#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 1.25 -3.96 6.12 9.92 -1.26 -5.04 116.55 123.58 2k9a n ASP 2 Ca 0.00 0.24 -0.16 0.00 -0.53 0.00 0.00 54.79 54.34 2k9a n ASP 2 Cb 0.00 -0.66 -0.14 0.00 -0.64 0.00 0.00 41.12 39.67 2k9a n ASP 2 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2k9a s ALA 3 N -2.93 0.43 -0.89 2.24 0.00 -1.26 -5.02 121.76 114.33 2k9a s ALA 3 Ca -0.18 -0.24 0.22 0.00 0.00 0.00 0.00 51.96 51.76 2k9a s ALA 3 Cb 0.02 -0.10 0.89 0.00 0.00 0.00 0.00 23.12 23.94 2k9a s ALA 3 CO 0.27 0.10 1.69 1.28 0.00 0.00 0.00 175.76 179.09 2k9a n LEU 4 N 2.89 0.19 -0.21 0.00 4.77 -1.26 -3.42 117.00 119.96 2k9a n LEU 4 Ca -0.13 0.53 0.00 0.00 -0.03 0.00 0.00 56.01 56.38 2k9a n LEU 4 Cb 0.58 -0.49 0.00 0.00 -2.33 0.00 0.00 43.42 41.18 2k9a n LEU 4 CO 0.25 -0.21 0.22 -1.84 -1.33 0.00 0.00 177.39 174.49 2k9a n GLU 5 N -1.70 0.00 -1.55 3.23 0.28 -1.26 -5.02 120.64 114.63 2k9a n GLU 5 Ca 0.05 -0.59 -0.35 0.00 -0.16 0.00 0.00 57.16 56.11 2k9a n GLU 5 Cb 0.26 -0.41 -0.05 0.00 1.43 0.00 0.00 31.44 32.67 2k9a n GLU 5 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 2k9a n GLY 6 N 0.00 0.09 3.28 -1.84 0.00 -1.22 -2.79 105.19 102.71 2k9a n GLY 6 Ca 0.00 0.67 -0.14 0.00 0.00 0.00 0.00 46.02 46.55 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 8.92 -1.80 -3.63 1.61 -0.58 -1.26 -4.97 120.64 118.93 2k9a n GLU 7 Ca 0.41 0.98 -0.08 0.00 -0.42 0.00 0.00 57.16 58.05 2k9a n GLU 7 Cb 0.49 -5.42 -0.09 0.00 -0.57 0.00 0.00 31.44 25.85 2k9a n GLU 7 CO 0.00 0.00 0.00 -1.12 -0.48 0.00 0.00 177.13 175.53 2k9a s SER 8 N -3.27 -0.26 -0.11 1.62 0.01 -1.12 -5.06 113.70 105.51 2k9a s SER 8 Ca 0.31 0.96 -0.22 0.00 1.31 0.00 0.00 55.95 58.32 2k9a s SER 8 Cb -0.06 1.37 -0.19 0.00 0.21 0.00 0.00 66.02 67.36 2k9a s SER 8 CO 0.77 -0.24 0.68 0.15 0.41 0.00 0.00 173.24 175.01 2k9a h PHE 9 N 8.17 -0.04 -2.53 2.43 3.57 -1.96 -3.47 116.94 123.11 2k9a h PHE 9 Ca -0.16 -0.00 -0.09 0.00 3.53 0.00 0.00 57.97 61.25 2k9a h PHE 9 Cb 1.11 0.01 -0.26 0.00 2.79 0.00 0.00 35.95 39.61 2k9a h PHE 9 CO 0.27 0.64 -0.26 0.00 -2.23 0.00 0.00 178.31 176.73 2k9a s ALA 10 N -2.71 -1.19 0.07 2.41 0.00 -1.26 -5.17 121.76 113.92 2k9a s ALA 10 Ca -0.14 1.67 0.04 0.00 0.00 0.00 0.00 51.96 53.53 2k9a s ALA 10 Cb -0.01 -1.04 -0.03 0.00 0.00 0.00 0.00 23.12 22.03 2k9a s ALA 10 CO 0.52 -0.33 -0.12 -0.48 0.00 0.00 0.00 175.76 175.35 2k9a s LEU 11 N 1.55 2.29 0.00 0.00 0.05 -1.26 -5.10 118.68 116.21 2k9a s LEU 11 Ca -0.09 -0.63 0.00 0.00 0.05 0.00 0.00 54.13 53.47 2k9a s LEU 11 Cb -0.08 -0.42 0.00 0.00 -2.05 0.00 0.00 46.19 43.64 2k9a s LEU 11 CO -0.14 -0.12 0.00 -1.20 -0.55 0.00 0.00 176.35 174.34 2k9a n SER 12 N 1.23 -5.21 -2.69 1.48 7.64 -1.26 -4.99 113.62 109.82 2k9a n SER 12 Ca -0.21 0.16 -0.04 0.00 1.01 0.00 0.00 58.87 59.80 2k9a n SER 12 Cb 0.55 -0.47 -0.03 0.00 -1.01 0.00 0.00 64.21 63.24 2k9a n SER 12 CO 0.00 0.00 0.00 0.49 -3.01 0.00 0.00 175.04 172.52 2k9a n PHE 13 N -1.89 -3.98 0.00 1.43 3.72 -1.26 -5.02 117.46 110.45 2k9a n PHE 13 Ca 0.00 2.14 0.00 0.00 -0.05 0.00 0.00 57.45 59.54 2k9a n PHE 13 Cb 0.07 -3.72 0.00 0.00 -0.94 0.00 0.00 39.48 34.89 2k9a n PHE 13 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 2k9a n SER 14 N 1.43 1.03 0.09 4.37 2.88 -1.26 -4.83 113.62 117.34 2k9a n SER 14 Ca -0.26 0.00 -0.05 0.00 -1.33 0.00 0.00 58.87 57.23 2k9a n SER 14 Cb 0.41 0.00 0.01 0.00 -0.75 0.00 0.00 64.21 63.88 2k9a n SER 14 CO 0.00 0.00 0.00 0.77 -1.23 0.00 0.00 175.04 174.58 2k9a h SER 15 N 0.00 0.04 0.00 -3.46 4.64 -1.95 -3.12 113.55 109.70 2k9a h SER 15 Ca 0.00 -0.03 0.00 0.00 -0.47 0.00 0.00 61.79 61.29 2k9a h SER 15 Cb 0.29 -0.01 0.00 0.00 -0.31 0.00 0.00 62.40 62.36 2k9a h SER 15 CO 0.00 0.86 0.01 0.00 -0.87 0.00 0.00 176.83 176.83 2k9a n ALA 16 N -2.39 1.00 -1.67 5.18 0.00 -1.26 0.44 120.51 121.81 2k9a n ALA 16 Ca -0.01 0.09 0.05 0.00 0.00 0.00 0.00 53.44 53.57 2k9a n ALA 16 Cb 0.80 -1.13 0.08 0.00 0.00 0.00 0.00 19.45 19.20 2k9a n ALA 16 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2k9a n SER 17 N -1.85 1.25 0.00 0.00 2.88 -1.18 -4.25 113.62 110.47 2k9a n SER 17 Ca -0.01 -2.68 0.00 0.00 -1.33 0.00 0.00 58.87 54.85 2k9a n SER 17 Cb 0.03 -0.35 0.00 0.00 -0.75 0.00 0.00 64.21 63.14 2k9a n SER 17 CO 0.00 0.00 0.00 -0.67 -1.23 0.00 0.00 175.04 173.14 2k9a n ASP 18 N -0.62 0.00 0.23 -3.46 2.03 -0.22 -4.92 116.55 109.59 2k9a n ASP 18 Ca 0.09 0.00 -0.13 0.00 0.52 0.00 0.00 54.79 55.27 2k9a n ASP 18 Cb 0.74 0.00 -0.07 0.00 -0.72 0.00 0.00 41.12 41.07 2k9a n ASP 18 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2k9a