 3.66 0.00 -1.91 -1.99 119.26 120.44 2k9a h ALA 19 Ca -0.34 -0.00 0.06 0.00 0.00 0.00 0.00 54.91 54.63 2k9a h ALA 19 Cb 1.29 0.01 -0.06 0.00 0.00 0.00 0.00 17.79 19.03 2k9a h ALA 19 CO 0.49 -0.20 0.32 1.49 0.00 0.00 0.00 179.25 181.35 2k9a h GLU 20 N 0.00 0.58 -0.59 0.00 4.22 -1.92 -1.98 114.58 114.89 2k9a h GLU 20 Ca 0.04 -0.04 0.11 0.00 0.08 0.00 0.00 59.36 59.56 2k9a h GLU 20 Cb 0.35 -0.13 -0.08 0.00 0.50 0.00 0.00 28.75 29.38 2k9a h GLU 20 CO -0.00 0.39 0.15 0.35 -2.18 0.00 0.00 179.01 177.72 2k9a h PHE 21 N 0.60 0.25 -0.99 0.92 3.57 -0.30 -0.22 116.94 120.77 2k9a h PHE 21 Ca 0.28 0.03 0.04 0.00 3.53 0.00 0.00 57.97 61.86 2k9a h PHE 21 Cb 0.21 -0.02 -0.06 0.00 2.79 0.00 0.00 35.95 38.87 2k9a h PHE 21 CO -0.10 0.00 0.65 -0.44 -2.23 0.00 0.00 178.31 176.19 2k9a h ASP 22 N 0.29 1.07 -0.86 0.41 5.19 -1.50 -1.79 116.42 119.22 2k9a h ASP 22 Ca 0.31 -0.01 -0.01 0.00 -0.62 0.00 0.00 57.03 56.70 2k9a h ASP 22 Cb 0.44 -0.24 -0.04 0.00 0.18 0.00 0.00 39.33 39.67 2k9a h ASP 22 CO -0.37 0.73 0.49 0.00 -3.12 0.00 0.00 179.24 176.97 2k9a h ALA 23 N 1.41 1.10 -0.52 3.45 0.00 -0.67 -2.47 119.26 121.56 2k9a h ALA 23 Ca 0.40 -0.11 0.01 0.00 0.00 0.00 0.00 54.91 55.21 2k9a h ALA 23 Cb 0.02 -0.35 -0.03 0.00 0.00 0.00 0.00 17.79 17.44 2k9a h ALA 23 CO -0.13 0.59 0.34 0.28 0.00 0.00 0.00 179.25 180.32 2k9a h VAL 24 N 1.19 1.11 -0.81 0.00 2.07 -0.45 -2.13 116.25 117.23 2k9a h VAL 24 Ca 0.31 -0.23 0.01 0.00 0.82 0.00 0.00 66.70 67.61 2k9a h VAL 24 Cb -0.01 0.37 -0.04 0.00 -1.52 0.00 0.00 31.29 30.09 2k9a h VAL 24 CO -0.05 0.12 0.53 0.58 0.02 0.00 0.00 177.57 178.77 2k9a h VAL 25 N 0.68 1.19 0.13 2.57 2.07 -1.11 -2.16 116.25 119.62 2k9a h VAL 25 Ca 0.20 -0.37 -0.01 0.00 0.82 0.00 0.00 66.70 67.34 2k9a h VAL 25 Cb -0.05 0.02 0.00 0.00 -1.52 0.00 0.00 31.29 29.74 2k9a h VAL 25 CO -0.06 0.20 -0.06 1.23 0.02 0.00 0.00 177.57 178.90 2k9a h GLY 26 N 1.08 -0.18 1.27 2.17 0.00 -0.96 -2.36 103.07 104.08 2k9a h GLY 26 Ca 0.30 0.07 0.05 0.00 0.00 0.00 0.00 47.33 47.74 2k9a h GLY 26 CO -0.07 -0.07 0.38 -0.97 0.00 0.00 0.00 176.54 175.81 2k9a h TYR 27 N -0.26 0.59 -0.25 5.60 0.05 -1.20 -2.12 116.97 119.39 2k9a h TYR 27 Ca -0.02 0.01 -0.01 0.00 0.05 0.00 0.00 58.73 58.77 2k9a h TYR 27 Cb 0.21 -0.20 -0.01 0.00 1.01 0.00 0.00 36.73 37.74 2k9a h TYR 27 CO -0.04 0.33 0.13 -0.07 -1.05 0.00 0.00 178.16 177.46 2k9a h LEU 28 N 0.60 0.31 -0.98 3.88 3.38 -1.06 -2.36 115.31 119.08 2k9a h LEU 28 Ca 0.24 -0.09 0.04 0.00 0.09 0.00 0.00 57.88 58.16 2k9a h LEU 28 Cb 0.19 -0.08 -0.06 0.00 0.09 0.00 0.00 40.66 40.80 2k9a h LEU 28 CO -0.07 0.31 0.64 -0.33 0.09 0.00 0.00 178.44 179.08 2k9a h GLU 29 N 0.28 1.18 -0.25 1.13 5.08 -0.88 -0.33 114.58 120.80 2k9a h GLU 29 Ca 0.09 -0.07 -0.04 0.00 -1.00 0.00 0.00 59.36 58.34 2k9a h GLU 29 Cb 0.07 -0.27 -0.01 0.00 0.50 0.00 0.00 28.75 29.04 2k9a h GLU 29 CO -0.01 0.78 -0.01 -0.44 -1.00 0.00 0.00 179.01 178.33 2k9a h ASP 30 N 1.21 0.34 0.21 1.42 3.32 -1.16 -1.92 116.42 119.84 2k9a h ASP 30 Ca 0.40 -0.05 -0.30 0.00 0.02 0.00 0.00 57.03 57.10 2k9a h ASP 30 Cb 0.04 -0.09 0.03 0.00 0.22 0.00 0.00 39.33 39.53 2k9a h ASP 30 CO -0.14 0.41 -1.26 0.40 -1.72 0.00 0.00 179.24 176.93 2k9a h ILE 31 N 0.36 1.31 -0.06 0.35 2.04 -0.74 -2.85 117.51 117.92 2k9a h ILE 31 Ca 0.08 -2.54 -0.06 0.00 1.00 0.00 0.00 64.86 63.34 2k9a h ILE 31 Cb 0.25 2.74 -0.01 0.00 -0.74 0.00 0.00 36.82 39.06 2k9a h ILE 31 CO 0.01 0.77 -0.25 0.40 0.00 0.00 0.00 178.15 179.08 2k9a h ILE 32 N 0.24 1.21 -0.43 -0.67 2.04 -0.83 -2.10 117.51 116.97 2k9a h ILE 32 Ca -0.19 -0.97 0.00 0.00 1.00 0.00 0.00 64.86 64.71 2k9a h ILE 32 Cb 1.93 1.44 0.00 0.00 -0.74 0.00 0.00 36.82 39.45 2k9a h ILE 32 CO 0.24 0.28 0.00 0.23 0.00 0.00 0.00 178.15 178.90 2k9a n MET 33 N -4.21 2.29 -2.48 2.37 2.81 -0.74 -4.76 117.12 112.41 2k9a n MET 33 Ca -0.02 -1.97 -0.41 0.00 -1.81 0.00 0.00 57.70 53.49 2k9a n MET 33 Cb 0.33 -1.47 -0.04 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 -1.29 7.21 0.11 7.83 -1.08 -0.79 -4.96 116.67 