#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k9a n ASP 2 N 0.00 0.88 0.00 6.12 2.03 -1.26 -5.05 116.55 119.27 2k9a n ASP 2 Ca 0.00 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.31 2k9a n ASP 2 Cb 0.00 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.40 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 -2.25 0.00 -2.26 -1.67 0.00 -1.26 -4.60 120.51 108.47 2k9a n ALA 3 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.02 2k9a n ALA 3 Cb 0.20 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.62 2k9a n ALA 3 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2k9a s LEU 4 N 0.00 3.51 0.50 0.00 1.43 -1.26 -4.86 118.68 118.00 2k9a s LEU 4 Ca 0.00 0.78 0.24 0.00 -1.03 0.00 0.00 54.13 54.12 2k9a s LEU 4 Cb 0.00 -3.36 1.31 0.00 0.03 0.00 0.00 46.19 44.18 2k9a s LEU 4 CO 0.00 -1.63 2.04 1.05 0.23 0.00 0.00 176.35 178.04 2k9a h GLU 5 N 11.59 0.00 -6.07 1.70 4.11 -2.04 -3.43 114.58 120.43 2k9a h GLU 5 Ca -0.29 0.00 -0.52 0.00 0.07 0.00 0.00 59.36 58.62 2k9a h GLU 5 Cb 1.12 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 30.32 2k9a h GLU 5 CO 1.10 0.15 -0.44 0.20 0.07 0.00 0.00 179.01 180.10 2k9a s GLY 6 N -4.20 2.19 0.00 1.06 0.00 -1.26 -5.08 107.32 100.02 2k9a s GLY 6 Ca -0.03 -1.96 0.00 0.00 0.00 0.00 0.00 44.72 42.73 2k9a s GLY 6 CO 0.61 -1.78 0.00 -2.21 0.00 0.00 0.00 173.10 169.73 2k9a n GLU 7 N -1.40 0.00 0.00 2.90 4.07 -1.26 -5.05 120.64 119.90 2k9a n GLU 7 Ca 0.01 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.11 2k9a n GLU 7 Cb 0.63 0.00 0.00 0.00 -0.06 0.00 0.00 31.44 32.01 2k9a n GLU 7 CO 0.00 0.00 0.00 -1.13 -0.06 0.00 0.00 177.13 175.94 2k9a n SER 8 N -2.49 0.00 -1.24 4.31 3.41 -1.26 -5.16 113.62 111.20 2k9a n SER 8 Ca 0.00 0.00 0.11 0.00 -0.26 0.00 0.00 58.87 58.72 2k9a n SER 8 Cb 0.00 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 63.92 2k9a n SER 8 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 2k9a n PHE 9 N 0.00 -2.94 -1.59 7.33 3.72 -1.26 -4.90 117.46 117.83 2k9a n PHE 9 Ca 0.00 1.03 0.00 0.00 -0.05 0.00 0.00 57.45 58.43 2k9a n PHE 9 Cb 0.00 -1.79 0.00 0.00 -0.94 0.00 0.00 39.48 36.75 2k9a n PHE 9 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2k9a n ALA 10 N -1.31 1.05 -1.18 4.37 0.00 -1.26 -5.16 120.51 117.02 2k9a n ALA 10 Ca 0.01 0.00 0.09 0.00 0.00 0.00 0.00 53.44 53.53 2k9a n ALA 10 Cb 0.38 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.81 2k9a n ALA 10 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2k9a n LEU 11 N 0.00 0.00 0.00 0.00 4.77 -1.26 -4.73 117.00 115.77 2k9a n LEU 11 Ca 0.00 0.68 0.00 0.00 -0.03 0.00 0.00 56.01 56.66 2k9a n LEU 11 Cb 0.37 -1.90 0.00 0.00 -2.33 0.00 0.00 43.42 39.56 2k9a n LEU 11 CO 0.00 -2.07 0.00 -0.24 -1.33 0.00 0.00 177.39 173.75 2k9a n SER 12 N -3.58 0.00 -1.29 -1.43 2.88 -1.26 -4.88 113.62 104.06 2k9a n SER 12 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 2k9a n SER 12 Cb 0.29 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.75 2k9a n SER 12 CO 0.00 0.00 0.00 0.33 -1.23 0.00 0.00 175.04 174.14 2k9a n PHE 13 N 0.00 -3.48 -3.13 0.66 7.35 -1.26 -4.90 117.46 112.70 2k9a n PHE 13 Ca 0.00 1.84 -0.13 0.00 -0.76 0.00 0.00 57.45 58.40 2k9a n PHE 13 Cb 0.00 -3.03 0.01 0.00 0.35 0.00 0.00 39.48 36.82 2k9a n PHE 13 CO 0.00 0.00 0.00 -1.13 -0.76 0.00 0.00 176.76 174.87 2k9a n SER 14 N -0.50 -6.80 0.10 -2.13 3.41 -1.26 -4.90 113.62 101.54 2k9a n SER 14 Ca 0.00 0.47 0.00 0.00 -0.26 0.00 0.00 58.87 59.08 2k9a n SER 14 Cb 0.00 -3.03 0.00 0.00 -0.26 0.00 0.00 64.21 60.92 2k9a n SER 14 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 2k9a n SER 15 N 0.47 -1.76 0.32 4.04 2.88 -1.26 -4.44 113.62 113.86 2k9a n SER 15 Ca -0.00 0.59 0.16 0.00 -1.33 0.00 0.00 58.87 58.29 2k9a n SER 15 Cb 0.45 1.88 0.85 0.00 -0.75 0.00 0.00 64.21 66.64 2k9a n SER 15 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2k9a h ALA 16 N 0.00 1.25 0.00 -1.46 0.00 -1.94 0.54 119.26 117.66 2k9a h ALA 16 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 54.91 54.81 2k9a h ALA 16 Cb 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 17.79 17.58 2k9a h ALA 16 CO 0.00 -0.25 -0.77 0.45 0.00 0.00 0.00 179.25 178.68 2k9a n SER 17 N -2.84 1.18 0.00 0.00 2.88 -1.26 -4.18 113.62 109.41 2k9a n SER 17 Ca -0.02 -2.63 0.00 0.00 -1.33 0.00 0.00 58.87 54.89 2k9a n SER 17 Cb 0.31 -0.37 0.00 0.00 -0.75 0.00 0.00 64.21 63.40 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 -0.14 0.00 0.21 -3.46 -0.08 -0.30 -4.89 116.55 107.90 2k9a n ASP 18 Ca 0.10 0.00 -0.13 0.00 -1.51 0.00 0.00 54.79 