#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 4.92 -0.05 6.12 1.47 -1.26 -5.13 116.67 122.74 2k9a s ASP 2 Ca 0.00 -0.48 0.01 0.00 1.18 0.00 0.00 52.55 53.25 2k9a s ASP 2 Cb 0.00 -1.06 0.02 0.00 -0.34 0.00 0.00 42.92 41.54 2k9a s ASP 2 CO 0.00 -0.01 -0.04 0.00 0.68 0.00 0.00 175.17 175.80 2k9a s ALA 3 N -2.22 0.72 0.68 2.11 0.00 -1.26 -5.15 121.76 116.65 2k9a s ALA 3 Ca 0.32 -0.10 -0.11 0.00 0.00 0.00 0.00 51.96 52.07 2k9a s ALA 3 Cb -0.07 -0.50 -0.00 0.00 0.00 0.00 0.00 23.12 22.55 2k9a s ALA 3 CO 0.22 -0.10 1.06 -0.51 0.00 0.00 0.00 175.76 176.43 2k9a s LEU 4 N 1.12 3.05 0.68 0.00 1.43 -1.26 -5.08 118.68 118.62 2k9a s LEU 4 Ca -0.08 1.40 0.02 0.00 -1.03 0.00 0.00 54.13 54.45 2k9a s LEU 4 Cb -0.14 -4.29 0.12 0.00 0.03 0.00 0.00 46.19 41.91 2k9a s LEU 4 CO -0.01 -1.28 0.94 -1.83 0.23 0.00 0.00 176.35 174.40 2k9a s GLU 5 N -5.17 1.83 -0.23 1.70 -1.05 -1.26 -5.13 118.70 109.38 2k9a s GLU 5 Ca 0.57 -1.28 -0.19 0.00 -0.15 0.00 0.00 54.97 53.92 2k9a s GLU 5 Cb -0.12 -2.42 0.06 0.00 -0.44 0.00 0.00 34.13 31.21 2k9a s GLU 5 CO 0.54 -1.30 0.60 0.20 0.95 0.00 0.00 175.26 176.25 2k9a s GLY 6 N -4.73 -0.47 0.00 -3.83 0.00 -1.26 -5.02 107.32 92.01 2k9a s GLY 6 Ca 0.65 1.81 0.00 0.00 0.00 0.00 0.00 44.72 47.19 2k9a s GLY 6 CO 0.43 1.66 0.23 1.18 0.00 0.00 0.00 173.10 176.60 2k9a n GLU 7 N 3.20 -0.10 -0.07 2.90 1.02 -1.26 -5.14 120.64 121.19 2k9a n GLU 7 Ca -0.16 -0.23 0.01 0.00 -0.02 0.00 0.00 57.16 56.76 2k9a n GLU 7 Cb 0.56 -0.70 -0.00 0.00 -0.02 0.00 0.00 31.44 31.28 2k9a n GLU 7 CO 0.00 0.00 0.00 0.43 1.18 0.00 0.00 177.13 178.74 2k9a n SER 8 N -0.05 -5.12 -4.74 1.62 7.64 -1.26 -4.76 113.62 106.94 2k9a n SER 8 Ca 0.00 0.08 -0.32 0.00 1.01 0.00 0.00 58.87 59.64 2k9a n SER 8 Cb 0.11 -0.22 0.09 0.00 -1.01 0.00 0.00 64.21 63.18 2k9a n SER 8 CO 0.00 0.00 0.00 0.72 -3.01 0.00 0.00 175.04 172.75 2k9a s PHE 9 N -0.12 2.32 0.80 1.43 -0.12 -1.26 -5.04 117.98 115.98 2k9a s PHE 9 Ca 0.00 1.61 -0.05 0.00 -0.05 0.00 0.00 56.93 58.44 2k9a s PHE 9 Cb 0.00 -3.21 0.16 0.00 -0.63 0.00 0.00 43.02 39.34 2k9a s PHE 9 CO 0.00 -2.09 1.09 0.00 -0.05 0.00 0.00 175.22 174.17 2k9a s ALA 10 N -2.55 3.33 0.38 1.99 0.00 -1.26 -4.98 121.76 118.67 2k9a s ALA 10 Ca 0.66 -1.66 0.14 0.00 0.00 0.00 0.00 51.96 51.11 2k9a s ALA 10 Cb -0.21 -2.17 0.84 0.00 0.00 0.00 0.00 23.12 21.57 2k9a s ALA 10 CO 0.51 -1.77 1.88 -0.07 0.00 0.00 0.00 175.76 176.30 2k9a h LEU 11 N -0.86 0.00-10.29 0.00 3.38 -1.98 -3.43 115.31 102.12 2k9a h LEU 11 Ca -0.38 0.00 -0.49 0.00 0.09 0.00 0.00 57.88 57.10 2k9a h LEU 11 Cb 1.25 0.00 0.03 0.00 0.09 0.00 0.00 40.66 42.04 2k9a h LEU 11 CO 0.38 0.31 0.12 -0.55 0.09 0.00 0.00 178.44 178.79 2k9a s SER 12 N -6.87 6.27 -0.14 -0.43 0.15 -1.26 -5.09 113.70 106.33 2k9a s SER 12 Ca -0.03 0.96 -0.00 0.00 0.70 0.00 0.00 55.95 57.58 2k9a s SER 12 Cb 0.14 -2.26 0.03 0.00 -1.71 0.00 0.00 66.02 62.22 2k9a s SER 12 CO 0.71 -0.58 -0.09 0.12 1.20 0.00 0.00 173.24 174.59 2k9a s PHE 13 N -2.74 1.79 0.07 3.44 5.36 -1.26 -4.96 117.98 119.67 2k9a s PHE 13 Ca 0.48 -1.01 0.00 0.00 -0.96 0.00 0.00 56.93 55.44 2k9a s PHE 13 Cb -0.10 -1.38 0.00 0.00 -0.34 0.00 0.00 43.02 41.20 2k9a s PHE 13 CO 0.45 -0.60 0.00 0.45 -1.46 0.00 0.00 175.22 174.06 2k9a n SER 14 N 4.86 0.06 0.00 6.13 2.88 -1.26 -5.02 113.62 121.27 2k9a n SER 14 Ca -0.14 0.12 0.00 0.00 -1.33 0.00 0.00 58.87 57.52 2k9a n SER 14 Cb 0.49 0.06 0.00 0.00 -0.75 0.00 0.00 64.21 64.01 2k9a n SER 14 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 2k9a n SER 15 N -2.90 0.00 -0.10 -3.46 7.64 -1.26 -4.52 113.62 109.02 2k9a n SER 15 Ca 0.00 0.00 0.14 0.00 1.01 0.00 0.00 58.87 60.02 2k9a n SER 15 Cb 0.10 0.00 0.66 0.00 -1.01 0.00 0.00 64.21 63.96 2k9a n SER 15 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2k9a n ALA 16 N 0.00 2.71 -1.28 -0.43 0.00 -1.26 -0.26 120.51 119.99 2k9a n ALA 16 Ca 0.00 -0.25 0.08 0.00 0.00 0.00 0.00 53.44 53.28 2k9a n ALA 16 Cb 0.00 -1.37 0.16 0.00 0.00 0.00 0.00 19.45 18.24 2k9a n ALA 16 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 2k9a n SER 17 N -0.98 2.07 -0.87 0.00 7.64 -1.26 -4.81 113.62 115.41 2k9a n SER 17 Ca 0.15 -3.30 0.00 