123.71 2k9a s ASP 34 Ca 0.38 2.12 -0.21 0.00 -0.52 0.00 0.00 52.55 54.32 2k9a s ASP 34 Cb 0.21 -2.60 -0.09 0.00 -1.46 0.00 0.00 42.92 38.98 2k9a s ASP 34 CO 0.28 -0.27 1.73 0.44 0.52 0.00 0.00 175.17 177.87 2k9a h ASP 35 N 5.19 -0.06 -0.02 -0.34 3.32 -1.91 -1.42 116.42 121.18 2k9a h ASP 35 Ca -0.44 0.03 0.00 0.00 0.02 0.00 0.00 57.03 56.64 2k9a h ASP 35 Cb 1.21 0.05 -0.00 0.00 0.22 0.00 0.00 39.33 40.81 2k9a h ASP 35 CO 0.73 -0.01 0.02 -0.08 -1.72 0.00 0.00 179.24 178.18 2k9a h GLU 36 N 0.03 0.00 -0.07 3.56 4.57 -1.94 -1.73 114.58 118.99 2k9a h GLU 36 Ca 0.05 0.00 -0.14 0.00 -1.18 0.00 0.00 59.36 58.09 2k9a h GLU 36 Cb 0.06 0.00 0.01 0.00 -0.16 0.00 0.00 28.75 28.66 2k9a h GLU 36 CO -0.09 0.00 -0.52 0.35 -1.18 0.00 0.00 179.01 177.57 2k9a h PHE 37 N 0.00 0.66 -0.43 0.92 3.57 -1.55 -2.06 116.94 118.06 2k9a h PHE 37 Ca 0.01 -0.31 -0.08 0.00 3.53 0.00 0.00 57.97 61.12 2k9a h PHE 37 Cb 0.05 -0.09 -0.02 0.00 2.79 0.00 0.00 35.95 38.67 2k9a h PHE 37 CO 0.00 1.09 -0.07 1.96 -2.23 0.00 0.00 178.31 179.06 2k9a h GLN 38 N 0.03 0.74 0.12 1.11 4.20 -0.70 -1.12 115.11 119.48 2k9a h GLN 38 Ca -0.05 -0.22 -0.01 0.00 0.06 0.00 0.00 58.65 58.44 2k9a h GLN 38 Cb 1.18 -0.07 0.00 0.00 0.30 0.00 0.00 27.48 28.89 2k9a h GLN 38 CO 0.11 0.80 -0.06 1.25 -0.67 0.00 0.00 178.83 180.26 2k9a h LEU 39 N 0.68 -0.13 0.02 1.46 5.85 -1.38 -1.81 115.31 120.00 2k9a h LEU 39 Ca 0.12 -0.35 0.00 0.00 0.84 0.00 0.00 57.88 58.50 2k9a h LEU 39 Cb 0.52 0.03 -0.01 0.00 0.37 0.00 0.00 40.66 41.58 2k9a h LEU 39 CO 0.03 0.30 -0.03 0.25 -0.34 0.00 0.00 178.44 178.65 2k9a h LEU 40 N -0.60 -0.09 -0.28 2.25 6.46 -1.34 0.47 115.31 122.18 2k9a h LEU 40 Ca -0.02 0.01 0.02 0.00 -0.12 0.00 0.00 57.88 57.78 2k9a h LEU 40 Cb 0.47 0.04 -0.03 0.00 -0.73 0.00 0.00 40.66 40.41 2k9a h LEU 40 CO 0.03 -0.05 0.12 -0.61 -0.62 0.00 0.00 178.44 177.30 2k9a h GLN 41 N -0.07 0.25 -0.26 1.25 4.15 -1.28 -1.74 115.11 117.41 2k9a h GLN 41 Ca 0.01 -0.02 -0.08 0.00 0.77 0.00 0.00 58.65 59.34 2k9a h GLN 41 Cb 0.08 -0.06 -0.01 0.00 0.21 0.00 0.00 27.48 27.70 2k9a h GLN 41 CO -0.02 0.17 -0.17 -0.09 -1.93 0.00 0.00 178.83 176.79 2k9a h ARG 42 N 0.26 0.45 -0.20 1.69 2.43 -1.19 -0.66 114.38 117.17 2k9a h ARG 42 Ca 0.12 -0.14 -0.02 0.00 -0.81 0.00 0.00 59.98 59.13 2k9a h ARG 42 Cb 0.06 -0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 29.56 2k9a h ARG 42 CO -0.10 0.61 0.04 -0.91 -1.51 0.00 0.00 179.97 178.10 2k9a h ASN 43 N 0.42 0.31 -0.05 -3.80 4.21 -0.39 -1.77 115.58 114.51 2k9a h ASN 43 Ca 0.07 -0.24 -0.07 0.00 1.21 0.00 0.00 56.30 57.28 2k9a h ASN 43 Cb 0.53 -0.08 0.00 0.00 -1.12 0.00 0.00 38.32 37.65 2k9a h ASN 43 CO 0.03 0.47 -0.22 -0.26 -1.29 0.00 0.00 177.43 176.16 2k9a h PHE 44 N 0.14 0.33 -0.11 1.19 -1.00 -1.24 -3.15 116.94 113.10 2k9a h PHE 44 Ca 0.06 -0.14 0.03 0.00 2.81 0.00 0.00 57.97 60.73 2k9a h PHE 44 Cb 0.28 -0.05 -0.00 0.00 3.61 0.00 0.00 35.95 39.79 2k9a h PHE 44 CO 0.01 0.85 0.12 0.52 -1.61 0.00 0.00 178.31 178.21 2k9a h MET 45 N -0.29 0.00 -0.23 1.51 2.86 -1.16 -0.42 114.93 117.20 2k9a h MET 45 Ca -0.01 0.00 0.05 0.00 -2.06 0.00 0.00 59.70 57.67 2k9a h MET 45 Cb 0.87 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.52 2k9a h MET 45 CO 0.05 0.00 0.16 0.22 1.06 0.00 0.00 176.91 178.40 2k9a h ASP 46 N 0.00 0.09 0.04 1.22 3.58 -1.26 -1.16 116.42 118.93 2k9a h ASP 46 Ca 0.05 -0.00 -0.38 0.00 0.42 0.00 0.00 57.03 57.12 2k9a h ASP 46 Cb 0.30 -0.02 -0.05 0.00 1.72 0.00 0.00 39.33 41.27 2k9a h ASP 46 CO -0.00 0.06 -2.33 0.29 -2.88 0.00 0.00 179.24 174.38 2k9a n LYS 47 N -4.49 0.69 -0.06 0.28 4.76 -0.24 -4.25 118.16 114.84 2k9a n LYS 47 Ca 0.02 0.19 -0.08 0.00 -2.87 0.00 0.00 58.31 55.57 2k9a n LYS 47 Cb 0.24 -1.58 -0.01 0.00 -1.84 0.00 0.00 35.03 31.83 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 -0.03 0.00 2.13 -1.99 -1.14 -1.04 116.97 114.92 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 1.94 0.05 -0.00 0.00 2.00 0.00 0.00 36.73 40.72 2k9a h TYR 48 CO 0.05 -0.05 -0.01 0.10 -0.00 