53.25 2k9a n ASP 18 Cb 0.94 0.00 -0.07 0.00 2.34 0.00 0.00 41.12 44.33 2k9a n ASP 18 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2k9a h ALA 19 N 1.03 -0.58 -0.43 -1.67 0.00 -1.70 -1.79 119.26 114.12 2k9a h ALA 19 Ca 0.00 -0.19 -0.02 0.00 0.00 0.00 0.00 54.91 54.71 2k9a h ALA 19 Cb 0.00 0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.99 2k9a h ALA 19 CO 0.00 -0.63 0.20 1.49 0.00 0.00 0.00 179.25 180.32 2k9a h GLU 20 N -0.97 0.63 -0.40 0.00 4.57 -0.31 -2.35 114.58 115.74 2k9a h GLU 20 Ca -0.06 -0.10 0.05 0.00 -1.18 0.00 0.00 59.36 58.08 2k9a h GLU 20 Cb 0.56 -0.11 -0.05 0.00 -0.16 0.00 0.00 28.75 28.99 2k9a h GLU 20 CO 0.10 0.55 0.13 0.35 -1.18 0.00 0.00 179.01 178.95 2k9a h PHE 21 N 0.56 0.23 -1.01 0.92 3.04 -1.48 -1.57 116.94 117.64 2k9a h PHE 21 Ca 0.15 0.02 0.04 0.00 3.98 0.00 0.00 57.97 62.16 2k9a h PHE 21 Cb 0.13 -0.04 -0.06 0.00 2.56 0.00 0.00 35.95 38.54 2k9a h PHE 21 CO -0.01 0.08 0.66 0.22 -2.02 0.00 0.00 178.31 177.24 2k9a h ASP 22 N 0.28 1.10 -0.61 0.41 3.58 -1.14 -1.98 116.42 118.06 2k9a h ASP 22 Ca 0.19 -0.01 0.03 0.00 0.42 0.00 0.00 57.03 57.65 2k9a h ASP 22 Cb 0.18 -0.25 -0.04 0.00 1.72 0.00 0.00 39.33 40.94 2k9a h ASP 22 CO -0.20 0.75 0.37 0.00 -2.88 0.00 0.00 179.24 177.28 2k9a h ALA 23 N 1.41 0.79 -0.71 -0.78 0.00 -0.77 -2.24 119.26 116.96 2k9a h ALA 23 Ca 0.40 -0.01 0.03 0.00 0.00 0.00 0.00 54.91 55.33 2k9a h ALA 23 Cb 0.00 -0.18 -0.05 0.00 0.00 0.00 0.00 17.79 17.57 2k9a h ALA 23 CO -0.13 0.10 0.44 0.28 0.00 0.00 0.00 179.25 179.95 2k9a h VAL 24 N 0.73 1.08 -0.77 0.00 2.07 -0.67 -2.13 116.25 116.56 2k9a h VAL 24 Ca 0.25 -0.29 0.08 0.00 0.82 0.00 0.00 66.70 67.55 2k9a h VAL 24 Cb 0.03 0.15 -0.07 0.00 -1.52 0.00 0.00 31.29 29.89 2k9a h VAL 24 CO -0.11 0.16 0.44 0.58 0.02 0.00 0.00 177.57 178.66 2k9a h VAL 25 N 0.85 0.94 0.25 2.57 2.07 -1.00 -1.48 116.25 120.45 2k9a h VAL 25 Ca 0.29 -0.27 -0.01 0.00 0.82 0.00 0.00 66.70 67.53 2k9a h VAL 25 Cb 0.04 0.10 0.00 0.00 -1.52 0.00 0.00 31.29 29.92 2k9a h VAL 25 CO -0.12 0.14 -0.12 1.23 0.02 0.00 0.00 177.57 178.72 2k9a h GLY 26 N 0.77 -0.35 1.21 2.17 0.00 -1.04 -2.24 103.07 103.59 2k9a h GLY 26 Ca 0.36 0.13 0.08 0.00 0.00 0.00 0.00 47.33 47.90 2k9a h GLY 26 CO -0.22 -0.13 0.34 -0.97 0.00 0.00 0.00 176.54 175.56 2k9a h TYR 27 N -0.39 0.34 -0.13 5.60 0.05 -1.13 -1.92 116.97 119.40 2k9a h TYR 27 Ca -0.03 0.01 -0.01 0.00 0.05 0.00 0.00 58.73 58.74 2k9a h TYR 27 Cb 0.29 -0.11 -0.01 0.00 1.01 0.00 0.00 36.73 37.92 2k9a h TYR 27 CO -0.05 0.17 0.03 -0.07 -1.05 0.00 0.00 178.16 177.20 2k9a h LEU 28 N 0.33 0.20 -0.91 3.88 3.38 -0.89 -2.90 115.31 118.41 2k9a h LEU 28 Ca 0.23 -0.24 0.09 0.00 0.09 0.00 0.00 57.88 58.04 2k9a h LEU 28 Cb 0.46 -0.05 -0.07 0.00 0.09 0.00 0.00 40.66 41.09 2k9a h LEU 28 CO -0.05 0.39 0.56 -0.33 0.09 0.00 0.00 178.44 179.09 2k9a h GLU 29 N 0.01 0.93 -0.25 1.13 5.08 -0.77 -0.23 114.58 120.47 2k9a h GLU 29 Ca 0.04 -0.06 -0.00 0.00 -1.00 0.00 0.00 59.36 58.34 2k9a h GLU 29 Cb 0.27 -0.21 -0.01 0.00 0.50 0.00 0.00 28.75 29.30 2k9a h GLU 29 CO 0.00 0.61 0.14 -0.44 -1.00 0.00 0.00 179.01 178.32 2k9a h ASP 30 N 0.96 0.29 0.55 1.42 3.32 -1.34 -2.09 116.42 119.53 2k9a h ASP 30 Ca 0.42 -0.01 -0.25 0.00 0.02 0.00 0.00 57.03 57.21 2k9a h ASP 30 Cb 0.31 -0.07 0.00 0.00 0.22 0.00 0.00 39.33 39.79 2k9a h ASP 30 CO -0.22 0.24 -1.12 0.40 -1.72 0.00 0.00 179.24 176.81 2k9a h ILE 31 N 0.34 1.48 -0.73 0.35 2.04 -0.90 -2.89 117.51 117.19 2k9a h ILE 31 Ca 0.09 -2.86 -0.06 0.00 1.00 0.00 0.00 64.86 63.02 2k9a h ILE 31 Cb 0.01 2.76 -0.03 0.00 -0.74 0.00 0.00 36.82 38.81 2k9a h ILE 31 CO -0.02 0.84 0.21 0.40 0.00 0.00 0.00 178.15 179.58 2k9a h ILE 32 N 0.12 1.26 -0.44 -0.67 2.04 -0.59 -2.29 117.51 116.94 2k9a h ILE 32 Ca -0.11 -0.94 0.00 0.00 1.00 0.00 0.00 64.86 64.81 2k9a h ILE 32 Cb 1.82 0.48 0.00 0.00 -0.74 0.00 0.00 36.82 38.37 2k9a h ILE 32 CO 0.19 0.37 0.00 0.23 0.00 0.00 0.00 178.15 178.93 2k9a n MET 33 N -4.24 2.11 -2.44 2.37 2.81 -0.87 -4.78 117.12 112.09 2k9a n MET 33 Ca 0.06 -1.61 -0.42 0.00 -1.81 0.00 0.00 57.70 53.92 2k9a n MET 33 Cb 0.24 -1.38 -0.03 0.00 -0.71 0.00 0.00 33.22 31.34 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 -0.96 7.10 0.17 7.83 -1.08 -0.86 -4.94 116.67 123.92 2k9a s ASP 34 Ca 0.30 2.01 -0.14 0.00 -0.52 0.00 0.00 52.55 54.20 2k9a s ASP 34 Cb 0.16 -2.58 0.12 0.00 -1.46 0.00 0.00 42.92 39.16 2k9a s ASP 34 CO 0.19 -0.45 1.77 -2.24 0.52 0.00 0.00 175.17 174.97 2k9a h ASP 35 N 6.67 0.27 0.04 -0.34 2.03 -1.90 -1.01 116.42 122.17 2k9a h ASP 35 Ca -0.42 0.04 -0.02 0.00 -0.73 