h ALA 19 N 1.58 -0.62 -0.88 -1.67 0.00 -1.71 -2.05 119.26 113.91 2k9a h ALA 19 Ca 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.72 2k9a h ALA 19 Cb 0.00 0.24 -0.04 0.00 0.00 0.00 0.00 17.79 17.99 2k9a h ALA 19 CO 0.00 -0.67 0.56 1.49 0.00 0.00 0.00 179.25 180.63 2k9a h GLU 20 N -0.98 1.17 0.33 0.00 4.57 -0.35 -1.60 114.58 117.73 2k9a h GLU 20 Ca -0.06 -0.08 -0.01 0.00 -1.18 0.00 0.00 59.36 58.02 2k9a h GLU 20 Cb 0.58 -0.26 -0.01 0.00 -0.16 0.00 0.00 28.75 28.91 2k9a h GLU 20 CO 0.10 0.79 -0.21 0.35 -1.18 0.00 0.00 179.01 178.87 2k9a h PHE 21 N 1.20 -0.55 -0.79 0.92 3.57 -1.34 -1.60 116.94 118.35 2k9a h PHE 21 Ca 0.32 -0.01 0.06 0.00 3.53 0.00 0.00 57.97 61.88 2k9a h PHE 21 Cb -0.10 0.20 -0.05 0.00 2.79 0.00 0.00 35.95 38.78 2k9a h PHE 21 CO -0.01 -0.32 0.52 0.22 -2.23 0.00 0.00 178.31 176.49 2k9a h ASP 22 N -0.52 0.76 -0.26 0.41 3.58 -1.19 -2.01 116.42 117.20 2k9a h ASP 22 Ca -0.03 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.42 2k9a h ASP 22 Cb 0.43 -0.16 -0.01 0.00 1.72 0.00 0.00 39.33 41.31 2k9a h ASP 22 CO 0.03 0.49 0.16 0.00 -2.88 0.00 0.00 179.24 177.05 2k9a h ALA 23 N 1.57 0.32 -0.89 -0.78 0.00 -0.84 -2.53 119.26 116.11 2k9a h ALA 23 Ca 0.34 -0.03 0.06 0.00 0.00 0.00 0.00 54.91 55.28 2k9a h ALA 23 Cb 0.22 -0.10 -0.06 0.00 0.00 0.00 0.00 17.79 17.84 2k9a h ALA 23 CO -0.12 -0.18 0.56 0.28 0.00 0.00 0.00 179.25 179.78 2k9a h VAL 24 N 0.33 1.05 -0.51 0.00 2.07 -0.58 -2.06 116.25 116.54 2k9a h VAL 24 Ca 0.09 -0.35 0.05 0.00 0.82 0.00 0.00 66.70 67.32 2k9a h VAL 24 Cb -0.01 -0.05 -0.05 0.00 -1.52 0.00 0.00 31.29 29.66 2k9a h VAL 24 CO -0.02 0.18 0.24 0.58 0.02 0.00 0.00 177.57 178.57 2k9a h VAL 25 N 1.01 0.91 -0.39 2.57 2.07 -1.05 -1.07 116.25 120.30 2k9a h VAL 25 Ca 0.39 -0.16 0.02 0.00 0.82 0.00 0.00 66.70 67.76 2k9a h VAL 25 Cb 0.17 0.41 -0.03 0.00 -1.52 0.00 0.00 31.29 30.33 2k9a h VAL 25 CO -0.17 0.08 0.23 1.23 0.02 0.00 0.00 177.57 178.96 2k9a h GLY 26 N 0.46 0.54 1.02 2.17 0.00 -1.04 -2.13 103.07 104.09 2k9a h GLY 26 Ca 0.23 -0.18 0.00 0.00 0.00 0.00 0.00 47.33 47.39 2k9a h GLY 26 CO -0.19 0.16 0.59 -0.97 0.00 0.00 0.00 176.54 176.12 2k9a h TYR 27 N 0.47 1.21 -0.79 5.60 0.05 -1.06 -2.29 116.97 120.17 2k9a h TYR 27 Ca 0.15 0.01 0.03 0.00 0.05 0.00 0.00 58.73 58.97 2k9a h TYR 27 Cb 0.00 -0.40 -0.05 0.00 1.01 0.00 0.00 36.73 37.29 2k9a h TYR 27 CO -0.07 0.79 0.51 -0.07 -1.05 0.00 0.00 178.16 178.27 2k9a h LEU 28 N 1.28 0.85 -0.31 3.88 3.38 -0.74 -2.45 115.31 121.21 2k9a h LEU 28 Ca 0.34 -0.01 0.02 0.00 0.09 0.00 0.00 57.88 58.32 2k9a h LEU 28 Cb -0.09 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.44 2k9a h LEU 28 CO -0.07 0.60 0.16 -0.33 0.09 0.00 0.00 178.44 178.89 2k9a h GLU 29 N 1.01 0.33 -0.45 1.13 5.08 -0.83 -0.36 114.58 120.48 2k9a h GLU 29 Ca 0.31 -0.02 0.07 0.00 -1.00 0.00 0.00 59.36 58.72 2k9a h GLU 29 Cb -0.02 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.13 2k9a h GLU 29 CO -0.10 0.22 0.31 -0.44 -1.00 0.00 0.00 179.01 177.99 2k9a h ASP 30 N 0.34 0.28 0.12 1.42 3.32 -1.15 -1.73 116.42 119.02 2k9a h ASP 30 Ca 0.13 0.00 -0.27 0.00 0.02 0.00 0.00 57.03 56.91 2k9a h ASP 30 Cb 0.03 -0.06 0.02 0.00 0.22 0.00 0.00 39.33 39.54 2k9a h ASP 30 CO -0.08 0.18 -1.08 0.40 -1.72 0.00 0.00 179.24 176.94 2k9a h ILE 31 N 0.32 1.31 -0.00 0.35 2.04 -0.89 -1.90 117.51 118.74 2k9a h ILE 31 Ca 0.20 -2.36 -0.02 0.00 1.00 0.00 0.00 64.86 63.67 2k9a h ILE 31 Cb 0.38 2.48 -0.00 0.00 -0.74 0.00 0.00 36.82 38.94 2k9a h ILE 31 CO -0.05 0.72 -0.11 0.40 0.00 0.00 0.00 178.15 179.12 2k9a h ILE 32 N 0.33 1.08 -0.44 -0.67 2.04 -0.23 -1.83 117.51 117.79 2k9a h ILE 32 Ca -0.14 -0.39 0.00 0.00 1.00 0.00 0.00 64.86 65.34 2k9a h ILE 32 Cb 1.74 1.21 0.00 0.00 -0.74 0.00 0.00 36.82 39.03 2k9a h ILE 32 CO 0.21 0.11 0.00 0.23 0.00 0.00 0.00 178.15 178.70 2k9a n MET 33 N -4.41 3.02 -2.43 2.37 2.81 -0.86 -4.81 117.12 112.81 2k9a n MET 33 Ca -0.03 -2.42 -0.40 0.00 -1.81 0.00 0.00 57.70 53.04 2k9a n MET 33 Cb 0.19 -1.52 -0.04 0.00 -0.71 0.00 0.00 33.22 31.14 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 -1.14 7.13 0.12 7.83 2.15 -0.69 -4.95 116.67 127.12 2k9a s ASP 34 Ca 0.35 2.31 -0.20 0.00 0.43 0.00 0.00 52.55 55.43 2k9a s ASP 34 Cb 0.21 -2.63 -0.06 0.00 -0.30 0.00 0.00 42.92 40.14 2k9a s ASP 34 CO 0.19 -0.24 1.74 -0.78 -0.17 0.00 0.00 175.17 175.90 2k9a h ASP 35 N 3.60 0.01 -0.02 -0.34 1.82 -1.88 -1.36 116.42 118.24 2k9a h ASP 35 Ca -0.47 0.02 0.01 0.00 -0.39 0.00 0.00 57.03 56.20 2k9a h ASP 35 Cb 1.21 0.03 -0.00 0.00 0.68 0.00 0.00 39.33 41.26 2k9a h ASP 35 CO 0.66 0.03 0.02 -0.33 -1.61 0.00 0.00 179.24 178.01 2k9a h GLU 36 N 0.09 0.00 -0.02 0.28 4.39 -1.94 -1.76 114.58 115.63 2k9a h GLU 36 Ca 0.07 0.00 -0.05 0.00 0.34 0.00 0.00 59.36 59.71 2k9a h GLU 36 Cb 0.06 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.72 2k9a h GLU 36 CO -0.09 0.00 -0.20 0.35 -1.16 0.00 0.00 179.01 177.91 2k9a h PHE 37 N 0.00 0.24 -0.42 4.33 3.57 -1.54 -2.43 116.94 120.68 2k9a h PHE 37 Ca 0.01 -0.12 -0.04 0.00 3.53 0.00 0.00 57.97 61.35 2k9a h PHE 37 Cb 0.05 -0.03 -0.02 0.00 2.79 0.00 0.00 35.95 38.74 2k9a h PHE 37 CO 0.00 0.87 0.09 1.96 -2.23 0.00 0.00 178.31 179.00 2k9a h GLN 38 N -0.46 0.64 -0.04 1.11 1.08 -0.86 0.20 115.11 116.77 2k9a h GLN 38 Ca -0.02 -0.12 -0.01 0.00 -1.45 0.00 0.00 58.65 57.05 2k9a h GLN 38 Cb 0.91 -0.10 -0.00 0.00 -0.05 0.00 0.00 27.48 28.24 2k9a h GLN 38 CO 0.04 0.59 -0.02 1.25 -0.95 0.00 0.00 178.83 179.74 2k9a h LEU 39 N 0.62 0.09 -1.15 1.46 7.12 -1.39 -1.62 115.31 120.43 2k9a h LEU 39 Ca 0.14 -0.42 -0.07 0.00 0.13 0.00 0.00 57.88 57.67 2k9a h LEU 39 Cb 0.25 -0.02 -0.01 0.00 -0.53 0.00 0.00 40.66 40.35 2k9a h LEU 39 CO -0.00 0.48 -0.32 0.25 -0.13 0.00 0.00 178.44 178.72 2k9a h LEU 40 N -0.31 0.00 0.09 2.25 6.46 -1.27 -1.98 115.31 120.56 2k9a h LEU 40 Ca 0.01 0.00 -0.00 0.00 -0.12 0.00 0.00 57.88 57.76 2k9a h LEU 40 Cb 0.45 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.38 2k9a h LEU 40 CO 0.01 0.32 -0.05 -0.61 -0.62 0.00 0.00 178.44 177.49 2k9a h GLN 41 N 0.00 -0.12 -0.29 1.25 4.15 -0.53 -2.70 115.11 116.87 2k9a h GLN 41 Ca -0.00 0.01 -0.08 0.00 0.77 0.00 0.00 58.65 59.34 2k9a h GLN 41 Cb 0.76 0.03 -0.02 0.00 0.21 0.00 0.00 27.48 28.46 2k9a h GLN 41 CO 0.04 0.40 -0.17 0.00 -1.93 0.00 0.00 178.83 177.17 2k9a h ARG 42 N -0.77 0.52 -0.18 1.69 2.47 -1.31 0.26 114.38 117.05 2k9a h ARG 42 Ca -0.01 -0.17 -0.02 0.00 -1.26 0.00 0.00 59.98 58.52 2k9a h ARG 42 Cb 0.57 -0.05 -0.01 0.00 -1.65 0.00 0.00 29.97 28.84 2k9a h ARG 42 CO 0.02 0.67 0.04 -0.97 0.56 0.00 0.00 179.97 180.29 2k9a h ASN 43 N 0.47 0.28 0.02 7.04 -0.73 -1.43 -2.00 115.58 119.23 2k9a h ASN 43 Ca 0.08 -0.25 -0.04 0.00 1.87 0.00 0.00 56.30 57.96 2k9a h ASN 43 Cb 0.57 -0.07 0.00 0.00 0.27 0.00 0.00 38.32 39.09 2k9a h ASN 43 CO 0.04 0.45 -0.18 -0.26 -0.37 0.00 0.00 177.43 177.11 2k9a h PHE 44 N 0.09 0.14 -0.15 0.67 -1.00 -1.42 -3.29 116.94 111.99 2k9a h PHE 44 Ca 0.06 -0.09 0.04 0.00 2.81 0.00 0.00 57.97 60.79 2k9a h PHE 44 Cb 0.29 -0.01 -0.01 0.00 3.61 0.00 0.00 35.95 39.83 2k9a h PHE 44 CO 0.01 1.00 0.15 0.52 -1.61 0.00 0.00 178.31 178.39 2k9a h MET 45 N -0.76 0.00 -0.37 1.51 2.86 -1.03 -0.71 114.93 116.43 2k9a h MET 45 Ca -0.03 0.00 0.08 0.00 -2.06 0.00 0.00 59.70 57.69 2k9a h MET 45 Cb 1.07 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.71 2k9a h MET 45 CO 0.03 0.00 0.26 0.22 1.06 0.00 0.00 176.91 178.48 2k9a h ASP 46 N 0.00 0.14 0.06 1.22 1.82 -1.42 -1.77 116.42 116.48 2k9a h ASP 46 Ca 0.07 0.00 -0.38 0.00 -0.39 0.00 0.00 57.03 56.33 2k9a h ASP 46 Cb 0.37 -0.03 -0.05 0.00 0.68 0.00 0.00 39.33 40.30 2k9a h ASP 46 CO -0.00 0.09 -2.30 0.29 -1.61 0.00 0.00 179.24 175.71 2k9a n LYS 47 N -4.46 0.68 -0.00 0.28 4.76 -0.34 -4.28 118.16 114.80 2k9a n LYS 47 Ca 0.05 0.17 -0.09 0.00 -2.87 0.00 0.00 58.31 55.57 2k9a n LYS 47 Cb 0.33 -1.59 -0.03 0.00 -1.84 0.00 0.00 35.03 31.90 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 -0.49 0.00 2.13 -1.99 -1.08 -0.10 116.97 115.46 2k9a h TYR 48 Ca -0.52 0.03 0.00 0.00 2.00 0.00 0.00 58.73 60.24 2k9a h TYR 48 Cb 1.98 0.24 0.00 0.00 2.00 0.00 0.00 36.73 40.95 2k9a h TYR 48 CO 0.04 -0.27 0.00 0.10 -0.00 0.00 0.00 178.16 178.03 2k9a h TYR 49 N -0.24 0.00 0.19 4.88 -0.00 -1.56 -0.81 116.97 119.43 2k9a h TYR 49 Ca 0.10 0.00 -0.28 0.00 0.00 0.00 0.00 58.73 58.55 2k9a h TYR 49 Cb 0.38 0.00 0.02 0.00 0.00 0.00 0.00 36.73 37.14 2k9a h TYR 49 CO -0.30 0.00 -1.26 -0.07 -0.00 0.00 0.00 178.16 176.53 2k9a h LEU 50 N 0.00 0.63 -0.57 0.10 3.38 -1.23 -3.33 115.31 114.27 2k9a h LEU 50 Ca 0.00 -0.93 -0.15 0.00 0.09 0.00 0.00 57.88 56.89 2k9a h LEU 50 Cb 0.06 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.59 2k9a h LEU 50 CO 0.00 1.59 -0.70 -0.33 0.09 0.00 0.00 178.44 179.10 2k9a h GLU 51 N -0.11 0.10 -5.53 1.13 5.08 -0.60 -3.38 114.58 111.28 2k9a h GLU 51 Ca -0.23 -0.08 -0.68 0.00 -1.00 0.00 0.00 59.36 57.37 2k9a h GLU 51 Cb 1.92 0.02 -0.12 0.00 0.50 0.00 0.00 28.75 31.06 2k9a h GLU 51 CO 0.19 0.76 1.68 -0.06 -1.00 0.00 0.00 179.01 180.58 2k9a s PHE 52 N -3.49 2.95 0.05 4.33 0.40 -0.38 -4.98 117.98 116.86 2k9a s PHE 52 Ca -0.02 -1.57 -0.18 0.00 -0.60 0.00 0.00 