0.00 0.00 178.16 178.24 2k9a h TYR 49 N 0.06 0.00 -0.03 4.88 -0.00 -1.44 -2.17 116.97 118.28 2k9a h TYR 49 Ca 0.12 0.00 -0.15 0.00 -0.00 0.00 0.00 58.73 58.70 2k9a h TYR 49 Cb 0.16 0.00 0.01 0.00 -0.00 0.00 0.00 36.73 36.90 2k9a h TYR 49 CO -0.21 0.01 -0.56 -0.07 -0.00 0.00 0.00 178.16 177.34 2k9a h LEU 50 N 0.00 0.54 -0.60 0.10 3.38 -1.38 -3.29 115.31 114.07 2k9a h LEU 50 Ca -0.00 -0.72 -0.10 0.00 0.09 0.00 0.00 57.88 57.15 2k9a h LEU 50 Cb 0.09 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.66 2k9a h LEU 50 CO 0.00 1.19 -0.02 -0.33 0.09 0.00 0.00 178.44 179.37 2k9a h GLU 51 N -0.05 1.06 -5.85 1.13 4.39 -1.03 -3.38 114.58 110.85 2k9a h GLU 51 Ca -0.06 -0.35 -0.41 0.00 0.34 0.00 0.00 59.36 58.88 2k9a h GLU 51 Cb 1.25 -0.09 -0.07 0.00 -0.10 0.00 0.00 28.75 29.74 2k9a h GLU 51 CO 0.11 1.05 1.06 -0.06 -1.16 0.00 0.00 179.01 180.01 2k9a s PHE 52 N -5.00 2.10 0.15 4.33 0.40 -0.89 -4.96 117.98 114.11 2k9a s PHE 52 Ca -0.12 0.04 -0.03 0.00 -0.60 0.00 0.00 56.93 56.22 2k9a s PHE 52 Cb 0.13 -4.30 -0.05 0.00 0.51 0.00 0.00 43.02 39.32 2k9a s PHE 52 CO 0.86 -1.80 0.35 -1.21 0.70 0.00 0.00 175.22 174.12 2k9a s GLU 53 N 6.19 3.55 -0.83 0.44 0.41 -1.26 -4.81 118.70 122.38 2k9a s GLU 53 Ca 0.61 -0.23 -0.25 0.00 -0.41 0.00 0.00 54.97 54.68 2k9a s GLU 53 Cb -0.04 -2.88 0.02 0.00 -1.78 0.00 0.00 34.13 29.45 2k9a s GLU 53 CO -0.03 0.47 1.51 0.34 -0.49 0.00 0.00 175.26 177.05 2k9a s ASP 54 N -2.69 6.01 0.22 -0.19 -1.08 -1.26 -4.93 116.67 112.74 2k9a s ASP 54 Ca 0.39 -0.69 -0.04 0.00 -0.52 0.00 0.00 52.55 51.69 2k9a s ASP 54 Cb -0.12 -2.56 -0.03 0.00 -1.46 0.00 0.00 42.92 38.75 2k9a s ASP 54 CO 0.27 -1.92 0.23 0.42 0.52 0.00 0.00 175.17 174.69 2k9a s THR 55 N 6.53 0.00 -0.28 1.71 -4.23 -1.26 -5.05 115.64 113.06 2k9a s THR 55 Ca 0.48 -1.83 0.22 0.00 -1.18 0.00 0.00 61.69 59.38 2k9a s THR 55 Cb -0.06 -2.42 -0.22 0.00 1.34 0.00 0.00 72.50 71.14 2k9a s THR 55 CO 0.06 0.00 0.73 -0.62 -0.54 0.00 0.00 174.62 174.25 2k9a n GLU 56 N -0.31 0.51 -3.47 3.99 1.02 -1.26 -4.87 120.64 116.24 2k9a n GLU 56 Ca 0.01 -0.08 -0.38 0.00 -0.02 0.00 0.00 57.16 56.69 2k9a n GLU 56 Cb 0.65 -1.59 -0.08 0.00 -0.02 0.00 0.00 31.44 30.39 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 -3.38 4.11 0.50 3.49 8.01 -1.26 -5.08 118.70 125.10 2k9a s GLU 57 Ca -0.03 0.03 -0.07 0.00 0.01 0.00 0.00 54.97 54.91 2k9a s GLU 57 Cb 0.13 -3.56 -0.04 0.00 -4.31 0.00 0.00 34.13 26.36 2k9a s GLU 57 CO 0.86 -0.05 0.84 0.54 0.01 0.00 0.00 175.26 177.46 2k9a s ASN 58 N 1.15 6.28 0.26 -0.19 4.22 -1.26 -5.10 114.94 120.30 2k9a s ASN 58 Ca 0.15 1.06 0.08 0.00 -2.14 0.00 0.00 52.86 52.00 2k9a s ASN 58 Cb -0.15 -2.30 -0.05 0.00 1.28 0.00 0.00 41.25 40.03 2k9a s ASN 58 CO 0.07 -0.62 -0.11 -0.54 -2.04 0.00 0.00 177.10 173.86 2k9a s LYS 59 N -4.75 1.51 0.09 3.55 1.02 -1.26 -5.03 119.74 114.88 2k9a s LYS 59 Ca 0.49 -1.73 0.28 0.00 0.02 0.00 0.00 55.97 55.03 2k9a s LYS 59 Cb -0.10 -1.26 1.05 0.00 -0.52 0.00 0.00 37.83 37.00 2k9a s LYS 59 CO 0.45 0.13 1.86 -0.11 -0.92 0.00 0.00 175.35 176.76 2k9a n LEU 60 N -0.53 0.35 0.24 3.17 7.94 -1.26 -3.32 117.00 123.58 2k9a n LEU 60 Ca -0.06 0.53 0.16 0.00 -1.11 0.00 0.00 56.01 55.53 2k9a n LEU 60 Cb 0.62 -0.42 0.70 0.00 0.53 0.00 0.00 43.42 44.85 2k9a n LEU 60 CO 0.38 -0.08 0.97 -0.29 -1.11 0.00 0.00 177.39 177.26 2k9a h ILE 61 N 0.00 0.00 0.00 1.96 6.09 -2.03 -2.41 117.51 121.12 2k9a h ILE 61 Ca 0.00 -0.31 0.00 0.00 -1.37 0.00 0.00 64.86 63.18 2k9a h ILE 61 Cb 0.60 1.19 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 0.10 2.19 0.05 -1.99 -2.85 116.97 114.47 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 0.35 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.09 2k9a h TYR 62 CO 0.00 0.00 -0.05 1.15 -1.05 0.00 0.00 178.16 178.21 2k9a h THR 63 N 0.00 1.11 -0.52 -2.88 2.02 -1.68 -2.51 112.91 108.46 2k9a h THR 63 Ca 0.00 -1.28 -0.09 0.00 0.77 0.00 0.00 66.41 65.81 2k9a h THR 63 Cb 0.55 1.87 -0.02 0.00 -1.74 0.00 0.00 68.15 68.81 2k9a h THR 63 CO 0.00 0.29 -0.02 