#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 0.21 0.00 3.17 9.92 -1.26 -5.01 116.55 123.58 2k9a n ASP 2 Ca 0.00 0.19 0.00 0.00 -0.53 0.00 0.00 54.79 54.45 2k9a n ASP 2 Cb 0.00 0.05 0.00 0.00 -0.64 0.00 0.00 41.12 40.53 2k9a n ASP 2 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2k9a n ALA 3 N -3.05 0.00 -2.70 2.24 0.00 -1.26 -4.94 120.51 110.80 2k9a n ALA 3 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 53.44 53.12 2k9a n ALA 3 Cb 0.00 -0.46 -0.14 0.00 0.00 0.00 0.00 19.45 18.85 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 2.58 -0.28 0.00 1.02 -1.26 -5.11 118.68 115.63 2k9a s LEU 4 Ca 0.00 -0.30 -0.17 0.00 0.02 0.00 0.00 54.13 53.67 2k9a s LEU 4 Cb 0.00 -1.53 0.09 0.00 0.02 0.00 0.00 46.19 44.77 2k9a s LEU 4 CO 0.00 0.27 0.74 -0.70 0.02 0.00 0.00 176.35 176.68 2k9a s GLU 5 N -0.30 0.68 0.00 1.70 2.56 -1.26 -5.06 118.70 117.01 2k9a s GLU 5 Ca 0.02 1.11 0.00 0.00 0.00 0.00 0.00 54.97 56.10 2k9a s GLU 5 Cb -0.13 0.17 0.00 0.00 2.00 0.00 0.00 34.13 36.17 2k9a s GLU 5 CO 0.03 -0.13 0.00 0.41 -0.56 0.00 0.00 175.26 175.00 2k9a n GLY 6 N 3.99 0.49 0.00 -1.50 0.00 -1.26 -5.04 105.19 101.87 2k9a n GLY 6 Ca -0.19 -0.57 0.07 0.00 0.00 0.00 0.00 46.02 45.34 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 -0.10 1.50 -1.68 1.61 1.02 -1.26 -5.00 120.64 116.74 2k9a n GLU 7 Ca 0.00 -0.05 -0.31 0.00 -0.02 0.00 0.00 57.16 56.79 2k9a n GLU 7 Cb 0.01 -1.27 0.05 0.00 -0.02 0.00 0.00 31.44 30.21 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 -2.87 5.43 -0.20 1.62 0.01 -1.26 -5.09 113.70 111.34 2k9a s SER 8 Ca 0.02 1.45 -0.27 0.00 1.31 0.00 0.00 55.95 58.46 2k9a s SER 8 Cb 0.11 -2.33 0.07 0.00 0.21 0.00 0.00 66.02 64.08 2k9a s SER 8 CO 0.63 -1.39 0.73 0.72 0.41 0.00 0.00 173.24 174.34 2k9a s PHE 9 N -3.14 -0.72 0.00 2.43 -0.71 -1.26 -5.05 117.98 109.53 2k9a s PHE 9 Ca 0.58 1.61 0.00 0.00 -1.04 0.00 0.00 56.93 58.08 2k9a s PHE 9 Cb -0.13 0.32 0.00 0.00 -1.21 0.00 0.00 43.02 42.00 2k9a s PHE 9 CO 0.54 -0.44 0.00 0.00 -1.34 0.00 0.00 175.22 173.98 2k9a n ALA 10 N 2.06 1.46 -2.60 1.99 0.00 -1.26 -5.13 120.51 117.03 2k9a n ALA 10 Ca -0.15 0.00 -0.04 0.00 0.00 0.00 0.00 53.44 53.24 2k9a n ALA 10 Cb 0.56 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.97 2k9a n ALA 10 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 2k9a n LEU 11 N -1.10 -6.55 -1.57 0.00 0.00 -1.26 -4.93 117.00 101.59 2k9a n LEU 11 Ca 0.00 2.06 -0.02 0.00 0.00 0.00 0.00 56.01 58.04 2k9a n LEU 11 Cb 0.00 -3.27 0.27 0.00 0.00 0.00 0.00 43.42 40.42 2k9a n LEU 11 CO 0.00 -3.78 0.90 -1.20 0.00 0.00 0.00 177.39 173.31 2k9a n SER 12 N 1.41 4.12 -0.08 1.96 7.64 -1.26 -4.90 113.62 122.52 2k9a n SER 12 Ca -0.31 -3.29 -0.01 0.00 1.01 0.00 0.00 58.87 56.27 2k9a n SER 12 Cb 0.48 -0.68 -0.00 0.00 -1.01 0.00 0.00 64.21 63.00 2k9a n SER 12 CO 0.00 0.00 0.00 0.33 -3.01 0.00 0.00 175.04 172.36 2k9a n PHE 13 N -0.46 0.00 -3.85 1.43 7.35 -1.26 -4.96 117.46 115.71 2k9a n PHE 13 Ca 0.35 0.00 -0.33 0.00 -0.76 0.00 0.00 57.45 56.71 2k9a n PHE 13 Cb 1.21 -1.77 -0.05 0.00 0.35 0.00 0.00 39.48 39.22 2k9a n PHE 13 CO 0.00 0.00 0.00 0.45 -0.76 0.00 0.00 176.76 176.45 2k9a s SER 14 N -2.05 6.41 -0.14 -2.13 0.15 -1.26 -5.02 113.70 109.66 2k9a s SER 14 Ca 0.00 0.41 -0.04 0.00 0.70 0.00 0.00 55.95 57.02 2k9a s SER 14 Cb 0.00 -2.03 -0.24 0.00 -1.71 0.00 0.00 66.02 62.04 2k9a s SER 14 CO 0.00 0.24 0.28 -1.54 1.20 0.00 0.00 173.24 173.42 2k9a n SER 15 N 0.88 2.01 0.00 5.45 3.41 -1.26 -4.02 113.62 120.10 2k9a n SER 15 Ca -0.10 0.16 0.08 0.00 -0.26 0.00 0.00 58.87 58.75 2k9a n SER 15 Cb 0.52 -0.72 0.44 0.00 -0.26 0.00 0.00 64.21 64.19 2k9a n SER 15 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2k9a n ALA 16 N -3.02 1.96 -1.00 7.33 0.00 -1.26 -0.98 120.51 123.54 2k9a n ALA 16 Ca -0.34 -0.08 0.00 0.00 0.00 0.00 0.00 53.44 53.02 2k9a n ALA 16 Cb 1.04 -1.27 0.00 0.00 0.00 0.00 0.00 19.45 19.22 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 -1.23 0.00 0.00 0.00 2.88 -1.26 -4.91 113.62 109.11 2k9a n SER 17 Ca 0.09 0.41 0.00 0.00 -1.33 0.00 0.00 58.87 58.04 2k9a n SER 17 Cb 0.12 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.58 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 -0.60 0.00 0.08 -3.46 -0.08 -1.26 -4.96 116.55 106.27 2k9a n ASP 18 Ca 0.00 0.00 -0.13 0.00 -1.51 0.00 0.00 54.79 53.15 2k9a n ASP 18 Cb 0.00 0.11 -0.09 0.00 2.34 0.00 0.00 41.12 43.49 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 0.00 -0.21 -0.04 -1.67 0.00 -1.92 -1.65 119.26 113.78 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 