56.93 54.56 2k9a s PHE 52 Cb 0.12 -4.58 -0.06 0.00 0.51 0.00 0.00 43.02 39.01 2k9a s PHE 52 CO 0.79 -1.69 0.53 -1.21 0.70 0.00 0.00 175.22 174.34 2k9a s GLU 53 N 3.53 4.15 -0.84 0.44 0.41 -1.26 -4.84 118.70 120.29 2k9a s GLU 53 Ca 0.47 0.66 -0.25 0.00 -0.41 0.00 0.00 54.97 55.44 2k9a s GLU 53 Cb 0.00 -3.25 -0.04 0.00 -1.78 0.00 0.00 34.13 29.07 2k9a s GLU 53 CO 0.00 0.62 1.89 0.16 -0.49 0.00 0.00 175.26 177.44 2k9a s ASP 54 N -0.99 5.26 0.24 -0.19 -4.77 -1.26 -4.91 116.67 110.04 2k9a s ASP 54 Ca 0.28 -0.48 0.02 0.00 -3.30 0.00 0.00 52.55 49.07 2k9a s ASP 54 Cb -0.19 -2.55 -0.05 0.00 -1.09 0.00 0.00 42.92 39.04 2k9a s ASP 54 CO 0.17 -2.58 0.07 0.42 0.70 0.00 0.00 175.17 173.95 2k9a s THR 55 N 9.52 0.63 -0.49 2.11 -4.23 -1.26 -5.05 115.64 116.87 2k9a s THR 55 Ca 0.68 -2.00 0.23 0.00 -1.18 0.00 0.00 61.69 59.42 2k9a s THR 55 Cb -0.08 -2.52 -0.05 0.00 1.34 0.00 0.00 72.50 71.19 2k9a s THR 55 CO 0.04 -0.12 1.09 -0.62 -0.54 0.00 0.00 174.62 174.47 2k9a n GLU 56 N -0.42 0.39 -3.65 3.99 4.71 -1.26 -4.85 120.64 119.54 2k9a n GLU 56 Ca -0.02 0.04 -0.36 0.00 -0.01 0.00 0.00 57.16 56.82 2k9a n GLU 56 Cb 0.65 -1.68 -0.08 0.00 -1.01 0.00 0.00 31.44 29.33 2k9a n GLU 56 CO 0.00 0.00 0.00 -2.00 0.09 0.00 0.00 177.13 175.22 2k9a s GLU 57 N -3.25 4.20 -0.09 3.49 2.12 -1.26 -5.08 118.70 118.83 2k9a s GLU 57 Ca 0.03 -0.08 -0.18 0.00 0.36 0.00 0.00 54.97 55.10 2k9a s GLU 57 Cb 0.13 -3.42 -0.05 0.00 0.26 0.00 0.00 34.13 31.06 2k9a s GLU 57 CO 0.78 0.29 0.47 0.54 -0.54 0.00 0.00 175.26 176.80 2k9a s ASN 58 N 0.36 6.72 0.32 -1.70 4.22 -1.26 -5.08 114.94 118.52 2k9a s ASN 58 Ca 0.12 0.85 0.05 0.00 -2.14 0.00 0.00 52.86 51.74 2k9a s ASN 58 Cb -0.12 -2.28 -0.02 0.00 1.28 0.00 0.00 41.25 40.11 2k9a s ASN 58 CO 0.01 0.07 0.47 -0.54 -2.04 0.00 0.00 177.10 175.06 2k9a s LYS 59 N 0.27 3.23 0.26 3.55 1.02 -1.26 -5.01 119.74 121.81 2k9a s LYS 59 Ca 0.26 -0.83 0.25 0.00 0.02 0.00 0.00 55.97 55.67 2k9a s LYS 59 Cb -0.16 -2.80 0.70 0.00 -0.52 0.00 0.00 37.83 35.06 2k9a s LYS 59 CO 0.11 0.14 1.74 1.25 -0.92 0.00 0.00 175.35 177.67 2k9a h LEU 60 N 0.91 0.00 -0.78 3.17 5.85 -2.04 -3.18 115.31 119.23 2k9a h LEU 60 Ca -0.48 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.24 2k9a h LEU 60 Cb 1.25 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.28 2k9a h LEU 60 CO 0.56 0.00 0.00 0.00 -0.34 0.00 0.00 178.44 178.66 2k9a n ILE 61 N -2.46 1.02 0.23 4.05 0.13 -1.26 -2.03 119.36 119.04 2k9a n ILE 61 Ca 0.05 0.41 0.11 0.00 -1.10 0.00 0.00 62.75 62.23 2k9a n ILE 61 Cb 0.45 -1.35 0.52 0.00 -0.84 0.00 0.00 39.64 38.42 2k9a n ILE 61 CO 0.00 0.00 0.00 1.88 2.80 0.00 0.00 176.55 181.23 2k9a h TYR 62 N 0.00 0.00 0.07 9.51 -1.99 -1.97 -2.87 116.97 119.71 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 0.21 0.00 0.00 0.00 2.00 0.00 0.00 36.73 38.94 2k9a h TYR 62 CO 0.00 0.18 -0.03 1.15 -0.00 0.00 0.00 178.16 179.46 2k9a h THR 63 N 0.00 1.18 -0.40 -2.88 2.02 -1.67 -2.47 112.91 108.69 2k9a h THR 63 Ca -0.00 -1.47 0.01 0.00 0.77 0.00 0.00 66.41 65.72 2k9a h THR 63 Cb 0.66 2.06 -0.02 0.00 -1.74 0.00 0.00 68.15 69.11 2k9a h THR 63 CO 0.02 0.33 0.25 -0.65 0.37 0.00 0.00 175.52 175.85 2k9a h PRO 64 N -0.83 0.49 -0.65 6.66 0.11 -1.71 -1.80 132.00 134.27 2k9a h PRO 64 Ca -0.01 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.07 2k9a h PRO 64 Cb 0.62 -0.11 -0.03 0.00 0.11 0.00 0.00 31.00 31.59 2k9a h PRO 64 CO 0.02 0.33 0.41 0.82 -0.21 0.00 0.00 178.00 179.36 2k9a h ILE 65 N 0.51 1.18 -0.53 4.15 2.04 -1.63 -2.25 117.51 120.97 2k9a h ILE 65 Ca 0.16 -0.35 0.00 0.00 1.00 0.00 0.00 64.86 65.66 2k9a h ILE 65 Cb -0.02 0.25 -0.03 0.00 -0.74 0.00 0.00 36.82 36.29 2k9a h ILE 65 CO -0.06 0.18 0.34 0.15 0.00 0.00 0.00 178.15 178.75 2k9a h PHE 66 N 0.88 0.69 -0.25 1.37 3.57 -1.15 -1.99 116.94 120.06 2k9a h PHE 66 Ca 0.23 0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.74 2k9a h PHE 66 Cb -0.07 -0.23 -0.01 0.00 2.79 0.00 0.00 35.95 38.43 2k9a h PHE 66 CO -0.02 0.46 0.15 -0.91 -2.23 0.00 0.00 178.31 175.75 2k9a h ASN 67 N 0.72 0.29 -0.24 0.41 -0.26 -0.99 -1.38 115.58 114.12 2k9a h ASN 67 Ca 0.19 -0.01 -0.13 0.00 -0.56 0.00 0.00 56.30 55.79 2k9a h ASN 67 Cb -0.04 -0.07 -0.01 0.00 -1.06 0.00 0.00 38.32 37.13 2k9a h ASN 67 CO -0.04 0.22 -0.32 -0.08 -1.06 0.00 0.00 177.43 176.15 2k9a h GLU 68 N 0.34 0.76 -0.33 0.81 4.81 -0.79 -0.30 114.58 119.88 2k9a h GLU 68 Ca 0.09 -0.35 -0.15 0.00 -0.13 0.00 0.00 59.36 58.81 2k9a h GLU 68 Cb -0.01 -0.01 -0.00 0.00 0.63 0.00 0.00 28.75 29.36 2k9a h GLU 68 CO -0.02 0.97 -0.39 -0.92 -0.73 0.00 0.00 179.01 177.92 