#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k9a s ASP 2 N 0.00 4.03 -0.28 3.17 1.47 -1.26 -5.14 116.67 118.66 2k9a s ASP 2 Ca 0.00 -1.58 -0.00 0.00 1.18 0.00 0.00 52.55 52.15 2k9a s ASP 2 Cb 0.00 0.26 0.14 0.00 -0.34 0.00 0.00 42.92 42.98 2k9a s ASP 2 CO 0.00 -0.74 0.32 0.00 0.68 0.00 0.00 175.17 175.43 2k9a s ALA 3 N -2.84 -0.65 -0.01 2.11 0.00 -1.26 -5.03 121.76 114.08 2k9a s ALA 3 Ca 0.14 -0.09 -0.06 0.00 0.00 0.00 0.00 51.96 51.96 2k9a s ALA 3 Cb 0.04 -1.83 -0.02 0.00 0.00 0.00 0.00 23.12 21.32 2k9a s ALA 3 CO 0.07 -1.66 -0.11 1.28 0.00 0.00 0.00 175.76 175.34 2k9a n LEU 4 N 5.32 1.16 -4.22 0.00 4.77 -1.26 -5.06 117.00 117.71 2k9a n LEU 4 Ca -0.02 0.17 -0.27 0.00 -0.03 0.00 0.00 56.01 55.86 2k9a n LEU 4 Cb 0.47 -0.44 -0.15 0.00 -2.33 0.00 0.00 43.42 40.97 2k9a n LEU 4 CO 0.01 -0.55 -0.53 -0.70 -1.33 0.00 0.00 177.39 174.29 2k9a s GLU 5 N -2.09 1.67 0.00 3.23 2.56 -1.26 -5.07 118.70 117.73 2k9a s GLU 5 Ca -0.09 -0.76 0.00 0.00 0.00 0.00 0.00 54.97 54.12 2k9a s GLU 5 Cb 0.01 -1.62 0.00 0.00 2.00 0.00 0.00 34.13 34.52 2k9a s GLU 5 CO 0.14 0.44 0.00 0.41 -0.56 0.00 0.00 175.26 175.69 2k9a n GLY 6 N 2.51 0.70 3.87 -1.50 0.00 -1.26 -5.14 105.19 104.38 2k9a n GLY 6 Ca -0.15 -0.04 -0.29 0.00 0.00 0.00 0.00 46.02 45.53 2k9a n GLY 6 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2k9a s GLU 7 N 0.19 1.69 0.18 1.61 2.02 -1.26 -4.99 118.70 118.14 2k9a s GLU 7 Ca 0.00 0.13 0.13 0.00 0.02 0.00 0.00 54.97 55.25 2k9a s GLU 7 Cb 0.00 -1.92 -0.06 0.00 0.10 0.00 0.00 34.13 32.26 2k9a s GLU 7 CO 0.00 -1.79 1.24 1.03 0.02 0.00 0.00 175.26 175.76 2k9a h SER 8 N -1.20 0.00 -3.33 -0.19 0.87 -2.06 -3.44 113.55 104.20 2k9a h SER 8 Ca -0.47 0.00 -0.57 0.00 -1.23 0.00 0.00 61.79 59.52 2k9a h SER 8 Cb 1.33 0.00 -0.06 0.00 -0.44 0.00 0.00 62.40 63.22 2k9a h SER 8 CO 0.64 0.66 -0.02 -0.36 -0.53 0.00 0.00 176.83 177.21 2k9a s PHE 9 N -2.88 3.58 0.00 2.24 0.08 -1.26 -4.90 117.98 114.85 2k9a s PHE 9 Ca 0.01 1.11 0.00 0.00 0.12 0.00 0.00 56.93 58.17 2k9a s PHE 9 Cb 0.08 -2.66 0.00 0.00 -0.57 0.00 0.00 43.02 39.87 2k9a s PHE 9 CO 0.78 0.19 0.15 0.00 -0.10 0.00 0.00 175.22 176.25 2k9a n ALA 10 N 3.44 0.31 -1.47 5.36 0.00 -1.26 -5.07 120.51 121.82 2k9a n ALA 10 Ca -0.05 -0.15 0.19 0.00 0.00 0.00 0.00 53.44 53.43 2k9a n ALA 10 Cb 0.51 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.90 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 -0.81 -1.04 0.00 4.77 -1.26 -4.43 117.00 114.23 2k9a n LEU 11 Ca 0.00 1.82 0.12 0.00 -0.03 0.00 0.00 56.01 57.92 2k9a n LEU 11 Cb 0.33 -4.61 0.24 0.00 -2.33 0.00 0.00 43.42 37.04 2k9a n LEU 11 CO 0.00 -3.53 0.71 -0.24 -1.33 0.00 0.00 177.39 173.00 2k9a n SER 12 N -4.33 3.12 0.00 -1.43 2.88 -1.26 -4.99 113.62 107.61 2k9a n SER 12 Ca -0.02 -1.95 0.00 0.00 -1.33 0.00 0.00 58.87 55.58 2k9a n SER 12 Cb 0.68 -0.21 0.00 0.00 -0.75 0.00 0.00 64.21 63.93 2k9a n SER 12 CO 0.00 0.00 0.00 0.49 -1.23 0.00 0.00 175.04 174.30 2k9a n PHE 13 N 1.28 0.00 -3.06 0.66 3.72 -1.26 -4.75 117.46 114.05 2k9a n PHE 13 Ca 0.18 0.00 -0.19 0.00 -0.05 0.00 0.00 57.45 57.40 2k9a n PHE 13 Cb 0.56 0.00 -0.01 0.00 -0.94 0.00 0.00 39.48 39.09 2k9a n PHE 13 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 176.76 175.58 2k9a n SER 14 N 2.33 -3.51 0.00 4.37 3.41 -1.26 -4.62 113.62 114.34 2k9a n SER 14 Ca 0.00 -0.17 0.00 0.00 -0.26 0.00 0.00 58.87 58.44 2k9a n SER 14 Cb 0.00 -2.94 0.00 0.00 -0.26 0.00 0.00 64.21 61.01 2k9a n SER 14 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 2k9a n SER 15 N -2.10 0.00 -0.15 4.04 3.41 -1.26 -4.68 113.62 112.88 2k9a n SER 15 Ca -0.05 0.00 -0.09 0.00 -0.26 0.00 0.00 58.87 58.48 2k9a n SER 15 Cb 0.56 0.00 -0.00 0.00 -0.26 0.00 0.00 64.21 64.50 2k9a n SER 15 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2k9a h ALA 16 N 0.00 0.57 -0.66 7.33 0.00 -1.96 -1.44 119.26 123.10 2k9a h ALA 16 Ca 0.00 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.76 2k9a h ALA 16 Cb 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.62 2k9a h ALA 16 CO 0.00 0.18 0.00 0.45 0.00 0.00 0.00 179.25 179.88 2k9a n SER 17 N -4.60 3.58 -2.67 0.00 2.88 -1.26 -4.57 113.62 106.99 2k9a n SER 17 Ca 0.01 -2.02 -0.06 0.00 -1.33 0.00 0.00 58.87 55.47 2k9a n SER 17 Cb 0.15 -0.45 0.00 0.00 -0.75 0.00 0.00 64.21 63.17 2k9a n SER 17 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 2k9a n ASP 18 N 1.42 1.14 0.25 -3.46 9.92 -1.00 -5.01 116.55 119.81 2k9a n ASP 18 Ca 0.22 -1.42 0.13 0.00 -0.53 0.00 0.00 54.79 53.19 2k9a n ASP 18 Cb 0.57 -0.04 0.64 0.00 -0.64 0.00 0.00 41.12 41.65 2k9a