1.55 0.37 0.00 0.00 175.52 177.71 2k9a h PRO 64 N -0.77 0.92 -0.75 6.66 0.13 -1.72 -2.65 132.00 133.83 2k9a h PRO 64 Ca -0.01 -0.31 -0.00 0.00 -0.87 0.00 0.00 66.00 64.81 2k9a h PRO 64 Cb 0.57 -0.08 -0.04 0.00 0.13 0.00 0.00 31.00 31.59 2k9a h PRO 64 CO 0.02 0.96 0.45 0.82 -0.23 0.00 0.00 178.00 180.02 2k9a h ILE 65 N 0.79 1.21 -0.43 -3.56 2.04 -1.62 -2.12 117.51 113.82 2k9a h ILE 65 Ca 0.14 -0.47 -0.01 0.00 1.00 0.00 0.00 64.86 65.53 2k9a h ILE 65 Cb 0.56 0.17 -0.02 0.00 -0.74 0.00 0.00 36.82 36.79 2k9a h ILE 65 CO 0.03 0.22 0.23 0.15 0.00 0.00 0.00 178.15 178.78 2k9a h PHE 66 N 1.02 0.59 0.00 1.37 3.57 -1.35 -2.13 116.94 120.01 2k9a h PHE 66 Ca 0.27 -0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.73 2k9a h PHE 66 Cb -0.04 -0.19 -0.00 0.00 2.79 0.00 0.00 35.95 38.51 2k9a h PHE 66 CO -0.01 0.45 -0.09 -0.91 -2.23 0.00 0.00 178.31 175.52 2k9a h ASN 67 N 0.56 0.00 -0.15 0.41 2.35 -1.17 -2.13 115.58 115.45 2k9a h ASN 67 Ca 0.15 0.00 -0.17 0.00 -0.55 0.00 0.00 56.30 55.73 2k9a h ASN 67 Cb 0.06 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.43 2k9a h ASN 67 CO -0.02 0.09 -0.53 -0.08 -1.65 0.00 0.00 177.43 175.24 2k9a h GLU 68 N 0.00 0.73 -0.55 0.81 4.81 -0.75 -1.78 114.58 117.86 2k9a h GLU 68 Ca -0.00 -0.45 -0.10 0.00 -0.13 0.00 0.00 59.36 58.67 2k9a h GLU 68 Cb 0.17 0.05 -0.02 0.00 0.63 0.00 0.00 28.75 29.58 2k9a h GLU 68 CO 0.01 1.08 -0.06 -0.92 -0.73 0.00 0.00 179.01 178.39 2k9a h TYR 69 N 0.57 1.09 0.00 0.92 3.20 -0.92 0.22 116.97 122.05 2k9a h TYR 69 Ca 0.02 -0.20 -0.13 0.00 3.14 0.00 0.00 58.73 61.55 2k9a h TYR 69 Cb 1.11 -0.28 -0.02 0.00 1.54 0.00 0.00 36.73 39.08 2k9a h TYR 69 CO 0.06 1.00 -0.63 0.82 -1.64 0.00 0.00 178.16 177.76 2k9a h ILE 70 N 0.89 1.36 0.08 1.81 1.08 -1.42 -0.47 117.51 120.84 2k9a h ILE 70 Ca 0.15 -2.24 -0.27 0.00 -0.39 0.00 0.00 64.86 62.10 2k9a h ILE 70 Cb 0.61 2.24 -0.02 0.00 -3.07 0.00 0.00 36.82 36.58 2k9a h ILE 70 CO 0.04 0.62 -1.36 -1.28 -0.69 0.00 0.00 178.15 175.48 2k9a h SER 71 N 0.00 0.26 0.00 1.72 0.87 -1.12 -3.06 113.55 112.21 2k9a h SER 71 Ca -0.01 -0.33 0.00 0.00 -1.23 0.00 0.00 61.79 60.23 2k9a h SER 71 Cb 1.19 -0.08 0.00 0.00 -0.44 0.00 0.00 62.40 63.07 2k9a h SER 71 CO 0.08 1.27 -0.41 0.25 -0.53 0.00 0.00 176.83 177.49 2k9a h LEU 72 N 0.04 0.00 0.33 2.23 7.12 -0.97 -3.36 115.31 120.70 2k9a h LEU 72 Ca -0.17 0.00 -0.02 0.00 0.13 0.00 0.00 57.88 57.83 2k9a h LEU 72 Cb 1.94 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 42.08 2k9a h LEU 72 CO 0.15 0.61 -0.16 0.58 -0.13 0.00 0.00 178.44 179.49 2k9a h VAL 73 N -0.82 0.22 -0.84 1.05 2.07 -1.28 -1.58 116.25 115.07 2k9a h VAL 73 Ca 0.00 -0.74 0.15 0.00 0.82 0.00 0.00 66.70 66.93 2k9a h VAL 73 Cb 0.41 0.36 -0.10 0.00 -1.52 0.00 0.00 31.29 30.44 2k9a h VAL 73 CO 0.00 0.05 0.41 -0.08 0.02 0.00 0.00 177.57 177.98 2k9a h GLU 74 N -1.07 0.57 0.00 1.57 4.22 -1.54 0.19 114.58 118.53 2k9a h GLU 74 Ca -0.05 -0.03 -0.09 0.00 0.08 0.00 0.00 59.36 59.27 2k9a h GLU 74 Cb 0.43 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.54 2k9a h GLU 74 CO 0.08 0.37 -0.45 0.87 -2.18 0.00 0.00 179.01 177.70 2k9a h LYS 75 N 0.58 0.00 0.05 1.92 1.57 -1.63 -2.76 116.57 116.31 2k9a h LYS 75 Ca 0.46 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.24 2k9a h LYS 75 Cb 0.67 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.98 2k9a h LYS 75 CO -0.38 0.45 -0.04 -0.92 -0.57 0.00 0.00 179.45 177.99 2k9a h TYR 76 N 0.00 -0.09 -0.21 -1.35 3.20 0.43 -0.59 116.97 118.35 2k9a h TYR 76 Ca -0.00 -0.00 -0.05 0.00 3.14 0.00 0.00 58.73 61.82 2k9a h TYR 76 Cb 0.98 0.04 -0.01 0.00 1.54 0.00 0.00 36.73 39.27 2k9a h TYR 76 CO 0.00 -0.06 -0.06 0.82 -1.64 0.00 0.00 178.16 177.22 2k9a h ILE 77 N -0.09 1.29 -0.14 1.81 2.04 -1.46 -2.79 117.51 118.17 2k9a h ILE 77 Ca -0.00 -1.05 0.04 0.00 1.00 0.00 0.00 64.86 64.84 2k9a h ILE 77 Cb 0.08 1.55 -0.04 0.00 -0.74 0.00 0.00 36.82 37.68 2k9a h ILE 77 CO -0.01 0.32 -0.09 -0.08 0.00 0.00 0.00 178.15 178.30 2k9a h GLU 78 N 0.13 -0.09 -0.13 2.37 