2k9a h TYR 69 N 0.64 1.03 0.00 0.92 3.20 -0.86 0.57 116.97 122.46 2k9a h TYR 69 Ca 0.07 -0.33 -0.13 0.00 3.14 0.00 0.00 58.73 61.49 2k9a h TYR 69 Cb 0.85 -0.21 -0.02 0.00 1.54 0.00 0.00 36.73 38.90 2k9a h TYR 69 CO 0.04 1.13 -0.60 0.82 -1.64 0.00 0.00 178.16 177.91 2k9a h ILE 70 N 0.63 1.31 0.07 1.81 1.08 -1.23 -0.27 117.51 120.92 2k9a h ILE 70 Ca 0.04 -2.15 -0.29 0.00 -0.39 0.00 0.00 64.86 62.07 2k9a h ILE 70 Cb 0.99 2.20 -0.02 0.00 -3.07 0.00 0.00 36.82 36.91 2k9a h ILE 70 CO 0.09 0.59 -1.55 0.28 -0.69 0.00 0.00 178.15 176.88 2k9a h SER 71 N 0.00 0.23 0.00 1.72 0.02 -0.99 -3.30 113.55 111.23 2k9a h SER 71 Ca -0.01 -0.36 0.00 0.00 -0.84 0.00 0.00 61.79 60.59 2k9a h SER 71 Cb 1.15 -0.07 0.00 0.00 0.14 0.00 0.00 62.40 63.62 2k9a h SER 71 CO 0.08 1.30 -0.39 0.25 -1.14 0.00 0.00 176.83 176.94 2k9a h LEU 72 N 0.04 0.00 0.60 5.07 5.85 -0.91 -3.35 115.31 122.62 2k9a h LEU 72 Ca -0.24 0.00 -0.03 0.00 0.84 0.00 0.00 57.88 58.45 2k9a h LEU 72 Cb 1.98 0.00 0.01 0.00 0.37 0.00 0.00 40.66 43.02 2k9a h LEU 72 CO 0.13 0.59 -0.29 0.58 -0.34 0.00 0.00 178.44 179.11 2k9a h VAL 73 N -0.80 0.20 -0.82 1.05 2.07 -1.22 0.57 116.25 117.31 2k9a h VAL 73 Ca 0.00 -0.36 0.15 0.00 0.82 0.00 0.00 66.70 67.31 2k9a h VAL 73 Cb 0.39 0.28 -0.09 0.00 -1.52 0.00 0.00 31.29 30.34 2k9a h VAL 73 CO 0.00 0.03 0.39 -0.08 0.02 0.00 0.00 177.57 177.93 2k9a h GLU 74 N -1.10 0.54 0.00 1.57 4.81 -1.57 0.22 114.58 119.05 2k9a h GLU 74 Ca -0.08 -0.03 -0.07 0.00 -0.13 0.00 0.00 59.36 59.04 2k9a h GLU 74 Cb 0.67 -0.12 -0.01 0.00 0.63 0.00 0.00 28.75 29.92 2k9a h GLU 74 CO 0.14 0.36 -0.35 0.87 -0.73 0.00 0.00 179.01 179.30 2k9a h LYS 75 N 0.56 0.00 -0.27 1.92 1.57 -1.63 -2.69 116.57 116.02 2k9a h LYS 75 Ca 0.45 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 59.22 2k9a h LYS 75 Cb 0.65 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.94 2k9a h LYS 75 CO -0.38 0.35 0.13 -0.92 -0.57 0.00 0.00 179.45 178.06 2k9a h TYR 76 N 0.00 0.40 -0.35 -1.35 3.20 0.18 -0.21 116.97 118.83 2k9a h TYR 76 Ca -0.00 -0.02 -0.17 0.00 3.14 0.00 0.00 58.73 61.68 2k9a h TYR 76 Cb 0.97 -0.12 -0.00 0.00 1.54 0.00 0.00 36.73 39.11 2k9a h TYR 76 CO 0.00 0.38 -0.44 0.82 -1.64 0.00 0.00 178.16 177.28 2k9a h ILE 77 N 0.30 1.27 0.07 1.81 2.04 -1.40 -2.74 117.51 118.87 2k9a h ILE 77 Ca 0.09 -1.62 -0.00 0.00 1.00 0.00 0.00 64.86 64.33 2k9a h ILE 77 Cb 0.13 1.46 0.00 0.00 -0.74 0.00 0.00 36.82 37.68 2k9a h ILE 77 CO -0.01 0.54 -0.03 -0.08 0.00 0.00 0.00 178.15 178.56 2k9a h GLU 78 N 0.72 -0.09 -0.26 2.37 4.81 -1.33 -2.11 114.58 118.70 2k9a h GLU 78 Ca 0.05 0.01 0.01 0.00 -0.13 0.00 0.00 59.36 59.29 2k9a h GLU 78 Cb 1.03 0.02 -0.02 0.00 0.63 0.00 0.00 28.75 30.42 2k9a h GLU 78 CO 0.10 0.00 0.15 0.93 -0.73 0.00 0.00 179.01 179.46 2k9a h GLU 79 N -0.17 0.29 -0.91 1.92 5.08 -1.08 -1.02 114.58 118.70 2k9a h GLU 79 Ca -0.01 -0.02 0.04 0.00 -1.00 0.00 0.00 59.36 58.37 2k9a h GLU 79 Cb 0.14 -0.07 -0.05 0.00 0.50 0.00 0.00 28.75 29.27 2k9a h GLU 79 CO 0.02 0.19 0.60 1.96 -1.00 0.00 0.00 179.01 180.78 2k9a h GLN 80 N 0.30 1.09 -0.10 2.33 1.08 -1.43 -1.31 115.11 117.08 2k9a h GLN 80 Ca 0.10 -0.07 -0.13 0.00 -1.45 0.00 0.00 58.65 57.10 2k9a h GLN 80 Cb -0.00 -0.25 -0.01 0.00 -0.05 0.00 0.00 27.48 27.17 2k9a h GLN 80 CO -0.05 0.72 -0.52 -0.07 -0.95 0.00 0.00 178.83 177.96 2k9a h LEU 81 N 1.12 0.31 -1.35 1.46 3.38 -0.98 -2.86 115.31 116.39 2k9a h LEU 81 Ca 0.37 -0.16 -0.06 0.00 0.09 0.00 0.00 57.88 58.12 2k9a h LEU 81 Cb 0.06 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 40.71 2k9a h LEU 81 CO -0.12 0.78 -0.28 -0.07 0.09 0.00 0.00 178.44 178.84 2k9a h LEU 82 N 0.22 0.00 -2.58 1.67 3.38 -0.09 0.04 115.31 117.94 2k9a h LEU 82 Ca 0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.98 2k9a h LEU 82 Cb 1.00 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.75 2k9a h LEU 82 CO 0.08 0.28 0.03 1.56 0.09 0.00 0.00 178.44 180.48 2k9a h GLN 83 N 0.00 0.00 0.00 1.13 4.20 -1.11 -2.66 115.11 116.67 2k9a h GLN 83 Ca -0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 2k9a h GLN 83 Cb 0.64 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.42 2k9a h GLN 83 CO 0.04 0.00 -1.19 0.54 -0.67 0.00 0.00 178.83 177.55 2k9a n ARG 84 N -3.62 0.21 -3.63 1.46 1.74 -0.99 -4.90 116.66 106.94 2k9a n ARG 84 Ca -0.03 -0.04 -0.29 0.00 -0.77 0.00 0.00 57.85 56.72 2k9a n ARG 84 Cb 0.11 -1.10 -0.13 0.00 -1.02 0.00 0.00 32.46 30.31 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 -2.30 0.76 -1.78 0.55 1.01 -0.03 -4.97 121.20 114.44 2k9a s ILE 85 Ca -0.02 -1.86 0.16 0.00 0.00 0.00 0.00 60.65 