#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 1.63 0.84 7.83 1.47 -1.26 -5.09 116.67 122.09 2k9a s ASP 2 Ca 0.00 -0.26 0.00 0.00 1.18 0.00 0.00 52.55 53.47 2k9a s ASP 2 Cb 0.00 -0.44 0.00 0.00 -0.34 0.00 0.00 42.92 42.14 2k9a s ASP 2 CO 0.00 0.10 0.00 0.00 0.68 0.00 0.00 175.17 175.95 2k9a n ALA 3 N 3.23 0.00 1.62 2.11 0.00 -1.26 -3.58 120.51 122.63 2k9a n ALA 3 Ca -0.18 0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.38 2k9a n ALA 3 Cb 0.54 0.00 0.57 0.00 0.00 0.00 0.00 19.45 20.56 2k9a n ALA 3 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2k9a n LEU 4 N 0.00 0.95 -4.98 0.00 4.77 -1.26 -4.88 117.00 111.61 2k9a n LEU 4 Ca 0.00 -0.36 -0.22 0.00 -0.03 0.00 0.00 56.01 55.40 2k9a n LEU 4 Cb 0.00 -0.03 0.07 0.00 -2.33 0.00 0.00 43.42 41.13 2k9a n LEU 4 CO 0.00 0.18 0.46 -1.61 -1.33 0.00 0.00 177.39 175.09 2k9a s GLU 5 N -1.94 2.16 -0.41 3.23 0.41 -1.23 -5.06 118.70 115.85 2k9a s GLU 5 Ca 0.36 -0.90 0.11 0.00 -0.41 0.00 0.00 54.97 54.13 2k9a s GLU 5 Cb 0.18 -2.41 0.38 0.00 -1.78 0.00 0.00 34.13 30.51 2k9a s GLU 5 CO 0.30 -1.05 0.88 0.41 -0.49 0.00 0.00 175.26 175.30 2k9a n GLY 6 N -2.58 3.85 5.13 -1.39 0.00 -1.26 -4.52 105.19 104.43 2k9a n GLY 6 Ca 0.11 -1.97 0.00 0.00 0.00 0.00 0.00 46.02 44.16 2k9a n GLY 6 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2k9a n GLU 7 N -0.01 0.00 -4.57 1.61 1.02 -1.26 -4.56 120.64 112.86 2k9a n GLU 7 Ca 0.24 0.00 -0.33 0.00 -0.02 0.00 0.00 57.16 57.05 2k9a n GLU 7 Cb 0.64 0.00 -0.13 0.00 -0.02 0.00 0.00 31.44 31.93 2k9a n GLU 7 CO 0.00 0.00 0.00 -1.12 1.18 0.00 0.00 177.13 177.19 2k9a s SER 8 N -4.00 4.49 0.00 1.62 0.01 -1.26 -4.91 113.70 109.65 2k9a s SER 8 Ca 0.00 -0.18 0.00 0.00 1.31 0.00 0.00 55.95 57.08 2k9a s SER 8 Cb 0.00 -1.63 0.00 0.00 0.21 0.00 0.00 66.02 64.60 2k9a s SER 8 CO 0.00 0.20 0.00 0.33 0.41 0.00 0.00 173.24 174.18 2k9a n PHE 9 N 3.33 -0.96 -4.42 2.43 7.35 -1.26 -5.14 117.46 118.79 2k9a n PHE 9 Ca -0.18 0.00 -0.21 0.00 -0.76 0.00 0.00 57.45 56.30 2k9a n PHE 9 Cb 0.53 0.29 -0.10 0.00 0.35 0.00 0.00 39.48 40.54 2k9a n PHE 9 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 2k9a s ALA 10 N -1.57 2.40 -0.02 3.13 0.00 -1.26 -5.14 121.76 119.29 2k9a s ALA 10 Ca 0.00 -1.83 -0.08 0.00 0.00 0.00 0.00 51.96 50.05 2k9a s ALA 10 Cb 0.00 -0.06 -0.05 0.00 0.00 0.00 0.00 23.12 23.02 2k9a s ALA 10 CO 0.00 0.09 0.26 -0.51 0.00 0.00 0.00 175.76 175.60 2k9a s LEU 11 N -3.43 4.39 -0.17 0.00 1.43 -1.26 -5.09 118.68 114.55 2k9a s LEU 11 Ca 0.27 0.59 -0.04 0.00 -1.03 0.00 0.00 54.13 53.93 2k9a s LEU 11 Cb -0.00 -2.52 -0.02 0.00 0.03 0.00 0.00 46.19 43.67 2k9a s LEU 11 CO 0.11 0.30 -0.04 -0.94 0.23 0.00 0.00 176.35 176.01 2k9a s SER 12 N -1.47 4.64 0.00 2.29 1.04 -1.26 -4.92 113.70 114.02 2k9a s SER 12 Ca 0.24 -0.20 0.00 0.00 0.48 0.00 0.00 55.95 56.47 2k9a s SER 12 Cb -0.13 -1.76 0.00 0.00 0.10 0.00 0.00 66.02 64.22 2k9a s SER 12 CO 0.13 0.12 0.12 2.22 0.98 0.00 0.00 173.24 176.81 2k9a n PHE 13 N 3.84 0.00 1.82 5.02 -1.74 -1.26 -4.61 117.46 120.53 2k9a n PHE 13 Ca -0.17 0.00 0.07 0.00 -0.56 0.00 0.00 57.45 56.78 2k9a n PHE 13 Cb 0.52 0.03 0.35 0.00 1.52 0.00 0.00 39.48 41.90 2k9a n PHE 13 CO 0.00 0.00 0.00 0.45 -0.56 0.00 0.00 176.76 176.65 2k9a n SER 14 N 0.00 0.35 0.00 5.98 2.88 -1.26 -3.84 113.62 117.73 2k9a n SER 14 Ca 0.00 -1.66 0.00 0.00 -1.33 0.00 0.00 58.87 55.88 2k9a n SER 14 Cb 0.34 -0.03 0.00 0.00 -0.75 0.00 0.00 64.21 63.77 2k9a n SER 14 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 2k9a n SER 15 N -0.47 0.00 0.23 -3.46 3.41 -1.26 -4.84 113.62 107.23 2k9a n SER 15 Ca 0.10 0.00 -0.15 0.00 -0.26 0.00 0.00 58.87 58.56 2k9a n SER 15 Cb 0.10 0.00 -0.08 0.00 -0.26 0.00 0.00 64.21 63.97 2k9a n SER 15 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2k9a h ALA 16 N 0.00 -0.58 -0.02 7.33 0.00 -1.82 -1.77 119.26 122.41 2k9a h ALA 16 Ca 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.74 2k9a h ALA 16 Cb 0.00 0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.01 2k9a h ALA 16 CO 0.00 -0.74 0.00 -1.13 0.00 0.00 0.00 179.25 177.38 2k9a n SER 17 N -5.27 0.13 -4.98 0.00 3.41 -1.25 -4.54 113.62 101.12 2k9a n SER 17 Ca -0.11 -1.60 -0.21 0.00 -0.26 0.00 0.00 58.87 56.69 2k9a n SER 17 Cb 0.28 -0.01 0.02 0.00 -0.26 0.00 0.00 64.21 64.25 2k9a n SER 17 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 2k9a s ASP 18 N -1.42 5.04 0.50 4.04 1.11 -1.01 -5.01 116.67 119.93 2k9a s ASP 18 Ca 0.21 -0.89 0.28 0.00 0.18 0.00 0.00 52.55 52.33 2k9a s ASP 18 Cb 0.10 0.09 1.28 0.00 1.07 0.00 0.00 42.92 45.46 2k9a s ASP 18 CO 0.16 -1.11 1.98 0.00 1.18 