4.81 -1.40 -1.97 114.58 118.29 2k9a h GLU 78 Ca 0.05 0.01 0.01 0.00 -0.13 0.00 0.00 59.36 59.30 2k9a h GLU 78 Cb 0.51 0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.90 2k9a h GLU 78 CO 0.02 -0.06 0.04 0.93 -0.73 0.00 0.00 179.01 179.21 2k9a h GLU 79 N -0.09 0.10 -0.30 1.92 5.08 -1.14 -1.30 114.58 118.85 2k9a h GLU 79 Ca 0.09 -0.01 0.05 0.00 -1.00 0.00 0.00 59.36 58.49 2k9a h GLU 79 Cb 0.22 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.43 2k9a h GLU 79 CO -0.20 0.07 0.21 1.96 -1.00 0.00 0.00 179.01 180.05 2k9a h GLN 80 N 0.10 0.16 0.15 2.33 1.08 -1.25 -1.87 115.11 115.81 2k9a h GLN 80 Ca 0.06 -0.01 -0.30 0.00 -1.45 0.00 0.00 58.65 56.95 2k9a h GLN 80 Cb 0.04 -0.04 0.02 0.00 -0.05 0.00 0.00 27.48 27.45 2k9a h GLN 80 CO -0.06 0.10 -1.29 -0.07 -0.95 0.00 0.00 178.83 176.56 2k9a h LEU 81 N 0.16 0.71 -1.57 1.46 3.38 -0.83 -3.26 115.31 115.37 2k9a h LEU 81 Ca 0.13 -0.70 -0.03 0.00 0.09 0.00 0.00 57.88 57.37 2k9a h LEU 81 Cb 0.33 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 40.85 2k9a h LEU 81 CO -0.02 1.53 -0.13 -0.07 0.09 0.00 0.00 178.44 179.84 2k9a h LEU 82 N 0.18 0.00 -2.22 1.67 -0.00 -0.52 -1.91 115.31 112.50 2k9a h LEU 82 Ca -0.18 0.00 0.01 0.00 -0.00 0.00 0.00 57.88 57.70 2k9a h LEU 82 Cb 1.98 0.00 -0.00 0.00 -0.00 0.00 0.00 40.66 42.64 2k9a h LEU 82 CO 0.23 0.13 0.26 1.56 -0.00 0.00 0.00 178.44 180.63 2k9a h GLN 83 N 0.00 0.00 0.00 1.13 1.08 -1.41 -2.41 115.11 113.50 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 0.52 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.95 2k9a h GLN 83 CO 0.02 0.00 -0.89 0.54 -0.95 0.00 0.00 178.83 177.55 2k9a n ARG 84 N -2.98 2.00 -3.85 1.46 1.74 -1.04 -4.93 116.66 109.06 2k9a n ARG 84 Ca -0.02 0.00 -0.30 0.00 -0.77 0.00 0.00 57.85 56.76 2k9a n ARG 84 Cb 0.32 -0.94 -0.14 0.00 -1.02 0.00 0.00 32.46 30.68 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 -1.83 2.11 0.02 0.55 1.01 -0.75 -4.94 121.20 117.37 2k9a s ILE 85 Ca 0.00 -3.03 0.32 0.00 0.00 0.00 0.00 60.65 57.94 2k9a s ILE 85 Cb 0.00 -2.47 0.38 0.00 0.01 0.00 0.00 42.46 40.38 2k9a s ILE 85 CO 0.00 -0.84 1.94 1.55 0.00 0.00 0.00 174.94 177.59 2k9a h PRO 86 N 6.56 0.00 -0.65 2.79 0.13 -1.86 -2.59 132.00 136.39 2k9a h PRO 86 Ca -0.05 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.08 2k9a h PRO 86 Cb 0.90 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.03 2k9a h PRO 86 CO 0.61 0.00 0.00 0.39 -0.23 0.00 0.00 178.00 178.77 2k9a n GLU 87 N -3.01 3.34 -2.48 0.86 4.71 -1.26 -4.95 120.64 117.85 2k9a n GLU 87 Ca 0.01 -2.18 -0.35 0.00 -0.01 0.00 0.00 57.16 54.63 2k9a n GLU 87 Cb 0.31 -1.86 -0.03 0.00 -1.01 0.00 0.00 31.44 28.85 2k9a n GLU 87 CO 0.00 0.00 0.00 0.12 0.09 0.00 0.00 177.13 177.34 2k9a s PHE 88 N -1.97 3.03 -0.32 -0.32 5.36 -0.98 -5.04 117.98 117.75 2k9a s PHE 88 Ca 0.38 1.59 -0.02 0.00 -0.96 0.00 0.00 56.93 57.92 2k9a s PHE 88 Cb 0.27 -3.14 0.11 0.00 -0.34 0.00 0.00 43.02 39.92 2k9a s PHE 88 CO 0.16 -0.92 0.15 1.21 -1.46 0.00 0.00 175.22 174.36 2k9a s ASN 89 N -1.76 3.45 0.31 6.13 2.47 -1.26 -5.00 114.94 119.28 2k9a s ASN 89 Ca 0.64 -1.67 0.01 0.00 0.42 0.00 0.00 52.86 52.26 2k9a s ASN 89 Cb -0.20 -0.48 0.54 0.00 -1.45 0.00 0.00 41.25 39.66 2k9a s ASN 89 CO 0.25 -0.39 1.93 -0.03 -3.72 0.00 0.00 177.10 175.14 2k9a h MET 90 N 7.87 0.99 -0.00 0.43 4.05 -1.98 -0.99 114.93 125.29 2k9a h MET 90 Ca -0.11 -0.06 0.02 0.00 -0.28 0.00 0.00 59.70 59.27 2k9a h MET 90 Cb 0.99 -0.22 -0.02 0.00 -0.80 0.00 0.00 31.60 31.55 2k9a h MET 90 CO 0.40 0.65 -0.10 0.00 0.23 0.00 0.00 176.91 178.08 2k9a h ALA 91 N 1.52 -0.12 0.00 0.39 0.00 -2.00 -0.67 119.26 118.38 2k9a h ALA 91 Ca 0.36 0.01 -0.08 0.00 0.00 0.00 0.00 54.91 55.20 2k9a h ALA 91 Cb 0.14 0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 2k9a h ALA 91 CO -0.12 -0.60 -0.39 0.00 0.00 0.00 0.00 179.25 178.14 2k9a h ALA 92 N 0.79 1.04 -0.19 0.00 0.00 -1.93 -2.78 119.26 116.20 2k9a h ALA 92 Ca 0.04 -0.35 -0.06 0.00 0.00 0.00 0.00 54.91 54.54 2k9a h ALA 92 Cb 0.23 