0.08 -0.00 0.00 0.00 0.00 0.00 17.79 17.87 2k9a h ALA 19 CO 0.00 -0.43 0.02 1.49 0.00 0.00 0.00 179.25 180.33 2k9a h GLU 20 N -0.59 0.05 -0.05 0.00 4.57 -1.82 -1.97 114.58 114.78 2k9a h GLU 20 Ca -0.02 -0.01 0.03 0.00 -1.18 0.00 0.00 59.36 58.18 2k9a h GLU 20 Cb 0.45 -0.01 -0.04 0.00 -0.16 0.00 0.00 28.75 28.99 2k9a h GLU 20 CO 0.03 0.19 -0.17 0.35 -1.18 0.00 0.00 179.01 178.23 2k9a h PHE 21 N -0.09 -0.45 -0.61 0.92 3.57 -1.14 -1.70 116.94 117.45 2k9a h PHE 21 Ca 0.01 0.02 0.09 0.00 3.53 0.00 0.00 57.97 61.63 2k9a h PHE 21 Cb 0.15 0.21 -0.04 0.00 2.79 0.00 0.00 35.95 39.06 2k9a h PHE 21 CO -0.02 -0.25 0.41 0.22 -2.23 0.00 0.00 178.31 176.44 2k9a h ASP 22 N -0.26 0.40 -0.18 0.41 1.82 -1.24 -1.79 116.42 115.57 2k9a h ASP 22 Ca 0.07 0.01 -0.01 0.00 -0.39 0.00 0.00 57.03 56.71 2k9a h ASP 22 Cb 0.35 -0.08 -0.01 0.00 0.68 0.00 0.00 39.33 40.28 2k9a h ASP 22 CO -0.20 0.24 0.08 0.00 -1.61 0.00 0.00 179.24 177.76 2k9a h ALA 23 N 1.69 0.24 -0.52 -0.78 0.00 -0.52 -2.41 119.26 116.95 2k9a h ALA 23 Ca 0.28 -0.09 -0.00 0.00 0.00 0.00 0.00 54.91 55.09 2k9a h ALA 23 Cb 0.51 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.21 2k9a h ALA 23 CO -0.08 -0.19 0.31 0.28 0.00 0.00 0.00 179.25 179.57 2k9a h VAL 24 N 0.16 1.16 -0.93 0.00 2.07 -0.88 -2.42 116.25 115.41 2k9a h VAL 24 Ca 0.06 -0.38 0.08 0.00 0.82 0.00 0.00 66.70 67.28 2k9a h VAL 24 Cb 0.14 0.47 -0.07 0.00 -1.52 0.00 0.00 31.29 30.31 2k9a h VAL 24 CO -0.01 0.17 0.60 0.58 0.02 0.00 0.00 177.57 178.93 2k9a h VAL 25 N 0.70 1.02 -0.20 2.57 2.07 -1.29 -1.39 116.25 119.73 2k9a h VAL 25 Ca 0.19 -0.34 -0.01 0.00 0.82 0.00 0.00 66.70 67.35 2k9a h VAL 25 Cb 0.01 -0.07 -0.01 0.00 -1.52 0.00 0.00 31.29 29.70 2k9a h VAL 25 CO -0.03 0.18 0.08 1.23 0.02 0.00 0.00 177.57 179.05 2k9a h GLY 26 N 1.00 0.33 1.45 2.17 0.00 -0.96 -2.53 103.07 104.53 2k9a h GLY 26 Ca 0.42 -0.18 -0.01 0.00 0.00 0.00 0.00 47.33 47.55 2k9a h GLY 26 CO -0.17 0.17 0.29 -0.97 0.00 0.00 0.00 176.54 175.86 2k9a h TYR 27 N 0.17 0.71 -0.19 5.60 0.05 -1.08 -2.50 116.97 119.74 2k9a h TYR 27 Ca 0.07 -0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.84 2k9a h TYR 27 Cb 0.19 -0.23 -0.01 0.00 1.01 0.00 0.00 36.73 37.69 2k9a h TYR 27 CO -0.01 0.49 0.12 -0.07 -1.05 0.00 0.00 178.16 177.65 2k9a h LEU 28 N 0.74 0.21 -1.28 3.88 3.38 -0.99 -2.07 115.31 119.18 2k9a h LEU 28 Ca 0.19 -0.01 0.02 0.00 0.09 0.00 0.00 57.88 58.17 2k9a h LEU 28 Cb 0.02 -0.05 -0.04 0.00 0.09 0.00 0.00 40.66 40.67 2k9a h LEU 28 CO -0.03 0.16 0.49 -0.33 0.09 0.00 0.00 178.44 178.82 2k9a h GLU 29 N 0.25 0.95 -0.53 1.13 5.08 -1.04 -1.21 114.58 119.20 2k9a h GLU 29 Ca 0.07 -0.06 -0.06 0.00 -1.00 0.00 0.00 59.36 58.31 2k9a h GLU 29 Cb -0.03 -0.21 -0.02 0.00 0.50 0.00 0.00 28.75 28.99 2k9a h GLU 29 CO -0.01 0.63 0.07 0.22 -1.00 0.00 0.00 179.01 178.92 2k9a h ASP 30 N 0.98 0.81 -0.03 1.42 3.58 -1.06 -1.87 116.42 120.25 2k9a h ASP 30 Ca 0.28 -0.17 -0.20 0.00 0.42 0.00 0.00 57.03 57.35 2k9a h ASP 30 Cb -0.07 -0.21 0.00 0.00 1.72 0.00 0.00 39.33 40.77 2k9a h ASP 30 CO -0.07 0.83 -0.73 0.40 -2.88 0.00 0.00 179.24 176.79 2k9a h ILE 31 N 0.81 1.31 -0.22 2.25 2.04 -0.69 -2.32 117.51 120.69 2k9a h ILE 31 Ca 0.17 -1.99 -0.07 0.00 1.00 0.00 0.00 64.86 63.97 2k9a h ILE 31 Cb 0.38 1.97 -0.01 0.00 -0.74 0.00 0.00 36.82 38.42 2k9a h ILE 31 CO 0.01 0.62 -0.17 0.40 0.00 0.00 0.00 178.15 179.01 2k9a h ILE 32 N 0.47 1.23 -0.03 -0.67 2.04 -1.04 -2.15 117.51 117.36 2k9a h ILE 32 Ca -0.04 -1.03 0.00 0.00 1.00 0.00 0.00 64.86 64.79 2k9a h ILE 32 Cb 1.33 1.25 0.00 0.00 -0.74 0.00 0.00 36.82 38.67 2k9a h ILE 32 CO 0.14 0.33 0.00 0.23 0.00 0.00 0.00 178.15 178.85 2k9a n MET 33 N -4.19 1.71 -2.11 2.37 2.81 -0.72 -4.55 117.12 112.43 2k9a n MET 33 Ca -0.00 -1.03 -0.40 0.00 -1.81 0.00 0.00 57.70 54.46 2k9a n MET 33 Cb 0.33 -1.47 -0.01 0.00 -0.71 0.00 0.00 33.22 31.36 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 -1.96 6.52 0.33 7.83 2.15 -0.81 -4.89 116.67 125.83 2k9a s ASP 34 Ca 0.37 2.63 0.03 0.00 0.43 0.00 0.00 52.55 56.00 2k9a s ASP 34 Cb 0.21 -2.64 0.61 0.00 -0.30 0.00 0.00 42.92 40.80 2k9a s ASP 34 CO 0.33 -0.70 1.94 -2.24 -0.17 0.00 0.00 175.17 174.32 2k9a h ASP 35 N 2.96 0.81 0.02 -0.34 2.03 -1.91 -1.04 116.42 118.95 2k9a h ASP 35 Ca -0.49 0.00 -0.06 0.00 -0.73 0.00 0.00 57.03 55.75 2k9a h ASP 35 Cb 1.24 -0.17 -0.01 0.00 -0.83 0.00 0.00 39.33 39.55 2k9a h ASP 35 CO 0.64 0.52 -0.18 -0.33 -1.03 0.00 0.00 179.24 178.86 2k9a h GLU 36 N 0.92 0.30 -0.07 4.15 4.39 -1.92 -2.41 114.58 119.95 2k9a h GLU 36 Ca 0.35 -0.08 -0.23 