0.00 1.01 0.00 0.00 58.87 56.73 2k9a n SER 17 Cb 0.26 -0.45 0.00 0.00 -1.01 0.00 0.00 64.21 63.01 2k9a n SER 17 CO 0.00 0.00 0.00 -0.90 -3.01 0.00 0.00 175.04 171.13 2k9a n ASP 18 N -1.27 0.00 0.24 6.43 5.75 -1.23 -5.02 116.55 121.45 2k9a n ASP 18 Ca 0.16 -0.87 0.18 0.00 -0.01 0.00 0.00 54.79 54.25 2k9a n ASP 18 Cb 0.66 0.00 0.88 0.00 -1.03 0.00 0.00 41.12 41.63 2k9a n ASP 18 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2k9a h ALA 19 N 1.42 1.64 -0.39 2.12 0.00 -1.97 -2.15 119.26 119.93 2k9a h ALA 19 Ca 0.00 -0.00 0.04 0.00 0.00 0.00 0.00 54.91 54.94 2k9a h ALA 19 Cb 0.00 0.01 -0.04 0.00 0.00 0.00 0.00 17.79 17.76 2k9a h ALA 19 CO 0.00 -0.28 0.17 1.49 0.00 0.00 0.00 179.25 180.63 2k9a h GLU 20 N 0.00 0.34 -0.51 0.00 4.57 -1.96 -0.87 114.58 116.14 2k9a h GLU 20 Ca 0.07 -0.02 -0.00 0.00 -1.18 0.00 0.00 59.36 58.23 2k9a h GLU 20 Cb 0.47 -0.08 -0.02 0.00 -0.16 0.00 0.00 28.75 28.96 2k9a h GLU 20 CO -0.00 0.22 0.32 0.35 -1.18 0.00 0.00 179.01 178.72 2k9a h PHE 21 N 0.35 0.67 -0.67 0.92 3.04 0.07 -2.20 116.94 119.13 2k9a h PHE 21 Ca 0.17 0.00 0.02 0.00 3.98 0.00 0.00 57.97 62.14 2k9a h PHE 21 Cb 0.12 -0.22 -0.03 0.00 2.56 0.00 0.00 35.95 38.37 2k9a h PHE 21 CO -0.12 0.45 0.44 0.22 -2.02 0.00 0.00 178.31 177.28 2k9a h ASP 22 N 0.69 0.74 -0.36 0.41 3.58 -1.49 -2.28 116.42 117.71 2k9a h ASP 22 Ca 0.19 -0.02 -0.01 0.00 0.42 0.00 0.00 57.03 57.61 2k9a h ASP 22 Cb -0.03 -0.18 -0.02 0.00 1.72 0.00 0.00 39.33 40.82 2k9a h ASP 22 CO -0.04 0.53 0.19 0.00 -2.88 0.00 0.00 179.24 177.04 2k9a h ALA 23 N 1.59 0.46 -0.47 -0.78 0.00 -0.56 -2.37 119.26 117.14 2k9a h ALA 23 Ca 0.25 -0.08 0.02 0.00 0.00 0.00 0.00 54.91 55.10 2k9a h ALA 23 Cb -0.04 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.57 2k9a h ALA 23 CO -0.06 0.00 0.28 0.28 0.00 0.00 0.00 179.25 179.75 2k9a h VAL 24 N 0.45 1.05 -0.74 0.00 2.07 -1.05 -1.87 116.25 116.16 2k9a h VAL 24 Ca 0.13 -0.19 0.07 0.00 0.82 0.00 0.00 66.70 67.52 2k9a h VAL 24 Cb 0.08 0.44 -0.05 0.00 -1.52 0.00 0.00 31.29 30.24 2k9a h VAL 24 CO -0.02 0.10 0.49 0.58 0.02 0.00 0.00 177.57 178.74 2k9a h VAL 25 N 0.56 1.01 0.07 2.57 2.07 -1.23 -2.28 116.25 119.03 2k9a h VAL 25 Ca 0.19 -0.26 -0.00 0.00 0.82 0.00 0.00 66.70 67.45 2k9a h VAL 25 Cb 0.02 0.18 0.00 0.00 -1.52 0.00 0.00 31.29 29.97 2k9a h VAL 25 CO -0.09 0.14 -0.04 1.23 0.02 0.00 0.00 177.57 178.84 2k9a h GLY 26 N 0.76 -0.10 1.21 2.17 0.00 -0.82 -2.25 103.07 104.03 2k9a h GLY 26 Ca 0.33 0.04 0.08 0.00 0.00 0.00 0.00 47.33 47.78 2k9a h GLY 26 CO -0.11 -0.04 0.34 -0.97 0.00 0.00 0.00 176.54 175.76 2k9a h TYR 27 N -0.22 0.34 -0.12 5.60 0.05 -1.10 -1.94 116.97 119.58 2k9a h TYR 27 Ca -0.01 0.01 -0.02 0.00 0.05 0.00 0.00 58.73 58.76 2k9a h TYR 27 Cb 0.19 -0.11 -0.00 0.00 1.01 0.00 0.00 36.73 37.81 2k9a h TYR 27 CO -0.03 0.17 0.01 -0.07 -1.05 0.00 0.00 178.16 177.19 2k9a h LEU 28 N 0.33 0.20 -0.80 3.88 3.38 -1.04 -3.00 115.31 118.26 2k9a h LEU 28 Ca 0.23 -0.28 0.09 0.00 0.09 0.00 0.00 57.88 58.01 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 0.43 0.45 -0.33 0.09 0.00 0.00 178.44 179.02 2k9a h GLU 29 N -0.03 0.74 -0.73 1.13 5.08 -0.78 -0.39 114.58 119.59 2k9a h GLU 29 Ca 0.04 -0.04 0.06 0.00 -1.00 0.00 0.00 59.36 58.41 2k9a h GLU 29 Cb 0.32 -0.17 -0.04 0.00 0.50 0.00 0.00 28.75 29.36 2k9a h GLU 29 CO 0.00 0.49 0.48 -0.44 -1.00 0.00 0.00 179.01 178.54 2k9a h ASP 30 N 0.76 0.68 -0.04 1.42 3.32 -1.39 -1.98 116.42 119.19 2k9a h ASP 30 Ca 0.39 0.00 -0.20 0.00 0.02 0.00 0.00 57.03 57.24 2k9a h ASP 30 Cb 0.36 -0.15 0.01 0.00 0.22 0.00 0.00 39.33 39.78 2k9a h ASP 30 CO -0.25 0.45 -0.74 0.40 -1.72 0.00 0.00 179.24 177.38 2k9a h ILE 31 N 0.78 1.35 -0.10 0.35 2.04 -1.00 -1.46 117.51 119.46 2k9a h ILE 31 Ca 0.31 -2.07 0.03 0.00 1.00 0.00 0.00 64.86 64.13 2k9a h ILE 31 Cb 0.22 2.37 -0.00 0.00 -0.74 0.00 0.00 36.82 38.67 2k9a h ILE 31 CO -0.10 0.62 0.08 0.40 0.00 0.00 0.00 178.15 179.16 2k9a h ILE 32 N 0.18 0.79 0.00 -0.67 2.04 -0.59 -1.21 117.51 118.05 2k9a h ILE 32 Ca -0.08 0.00 -0.06 0.00 1.00 0.00 0.00 64.86 65.72 2k9a h ILE 32 Cb 1.41 0.94 -0.01 0.00 -0.74 0.00 0.00 36.82 38.42 2k9a h ILE 32 CO 0.15 0.00 -1.53 0.80 