0.00 0.00 57.03 55.90 2k9a h ASP 35 Cb 1.21 -0.01 -0.00 0.00 -0.83 0.00 0.00 39.33 39.70 2k9a h ASP 35 CO 0.80 0.19 -0.06 -0.08 -1.03 0.00 0.00 179.24 179.07 2k9a h GLU 36 N 0.41 0.06 -0.28 4.15 4.57 -1.94 -1.81 114.58 119.74 2k9a h GLU 36 Ca 0.21 -0.01 -0.15 0.00 -1.18 0.00 0.00 59.36 58.23 2k9a h GLU 36 Cb 0.15 -0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 28.72 2k9a h GLU 36 CO -0.17 0.12 -0.43 0.35 -1.18 0.00 0.00 179.01 177.70 2k9a h PHE 37 N 0.06 0.82 -0.22 0.92 3.57 -1.48 -2.31 116.94 118.30 2k9a h PHE 37 Ca 0.01 -0.25 -0.12 0.00 3.53 0.00 0.00 57.97 61.14 2k9a h PHE 37 Cb 0.14 -0.17 -0.01 0.00 2.79 0.00 0.00 35.95 38.70 2k9a h PHE 37 CO 0.00 0.99 -0.38 1.96 -2.23 0.00 0.00 178.31 178.65 2k9a h GLN 38 N 0.55 0.50 0.04 1.11 1.08 -0.59 -0.81 115.11 117.00 2k9a h GLN 38 Ca 0.04 -0.24 -0.00 0.00 -1.45 0.00 0.00 58.65 56.99 2k9a h GLN 38 Cb 0.97 -0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.39 2k9a h GLN 38 CO 0.09 0.81 -0.02 1.25 -0.95 0.00 0.00 178.83 180.01 2k9a h LEU 39 N 0.42 -0.05 0.06 1.46 6.46 -1.31 -1.99 115.31 120.37 2k9a h LEU 39 Ca 0.04 -0.41 -0.00 0.00 -0.12 0.00 0.00 57.88 57.39 2k9a h LEU 39 Cb 0.86 0.01 0.00 0.00 -0.73 0.00 0.00 40.66 40.80 2k9a h LEU 39 CO 0.07 0.39 -0.03 0.25 -0.62 0.00 0.00 178.44 178.50 2k9a h LEU 40 N -0.49 -0.07 -0.86 2.25 6.46 -1.43 -1.13 115.31 120.03 2k9a h LEU 40 Ca -0.01 -0.23 0.07 0.00 -0.12 0.00 0.00 57.88 57.59 2k9a h LEU 40 Cb 0.45 0.02 -0.06 0.00 -0.73 0.00 0.00 40.66 40.33 2k9a h LEU 40 CO 0.01 0.19 0.53 -0.61 -0.62 0.00 0.00 178.44 177.94 2k9a h GLN 41 N -0.33 0.92 -0.15 1.25 5.75 -1.24 -1.64 115.11 119.67 2k9a h GLN 41 Ca -0.01 -0.06 -0.13 0.00 -0.15 0.00 0.00 58.65 58.30 2k9a h GLN 41 Cb 0.29 -0.21 -0.01 0.00 1.07 0.00 0.00 27.48 28.62 2k9a h GLN 41 CO 0.01 0.61 -0.48 -0.09 -2.65 0.00 0.00 178.83 176.24 2k9a h ARG 42 N 0.95 0.40 -0.37 1.69 2.43 -1.30 -1.44 114.38 116.74 2k9a h ARG 42 Ca 0.38 -0.22 0.02 0.00 -0.81 0.00 0.00 59.98 59.36 2k9a h ARG 42 Cb 0.20 0.01 -0.03 0.00 -0.42 0.00 0.00 29.97 29.74 2k9a h ARG 42 CO -0.18 0.79 0.19 -0.97 -1.51 0.00 0.00 179.97 178.29 2k9a h ASN 43 N 0.32 0.29 0.04 -3.80 -0.73 -0.24 -1.19 115.58 110.27 2k9a h ASN 43 Ca 0.02 0.01 -0.07 0.00 1.87 0.00 0.00 56.30 58.14 2k9a h ASN 43 Cb 0.96 -0.04 0.01 0.00 0.27 0.00 0.00 38.32 39.51 2k9a h ASN 43 CO 0.08 0.21 -0.28 -0.26 -0.37 0.00 0.00 177.43 176.81 2k9a h PHE 44 N 0.40 0.21 -0.24 0.67 -1.00 -1.46 -3.28 116.94 112.25 2k9a h PHE 44 Ca 0.15 -0.14 0.07 0.00 2.81 0.00 0.00 57.97 60.86 2k9a h PHE 44 Cb 0.05 -0.01 -0.01 0.00 3.61 0.00 0.00 35.95 39.59 2k9a h PHE 44 CO -0.09 1.06 0.30 0.52 -1.61 0.00 0.00 178.31 178.49 2k9a h MET 45 N -0.69 0.00 -0.33 1.51 2.86 -1.25 -0.37 114.93 116.66 2k9a h MET 45 Ca -0.05 0.00 0.07 0.00 -2.06 0.00 0.00 59.70 57.67 2k9a h MET 45 Cb 1.16 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.81 2k9a h MET 45 CO 0.05 0.00 0.23 0.22 1.06 0.00 0.00 176.91 178.47 2k9a h ASP 46 N 0.00 0.11 0.04 1.22 3.58 -1.27 -2.19 116.42 117.91 2k9a h ASP 46 Ca 0.11 0.00 -0.38 0.00 0.42 0.00 0.00 57.03 57.18 2k9a h ASP 46 Cb 0.71 -0.02 -0.06 0.00 1.72 0.00 0.00 39.33 41.68 2k9a h ASP 46 CO -0.00 0.07 -2.36 0.29 -2.88 0.00 0.00 179.24 174.36 2k9a n LYS 47 N -4.47 0.68 -0.02 0.28 4.76 -0.18 -4.32 118.16 114.89 2k9a n LYS 47 Ca 0.04 0.17 -0.09 0.00 -2.87 0.00 0.00 58.31 55.56 2k9a n LYS 47 Cb 0.32 -1.57 -0.03 0.00 -1.84 0.00 0.00 35.03 31.92 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 -0.34 0.00 2.13 -1.99 -1.30 -0.38 116.97 115.11 2k9a h TYR 48 Ca -0.54 0.02 0.00 0.00 2.00 0.00 0.00 58.73 60.21 2k9a h TYR 48 Cb 1.96 0.18 0.00 0.00 2.00 0.00 0.00 36.73 40.86 2k9a h TYR 48 CO 0.04 -0.20 0.00 0.10 -0.00 0.00 0.00 178.16 178.10 2k9a h TYR 49 N -0.15 0.00 0.09 4.88 -0.00 -1.63 -1.51 116.97 118.65 2k9a h TYR 49 Ca 0.10 0.00 -0.15 0.00 -0.00 0.00 0.00 58.73 58.69 2k9a h TYR 49 Cb 0.30 0.00 0.01 0.00 -0.00 0.00 0.00 36.73 37.04 2k9a h TYR 49 CO -0.27 0.00 -0.69 -0.07 -0.00 0.00 0.00 178.16 177.13 2k9a h LEU 50 N 0.00 0.28 -0.34 0.10 3.38 -1.27 -3.36 115.31 114.10 2k9a h LEU 50 Ca 0.00 -0.92 -0.19 0.00 0.09 0.00 0.00 57.88 56.86 2k9a h LEU 50 Cb 0.08 -0.09 -0.00 0.00 0.09 0.00 0.00 40.66 40.73 2k9a h LEU 50 CO 0.00 1.32 -0.60 -0.08 0.09 0.00 0.00 178.44 179.17 2k9a h GLU 51 N -0.59 0.75 -5.82 1.13 4.57 -1.01 -3.39 114.58 110.20 2k9a h GLU 51 Ca -0.14 -0.50 -0.38 0.00 -1.18 0.00 0.00 59.36 57.17 2k9a h GLU 51 Cb 1.45 0.07 -0.06 0.00 -0.16 0.00 0.00 28.75 30.04 2k9a h GLU 51 CO 0.07 1.12 0.94 -0.06 -1.18 0.00 