58.94 2k9a s ILE 85 Cb 0.03 -1.55 0.39 0.00 0.01 0.00 0.00 42.46 41.33 2k9a s ILE 85 CO 0.19 -0.86 1.40 -0.81 0.00 0.00 0.00 174.94 174.86 2k9a n PRO 86 N 4.16 0.40 -0.23 2.79 -0.04 -1.20 -1.99 135.00 138.88 2k9a n PRO 86 Ca 0.06 0.05 0.07 0.00 -0.04 0.00 0.00 63.50 63.64 2k9a n PRO 86 Cb 0.38 -1.50 0.17 0.00 -0.04 0.00 0.00 33.50 32.51 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 -1.11 2.66 -2.99 0.54 1.02 -1.26 -5.01 120.64 114.49 2k9a n GLU 87 Ca 0.10 -2.35 -0.40 0.00 -0.02 0.00 0.00 57.16 54.49 2k9a n GLU 87 Cb 0.08 -1.48 -0.05 0.00 -0.02 0.00 0.00 31.44 29.96 2k9a n GLU 87 CO 0.00 0.00 0.00 0.12 1.18 0.00 0.00 177.13 178.43 2k9a s PHE 88 N -1.99 3.80 -0.30 -0.32 5.36 -0.84 -5.05 117.98 118.64 2k9a s PHE 88 Ca 0.28 1.53 0.01 0.00 -0.96 0.00 0.00 56.93 57.80 2k9a s PHE 88 Cb 0.21 -2.79 0.09 0.00 -0.34 0.00 0.00 43.02 40.19 2k9a s PHE 88 CO 0.09 0.37 0.04 1.21 -1.46 0.00 0.00 175.22 175.47 2k9a s ASN 89 N -0.50 4.25 0.19 6.13 2.47 -1.26 -4.96 114.94 121.27 2k9a s ASN 89 Ca 0.37 -1.71 -0.13 0.00 0.42 0.00 0.00 52.86 51.82 2k9a s ASN 89 Cb -0.21 -1.23 0.21 0.00 -1.45 0.00 0.00 41.25 38.57 2k9a s ASN 89 CO 0.24 -0.36 1.70 -0.03 -3.72 0.00 0.00 177.10 174.94 2k9a h MET 90 N 7.88 0.19 0.11 0.43 4.05 -1.96 0.06 114.93 125.69 2k9a h MET 90 Ca -0.11 -0.01 0.02 0.00 -0.28 0.00 0.00 59.70 59.32 2k9a h MET 90 Cb 1.03 -0.04 -0.05 0.00 -0.80 0.00 0.00 31.60 31.74 2k9a h MET 90 CO 0.47 0.12 -0.45 0.00 0.23 0.00 0.00 176.91 177.29 2k9a h ALA 91 N 1.42 -0.80 0.00 0.39 0.00 -2.00 -1.00 119.26 117.27 2k9a h ALA 91 Ca 0.26 -0.08 -0.03 0.00 0.00 0.00 0.00 54.91 55.06 2k9a h ALA 91 Cb 0.37 0.75 -0.00 0.00 0.00 0.00 0.00 17.79 18.91 2k9a h ALA 91 CO -0.37 -1.02 -0.16 0.00 0.00 0.00 0.00 179.25 177.70 2k9a h ALA 92 N -0.25 1.66 -0.11 0.00 0.00 -1.93 -2.70 119.26 115.93 2k9a h ALA 92 Ca 0.02 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.77 2k9a h ALA 92 Cb 0.70 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.46 2k9a h ALA 92 CO -0.26 0.20 0.02 0.35 0.00 0.00 0.00 179.25 179.56 2k9a h PHE 93 N 0.00 0.19 -0.75 0.00 3.57 -0.01 -2.66 116.94 117.28 2k9a h PHE 93 Ca -0.00 -0.02 -0.06 0.00 3.53 0.00 0.00 57.97 61.42 2k9a h PHE 93 Cb 0.29 -0.05 -0.03 0.00 2.79 0.00 0.00 35.95 38.95 2k9a h PHE 93 CO 0.00 0.35 0.25 1.79 -2.23 0.00 0.00 178.31 178.47 2k9a h THR 94 N -0.03 1.26 -0.25 4.41 1.35 -0.99 0.29 112.91 118.94 2k9a h THR 94 Ca 0.03 -0.89 0.04 0.00 -0.55 0.00 0.00 66.41 65.05 2k9a h THR 94 Cb 0.26 0.42 -0.04 0.00 -1.73 0.00 0.00 68.15 67.06 2k9a h THR 94 CO 0.00 0.35 0.03 0.74 -0.25 0.00 0.00 175.52 176.39 2k9a h THR 95 N 1.11 0.85 0.00 6.82 2.02 -1.40 -1.84 112.91 120.47 2k9a h THR 95 Ca 0.24 -0.04 -0.13 0.00 0.77 0.00 0.00 66.41 67.25 2k9a h THR 95 Cb 0.29 0.73 -0.02 0.00 -1.74 0.00 0.00 68.15 67.40 2k9a h THR 95 CO -0.01 0.02 -0.62 0.74 0.37 0.00 0.00 175.52 176.02 2k9a h THR 96 N 0.11 1.41 -0.70 3.16 2.02 -1.32 -3.12 112.91 114.47 2k9a h THR 96 Ca 0.12 -2.17 -0.00 0.00 0.77 0.00 0.00 66.41 65.13 2k9a h THR 96 Cb 0.14 2.18 -0.03 0.00 -1.74 0.00 0.00 68.15 68.70 2k9a h THR 96 CO -0.18 0.61 0.44 0.25 0.37 0.00 0.00 175.52 177.01 2k9a h LEU 97 N 0.00 0.83 -1.09 2.58 6.46 -0.20 -1.89 115.31 122.00 2k9a h LEU 97 Ca -0.01 -0.04 0.19 0.00 -0.12 0.00 0.00 57.88 57.90 2k9a h LEU 97 Cb 1.13 -0.21 -0.10 0.00 -0.73 0.00 0.00 40.66 40.76 2k9a h LEU 97 CO 0.08 0.63 0.61 1.56 -0.62 0.00 0.00 178.44 180.70 2k9a h GLN 98 N 0.96 0.70 0.23 1.25 4.20 -1.29 0.42 115.11 121.58 2k9a h GLN 98 Ca 0.25 -0.04 -0.32 0.00 0.06 0.00 0.00 58.65 58.60 2k9a h GLN 98 Cb -0.06 -0.16 0.03 0.00 0.30 0.00 0.00 27.48 27.59 2k9a h GLN 98 CO -0.05 0.47 -1.45 0.45 -0.67 0.00 0.00 178.83 177.57 2k9a h HIS 99 N 0.72 0.88 0.00 2.96 3.86 -1.58 -3.22 115.15 118.78 2k9a h HIS 99 Ca 0.56 -0.64 0.00 0.00 -1.16 0.00 0.00 60.37 59.12 2k9a h HIS 99 Cb 0.92 -0.04 0.00 0.00 1.06 0.00 0.00 27.41 29.36 2k9a h HIS 99 CO -0.00 1.56 0.00 0.72 0.86 0.00 0.00 177.93 181.06 2k9a n HIS 100 N -3.75 0.00 0.29 2.45 8.25 -0.40 -2.66 115.22 119.40 2k9a n HIS 100 Ca -0.18 0.00 0.18 0.00 -0.26 0.00 0.00 57.72 57.46 2k9a n HIS 100 Cb 1.06 -0.06 0.87 0.00 1.12 0.00 0.00 29.99 32.98 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 -0.24 -0.53 116.57 119.03 2k9a h LYS 101 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 2k9a h LYS 101 Cb 0.04 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.86 2k9a h LYS 101 CO 0.00 0.03 0.00 -0.25 -2.27 0.00 0.00 179.45 176.96 2k9a n ASP 102 N -3.21 0.00 0.01 4.20 9.92 -1.09 -4.23 116.55 122.15 2k9a n ASP 102 Ca -0.01 -0.04 -0.02 0.00 -0.53 0.00 0.00 54.79 54.19 2k9a n ASP 102 Cb 0.22 -0.32 -0.01 0.00 -0.64 0.00 0.00 41.12 40.37 2k9a n ASP 102 CO 0.00 0.00 0.00 -0.62 0.13 0.00 0.00 177.20 176.71 2k9a n GLU 103 N -1.32 0.14 -1.16 -1.24 -0.58 -0.35 -5.05 120.64 111.08 2k9a n GLU 103 Ca 0.13 0.05 -0.34 0.00 -0.42 0.00 0.00 57.16 56.58 2k9a n GLU 103 Cb 0.26 -0.71 0.11 0.00 -0.57 0.00 0.00 31.44 30.53 2k9a n GLU 103 CO 0.00 0.00 0.00 1.55 -0.48 0.00 0.00 177.13 178.20 2k9a n VAL 104 N -3.66 2.08 -1.55 2.62 3.14 -0.40 -4.80 118.33 115.75 2k9a n VAL 104 Ca -0.04 -0.26 -0.43 0.00 -2.96 0.00 0.00 64.34 60.65 2k9a n VAL 104 Cb 0.13 -1.10 -0.04 0.00 -1.06 0.00 0.00 33.84 31.77 2k9a n VAL 104 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 2k9a n ALA 105 N -3.06 1.39 0.18 1.55 0.00 -1.26 -4.82 120.51 114.49 2k9a n ALA 105 Ca 0.13 -0.37 0.10 0.00 0.00 0.00 0.00 53.44 53.30 2k9a n ALA 105 Cb 0.50 -2.90 0.62 0.00 0.00 0.00 0.00 19.45 17.68 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 15.49 0.09 0.97 0.00 0.00 -1.87 -2.33 103.07 115.41 2k9a h GLY 106 Ca -0.33 -0.03 -0.02 0.00 0.00 0.00 0.00 47.33 46.95 2k9a h GLY 106 CO 1.03 0.03 0.23 -0.55 0.00 0.00 0.00 176.54 177.27 2k9a h ASP 107 N 0.08 0.62 0.00 0.19 3.32 -1.97 0.22 116.42 118.87 2k9a h ASP 107 Ca 0.07 -0.13 -0.00 0.00 0.02 0.00 0.00 57.03 56.99 2k9a h ASP 107 Cb 0.17 -0.16 0.00 0.00 0.22 0.00 0.00 39.33 39.56 2k9a h ASP 107 CO -0.01 0.57 -0.00 0.40 -1.72 0.00 0.00 179.24 178.48 2k9a h ILE 108 N 0.62 1.29 0.00 0.35 2.04 -1.82 -3.07 117.51 116.92 2k9a h ILE 108 Ca 0.16 -0.87 -0.06 0.00 1.00 0.00 0.00 64.86 65.10 2k9a h ILE 108 Cb 0.12 1.88 -0.01 0.00 -0.74 0.00 0.00 36.82 38.07 2k9a h ILE 108 CO -0.02 0.23 -0.27 0.15 0.00 0.00 0.00 178.15 178.24 2k9a h PHE 109 N -0.37 0.00 -1.04 1.37 3.57 -1.46 -2.76 116.94 116.25 2k9a h PHE 109 Ca -0.00 0.00 0.30 0.00 3.53 0.00 0.00 57.97 61.80 2k9a h PHE 109 Cb 0.37 0.00 -0.04 0.00 2.79 0.00 0.00 35.95 39.07 2k9a h PHE 109 CO 0.05 0.27 0.81 0.22 -2.23 0.00 0.00 178.31 177.43 2k9a h ASP 110 N 0.00 0.00 0.08 0.41 3.58 -0.46 0.59 116.42 120.62 2k9a h ASP 110 Ca -0.00 0.00 -0.00 0.00 0.42 0.00 0.00 57.03 57.44 2k9a h ASP 110 Cb 0.50 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.55 2k9a h ASP 110 CO 0.03 0.00 -0.04 -0.03 -2.88 0.00 0.00 179.24 176.33 2k9a h MET 111 N 0.00 -0.10 0.00 0.28 4.05 -1.61 -3.18 114.93 114.37 2k9a h MET 111 Ca 0.49 0.01 -0.02 0.00 -0.28 0.00 0.00 59.70 59.90 2k9a h MET 111 Cb 2.11 0.02 -0.00 0.00 -0.80 0.00 0.00 31.60 32.92 2k9a h MET 111 CO -0.01 0.43 -0.11 -0.07 0.23 0.00 0.00 176.91 177.39 2k9a h LEU 112 N -0.71 0.00 -1.90 3.39 3.38 -0.76 -2.82 115.31 115.89 2k9a h LEU 112 Ca -0.01 0.00 0.19 0.00 0.09 0.00 0.00 57.88 58.15 2k9a h LEU 112 Cb 0.57 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.30 2k9a h LEU 112 CO 0.02 0.11 0.59 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 0.04 0.92 115.31 123.79 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 0.43 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.46 2k9a h LEU 113 CO 0.01 0.00 0.01 0.35 -0.34 0.00 0.00 178.44 178.47 2k9a n THR 114 N -3.86 0.40 0.25 1.05 -2.24 -1.06 -2.01 114.28 106.81 2k9a n THR 114 Ca 0.13 0.11 0.10 0.00 -2.27 0.00 0.00 64.05 62.11 2k9a n THR 114 Cb 0.83 -1.11 0.63 0.00 -2.10 0.00 0.00 70.33 68.59 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 -1.08 -3.37 116.94 117.30 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 0.01 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.16 2k9a h PHE 115 CO 0.00 0.16 -0.32 0.25 -0.60 0.00 0.00 178.31 177.80 2k9a n THR 116 N -3.90 0.00 -2.01 -1.55 -2.24 -0.85 -4.99 114.28 98.73 2k9a n THR 116 Ca -0.02 0.00 -0.29 0.00 -2.27 0.00 0.00 64.05 61.47 2k9a n THR 116 Cb 0.25 -0.17 -0.05 0.00 -2.10 0.00 0.00 70.33 68.26 2k9a n THR 116 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 2k9a s ASP 117 N -3.17 5.09 0.43 3.42 1.11 -0.95 -4.79 116.67 117.81 2k9a s ASP 117 Ca 0.00 -0.38 0.09 0.00 0.18 0.00 0.00 52.55 52.44 2k9a s ASP 117 Cb 0.00 -2.55 0.93 0.00 1.07 0.00 0.00 42.92 42.36 2k9a s ASP 117 CO 0.00 -2.73 2.04 0.15 1.18 0.00 0.00 175.17 175.82 2k9a h PHE 118 N 12.32 0.34 -0.51 4.23 3.57 -1.89 -1.73 116.94 133.28 2k9a h PHE 118 Ca 0.01 -0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.47 2k9a h PHE 118 Cb 1.04 -0.11 -0.02 0.00 2.79 0.00 0.00 35.95 39.65 2k9a h PHE 118 CO 1.17 0.27 0.19 -0.07 -2.23 0.00 0.00 178.31 177.64 2k9a h LEU 119 N 0.36 0.67 -0.24 0.59 -0.00 -1.97 -2.33 115.31 112.38 2k9a h LEU 119 Ca 0.09 -0.08 -0.21 0.00 -0.00 0.00 0.00 57.88 57.68 2k9a h LEU 119 Cb 0.06 -0.17 -0.01 0.00 -0.00 0.00 0.00 40.66 40.54 2k9a h LEU 119 CO -0.01 0.61 -0.90 0.00 -0.00 0.00 0.00 178.44 178.14 2k9a h ALA 120 N 1.49 0.46 0.40 1.53 0.00 -1.72 -2.60 119.26 118.82 2k9a h ALA 120 Ca 0.17 -0.72 -0.02 0.00 0.00 0.00 0.00 54.91 54.34 2k9a h ALA 120 Cb 0.16 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.90 2k9a h ALA 120 CO -0.02 0.88 -0.19 0.35 0.00 0.00 0.00 179.25 180.27 2k9a h PHE 121 N 0.15 -0.50 -0.03 0.00 3.57 -1.01 0.24 116.94 119.36 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 1.54 0.17 -0.00 0.00 2.79 0.00 0.00 35.95 40.44 2k9a h PHE 121 CO 0.04 -0.24 0.01 -0.22 -2.23 0.00 0.00 178.31 175.68 2k9a h LYS 122 N -0.68 0.04 -0.03 1.11 3.64 -1.54 -2.50 116.57 116.61 2k9a h LYS 122 Ca -0.06 -0.01 0.01 0.00 -1.27 0.00 0.00 60.65 59.33 2k9a h LYS 122 Cb 0.49 -0.01 -0.00 0.00 -0.41 0.00 0.00 32.23 32.30 2k9a h LYS 122 CO 0.09 0.18 0.03 1.49 -2.27 0.00 0.00 179.45 178.97 2k9a h GLU 123 N -0.11 0.00 -0.16 1.90 4.81 -1.48 -1.96 114.58 117.58 2k9a h GLU 123 Ca 0.01 0.00 -0.03 0.00 -0.13 0.00 0.00 59.36 59.21 2k9a h GLU 123 Cb 0.16 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.53 2k9a h GLU 123 CO -0.00 0.00 -0.00 1.98 -0.73 0.00 0.00 179.01 180.26 2k9a h MET 124 N 0.00 0.29 -0.41 1.92 4.05 -0.50 -2.15 114.93 118.12 2k9a h MET 124 Ca 0.02 -0.09 -0.06 0.00 -0.28 0.00 0.00 59.70 59.28 2k9a h MET 124 Cb 0.07 -0.03 -0.02 0.00 -0.80 0.00 0.00 31.60 30.83 2k9a h MET 124 CO -0.00 0.51 0.03 0.74 0.23 0.00 0.00 176.91 178.42 2k9a h PHE 125 N 0.03 0.77 -0.48 1.39 0.04 -1.14 -1.99 116.94 115.56 2k9a h PHE 125 Ca 0.05 -0.12 0.04 0.00 2.80 0.00 0.00 57.97 60.74 2k9a h PHE 125 Cb 0.38 -0.20 -0.04 0.00 2.20 0.00 0.00 35.95 38.28 2k9a h PHE 125 CO 0.03 0.77 0.24 -0.07 -0.60 0.00 0.00 178.31 178.68 2k9a h LEU 126 N 0.55 0.33 -0.94 1.54 4.07 -1.37 -1.15 115.31 118.35 2k9a h LEU 126 Ca 0.12 0.03 -0.04 0.00 0.08 0.00 0.00 57.88 58.07 2k9a h LEU 126 Cb 0.44 -0.03 -0.03 0.00 1.08 0.00 0.00 40.66 42.12 2k9a h LEU 126 CO 0.02 0.23 0.28 -0.78 -1.08 0.00 0.00 178.44 177.11 2k9a h ASP 127 N 0.46 0.97 -0.84 -0.43 3.58 -1.30 -2.12 116.42 116.75 2k9a h ASP 127 Ca 0.21 -0.14 0.01 0.00 0.42 0.00 0.00 57.03 57.53 2k9a h ASP 127 Cb 0.13 -0.25 -0.04 0.00 1.72 0.00 0.00 39.33 40.89 2k9a h ASP 127 CO -0.16 0.86 0.55 0.22 -2.88 0.00 0.00 179.24 177.84 2k9a h TYR 128 N 1.03 1.05 -0.02 0.28 3.20 -0.53 -1.04 116.97 120.94 2k9a h TYR 128 Ca 0.24 0.02 -0.11 0.00 3.14 0.00 0.00 58.73 62.03 2k9a h TYR 128 Cb 0.20 -0.35 -0.01 0.00 1.54 0.00 0.00 36.73 38.10 2k9a h TYR 128 CO 0.02 0.66 -0.49 -0.09 -1.64 0.00 0.00 178.16 176.61 2k9a h ARG 129 N 1.13 0.05 -0.41 1.82 2.43 -0.67 -2.86 114.38 115.87 2k9a h ARG 129 Ca 0.31 -0.03 -0.06 0.00 -0.81 0.00 0.00 59.98 59.39 2k9a h ARG 129 Cb -0.12 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 29.41 2k9a h ARG 129 CO -0.07 0.53 -0.01 0.00 -1.51 0.00 0.00 179.97 178.91 2k9a h ALA 130 N 1.47 1.22 0.00 2.80 0.00 -0.57 -1.85 119.26 122.32 2k9a h ALA 130 Ca -0.00 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.67 2k9a h ALA 130 Cb 0.89 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.50 2k9a h ALA 130 CO 0.07 0.51 0.00 0.93 0.00 0.00 0.00 179.25 180.76 2k9a h GLU 131 N 0.62 0.00 0.00 0.00 5.08 -1.21 -2.69 114.58 116.38 2k9a h GLU 131 Ca 0.13 0.00 -0.05 0.00 -1.00 0.00 0.00 59.36 58.43 2k9a h GLU 131 Cb 0.40 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.65 2k9a h GLU 131 CO 0.02 0.00 -0.25 0.87 -1.00 0.00 0.00 179.01 178.65 2k9a h LYS 132 N 0.00 0.00 0.00 2.33 1.79 -1.29 -2.03 116.57 117.36 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 0.52 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.17 2k9a h LYS 132 CO 0.00 0.25 0.00 0.39 -1.08 0.00 0.00 179.45 179.01 2k9a n GLU 133 N -3.62 0.88 0.00 3.15 -0.58 -1.01 -4.17 120.64 115.29 2k9a n GLU 133 Ca -0.01 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.73 2k9a n GLU 133 Cb 0.38 -1.50 0.00 0.00 -0.57 0.00 0.00 31.44 29.75 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 1.02 -1.09 3.68 0.62 0.00 -0.76 -4.73 105.19 103.93 2k9a n GLY 134 Ca 0.22 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.81 2k9a n GLY 134 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2k9a s ARG 135 N -1.47 4.30 0.00 1.61 3.00 -1.26 -5.18 118.95 119.96 2k9a s ARG 135 Ca 0.00 1.76 0.00 0.00 0.00 0.00 0.00 55.73 57.49 2k9a s ARG 135 Cb 0.00 -3.63 0.00 0.00 0.00 0.00 0.00 34.95 31.32 2k9a s ARG 135 CO 0.00 -0.55 0.00 0.41 0.00 0.00 0.00 175.30 175.16