0.00 0.34 0.00 0.00 59.36 59.74 2k9a h GLU 36 Cb 0.20 -0.03 0.01 0.00 -0.10 0.00 0.00 28.75 28.83 2k9a h GLU 36 CO -0.12 0.47 -0.85 0.35 -1.16 0.00 0.00 179.01 177.70 2k9a h PHE 37 N 0.28 0.99 -0.47 4.33 3.57 -1.46 -1.99 116.94 122.19 2k9a h PHE 37 Ca 0.05 -0.49 0.00 0.00 3.53 0.00 0.00 57.97 61.06 2k9a h PHE 37 Cb 0.48 -0.13 -0.02 0.00 2.79 0.00 0.00 35.95 39.06 2k9a h PHE 37 CO 0.01 1.32 0.30 1.96 -2.23 0.00 0.00 178.31 179.66 2k9a h GLN 38 N 0.38 0.62 -0.05 1.11 1.08 -1.14 0.17 115.11 117.29 2k9a h GLN 38 Ca -0.09 -0.05 -0.02 0.00 -1.45 0.00 0.00 58.65 57.05 2k9a h GLN 38 Cb 1.50 -0.14 -0.00 0.00 -0.05 0.00 0.00 27.48 28.79 2k9a h GLN 38 CO 0.17 0.44 -0.03 1.25 -0.95 0.00 0.00 178.83 179.70 2k9a h LEU 39 N 0.63 0.11 -2.08 1.46 6.46 -1.50 -2.70 115.31 117.69 2k9a h LEU 39 Ca 0.17 -0.45 -0.02 0.00 -0.12 0.00 0.00 57.88 57.46 2k9a h LEU 39 Cb -0.04 -0.03 -0.00 0.00 -0.73 0.00 0.00 40.66 39.86 2k9a h LEU 39 CO -0.03 0.53 -0.08 0.25 -0.62 0.00 0.00 178.44 178.48 2k9a h LEU 40 N -0.31 0.00 -0.01 2.25 6.46 -1.26 -1.78 115.31 120.66 2k9a h LEU 40 Ca 0.01 0.00 -0.01 0.00 -0.12 0.00 0.00 57.88 57.76 2k9a h LEU 40 Cb 0.50 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.43 2k9a h LEU 40 CO 0.01 0.08 -0.02 -0.61 -0.62 0.00 0.00 178.44 177.28 2k9a h GLN 41 N 0.00 0.03 -0.29 1.25 4.15 -0.53 -1.52 115.11 118.20 2k9a h GLN 41 Ca -0.00 -0.02 -0.08 0.00 0.77 0.00 0.00 58.65 59.32 2k9a h GLN 41 Cb 0.23 0.00 -0.02 0.00 0.21 0.00 0.00 27.48 27.91 2k9a h GLN 41 CO 0.01 0.61 -0.16 0.00 -1.93 0.00 0.00 178.83 177.36 2k9a h ARG 42 N -0.54 0.52 -0.29 1.69 2.47 -1.22 -0.96 114.38 116.05 2k9a h ARG 42 Ca -0.00 -0.16 -0.18 0.00 -1.26 0.00 0.00 59.98 58.37 2k9a h ARG 42 Cb 0.61 -0.05 -0.00 0.00 -1.65 0.00 0.00 29.97 28.88 2k9a h ARG 42 CO 0.01 0.66 -0.54 -0.91 0.56 0.00 0.00 179.97 179.75 2k9a h ASN 43 N 0.47 0.96 -0.04 7.04 -0.26 -1.36 -1.81 115.58 120.57 2k9a h ASN 43 Ca 0.08 -0.51 -0.03 0.00 -0.56 0.00 0.00 56.30 55.29 2k9a h ASN 43 Cb 0.55 -0.27 0.00 0.00 -1.06 0.00 0.00 38.32 37.54 2k9a h ASN 43 CO 0.04 1.30 -0.09 0.15 -1.06 0.00 0.00 177.43 177.77 2k9a h PHE 44 N 0.66 0.16 0.00 1.19 3.57 -1.11 -3.15 116.94 118.27 2k9a h PHE 44 Ca 0.02 -0.06 -0.03 0.00 3.53 0.00 0.00 57.97 61.43 2k9a h PHE 44 Cb 1.14 -0.03 -0.00 0.00 2.79 0.00 0.00 35.95 39.85 2k9a h PHE 44 CO 0.07 0.68 -0.15 0.52 -2.23 0.00 0.00 178.31 177.20 2k9a h MET 45 N -0.40 0.00 -0.24 1.11 2.86 -1.25 -2.42 114.93 114.60 2k9a h MET 45 Ca 0.00 0.00 0.04 0.00 -2.06 0.00 0.00 59.70 57.68 2k9a h MET 45 Cb 0.67 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.32 2k9a h MET 45 CO 0.02 0.15 0.16 0.22 1.06 0.00 0.00 176.91 178.52 2k9a h ASP 46 N 0.00 0.14 0.01 1.22 3.58 -1.28 -0.62 116.42 119.47 2k9a h ASP 46 Ca -0.00 -0.00 -0.35 0.00 0.42 0.00 0.00 57.03 57.10 2k9a h ASP 46 Cb 0.35 -0.03 -0.05 0.00 1.72 0.00 0.00 39.33 41.32 2k9a h ASP 46 CO 0.02 0.09 -1.92 0.29 -2.88 0.00 0.00 179.24 174.84 2k9a n LYS 47 N -4.49 0.60 -0.14 0.28 4.76 -0.95 -4.24 118.16 113.97 2k9a n LYS 47 Ca 0.02 0.40 -0.07 0.00 -2.87 0.00 0.00 58.31 55.79 2k9a n LYS 47 Cb 0.20 -1.63 0.02 0.00 -1.84 0.00 0.00 35.03 31.78 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 -0.83 0.50 0.00 2.13 -1.99 -1.44 -1.36 116.97 113.98 2k9a h TYR 48 Ca -0.51 0.02 0.00 0.00 2.00 0.00 0.00 58.73 60.23 2k9a h TYR 48 Cb 1.54 -0.16 0.00 0.00 2.00 0.00 0.00 36.73 40.10 2k9a h TYR 48 CO 0.02 0.29 0.01 0.10 -0.00 0.00 0.00 178.16 178.58 2k9a h TYR 49 N 0.54 0.00 0.00 4.88 -0.00 -1.33 -0.04 116.97 121.01 2k9a h TYR 49 Ca 0.18 0.00 -0.02 0.00 -0.00 0.00 0.00 58.73 58.89 2k9a h TYR 49 Cb 0.01 0.00 -0.00 0.00 -0.00 0.00 0.00 36.73 36.73 2k9a h TYR 49 CO -0.07 0.00 -0.10 -0.07 -0.00 0.00 0.00 178.16 177.92 2k9a h LEU 50 N 0.00 0.00 -0.99 0.10 3.38 -1.43 -3.35 115.31 113.02 2k9a h LEU 50 Ca 0.00 -0.88 -0.09 0.00 0.09 0.00 0.00 57.88 57.00 2k9a h LEU 50 Cb 0.02 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.75 2k9a h LEU 50 CO 0.00 1.00 -0.24 -0.33 0.09 0.00 0.00 178.44 178.96 2k9a h GLU 51 N -1.00 0.45 -5.97 1.13 4.39 -1.11 -3.37 114.58 109.09 2k9a h GLU 51 Ca -0.03 -0.16 -0.58 0.00 0.34 0.00 0.00 59.36 58.93 2k9a h GLU 51 Cb 0.94 -0.03 -0.09 0.00 -0.10 0.00 0.00 28.75 29.47 2k9a h GLU 51 CO -0.02 0.66 1.60 -0.06 -1.16 0.00 0.00 179.01 180.04 2k9a s PHE 52 N -4.51 2.50 0.19 4.33 0.08 -0.08 -4.96 117.98 115.53 2k9a s PHE 52 Ca -0.07 -0.86 0.04 0.00 0.12 0.00 0.00 56.93 56.17 2k9a s PHE 52 Cb 0.14 -4.62 -0.03 0.00 -0.57 0.00 0.00 43.02 37.93 2k9a s PHE 52 CO 0.78 -1.85 0.27 -1.83 -0.10 