0.00 179.01 179.90 2k9a s PHE 52 N -4.00 2.00 0.17 0.92 0.40 -0.61 -4.95 117.98 111.91 2k9a s PHE 52 Ca -0.09 0.24 0.02 0.00 -0.60 0.00 0.00 56.93 56.50 2k9a s PHE 52 Cb 0.10 -4.22 -0.04 0.00 0.51 0.00 0.00 43.02 39.38 2k9a s PHE 52 CO 0.88 -1.80 0.32 -1.21 0.70 0.00 0.00 175.22 174.10 2k9a s GLU 53 N 6.47 3.46 -0.91 0.44 0.41 -1.26 -4.84 118.70 122.47 2k9a s GLU 53 Ca 0.64 -0.55 -0.23 0.00 -0.41 0.00 0.00 54.97 54.41 2k9a s GLU 53 Cb -0.05 -2.93 0.06 0.00 -1.78 0.00 0.00 34.13 29.44 2k9a s GLU 53 CO -0.03 0.48 1.31 0.34 -0.49 0.00 0.00 175.26 176.87 2k9a s ASP 54 N -3.31 6.41 0.10 -0.19 -1.08 -1.26 -4.96 116.67 112.39 2k9a s ASP 54 Ca 0.35 -1.28 -0.01 0.00 -0.52 0.00 0.00 52.55 51.09 2k9a s ASP 54 Cb -0.11 -2.52 -0.04 0.00 -1.46 0.00 0.00 42.92 38.79 2k9a s ASP 54 CO 0.29 -1.50 0.02 0.42 0.52 0.00 0.00 175.17 174.91 2k9a s THR 55 N 4.66 0.21 -1.62 1.71 -4.23 -1.26 -5.04 115.64 110.08 2k9a s THR 55 Ca 0.39 -1.88 0.28 0.00 -1.18 0.00 0.00 61.69 59.29 2k9a s THR 55 Cb -0.04 -1.85 0.35 0.00 1.34 0.00 0.00 72.50 72.30 2k9a s THR 55 CO -0.02 -0.67 1.73 -0.62 -0.54 0.00 0.00 174.62 174.49 2k9a n GLU 56 N -0.03 0.67 -4.11 3.99 1.02 -1.26 -4.78 120.64 116.14 2k9a n GLU 56 Ca -0.09 -0.30 -0.35 0.00 -0.02 0.00 0.00 57.16 56.40 2k9a n GLU 56 Cb 0.63 -1.49 -0.13 0.00 -0.02 0.00 0.00 31.44 30.42 2k9a n GLU 56 CO 0.00 0.00 0.00 -2.00 1.18 0.00 0.00 177.13 176.31 2k9a s GLU 57 N -2.54 3.54 0.28 3.49 2.56 -1.26 -5.11 118.70 119.66 2k9a s GLU 57 Ca 0.25 -0.56 0.05 0.00 0.00 0.00 0.00 54.97 54.71 2k9a s GLU 57 Cb 0.20 -3.02 -0.02 0.00 2.00 0.00 0.00 34.13 33.28 2k9a s GLU 57 CO 0.51 -0.01 0.41 0.54 -0.56 0.00 0.00 175.26 176.15 2k9a s ASN 58 N 1.04 6.22 0.27 -1.70 4.22 -1.26 -5.10 114.94 118.63 2k9a s ASN 58 Ca 0.01 0.06 0.03 0.00 -2.14 0.00 0.00 52.86 50.82 2k9a s ASN 58 Cb -0.14 -1.72 -0.06 0.00 1.28 0.00 0.00 41.25 40.61 2k9a s ASN 58 CO 0.01 -0.20 0.03 -0.54 -2.04 0.00 0.00 177.10 174.36 2k9a s LYS 59 N -4.08 1.47 0.19 3.55 1.02 -1.26 -5.04 119.74 115.60 2k9a s LYS 59 Ca 0.38 -1.78 0.26 0.00 0.02 0.00 0.00 55.97 54.85 2k9a s LYS 59 Cb -0.09 -0.68 0.83 0.00 -0.52 0.00 0.00 37.83 37.37 2k9a s LYS 59 CO 0.30 -0.15 1.78 1.28 -0.92 0.00 0.00 175.35 177.64 2k9a n LEU 60 N -0.53 0.76 0.30 3.17 7.99 -1.26 -3.37 117.00 124.07 2k9a n LEU 60 Ca -0.03 0.56 0.18 0.00 -0.01 0.00 0.00 56.01 56.71 2k9a n LEU 60 Cb 0.65 -0.33 0.95 0.00 -0.11 0.00 0.00 43.42 44.59 2k9a n LEU 60 CO 0.39 -0.17 1.09 -0.29 -1.51 0.00 0.00 177.39 176.90 2k9a h ILE 61 N 0.00 0.20 0.00 -0.08 6.09 -2.02 -1.52 117.51 120.17 2k9a h ILE 61 Ca 0.00 -0.25 0.00 0.00 -1.37 0.00 0.00 64.86 63.24 2k9a h ILE 61 Cb 0.72 1.20 0.00 0.00 0.47 0.00 0.00 36.82 39.21 2k9a h ILE 61 CO 0.00 0.03 0.00 1.88 -3.07 0.00 0.00 178.15 176.99 2k9a h TYR 62 N 0.00 0.00 0.10 2.19 -1.99 -1.99 -2.88 116.97 112.40 2k9a h TYR 62 Ca -0.00 0.00 -0.01 0.00 2.00 0.00 0.00 58.73 60.72 2k9a h TYR 62 Cb 0.20 0.00 0.00 0.00 2.00 0.00 0.00 36.73 38.93 2k9a h TYR 62 CO 0.00 0.00 -0.05 1.15 -0.00 0.00 0.00 178.16 179.26 2k9a h THR 63 N 0.00 1.07 -0.58 -2.88 2.02 -1.52 -2.39 112.91 108.63 2k9a h THR 63 Ca 0.00 -1.28 -0.05 0.00 0.77 0.00 0.00 66.41 65.85 2k9a h THR 63 Cb 0.49 1.80 -0.02 0.00 -1.74 0.00 0.00 68.15 68.68 2k9a h THR 63 CO 0.00 0.28 0.16 1.55 0.37 0.00 0.00 175.52 177.88 2k9a h PRO 64 N -0.80 0.92 -0.62 6.66 0.13 -1.69 -2.49 132.00 134.10 2k9a h PRO 64 Ca -0.01 -0.21 0.01 0.00 -0.87 0.00 0.00 66.00 64.92 2k9a h PRO 64 Cb 0.57 -0.13 -0.03 0.00 0.13 0.00 0.00 31.00 31.54 2k9a h PRO 64 CO 0.02 0.84 0.41 0.82 -0.23 0.00 0.00 178.00 179.86 2k9a h ILE 65 N 0.83 1.14 -0.62 -3.56 2.04 -1.62 -2.13 117.51 113.60 2k9a h ILE 65 Ca 0.19 -0.28 0.02 0.00 1.00 0.00 0.00 64.86 65.78 2k9a h ILE 65 Cb 0.32 0.25 -0.03 0.00 -0.74 0.00 0.00 36.82 36.61 2k9a h ILE 65 CO -0.00 0.15 0.40 0.15 0.00 0.00 0.00 178.15 178.84 2k9a h PHE 66 N 0.82 0.75 -0.79 1.37 3.57 -1.26 -1.79 116.94 119.60 2k9a h PHE 66 Ca 0.23 0.02 0.04 0.00 3.53 0.00 0.00 57.97 61.79 2k9a h PHE 66 Cb -0.08 -0.25 -0.05 0.00 2.79 0.00 0.00 35.95 38.37 2k9a h PHE 66 CO -0.03 0.45 0.52 -0.91 -2.23 0.00 0.00 178.31 176.11 2k9a h ASN 67 N 0.79 0.82 -0.47 0.41 2.35 -0.99 -1.22 115.58 117.27 2k9a h ASN 67 Ca 0.24 -0.01 -0.05 0.00 -0.55 0.00 0.00 56.30 55.93 2k9a h ASN 67 Cb -0.04 -0.18 -0.02 0.00 0.05 0.00 0.00 38.32 38.12 2k9a h ASN 67 CO -0.07 0.55 0.13 -0.08 -1.65 0.00 0.00 177.43 176.31 2k9a h GLU 68 N 0.94 0.81 -0.21 0.81 4.57 -0.70 -1.52 114.58 119.28 2k9a h GLU 68 Ca 0.32 -0.16 -0.10 0.00 -1.18 0.00 0.00 59.36 58.24 2k9a