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 17.95 2k9a h ALA 92 CO -0.11 0.49 -0.12 0.35 0.00 0.00 0.00 179.25 179.86 2k9a h PHE 93 N 0.00 0.47 -0.03 0.00 3.57 -0.63 -2.61 116.94 117.71 2k9a h PHE 93 Ca -0.00 -0.13 -0.01 0.00 3.53 0.00 0.00 57.97 61.36 2k9a h PHE 93 Cb 0.87 -0.11 -0.00 0.00 2.79 0.00 0.00 35.95 39.50 2k9a h PHE 93 CO 0.00 0.73 -0.01 1.79 -2.23 0.00 0.00 178.31 178.59 2k9a h THR 94 N 0.08 1.32 -0.94 4.41 1.35 -1.12 0.11 112.91 118.13 2k9a h THR 94 Ca 0.04 -0.98 0.10 0.00 -0.55 0.00 0.00 66.41 65.01 2k9a h THR 94 Cb 0.62 1.92 -0.08 0.00 -1.73 0.00 0.00 68.15 68.88 2k9a h THR 94 CO 0.03 0.26 0.58 0.00 -0.25 0.00 0.00 175.52 176.14 2k9a h THR 95 N -0.33 0.96 0.00 6.82 1.03 -1.58 -0.84 112.91 118.97 2k9a h THR 95 Ca 0.01 -0.33 -0.17 0.00 -0.01 0.00 0.00 66.41 65.90 2k9a h THR 95 Cb 0.43 -0.09 -0.02 0.00 -1.07 0.00 0.00 68.15 67.39 2k9a h THR 95 CO 0.00 0.18 -0.83 0.74 -0.01 0.00 0.00 175.52 175.60 2k9a h THR 96 N 0.97 1.52 -0.74 0.00 2.02 -1.44 -3.30 112.91 111.93 2k9a h THR 96 Ca 0.44 -2.91 0.05 0.00 0.77 0.00 0.00 66.41 64.76 2k9a h THR 96 Cb 0.36 2.60 -0.05 0.00 -1.74 0.00 0.00 68.15 69.32 2k9a h THR 96 CO -0.23 0.81 0.45 0.25 0.37 0.00 0.00 175.52 177.17 2k9a h LEU 97 N 0.00 0.70 -1.88 2.58 6.46 0.69 -1.52 115.31 122.33 2k9a h LEU 97 Ca -0.01 0.02 0.20 0.00 -0.12 0.00 0.00 57.88 57.97 2k9a h LEU 97 Cb 1.54 -0.13 -0.04 0.00 -0.73 0.00 0.00 40.66 41.30 2k9a h LEU 97 CO 0.11 0.46 0.53 0.06 -0.62 0.00 0.00 178.44 178.98 2k9a h GLN 98 N 0.83 0.10 0.04 1.25 3.07 -1.55 0.20 115.11 119.05 2k9a h GLN 98 Ca 0.32 -0.01 -0.12 0.00 0.09 0.00 0.00 58.65 58.93 2k9a h GLN 98 Cb 0.14 -0.02 0.01 0.00 0.08 0.00 0.00 27.48 27.69 2k9a h GLN 98 CO -0.16 0.07 -0.49 0.45 0.09 0.00 0.00 178.83 178.79 2k9a h HIS 99 N 0.11 0.42 0.00 0.06 3.86 -1.48 -3.16 115.15 114.96 2k9a h HIS 99 Ca 0.37 -0.26 0.00 0.00 -1.16 0.00 0.00 60.37 59.32 2k9a h HIS 99 Cb 1.30 -0.04 0.00 0.00 1.06 0.00 0.00 27.41 29.73 2k9a h HIS 99 CO -0.00 1.11 0.00 0.72 0.86 0.00 0.00 177.93 180.62 2k9a n HIS 100 N -4.32 0.00 0.30 2.45 8.25 -0.27 -2.63 115.22 119.00 2k9a n HIS 100 Ca -0.11 0.00 0.14 0.00 -0.26 0.00 0.00 57.72 57.49 2k9a n HIS 100 Cb 0.64 -0.23 0.67 0.00 1.12 0.00 0.00 29.99 32.20 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 -0.64 -1.11 116.57 118.05 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 0.13 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.95 2k9a h LYS 101 CO 0.00 0.00 0.00 -0.25 -2.27 0.00 0.00 179.45 176.93 2k9a n ASP 102 N -2.54 0.00 0.00 4.20 9.92 -1.08 -3.87 116.55 123.19 2k9a n ASP 102 Ca 0.00 0.01 0.00 0.00 -0.53 0.00 0.00 54.79 54.27 2k9a n ASP 102 Cb 0.16 -0.26 0.00 0.00 -0.64 0.00 0.00 41.12 40.38 2k9a n ASP 102 CO 0.00 0.00 0.00 1.21 0.13 0.00 0.00 177.20 178.54 2k9a n GLU 103 N -1.26 0.00 -1.65 -1.24 2.13 -0.68 -5.08 120.64 112.85 2k9a n GLU 103 Ca 0.08 0.00 -0.39 0.00 0.66 0.00 0.00 57.16 57.51 2k9a n GLU 103 Cb 0.12 -0.24 0.03 0.00 0.27 0.00 0.00 31.44 31.62 2k9a n GLU 103 CO 0.00 0.00 0.00 0.28 -0.41 0.00 0.00 177.13 177.00 2k9a n VAL 104 N -2.68 3.25 -1.50 6.31 0.31 -0.51 -4.79 118.33 118.71 2k9a n VAL 104 Ca 0.00 -0.50 -0.46 0.00 -0.01 0.00 0.00 64.34 63.37 2k9a n VAL 104 Cb 0.22 -1.33 -0.06 0.00 -0.91 0.00 0.00 33.84 31.76 2k9a n VAL 104 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2k9a n ALA 105 N -1.05 1.16 0.16 3.52 0.00 -1.26 -4.81 120.51 118.22 2k9a n ALA 105 Ca 0.11 -0.28 0.02 0.00 0.00 0.00 0.00 53.44 53.29 2k9a n ALA 105 Cb 0.44 -2.74 0.36 0.00 0.00 0.00 0.00 19.45 17.51 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 14.31 0.12 1.03 0.00 0.00 -1.86 -2.59 103.07 114.07 2k9a h GLY 106 Ca -0.28 -0.09 -0.04 0.00 0.00 0.00 0.00 47.33 46.92 2k9a h GLY 106 CO 1.06 0.08 0.36 -0.55 0.00 0.00 0.00 176.54 177.48 2k9a h ASP 107 N 0.10 1.06 -0.01 0.19 3.32 -1.99 0.15 116.42 119.24 2k9a h ASP 107 Ca 0.01 -0.15 -0.01 0.00 0.02 0.00 0.00 57.03 56.90 2k9a h ASP 107 Cb 0.57 -0.27 0.00 0.00 0.22 0.00 0.00 39.33 