0.00 0.00 175.22 172.49 2k9a s GLU 53 N 5.04 3.27 -0.57 0.44 -1.05 -1.26 -4.82 118.70 119.75 2k9a s GLU 53 Ca 0.52 -0.75 -0.27 0.00 -0.15 0.00 0.00 54.97 54.31 2k9a s GLU 53 Cb 0.00 -2.83 -0.02 0.00 -0.44 0.00 0.00 34.13 30.84 2k9a s GLU 53 CO -0.03 0.47 1.87 0.34 0.95 0.00 0.00 175.26 178.86 2k9a s ASP 54 N -3.50 5.32 0.23 0.83 -1.08 -1.26 -4.93 116.67 112.28 2k9a s ASP 54 Ca 0.33 0.48 0.01 0.00 -0.52 0.00 0.00 52.55 52.85 2k9a s ASP 54 Cb -0.10 -2.53 -0.04 0.00 -1.46 0.00 0.00 42.92 38.80 2k9a s ASP 54 CO 0.27 -2.31 0.16 0.42 0.52 0.00 0.00 175.17 174.24 2k9a s THR 55 N 8.91 0.00 -0.20 1.71 -4.23 -1.26 -5.06 115.64 115.51 2k9a s THR 55 Ca 0.70 -2.00 0.06 0.00 -1.18 0.00 0.00 61.69 59.27 2k9a s THR 55 Cb -0.14 -2.50 -0.07 0.00 1.34 0.00 0.00 72.50 71.13 2k9a s THR 55 CO 0.22 0.00 0.21 -0.62 -0.54 0.00 0.00 174.62 173.89 2k9a n GLU 56 N -0.35 3.88 -4.07 3.99 1.02 -1.26 -5.01 120.64 118.84 2k9a n GLU 56 Ca 0.03 -0.01 -0.33 0.00 -0.02 0.00 0.00 57.16 56.83 2k9a n GLU 56 Cb 0.65 -0.86 -0.07 0.00 -0.02 0.00 0.00 31.44 31.14 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 -1.75 3.13 0.29 3.49 2.12 -1.26 -5.11 118.70 119.60 2k9a s GLU 57 Ca 0.01 -0.45 -0.12 0.00 0.36 0.00 0.00 54.97 54.77 2k9a s GLU 57 Cb 0.04 -2.90 -0.08 0.00 0.26 0.00 0.00 34.13 31.45 2k9a s GLU 57 CO 0.23 0.66 0.65 0.54 -0.54 0.00 0.00 175.26 176.80 2k9a s ASN 58 N -1.73 6.68 0.27 -1.70 4.22 -1.26 -5.10 114.94 116.33 2k9a s ASN 58 Ca 0.23 1.09 0.07 0.00 -2.14 0.00 0.00 52.86 52.12 2k9a s ASN 58 Cb -0.12 -2.30 -0.06 0.00 1.28 0.00 0.00 41.25 40.06 2k9a s ASN 58 CO 0.14 -0.16 -0.08 -0.54 -2.04 0.00 0.00 177.10 174.41 2k9a s LYS 59 N -3.00 1.55 0.33 3.55 1.02 -1.26 -5.04 119.74 116.90 2k9a s LYS 59 Ca 0.51 -1.77 0.25 0.00 0.02 0.00 0.00 55.97 54.97 2k9a s LYS 59 Cb -0.11 -1.25 0.58 0.00 -0.52 0.00 0.00 37.83 36.54 2k9a s LYS 59 CO 0.20 0.09 1.70 -0.07 -0.92 0.00 0.00 175.35 176.35 2k9a h LEU 60 N 2.29 0.00 -1.37 3.17 3.38 -2.04 -3.19 115.31 117.56 2k9a h LEU 60 Ca -0.40 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.57 2k9a h LEU 60 Cb 1.24 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.99 2k9a h LEU 60 CO 0.66 0.00 0.00 -0.29 0.09 0.00 0.00 178.44 178.90 2k9a h ILE 61 N 0.00 0.00 0.00 1.22 6.09 -2.02 -1.84 117.51 120.95 2k9a h ILE 61 Ca 0.00 -0.18 0.00 0.00 -1.37 0.00 0.00 64.86 63.31 2k9a h ILE 61 Cb 0.87 0.93 0.00 0.00 0.47 0.00 0.00 36.82 39.08 2k9a h ILE 61 CO 0.00 0.00 0.00 1.88 -3.07 0.00 0.00 178.15 176.96 2k9a h TYR 62 N 0.00 0.00 0.13 2.19 0.05 -1.98 -2.82 116.97 114.53 2k9a h TYR 62 Ca 0.00 0.00 -0.01 0.00 0.05 0.00 0.00 58.73 58.77 2k9a h TYR 62 Cb 0.24 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.98 2k9a h TYR 62 CO 0.00 0.00 -0.06 1.15 -1.05 0.00 0.00 178.16 178.20 2k9a h THR 63 N 0.00 1.05 -0.38 -2.88 2.02 -1.57 -1.67 112.91 109.48 2k9a h THR 63 Ca 0.00 -1.02 -0.13 0.00 0.77 0.00 0.00 66.41 66.02 2k9a h THR 63 Cb 0.68 1.66 -0.01 0.00 -1.74 0.00 0.00 68.15 68.74 2k9a h THR 63 CO 0.00 0.23 -0.29 1.55 0.37 0.00 0.00 175.52 177.38 2k9a h PRO 64 N -0.68 0.82 -0.77 6.66 0.13 -1.72 -2.68 132.00 133.76 2k9a h PRO 64 Ca -0.02 -0.37 -0.05 0.00 -0.87 0.00 0.00 66.00 64.69 2k9a h PRO 64 Cb 0.51 -0.02 -0.03 0.00 0.13 0.00 0.00 31.00 31.59 2k9a h PRO 64 CO 0.03 1.00 0.28 0.82 -0.23 0.00 0.00 178.00 179.90 2k9a h ILE 65 N 0.70 1.26 -0.18 -3.56 2.04 -1.58 -2.12 117.51 114.06 2k9a h ILE 65 Ca 0.08 -0.87 -0.02 0.00 1.00 0.00 0.00 64.86 65.05 2k9a h ILE 65 Cb 0.83 0.37 -0.01 0.00 -0.74 0.00 0.00 36.82 37.28 2k9a h ILE 65 CO 0.07 0.35 0.04 0.15 0.00 0.00 0.00 178.15 178.76 2k9a h PHE 66 N 1.14 0.31 -0.18 1.37 3.57 -1.22 -2.36 116.94 119.58 2k9a h PHE 66 Ca 0.25 -0.04 -0.00 0.00 3.53 0.00 0.00 57.97 61.71 2k9a h PHE 66 Cb 0.26 -0.09 -0.01 0.00 2.79 0.00 0.00 35.95 38.90 2k9a h PHE 66 CO 0.02 0.43 0.10 -0.91 -2.23 0.00 0.00 178.31 175.73 2k9a h ASN 67 N 0.11 0.21 -0.15 0.41 2.35 -1.35 -1.40 115.58 115.76 2k9a h ASN 67 Ca 0.06 -0.01 -0.13 0.00 -0.55 0.00 0.00 56.30 55.67 2k9a h ASN 67 Cb 0.28 -0.05 -0.01 0.00 0.05 0.00 0.00 38.32 38.58 2k9a h ASN 67 CO 0.00 0.16 -0.36 -0.08 -1.65 0.00 0.00 177.43 175.50 2k9a h GLU 68 N 0.24 0.66 -0.53 0.81 4.81 -1.08 -1.52 114.58 117.98 2k9a h GLU 68 Ca 0.06 -0.32 -0.08 0.00 -0.13 0.00 0.00 59.36 58.89 2k9a h GLU 68 Cb -0.01 -0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.35 2k9a h GLU 68 CO -0.01 0.92 0.01 -0.92 -0.73 0.00 0.00 179.01 178.28 2k9a h TYR 69 N 0.56 1.01 0.00 0.92 3.20 -0.75 0.76 116.97 122.67 2k9a h TYR 69 Ca 0.06 -0.17 -0.13 0.00 3.14 