n ASP 18 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2k9a h ALA 19 N 0.64 1.13 -0.83 2.24 0.00 -1.91 -3.01 119.26 117.51 2k9a h ALA 19 Ca -0.08 -0.13 0.07 0.00 0.00 0.00 0.00 54.91 54.77 2k9a h ALA 19 Cb 0.29 -0.02 -0.06 0.00 0.00 0.00 0.00 17.79 18.00 2k9a h ALA 19 CO 0.12 0.18 0.50 1.49 0.00 0.00 0.00 179.25 181.54 2k9a h GLU 20 N 0.00 0.88 -0.53 0.00 4.81 -1.91 -1.71 114.58 116.12 2k9a h GLU 20 Ca -0.00 -0.05 0.04 0.00 -0.13 0.00 0.00 59.36 59.22 2k9a h GLU 20 Cb 0.51 -0.20 -0.04 0.00 0.63 0.00 0.00 28.75 29.65 2k9a h GLU 20 CO 0.02 0.58 0.28 0.35 -0.73 0.00 0.00 179.01 179.51 2k9a h PHE 21 N 0.90 0.52 -0.90 0.92 3.04 -1.13 -1.44 116.94 118.86 2k9a h PHE 21 Ca 0.37 0.02 0.04 0.00 3.98 0.00 0.00 57.97 62.38 2k9a h PHE 21 Cb 0.21 -0.16 -0.05 0.00 2.56 0.00 0.00 35.95 38.51 2k9a h PHE 21 CO -0.04 0.26 0.59 0.22 -2.02 0.00 0.00 178.31 177.32 2k9a h ASP 22 N 0.55 0.97 -0.23 0.41 3.58 -1.47 -1.93 116.42 118.30 2k9a h ASP 22 Ca 0.23 -0.01 -0.00 0.00 0.42 0.00 0.00 57.03 57.67 2k9a h ASP 22 Cb 0.12 -0.22 -0.01 0.00 1.72 0.00 0.00 39.33 40.93 2k9a h ASP 22 CO -0.15 0.67 0.13 0.00 -2.88 0.00 0.00 179.24 177.01 2k9a h ALA 23 N 1.47 0.29 -0.95 -0.78 0.00 -0.62 -2.29 119.26 116.38 2k9a h ALA 23 Ca 0.36 -0.05 0.03 0.00 0.00 0.00 0.00 54.91 55.25 2k9a h ALA 23 Cb 0.02 -0.09 -0.05 0.00 0.00 0.00 0.00 17.79 17.66 2k9a h ALA 23 CO -0.11 -0.19 0.62 0.28 0.00 0.00 0.00 179.25 179.85 2k9a h VAL 24 N 0.27 1.18 -0.90 0.00 2.07 -0.82 -1.69 116.25 116.36 2k9a h VAL 24 Ca 0.08 -0.42 0.01 0.00 0.82 0.00 0.00 66.70 67.20 2k9a h VAL 24 Cb 0.04 -0.14 -0.05 0.00 -1.52 0.00 0.00 31.29 29.62 2k9a h VAL 24 CO -0.01 0.22 0.59 0.58 0.02 0.00 0.00 177.57 178.97 2k9a h VAL 25 N 1.21 1.22 -0.05 2.57 2.07 -1.02 -1.73 116.25 120.52 2k9a h VAL 25 Ca 0.37 -0.41 -0.00 0.00 0.82 0.00 0.00 66.70 67.48 2k9a h VAL 25 Cb -0.02 -0.09 -0.00 0.00 -1.52 0.00 0.00 31.29 29.66 2k9a h VAL 25 CO -0.11 0.22 0.02 1.23 0.02 0.00 0.00 177.57 178.95 2k9a h GLY 26 N 1.20 0.08 0.97 2.17 0.00 -0.76 -2.20 103.07 104.53 2k9a h GLY 26 Ca 0.33 -0.04 0.04 0.00 0.00 0.00 0.00 47.33 47.66 2k9a h GLY 26 CO -0.08 0.04 0.59 -0.97 0.00 0.00 0.00 176.54 176.12 2k9a h TYR 27 N -0.06 1.08 -0.85 5.60 0.05 -1.15 -1.67 116.97 119.97 2k9a h TYR 27 Ca 0.02 0.03 -0.00 0.00 0.05 0.00 0.00 58.73 58.82 2k9a h TYR 27 Cb 0.15 -0.36 -0.04 0.00 1.01 0.00 0.00 36.73 37.49 2k9a h TYR 27 CO -0.03 0.61 0.53 -0.07 -1.05 0.00 0.00 178.16 178.16 2k9a h LEU 28 N 1.10 1.00 -0.56 3.88 3.38 -1.06 -2.49 115.31 120.57 2k9a h LEU 28 Ca 0.36 -0.05 0.01 0.00 0.09 0.00 0.00 57.88 58.29 2k9a h LEU 28 Cb 0.06 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.52 2k9a h LEU 28 CO -0.12 0.76 0.36 -0.33 0.09 0.00 0.00 178.44 179.20 2k9a h GLU 29 N 1.16 0.70 -0.61 1.13 5.08 -0.68 -1.63 114.58 119.74 2k9a h GLU 29 Ca 0.31 -0.04 0.03 0.00 -1.00 0.00 0.00 59.36 58.66 2k9a h GLU 29 Cb -0.08 -0.16 -0.03 0.00 0.50 0.00 0.00 28.75 28.98 2k9a h GLU 29 CO -0.06 0.46 0.40 -0.44 -1.00 0.00 0.00 179.01 178.37 2k9a h ASP 30 N 0.72 0.61 -0.38 1.42 3.32 -1.12 -1.85 116.42 119.15 2k9a h ASP 30 Ca 0.21 -0.01 -0.07 0.00 0.02 0.00 0.00 57.03 57.18 2k9a h ASP 30 Cb -0.04 -0.14 -0.01 0.00 0.22 0.00 0.00 39.33 39.35 2k9a h ASP 30 CO -0.07 0.42 -0.05 0.40 -1.72 0.00 0.00 179.24 178.22 2k9a h ILE 31 N 0.71 1.27 0.00 0.35 2.04 -0.94 0.90 117.51 121.84 2k9a h ILE 31 Ca 0.24 -1.10 -0.01 0.00 1.00 0.00 0.00 64.86 65.00 2k9a h ILE 31 Cb 0.09 1.22 -0.00 0.00 -0.74 0.00 0.00 36.82 37.39 2k9a h ILE 31 CO -0.07 0.36 -0.05 0.40 0.00 0.00 0.00 178.15 178.79 2k9a h ILE 32 N 0.51 0.97 -0.00 -0.67 2.04 -0.56 -1.08 117.51 118.72 2k9a h ILE 32 Ca 0.10 -0.19 0.00 0.00 1.00 0.00 0.00 64.86 65.77 2k9a h ILE 32 Cb 0.55 1.10 0.00 0.00 -0.74 0.00 0.00 36.82 37.73 2k9a h ILE 32 CO 0.03 0.05 -0.63 0.23 0.00 0.00 0.00 178.15 177.83 2k9a n MET 33 N -4.38 0.39 -1.87 2.37 2.81 -0.85 -4.82 117.12 110.79 2k9a n MET 33 Ca -0.03 -0.29 -0.42 0.00 -1.81 0.00 0.00 57.70 55.15 2k9a n MET 33 Cb 0.14 -1.49 -0.03 0.00 -0.71 0.00 0.00 33.22 31.12 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 -2.81 6.52 0.11 7.83 2.15 0.28 -4.92 116.67 125.84 2k9a s ASP 34 Ca 0.14 2.70 -0.21 0.00 0.43 0.00 0.00 52.55 55.60 2k9a s ASP 34 Cb 0.17 -2.59 -0.09 0.00 -0.30 0.00 0.00 42.92 40.11 2k9a s ASP 34 CO 0.70 -0.88 1.74 0.44 -0.17 0.00 0.00 175.17 177.01 2k9a h ASP 35 N 6.85 0.03 -0.11 -0.34 3.32 -1.89 -1.45 116.42 122.84 2k9a h ASP 35 Ca -0.43 0.01 0.03 0.00 0.02 0.00 0.00 57.03 56.67 2k9a h ASP 35 Cb 1.20 0.01 -0.00 0.00 0.22 0.00 0.00 39.33 