39.85 2k9a h ASP 107 CO 0.04 0.92 -0.04 0.40 -1.72 0.00 0.00 179.24 178.84 2k9a h ILE 108 N 1.14 1.52 0.00 0.35 2.04 -1.91 -3.24 117.51 117.41 2k9a h ILE 108 Ca 0.27 -1.58 -0.05 0.00 1.00 0.00 0.00 64.86 64.51 2k9a h ILE 108 Cb 0.16 2.56 -0.01 0.00 -0.74 0.00 0.00 36.82 38.79 2k9a h ILE 108 CO -0.03 0.41 -0.22 0.15 0.00 0.00 0.00 178.15 178.47 2k9a h PHE 109 N -0.61 0.00 -0.99 1.37 3.57 -1.44 -2.67 116.94 116.17 2k9a h PHE 109 Ca -0.00 0.00 0.29 0.00 3.53 0.00 0.00 57.97 61.79 2k9a h PHE 109 Cb 0.70 0.00 -0.04 0.00 2.79 0.00 0.00 35.95 39.40 2k9a h PHE 109 CO 0.16 0.22 0.79 0.22 -2.23 0.00 0.00 178.31 177.46 2k9a h ASP 110 N 0.00 0.00 0.07 0.41 1.82 -0.72 0.51 116.42 118.51 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 0.41 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.42 2k9a h ASP 110 CO 0.03 0.00 -0.03 -0.03 -1.61 0.00 0.00 179.24 177.60 2k9a h MET 111 N 0.00 -0.09 0.00 0.28 4.05 -1.63 -3.18 114.93 114.36 2k9a h MET 111 Ca 0.47 0.01 -0.02 0.00 -0.28 0.00 0.00 59.70 59.88 2k9a h MET 111 Cb 2.05 0.02 -0.00 0.00 -0.80 0.00 0.00 31.60 32.86 2k9a h MET 111 CO -0.00 0.46 -0.08 -0.07 0.23 0.00 0.00 176.91 177.44 2k9a h LEU 112 N -0.72 0.00 -1.89 3.39 3.38 -0.71 -2.80 115.31 115.96 2k9a h LEU 112 Ca -0.01 0.00 0.21 0.00 0.09 0.00 0.00 57.88 58.17 2k9a h LEU 112 Cb 0.58 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.31 2k9a h LEU 112 CO 0.02 0.08 0.63 0.25 0.09 0.00 0.00 178.44 179.51 2k9a h LEU 113 N 0.00 0.00 0.00 1.67 5.85 -0.14 0.86 115.31 123.55 2k9a h LEU 113 Ca -0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 2k9a h LEU 113 Cb 0.35 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.38 2k9a h LEU 113 CO 0.01 0.00 0.00 0.35 -0.34 0.00 0.00 178.44 178.46 2k9a n THR 114 N -3.89 0.02 0.27 1.05 -2.24 -1.06 -2.20 114.28 106.24 2k9a n THR 114 Ca 0.15 0.00 0.14 0.00 -2.27 0.00 0.00 64.05 62.07 2k9a n THR 114 Cb 0.89 -1.00 0.78 0.00 -2.10 0.00 0.00 70.33 68.90 2k9a n THR 114 CO 0.00 0.00 0.00 -0.26 -0.57 0.00 0.00 175.07 174.24 2k9a h PHE 115 N 0.00 0.00 0.00 4.78 0.04 -1.10 -3.38 116.94 117.29 2k9a h PHE 115 Ca 0.00 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.77 2k9a h PHE 115 Cb 0.00 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.15 2k9a h PHE 115 CO 0.00 0.09 0.00 -2.37 -0.60 0.00 0.00 178.31 175.43 2k9a n THR 116 N -3.52 0.00 -2.16 -1.55 5.66 -0.96 -5.01 114.28 106.73 2k9a n THR 116 Ca -0.02 0.00 -0.30 0.00 -3.05 0.00 0.00 64.05 60.68 2k9a n THR 116 Cb 0.22 0.00 -0.05 0.00 -1.55 0.00 0.00 70.33 68.96 2k9a n THR 116 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 175.07 171.40 2k9a s ASP 117 N -1.59 5.45 0.38 1.09 -1.08 -0.93 -4.79 116.67 115.20 2k9a s ASP 117 Ca 0.00 -0.83 0.06 0.00 -0.52 0.00 0.00 52.55 51.26 2k9a s ASP 117 Cb 0.00 -2.56 0.77 0.00 -1.46 0.00 0.00 42.92 39.67 2k9a s ASP 117 CO 0.00 -2.46 2.01 0.15 0.52 0.00 0.00 175.17 175.39 2k9a h PHE 118 N 11.02 0.55 -0.42 -5.34 3.57 -1.89 -1.81 116.94 122.62 2k9a h PHE 118 Ca 0.11 -0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.59 2k9a h PHE 118 Cb 1.01 -0.18 -0.02 0.00 2.79 0.00 0.00 35.95 39.55 2k9a h PHE 118 CO 1.23 0.40 0.18 -0.07 -2.23 0.00 0.00 178.31 177.82 2k9a h LEU 119 N 0.58 0.53 -0.21 0.59 3.38 -1.98 -2.20 115.31 115.99 2k9a h LEU 119 Ca 0.15 -0.05 -0.21 0.00 0.09 0.00 0.00 57.88 57.86 2k9a h LEU 119 Cb 0.03 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.64 2k9a h LEU 119 CO -0.02 0.47 -0.93 0.00 0.09 0.00 0.00 178.44 178.05 2k9a h ALA 120 N 1.61 0.44 0.42 1.53 0.00 -1.74 -2.64 119.26 118.89 2k9a h ALA 120 Ca 0.15 -0.75 -0.02 0.00 0.00 0.00 0.00 54.91 54.29 2k9a h ALA 120 Cb 0.10 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.83 2k9a h ALA 120 CO -0.02 0.92 -0.20 0.35 0.00 0.00 0.00 179.25 180.30 2k9a h PHE 121 N 0.12 -0.52 0.05 0.00 3.57 -0.92 0.13 116.94 119.37 2k9a h PHE 121 Ca -0.06 -0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.43 2k9a h PHE 121 Cb 1.58 0.17 0.00 0.00 2.79 0.00 0.00 35.95 40.49 