0.00 0.00 58.73 61.63 2k9a h TYR 69 Cb 0.87 -0.27 -0.02 0.00 1.54 0.00 0.00 36.73 38.86 2k9a h TYR 69 CO 0.04 0.93 -0.60 0.82 -1.64 0.00 0.00 178.16 177.71 2k9a h ILE 70 N 0.81 1.33 0.07 1.81 1.08 -1.34 -0.16 117.51 121.11 2k9a h ILE 70 Ca 0.15 -2.12 -0.27 0.00 -0.39 0.00 0.00 64.86 62.23 2k9a h ILE 70 Cb 0.51 2.17 -0.02 0.00 -3.07 0.00 0.00 36.82 36.42 2k9a h ILE 70 CO 0.02 0.59 -1.36 0.77 -0.69 0.00 0.00 178.15 177.48 2k9a h SER 71 N 0.00 0.24 0.00 1.72 4.64 -1.10 -2.80 113.55 116.25 2k9a h SER 71 Ca -0.01 -0.31 0.00 0.00 -0.47 0.00 0.00 61.79 61.01 2k9a h SER 71 Cb 1.12 -0.08 0.00 0.00 -0.31 0.00 0.00 62.40 63.14 2k9a h SER 71 CO 0.08 1.25 -0.37 0.25 -0.87 0.00 0.00 176.83 177.17 2k9a h LEU 72 N 0.04 0.00 0.36 5.97 7.12 -0.85 -3.37 115.31 124.59 2k9a h LEU 72 Ca -0.17 0.00 -0.02 0.00 0.13 0.00 0.00 57.88 57.82 2k9a h LEU 72 Cb 1.94 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 42.08 2k9a h LEU 72 CO 0.15 0.56 -0.17 0.58 -0.13 0.00 0.00 178.44 179.43 2k9a h VAL 73 N -0.75 0.00 -0.71 1.05 2.07 -1.22 -1.98 116.25 114.70 2k9a h VAL 73 Ca 0.00 -0.64 0.13 0.00 0.82 0.00 0.00 66.70 67.01 2k9a h VAL 73 Cb 0.37 0.00 -0.09 0.00 -1.52 0.00 0.00 31.29 30.05 2k9a h VAL 73 CO 0.00 0.00 0.26 -0.08 0.02 0.00 0.00 177.57 177.77 2k9a h GLU 74 N -1.13 0.40 -0.06 1.57 4.22 -1.52 0.66 114.58 118.72 2k9a h GLU 74 Ca -0.05 -0.02 -0.10 0.00 0.08 0.00 0.00 59.36 59.26 2k9a h GLU 74 Cb 0.37 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.52 2k9a h GLU 74 CO 0.08 0.26 -0.44 0.87 -2.18 0.00 0.00 179.01 177.61 2k9a h LYS 75 N 0.41 0.14 0.00 1.92 1.79 -1.61 -2.77 116.57 116.45 2k9a h LYS 75 Ca 0.39 -0.07 0.01 0.00 -2.18 0.00 0.00 60.65 58.80 2k9a h LYS 75 Cb 0.57 -0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.21 2k9a h LYS 75 CO -0.39 0.56 -0.05 -0.92 -1.08 0.00 0.00 179.45 177.57 2k9a h TYR 76 N 0.12 -0.12 -0.03 -1.35 3.20 -0.08 -0.07 116.97 118.64 2k9a h TYR 76 Ca 0.01 0.00 -0.00 0.00 3.14 0.00 0.00 58.73 61.88 2k9a h TYR 76 Cb 0.82 0.05 -0.00 0.00 1.54 0.00 0.00 36.73 39.15 2k9a h TYR 76 CO 0.01 -0.08 0.01 0.82 -1.64 0.00 0.00 178.16 177.28 2k9a h ILE 77 N -0.09 1.15 -0.03 1.81 2.04 -1.39 -2.23 117.51 118.78 2k9a h ILE 77 Ca 0.02 -0.44 0.01 0.00 1.00 0.00 0.00 64.86 65.46 2k9a h ILE 77 Cb 0.11 1.39 -0.02 0.00 -0.74 0.00 0.00 36.82 37.56 2k9a h ILE 77 CO -0.05 0.12 -0.06 -0.08 0.00 0.00 0.00 178.15 178.08 2k9a h GLU 78 N -0.13 -0.08 -0.06 2.37 4.81 -1.40 -2.07 114.58 118.02 2k9a h GLU 78 Ca 0.01 0.01 0.01 0.00 -0.13 0.00 0.00 59.36 59.26 2k9a h GLU 78 Cb 0.18 0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.57 2k9a h GLU 78 CO -0.00 -0.05 -0.02 0.93 -0.73 0.00 0.00 179.01 179.14 2k9a h GLU 79 N -0.08 -0.00 -0.71 1.92 5.08 -1.02 -1.25 114.58 118.52 2k9a h GLU 79 Ca 0.03 0.00 0.06 0.00 -1.00 0.00 0.00 59.36 58.45 2k9a h GLU 79 Cb 0.13 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.34 2k9a h GLU 79 CO -0.08 -0.00 0.47 1.96 -1.00 0.00 0.00 179.01 180.36 2k9a h GLN 80 N -0.00 0.74 -0.16 2.33 1.08 -1.29 -1.46 115.11 116.34 2k9a h GLN 80 Ca 0.03 -0.04 -0.20 0.00 -1.45 0.00 0.00 58.65 56.99 2k9a h GLN 80 Cb 0.05 -0.17 0.00 0.00 -0.05 0.00 0.00 27.48 27.31 2k9a h GLN 80 CO -0.06 0.49 -0.69 -0.07 -0.95 0.00 0.00 178.83 177.54 2k9a h LEU 81 N 0.76 0.79 -1.47 1.46 3.38 -0.99 -3.09 115.31 116.14 2k9a h LEU 81 Ca 0.30 -0.49 -0.04 0.00 0.09 0.00 0.00 57.88 57.75 2k9a h LEU 81 Cb 0.23 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 2k9a h LEU 81 CO -0.10 1.26 -0.18 -0.07 0.09 0.00 0.00 178.44 179.44 2k9a h LEU 82 N 0.48 0.00 -2.79 1.67 3.38 -0.40 -0.72 115.31 116.92 2k9a h LEU 82 Ca -0.03 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.94 2k9a h LEU 82 Cb 1.29 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.04 2k9a h LEU 82 CO 0.14 0.18 -0.00 1.56 0.09 0.00 0.00 178.44 180.40 2k9a h GLN 83 N 0.00 0.00 0.00 1.13 1.08 -1.21 -2.85 115.11 113.26 2k9a h GLN 83 Ca -0.00 0.00 -0.01 0.00 -1.45 0.00 0.00 58.65 57.19 2k9a h GLN 83 Cb 0.57 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 28.00 2k9a h GLN 83 CO 0.02 0.00 -1.07 -2.13 -0.95 0.00 0.00 178.83 174.71 2k9a n ARG 84 N -3.25 1.22 -3.68 1.46 0.63 -1.01 -4.91 116.66 107.13 2k9a n ARG 84 Ca -0.03 -0.01 -0.29 0.00 -0.92 0.00 0.00 57.85 56.60 2k9a n ARG 84 Cb 0.09 -1.03 -0.13 0.00 0.45 0.00 0.00 32.46 31.84 2k9a n ARG 84 CO 0.00 0.00 0.00 0.42 -2.51 0.00 0.00 177.63 175.54 2k9a s ILE 85 N -2.08 1.26 -1.90 5.15 1.01 -0.31 -4.96 121.20 119.38 2k9a s ILE 85 Ca -0.01 -2.52 0.17 0.00 0.00 0.00 0.00 60.65 58.30 2k9a s