0.00 0.00 0.00 178.15 177.57 2k9a n MET 33 N -4.27 0.63 -1.61 2.37 0.00 -0.79 -4.75 117.12 108.69 2k9a n MET 33 Ca -0.01 0.02 -0.49 0.00 0.00 0.00 0.00 57.70 57.22 2k9a n MET 33 Cb 0.20 -1.69 -0.05 0.00 0.00 0.00 0.00 33.22 31.68 2k9a n MET 33 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 175.97 172.50 2k9a n ASP 34 N -2.57 2.02 -0.13 6.12 2.03 -0.46 -4.87 116.55 118.69 2k9a n ASP 34 Ca -0.05 1.12 -0.08 0.00 0.52 0.00 0.00 54.79 56.29 2k9a n ASP 34 Cb 0.65 -1.28 -0.00 0.00 -0.72 0.00 0.00 41.12 39.77 2k9a n ASP 34 CO 0.00 0.00 0.00 -2.24 -1.92 0.00 0.00 177.20 173.04 2k9a h ASP 35 N 4.46 0.47 -0.01 1.67 2.03 -1.90 -1.76 116.42 121.38 2k9a h ASP 35 Ca -0.46 -0.05 0.00 0.00 -0.73 0.00 0.00 57.03 55.80 2k9a h ASP 35 Cb 1.31 -0.12 -0.00 0.00 -0.83 0.00 0.00 39.33 39.69 2k9a h ASP 35 CO 0.78 0.38 0.01 -0.08 -1.03 0.00 0.00 179.24 179.30 2k9a h GLU 36 N 0.52 0.00 0.01 4.15 4.81 -1.93 -2.02 114.58 120.11 2k9a h GLU 36 Ca 0.14 0.00 -0.04 0.00 -0.13 0.00 0.00 59.36 59.34 2k9a h GLU 36 Cb -0.01 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.37 2k9a h GLU 36 CO -0.03 0.00 -0.15 0.35 -0.73 0.00 0.00 179.01 178.46 2k9a h PHE 37 N 0.00 0.14 -0.59 0.92 3.57 -1.59 -2.52 116.94 116.86 2k9a h PHE 37 Ca 0.00 -0.08 0.04 0.00 3.53 0.00 0.00 57.97 61.47 2k9a h PHE 37 Cb 0.03 -0.01 -0.03 0.00 2.79 0.00 0.00 35.95 38.73 2k9a h PHE 37 CO 0.00 0.91 0.39 1.96 -2.23 0.00 0.00 178.31 179.34 2k9a h GLN 38 N -0.68 0.63 -0.28 1.11 4.20 -0.97 -1.03 115.11 118.09 2k9a h GLN 38 Ca -0.02 -0.04 -0.10 0.00 0.06 0.00 0.00 58.65 58.55 2k9a h GLN 38 Cb 0.95 -0.14 -0.01 0.00 0.30 0.00 0.00 27.48 28.59 2k9a h GLN 38 CO 0.03 0.42 -0.21 1.25 -0.67 0.00 0.00 178.83 179.64 2k9a h LEU 39 N 0.65 0.67 0.22 1.46 7.12 -1.44 -2.25 115.31 121.73 2k9a h LEU 39 Ca 0.24 -0.45 -0.01 0.00 0.13 0.00 0.00 57.88 57.80 2k9a h LEU 39 Cb 0.16 -0.19 0.00 0.00 -0.53 0.00 0.00 40.66 40.10 2k9a h LEU 39 CO -0.07 0.97 -0.10 0.25 -0.13 0.00 0.00 178.44 179.36 2k9a h LEU 40 N 0.36 -0.25 0.23 2.25 6.46 -0.88 0.56 115.31 124.05 2k9a h LEU 40 Ca 0.05 -0.04 -0.01 0.00 -0.12 0.00 0.00 57.88 57.76 2k9a h LEU 40 Cb 0.76 0.06 0.00 0.00 -0.73 0.00 0.00 40.66 40.75 2k9a h LEU 40 CO 0.06 -0.12 -0.12 -0.61 -0.62 0.00 0.00 178.44 177.03 2k9a h GLN 41 N -0.36 -0.31 -0.65 1.25 5.75 -1.28 -2.28 115.11 117.24 2k9a h GLN 41 Ca -0.03 0.02 -0.06 0.00 -0.15 0.00 0.00 58.65 58.43 2k9a h GLN 41 Cb 0.27 0.07 -0.03 0.00 1.07 0.00 0.00 27.48 28.87 2k9a h GLN 41 CO 0.05 -0.21 0.18 -0.09 -2.65 0.00 0.00 178.83 176.11 2k9a h ARG 42 N -0.32 1.02 -0.24 1.69 9.65 -1.42 0.07 114.38 124.82 2k9a h ARG 42 Ca -0.03 -0.23 0.02 0.00 -1.10 0.00 0.00 59.98 58.64 2k9a h ARG 42 Cb 0.26 -0.14 -0.02 0.00 -1.39 0.00 0.00 29.97 28.67 2k9a h ARG 42 CO 0.04 0.90 0.11 -0.97 2.80 0.00 0.00 179.97 182.86 2k9a h ASN 43 N 0.94 0.16 -0.05 -3.80 -0.73 -0.78 -0.89 115.58 110.42 2k9a h ASN 43 Ca 0.21 0.01 -0.23 0.00 1.87 0.00 0.00 56.30 58.16 2k9a h ASN 43 Cb 0.32 -0.02 0.02 0.00 0.27 0.00 0.00 38.32 38.91 2k9a h ASN 43 CO -0.00 0.13 -0.85 -0.26 -0.37 0.00 0.00 177.43 176.07 2k9a h PHE 44 N 0.24 0.96 0.00 0.67 -1.00 -1.35 -3.15 116.94 113.31 2k9a h PHE 44 Ca 0.10 -0.49 -0.01 0.00 2.81 0.00 0.00 57.97 60.38 2k9a h PHE 44 Cb 0.03 -0.12 -0.00 0.00 3.61 0.00 0.00 35.95 39.47 2k9a h PHE 44 CO -0.10 1.31 -0.05 0.00 -1.61 0.00 0.00 178.31 177.86 2k9a h MET 45 N 0.34 0.00 -0.15 1.51 -0.00 -0.87 -1.31 114.93 114.45 2k9a h MET 45 Ca -0.09 0.00 0.02 0.00 -0.00 0.00 0.00 59.70 59.63 2k9a h MET 45 Cb 1.51 0.00 -0.01 0.00 -0.00 0.00 0.00 31.60 33.10 2k9a h MET 45 CO 0.17 0.05 0.11 0.22 -0.00 0.00 0.00 176.91 177.46 2k9a h ASP 46 N 0.00 0.11 0.03 -0.10 3.58 -1.12 -1.10 116.42 117.82 2k9a h ASP 46 Ca -0.00 -0.00 -0.39 0.00 0.42 0.00 0.00 57.03 57.06 2k9a h ASP 46 Cb 0.15 -0.03 -0.06 0.00 1.72 0.00 0.00 39.33 41.12 2k9a h ASP 46 CO 0.01 0.07 -2.34 0.29 -2.88 0.00 0.00 179.24 174.39 2k9a n LYS 47 N -4.51 0.67 -0.03 0.28 4.76 -0.58 -4.31 118.16 114.45 2k9a n LYS 47 Ca -0.00 0.19 -0.09 0.00 -2.87 0.00 0.00 58.31 55.54 2k9a n LYS 47 Cb 0.14 -1.57 -0.03 0.00 -1.84 0.00 0.00 35.03 31.73 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 -0.06 -0.08 0.00 2.13 -1.99 -1.18 -0.99 116.97 114.81 2k9a h TYR 48 Ca -0.54 0.01 0.00 0.00 2.00 0.00 0.00 58.73 60.20 2k9a h TYR 48 Cb 1.91 0.06 0.00 0.00 2.00 0.00 0.00 36.73 40.70 2k9a h TYR 48 CO 0.04 -0.07 0.00 0.10 -0.00 0.00 0.00 178.16 178.23 2k9a h TYR 49 N 0.01 0.00 0.17 4.88 -0.00 -1.43 -0.72 116.97 119.88 2k9a h TYR 49 Ca 0.08 0.00 -0.23 0.00 -0.00 0.00 0.00 58.73 58.58 2k9a h TYR 49 Cb 0.12 0.00 0.02 0.00 -0.00 0.00 0.00 36.73 36.87 2k9a h TYR 49 CO -0.19 0.00 -1.03 -0.07 -0.00 0.00 0.00 178.16 176.87 2k9a h LEU 50 N 0.00 0.56 -0.45 0.10 3.38 -1.38 -3.34 115.31 114.18 2k9a h LEU 50 Ca 0.00 -0.94 -0.17 0.00 0.09 0.00 0.00 57.88 56.86 2k9a h LEU 50 Cb 0.03 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 40.60 2k9a h LEU 50 CO 0.00 1.49 -0.64 -0.33 0.09 0.00 0.00 178.44 179.06 2k9a h GLU 51 N -0.24 0.51 -5.97 1.13 5.08 -0.95 -3.38 114.58 110.76 2k9a h GLU 51 Ca -0.18 -0.36 -0.57 0.00 -1.00 0.00 0.00 59.36 57.24 2k9a h GLU 51 Cb 1.79 0.06 -0.09 0.00 0.50 0.00 0.00 28.75 31.01 2k9a h GLU 51 CO 0.18 0.98 1.58 -0.06 -1.00 0.00 0.00 179.01 180.68 2k9a s PHE 52 N -3.83 2.49 0.18 4.33 0.40 -0.36 -4.96 117.98 116.22 2k9a s PHE 52 Ca -0.07 -0.81 0.05 0.00 -0.60 0.00 0.00 56.93 55.50 2k9a s PHE 52 Cb 0.11 -4.61 -0.04 0.00 0.51 0.00 0.00 43.02 38.99 2k9a s PHE 52 CO 0.84 -1.85 0.13 -1.21 0.70 0.00 0.00 175.22 173.84 2k9a s GLU 53 N 5.09 2.86 -0.78 0.44 2.02 -1.26 -4.74 118.70 122.32 2k9a s GLU 53 Ca 0.52 -0.91 -0.24 0.00 0.02 0.00 0.00 54.97 54.36 2k9a s GLU 53 Cb 0.00 -2.61 0.06 0.00 0.10 0.00 0.00 34.13 31.68 2k9a s GLU 53 CO -0.03 0.47 1.17 0.34 0.02 0.00 0.00 175.26 177.23 2k9a s ASP 54 N -3.18 6.28 0.38 -0.19 2.15 -1.26 -4.97 116.67 115.87 2k9a s ASP 54 Ca 0.31 -1.02 0.04 0.00 0.43 0.00 0.00 52.55 52.31 2k9a s ASP 54 Cb -0.10 -2.49 -0.03 0.00 -0.30 0.00 0.00 42.92 40.01 2k9a s ASP 54 CO 0.23 -1.54 0.15 0.42 -0.17 0.00 0.00 175.17 174.27 2k9a s THR 55 N 4.59 0.50 -1.22 1.71 -4.23 -1.26 -5.06 115.64 110.68 2k9a s THR 55 Ca 0.32 -2.00 0.15 0.00 -1.18 0.00 0.00 61.69 58.97 2k9a s THR 55 Cb -0.10 -2.42 -0.04 0.00 1.34 0.00 0.00 72.50 71.29 2k9a s THR 55 CO 0.06 0.00 0.77 -0.62 -0.54 0.00 0.00 174.62 174.29 2k9a n GLU 56 N -0.80 1.88 -3.16 3.99 1.02 -1.26 -4.97 120.64 117.34 2k9a n GLU 56 Ca -0.03 -0.61 -0.39 0.00 -0.02 0.00 0.00 57.16 56.12 2k9a n GLU 56 Cb 0.65 -1.22 -0.06 0.00 -0.02 0.00 0.00 31.44 30.79 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 -1.90 4.35 -0.27 3.49 2.12 -1.26 -5.04 118.70 120.18 2k9a s GLU 57 Ca 0.11 0.88 -0.22 0.00 0.36 0.00 0.00 54.97 56.10 2k9a s GLU 57 Cb 0.12 -3.27 -0.01 0.00 0.26 0.00 0.00 34.13 31.22 2k9a s GLU 57 CO 0.42 0.54 0.71 1.21 -0.54 0.00 0.00 175.26 177.60 2k9a s ASN 58 N -0.86 6.64 -0.09 -1.70 3.04 -1.26 -5.05 114.94 115.66 2k9a s ASN 58 Ca 0.32 0.72 0.02 0.00 0.04 0.00 0.00 52.86 53.96 2k9a s ASN 58 Cb -0.20 -2.37 -0.02 0.00 -1.54 0.00 0.00 41.25 37.11 2k9a s ASN 58 CO 0.21 -0.48 -0.15 -0.54 -3.04 0.00 0.00 177.10 173.10 2k9a s LYS 59 N 2.70 2.93 0.00 0.43 1.02 -1.26 -5.00 119.74 120.56 2k9a s LYS 59 Ca 0.29 -0.72 0.29 0.00 0.02 0.00 0.00 55.97 55.86 2k9a s LYS 59 Cb -0.15 -2.47 1.31 0.00 -0.52 0.00 0.00 37.83 36.00 2k9a s LYS 59 CO 0.10 0.40 1.96 1.28 -0.92 0.00 0.00 175.35 178.16 2k9a n LEU 60 N 2.97 0.01 0.17 3.17 4.32 -1.26 -3.53 117.00 122.84 2k9a n LEU 60 Ca -0.18 0.42 0.12 0.00 -0.02 0.00 0.00 56.01 56.36 2k9a n LEU 60 Cb 0.52 -0.43 0.61 0.00 -1.62 0.00 0.00 43.42 42.50 2k9a n LEU 60 CO 0.28 0.00 0.85 -0.29 -1.22 0.00 0.00 177.39 177.02 2k9a h ILE 61 N 0.01 0.00 0.00 -0.08 6.09 -2.02 -1.39 117.51 120.12 2k9a h ILE 61 Ca 0.00 -0.04 -0.03 0.00 -1.37 0.00 0.00 64.86 63.42 2k9a h ILE 61 Cb 0.44 0.58 -0.00 0.00 0.47 0.00 0.00 36.82 38.30 2k9a h ILE 61 CO 0.00 0.00 -0.16 1.88 -3.07 0.00 0.00 178.15 176.80 2k9a h TYR 62 N 0.00 0.00 0.08 2.19 0.05 -2.00 -2.87 116.97 114.42 2k9a h TYR 62 Ca 0.00 0.00 -0.00 0.00 0.05 0.00 0.00 58.73 58.78 2k9a h TYR 62 Cb 0.05 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.79 2k9a h TYR 62 CO 0.00 0.16 -0.04 1.15 -1.05 0.00 0.00 178.16 178.38 2k9a h THR 63 N 0.00 