0.00 0.00 175.17 177.38 2k9a h ALA 19 N 0.50 1.12 -0.73 5.23 0.00 -1.88 -3.06 119.26 120.44 2k9a h ALA 19 Ca -0.34 -0.13 0.06 0.00 0.00 0.00 0.00 54.91 54.50 2k9a h ALA 19 Cb 1.29 -0.02 -0.06 0.00 0.00 0.00 0.00 17.79 19.00 2k9a h ALA 19 CO 0.48 0.17 0.42 1.49 0.00 0.00 0.00 179.25 181.81 2k9a h GLU 20 N 0.00 0.74 -0.48 0.00 4.81 -1.92 -2.20 114.58 115.53 2k9a h GLU 20 Ca -0.00 -0.04 0.09 0.00 -0.13 0.00 0.00 59.36 59.28 2k9a h GLU 20 Cb 0.51 -0.17 -0.08 0.00 0.63 0.00 0.00 28.75 29.64 2k9a h GLU 20 CO 0.02 0.49 -0.01 0.35 -0.73 0.00 0.00 179.01 179.13 2k9a h PHE 21 N 0.76 -0.04 -0.78 0.92 3.04 -1.22 -0.78 116.94 118.84 2k9a h PHE 21 Ca 0.33 0.04 0.03 0.00 3.98 0.00 0.00 57.97 62.35 2k9a h PHE 21 Cb 0.20 0.09 -0.05 0.00 2.56 0.00 0.00 35.95 38.76 2k9a h PHE 21 CO -0.07 -0.11 0.49 0.22 -2.02 0.00 0.00 178.31 176.83 2k9a h ASP 22 N 0.11 0.81 -0.61 0.41 3.58 -1.58 -2.17 116.42 116.97 2k9a h ASP 22 Ca 0.24 -0.00 0.04 0.00 0.42 0.00 0.00 57.03 57.72 2k9a h ASP 22 Cb 0.36 -0.18 -0.04 0.00 1.72 0.00 0.00 39.33 41.19 2k9a h ASP 22 CO -0.40 0.56 0.36 0.00 -2.88 0.00 0.00 179.24 176.87 2k9a h ALA 23 N 1.33 0.79 -0.73 -0.78 0.00 -0.77 -2.26 119.26 116.84 2k9a h ALA 23 Ca 0.31 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.22 2k9a h ALA 23 Cb 0.02 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 17.62 2k9a h ALA 23 CO -0.12 0.07 0.47 0.28 0.00 0.00 0.00 179.25 179.95 2k9a h VAL 24 N 0.69 1.20 -0.89 0.00 2.07 -0.67 -2.34 116.25 116.30 2k9a h VAL 24 Ca 0.25 -0.40 0.09 0.00 0.82 0.00 0.00 66.70 67.46 2k9a h VAL 24 Cb 0.07 0.14 -0.07 0.00 -1.52 0.00 0.00 31.29 29.92 2k9a h VAL 24 CO -0.13 0.20 0.54 0.58 0.02 0.00 0.00 177.57 178.78 2k9a h VAL 25 N 1.00 0.97 -0.47 2.57 2.07 -0.84 -1.22 116.25 120.33 2k9a h VAL 25 Ca 0.27 -0.32 -0.05 0.00 0.82 0.00 0.00 66.70 67.42 2k9a h VAL 25 Cb -0.08 -0.04 -0.02 0.00 -1.52 0.00 0.00 31.29 29.63 2k9a h VAL 25 CO -0.05 0.17 0.10 1.23 0.02 0.00 0.00 177.57 179.04 2k9a h GLY 26 N 0.93 0.82 1.47 2.17 0.00 -1.07 -2.52 103.07 104.89 2k9a h GLY 26 Ca 0.41 -0.53 -0.03 0.00 0.00 0.00 0.00 47.33 47.19 2k9a h GLY 26 CO -0.22 0.49 0.17 -0.97 0.00 0.00 0.00 176.54 176.01 2k9a h TYR 27 N 0.64 0.68 -0.35 5.60 0.05 -0.96 -2.66 116.97 119.98 2k9a h TYR 27 Ca 0.15 -0.03 -0.04 0.00 0.05 0.00 0.00 58.73 58.86 2k9a h TYR 27 Cb 0.34 -0.21 -0.01 0.00 1.01 0.00 0.00 36.73 37.86 2k9a h TYR 27 CO 0.02 0.54 0.07 -0.07 -1.05 0.00 0.00 178.16 177.68 2k9a h LEU 28 N 0.67 0.54 -0.77 3.88 3.38 -1.00 -2.97 115.31 119.05 2k9a h LEU 28 Ca 0.16 -0.25 0.04 0.00 0.09 0.00 0.00 57.88 57.93 2k9a h LEU 28 Cb 0.16 -0.14 -0.05 0.00 0.09 0.00 0.00 40.66 40.72 2k9a h LEU 28 CO -0.01 0.64 0.47 -0.33 0.09 0.00 0.00 178.44 179.30 2k9a h GLU 29 N 0.40 0.87 -0.52 1.13 5.08 -1.13 -0.98 114.58 119.44 2k9a h GLU 29 Ca 0.11 -0.05 0.09 0.00 -1.00 0.00 0.00 59.36 58.50 2k9a h GLU 29 Cb 0.33 -0.20 -0.03 0.00 0.50 0.00 0.00 28.75 29.35 2k9a h GLU 29 CO 0.00 0.58 0.35 0.22 -1.00 0.00 0.00 179.01 179.16 2k9a h ASP 30 N 0.90 0.29 0.29 1.42 3.58 -1.33 -1.31 116.42 120.25 2k9a h ASP 30 Ca 0.32 0.00 -0.28 0.00 0.42 0.00 0.00 57.03 57.50 2k9a h ASP 30 Cb 0.09 -0.06 0.02 0.00 1.72 0.00 0.00 39.33 41.10 2k9a h ASP 30 CO -0.14 0.18 -1.18 0.40 -2.88 0.00 0.00 179.24 175.62 2k9a h ILE 31 N 0.32 1.36 -0.40 2.25 2.04 -1.10 -2.95 117.51 119.03 2k9a h ILE 31 Ca 0.24 -2.60 -0.05 0.00 1.00 0.00 0.00 64.86 63.46 2k9a h ILE 31 Cb 0.51 2.69 -0.02 0.00 -0.74 0.00 0.00 36.82 39.27 2k9a h ILE 31 CO -0.05 0.78 0.06 0.40 0.00 0.00 0.00 178.15 179.33 2k9a h ILE 32 N 0.22 1.20 -0.55 -0.67 2.04 -0.30 -2.08 117.51 117.36 2k9a h ILE 32 Ca -0.15 -0.75 -0.01 0.00 1.00 0.00 0.00 64.86 64.95 2k9a h ILE 32 Cb 1.85 0.83 -0.01 0.00 -0.74 0.00 0.00 36.82 38.76 2k9a h ILE 32 CO 0.21 0.27 0.01 0.23 0.00 0.00 0.00 178.15 178.87 2k9a n MET 33 N -4.29 4.66 -3.02 2.37 2.81 -0.65 -4.79 117.12 114.21 2k9a n MET 33 Ca 0.02 -2.99 -0.40 0.00 -1.81 0.00 0.00 57.70 52.53 2k9a n MET 33 Cb 0.23 -2.23 -0.05 0.00 -0.71 0.00 0.00 33.22 30.45 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 -0.74 7.15 0.17 7.83 -1.08 -0.78 -4.97 116.67 124.25 2k9a s ASP 34 Ca 0.52 1.38 -0.14 0.00 -0.52 0.00 0.00 52.55 53.79 2k9a s ASP 34 Cb 0.40 -2.45 0.12 0.00 -1.46 0.00 0.00 42.92 39.53 2k9a s ASP 34 CO 0.15 0.01 1.77 0.44 0.52 0.00 0.00 175.17 178.05 2k9a h ASP 35 N 5.80 0.25 0.16 -0.34 5.19 -1.91 -1.09 116.42 124.49 2k9a h ASP 35 Ca -0.44 0.04 -0.03 0.00 -0.62 0.00 0.00 57.03 55.98 2k9a h ASP 35 Cb 1.20 -0.00 -0.00 0.00 0.18 0.00 0.00 39.33 40.71 2k9a h ASP 35 CO 0.71 0.18 -0.14 -0.08 -3.12 0.00 