2k9a h PHE 121 CO 0.04 -0.27 -0.02 -0.22 -2.23 0.00 0.00 178.31 175.60 2k9a h LYS 122 N -0.65 -0.06 -0.10 1.11 3.64 -1.55 -2.53 116.57 116.43 2k9a h LYS 122 Ca -0.06 0.00 0.03 0.00 -1.27 0.00 0.00 60.65 59.35 2k9a h LYS 122 Cb 0.48 0.01 -0.00 0.00 -0.41 0.00 0.00 32.23 32.31 2k9a h LYS 122 CO 0.09 0.12 0.08 1.49 -2.27 0.00 0.00 179.45 178.96 2k9a h GLU 123 N -0.23 0.00 -0.16 1.90 4.57 -1.47 -1.51 114.58 117.67 2k9a h GLU 123 Ca -0.01 0.00 -0.02 0.00 -1.18 0.00 0.00 59.36 58.15 2k9a h GLU 123 Cb 0.21 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 28.79 2k9a h GLU 123 CO 0.01 0.00 0.03 1.98 -1.18 0.00 0.00 179.01 179.85 2k9a h MET 124 N 0.00 0.26 -0.35 1.92 4.05 -0.31 -1.64 114.93 118.87 2k9a h MET 124 Ca 0.05 -0.07 -0.09 0.00 -0.28 0.00 0.00 59.70 59.30 2k9a h MET 124 Cb 0.20 -0.03 -0.01 0.00 -0.80 0.00 0.00 31.60 30.96 2k9a h MET 124 CO -0.00 0.44 -0.15 0.74 0.23 0.00 0.00 176.91 178.16 2k9a h PHE 125 N 0.05 0.82 -0.76 1.39 0.04 -1.13 -2.09 116.94 115.26 2k9a h PHE 125 Ca 0.05 -0.20 0.05 0.00 2.80 0.00 0.00 57.97 60.67 2k9a h PHE 125 Cb 0.30 -0.19 -0.05 0.00 2.20 0.00 0.00 35.95 38.20 2k9a h PHE 125 CO 0.02 0.91 0.46 -0.07 -0.60 0.00 0.00 178.31 179.03 2k9a h LEU 126 N 0.49 0.74 -0.48 1.54 3.38 -1.27 -1.50 115.31 118.21 2k9a h LEU 126 Ca 0.08 0.01 -0.09 0.00 0.09 0.00 0.00 57.88 57.97 2k9a h LEU 126 Cb 0.69 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 41.28 2k9a h LEU 126 CO 0.05 0.49 -0.05 -0.78 0.09 0.00 0.00 178.44 178.24 2k9a h ASP 127 N 0.87 0.88 -0.87 -0.43 3.58 -1.24 -2.34 116.42 116.88 2k9a h ASP 127 Ca 0.32 -0.33 0.06 0.00 0.42 0.00 0.00 57.03 57.49 2k9a h ASP 127 Cb 0.10 -0.24 -0.05 0.00 1.72 0.00 0.00 39.33 40.86 2k9a h ASP 127 CO -0.15 1.00 0.57 0.22 -2.88 0.00 0.00 179.24 178.00 2k9a h TYR 128 N 0.74 1.01 -0.13 0.28 3.20 -0.72 -1.24 116.97 120.11 2k9a h TYR 128 Ca 0.13 0.03 -0.15 0.00 3.14 0.00 0.00 58.73 61.88 2k9a h TYR 128 Cb 0.58 -0.33 -0.01 0.00 1.54 0.00 0.00 36.73 38.51 2k9a h TYR 128 CO 0.04 0.55 -0.55 -0.09 -1.64 0.00 0.00 178.16 176.47 2k9a h ARG 129 N 1.01 0.39 -0.50 1.82 2.43 -1.09 -3.02 114.38 115.42 2k9a h ARG 129 Ca 0.37 -0.24 -0.01 0.00 -0.81 0.00 0.00 59.98 59.28 2k9a h ARG 129 Cb 0.15 0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 29.71 2k9a h ARG 129 CO -0.13 0.84 0.26 0.00 -1.51 0.00 0.00 179.97 179.43 2k9a h ALA 130 N 1.12 1.52 0.00 2.80 0.00 -0.69 -1.27 119.26 122.74 2k9a h ALA 130 Ca 0.00 -0.09 -0.04 0.00 0.00 0.00 0.00 54.91 54.79 2k9a h ALA 130 Cb 1.06 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.64 2k9a h ALA 130 CO 0.09 0.39 -0.19 0.93 0.00 0.00 0.00 179.25 180.48 2k9a h GLU 131 N 0.69 0.00 0.00 0.00 5.08 -1.30 -1.91 114.58 117.14 2k9a h GLU 131 Ca 0.18 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.52 2k9a h GLU 131 Cb 0.04 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.29 2k9a h GLU 131 CO -0.03 0.19 -0.07 0.87 -1.00 0.00 0.00 179.01 178.97 2k9a h LYS 132 N 0.00 0.00 0.00 2.33 1.79 -1.26 -1.93 116.57 117.50 2k9a h LYS 132 Ca -0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 2k9a h LYS 132 Cb 0.44 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.09 2k9a h LYS 132 CO 0.02 0.07 0.00 0.39 -1.08 0.00 0.00 179.45 178.85 2k9a n GLU 133 N -3.25 0.86 -2.97 3.15 -0.58 -0.72 -3.89 120.64 113.24 2k9a n GLU 133 Ca -0.00 0.00 -0.14 0.00 -0.42 0.00 0.00 57.16 56.60 2k9a n GLU 133 Cb 0.29 -1.50 0.01 0.00 -0.57 0.00 0.00 31.44 29.67 2k9a n GLU 133 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2k9a n GLY 134 N 0.96 2.49 0.08 0.62 0.00 -0.73 -4.92 105.19 103.69 2k9a n GLY 134 Ca 0.21 -1.19 -0.10 0.00 0.00 0.00 0.00 46.02 44.94 2k9a n GLY 134 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 2k9a h ARG 135 N 2.93 0.08 -0.02 1.61 0.11 -1.67 -3.49 114.38 113.94 2k9a h ARG 135 Ca -0.00 -0.14 0.00 0.00 0.10 0.00 0.00 59.98 59.93 2k9a h ARG 135 Cb 1.06 0.05 0.00 0.00 1.11 0.00 0.00 29.97 32.19 2k9a h ARG 135 CO 0.39 0.94 0.00 0.41 0.10 0.00 0.00 179.97 181.81