40.76 2k9a h ASP 35 CO 0.93 0.04 0.10 -0.08 -1.72 0.00 0.00 179.24 178.51 2k9a h GLU 36 N 0.09 0.00 -0.07 3.56 4.81 -1.94 -0.62 114.58 120.41 2k9a h GLU 36 Ca 0.05 0.00 -0.21 0.00 -0.13 0.00 0.00 59.36 59.07 2k9a h GLU 36 Cb 0.03 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.42 2k9a h GLU 36 CO -0.06 0.00 -0.82 0.35 -0.73 0.00 0.00 179.01 177.76 2k9a h PHE 37 N 0.00 0.73 -0.39 0.92 3.57 -1.55 -2.44 116.94 117.78 2k9a h PHE 37 Ca 0.05 -0.34 -0.09 0.00 3.53 0.00 0.00 57.97 61.12 2k9a h PHE 37 Cb 0.26 -0.10 -0.02 0.00 2.79 0.00 0.00 35.95 38.88 2k9a h PHE 37 CO 0.00 1.14 -0.12 1.96 -2.23 0.00 0.00 178.31 179.06 2k9a h GLN 38 N 0.34 0.69 -0.38 1.11 4.20 -0.47 -1.71 115.11 118.89 2k9a h GLN 38 Ca -0.05 -0.23 -0.15 0.00 0.06 0.00 0.00 58.65 58.28 2k9a h GLN 38 Cb 1.42 -0.06 -0.01 0.00 0.30 0.00 0.00 27.48 29.14 2k9a h GLN 38 CO 0.15 0.79 -0.36 1.25 -0.67 0.00 0.00 178.83 179.99 2k9a h LEU 39 N 0.63 0.97 0.27 1.46 7.12 -1.40 -1.14 115.31 123.23 2k9a h LEU 39 Ca 0.11 -0.46 -0.01 0.00 0.13 0.00 0.00 57.88 57.64 2k9a h LEU 39 Cb 0.58 -0.27 0.00 0.00 -0.53 0.00 0.00 40.66 40.44 2k9a h LEU 39 CO 0.04 1.23 -0.13 0.25 -0.13 0.00 0.00 178.44 179.70 2k9a h LEU 40 N 0.72 -0.31 -0.12 2.25 7.12 -1.22 -0.08 115.31 123.67 2k9a h LEU 40 Ca 0.06 -0.08 -0.01 0.00 0.13 0.00 0.00 57.88 57.97 2k9a h LEU 40 Cb 0.96 0.08 -0.00 0.00 -0.53 0.00 0.00 40.66 41.16 2k9a h LEU 40 CO 0.09 -0.10 0.02 -0.61 -0.13 0.00 0.00 178.44 177.71 2k9a h GLN 41 N -0.50 0.21 -0.65 1.25 4.15 -1.37 -2.86 115.11 115.35 2k9a h GLN 41 Ca -0.04 -0.06 -0.07 0.00 0.77 0.00 0.00 58.65 59.26 2k9a h GLN 41 Cb 0.37 -0.02 -0.03 0.00 0.21 0.00 0.00 27.48 28.01 2k9a h GLN 41 CO 0.06 0.40 0.14 -0.09 -1.93 0.00 0.00 178.83 177.41 2k9a h ARG 42 N -0.02 1.03 -0.10 1.69 2.43 -1.24 0.04 114.38 118.21 2k9a h ARG 42 Ca 0.04 -0.24 0.00 0.00 -0.81 0.00 0.00 59.98 58.97 2k9a h ARG 42 Cb 0.29 -0.14 -0.00 0.00 -0.42 0.00 0.00 29.97 29.70 2k9a h ARG 42 CO 0.00 0.92 0.06 -0.97 -1.51 0.00 0.00 179.97 178.47 2k9a h ASN 43 N 0.98 0.11 -0.03 -3.80 -0.73 -0.97 -1.79 115.58 109.35 2k9a h ASN 43 Ca 0.20 -0.03 -0.18 0.00 1.87 0.00 0.00 56.30 58.17 2k9a h ASN 43 Cb 0.36 -0.03 0.01 0.00 0.27 0.00 0.00 38.32 38.94 2k9a h ASN 43 CO 0.00 0.10 -0.67 -0.26 -0.37 0.00 0.00 177.43 176.24 2k9a h PHE 44 N 0.11 0.74 -0.05 0.67 -1.00 -1.44 -3.18 116.94 112.79 2k9a h PHE 44 Ca 0.04 -0.38 0.01 0.00 2.81 0.00 0.00 57.97 60.45 2k9a h PHE 44 Cb 0.01 -0.09 -0.00 0.00 3.61 0.00 0.00 35.95 39.47 2k9a h PHE 44 CO -0.06 1.19 0.06 0.52 -1.61 0.00 0.00 178.31 178.41 2k9a h MET 45 N 0.08 0.00 -0.19 1.51 2.86 -0.97 -0.50 114.93 117.72 2k9a h MET 45 Ca -0.07 0.00 0.03 0.00 -2.06 0.00 0.00 59.70 57.59 2k9a h MET 45 Cb 1.35 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 33.00 2k9a h MET 45 CO 0.13 0.00 0.13 0.22 1.06 0.00 0.00 176.91 178.45 2k9a h ASP 46 N 0.00 0.11 0.02 1.22 3.58 -1.29 -1.30 116.42 118.76 2k9a h ASP 46 Ca 0.02 -0.00 -0.39 0.00 0.42 0.00 0.00 57.03 57.08 2k9a h ASP 46 Cb 0.15 -0.03 -0.06 0.00 1.72 0.00 0.00 39.33 41.11 2k9a h ASP 46 CO -0.00 0.08 -2.38 1.17 -2.88 0.00 0.00 179.24 175.23 2k9a n LYS 47 N -4.50 0.66 -0.01 0.28 3.00 -0.31 -4.37 118.16 112.91 2k9a n LYS 47 Ca 0.01 0.20 -0.09 0.00 -0.00 0.00 0.00 58.31 58.43 2k9a n LYS 47 Cb 0.18 -1.55 -0.03 0.00 0.00 0.00 0.00 35.03 33.63 2k9a n LYS 47 CO 0.00 0.00 0.00 1.88 0.00 0.00 0.00 177.40 179.28 2k9a h TYR 48 N -0.18 -0.54 0.00 5.64 -1.99 -1.13 -0.03 116.97 118.75 2k9a h TYR 48 Ca -0.57 0.03 0.00 0.00 2.00 0.00 0.00 58.73 60.19 2k9a h TYR 48 Cb 1.86 0.26 0.00 0.00 2.00 0.00 0.00 36.73 40.85 2k9a h TYR 48 CO 0.02 -0.28 0.11 0.10 -0.00 0.00 0.00 178.16 178.11 2k9a h TYR 49 N -0.25 0.00 0.17 4.88 -0.00 -1.47 -0.96 116.97 119.33 2k9a h TYR 49 Ca 0.11 0.00 -0.25 0.00 -0.00 0.00 0.00 58.73 58.59 2k9a h TYR 49 Cb 0.41 0.00 0.02 0.00 -0.00 0.00 0.00 36.73 37.16 2k9a h TYR 49 CO -0.32 0.00 -1.13 -0.07 -0.00 0.00 0.00 178.16 176.64 2k9a h LEU 50 N 0.00 0.56 -0.53 0.10 3.38 -1.21 -3.35 115.31 114.26 2k9a h LEU 50 Ca 0.00 -0.93 -0.08 0.00 0.09 0.00 0.00 57.88 56.96 2k9a h LEU 50 Cb 0.22 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.77 2k9a h LEU 50 CO 0.00 1.53 0.01 -0.33 0.09 0.00 0.00 178.44 179.74 2k9a h GLU 51 N -0.21 0.92 -5.86 1.13 4.39 -0.75 -3.38 114.58 110.82 2k9a h GLU 51 Ca -0.21 -0.29 -0.42 0.00 0.34 0.00 0.00 59.36 58.79 2k9a h GLU 51 Cb 1.82 -0.09 -0.07 0.00 -0.10 0.00 0.00 28.75 30.31 2k9a h GLU 51 CO 0.17 0.93 1.07 -0.06 -1.16 0.00 0.00 179.01 179.96 2k9a s PHE 52 N -5.04 2.11 0.05 4.33 0.40 -0.81 -4.95 