h GLU 68 Cb 0.10 -0.12 -0.01 0.00 -0.16 0.00 0.00 28.75 28.55 2k9a h GLU 68 CO -0.10 0.73 -0.29 -0.92 -1.18 0.00 0.00 179.01 177.25 2k9a h TYR 69 N 0.78 0.48 0.00 0.92 3.20 -0.79 0.12 116.97 121.68 2k9a h TYR 69 Ca 0.17 -0.11 -0.14 0.00 3.14 0.00 0.00 58.73 61.80 2k9a h TYR 69 Cb 0.29 -0.11 -0.02 0.00 1.54 0.00 0.00 36.73 38.42 2k9a h TYR 69 CO 0.02 0.67 -0.67 0.82 -1.64 0.00 0.00 178.16 177.36 2k9a h ILE 70 N 0.37 1.42 0.00 1.81 1.08 -0.86 -0.21 117.51 121.12 2k9a h ILE 70 Ca 0.05 -2.35 -0.15 0.00 -0.39 0.00 0.00 64.86 62.03 2k9a h ILE 70 Cb 0.70 2.29 -0.02 0.00 -3.07 0.00 0.00 36.82 36.71 2k9a h ILE 70 CO 0.05 0.66 -1.28 -1.28 -0.69 0.00 0.00 178.15 175.61 2k9a h SER 71 N 0.00 0.00 0.00 1.72 0.87 -1.04 -2.53 113.55 112.57 2k9a h SER 71 Ca -0.01 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.55 2k9a h SER 71 Cb 1.23 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.19 2k9a h SER 71 CO 0.09 0.51 -0.34 -0.11 -0.53 0.00 0.00 176.83 176.45 2k9a n LEU 72 N -2.90 1.18 0.10 2.23 -0.00 0.38 -4.15 117.00 113.84 2k9a n LEU 72 Ca -0.08 0.49 -0.05 0.00 -0.00 0.00 0.00 56.01 56.37 2k9a n LEU 72 Cb 0.80 -0.74 -0.02 0.00 -0.00 0.00 0.00 43.42 43.46 2k9a n LEU 72 CO 0.42 -0.48 0.15 0.58 -0.00 0.00 0.00 177.39 178.07 2k9a h VAL 73 N -0.65 0.00 -0.91 1.96 2.07 -1.24 -2.40 116.25 115.08 2k9a h VAL 73 Ca 0.00 -0.60 0.12 0.00 0.82 0.00 0.00 66.70 67.04 2k9a h VAL 73 Cb 0.34 0.00 -0.07 0.00 -1.52 0.00 0.00 31.29 30.04 2k9a h VAL 73 CO 0.00 0.00 0.58 -0.08 0.02 0.00 0.00 177.57 178.09 2k9a h GLU 74 N -0.93 0.82 -0.28 1.57 4.81 -1.55 -0.96 114.58 118.06 2k9a h GLU 74 Ca -0.03 -0.05 -0.16 0.00 -0.13 0.00 0.00 59.36 58.99 2k9a h GLU 74 Cb 0.26 -0.18 -0.01 0.00 0.63 0.00 0.00 28.75 29.45 2k9a h GLU 74 CO 0.06 0.54 -0.47 -0.22 -0.73 0.00 0.00 179.01 178.19 2k9a h LYS 75 N 0.84 0.74 -0.59 1.92 3.64 -1.57 -2.67 116.57 118.87 2k9a h LYS 75 Ca 0.44 -0.42 0.04 0.00 -1.27 0.00 0.00 60.65 59.44 2k9a h LYS 75 Cb 0.52 0.03 -0.04 0.00 -0.41 0.00 0.00 32.23 32.33 2k9a h LYS 75 CO -0.20 1.05 0.34 -0.92 -2.27 0.00 0.00 179.45 177.44 2k9a h TYR 76 N 0.59 0.62 -0.63 1.91 3.20 -0.65 -1.31 116.97 120.71 2k9a h TYR 76 Ca 0.03 0.02 -0.06 0.00 3.14 0.00 0.00 58.73 61.87 2k9a h TYR 76 Cb 1.03 -0.19 -0.03 0.00 1.54 0.00 0.00 36.73 39.08 2k9a h TYR 76 CO 0.05 0.33 0.18 0.82 -1.64 0.00 0.00 178.16 177.90 2k9a h ILE 77 N 0.65 1.25 0.02 1.81 2.04 -1.37 -2.26 117.51 119.64 2k9a h ILE 77 Ca 0.25 -0.88 0.00 0.00 1.00 0.00 0.00 64.86 65.23 2k9a h ILE 77 Cb 0.10 0.62 -0.00 0.00 -0.74 0.00 0.00 36.82 36.80 2k9a h ILE 77 CO -0.14 0.33 -0.02 -0.08 0.00 0.00 0.00 178.15 178.24 2k9a h GLU 78 N 0.91 -0.05 -0.04 2.37 4.22 -1.05 -1.90 114.58 119.04 2k9a h GLU 78 Ca 0.20 0.00 -0.00 0.00 0.08 0.00 0.00 59.36 59.64 2k9a h GLU 78 Cb 0.32 0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.58 2k9a h GLU 78 CO -0.00 -0.04 0.03 0.93 -2.18 0.00 0.00 179.01 177.75 2k9a h GLU 79 N -0.05 0.06 -0.14 1.92 5.08 -1.20 -1.90 114.58 118.34 2k9a h GLU 79 Ca 0.00 -0.01 0.04 0.00 -1.00 0.00 0.00 59.36 58.40 2k9a h GLU 79 Cb 0.06 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.29 2k9a h GLU 79 CO -0.01 0.10 0.11 1.96 -1.00 0.00 0.00 179.01 180.16 2k9a h GLN 80 N 0.00 0.00 0.15 2.33 1.08 -1.33 -1.83 115.11 115.51 2k9a h GLN 80 Ca 0.02 0.00 -0.30 0.00 -1.45 0.00 0.00 58.65 56.92 2k9a h GLN 80 Cb 0.05 0.00 0.03 0.00 -0.05 0.00 0.00 27.48 27.51 2k9a h GLN 80 CO -0.00 0.00 -1.29 -0.07 -0.95 0.00 0.00 178.83 176.52 2k9a h LEU 81 N 0.00 0.76 -1.52 1.46 3.38 -0.96 -3.25 115.31 115.18 2k9a h LEU 81 Ca 0.06 -0.74 -0.03 0.00 0.09 0.00 0.00 57.88 57.27 2k9a h LEU 81 Cb 0.27 -0.24 -0.00 0.00 0.09 0.00 0.00 40.66 40.78 2k9a h LEU 81 CO -0.00 1.56 -0.12 -0.07 0.09 0.00 0.00 178.44 179.90 2k9a h LEU 82 N 0.20 0.00 -1.86 1.67 -0.00 -0.57 -2.52 115.31 112.23 2k9a h LEU 82 Ca -0.19 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.69 2k9a h LEU 82 Cb 1.97 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 42.63 2k9a h LEU 82 CO 0.24 0.12 0.25 1.56 -0.00 0.00 0.00 178.44 180.61 2k9a h GLN 83 N 0.00 0.00 0.00 1.13 1.08 -1.41 -1.76 115.11 114.15 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 0.53 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.96 2k9a h GLN 83 CO 0.02 0.00 -0.81 0.54 -0.95 0.00 0.00 178.83 177.63 2k9a n ARG 84 N -2.69 1.17 -3.76 1.46 1.74 -1.05 -4.95 116.66 108.58 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 0.30 -0.90 -0.14 0.00 -1.02 0.00 0.00 32.46 30.70 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 -1.67 1.33 -0.79 0.55 1.01 -0.66 -4.96 121.20 116.01 2k9a s ILE 85 Ca 0.00 -2.13 0.22 0.00 0.00 0.00 0.00 60.65 58.74 2k9a s ILE 85 Cb 0.00 -1.96 0.21 0.00 0.01 0.00 0.00 42.46 40.72 2k9a s ILE 85 CO 0.00 -0.78 1.68 -0.81 0.00 0.00 0.00 174.94 175.02 2k9a n PRO 86 N 4.09 0.10 -0.44 2.79 -0.04 -1.23 -2.37 135.00 137.90 2k9a n PRO 86 Ca 0.04 0.25 0.08 0.00 -0.04 0.00 0.00 63.50 63.83 2k9a n PRO 86 Cb 0.38 -1.67 0.26 0.00 -0.04 0.00 0.00 33.50 32.44 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 -1.85 3.24 -1.95 0.54 -0.58 -1.26 -5.02 120.64 113.75 2k9a n GLU 87 Ca 0.04 -2.67 -0.37 0.00 -0.42 0.00 0.00 57.16 53.74 2k9a n GLU 87 Cb 0.26 -1.74 0.03 0.00 -0.57 0.00 0.00 31.44 29.43 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 -2.15 2.38 -0.47 -0.32 5.36 -1.00 -5.01 117.98 116.78 2k9a s PHE 88 Ca 0.40 1.48 0.03 0.00 -0.96 0.00 0.00 56.93 57.87 2k9a s PHE 88 Cb 0.29 -3.58 0.15 0.00 -0.34 0.00 0.00 43.02 39.53 2k9a s PHE 88 CO 0.14 -2.39 0.30 -0.80 -1.46 0.00 0.00 175.22 171.01 2k9a s ASN 89 N -1.37 3.30 0.55 6.13 -0.87 -1.26 -4.96 114.94 116.47 2k9a s ASN 89 Ca 0.75 -2.87 0.26 0.00 -1.57 0.00 0.00 52.86 49.43 2k9a s ASN 89 Cb -0.34 -0.94 1.57 0.00 -0.02 0.00 0.00 41.25 41.52 2k9a s ASN 89 CO 0.38 -0.22 2.16 -0.03 -2.57 0.00 0.00 177.10 176.82 2k9a h MET 90 N 6.31 0.00 0.59 -0.60 4.05 -1.98 0.17 114.93 123.48 2k9a h MET 90 Ca 0.08 0.00 -0.03 0.00 -0.28 0.00 0.00 59.70 59.47 2k9a h MET 90 Cb 0.90 0.00 0.01 0.00 -0.80 0.00 0.00 31.60 31.71 2k9a h MET 90 CO 0.48 0.06 -0.28 0.00 0.23 0.00 0.00 176.91 177.39 2k9a h ALA 91 N 1.94 -0.79 0.00 0.39 0.00 -2.00 -1.93 119.26 116.86 2k9a h ALA 91 Ca -0.00 -0.20 -0.07 0.00 0.00 0.00 0.00 54.91 54.64 2k9a h ALA 91 Cb 0.15 0.31 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 2k9a h ALA 91 CO 0.01 -0.80 -0.32 0.00 0.00 0.00 0.00 179.25 178.14 2k9a h ALA 92 N -0.90 1.07 0.15 0.00 0.00 -1.96 -2.82 119.26 114.81 2k9a h ALA 92 Ca -0.08 -0.29 -0.01 0.00 0.00 0.00 0.00 54.91 54.53 2k9a h ALA 92 Cb 0.66 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.40 2k9a h ALA 92 CO 0.13 0.40 -0.07 0.35 0.00 0.00 0.00 179.25 180.06 2k9a h PHE 93 N 0.00 -0.19 -0.33 0.00 3.57 -0.94 -1.99 116.94 117.07 2k9a h PHE 93 Ca -0.00 -0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.47 2k9a h PHE 93 Cb 0.78 0.06 -0.01 0.00 2.79 0.00 0.00 35.95 39.57 2k9a h PHE 93 CO 0.00 0.10 0.12 1.79 -2.23 0.00 0.00 178.31 178.09 2k9a h THR 94 N -0.48 1.19 -0.31 4.41 1.35 -1.34 0.96 112.91 118.69 2k9a h THR 94 Ca -0.02 -0.60 0.05 0.00 -0.55 0.00 0.00 66.41 65.29 2k9a h THR 94 Cb 0.37 0.98 -0.05 0.00 -1.73 0.00 0.00 68.15 67.73 2k9a h THR 94 CO 0.03 0.21 0.01 0.71 -0.25 0.00 0.00 175.52 176.23 2k9a h THR 95 N 0.37 0.79 0.00 6.82 1.35 -1.53 -1.55 112.91 119.16 2k9a h THR 95 Ca 0.11 -0.04 -0.11 0.00 -0.55 0.00 0.00 66.41 65.83 2k9a h THR 95 Cb 0.21 0.67 -0.02 0.00 -1.73 0.00 0.00 68.15 67.29 2k9a h THR 95 CO -0.01 0.02 -0.51 0.74 -0.25 0.00 0.00 175.52 175.51 2k9a h THR 96 N 0.10 1.34 -0.82 6.82 2.02 -1.25 -3.04 112.91 118.07 2k9a h THR 96 Ca 0.15 -1.76 0.01 0.00 0.77 0.00 0.00 66.41 65.58 2k9a h THR 96 Cb 0.19 1.95 -0.04 0.00 -1.74 0.00 0.00 68.15 68.52 2k9a h THR 96 CO -0.24 0.50 0.54 0.25 0.37 0.00 0.00 175.52 176.94 2k9a h LEU 97 N 0.00 0.95 -1.95 2.58 6.46 0.19 -0.07 115.31 123.47 2k9a h LEU 97 Ca -0.01 -0.03 0.12 0.00 -0.12 0.00 0.00 57.88 57.85 2k9a h LEU 97 Cb 0.91 -0.24 -0.02 0.00 -0.73 0.00 0.00 40.66 40.59 2k9a h LEU 97 CO 0.07 0.69 0.47 1.56 -0.62 0.00 0.00 178.44 180.60 2k9a h GLN 98 N 1.12 0.00 0.00 1.25 1.08 -1.30 0.01 115.11 117.26 2k9a h GLN 98 Ca 0.30 0.00 -0.32 0.00 -1.45 0.00 0.00 58.65 57.18 2k9a h GLN 98 Cb -0.13 0.00 -0.06 0.00 -0.05 0.00 0.00 27.48 27.24 2k9a h GLN 98 CO -0.06 0.00 -2.22 0.72 -0.95 0.00 0.00 178.83 176.32 2k9a n HIS 99 N -3.69 0.00 0.69 2.96 8.25 -0.59 -4.29 115.22 118.55 2k9a n HIS 99 Ca 0.08 0.00 0.08 0.00 -0.26 0.00 0.00 57.72 57.61 2k9a n HIS 99 Cb 0.65 -0.87 0.38 0.00 1.12 0.00 0.00 29.99 31.27 2k9a n HIS 99 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56 2k9a n HIS 100 N -2.72 0.00 0.31 4.41 -0.00 -0.14 -2.53 115.22 114.55 2k9a n HIS 100 Ca -0.30 0.00 0.11 0.00 -0.00 0.00 0.00 57.72 57.53 2k9a n HIS 100 Cb 1.05 -0.34 0.50 0.00 -0.00 0.00 0.00 29.99 31.21 2k9a n HIS 100 CO 0.00 0.00 0.00 0.36 -0.00 0.00 0.00 176.34 176.70 2k9a n LYS 101 N -1.34 0.16 0.00 1.57 2.85 -0.22 -1.32 118.16 119.86 2k9a n LYS 101 Ca 0.06 0.49 0.15 0.00 -1.05 0.00 0.00 58.31 57.96 2k9a n LYS 101 Cb 0.14 -1.88 0.76 0.00 -0.65 0.00 0.00 