0.00 179.24 176.80 2k9a h GLU 36 N 0.39 0.00 -0.04 3.56 4.57 -1.94 -2.07 114.58 119.05 2k9a h GLU 36 Ca 0.21 0.00 -0.22 0.00 -1.18 0.00 0.00 59.36 58.16 2k9a h GLU 36 Cb 0.16 0.00 0.01 0.00 -0.16 0.00 0.00 28.75 28.75 2k9a h GLU 36 CO -0.18 0.14 -0.88 0.35 -1.18 0.00 0.00 179.01 177.26 2k9a h PHE 37 N 0.00 0.74 -0.30 0.92 3.57 -1.51 -2.18 116.94 118.17 2k9a h PHE 37 Ca -0.00 -0.37 -0.11 0.00 3.53 0.00 0.00 57.97 61.01 2k9a h PHE 37 Cb 0.25 -0.10 -0.01 0.00 2.79 0.00 0.00 35.95 38.89 2k9a h PHE 37 CO 0.00 1.18 -0.26 1.96 -2.23 0.00 0.00 178.31 178.96 2k9a h GLN 38 N 0.32 0.71 -0.41 1.11 4.20 -0.78 -0.30 115.11 119.96 2k9a h GLN 38 Ca -0.07 -0.36 -0.14 0.00 0.06 0.00 0.00 58.65 58.14 2k9a h GLN 38 Cb 1.51 0.01 -0.01 0.00 0.30 0.00 0.00 27.48 29.28 2k9a h GLN 38 CO 0.16 0.97 -0.28 1.25 -0.67 0.00 0.00 178.83 180.27 2k9a h LEU 39 N 0.46 0.96 -0.24 1.46 6.46 -1.45 -2.17 115.31 120.78 2k9a h LEU 39 Ca 0.05 -0.43 -0.10 0.00 -0.12 0.00 0.00 57.88 57.29 2k9a h LEU 39 Cb 0.82 -0.27 -0.00 0.00 -0.73 0.00 0.00 40.66 40.48 2k9a h LEU 39 CO 0.07 1.18 -0.23 0.25 -0.62 0.00 0.00 178.44 179.08 2k9a h LEU 40 N 0.74 0.63 0.02 2.25 6.46 -1.39 -1.46 115.31 122.55 2k9a h LEU 40 Ca 0.08 -0.47 -0.00 0.00 -0.12 0.00 0.00 57.88 57.37 2k9a h LEU 40 Cb 0.86 -0.18 0.00 0.00 -0.73 0.00 0.00 40.66 40.61 2k9a h LEU 40 CO 0.08 0.97 -0.01 -0.61 -0.62 0.00 0.00 178.44 178.25 2k9a h GLN 41 N 0.30 -0.02 -0.12 1.25 4.15 -1.05 -2.39 115.11 117.22 2k9a h GLN 41 Ca 0.04 0.00 -0.08 0.00 0.77 0.00 0.00 58.65 59.39 2k9a h GLN 41 Cb 0.79 0.01 -0.01 0.00 0.21 0.00 0.00 27.48 28.47 2k9a h GLN 41 CO 0.06 0.05 -0.26 -0.09 -1.93 0.00 0.00 178.83 176.66 2k9a h ARG 42 N -0.09 0.22 -0.10 1.69 2.43 -1.45 -0.20 114.38 116.89 2k9a h ARG 42 Ca -0.00 -0.07 -0.00 0.00 -0.81 0.00 0.00 59.98 59.09 2k9a h ARG 42 Cb 0.08 -0.02 -0.00 0.00 -0.42 0.00 0.00 29.97 29.61 2k9a h ARG 42 CO 0.00 0.48 0.05 -0.97 -1.51 0.00 0.00 179.97 178.02 2k9a h ASN 43 N 0.20 0.12 0.11 -3.80 -0.73 -0.96 -1.72 115.58 108.80 2k9a h ASN 43 Ca 0.03 -0.10 -0.19 0.00 1.87 0.00 0.00 56.30 57.92 2k9a h ASN 43 Cb 0.58 -0.03 0.02 0.00 0.27 0.00 0.00 38.32 39.16 2k9a h ASN 43 CO 0.04 0.19 -0.79 -0.26 -0.37 0.00 0.00 177.43 176.24 2k9a h PHE 44 N 0.05 0.59 -0.25 0.67 0.04 -1.37 -3.28 116.94 113.39 2k9a h PHE 44 Ca 0.03 -0.40 0.07 0.00 2.80 0.00 0.00 57.97 60.48 2k9a h PHE 44 Cb 0.09 -0.04 -0.01 0.00 2.20 0.00 0.00 35.95 38.20 2k9a h PHE 44 CO -0.04 1.28 0.21 0.00 -0.60 0.00 0.00 178.31 179.16 2k9a h MET 45 N -0.27 0.00 -0.18 1.51 -0.00 -1.07 0.23 114.93 115.15 2k9a h MET 45 Ca -0.13 0.00 0.01 0.00 -0.00 0.00 0.00 59.70 59.59 2k9a h MET 45 Cb 1.58 0.00 -0.01 0.00 -0.00 0.00 0.00 31.60 33.17 2k9a h MET 45 CO 0.15 0.00 0.12 0.22 -0.00 0.00 0.00 176.91 177.40 2k9a h ASP 46 N 0.00 0.15 0.20 -0.10 1.82 -1.36 -1.30 116.42 115.83 2k9a h ASP 46 Ca 0.12 -0.00 -0.35 0.00 -0.39 0.00 0.00 57.03 56.41 2k9a h ASP 46 Cb 0.53 -0.04 -0.03 0.00 0.68 0.00 0.00 39.33 40.47 2k9a h ASP 46 CO -0.00 0.11 -2.00 0.29 -1.61 0.00 0.00 179.24 176.03 2k9a n LYS 47 N -4.51 0.71 0.29 0.28 4.01 -0.01 -4.18 118.16 114.76 2k9a n LYS 47 Ca 0.00 0.24 -0.17 0.00 -0.51 0.00 0.00 58.31 57.88 2k9a n LYS 47 Cb 0.12 -1.70 -0.08 0.00 -0.51 0.00 0.00 35.03 32.86 2k9a n LYS 47 CO 0.00 0.00 0.00 1.88 -1.11 0.00 0.00 177.40 178.17 2k9a h TYR 48 N 0.04 -0.65 0.00 2.13 -1.99 -0.98 -2.00 116.97 113.52 2k9a h TYR 48 Ca -0.41 -0.01 0.00 0.00 2.00 0.00 0.00 58.73 60.30 2k9a h TYR 48 Cb 2.03 0.22 0.00 0.00 2.00 0.00 0.00 36.73 40.97 2k9a h TYR 48 CO 0.05 -0.40 0.11 0.10 -0.00 0.00 0.00 178.16 178.01 2k9a h TYR 49 N -0.70 0.00 0.18 4.88 -0.00 -1.46 -0.48 116.97 119.38 2k9a h TYR 49 Ca -0.07 0.00 -0.25 0.00 -0.00 0.00 0.00 58.73 58.41 2k9a h TYR 49 Cb 0.54 0.00 0.02 0.00 -0.00 0.00 0.00 36.73 37.29 2k9a h TYR 49 CO -0.04 0.00 -1.16 -0.07 -0.00 0.00 0.00 178.16 176.89 2k9a h LEU 50 N 0.00 0.58 -0.75 0.10 3.38 -1.54 -3.33 115.31 113.75 2k9a h LEU 50 Ca 0.00 -0.93 -0.13 0.00 0.09 0.00 0.00 57.88 56.91 2k9a h LEU 50 Cb 0.21 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.76 2k9a h LEU 50 CO 0.00 1.55 -0.46 -0.33 0.09 0.00 0.00 178.44 179.29 2k9a h GLU 51 N -0.18 0.39 -5.93 1.13 5.08 -0.69 -3.38 114.58 111.00 2k9a h GLU 51 Ca -0.21 -0.21 -0.51 0.00 -1.00 0.00 0.00 59.36 57.43 2k9a h GLU 51 Cb 1.85 0.01 -0.08 0.00 0.50 0.00 0.00 28.75 31.03 2k9a h GLU 51 CO 0.18 0.77 1.34 -0.06 -1.00 0.00 0.00 179.01 180.24 2k9a s PHE 52 N -4.10 2.32 0.03 4.33 0.40 -0.63 -4.96 117.98 115.37 2k9a s PHE 52 Ca -0.06 -0.44 -0.09 0.00 -0.60 0.00 0.00 56.93 55.75 2k9a s PHE 52 Cb 0.13 -4.48 -0.05 0.00 0.51 0.00 0.00 43.02 39.12 2k9a s PHE 52 CO 0.80 -1.83 0.33 -1.21 0.70 0.00 0.00 175.22 174.01 2k9a s GLU 53 N 5.56 3.68 -0.84 0.44 2.02 -1.26 -4.91 118.70 123.39 2k9a s GLU 53 Ca 0.55 0.07 -0.25 0.00 0.02 0.00 0.00 54.97 55.36 2k9a s GLU 53 Cb -0.01 -3.07 -0.01 0.00 0.10 0.00 0.00 34.13 31.14 2k9a s GLU 53 CO -0.04 0.62 1.73 0.34 0.02 0.00 0.00 175.26 177.93 2k9a s ASP 54 N -1.63 5.61 -0.03 -0.19 -1.08 -1.26 -4.92 116.67 113.17 2k9a s ASP 54 Ca 0.29 -0.58 -0.02 0.00 -0.52 0.00 0.00 52.55 51.71 2k9a s ASP 54 Cb -0.14 -2.55 0.01 0.00 -1.46 0.00 0.00 42.92 38.78 2k9a s ASP 54 CO 0.16 -2.26 0.06 0.42 0.52 0.00 0.00 175.17 174.07 2k9a s THR 55 N 8.13 -0.01 0.13 1.71 -4.23 -1.26 -5.05 115.64 115.06 2k9a s THR 55 Ca 0.59 0.03 -0.16 0.00 -1.18 0.00 0.00 61.69 60.97 2k9a s THR 55 Cb -0.07 -0.10 -0.01 0.00 1.34 0.00 0.00 72.50 73.66 2k9a s THR 55 CO 0.04 0.01 1.69 -0.08 -0.54 0.00 0.00 174.62 175.74 2k9a h GLU 56 N 6.20 0.55 -6.53 3.99 4.81 -2.08 -3.42 114.58 118.11 2k9a h GLU 56 Ca -0.27 -0.09 -0.53 0.00 -0.13 0.00 0.00 59.36 58.34 2k9a h GLU 56 Cb 1.20 -0.09 0.03 0.00 0.63 0.00 0.00 28.75 30.51 2k9a h GLU 56 CO 0.47 0.51 0.96 -1.21 -0.73 0.00 0.00 179.01 179.01 2k9a s GLU 57 N -5.63 4.20 0.19 1.92 2.02 -1.26 -4.98 118.70 115.17 2k9a s GLU 57 Ca -0.13 2.38 -0.28 0.00 0.02 0.00 0.00 54.97 56.96 2k9a s GLU 57 Cb 0.10 -3.39 -0.08 0.00 0.10 0.00 0.00 34.13 30.85 2k9a s GLU 57 CO 0.74 -0.69 0.86 1.21 0.02 0.00 0.00 175.26 177.41 2k9a s ASN 58 N 1.87 7.51 0.18 -0.19 2.47 -1.26 -5.07 114.94 120.45 2k9a s ASN 58 Ca 0.73 1.79 0.08 0.00 0.42 0.00 0.00 52.86 55.87 2k9a s ASN 58 Cb -0.42 -2.56 -0.04 0.00 -1.45 0.00 0.00 41.25 36.78 2k9a s ASN 58 CO 0.32 0.16 -0.02 -0.54 -3.72 0.00 0.00 177.10 173.30 2k9a s LYS 59 N -1.03 2.31 0.02 0.43 1.02 -1.26 -5.01 119.74 116.22 2k9a s LYS 59 Ca 0.39 -1.16 0.29 0.00 0.02 0.00 0.00 55.97 55.51 2k9a s LYS 59 Cb -0.24 -2.30 1.18 0.00 -0.52 0.00 0.00 37.83 35.95 2k9a s LYS 59 CO 0.29 0.45 1.90 -0.11 -0.92 0.00 0.00 175.35 176.96 2k9a n LEU 60 N -0.11 0.08 0.28 3.17 7.94 -1.26 -3.32 117.00 123.78 2k9a n LEU 60 Ca -0.10 0.49 0.18 0.00 -1.11 0.00 0.00 56.01 55.47 2k9a n LEU 60 Cb 0.55 -0.48 0.76 0.00 0.53 0.00 0.00 43.42 44.78 2k9a n LEU 60 CO 0.38 -0.01 1.02 -0.29 -1.11 0.00 0.00 177.39 177.37 2k9a h ILE 61 N 0.00 0.00 0.00 1.96 6.09 -2.02 -2.58 117.51 120.96 2k9a h ILE 61 Ca 0.00 -0.44 -0.01 0.00 -1.37 0.00 0.00 64.86 63.05 2k9a h ILE 61 Cb 0.52 1.43 -0.00 0.00 0.47 0.00 0.00 36.82 39.24 2k9a h ILE 61 CO 0.00 0.00 -0.03 1.88 -3.07 0.00 0.00 178.15 176.93 2k9a h TYR 62 N 0.00 0.00 0.10 2.19 0.05 -1.98 -2.84 116.97 114.49 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 0.44 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.18 2k9a h TYR 62 CO 0.00 0.03 -0.05 1.15 -1.05 0.00 0.00 178.16 178.24 2k9a h THR 63 N 0.00 1.09 -0.63 -2.88 2.02 -1.71 -2.68 112.91 108.12 2k9a h THR 63 Ca -0.00 -1.31 -0.08 0.00 0.77 0.00 0.00 66.41 65.80 2k9a h THR 63 Cb 0.52 1.85 -0.03 0.00 -1.74 0.00 0.00 68.15 68.75 2k9a h THR 63 CO 0.00 0.29 0.09 1.55 0.37 0.00 0.00 175.52 177.82 2k9a h PRO 64 N -0.80 1.03 -0.05 6.66 0.13 -1.71 -2.34 132.00 134.92 2k9a h PRO 64 Ca -0.01 -0.27 0.00 0.00 -0.87 0.00 0.00 66.00 64.84 2k9a h PRO 64 Cb 0.58 -0.12 -0.00 0.00 0.13 0.00 0.00 31.00 31.58 2k9a h PRO 64 CO 0.02 0.96 0.03 0.82 -0.23 0.00 0.00 178.00 179.60 2k9a h ILE 65 N 0.97 1.02 -0.86 -3.56 2.04 -1.61 -1.95 117.51 113.57 2k9a h ILE 65 Ca 0.19 -0.06 0.00 0.00 1.00 0.00 0.00 64.86 66.00 2k9a h ILE 65 Cb 0.43 0.97 -0.04 0.00 -0.74 0.00 0.00 36.82 37.44 2k9a h ILE 65 CO 0.01 0.02 0.55 0.15 0.00 0.00 0.00 178.15 178.89 2k9a h PHE 66 N 0.06 1.09 -0.09 1.37 3.57 -1.40 -1.41 116.94 120.13 2k9a h PHE 66 Ca 0.02 0.02 -0.03 0.00 3.53 0.00 0.00 57.97 61.50 2k9a h PHE 66 Cb 0.01 -0.37 -0.01 0.00 2.79 0.00 0.00 35.95 38.37 2k9a h PHE 66 CO -0.07 0.70 -0.11 -0.91 -2.23 0.00 0.00 178.31 175.69 2k9a h ASN 67 N 1.17 0.12 0.44 0.41 2.35 -1.04 -1.84 115.58 117.19 2k9a h ASN 67 Ca 0.31 -0.02 -0.17 0.00 -0.55 0.00 0.00 56.30 55.87 2k9a h ASN 67 Cb -0.11 -0.03 -0.01 0.00 0.05 0.00 0.00 38.32 38.22 2k9a h ASN 67 CO -0.07 0.24 -0.74 -0.08 -1.65 0.00 0.00 177.43 175.14 2k9a h GLU 68 N 0.12 0.24 -0.28 0.81 4.81 -0.50 -2.10 114.58 117.67 2k9a h GLU 68 Ca 0.03 -0.21 -0.15 0.00 -0.13 0.00 0.00 59.36 58.90 2k9a h GLU 68 Cb 0.27 0.05 -0.01 0.00 0.63 0.00 0.00 28.75 29.69 2k9a h GLU 68 CO 0.02 0.87 -0.44 -0.92 -0.73 0.00 0.00 179.01 177.81 2k9a h TYR 69 N 0.16 0.87 0.00 0.92 3.20 -0.85 0.12 116.97 121.39 2k9a h TYR 69 Ca -0.03 -0.27 -0.13 