ILE 85 Cb 0.01 -1.88 0.45 0.00 0.01 0.00 0.00 42.46 41.04 2k9a s ILE 85 CO 0.06 -0.92 1.43 -0.81 0.00 0.00 0.00 174.94 174.69 2k9a n PRO 86 N 3.52 0.48 -0.21 2.79 -0.04 -1.19 -1.96 135.00 138.40 2k9a n PRO 86 Ca 0.10 0.02 0.06 0.00 -0.04 0.00 0.00 63.50 63.65 2k9a n PRO 86 Cb 0.35 -1.50 0.15 0.00 -0.04 0.00 0.00 33.50 32.47 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 -1.05 2.72 -2.86 0.54 1.02 -1.26 -5.02 120.64 114.72 2k9a n GLU 87 Ca 0.12 -2.25 -0.35 0.00 -0.02 0.00 0.00 57.16 54.66 2k9a n GLU 87 Cb 0.07 -1.42 -0.07 0.00 -0.02 0.00 0.00 31.44 30.01 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 -1.77 3.53 -0.32 -0.32 5.36 -0.83 -5.05 117.98 118.58 2k9a s PHE 88 Ca 0.26 1.63 0.02 0.00 -0.96 0.00 0.00 56.93 57.87 2k9a s PHE 88 Cb 0.18 -2.83 0.10 0.00 -0.34 0.00 0.00 43.02 40.13 2k9a s PHE 88 CO 0.09 0.10 0.07 -0.80 -1.46 0.00 0.00 175.22 173.23 2k9a s ASN 89 N -1.87 4.42 0.50 6.13 -0.87 -1.26 -4.97 114.94 117.02 2k9a s ASN 89 Ca 0.54 -1.91 0.23 0.00 -1.57 0.00 0.00 52.86 50.15 2k9a s ASN 89 Cb -0.14 -1.28 1.32 0.00 -0.02 0.00 0.00 41.25 41.12 2k9a s ASN 89 CO 0.19 -0.39 2.05 -0.03 -2.57 0.00 0.00 177.10 176.35 2k9a h MET 90 N 7.83 0.00 0.36 -0.60 4.05 -1.96 -0.67 114.93 123.94 2k9a h MET 90 Ca -0.09 0.00 -0.02 0.00 -0.28 0.00 0.00 59.70 59.32 2k9a h MET 90 Cb 1.02 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.82 2k9a h MET 90 CO 0.50 0.14 -0.17 0.00 0.23 0.00 0.00 176.91 177.60 2k9a h ALA 91 N 1.86 -0.49 0.00 0.39 0.00 -2.00 -2.64 119.26 116.38 2k9a h ALA 91 Ca -0.00 -0.16 -0.05 0.00 0.00 0.00 0.00 54.91 54.70 2k9a h ALA 91 Cb 0.31 0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 2k9a h ALA 91 CO 0.02 -0.50 -0.23 0.00 0.00 0.00 0.00 179.25 178.54 2k9a h ALA 92 N -0.83 1.25 0.06 0.00 0.00 -1.98 -2.66 119.26 115.11 2k9a h ALA 92 Ca -0.05 -0.21 -0.00 0.00 0.00 0.00 0.00 54.91 54.65 2k9a h ALA 92 Cb 0.49 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.24 2k9a h ALA 92 CO 0.08 0.29 -0.03 0.35 0.00 0.00 0.00 179.25 179.94 2k9a h PHE 93 N 0.00 -0.08 -0.43 0.00 3.57 -1.17 -2.53 116.94 116.30 2k9a h PHE 93 Ca -0.00 -0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.48 2k9a h PHE 93 Cb 0.54 0.03 -0.02 0.00 2.79 0.00 0.00 35.95 39.29 2k9a h PHE 93 CO 0.00 0.31 0.22 1.79 -2.23 0.00 0.00 178.31 178.40 2k9a h THR 94 N -0.48 1.17 -0.95 4.41 1.35 -1.39 0.10 112.91 117.12 2k9a h THR 94 Ca -0.01 -0.48 0.08 0.00 -0.55 0.00 0.00 66.41 65.45 2k9a h THR 94 Cb 0.42 0.70 -0.07 0.00 -1.73 0.00 0.00 68.15 67.47 2k9a h THR 94 CO 0.01 0.19 0.60 0.74 -0.25 0.00 0.00 175.52 176.81 2k9a h THR 95 N 0.55 1.02 0.00 6.82 2.02 -1.52 -1.22 112.91 120.59 2k9a h THR 95 Ca 0.15 -0.36 -0.17 0.00 0.77 0.00 0.00 66.41 66.80 2k9a h THR 95 Cb 0.10 -0.12 -0.02 0.00 -1.74 0.00 0.00 68.15 66.37 2k9a h THR 95 CO -0.02 0.19 -0.80 0.74 0.37 0.00 0.00 175.52 176.00 2k9a h THR 96 N 1.05 1.47 -0.84 3.16 2.02 -1.16 -3.30 112.91 115.31 2k9a h THR 96 Ca 0.43 -2.83 -0.02 0.00 0.77 0.00 0.00 66.41 64.75 2k9a h THR 96 Cb 0.25 2.57 -0.04 0.00 -1.74 0.00 0.00 68.15 69.19 2k9a h THR 96 CO -0.20 0.78 0.44 0.25 0.37 0.00 0.00 175.52 177.17 2k9a h LEU 97 N 0.00 1.06 -1.46 2.58 6.46 0.41 -2.41 115.31 121.95 2k9a h LEU 97 Ca -0.01 -0.10 0.21 0.00 -0.12 0.00 0.00 57.88 57.86 2k9a h LEU 97 Cb 1.51 -0.27 -0.07 0.00 -0.73 0.00 0.00 40.66 41.09 2k9a h LEU 97 CO 0.10 0.87 0.61 0.06 -0.62 0.00 0.00 178.44 179.46 2k9a h GLN 98 N 1.18 0.42 0.16 1.25 3.07 -1.52 0.25 115.11 119.93 2k9a h GLN 98 Ca 0.30 -0.03 -0.29 0.00 0.09 0.00 0.00 58.65 58.72 2k9a h GLN 98 Cb 0.05 -0.10 0.01 0.00 0.08 0.00 0.00 27.48 27.53 2k9a h GLN 98 CO -0.04 0.28 -1.40 0.45 0.09 0.00 0.00 178.83 178.20 2k9a h HIS 99 N 0.44 0.63 0.00 0.06 3.86 -1.69 -3.27 115.15 115.18 2k9a h HIS 99 Ca 0.49 -0.46 0.00 0.00 -1.16 0.00 0.00 60.37 59.24 2k9a h HIS 99 Cb 1.18 -0.03 0.00 0.00 1.06 0.00 0.00 27.41 29.63 2k9a h HIS 99 CO -0.00 1.54 0.00 0.72 0.86 0.00 0.00 177.93 181.05 2k9a n HIS 100 N -3.84 0.00 0.28 2.45 8.25 -0.44 -2.70 115.22 119.22 2k9a n HIS 100 Ca -0.21 0.00 0.15 0.00 -0.26 0.00 0.00 57.72 57.40 2k9a n HIS 100 Cb 0.97 0.00 0.85 0.00 1.12 0.00 0.00 29.99 32.93 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 -0.62 -0.57 116.57 118.61 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 0.00 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 31.82 2k9a h LYS 101 CO 0.00 0.06 -0.01 0.22 -2.27 0.00 0.00 179.45 177.45 2k9a h ASP 102 N 0.00 0.00 0.00 4.20 3.58 -1.77 -3.34 116.42 119.09 2k9a h ASP 102 Ca -0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 