35.03 33.40 2k9a n LYS 101 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 177.40 177.10 2k9a n ASP 102 N -2.20 0.02 0.00 -5.58 9.92 -1.05 -4.02 116.55 113.64 2k9a n ASP 102 Ca 0.01 -0.17 0.00 0.00 -0.53 0.00 0.00 54.79 54.10 2k9a n ASP 102 Cb 0.15 -0.27 0.00 0.00 -0.64 0.00 0.00 41.12 40.36 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 -1.27 0.00 -2.02 -1.24 2.13 -0.43 -5.07 120.64 112.74 2k9a n GLU 103 Ca 0.14 0.00 -0.30 0.00 0.66 0.00 0.00 57.16 57.66 2k9a n GLU 103 Cb 0.24 -0.75 0.02 0.00 0.27 0.00 0.00 31.44 31.22 2k9a n GLU 103 CO 0.00 0.00 0.00 0.54 -0.41 0.00 0.00 177.13 177.26 2k9a s VAL 104 N -1.99 4.48 -0.33 6.31 0.11 -0.62 -4.94 120.40 123.43 2k9a s VAL 104 Ca 0.00 0.66 -0.29 0.00 -2.93 0.00 0.00 61.98 59.42 2k9a s VAL 104 Cb 0.00 -3.78 -0.07 0.00 -1.53 0.00 0.00 36.38 31.00 2k9a s VAL 104 CO 0.00 -0.98 2.29 0.00 -3.33 0.00 0.00 175.10 173.08 2k9a n ALA 105 N -2.71 1.39 0.19 1.54 0.00 -1.26 -4.76 120.51 114.90 2k9a n ALA 105 Ca 0.05 -0.41 0.05 0.00 0.00 0.00 0.00 53.44 53.13 2k9a n ALA 105 Cb 0.55 -2.93 0.48 0.00 0.00 0.00 0.00 19.45 17.55 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 15.82 0.08 1.38 0.00 0.00 -1.92 -2.38 103.07 116.05 2k9a h GLY 106 Ca -0.33 -0.04 -0.03 0.00 0.00 0.00 0.00 47.33 46.93 2k9a h GLY 106 CO 1.03 0.04 0.25 1.29 0.00 0.00 0.00 176.54 179.15 2k9a h ASP 107 N 0.07 0.73 -0.01 0.19 2.03 -1.95 0.18 116.42 117.66 2k9a h ASP 107 Ca 0.01 -0.08 -0.01 0.00 -0.73 0.00 0.00 57.03 56.23 2k9a h ASP 107 Cb 0.31 -0.19 0.00 0.00 -0.83 0.00 0.00 39.33 38.63 2k9a h ASP 107 CO 0.02 0.64 -0.03 0.40 -1.03 0.00 0.00 179.24 179.24 2k9a h ILE 108 N 0.80 1.52 0.00 4.15 2.04 -1.83 -3.22 117.51 120.97 2k9a h ILE 108 Ca 0.19 -1.57 -0.04 0.00 1.00 0.00 0.00 64.86 64.44 2k9a h ILE 108 Cb 0.12 2.57 -0.01 0.00 -0.74 0.00 0.00 36.82 38.77 2k9a h ILE 108 CO -0.02 0.41 -0.21 0.15 0.00 0.00 0.00 178.15 178.48 2k9a h PHE 109 N -0.62 0.00 -1.04 1.37 3.57 -1.37 -2.71 116.94 116.14 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 0.69 0.00 -0.04 0.00 2.79 0.00 0.00 35.95 39.39 2k9a h PHE 109 CO 0.16 0.21 0.81 0.22 -2.23 0.00 0.00 178.31 177.47 2k9a h ASP 110 N 0.00 0.00 0.08 0.41 3.58 -0.65 0.44 116.42 120.29 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 0.40 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.45 2k9a h ASP 110 CO 0.03 0.00 -0.04 -0.03 -2.88 0.00 0.00 179.24 176.32 2k9a h MET 111 N 0.00 -0.11 0.00 0.28 4.05 -1.63 -3.14 114.93 114.38 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 2.10 0.02 -0.00 0.00 -0.80 0.00 0.00 31.60 32.92 2k9a h MET 111 CO -0.01 0.39 -0.09 -0.07 0.23 0.00 0.00 176.91 177.36 2k9a h LEU 112 N -0.68 0.00 -1.87 3.39 3.38 -0.76 -2.78 115.31 115.99 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 0.55 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.27 2k9a h LEU 112 CO 0.02 0.09 0.62 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 -0.25 0.70 115.31 123.28 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 0.38 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.41 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 -3.80 0.00 0.21 1.05 -2.24 -1.05 -2.48 114.28 105.96 2k9a n THR 114 Ca 0.13 0.00 0.04 0.00 -2.27 0.00 0.00 64.05 61.96 2k9a n THR 114 Cb 0.86 -0.76 0.46 0.00 -2.10 0.00 0.00 70.33 68.79 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 0.02 0.00 4.78 0.04 -1.13 -3.38 116.94 117.27 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 -0.01 0.00 0.00 2.20 0.00 0.00 35.95 38.14 2k9a h PHE 115 CO 0.00 0.24 0.00 -2.37 -0.60 0.00 0.00 178.31 175.58 2k9a n THR 116 N -4.26 0.00 -2.04 -1.55 5.66 -1.09 -5.01 114.28 106.00 2k9a n THR 116 Ca -0.02 0.00 -0.27 0.00 -3.05 0.00 0.00 64.05 60.71 2k9a n THR 116 Cb 0.29 0.00 -0.05 0.00 -1.55 0.00 0.00 70.33 69.02 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 -0.77 5.12 0.36 1.09 1.11 -1.03 -4.79 116.67 117.76 2k9a s ASP 117 Ca 0.00 -0.64 0.06 0.00 0.18 0.00 0.00 52.55 52.15 2k9a s ASP 117 Cb 0.00 -2.56 0.74 0.00 1.07 0.00 0.00 42.92 42.17 2k9a s ASP 117 CO 0.00 -2.76 1.97 0.15 1.18 0.00 0.00 175.17 175.71 2k9a h PHE 118 N 11.41 0.75 -0.95 4.23 3.57 -1.90 -1.36 116.94 132.69 2k9a h PHE 118 Ca 0.09 0.02 0.01 0.00 3.53 0.00 0.00 57.97 61.62 2k9a h PHE 118 Cb 1.01 -0.25 -0.05 0.00 2.79 0.00 0.00 35.95 39.45 2k9a h PHE 118 CO 1.21 0.41 0.63 -0.07 -2.23 0.00 0.00 178.31 178.26 2k9a h LEU 119 N 0.75 1.08 -0.37 0.59 -0.00 -1.99 -1.57 115.31 113.80 2k9a h LEU 119 Ca 0.30 -0.03 -0.12 0.00 -0.00 0.00 0.00 57.88 58.03 2k9a h LEU 119 