117.98 114.07 2k9a s PHE 52 Ca -0.12 0.02 0.03 0.00 -0.60 0.00 0.00 56.93 56.26 2k9a s PHE 52 Cb 0.12 -4.31 -0.04 0.00 0.51 0.00 0.00 43.02 39.31 2k9a s PHE 52 CO 0.83 -1.80 0.02 -1.21 0.70 0.00 0.00 175.22 173.76 2k9a s GLU 53 N 6.16 2.72 -0.78 0.44 2.02 -1.26 -4.80 118.70 123.19 2k9a s GLU 53 Ca 0.61 -0.72 -0.25 0.00 0.02 0.00 0.00 54.97 54.62 2k9a s GLU 53 Cb -0.04 -2.63 -0.01 0.00 0.10 0.00 0.00 34.13 31.55 2k9a s GLU 53 CO -0.04 0.58 1.73 0.34 0.02 0.00 0.00 175.26 177.90 2k9a s ASP 54 N -2.05 5.55 0.20 -0.19 2.15 -1.26 -4.90 116.67 116.17 2k9a s ASP 54 Ca 0.24 -0.37 0.05 0.00 0.43 0.00 0.00 52.55 52.90 2k9a s ASP 54 Cb -0.12 -2.55 -0.02 0.00 -0.30 0.00 0.00 42.92 39.94 2k9a s ASP 54 CO 0.16 -2.28 0.17 0.35 -0.17 0.00 0.00 175.17 173.40 2k9a n THR 55 N 7.24 0.00 -0.05 1.71 -2.24 -1.26 -5.08 114.28 114.60 2k9a n THR 55 Ca 0.26 -1.48 -0.05 0.00 -2.27 0.00 0.00 64.05 60.50 2k9a n THR 55 Cb 0.50 0.74 -0.08 0.00 -2.10 0.00 0.00 70.33 69.38 2k9a n THR 55 CO 0.00 0.00 0.00 -1.84 -0.57 0.00 0.00 175.07 172.66 2k9a n GLU 56 N -0.39 2.31 -2.74 -0.78 0.28 -1.26 -4.96 120.64 113.10 2k9a n GLU 56 Ca 0.05 -0.00 -0.42 0.00 -0.16 0.00 0.00 57.16 56.62 2k9a n GLU 56 Cb 0.37 -1.26 -0.03 0.00 1.43 0.00 0.00 31.44 31.95 2k9a n GLU 56 CO 0.00 0.00 0.00 -1.21 -0.16 0.00 0.00 177.13 175.76 2k9a s GLU 57 N -2.25 4.26 -0.22 3.44 2.02 -1.26 -5.02 118.70 119.66 2k9a s GLU 57 Ca -0.05 1.22 -0.18 0.00 0.02 0.00 0.00 54.97 55.98 2k9a s GLU 57 Cb 0.03 -3.63 -0.03 0.00 0.10 0.00 0.00 34.13 30.60 2k9a s GLU 57 CO 0.42 -0.55 0.51 1.21 0.02 0.00 0.00 175.26 176.88 2k9a s ASN 58 N 1.22 6.51 0.44 -0.19 3.84 -1.26 -5.07 114.94 120.43 2k9a s ASN 58 Ca 0.41 0.61 0.00 0.00 0.21 0.00 0.00 52.86 54.10 2k9a s ASN 58 Cb -0.15 -2.29 -0.01 0.00 -0.55 0.00 0.00 41.25 38.25 2k9a s ASN 58 CO 0.08 -0.21 0.66 -0.54 -2.79 0.00 0.00 177.10 174.29 2k9a s LYS 59 N 1.87 3.12 0.12 0.43 1.02 -1.26 -5.00 119.74 120.04 2k9a s LYS 59 Ca 0.23 -0.47 0.27 0.00 0.02 0.00 0.00 55.97 56.02 2k9a s LYS 59 Cb -0.15 -2.57 0.98 0.00 -0.52 0.00 0.00 37.83 35.57 2k9a s LYS 59 CO 0.09 -0.22 1.84 1.28 -0.92 0.00 0.00 175.35 177.42 2k9a n LEU 60 N -2.04 0.48 0.11 3.17 4.32 -1.26 -3.32 117.00 118.45 2k9a n LEU 60 Ca 0.01 0.54 0.10 0.00 -0.02 0.00 0.00 56.01 56.64 2k9a n LEU 60 Cb 0.57 -0.39 0.46 0.00 -1.62 0.00 0.00 43.42 42.44 2k9a n LEU 60 CO 0.48 -0.10 0.80 0.00 -1.22 0.00 0.00 177.39 177.34 2k9a n ILE 61 N -1.94 1.02 0.20 -0.08 0.13 -1.26 -2.09 119.36 115.34 2k9a n ILE 61 Ca 0.06 0.42 0.06 0.00 -1.10 0.00 0.00 62.75 62.19 2k9a n ILE 61 Cb 0.39 -1.35 0.42 0.00 -0.84 0.00 0.00 39.64 38.26 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 0.09 9.51 -1.99 -1.98 -2.84 116.97 119.76 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 0.20 0.00 0.00 0.00 2.00 0.00 0.00 36.73 38.94 2k9a h TYR 62 CO 0.00 0.32 -0.04 1.15 -0.00 0.00 0.00 178.16 179.59 2k9a h THR 63 N 0.00 1.14 -0.46 -2.88 2.02 -1.69 -2.65 112.91 108.39 2k9a h THR 63 Ca -0.00 -1.31 0.01 0.00 0.77 0.00 0.00 66.41 65.87 2k9a h THR 63 Cb 0.73 1.92 -0.02 0.00 -1.74 0.00 0.00 68.15 69.04 2k9a h THR 63 CO 0.04 0.30 0.30 -0.65 0.37 0.00 0.00 175.52 175.88 2k9a h PRO 64 N -0.77 0.60 -0.46 6.66 0.11 -1.71 -1.31 132.00 135.12 2k9a h PRO 64 Ca -0.01 -0.04 0.04 0.00 0.11 0.00 0.00 66.00 66.10 2k9a h PRO 64 Cb 0.58 -0.14 -0.04 0.00 0.11 0.00 0.00 31.00 31.51 2k9a h PRO 64 CO 0.02 0.40 0.23 0.82 -0.21 0.00 0.00 178.00 179.25 2k9a h ILE 65 N 0.62 0.96 -0.65 4.15 2.04 -1.61 -0.92 117.51 122.10 2k9a h ILE 65 Ca 0.17 -0.15 -0.03 0.00 1.00 0.00 0.00 64.86 65.85 2k9a h ILE 65 Cb -0.06 0.47 -0.03 0.00 -0.74 0.00 0.00 36.82 36.46 2k9a h ILE 65 CO -0.04 0.08 0.28 0.15 0.00 0.00 0.00 178.15 178.62 2k9a h PHE 66 N 0.45 0.97 0.00 1.37 3.57 -1.20 -1.89 116.94 120.21 2k9a h PHE 66 Ca 0.20 -0.06 -0.02 0.00 3.53 0.00 0.00 57.97 61.61 2k9a h PHE 66 Cb 0.11 -0.29 -0.00 0.00 2.79 0.00 0.00 35.95 38.56 2k9a h PHE 66 CO -0.11 0.75 -0.11 -0.91 -2.23 0.00 0.00 178.31 175.70 2k9a h ASN 67 N 0.91 0.00 0.35 0.41 -0.26 -0.72 -2.20 115.58 114.07 2k9a h ASN 67 Ca 0.22 0.00 -0.25 0.00 -0.56 0.00 0.00 56.30 55.71 2k9a h ASN 67 Cb 0.17 0.00 0.01 0.00 -1.06 0.00 0.00 38.32 37.44 2k9a h ASN 67 CO -0.02 0.11 -1.06 -0.08 -1.06 0.00 0.00 177.43 175.32 2k9a h GLU 68 N 0.00 0.43 -0.50 0.81 4.57 -0.41 -2.45 114.58 117.04 2k9a h GLU 68 Ca -0.00 -0.53 -0.10 0.00 -1.18 0.00 0.00 59.36 57.56 2k9a h GLU 68 Cb 0.33 0.16 -0.02 0.00 -0.16 0.00 0.00 28.75 29.07 2k9a h GLU 68 CO 0.01 1.18 -0.08 -0.92 -1.18 0.00 0.00 179.01 178.03 2k9a h TYR 69 N 0.21 