2k9a h ASP 102 Cb 0.19 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.24 2k9a h ASP 102 CO 0.01 0.01 -0.77 1.21 -2.88 0.00 0.00 179.24 176.82 2k9a n GLU 103 N -3.11 0.41 -0.82 0.28 2.13 -0.32 -5.01 120.64 114.19 2k9a n GLU 103 Ca 0.00 0.16 -0.32 0.00 0.66 0.00 0.00 57.16 57.66 2k9a n GLU 103 Cb 0.28 -1.21 0.15 0.00 0.27 0.00 0.00 31.44 30.93 2k9a n GLU 103 CO 0.00 0.00 0.00 1.55 -0.41 0.00 0.00 177.13 178.27 2k9a n VAL 104 N -4.09 0.67 -1.53 6.31 3.14 -0.62 -4.80 118.33 117.40 2k9a n VAL 104 Ca -0.11 -0.08 -0.45 0.00 -2.96 0.00 0.00 64.34 60.74 2k9a n VAL 104 Cb 0.40 -1.04 -0.05 0.00 -1.06 0.00 0.00 33.84 32.09 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 -3.90 1.35 0.17 1.55 0.00 -1.26 -4.80 120.51 113.61 2k9a n ALA 105 Ca 0.12 -0.27 0.04 0.00 0.00 0.00 0.00 53.44 53.33 2k9a n ALA 105 Cb 0.52 -2.80 0.45 0.00 0.00 0.00 0.00 19.45 17.62 2k9a n ALA 105 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 2k9a h GLY 106 N 14.57 0.14 1.06 0.00 0.00 -1.87 -2.46 103.07 114.51 2k9a h GLY 106 Ca -0.32 -0.08 -0.08 0.00 0.00 0.00 0.00 47.33 46.84 2k9a h GLY 106 CO 1.02 0.08 0.09 -0.55 0.00 0.00 0.00 176.54 177.18 2k9a h ASP 107 N 0.13 1.04 -0.03 0.19 3.32 -1.95 0.02 116.42 119.14 2k9a h ASP 107 Ca 0.03 -0.27 -0.01 0.00 0.02 0.00 0.00 57.03 56.80 2k9a h ASP 107 Cb 0.32 -0.28 -0.00 0.00 0.22 0.00 0.00 39.33 39.59 2k9a h ASP 107 CO 0.02 1.05 -0.03 0.40 -1.72 0.00 0.00 179.24 178.96 2k9a h ILE 108 N 1.00 1.39 0.00 0.35 2.04 -1.87 -3.15 117.51 117.26 2k9a h ILE 108 Ca 0.19 -1.20 -0.05 0.00 1.00 0.00 0.00 64.86 64.80 2k9a h ILE 108 Cb 0.46 2.14 -0.01 0.00 -0.74 0.00 0.00 36.82 38.68 2k9a h ILE 108 CO 0.02 0.32 -0.24 0.15 0.00 0.00 0.00 178.15 178.39 2k9a h PHE 109 N -0.41 0.00 -1.07 1.37 3.57 -1.45 -2.66 116.94 116.30 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 0.53 0.00 -0.04 0.00 2.79 0.00 0.00 35.95 39.23 2k9a h PHE 109 CO 0.10 0.24 0.80 0.22 -2.23 0.00 0.00 178.31 177.44 2k9a h ASP 110 N 0.00 0.00 0.02 0.41 3.58 -0.94 0.58 116.42 120.07 2k9a h ASP 110 Ca -0.00 0.00 -0.00 0.00 0.42 0.00 0.00 57.03 57.45 2k9a h ASP 110 Cb 0.44 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.49 2k9a h ASP 110 CO 0.03 0.00 -0.01 -0.03 -2.88 0.00 0.00 179.24 176.35 2k9a h MET 111 N 0.00 -0.03 0.00 0.28 4.05 -1.60 -3.16 114.93 114.47 2k9a h MET 111 Ca 0.51 0.00 -0.02 0.00 -0.28 0.00 0.00 59.70 59.91 2k9a h MET 111 Cb 2.10 0.01 -0.00 0.00 -0.80 0.00 0.00 31.60 32.90 2k9a h MET 111 CO -0.01 0.58 -0.10 -0.07 0.23 0.00 0.00 176.91 177.54 2k9a h LEU 112 N -0.66 0.00 -1.89 3.39 3.38 -0.68 -2.79 115.31 116.06 2k9a h LEU 112 Ca -0.00 0.00 0.19 0.00 0.09 0.00 0.00 57.88 58.15 2k9a h LEU 112 Cb 0.62 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.34 2k9a h LEU 112 CO 0.00 0.10 0.60 0.25 0.09 0.00 0.00 178.44 179.49 2k9a h LEU 113 N 0.00 0.00 0.00 1.67 5.85 0.00 0.49 115.31 123.33 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 0.41 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.44 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 -3.83 0.00 0.31 1.05 -2.24 -1.06 -2.34 114.28 106.18 2k9a n THR 114 Ca 0.13 0.00 0.20 0.00 -2.27 0.00 0.00 64.05 62.11 2k9a n THR 114 Cb 0.84 -0.94 0.99 0.00 -2.10 0.00 0.00 70.33 69.11 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 -1.17 -3.35 116.94 117.24 2k9a h PHE 115 Ca 0.00 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.77 2k9a h PHE 115 Cb 0.00 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.15 2k9a h PHE 115 CO 0.00 0.01 0.00 -2.37 -0.60 0.00 0.00 178.31 175.35 2k9a n THR 116 N -3.11 0.00 -2.58 -1.55 5.66 -0.99 -5.01 114.28 106.70 2k9a n THR 116 Ca -0.02 0.00 -0.42 0.00 -3.05 0.00 0.00 64.05 60.57 2k9a n THR 116 Cb 0.17 0.00 -0.02 0.00 -1.55 0.00 0.00 70.33 68.93 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 -0.70 6.57 0.52 1.09 1.11 -1.04 -4.81 116.67 119.41 2k9a s ASP 117 Ca 0.00 -1.67 0.18 0.00 0.18 0.00 0.00 52.55 51.24 2k9a s ASP 117 Cb 0.00 -2.56 1.32 0.00 1.07 0.00 0.00 42.92 42.75 2k9a s ASP 117 CO 0.00 -1.42 2.15 0.15 1.18 0.00 0.00 175.17 177.22 2k9a h PHE 118 N 9.33 0.00 -0.41 4.23 3.57 -1.90 -1.50 116.94 130.26 2k9a h PHE 118 Ca 0.25 0.00 -0.10 0.00 3.53 0.00 0.00 57.97 61.65 2k9a h PHE 118 Cb 0.98 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 39.71 2k9a h PHE 118 CO 1.30 0.02 -0.14 -0.07 -2.23 0.00 0.00 178.31 177.20 2k9a h LEU 119 N 0.00 0.73 -0.47 0.59 -0.00 -1.97 -1.88 115.31 112.31 2k9a h LEU 119 Ca -0.00 -0.23 -0.12 0.00 -0.00 0.00 0.00 57.88 57.53 