Cb 0.21 -0.27 -0.02 0.00 -0.00 0.00 0.00 40.66 40.58 2k9a h LEU 119 CO -0.09 0.78 -0.59 0.00 -0.00 0.00 0.00 178.44 178.53 2k9a h ALA 120 N 1.41 0.73 0.34 1.53 0.00 -1.68 -2.69 119.26 118.89 2k9a h ALA 120 Ca 0.35 -0.54 -0.02 0.00 0.00 0.00 0.00 54.91 54.71 2k9a h ALA 120 Cb -0.13 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.57 2k9a h ALA 120 CO -0.08 0.74 -0.16 0.35 0.00 0.00 0.00 179.25 180.09 2k9a h PHE 121 N 0.00 -0.42 0.13 0.00 3.57 -0.35 -1.47 116.94 118.40 2k9a h PHE 121 Ca -0.01 -0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.48 2k9a h PHE 121 Cb 1.29 0.14 0.00 0.00 2.79 0.00 0.00 35.95 40.18 2k9a h PHE 121 CO 0.00 -0.15 -0.06 0.87 -2.23 0.00 0.00 178.31 176.74 2k9a h LYS 122 N -0.65 -0.17 -0.52 1.11 1.57 -1.47 -2.77 116.57 113.68 2k9a h LYS 122 Ca -0.05 0.01 0.15 0.00 -1.87 0.00 0.00 60.65 58.90 2k9a h LYS 122 Cb 0.46 0.04 -0.02 0.00 0.08 0.00 0.00 32.23 32.79 2k9a h LYS 122 CO 0.08 0.11 0.41 1.49 -0.57 0.00 0.00 179.45 180.97 2k9a h GLU 123 N -0.44 0.00 -0.06 3.15 4.81 -1.54 -0.98 114.58 119.52 2k9a h GLU 123 Ca -0.02 0.00 -0.04 0.00 -0.13 0.00 0.00 59.36 59.18 2k9a h GLU 123 Cb 0.36 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.74 2k9a h GLU 123 CO 0.03 0.00 -0.10 1.98 -0.73 0.00 0.00 179.01 180.19 2k9a h MET 124 N 0.00 0.18 -0.02 1.92 4.05 -1.00 -2.49 114.93 117.57 2k9a h MET 124 Ca 0.25 -0.11 -0.00 0.00 -0.28 0.00 0.00 59.70 59.55 2k9a h MET 124 Cb 1.06 0.01 -0.00 0.00 -0.80 0.00 0.00 31.60 31.87 2k9a h MET 124 CO -0.00 0.68 0.00 0.74 0.23 0.00 0.00 176.91 178.56 2k9a h PHE 125 N -0.31 0.04 -0.88 1.39 0.04 -1.00 -1.68 116.94 114.55 2k9a h PHE 125 Ca 0.00 -0.01 0.09 0.00 2.80 0.00 0.00 57.97 60.85 2k9a h PHE 125 Cb 0.67 -0.01 -0.07 0.00 2.20 0.00 0.00 35.95 38.74 2k9a h PHE 125 CO 0.11 0.31 0.53 -0.07 -0.60 0.00 0.00 178.31 178.59 2k9a h LEU 126 N -0.24 0.80 -0.34 1.54 4.07 -1.33 -0.86 115.31 118.94 2k9a h LEU 126 Ca 0.01 0.04 -0.04 0.00 0.08 0.00 0.00 57.88 57.96 2k9a h LEU 126 Cb 0.29 -0.13 -0.01 0.00 1.08 0.00 0.00 40.66 41.89 2k9a h LEU 126 CO 0.00 0.47 0.07 -0.78 -1.08 0.00 0.00 178.44 177.12 2k9a h ASP 127 N 0.92 0.54 -0.50 -0.43 3.58 -1.36 -2.59 116.42 116.57 2k9a h ASP 127 Ca 0.41 -0.25 0.04 0.00 0.42 0.00 0.00 57.03 57.65 2k9a h ASP 127 Cb 0.31 -0.14 -0.03 0.00 1.72 0.00 0.00 39.33 41.19 2k9a h ASP 127 CO -0.22 0.65 0.33 0.22 -2.88 0.00 0.00 179.24 177.34 2k9a h TYR 128 N 0.40 0.51 0.12 0.28 3.20 -0.46 -2.26 116.97 118.75 2k9a h TYR 128 Ca 0.11 0.01 -0.01 0.00 3.14 0.00 0.00 58.73 61.98 2k9a h TYR 128 Cb 0.33 -0.17 0.00 0.00 1.54 0.00 0.00 36.73 38.43 2k9a h TYR 128 CO 0.02 0.29 -0.06 -0.09 -1.64 0.00 0.00 178.16 176.69 2k9a h ARG 129 N 0.53 -0.15 -0.51 1.82 2.43 -0.82 -2.76 114.38 114.92 2k9a h ARG 129 Ca 0.21 0.01 0.11 0.00 -0.81 0.00 0.00 59.98 59.50 2k9a h ARG 129 Cb 0.17 0.03 -0.03 0.00 -0.42 0.00 0.00 29.97 29.72 2k9a h ARG 129 CO -0.05 0.04 0.35 0.00 -1.51 0.00 0.00 179.97 178.80 2k9a h ALA 130 N 0.55 2.18 -0.65 2.80 0.00 -1.10 -1.71 119.26 121.33 2k9a h ALA 130 Ca -0.02 -0.01 0.08 0.00 0.00 0.00 0.00 54.91 54.96 2k9a h ALA 130 Cb 0.26 -0.03 -0.07 0.00 0.00 0.00 0.00 17.79 17.95 2k9a h ALA 130 CO 0.03 -0.31 0.31 0.93 0.00 0.00 0.00 179.25 180.21 2k9a h GLU 131 N 0.23 0.53 0.00 0.00 4.39 -1.13 0.85 114.58 119.44 2k9a h GLU 131 Ca 0.24 -0.03 -0.01 0.00 0.34 0.00 0.00 59.36 59.90 2k9a h GLU 131 Cb 0.65 -0.12 -0.00 0.00 -0.10 0.00 0.00 28.75 29.18 2k9a h GLU 131 CO -0.05 0.35 -0.06 0.87 -1.16 0.00 0.00 179.01 178.96 2k9a h LYS 132 N 0.55 0.00 -0.39 2.33 6.56 -1.34 -1.65 116.57 122.63 2k9a h LYS 132 Ca 0.31 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.90 2k9a h LYS 132 Cb 0.32 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 31.98 2k9a h LYS 132 CO -0.25 0.06 0.00 0.39 -2.06 0.00 0.00 179.45 177.59 2k9a n GLU 133 N -3.16 2.13 0.00 3.15 -0.58 0.12 -3.92 120.64 118.38 2k9a n GLU 133 Ca 0.01 -1.74 0.00 0.00 -0.42 0.00 0.00 57.16 55.01 2k9a n GLU 133 Cb 0.40 -1.42 0.00 0.00 -0.57 0.00 0.00 31.44 29.84 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 1.31 0.00 0.08 0.62 0.00 -0.18 -4.75 105.19 102.27 2k9a n GLY 134 Ca 0.17 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.09 2k9a n GLY 134 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 2k9a h ARG 135 N 0.00 0.11 0.00 1.61 2.43 -1.47 -3.51 114.38 113.55 2k9a h ARG 135 Ca 0.00 -0.18 0.00 0.00 -0.81 0.00 0.00 59.98 58.99 2k9a h ARG 135 Cb 0.26 0.07 0.00 0.00 -0.42 0.00 0.00 29.97 29.88 2k9a h ARG 135 CO 0.00 1.09 0.00 0.41 -1.51 0.00 0.00 179.97 179.96