1.14 -0.28 -2.88 2.02 -1.54 -2.52 112.91 108.85 2k9a h THR 63 Ca -0.00 -1.40 -0.01 0.00 0.77 0.00 0.00 66.41 65.77 2k9a h THR 63 Cb 0.63 1.96 -0.01 0.00 -1.74 0.00 0.00 68.15 68.99 2k9a h THR 63 CO 0.02 0.31 0.15 -0.65 0.37 0.00 0.00 175.52 175.73 2k9a h PRO 64 N -0.82 0.39 -0.41 6.66 0.11 -1.71 -2.32 132.00 133.90 2k9a h PRO 64 Ca -0.01 -0.04 0.02 0.00 0.11 0.00 0.00 66.00 66.07 2k9a h PRO 64 Cb 0.60 -0.08 -0.03 0.00 0.11 0.00 0.00 31.00 31.61 2k9a h PRO 64 CO 0.02 0.34 0.24 0.82 -0.21 0.00 0.00 178.00 179.21 2k9a h ILE 65 N 0.33 1.04 -0.75 4.15 2.04 -1.64 -2.40 117.51 120.30 2k9a h ILE 65 Ca 0.10 -0.17 0.05 0.00 1.00 0.00 0.00 64.86 65.84 2k9a h ILE 65 Cb 0.06 0.51 -0.05 0.00 -0.74 0.00 0.00 36.82 36.60 2k9a h ILE 65 CO -0.02 0.09 0.45 0.15 0.00 0.00 0.00 178.15 178.82 2k9a h PHE 66 N 0.49 0.83 -0.73 1.37 3.57 -1.32 -1.50 116.94 119.66 2k9a h PHE 66 Ca 0.16 0.03 0.01 0.00 3.53 0.00 0.00 57.97 61.69 2k9a h PHE 66 Cb 0.01 -0.27 -0.04 0.00 2.79 0.00 0.00 35.95 38.44 2k9a h PHE 66 CO -0.07 0.43 0.48 -0.91 -2.23 0.00 0.00 178.31 176.01 2k9a h ASN 67 N 0.84 0.84 -0.74 0.41 2.35 -1.00 -1.93 115.58 116.35 2k9a h ASN 67 Ca 0.32 -0.02 -0.04 0.00 -0.55 0.00 0.00 56.30 56.00 2k9a h ASN 67 Cb 0.13 -0.21 -0.03 0.00 0.05 0.00 0.00 38.32 38.26 2k9a h ASN 67 CO -0.16 0.61 0.30 -0.08 -1.65 0.00 0.00 177.43 176.45 2k9a h GLU 68 N 0.99 1.12 -0.34 0.81 4.81 -0.80 -1.42 114.58 119.75 2k9a h GLU 68 Ca 0.27 -0.20 -0.11 0.00 -0.13 0.00 0.00 59.36 59.19 2k9a h GLU 68 Cb -0.11 -0.18 -0.01 0.00 0.63 0.00 0.00 28.75 29.07 2k9a h GLU 68 CO -0.06 0.91 -0.23 -0.92 -0.73 0.00 0.00 179.01 177.99 2k9a h TYR 69 N 1.10 0.74 -0.01 0.92 3.20 -0.93 0.68 116.97 122.66 2k9a h TYR 69 Ca 0.25 -0.16 -0.15 0.00 3.14 0.00 0.00 58.73 61.81 2k9a h TYR 69 Cb 0.21 -0.18 -0.02 0.00 1.54 0.00 0.00 36.73 38.28 2k9a h TYR 69 CO 0.02 0.83 -0.69 0.82 -1.64 0.00 0.00 178.16 177.49 2k9a h ILE 70 N 0.58 1.47 0.00 1.81 1.08 -1.06 -0.11 117.51 121.28 2k9a h ILE 70 Ca 0.08 -2.32 -0.15 0.00 -0.39 0.00 0.00 64.86 62.08 2k9a h ILE 70 Cb 0.70 2.25 -0.03 0.00 -3.07 0.00 0.00 36.82 36.67 2k9a h ILE 70 CO 0.05 0.67 -1.12 -1.28 -0.69 0.00 0.00 178.15 175.78 2k9a h SER 71 N 0.04 0.00 0.00 1.72 0.87 -1.10 -1.93 113.55 113.16 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 0.10 0.58 -0.33 -0.11 -0.53 0.00 0.00 176.83 176.54 2k9a n LEU 72 N -3.02 1.06 0.09 2.23 -0.00 0.22 -4.19 117.00 113.39 2k9a n LEU 72 Ca -0.06 0.44 -0.05 0.00 -0.00 0.00 0.00 56.01 56.35 2k9a n LEU 72 Cb 0.82 -0.71 -0.02 0.00 -0.00 0.00 0.00 43.42 43.51 2k9a n LEU 72 CO 0.42 -0.47 0.15 0.58 -0.00 0.00 0.00 177.39 178.07 2k9a h VAL 73 N -0.58 0.00 -0.85 1.96 2.07 -1.22 -2.32 116.25 115.31 2k9a h VAL 73 Ca 0.00 -0.57 0.12 0.00 0.82 0.00 0.00 66.70 67.07 2k9a h VAL 73 Cb 0.33 0.00 -0.08 0.00 -1.52 0.00 0.00 31.29 30.02 2k9a h VAL 73 CO 0.00 0.00 0.47 -0.08 0.02 0.00 0.00 177.57 177.98 2k9a h GLU 74 N -0.88 0.72 -0.41 1.57 4.81 -1.53 -0.38 114.58 118.48 2k9a h GLU 74 Ca -0.03 -0.04 -0.10 0.00 -0.13 0.00 0.00 59.36 59.06 2k9a h GLU 74 Cb 0.24 -0.16 -0.02 0.00 0.63 0.00 0.00 28.75 29.44 2k9a h GLU 74 CO 0.05 0.48 -0.14 -0.22 -0.73 0.00 0.00 179.01 178.45 2k9a h LYS 75 N 0.74 0.74 -0.73 1.92 3.64 -1.48 -2.67 116.57 118.74 2k9a h LYS 75 Ca 0.43 -0.25 0.05 0.00 -1.27 0.00 0.00 60.65 59.61 2k9a h LYS 75 Cb 0.48 -0.06 -0.05 0.00 -0.41 0.00 0.00 32.23 32.19 2k9a h LYS 75 CO -0.29 0.84 0.43 -0.92 -2.27 0.00 0.00 179.45 177.24 2k9a h TYR 76 N 0.67 0.80 -0.19 1.91 3.20 -0.49 -0.25 116.97 122.62 2k9a h TYR 76 Ca 0.11 0.03 -0.02 0.00 3.14 0.00 0.00 58.73 61.99 2k9a h TYR 76 Cb 0.61 -0.25 -0.01 0.00 1.54 0.00 0.00 36.73 38.62 2k9a h TYR 76 CO 0.03 0.41 0.04 0.82 -1.64 0.00 0.00 178.16 177.81 2k9a h ILE 77 N 0.81 1.21 -0.36 1.81 2.04 -1.22 -2.36 117.51 119.44 2k9a h ILE 77 Ca 0.32 -0.69 0.01 0.00 1.00 0.00 0.00 64.86 65.49 2k9a h ILE 77 Cb 0.15 1.31 -0.02 0.00 -0.74 0.00 0.00 36.82 37.52 2k9a h ILE 77 CO -0.16 0.21 0.23 -0.08 0.00 0.00 0.00 178.15 178.35 2k9a h GLU 78 N 0.11 0.45 -0.19 2.37 4.81 -1.12 -2.35 114.58 118.65 2k9a h GLU 78 Ca 0.06 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.26 