0.00 3.14 0.00 0.00 58.73 61.44 2k9a h TYR 69 Cb 1.30 -0.18 -0.02 0.00 1.54 0.00 0.00 36.73 39.37 2k9a h TYR 69 CO 0.03 1.03 -0.62 0.82 -1.64 0.00 0.00 178.16 177.78 2k9a h ILE 70 N 0.58 1.37 0.00 1.81 1.08 -1.33 0.63 117.51 121.65 2k9a h ILE 70 Ca 0.04 -2.19 -0.24 0.00 -0.39 0.00 0.00 64.86 62.08 2k9a h ILE 70 Cb 0.99 2.20 -0.04 0.00 -3.07 0.00 0.00 36.82 36.91 2k9a h ILE 70 CO 0.09 0.61 -1.33 0.77 -0.69 0.00 0.00 178.15 177.60 2k9a h SER 71 N 0.00 0.00 0.00 1.72 4.64 -1.24 -2.91 113.55 115.77 2k9a h SER 71 Ca -0.01 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.31 2k9a h SER 71 Cb 1.15 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.24 2k9a h SER 71 CO 0.08 0.95 -0.40 -0.11 -0.87 0.00 0.00 176.83 176.48 2k9a n LEU 72 N -3.17 1.35 0.12 5.97 -0.00 0.40 -4.18 117.00 117.49 2k9a n LEU 72 Ca -0.08 0.52 -0.06 0.00 -0.00 0.00 0.00 56.01 56.39 2k9a n LEU 72 Cb 0.98 -0.77 -0.03 0.00 -0.00 0.00 0.00 43.42 43.59 2k9a n LEU 72 CO 0.45 -0.47 0.18 0.58 -0.00 0.00 0.00 177.39 178.13 2k9a h VAL 73 N -0.74 0.00 -0.98 1.96 2.07 -1.07 -1.93 116.25 115.56 2k9a h VAL 73 Ca 0.00 -0.56 0.18 0.00 0.82 0.00 0.00 66.70 67.14 2k9a h VAL 73 Cb 0.40 0.00 -0.09 0.00 -1.52 0.00 0.00 31.29 30.08 2k9a h VAL 73 CO 0.00 0.00 0.61 -0.08 0.02 0.00 0.00 177.57 178.12 2k9a h GLU 74 N -0.94 0.72 -0.04 1.57 4.81 -1.54 0.17 114.58 119.32 2k9a h GLU 74 Ca -0.04 -0.04 -0.15 0.00 -0.13 0.00 0.00 59.36 58.99 2k9a h GLU 74 Cb 0.30 -0.16 -0.01 0.00 0.63 0.00 0.00 28.75 29.50 2k9a h GLU 74 CO 0.06 0.48 -0.66 0.87 -0.73 0.00 0.00 179.01 179.03 2k9a h LYS 75 N 0.74 0.18 0.10 1.92 1.79 -1.62 -2.79 116.57 116.90 2k9a h LYS 75 Ca 0.53 -0.14 0.01 0.00 -2.18 0.00 0.00 60.65 58.88 2k9a h LYS 75 Cb 0.86 0.03 -0.02 0.00 -1.58 0.00 0.00 32.23 31.51 2k9a h LYS 75 CO -0.31 0.78 -0.18 -0.92 -1.08 0.00 0.00 179.45 177.74 2k9a h TYR 76 N 0.13 -0.47 -0.50 -1.35 3.20 0.16 -0.79 116.97 117.35 2k9a h TYR 76 Ca -0.01 0.01 -0.03 0.00 3.14 0.00 0.00 58.73 61.84 2k9a h TYR 76 Cb 1.19 0.20 -0.02 0.00 1.54 0.00 0.00 36.73 39.63 2k9a h TYR 76 CO 0.02 -0.27 0.20 0.82 -1.64 0.00 0.00 178.16 177.29 2k9a h ILE 77 N -0.35 1.21 -0.22 1.81 2.04 -1.50 -2.17 117.51 118.34 2k9a h ILE 77 Ca 0.03 -0.67 0.05 0.00 1.00 0.00 0.00 64.86 65.27 2k9a h ILE 77 Cb 0.37 0.72 -0.05 0.00 -0.74 0.00 0.00 36.82 37.12 2k9a h ILE 77 CO -0.10 0.25 -0.11 -0.08 0.00 0.00 0.00 178.15 178.11 2k9a h GLU 78 N 0.67 -0.08 -0.30 2.37 4.57 -1.21 -0.92 114.58 119.68 2k9a h GLU 78 Ca 0.17 0.01 -0.01 0.00 -1.18 0.00 0.00 59.36 58.34 2k9a h GLU 78 Cb 0.20 0.02 -0.01 0.00 -0.16 0.00 0.00 28.75 28.80 2k9a h GLU 78 CO -0.01 -0.05 0.15 0.93 -1.18 0.00 0.00 179.01 178.84 2k9a h GLU 79 N -0.08 0.43 -0.74 1.92 4.39 -1.06 -1.34 114.58 118.10 2k9a h GLU 79 Ca 0.12 -0.06 0.05 0.00 0.34 0.00 0.00 59.36 59.81 2k9a h GLU 79 Cb 0.26 -0.08 -0.05 0.00 -0.10 0.00 0.00 28.75 28.78 2k9a h GLU 79 CO -0.27 0.40 0.49 1.96 -1.16 0.00 0.00 179.01 180.43 2k9a h GLN 80 N 0.35 0.80 -0.09 2.33 1.08 -1.05 -1.53 115.11 117.00 2k9a h GLN 80 Ca 0.10 -0.05 -0.20 0.00 -1.45 0.00 0.00 58.65 57.05 2k9a h GLN 80 Cb 0.11 -0.18 0.00 0.00 -0.05 0.00 0.00 27.48 27.36 2k9a h GLN 80 CO -0.01 0.53 -0.78 -0.07 -0.95 0.00 0.00 178.83 177.54 2k9a h LEU 81 N 0.82 0.63 -1.86 1.46 3.38 -0.87 -3.03 115.31 115.84 2k9a h LEU 81 Ca 0.31 -0.43 -0.02 0.00 0.09 0.00 0.00 57.88 57.84 2k9a h LEU 81 Cb 0.19 -0.19 -0.00 0.00 0.09 0.00 0.00 40.66 40.75 2k9a h LEU 81 CO -0.10 1.19 -0.09 -0.07 0.09 0.00 0.00 178.44 179.46 2k9a h LEU 82 N 0.35 0.00 -1.99 1.67 3.38 -0.30 0.08 115.31 118.49 2k9a h LEU 82 Ca -0.05 0.00 0.13 0.00 0.09 0.00 0.00 57.88 58.05 2k9a h LEU 82 Cb 1.38 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 42.11 2k9a h LEU 82 CO 0.14 0.09 0.33 1.56 0.09 0.00 0.00 178.44 180.65 2k9a h GLN 83 N 0.00 0.01 0.00 1.13 1.08 -1.21 -2.84 115.11 113.28 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 0.38 -0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.81 2k9a h GLN 83 CO 0.01 0.00 -0.55 0.54 -0.95 0.00 0.00 178.83 177.88 2k9a n ARG 84 N -4.40 3.06 -3.54 1.46 1.74 -1.00 -4.90 116.66 109.07 2k9a n ARG 84 Ca 0.08 0.00 -0.28 0.00 -0.77 0.00 0.00 57.85 56.88 2k9a n ARG 84 Cb 0.53 -0.77 -0.12 0.00 -1.02 0.00 0.00 32.46 31.08 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 -1.54 0.76 -1.69 0.55 1.01 -0.02 -4.96 121.20 115.32 2k9a s ILE 85 Ca 0.00 -2.45 0.16 0.00 0.00 0.00 0.00 60.65 58.37 2k9a s ILE 85 Cb 0.00 -1.53 0.37 0.00 0.01 0.00 0.00 42.46 41.31 2k9a s ILE 85 CO 0.00 -1.05 1.44 -0.81 0.00 0.00 0.00 174.94 174.52 2k9a n PRO 86 N 3.35 0.37 -0.28 2.79 -0.04 -1.18 -2.04 135.00 137.97 2k9a n PRO 86 Ca 0.18 0.07 0.07 0.00 -0.04 0.00 0.00 63.50 63.78 2k9a n PRO 86 Cb 0.40 -1.50 0.19 0.00 -0.04 0.00 0.00 33.50 32.55 2k9a n PRO 86 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 2k9a n GLU 87 N -1.16 2.62 -2.23 0.54 -0.58 -1.26 -5.03 120.64 113.54 2k9a n GLU 87 Ca 0.10 -2.50 -0.36 0.00 -0.42 0.00 0.00 57.16 53.98 2k9a n GLU 87 Cb 0.10 -1.58 -0.00 0.00 -0.57 0.00 0.00 31.44 29.39 2k9a n GLU 87 CO 0.00 0.00 0.00 0.12 -0.48 0.00 0.00 177.13 176.77 2k9a s PHE 88 N -2.27 2.76 -0.43 -0.32 5.36 -0.87 -5.02 117.98 117.19 2k9a s PHE 88 Ca 0.32 1.53 0.03 0.00 -0.96 0.00 0.00 56.93 57.85 2k9a s PHE 88 Cb 0.25 -3.37 0.12 0.00 -0.34 0.00 0.00 43.02 39.69 2k9a s PHE 88 CO 0.08 -1.61 0.20 0.54 -1.46 0.00 0.00 175.22 172.97 2k9a s ASN 89 N -1.51 4.08 0.46 6.13 4.22 -1.26 -4.96 114.94 122.10 2k9a s ASN 89 Ca 0.68 -2.54 0.21 0.00 -2.14 0.00 0.00 52.86 49.07 2k9a s ASN 89 Cb -0.27 -1.29 1.13 0.00 1.28 0.00 0.00 41.25 42.10 2k9a s ASN 89 CO 0.32 -0.29 1.97 -0.03 -2.04 0.00 0.00 177.10 177.02 2k9a h MET 90 N 6.98 0.00 0.49 3.55 4.05 -1.98 -1.02 114.93 127.00 2k9a h MET 90 Ca -0.05 0.00 -0.02 0.00 -0.28 0.00 0.00 59.70 59.34 2k9a h MET 90 Cb 0.94 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.75 2k9a h MET 90 CO 0.55 0.21 -0.23 0.00 0.23 0.00 0.00 176.91 177.67 2k9a h ALA 91 N 1.79 -0.66 0.00 0.39 0.00 -1.99 -2.24 119.26 116.56 2k9a h ALA 91 Ca -0.00 -0.18 -0.09 0.00 0.00 0.00 0.00 54.91 54.63 2k9a h ALA 91 Cb 0.47 0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.50 2k9a h ALA 91 CO 0.03 -0.67 -0.45 0.00 0.00 0.00 0.00 179.25 178.16 2k9a h ALA 92 N -0.85 1.20 -0.06 0.00 0.00 -1.92 -2.78 119.26 114.85 2k9a h ALA 92 Ca -0.07 -0.41 -0.01 0.00 0.00 0.00 0.00 54.91 54.42 2k9a h ALA 92 Cb 0.58 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.30 2k9a h ALA 92 CO 0.11 0.57 0.01 0.35 0.00 0.00 0.00 179.25 180.28 2k9a h PHE 93 N 0.00 0.12 -0.46 0.00 3.57 -1.23 -2.56 116.94 116.38 2k9a h PHE 93 Ca -0.00 -0.02 -0.03 0.00 3.53 0.00 0.00 57.97 61.45 2k9a h PHE 93 Cb 0.82 -0.03 -0.02 0.00 2.79 0.00 0.00 35.95 39.51 2k9a h PHE 93 CO 0.00 0.35 0.18 1.79 -2.23 0.00 0.00 178.31 178.40 2k9a h THR 94 N -0.15 1.21 -0.58 4.41 1.35 -1.37 -0.33 112.91 117.44 2k9a h THR 94 Ca 0.02 -0.65 0.07 0.00 -0.55 0.00 0.00 66.41 65.30 2k9a h THR 94 Cb 0.30 0.77 -0.06 0.00 -1.73 0.00 0.00 68.15 67.43 2k9a h THR 94 CO 0.00 0.24 0.26 0.74 -0.25 0.00 0.00 175.52 176.51 2k9a h THR 95 N 0.61 0.86 -0.01 6.82 2.02 -1.48 -0.64 112.91 121.09 2k9a h THR 95 Ca 0.15 -0.16 -0.16 0.00 0.77 0.00 0.00 66.41 67.01 2k9a h THR 95 Cb 0.20 0.35 -0.02 0.00 -1.74 0.00 0.00 68.15 66.94 2k9a h THR 95 CO -0.01 0.09 -0.73 0.74 0.37 0.00 0.00 175.52 175.97 2k9a h THR 96 N 0.47 1.50 -0.37 3.16 2.02 -1.30 -3.19 112.91 115.20 2k9a h THR 96 Ca 0.28 -2.43 -0.10 0.00 0.77 0.00 0.00 66.41 64.93 2k9a h THR 96 Cb 0.27 2.31 -0.02 0.00 -1.74 0.00 0.00 68.15 68.97 2k9a h THR 96 CO -0.24 0.70 -0.16 0.25 0.37 0.00 0.00 175.52 176.44 2k9a h LEU 97 N 0.04 0.67 -1.50 2.58 6.46 -0.22 -0.46 115.31 122.88 2k9a h LEU 97 Ca -0.01 -0.21 0.23 0.00 -0.12 0.00 0.00 57.88 57.76 2k9a h LEU 97 Cb 1.29 -0.18 -0.07 0.00 -0.73 0.00 0.00 40.66 40.97 2k9a h LEU 97 CO 0.10 0.85 0.63 1.56 -0.62 0.00 0.00 178.44 180.96 2k9a h GLN 98 N 0.61 0.36 0.00 1.25 4.20 -1.13 0.70 115.11 121.10 2k9a h GLN 98 Ca 0.10 -0.02 -0.26 0.00 0.06 0.00 0.00 58.65 58.53 2k9a h GLN 98 Cb 0.62 -0.08 -0.05 0.00 0.30 0.00 0.00 27.48 28.27 2k9a h GLN 98 CO 0.04 0.24 -2.16 -2.39 -0.67 0.00 0.00 178.83 173.89 2k9a n HIS 99 N -4.52 0.00 0.78 2.96 1.44 -1.14 -4.24 115.22 110.50 2k9a n HIS 99 Ca 0.21 0.00 0.09 0.00 -2.01 0.00 0.00 57.72 56.01 2k9a n HIS 99 Cb 0.78 -0.80 0.43 0.00 0.12 0.00 0.00 29.99 30.53 2k9a n HIS 99 CO 0.00 0.00 0.00 1.58 -2.81 0.00 0.00 176.34 175.11 2k9a n HIS 100 N -2.56 0.00 0.30 -1.40 -0.00 -0.19 -2.63 115.22 108.73 2k9a n HIS 100 Ca -0.24 0.00 0.16 0.00 -0.00 0.00 0.00 57.72 57.64 2k9a n HIS 100 Cb 0.97 -0.34 0.75 0.00 -0.00 0.00 0.00 29.99 31.37 2k9a n HIS 100 CO 0.00 0.00 0.00 1.57 -0.00 0.00 0.00 176.34 177.91 2k9a h LYS 101 N 0.00 0.00 0.00 1.57 2.10 -1.07 -1.44 116.57 117.73 2k9a h LYS 101 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 2k9a h LYS 101 Cb 0.20 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.53 2k9a h LYS 101 CO 0.00 0.00 0.00 -0.25 -2.00 0.00 0.00 179.45 177.20 2k9a n ASP 102 N -2.69 0.00 -0.02 7.07 8.00 -1.08 -3.73 116.55 124.11 2k9a n ASP 102 Ca -0.00 -0.41 -0.06 0.00 0.71 0.00 0.00 54.79 55.03 2k9a n ASP 102 Cb 0.17 -0.12 -0.02 0.00 -0.02 0.00 0.00 41.12 41.13 2k9a n ASP 102 CO 0.00 0.00 0.00 1.21 -0.39 0.00 0.00 177.20 178.02 2k9a n GLU 103 N -1.12 0.12 -0.36 -1.24 2.13 -0.56 -5.07 120.64 114.54 2k9a n GLU 103 Ca 0.14 0.05 -0.08 0.00 0.66 0.00 0.00 57.16 57.94 2k9a n GLU 103 Cb 0.12 -0.71 0.06 0.00 0.27 0.00 0.00 31.44 31.18 2k9a n GLU 103 CO 0.00 0.00 0.00 1.33 -0.41 0.00 0.00 177.13 178.05 2k9a n VAL 104 N -3.36 0.00 -2.28 6.31 0.24 -1.14 -4.92 118.33 113.18 2k9a n VAL 104 Ca -0.10 -0.18 -0.42 0.00 -2.04 0.00 0.00 64.34 61.60 2k9a n VAL 104 Cb 0.49 -1.39 -0.02 0.00 -1.47 0.00 0.00 33.84 31.44 2k9a n VAL 104 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2k9a s ALA 105 N -3.41 2.86 0.38 2.33 0.00 -1.26 -4.87 121.76 117.80 2k9a s ALA 105 Ca 0.19 -0.30 0.12 0.00 0.00 0.00 0.00 51.96 51.97 2k9a s ALA 105 Cb -0.01 -4.04 0.77 0.00 0.00 0.00 0.00 23.12 19.84 2k9a s ALA 105 CO 0.14 -2.74 1.87 0.78 0.00 0.00 0.00 175.76 175.80 2k9a h GLY 106 N 13.11 0.06 1.06 0.00 0.00 -1.92 -2.75 103.07 112.63 2k9a h GLY 106 Ca -0.28 -0.05 -0.07 0.00 0.00 0.00 0.00 47.33 46.94 2k9a h GLY 106 CO 1.12 0.04 0.19 -0.55 0.00 0.00 0.00 176.54 177.34 2k9a h ASP 107 N 0.05 1.07 -0.01 0.19 3.32 -1.95 0.15 116.42 119.24 2k9a h ASP 107 Ca 0.01 -0.23 -0.01 0.00 0.02 0.00 0.00 57.03 56.82 2k9a h ASP 107 Cb 0.55 -0.28 -0.00 0.00 0.22 0.00 0.00 39.33 39.82 2k9a h ASP 107 CO 0.04 1.02 -0.02 0.40 -1.72 0.00 0.00 179.24 178.96 2k9a h ILE 108 N 1.07 1.42 0.00 0.35 2.04 -1.93 -3.15 117.51 117.31 2k9a h ILE 108 Ca 0.23 -1.25 -0.04 0.00 1.00 0.00 0.00 64.86 64.80 2k9a h ILE 108 Cb 0.35 2.24 -0.01 0.00 -0.74 0.00 0.00 36.82 38.66 2k9a h ILE 108 CO -0.00 0.33 -0.18 0.15 0.00 0.00 0.00 178.15 178.45 2k9a h PHE 109 N -0.48 0.00 -1.11 1.37 3.57 -1.47 -2.64 116.94 116.17 2k9a h PHE 109 Ca 0.00 0.00 0.31 0.00 3.53 0.00 0.00 57.97 61.81 2k9a h PHE 109 Cb 0.55 0.00 -0.06 0.00 2.79 0.00 0.00 35.95 39.22 2k9a h PHE 109 CO 0.11 0.18 0.77 0.22 -2.23 0.00 0.00 178.31 177.36 2k9a h ASP 110 N 0.00 0.15 -0.04 0.41 1.82 -0.91 0.27 116.42 118.12 2k9a h ASP 110 Ca -0.00 0.03 -0.04 0.00 -0.39 0.00 0.00 57.03 56.63 2k9a h ASP 110 Cb 0.34 0.01 0.00 0.00 0.68 0.00 0.00 39.33 40.36 2k9a h ASP 110 CO 0.02 0.02 -0.13 -0.03 -1.61 0.00 0.00 179.24 177.52 2k9a h MET 111 N 0.13 0.16 0.00 0.28 4.05 -1.60 -3.16 114.93 114.79 2k9a h MET 111 Ca 0.57 -0.12 -0.01 0.00 -0.28 0.00 0.00 59.70 59.86 2k9a h MET 111 Cb 1.97 0.02 -0.00 0.00 -0.80 0.00 0.00 31.60 32.79 2k9a h MET 111 CO -0.11 0.75 -0.03 -0.07 0.23 0.00 0.00 176.91 177.67 2k9a h LEU 112 N -0.40 0.00 -1.82 3.39 3.38 -0.72 -2.77 115.31 116.37 2k9a h LEU 112 Ca -0.01 0.00 0.22 0.00 0.09 0.00 0.00 57.88 58.18 2k9a h LEU 112 Cb 0.76 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.48 2k9a h LEU 112 CO 0.03 0.03 0.70 -0.07 0.09 0.00 0.00 178.44 179.22 2k9a h LEU 113 N 0.00 0.00 0.00 1.67 3.38 -0.85 0.42 115.31 119.92 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 0.20 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.95 2k9a h LEU 113 CO 0.00 0.00 0.02 0.35 0.09 0.00 0.00 178.44 178.90 2k9a n THR 114 N -3.78 0.40 0.25 0.22 -2.24 -1.05 -1.24 114.28 106.85 2k9a n THR 114 Ca 0.15 0.12 0.10 0.00 -2.27 0.00 0.00 64.05 62.16 2k9a n THR 114 Cb 0.96 -1.12 0.66 0.00 -2.10 0.00 0.00 70.33 68.73 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 -1.19 -3.40 116.94 117.17 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 0.04 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.19 2k9a h PHE 115 CO 0.00 0.14 0.00 -2.37 -0.60 0.00 0.00 178.31 175.48 2k9a n THR 116 N -3.84 0.00 -1.93 -1.55 5.66 -0.84 -5.03 114.28 106.74 2k9a n THR 116 Ca -0.02 0.00 -0.24 0.00 -3.05 0.00 0.00 64.05 60.74 2k9a n THR 116 Cb 0.24 0.00 -0.07 0.00 -1.55 0.00 0.00 70.33 68.96 2k9a n THR 116 CO 0.00 0.00 0.00 -1.81 -3.05 0.00 0.00 175.07 170.21 2k9a s ASP 117 N -0.73 4.70 0.49 1.09 1.11 -0.37 -4.75 116.67 118.22 2k9a s ASP 117 Ca 0.00 -0.95 0.16 0.00 0.18 0.00 0.00 52.55 51.95 2k9a s ASP 117 Cb 0.00 -2.57 1.20 0.00 1.07 0.00 0.00 42.92 42.61 2k9a s ASP 117 CO 0.00 -3.28 2.07 0.15 1.18 0.00 0.00 175.17 175.29 2k9a h PHE 118 N 11.00 0.15 -0.77 4.23 3.57 -1.89 -1.41 116.94 131.82 2k9a h PHE 118 Ca 0.11 0.00 0.01 0.00 3.53 0.00 0.00 57.97 61.62 2k9a h PHE 118 Cb 0.98 -0.05 -0.04 0.00 2.79 0.00 0.00 35.95 39.63 2k9a h PHE 118 CO 1.18 0.08 0.50 -0.07 -2.23 0.00 0.00 178.31 177.78 2k9a h LEU 119 N 0.15 0.89 -0.52 0.59 3.38 -1.97 -1.46 115.31 116.36 2k9a h LEU 119 Ca 0.12 -0.03 -0.11 0.00 0.09 0.00 0.00 57.88 57.96 2k9a h LEU 119 Cb 0.31 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.82 