0.98 -0.09 0.92 3.20 -0.82 -0.13 116.97 121.24 2k9a h TYR 69 Ca -0.11 -0.18 -0.15 0.00 3.14 0.00 0.00 58.73 61.44 2k9a h TYR 69 Cb 1.72 -0.25 0.01 0.00 1.54 0.00 0.00 36.73 39.75 2k9a h TYR 69 CO 0.07 0.92 -0.51 0.82 -1.64 0.00 0.00 178.16 177.82 2k9a h ILE 70 N 0.81 1.38 -0.13 1.81 1.08 -1.53 0.77 117.51 121.70 2k9a h ILE 70 Ca 0.14 -1.86 -0.13 0.00 -0.39 0.00 0.00 64.86 62.62 2k9a h ILE 70 Cb 0.59 2.25 -0.01 0.00 -3.07 0.00 0.00 36.82 36.58 2k9a h ILE 70 CO 0.04 0.55 -0.48 0.28 -0.69 0.00 0.00 178.15 177.85 2k9a h SER 71 N 0.08 0.35 0.00 1.72 0.02 -1.40 -2.44 113.55 111.88 2k9a h SER 71 Ca -0.04 -0.17 0.00 0.00 -0.84 0.00 0.00 61.79 60.74 2k9a h SER 71 Cb 1.16 -0.10 0.00 0.00 0.14 0.00 0.00 62.40 63.61 2k9a h SER 71 CO 0.11 0.78 -0.42 0.25 -1.14 0.00 0.00 176.83 176.40 2k9a h LEU 72 N 0.26 0.00 0.41 5.07 7.12 -1.07 -3.36 115.31 123.73 2k9a h LEU 72 Ca 0.01 0.00 -0.02 0.00 0.13 0.00 0.00 57.88 58.00 2k9a h LEU 72 Cb 0.95 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 41.08 2k9a h LEU 72 CO 0.08 0.64 -0.20 0.58 -0.13 0.00 0.00 178.44 179.41 2k9a h VAL 73 N -0.86 0.00 -0.78 1.05 2.07 -1.02 -2.01 116.25 114.70 2k9a h VAL 73 Ca 0.00 -0.53 0.14 0.00 0.82 0.00 0.00 66.70 67.14 2k9a h VAL 73 Cb 0.42 0.00 -0.09 0.00 -1.52 0.00 0.00 31.29 30.10 2k9a h VAL 73 CO 0.00 0.00 0.35 -0.08 0.02 0.00 0.00 177.57 177.86 2k9a h GLU 74 N -1.07 0.48 -0.65 1.57 4.22 -1.27 0.37 114.58 118.23 2k9a h GLU 74 Ca -0.06 -0.03 -0.06 0.00 0.08 0.00 0.00 59.36 59.29 2k9a h GLU 74 Cb 0.42 -0.11 -0.03 0.00 0.50 0.00 0.00 28.75 29.53 2k9a h GLU 74 CO 0.09 0.32 0.16 -0.22 -2.18 0.00 0.00 179.01 177.18 2k9a h LYS 75 N 0.50 1.04 -0.30 1.92 3.11 -1.54 -2.74 116.57 118.55 2k9a h LYS 75 Ca 0.43 -0.25 0.06 0.00 -2.81 0.00 0.00 60.65 58.08 2k9a h LYS 75 Cb 0.64 -0.14 -0.05 0.00 -1.00 0.00 0.00 32.23 31.68 2k9a h LYS 75 CO -0.39 0.93 -0.04 -0.92 -2.81 0.00 0.00 179.45 176.22 2k9a h TYR 76 N 0.96 -0.09 -0.56 1.91 3.20 -0.16 -1.40 116.97 120.82 2k9a h TYR 76 Ca 0.20 0.02 0.04 0.00 3.14 0.00 0.00 58.73 62.14 2k9a h TYR 76 Cb 0.36 0.09 -0.04 0.00 1.54 0.00 0.00 36.73 38.67 2k9a h TYR 76 CO 0.03 -0.09 0.32 0.82 -1.64 0.00 0.00 178.16 177.59 2k9a h ILE 77 N 0.04 1.00 -0.92 1.81 2.04 -1.21 -2.03 117.51 118.25 2k9a h ILE 77 Ca 0.15 -0.21 0.04 0.00 1.00 0.00 0.00 64.86 65.83 2k9a h ILE 77 Cb 0.21 0.34 -0.05 0.00 -0.74 0.00 0.00 36.82 36.58 2k9a h ILE 77 CO -0.28 0.11 0.60 -0.08 0.00 0.00 0.00 178.15 178.50 2k9a h GLU 78 N 0.61 1.11 -0.34 2.37 4.81 -1.09 -2.49 114.58 119.57 2k9a h GLU 78 Ca 0.24 -0.07 -0.06 0.00 -0.13 0.00 0.00 59.36 59.35 2k9a h GLU 78 Cb 0.10 -0.25 -0.01 0.00 0.63 0.00 0.00 28.75 29.22 2k9a h GLU 78 CO -0.14 0.73 -0.02 0.93 -0.73 0.00 0.00 179.01 179.79 2k9a h GLU 79 N 1.14 0.61 -0.83 1.92 5.08 -0.61 -1.00 114.58 120.89 2k9a h GLU 79 Ca 0.37 -0.20 0.05 0.00 -1.00 0.00 0.00 59.36 58.57 2k9a h GLU 79 Cb 0.03 -0.05 -0.05 0.00 0.50 0.00 0.00 28.75 29.18 2k9a h GLU 79 CO -0.11 0.74 0.54 1.96 -1.00 0.00 0.00 179.01 181.14 2k9a h GLN 80 N 0.41 0.95 0.09 2.33 1.08 -0.97 -1.41 115.11 117.58 2k9a h GLN 80 Ca 0.09 -0.06 -0.24 0.00 -1.45 0.00 0.00 58.65 57.00 2k9a h GLN 80 Cb 0.48 -0.21 0.02 0.00 -0.05 0.00 0.00 27.48 27.72 2k9a h GLN 80 CO 0.02 0.63 -0.98 -0.07 -0.95 0.00 0.00 178.83 177.47 2k9a h LEU 81 N 0.98 0.71 -2.20 1.46 3.38 -1.34 -3.26 115.31 115.04 2k9a h LEU 81 Ca 0.34 -0.83 -0.01 0.00 0.09 0.00 0.00 57.88 57.47 2k9a h LEU 81 Cb 0.11 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 40.64 2k9a h LEU 81 CO -0.11 1.47 -0.06 -0.07 0.09 0.00 0.00 178.44 179.76 2k9a h LEU 82 N 0.05 0.00 -2.36 1.67 3.38 -0.84 -0.23 115.31 116.98 2k9a h LEU 82 Ca -0.15 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.82 2k9a h LEU 82 Cb 1.70 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.45 2k9a h LEU 82 CO 0.19 0.06 0.00 1.56 0.09 0.00 0.00 178.44 180.34 2k9a h GLN 83 N 0.00 0.00 0.00 1.13 4.20 -1.30 -3.01 115.11 116.13 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 0.22 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.00 2k9a h GLN 83 CO 0.01 0.00 -0.83 0.54 -0.67 0.00 0.00 178.83 177.88 2k9a n ARG 84 N -2.85 1.83 -3.72 1.46 1.74 -0.75 -4.94 116.66 109.42 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 0.10 -0.91 -0.13 0.00 -1.02 0.00 0.00 32.46 30.49 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 -1.72 1.33 -1.77 0.55 1.01 -0.17 -4.95 121.20 115.48 2k9a s ILE 85 Ca 0.00 -2.35 0.20 0.00 0.00 0.00 0.00 60.65 58.50 2k9a s ILE 85 Cb 0.00 -1.94 0.48 0.00 0.01 0.00 0.00 42.46 41.01 2k9a s ILE 