2k9a h GLU 78 Cb 0.29 -0.10 -0.01 0.00 0.63 0.00 0.00 28.75 29.56 2k9a h GLU 78 CO 0.00 0.30 0.12 0.93 -0.73 0.00 0.00 179.01 179.63 2k9a h GLU 79 N 0.47 0.26 -0.63 1.92 5.08 -1.03 -1.60 114.58 119.04 2k9a h GLU 79 Ca 0.13 -0.02 0.04 0.00 -1.00 0.00 0.00 59.36 58.51 2k9a h GLU 79 Cb -0.04 -0.06 -0.04 0.00 0.50 0.00 0.00 28.75 29.12 2k9a h GLU 79 CO -0.04 0.19 0.42 1.96 -1.00 0.00 0.00 179.01 180.53 2k9a h GLN 80 N 0.25 0.70 -0.12 2.33 1.08 -1.28 -1.58 115.11 116.50 2k9a h GLN 80 Ca 0.07 -0.04 -0.17 0.00 -1.45 0.00 0.00 58.65 57.06 2k9a h GLN 80 Cb -0.01 -0.16 -0.01 0.00 -0.05 0.00 0.00 27.48 27.25 2k9a h GLN 80 CO -0.01 0.47 -0.63 -0.07 -0.95 0.00 0.00 178.83 177.64 2k9a h LEU 81 N 0.73 0.50 -1.28 1.46 3.38 -1.03 -3.04 115.31 116.04 2k9a h LEU 81 Ca 0.26 -0.29 -0.06 0.00 0.09 0.00 0.00 57.88 57.87 2k9a h LEU 81 Cb 0.12 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.71 2k9a h LEU 81 CO -0.07 1.00 -0.30 -0.07 0.09 0.00 0.00 178.44 179.09 2k9a h LEU 82 N 0.32 0.00 -2.58 1.67 3.38 -0.35 -0.11 115.31 117.64 2k9a h LEU 82 Ca -0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.96 2k9a h LEU 82 Cb 1.17 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.92 2k9a h LEU 82 CO 0.11 0.30 0.00 1.56 0.09 0.00 0.00 178.44 180.50 2k9a h GLN 83 N 0.00 0.00 0.00 1.13 1.08 -1.26 -2.79 115.11 113.27 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 0.69 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 28.11 2k9a h GLN 83 CO 0.04 0.00 -1.05 -2.13 -0.95 0.00 0.00 178.83 174.73 2k9a n ARG 84 N -2.89 2.50 -3.70 1.46 3.00 -1.01 -4.92 116.66 111.10 2k9a n ARG 84 Ca -0.02 -0.00 -0.29 0.00 -0.00 0.00 0.00 57.85 57.53 2k9a n ARG 84 Cb 0.07 -1.02 -0.13 0.00 0.00 0.00 0.00 32.46 31.38 2k9a n ARG 84 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.63 178.05 2k9a s ILE 85 N -2.04 1.35 -1.87 5.15 1.01 -0.08 -4.95 121.20 119.77 2k9a s ILE 85 Ca -0.00 -2.53 0.18 0.00 0.00 0.00 0.00 60.65 58.30 2k9a s ILE 85 Cb 0.00 -1.95 0.47 0.00 0.01 0.00 0.00 42.46 40.99 2k9a s ILE 85 CO 0.04 -0.90 1.50 -0.81 0.00 0.00 0.00 174.94 174.76 2k9a n PRO 86 N 3.55 0.50 -0.25 2.79 -0.04 -1.18 -2.06 135.00 138.31 2k9a n PRO 86 Ca 0.09 0.03 0.07 0.00 -0.04 0.00 0.00 63.50 63.65 2k9a n PRO 86 Cb 0.35 -1.50 0.18 0.00 -0.04 0.00 0.00 33.50 32.48 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 -1.07 2.58 -2.89 0.54 1.02 -1.26 -5.02 120.64 114.54 2k9a n GLU 87 Ca 0.12 -2.43 -0.37 0.00 -0.02 0.00 0.00 57.16 54.47 2k9a n GLU 87 Cb 0.08 -1.53 -0.06 0.00 -0.02 0.00 0.00 31.44 29.91 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 -2.17 3.66 -0.35 -0.32 5.36 -0.87 -5.05 117.98 118.24 2k9a s PHE 88 Ca 0.30 1.65 0.01 0.00 -0.96 0.00 0.00 56.93 57.93 2k9a s PHE 88 Cb 0.23 -2.82 0.11 0.00 -0.34 0.00 0.00 43.02 40.20 2k9a s PHE 88 CO 0.08 0.24 0.11 1.21 -1.46 0.00 0.00 175.22 175.40 2k9a s ASN 89 N -1.65 4.22 0.64 6.13 2.47 -1.26 -4.97 114.94 120.52 2k9a s ASN 89 Ca 0.48 -2.05 0.41 0.00 0.42 0.00 0.00 52.86 52.13 2k9a s ASN 89 Cb -0.18 -1.18 2.21 0.00 -1.45 0.00 0.00 41.25 40.65 2k9a s ASN 89 CO 0.22 -0.37 2.31 -0.03 -3.72 0.00 0.00 177.10 175.51 2k9a h MET 90 N 7.62 0.00 0.37 0.43 1.85 -1.97 -1.14 114.93 122.09 2k9a h MET 90 Ca -0.08 0.00 -0.02 0.00 -0.61 0.00 0.00 59.70 58.99 2k9a h MET 90 Cb 0.99 0.00 0.00 0.00 0.43 0.00 0.00 31.60 33.03 2k9a h MET 90 CO 0.50 0.01 -0.18 0.00 -0.40 0.00 0.00 176.91 176.84 2k9a h ALA 91 N 1.99 -0.49 0.00 0.39 0.00 -2.00 -2.65 119.26 116.51 2k9a h ALA 91 Ca -0.00 -0.15 -0.07 0.00 0.00 0.00 0.00 54.91 54.69 2k9a h ALA 91 Cb 0.08 0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 2k9a h ALA 91 CO 0.00 -0.49 -0.32 0.00 0.00 0.00 0.00 179.25 178.44 2k9a h ALA 92 N -0.90 1.13 0.07 0.00 0.00 -1.96 -2.68 119.26 114.91 2k9a h ALA 92 Ca -0.05 -0.29 -0.00 0.00 0.00 0.00 0.00 54.91 54.57 2k9a h ALA 92 Cb 0.47 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.21 2k9a h ALA 92 CO 0.08 0.40 -0.03 0.35 0.00 0.00 0.00 179.25 180.05 2k9a h PHE 93 N 0.00 -0.09 -0.52 0.00 3.57 -1.28 -2.53 116.94 116.08 2k9a h PHE 93 Ca -0.00 -0.00 -0.06 0.00 3.53 0.00 0.00 57.97 61.43 2k9a h PHE 93 Cb 0.73 0.03 -0.02 0.00 2.79 0.00 0.00 35.95 39.48 2k9a h PHE 93 CO 0.00 0.21 0.07 1.79 -2.23 0.00 0.00 178.31 178.15 2k9a h THR 94 N -0.39 1.24 -0.42 4.41 1.35 -1.43 0.01 112.91 117.67 2k9a h THR 94 Ca -0.01 -0.92 0.03 0.00 -0.55 0.00 0.00 66.41 64.96 2k9a h THR 94 Cb 0.34 0.77 -0.03 0.00 -1.73 0.00 0.00 68.15 67.49 2k9a h THR 94 CO 0.02 0.34 0.22 0.74 -0.25 0.00 0.00 175.52 176.58 2k9a h THR 95 N 0.79 0.99 0.00 6.82 2.02 -1.42 -2.35 112.91 119.76 2k9a h THR 95 Ca 0.16 -0.15 -0.17 0.00 0.77 0.00 0.00 66.41 67.02 2k9a h THR 95 Cb 0.38 0.51 -0.02 0.00 -1.74 0.00 0.00 68.15 67.28 2k9a h THR 95 CO 0.01 0.08 -0.81 0.74 0.37 0.00 0.00 175.52 175.91 2k9a h THR 96 N 0.44 1.57 -0.98 3.16 2.02 -1.26 -3.24 112.91 114.62 2k9a h THR 96 Ca 0.18 -2.80 0.05 0.00 0.77 0.00 0.00 66.41 64.61 2k9a h THR 96 Cb 0.07 2.52 -0.06 0.00 -1.74 0.00 0.00 68.15 68.94 2k9a h THR 96 CO -0.12 0.80 0.64 0.25 0.37 0.00 0.00 175.52 177.45 2k9a h LEU 97 N 0.00 1.03 -1.64 2.58 6.46 -0.49 -1.19 115.31 122.06 2k9a h LEU 97 Ca -0.01 -0.00 0.22 0.00 -0.12 0.00 0.00 57.88 57.98 2k9a h LEU 97 Cb 1.45 -0.22 -0.06 0.00 -0.73 0.00 0.00 40.66 41.10 2k9a h LEU 97 CO 0.11 0.68 0.61 1.56 -0.62 0.00 0.00 178.44 180.78 2k9a h GLN 98 N 1.18 0.28 0.11 1.25 4.20 -1.47 0.64 115.11 121.30 2k9a h GLN 98 Ca 0.40 -0.02 -0.34 0.00 0.06 0.00 0.00 58.65 58.76 2k9a h GLN 98 Cb 0.09 -0.06 -0.02 0.00 0.30 0.00 0.00 27.48 27.79 2k9a h GLN 98 CO -0.14 0.18 -1.82 0.45 -0.67 0.00 0.00 178.83 176.83 2k9a h HIS 99 N 0.29 0.43 0.00 2.96 3.86 -1.46 -3.32 115.15 117.91 2k9a h HIS 99 Ca 0.47 -0.31 0.00 0.00 -1.16 0.00 0.00 60.37 59.37 2k9a h HIS 99 Cb 1.35 -0.02 0.00 0.00 1.06 0.00 0.00 27.41 29.80 2k9a h HIS 99 CO -0.00 1.55 0.00 1.58 0.86 0.00 0.00 177.93 181.92 2k9a n HIS 100 N -3.41 0.00 0.29 2.45 -0.00 -0.32 -2.63 115.22 111.61 2k9a n HIS 100 Ca -0.25 0.00 0.16 0.00 -0.00 0.00 0.00 57.72 57.63 2k9a n HIS 100 Cb 1.05 -0.23 0.89 0.00 -0.00 0.00 0.00 29.99 31.70 2k9a n HIS 100 CO 0.00 0.00 0.00 -0.22 -0.00 0.00 0.00 176.34 176.12 2k9a h LYS 101 N 0.00 0.00 0.00 1.57 3.64 -1.04 -0.20 116.57 120.54 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 0.11 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.93 2k9a h LYS 101 CO 0.00 0.05 0.00 -0.25 -2.27 0.00 0.00 179.45 176.98 2k9a n ASP 102 N -3.48 0.00 0.03 4.20 8.00 -1.08 -4.06 116.55 120.16 2k9a n ASP 102 Ca -0.02 -0.23 -0.00 0.00 0.71 0.00 0.00 54.79 55.25 2k9a n ASP 102 Cb 0.17 -0.20 -0.00 0.00 -0.02 0.00 0.00 41.12 41.06 2k9a n ASP 102 CO 0.00 0.00 0.00 1.21 -0.39 0.00 0.00 177.20 178.02 2k9a n GLU 103 N -1.20 0.03 -0.93 -1.24 4.07 -0.19 -5.07 120.64 116.11 2k9a n GLU 103 Ca 0.12 0.01 -0.33 0.00 -0.06 0.00 0.00 57.16 56.91 2k9a n GLU 103 Cb 0.15 -0.41 0.14 0.00 -0.06 0.00 0.00 31.44 31.26 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 -3.24 1.18 -1.53 6.31 3.14 -0.59 -4.80 118.33 118.79 2k9a n VAL 104 Ca -0.01 -0.13 -0.44 0.00 -2.96 0.00 0.00 64.34 60.81 2k9a n VAL 104 Cb 0.03 -1.10 -0.05 0.00 -1.06 0.00 0.00 33.84 31.66 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 -3.68 1.26 0.20 1.55 0.00 -1.26 -4.80 120.51 113.78 2k9a n ALA 105 Ca 0.13 -0.34 0.05 0.00 0.00 0.00 0.00 53.44 53.27 2k9a n ALA 105 Cb 0.51 -2.83 0.50 0.00 0.00 0.00 0.00 19.45 17.63 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 15.05 0.07 1.39 0.00 0.00 -1.87 -2.38 103.07 115.33 2k9a h GLY 106 Ca -0.31 -0.04 -0.07 0.00 0.00 0.00 0.00 47.33 46.92 2k9a h GLY 106 CO 1.05 0.04 0.01 1.29 0.00 0.00 0.00 176.54 178.92 2k9a h ASP 107 N 0.07 0.72 -0.01 0.19 2.03 -1.96 0.20 116.42 117.66 2k9a h ASP 107 Ca 0.01 -0.16 -0.01 0.00 -0.73 0.00 0.00 57.03 56.14 2k9a h ASP 107 Cb 0.27 -0.19 0.00 0.00 -0.83 0.00 0.00 39.33 38.58 2k9a h ASP 107 CO 0.02 0.78 -0.03 0.40 -1.03 0.00 0.00 179.24 179.38 2k9a h ILE 108 N 0.71 1.53 0.00 4.15 2.04 -1.83 -3.24 117.51 120.86 2k9a h ILE 108 Ca 0.14 -1.58 -0.04 0.00 1.00 0.00 0.00 64.86 64.37 2k9a h ILE 108 Cb 0.42 2.58 -0.01 0.00 -0.74 0.00 0.00 36.82 39.08 2k9a h ILE 108 CO 0.02 0.42 -0.21 0.15 0.00 0.00 0.00 178.15 178.52 2k9a h PHE 109 N -0.63 0.00 -1.13 1.37 3.57 -1.44 -2.68 116.94 116.01 2k9a h PHE 