2k9a h LEU 119 CO -0.02 0.65 -0.50 0.00 0.09 0.00 0.00 178.44 178.66 2k9a h ALA 120 N 1.28 0.82 0.30 1.53 0.00 -1.66 -2.70 119.26 118.82 2k9a h ALA 120 Ca 0.28 -0.46 -0.01 0.00 0.00 0.00 0.00 54.91 54.72 2k9a h ALA 120 Cb -0.11 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.60 2k9a h ALA 120 CO -0.06 0.63 -0.14 0.35 0.00 0.00 0.00 179.25 180.02 2k9a h PHE 121 N 0.00 -0.37 -0.26 0.00 3.57 -0.65 -1.15 116.94 118.07 2k9a h PHE 121 Ca -0.01 -0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.47 2k9a h PHE 121 Cb 1.17 0.12 -0.01 0.00 2.79 0.00 0.00 35.95 40.02 2k9a h PHE 121 CO 0.00 -0.04 0.10 -0.22 -2.23 0.00 0.00 178.31 175.92 2k9a h LYS 122 N -0.76 0.39 0.00 1.11 3.64 -1.37 -2.40 116.57 117.18 2k9a h LYS 122 Ca -0.04 -0.07 -0.01 0.00 -1.27 0.00 0.00 60.65 59.26 2k9a h LYS 122 Cb 0.50 -0.06 -0.00 0.00 -0.41 0.00 0.00 32.23 32.26 2k9a h LYS 122 CO 0.07 0.43 -0.04 0.93 -2.27 0.00 0.00 179.45 178.56 2k9a h GLU 123 N 0.27 0.00 -0.18 1.90 4.39 -1.54 -1.84 114.58 117.59 2k9a h GLU 123 Ca 0.09 0.00 -0.03 0.00 0.34 0.00 0.00 59.36 59.76 2k9a h GLU 123 Cb 0.18 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.83 2k9a h GLU 123 CO -0.01 0.04 -0.01 1.98 -1.16 0.00 0.00 179.01 179.86 2k9a h MET 124 N 0.00 0.32 -0.31 2.33 4.05 -0.70 -0.72 114.93 119.89 2k9a h MET 124 Ca -0.00 -0.11 -0.06 0.00 -0.28 0.00 0.00 59.70 59.26 2k9a h MET 124 Cb 0.08 -0.03 -0.01 0.00 -0.80 0.00 0.00 31.60 30.85 2k9a h MET 124 CO 0.01 0.54 -0.02 0.74 0.23 0.00 0.00 176.91 178.40 2k9a h PHE 125 N 0.06 0.61 -0.24 1.39 0.04 -1.19 -2.00 116.94 115.62 2k9a h PHE 125 Ca 0.05 -0.12 -0.05 0.00 2.80 0.00 0.00 57.97 60.65 2k9a h PHE 125 Cb 0.41 -0.16 -0.01 0.00 2.20 0.00 0.00 35.95 38.38 2k9a h PHE 125 CO 0.04 0.71 -0.08 -0.07 -0.60 0.00 0.00 178.31 178.31 2k9a h LEU 126 N 0.34 0.35 -0.25 1.54 4.07 -1.36 -2.21 115.31 117.80 2k9a h LEU 126 Ca 0.08 -0.07 -0.08 0.00 0.08 0.00 0.00 57.88 57.89 2k9a h LEU 126 Cb 0.48 -0.09 -0.01 0.00 1.08 0.00 0.00 40.66 42.12 2k9a h LEU 126 CO 0.02 0.48 -0.15 -0.78 -1.08 0.00 0.00 178.44 176.92 2k9a h ASP 127 N 0.36 0.57 -0.42 -0.43 3.58 -0.96 -2.34 116.42 116.77 2k9a h ASP 127 Ca 0.07 -0.43 0.01 0.00 0.42 0.00 0.00 57.03 57.11 2k9a h ASP 127 Cb 0.37 -0.16 -0.02 0.00 1.72 0.00 0.00 39.33 41.24 2k9a h ASP 127 CO 0.02 0.87 0.27 0.22 -2.88 0.00 0.00 179.24 177.74 2k9a h TYR 128 N 0.26 0.50 -0.43 0.28 3.20 -1.09 -2.67 116.97 117.02 2k9a h TYR 128 Ca 0.05 0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.94 2k9a h TYR 128 Cb 0.67 -0.17 -0.02 0.00 1.54 0.00 0.00 36.73 38.75 2k9a h TYR 128 CO 0.07 0.31 0.28 -0.09 -1.64 0.00 0.00 178.16 177.09 2k9a h ARG 129 N 0.54 0.57 -0.46 1.82 2.43 -1.39 0.11 114.38 118.00 2k9a h ARG 129 Ca 0.16 -0.03 0.09 0.00 -0.81 0.00 0.00 59.98 59.38 2k9a h ARG 129 Cb -0.04 -0.13 -0.08 0.00 -0.42 0.00 0.00 29.97 29.31 2k9a h ARG 129 CO -0.05 0.37 -0.04 0.00 -1.51 0.00 0.00 179.97 178.75 2k9a h ALA 130 N 1.16 0.39 0.00 2.80 0.00 -1.12 -0.62 119.26 121.87 2k9a h ALA 130 Ca 0.16 0.15 -0.06 0.00 0.00 0.00 0.00 54.91 55.16 2k9a h ALA 130 Cb -0.07 0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 2k9a h ALA 130 CO -0.03 -0.41 -0.27 0.93 0.00 0.00 0.00 179.25 179.47 2k9a h GLU 131 N 0.07 0.00 0.00 0.00 3.07 -1.25 -3.05 114.58 113.43 2k9a h GLU 131 Ca 0.23 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.09 2k9a h GLU 131 Cb 0.34 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.25 2k9a h GLU 131 CO -0.41 0.27 0.00 1.57 -1.40 0.00 0.00 179.01 179.04 2k9a h LYS 132 N 0.00 0.00 -0.11 2.33 5.09 0.78 -2.70 116.57 121.96 2k9a h LYS 132 Ca -0.00 0.00 0.03 0.00 0.09 0.00 0.00 60.65 60.77 2k9a h LYS 132 Cb 1.03 0.00 -0.00 0.00 0.10 0.00 0.00 32.23 33.36 2k9a h LYS 132 CO 0.03 0.00 0.14 1.05 -2.09 0.00 0.00 179.45 178.58 2k9a h GLU 133 N 0.00 0.00 -5.06 0.07 4.11 -1.29 -3.47 114.58 108.94 2k9a h GLU 133 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 2k9a h GLU 133 Cb 0.43 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.68 2k9a h GLU 133 CO 0.00 0.00 -0.90 0.41 0.07 0.00 0.00 179.01 178.59 2k9a n GLY 134 N -1.35 -3.94 3.62 1.06 0.00 -1.02 -4.99 105.19 98.56 2k9a n GLY 134 Ca -0.00 0.52 -0.28 0.00 0.00 0.00 0.00 46.02 46.26 2k9a n GLY 134 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2k9a s ARG 135 N -1.68 -0.02 0.00 1.61 1.70 -1.26 -5.18 118.95 114.12 2k9a s ARG 135 Ca 0.03 0.60 0.00 0.00 -0.47 0.00 0.00 55.73 55.88 2k9a s ARG 135 Cb -0.01 -1.68 0.00 0.00 -0.57 0.00 0.00 34.95 32.69 2k9a s ARG 135 CO 0.75 -3.05 0.00 0.41 -1.08 0.00 0.00 175.30 172.33