85 CO 0.00 -0.85 1.60 -0.81 0.00 0.00 0.00 174.94 174.87 2k9a n PRO 86 N 3.78 0.49 -0.28 2.79 -0.04 -1.23 -2.21 135.00 138.30 2k9a n PRO 86 Ca 0.07 0.04 0.07 0.00 -0.04 0.00 0.00 63.50 63.64 2k9a n PRO 86 Cb 0.36 -1.50 0.19 0.00 -0.04 0.00 0.00 33.50 32.51 2k9a n PRO 86 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 2k9a n GLU 87 N -1.12 2.78 -2.90 0.54 0.28 -1.26 -5.02 120.64 113.95 2k9a n GLU 87 Ca 0.13 -2.41 -0.35 0.00 -0.16 0.00 0.00 57.16 54.37 2k9a n GLU 87 Cb 0.10 -1.53 -0.07 0.00 1.43 0.00 0.00 31.44 31.38 2k9a n GLU 87 CO 0.00 0.00 0.00 0.12 -0.16 0.00 0.00 177.13 177.09 2k9a s PHE 88 N -1.99 3.51 -0.32 -1.84 5.36 -0.94 -5.05 117.98 116.72 2k9a s PHE 88 Ca 0.31 1.58 0.02 0.00 -0.96 0.00 0.00 56.93 57.88 2k9a s PHE 88 Cb 0.22 -2.79 0.09 0.00 -0.34 0.00 0.00 43.02 40.20 2k9a s PHE 88 CO 0.10 0.11 0.04 -0.80 -1.46 0.00 0.00 175.22 173.21 2k9a s ASN 89 N -1.90 4.48 0.42 6.13 -0.87 -1.26 -4.97 114.94 116.97 2k9a s ASN 89 Ca 0.53 -1.88 0.12 0.00 -1.57 0.00 0.00 52.86 50.07 2k9a s ASN 89 Cb -0.14 -1.40 0.91 0.00 -0.02 0.00 0.00 41.25 40.60 2k9a s ASN 89 CO 0.19 -0.36 1.97 -0.03 -2.57 0.00 0.00 177.10 176.29 2k9a h MET 90 N 7.77 0.11 0.36 -0.60 4.05 -1.97 -0.48 114.93 124.17 2k9a h MET 90 Ca -0.09 -0.02 -0.02 0.00 -0.28 0.00 0.00 59.70 59.29 2k9a h MET 90 Cb 1.03 -0.02 0.00 0.00 -0.80 0.00 0.00 31.60 31.81 2k9a h MET 90 CO 0.49 0.26 -0.18 0.00 0.23 0.00 0.00 176.91 177.72 2k9a h ALA 91 N 1.75 -0.49 0.00 0.39 0.00 -2.00 -2.44 119.26 116.47 2k9a h ALA 91 Ca 0.02 -0.17 -0.03 0.00 0.00 0.00 0.00 54.91 54.73 2k9a h ALA 91 Cb 0.33 0.19 -0.00 0.00 0.00 0.00 0.00 17.79 18.30 2k9a h ALA 91 CO 0.02 -0.51 -0.16 0.00 0.00 0.00 0.00 179.25 178.60 2k9a h ALA 92 N -0.79 1.45 0.11 0.00 0.00 -1.98 -2.48 119.26 115.57 2k9a h ALA 92 Ca -0.05 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.71 2k9a h ALA 92 Cb 0.50 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.27 2k9a h ALA 92 CO 0.08 0.20 -0.05 0.35 0.00 0.00 0.00 179.25 179.83 2k9a h PHE 93 N 0.00 -0.13 -0.49 0.00 3.57 -1.12 -2.71 116.94 116.06 2k9a h PHE 93 Ca -0.00 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.50 2k9a h PHE 93 Cb 0.34 0.04 -0.02 0.00 2.79 0.00 0.00 35.95 39.11 2k9a h PHE 93 CO 0.00 0.32 0.32 1.79 -2.23 0.00 0.00 178.31 178.51 2k9a h THR 94 N -0.67 1.13 -0.20 4.41 1.35 -1.32 0.71 112.91 118.32 2k9a h THR 94 Ca -0.01 -0.24 0.03 0.00 -0.55 0.00 0.00 66.41 65.64 2k9a h THR 94 Cb 0.52 0.42 -0.03 0.00 -1.73 0.00 0.00 68.15 67.33 2k9a h THR 94 CO 0.02 0.13 -0.01 0.71 -0.25 0.00 0.00 175.52 176.12 2k9a h THR 95 N 0.66 0.85 0.00 6.82 1.35 -1.52 -1.89 112.91 119.17 2k9a h THR 95 Ca 0.18 -0.02 -0.10 0.00 -0.55 0.00 0.00 66.41 65.92 2k9a h THR 95 Cb -0.07 0.79 -0.01 0.00 -1.73 0.00 0.00 68.15 67.13 2k9a h THR 95 CO -0.04 0.01 -0.47 0.74 -0.25 0.00 0.00 175.52 175.51 2k9a h THR 96 N 0.05 1.29 -0.52 6.82 2.02 -1.30 -3.03 112.91 118.24 2k9a h THR 96 Ca 0.09 -1.63 -0.04 0.00 0.77 0.00 0.00 66.41 65.61 2k9a h THR 96 Cb 0.12 1.89 -0.02 0.00 -1.74 0.00 0.00 68.15 68.40 2k9a h THR 96 CO -0.17 0.46 0.14 0.25 0.37 0.00 0.00 175.52 176.57 2k9a h LEU 97 N 0.00 0.72 -0.82 2.58 6.46 -0.10 -0.49 115.31 123.66 2k9a h LEU 97 Ca -0.00 -0.12 0.18 0.00 -0.12 0.00 0.00 57.88 57.82 2k9a h LEU 97 Cb 0.85 -0.19 -0.11 0.00 -0.73 0.00 0.00 40.66 40.48 2k9a h LEU 97 CO 0.06 0.70 0.33 1.56 -0.62 0.00 0.00 178.44 180.47 2k9a h GLN 98 N 0.75 0.40 0.00 1.25 1.08 -1.26 -0.26 115.11 117.07 2k9a h GLN 98 Ca 0.17 -0.02 -0.29 0.00 -1.45 0.00 0.00 58.65 57.06 2k9a h GLN 98 Cb 0.25 -0.09 -0.05 0.00 -0.05 0.00 0.00 27.48 27.54 2k9a h GLN 98 CO -0.01 0.26 -1.86 -2.39 -0.95 0.00 0.00 178.83 173.88 2k9a n HIS 99 N -5.04 0.71 0.36 2.96 1.44 -1.14 -3.93 115.22 110.57 2k9a n HIS 99 Ca 0.18 0.25 0.04 0.00 -2.01 0.00 0.00 57.72 56.18 2k9a n HIS 99 Cb 0.53 -1.11 0.20 0.00 0.12 0.00 0.00 29.99 29.73 2k9a n HIS 99 CO 0.00 0.00 0.00 1.58 -2.81 0.00 0.00 176.34 175.11 2k9a n HIS 100 N -2.93 0.00 0.32 -1.40 -0.00 -0.21 -2.62 115.22 108.39 2k9a n HIS 100 Ca -0.20 0.00 0.16 0.00 -0.00 0.00 0.00 57.72 57.68 2k9a n HIS 100 Cb 1.04 -0.34 0.84 0.00 -0.00 0.00 0.00 29.99 31.53 2k9a n HIS 100 CO 0.00 0.00 0.00 0.87 -0.00 0.00 0.00 176.34 177.21 2k9a h LYS 101 N 0.00 0.00 0.00 1.57 1.57 -1.21 0.35 116.57 118.85 2k9a h LYS 101 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2k9a h LYS 101 Cb 0.09 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.40 2k9a h LYS 101 CO 0.00 0.00 0.00 -0.40 -0.57 0.00 0.00 179.45 178.48 2k9a n ASP 102 N -2.85 0.00 0.02 0.86 5.75 -1.08 -3.77 116.55 115.49 2k9a n ASP 102 Ca -0.02 0.18 0.00 0.00 -0.01 0.00 0.00 54.79 54.94 2k9a n ASP 102 Cb 0.33 -0.27 0.00 0.00 -1.03 0.00 0.00 41.12 40.15 2k9a n ASP 102 CO 0.00 0.00 0.00 1.21 -0.11 0.00 0.00 177.20 178.30 2k9a n GLU 103 N -1.27 0.00 -1.31 0.11 4.07 0.11 -5.07 120.64 117.27 2k9a n GLU 103 Ca 0.03 0.00 -0.35 0.00 -0.06 0.00 0.00 57.16 56.78 2k9a n GLU 103 Cb 0.05 -0.21 0.10 0.00 -0.06 0.00 0.00 31.44 31.32 2k9a n GLU 103 CO 0.00 0.00 0.00 1.55 -0.06 0.00 0.00 177.13 178.62 2k9a n VAL 104 N -2.94 2.81 -1.62 6.31 3.14 -1.20 -4.83 118.33 120.00 2k9a n VAL 104 Ca 0.00 -0.33 -0.43 0.00 -2.96 0.00 0.00 64.34 60.62 2k9a n VAL 104 Cb 0.00 -1.19 -0.03 0.00 -1.06 0.00 0.00 33.84 31.56 2k9a n VAL 104 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 2k9a s ALA 105 N -1.87 2.74 0.50 1.55 0.00 -1.26 -4.81 121.76 118.62 2k9a s ALA 105 Ca 0.74 0.78 0.16 0.00 0.00 0.00 0.00 51.96 53.64 2k9a s ALA 105 Cb -0.33 -4.07 1.23 0.00 0.00 0.00 0.00 23.12 19.95 2k9a s ALA 105 CO 0.49 -2.78 2.11 0.78 0.00 0.00 0.00 175.76 176.37 2k9a h GLY 106 N 15.00 0.09 1.05 0.00 0.00 -1.88 -1.96 103.07 115.37 2k9a h GLY 106 Ca -0.41 -0.03 -0.07 0.00 0.00 0.00 0.00 47.33 46.82 2k9a h GLY 106 CO 0.96 0.03 0.14 -1.80 0.00 0.00 0.00 176.54 175.88 2k9a h ASP 107 N 0.08 1.03 -0.02 0.19 3.58 -1.98 0.41 116.42 119.71 2k9a h ASP 107 Ca 0.06 -0.24 -0.01 0.00 0.42 0.00 0.00 57.03 57.26 2k9a h ASP 107 Cb 0.14 -0.27 -0.00 0.00 1.72 0.00 0.00 39.33 40.92 2k9a h ASP 107 CO -0.01 1.00 -0.03 0.40 -2.88 0.00 0.00 179.24 177.72 2k9a h ILE 108 N 1.00 1.43 0.00 2.25 2.04 -1.76 -3.18 117.51 119.28 2k9a h ILE 108 Ca 0.21 -1.32 -0.05 0.00 1.00 0.00 0.00 64.86 64.70 2k9a h ILE 108 Cb 0.39 2.28 -0.01 0.00 -0.74 0.00 0.00 36.82 38.74 2k9a h ILE 108 CO 0.01 0.35 -0.23 0.15 0.00 0.00 0.00 178.15 178.43 2k9a h PHE 109 N -0.47 0.00 -0.97 1.37 3.57 -1.43 -2.68 116.94 116.33 2k9a h PHE 109 Ca 0.00 0.00 0.28 0.00 3.53 0.00 0.00 57.97 61.78 2k9a h PHE 109 Cb 0.59 0.00 -0.04 0.00 2.79 0.00 0.00 35.95 39.29 2k9a h PHE 109 CO 0.12 0.23 0.79 0.22 -2.23 0.00 0.00 178.31 177.44 2k9a h ASP 110 N 0.00 0.00 0.08 0.41 3.58 -0.89 0.51 116.42 120.11 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 0.43 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.48 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 -0.10 0.00 0.28 4.05 -1.62 -3.18 114.93 114.35 2k9a h MET 111 Ca 0.46 0.01 -0.02 0.00 -0.28 0.00 0.00 59.70 59.87 2k9a h MET 111 Cb 2.04 0.02 -0.00 0.00 -0.80 0.00 0.00 31.60 32.86 2k9a h MET 111 CO -0.00 0.43 -0.09 -0.07 0.23 0.00 0.00 176.91 177.40 2k9a h LEU 112 N -0.73 0.00 -1.89 3.39 3.38 -0.77 -2.77 115.31 115.92 2k9a h LEU 112 Ca -0.01 0.00 0.20 0.00 0.09 0.00 0.00 57.88 58.15 2k9a h LEU 112 Cb 0.58 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.30 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 -0.14 0.82 115.31 123.51 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 0.40 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.43 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 -3.85 0.00 -0.01 1.05 -2.24 -1.05 -2.48 114.28 105.70 2k9a n THR 114 Ca 0.14 0.00 -0.01 0.00 -2.27 0.00 0.00 64.05 61.91 2k9a n THR 114 Cb 0.86 -0.59 0.27 0.00 -2.10 0.00 0.00 70.33 68.77 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 0.58 0.00 4.78 0.04 -1.10 -3.38 116.94 117.85 2k9a h PHE 115 Ca 0.00 -0.07 0.00 0.00 2.80 0.00 0.00 57.97 60.70 2k9a h PHE 115 Cb 0.00 -0.16 0.00 0.00 2.20 0.00 0.00 35.95 37.99 2k9a h PHE 115 CO 0.00 0.58 -0.06 -2.37 -0.60 0.00 0.00 178.31 175.86 2k9a n THR 116 N -4.25 0.00 -2.23 -1.55 5.66 -1.14 -5.00 114.28 105.77 2k9a n THR 116 Ca 0.01 0.00 -0.32 0.00 -3.05 0.00 0.00 64.05 60.70 2k9a n THR 116 Cb 0.27 -0.01 -0.04 0.00 -1.55 0.00 0.00 70.33 69.00 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 -0.52 5.64 0.25 1.09 1.11 -1.04 -4.80 116.67 118.40 2k9a s ASP 117 Ca 0.00 -0.98 -0.05 0.00 0.18 0.00 0.00 52.55 51.70 2k9a s ASP 117 Cb 0.00 -2.56 0.30 0.00 1.07 0.00 0.00 42.92 41.73 2k9a s ASP 117 CO 0.00 -2.30 1.91 0.15 1.18 0.00 0.00 175.17 176.12 2k9a h PHE 118 N 10.71 1.24 -0.90 4.23 3.57 -1.89 -1.50 116.94 132.40 2k9a h PHE 118 Ca 0.14 0.03 0.13 0.00 3.53 0.00 0.00 57.97 61.80 2k9a h PHE 118 Cb 1.00 -0.42 -0.07 0.00 2.79 0.00 0.00 35.95 39.26 2k9a h PHE 118 CO 1.24 0.74 0.58 -0.07 -2.23 0.00 0.00 178.31 178.57 2k9a h LEU 119 N 1.30 0.72 -0.24 0.59 3.38 -1.99 -0.28 115.31 118.80 2k9a h LEU 119 Ca 0.39 0.04 -0.20 0.00 0.09 0.00 0.00 57.88 58.20 2k9a h LEU 119 Cb -0.06 