2k9a h LEU 119 Cb 0.04 -0.20 -0.02 0.00 -0.00 0.00 0.00 40.66 40.49 2k9a h LEU 119 CO 0.00 0.89 -0.56 0.00 -0.00 0.00 0.00 178.44 178.77 2k9a h ALA 120 N 1.18 0.78 0.25 1.53 0.00 -1.70 -2.12 119.26 119.19 2k9a h ALA 120 Ca 0.11 -0.51 -0.01 0.00 0.00 0.00 0.00 54.91 54.50 2k9a h ALA 120 Cb 0.61 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.32 2k9a h ALA 120 CO 0.04 0.70 -0.12 0.35 0.00 0.00 0.00 179.25 180.22 2k9a h PHE 121 N 0.00 -0.32 -0.15 0.00 3.57 -1.04 -1.57 116.94 117.43 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 1.22 0.10 -0.01 0.00 2.79 0.00 0.00 35.95 40.06 2k9a h PHE 121 CO 0.00 0.05 0.07 -0.22 -2.23 0.00 0.00 178.31 175.98 2k9a h LYS 122 N -0.80 0.23 -0.64 1.11 3.64 -1.43 -2.45 116.57 116.22 2k9a h LYS 122 Ca -0.03 -0.04 0.09 0.00 -1.27 0.00 0.00 60.65 59.40 2k9a h LYS 122 Cb 0.51 -0.04 -0.04 0.00 -0.41 0.00 0.00 32.23 32.25 2k9a h LYS 122 CO 0.06 0.29 0.43 1.49 -2.27 0.00 0.00 179.45 179.45 2k9a h GLU 123 N 0.11 0.49 -0.21 1.90 4.81 -1.46 -0.72 114.58 119.50 2k9a h GLU 123 Ca 0.05 -0.03 -0.00 0.00 -0.13 0.00 0.00 59.36 59.25 2k9a h GLU 123 Cb 0.15 -0.11 -0.01 0.00 0.63 0.00 0.00 28.75 29.41 2k9a h GLU 123 CO -0.01 0.33 0.12 1.98 -0.73 0.00 0.00 179.01 180.70 2k9a h MET 124 N 0.51 0.29 -0.37 1.92 4.05 -0.81 -1.25 114.93 119.27 2k9a h MET 124 Ca 0.29 -0.03 -0.13 0.00 -0.28 0.00 0.00 59.70 59.55 2k9a h MET 124 Cb 0.48 -0.06 -0.01 0.00 -0.80 0.00 0.00 31.60 31.21 2k9a h MET 124 CO -0.09 0.26 -0.30 0.74 0.23 0.00 0.00 176.91 177.75 2k9a h PHE 125 N 0.24 0.93 -0.47 1.39 0.04 -1.09 -2.53 116.94 115.45 2k9a h PHE 125 Ca 0.07 -0.24 -0.03 0.00 2.80 0.00 0.00 57.97 60.57 2k9a h PHE 125 Cb 0.06 -0.21 -0.02 0.00 2.20 0.00 0.00 35.95 37.97 2k9a h PHE 125 CO -0.04 1.00 0.16 -0.07 -0.60 0.00 0.00 178.31 178.75 2k9a h LEU 126 N 0.68 0.62 -0.36 1.54 4.07 -0.97 -1.71 115.31 119.17 2k9a h LEU 126 Ca 0.08 -0.08 -0.18 0.00 0.08 0.00 0.00 57.88 57.78 2k9a h LEU 126 Cb 0.84 -0.16 -0.00 0.00 1.08 0.00 0.00 40.66 42.42 2k9a h LEU 126 CO 0.07 0.58 -0.53 -0.78 -1.08 0.00 0.00 178.44 176.70 2k9a h ASP 127 N 0.67 0.89 -0.58 -0.43 1.82 -1.07 -2.14 116.42 115.58 2k9a h ASP 127 Ca 0.16 -0.47 -0.04 0.00 -0.39 0.00 0.00 57.03 56.29 2k9a h ASP 127 Cb 0.18 -0.26 -0.03 0.00 0.68 0.00 0.00 39.33 39.91 2k9a h ASP 127 CO -0.01 1.25 0.22 0.22 -1.61 0.00 0.00 179.24 179.31 2k9a h TYR 128 N 0.62 0.89 -0.50 0.28 3.20 -1.02 -1.94 116.97 118.51 2k9a h TYR 128 Ca 0.02 -0.07 -0.09 0.00 3.14 0.00 0.00 58.73 61.72 2k9a h TYR 128 Cb 1.12 -0.26 -0.02 0.00 1.54 0.00 0.00 36.73 39.11 2k9a h TYR 128 CO 0.06 0.73 -0.06 -0.09 -1.64 0.00 0.00 178.16 177.17 2k9a h ARG 129 N 0.80 0.92 0.00 1.82 2.43 -1.31 -2.61 114.38 116.43 2k9a h ARG 129 Ca 0.19 -0.32 -0.02 0.00 -0.81 0.00 0.00 59.98 59.02 2k9a h ARG 129 Cb 0.22 -0.07 -0.00 0.00 -0.42 0.00 0.00 29.97 29.70 2k9a h ARG 129 CO -0.01 0.97 -0.10 0.00 -1.51 0.00 0.00 179.97 179.32 2k9a h ALA 130 N 0.92 1.51 0.00 2.80 0.00 -1.17 -1.13 119.26 122.20 2k9a h ALA 130 Ca 0.13 -0.09 -0.02 0.00 0.00 0.00 0.00 54.91 54.93 2k9a h ALA 130 Cb 0.60 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.37 2k9a h ALA 130 CO 0.04 0.13 -0.10 1.49 0.00 0.00 0.00 179.25 180.80 2k9a h GLU 131 N 0.00 0.00 0.00 0.00 4.81 -0.96 -2.85 114.58 115.58 2k9a h GLU 131 Ca -0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 2k9a h GLU 131 Cb 0.22 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.60 2k9a h GLU 131 CO 0.01 0.10 0.00 0.87 -0.73 0.00 0.00 179.01 179.26 2k9a h LYS 132 N 0.00 0.00 0.00 1.92 1.79 -1.16 -2.18 116.57 116.94 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 0.66 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 31.31 2k9a h LYS 132 CO 0.01 0.00 -0.00 0.93 -1.08 0.00 0.00 179.45 179.31 2k9a h GLU 133 N 0.00 0.00 0.00 3.15 5.08 -1.65 -3.46 114.58 117.70 2k9a h GLU 133 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2k9a h GLU 133 Cb 0.18 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.43 2k9a h GLU 133 CO 0.00 0.00 0.00 0.41 -1.00 0.00 0.00 179.01 178.42 2k9a n GLY 134 N -1.42 0.97 0.01 -3.84 0.00 -0.82 -4.97 105.19 95.13 2k9a n GLY 134 Ca -0.03 -0.03 0.12 0.00 0.00 0.00 0.00 46.02 46.08 2k9a n GLY 134 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2k9a n ARG 135 N -2.04 0.04 0.00 1.61 1.74 -1.26 -5.17 116.66 111.58 2k9a n ARG 135 Ca 0.00 -0.02 0.00 0.00 -0.77 0.00 0.00 57.85 57.06 2k9a n ARG 135 Cb 0.00 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 29.94 2k9a n ARG 135 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52