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 40.57 2k9a h LEU 119 CO -0.11 0.39 -0.91 0.00 0.09 0.00 0.00 178.44 177.90 2k9a h ALA 120 N 1.58 0.50 0.37 1.53 0.00 -1.70 -2.61 119.26 118.93 2k9a h ALA 120 Ca 0.44 -0.76 -0.02 0.00 0.00 0.00 0.00 54.91 54.57 2k9a h ALA 120 Cb 0.60 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.31 2k9a h ALA 120 CO -0.21 0.98 -0.18 0.35 0.00 0.00 0.00 179.25 180.20 2k9a h PHE 121 N 0.07 -0.46 0.01 0.00 3.57 -0.27 -0.39 116.94 119.47 2k9a h PHE 121 Ca -0.04 -0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.45 2k9a h PHE 121 Cb 1.56 0.15 0.00 0.00 2.79 0.00 0.00 35.95 40.45 2k9a h PHE 121 CO 0.02 -0.16 -0.00 -0.22 -2.23 0.00 0.00 178.31 175.72 2k9a h LYS 122 N -0.72 -0.01 -0.18 1.11 3.64 -1.35 -2.31 116.57 116.74 2k9a h LYS 122 Ca -0.05 0.00 0.05 0.00 -1.27 0.00 0.00 60.65 59.38 2k9a h LYS 122 Cb 0.50 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.31 2k9a h LYS 122 CO 0.08 0.10 0.14 1.49 -2.27 0.00 0.00 179.45 179.00 2k9a h GLU 123 N -0.13 0.00 -0.15 1.90 4.57 -1.50 -1.15 114.58 118.13 2k9a h GLU 123 Ca -0.00 0.00 -0.02 0.00 -1.18 0.00 0.00 59.36 58.16 2k9a h GLU 123 Cb 0.12 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 28.71 2k9a h GLU 123 CO 0.00 0.00 0.00 1.98 -1.18 0.00 0.00 179.01 179.81 2k9a h MET 124 N 0.00 0.26 -0.35 1.92 4.05 -0.50 -2.11 114.93 118.19 2k9a h MET 124 Ca 0.08 -0.08 -0.14 0.00 -0.28 0.00 0.00 59.70 59.29 2k9a h MET 124 Cb 0.37 -0.02 -0.01 0.00 -0.80 0.00 0.00 31.60 31.14 2k9a h MET 124 CO -0.00 0.48 -0.31 0.74 0.23 0.00 0.00 176.91 178.05 2k9a h PHE 125 N -0.00 0.99 -0.35 1.39 0.04 -1.10 -2.56 116.94 115.35 2k9a h PHE 125 Ca 0.04 -0.29 0.01 0.00 2.80 0.00 0.00 57.97 60.53 2k9a h PHE 125 Cb 0.37 -0.21 -0.02 0.00 2.20 0.00 0.00 35.95 38.29 2k9a h PHE 125 CO 0.03 1.08 0.24 -0.07 -0.60 0.00 0.00 178.31 178.99 2k9a h LEU 126 N 0.63 0.39 0.20 1.54 4.07 -1.24 -0.75 115.31 120.15 2k9a h LEU 126 Ca 0.06 -0.01 -0.01 0.00 0.08 0.00 0.00 57.88 58.00 2k9a h LEU 126 Cb 0.89 -0.10 0.00 0.00 1.08 0.00 0.00 40.66 42.54 2k9a h LEU 126 CO 0.08 0.28 -0.10 -0.78 -1.08 0.00 0.00 178.44 176.84 2k9a h ASP 127 N 0.46 -0.23 -0.69 -0.43 3.58 -1.24 -2.14 116.42 115.73 2k9a h ASP 127 Ca 0.13 -0.30 0.14 0.00 0.42 0.00 0.00 57.03 57.42 2k9a h ASP 127 Cb -0.02 0.06 -0.04 0.00 1.72 0.00 0.00 39.33 41.04 2k9a h ASP 127 CO -0.03 0.28 0.47 0.22 -2.88 0.00 0.00 179.24 177.30 2k9a h TYR 128 N -0.83 0.41 -0.15 0.28 3.20 -1.23 0.12 116.97 118.78 2k9a h TYR 128 Ca -0.03 0.01 -0.15 0.00 3.14 0.00 0.00 58.73 61.71 2k9a h TYR 128 Cb 0.52 -0.13 -0.01 0.00 1.54 0.00 0.00 36.73 38.65 2k9a h TYR 128 CO 0.07 0.17 -0.54 -0.09 -1.64 0.00 0.00 178.16 176.13 2k9a h ARG 129 N 0.36 0.42 -0.76 1.82 2.43 -1.12 -3.12 114.38 114.42 2k9a h ARG 129 Ca 0.33 -0.26 0.01 0.00 -0.81 0.00 0.00 59.98 59.25 2k9a h ARG 129 Cb 0.80 0.03 -0.04 0.00 -0.42 0.00 0.00 29.97 30.34 2k9a h ARG 129 CO -0.09 0.85 0.50 0.00 -1.51 0.00 0.00 179.97 179.72 2k9a h ALA 130 N 1.10 0.97 0.00 2.80 0.00 -0.06 -1.62 119.26 122.45 2k9a h ALA 130 Ca 0.01 -0.06 -0.03 0.00 0.00 0.00 0.00 54.91 54.84 2k9a h ALA 130 Cb 1.05 -0.31 -0.00 0.00 0.00 0.00 0.00 17.79 18.52 2k9a h ALA 130 CO 0.09 0.39 -0.12 0.93 0.00 0.00 0.00 179.25 180.54 2k9a h GLU 131 N 1.03 0.00 0.00 0.00 3.07 -1.42 -1.45 114.58 115.81 2k9a h GLU 131 Ca 0.28 0.00 -0.04 0.00 -0.50 0.00 0.00 59.36 59.10 2k9a h GLU 131 Cb -0.11 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 27.79 2k9a h GLU 131 CO -0.06 0.12 -0.18 0.87 -1.40 0.00 0.00 179.01 178.36 2k9a h LYS 132 N 0.00 0.00 0.00 2.33 1.79 -1.28 -1.85 116.57 117.56 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 0.24 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.89 2k9a h LYS 132 CO 0.02 0.18 0.00 0.39 -1.08 0.00 0.00 179.45 178.96 2k9a n GLU 133 N -3.52 0.35 0.11 3.15 -0.58 -0.55 -1.73 120.64 117.87 2k9a n GLU 133 Ca -0.01 0.03 -0.03 0.00 -0.42 0.00 0.00 57.16 56.73 2k9a n GLU 133 Cb 0.34 -1.50 0.15 0.00 -0.57 0.00 0.00 31.44 29.86 2k9a n GLU 133 CO 0.00 0.00 0.00 0.78 -0.48 0.00 0.00 177.13 177.43 2k9a h GLY 134 N 4.52 0.12 0.00 0.62 0.00 -1.40 -3.33 103.07 103.60 2k9a h GLY 134 Ca 0.00 -0.15 0.00 0.00 0.00 0.00 0.00 47.33 47.18 2k9a h GLY 134 CO 0.00 0.13 -0.53 0.54 0.00 0.00 0.00 176.54 176.68 2k9a n ARG 135 N -3.84 3.26 0.00 4.80 1.74 -1.21 -5.17 116.66 116.23 2k9a n ARG 135 Ca -0.02 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.06 2k9a n ARG 135 Cb 0.61 -0.76 0.00 0.00 -1.02 0.00 0.00 32.46 31.29 2k9a n ARG 135 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52