109 Ca -0.00 0.00 0.33 0.00 3.53 0.00 0.00 57.97 61.82 2k9a h PHE 109 Cb 0.69 0.00 -0.05 0.00 2.79 0.00 0.00 35.95 39.39 2k9a h PHE 109 CO 0.16 0.21 0.83 0.22 -2.23 0.00 0.00 178.31 177.50 2k9a h ASP 110 N 0.00 0.00 0.04 0.41 1.82 -0.97 0.62 116.42 118.34 2k9a h ASP 110 Ca -0.00 0.00 -0.00 0.00 -0.39 0.00 0.00 57.03 56.64 2k9a h ASP 110 Cb 0.40 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.41 2k9a h ASP 110 CO 0.03 0.00 -0.02 -0.03 -1.61 0.00 0.00 179.24 177.61 2k9a h MET 111 N 0.00 -0.06 0.00 0.28 4.05 -1.63 -3.17 114.93 114.41 2k9a h MET 111 Ca 0.53 0.00 -0.02 0.00 -0.28 0.00 0.00 59.70 59.94 2k9a h MET 111 Cb 2.19 0.01 -0.00 0.00 -0.80 0.00 0.00 31.60 33.00 2k9a h MET 111 CO -0.01 0.52 -0.10 -0.07 0.23 0.00 0.00 176.91 177.49 2k9a h LEU 112 N -0.68 0.00 -1.87 3.39 3.38 -0.70 -2.83 115.31 116.00 2k9a h LEU 112 Ca -0.01 0.00 0.19 0.00 0.09 0.00 0.00 57.88 58.16 2k9a h LEU 112 Cb 0.60 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.32 2k9a h LEU 112 CO 0.01 0.10 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 0.09 -0.43 115.31 122.49 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 0.39 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.42 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 -3.81 0.00 0.17 1.05 -2.24 -1.07 -2.29 114.28 106.09 2k9a n THR 114 Ca 0.13 0.00 0.03 0.00 -2.27 0.00 0.00 64.05 61.95 2k9a n THR 114 Cb 0.86 -0.75 0.43 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 0.11 0.00 4.78 0.04 -1.35 -3.39 116.94 117.13 2k9a h PHE 115 Ca 0.00 -0.01 0.00 0.00 2.80 0.00 0.00 57.97 60.76 2k9a h PHE 115 Cb 0.00 -0.03 0.00 0.00 2.20 0.00 0.00 35.95 38.12 2k9a h PHE 115 CO 0.00 0.30 0.00 -2.37 -0.60 0.00 0.00 178.31 175.64 2k9a n THR 116 N -4.26 0.00 -2.10 -1.55 5.66 -1.07 -5.01 114.28 105.95 2k9a n THR 116 Ca -0.02 0.00 -0.28 0.00 -3.05 0.00 0.00 64.05 60.70 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 -0.62 -3.05 0.00 0.00 175.07 171.40 2k9a s ASP 117 N -0.34 5.24 0.54 1.09 2.15 -0.97 -4.77 116.67 119.60 2k9a s ASP 117 Ca 0.00 -1.00 0.21 0.00 0.43 0.00 0.00 52.55 52.19 2k9a s ASP 117 Cb 0.00 -2.57 1.39 0.00 -0.30 0.00 0.00 42.92 41.44 2k9a s ASP 117 CO 0.00 -2.72 2.10 0.15 -0.17 0.00 0.00 175.17 174.53 2k9a h PHE 118 N 10.74 0.00 -0.65 -5.34 3.57 -1.89 -1.52 116.94 121.85 2k9a h PHE 118 Ca 0.14 0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.62 2k9a h PHE 118 Cb 0.99 0.00 -0.03 0.00 2.79 0.00 0.00 35.95 39.70 2k9a h PHE 118 CO 1.22 0.00 0.33 -0.07 -2.23 0.00 0.00 178.31 177.57 2k9a h LEU 119 N 0.00 0.84 -0.61 0.59 -0.00 -1.98 -1.89 115.31 112.25 2k9a h LEU 119 Ca 0.09 -0.12 -0.10 0.00 -0.00 0.00 0.00 57.88 57.75 2k9a h LEU 119 Cb 0.40 -0.21 -0.01 0.00 -0.00 0.00 0.00 40.66 40.83 2k9a h LEU 119 CO -0.00 0.72 -0.50 0.00 -0.00 0.00 0.00 178.44 178.66 2k9a h ALA 120 N 1.15 0.85 0.28 1.53 0.00 -1.68 -2.38 119.26 119.02 2k9a h ALA 120 Ca 0.23 -0.45 -0.01 0.00 0.00 0.00 0.00 54.91 54.67 2k9a h ALA 120 Cb 0.09 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.80 2k9a h ALA 120 CO -0.03 0.62 -0.13 0.35 0.00 0.00 0.00 179.25 180.05 2k9a h PHE 121 N 0.00 -0.35 -0.29 0.00 3.57 -0.98 -1.51 116.94 117.37 2k9a h PHE 121 Ca -0.00 -0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.46 2k9a h PHE 121 Cb 1.12 0.12 -0.01 0.00 2.79 0.00 0.00 35.95 39.96 2k9a h PHE 121 CO 0.00 -0.00 0.06 -0.22 -2.23 0.00 0.00 178.31 175.92 2k9a h LYS 122 N -0.77 0.47 0.00 1.11 3.64 -1.43 -2.57 116.57 117.02 2k9a h LYS 122 Ca -0.04 -0.12 -0.00 0.00 -1.27 0.00 0.00 60.65 59.22 2k9a h LYS 122 Cb 0.50 -0.06 -0.00 0.00 -0.41 0.00 0.00 32.23 32.26 2k9a h LYS 122 CO 0.06 0.56 -0.02 0.93 -2.27 0.00 0.00 179.45 178.71 2k9a h GLU 123 N 0.30 0.00 -0.20 1.90 5.08 -1.50 -1.52 114.58 118.64 2k9a h GLU 123 Ca 0.09 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.41 2k9a h GLU 123 Cb 0.30 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.55 2k9a h GLU 123 CO 0.00 0.02 -0.03 1.98 -1.00 0.00 0.00 179.01 179.97 2k9a h MET 124 N 0.00 0.38 0.04 2.33 4.05 -0.88 -1.85 114.93 119.00 2k9a h MET 124 Ca -0.00 -0.14 -0.00 0.00 -0.28 0.00 0.00 59.70 59.28 2k9a h MET 124 Cb 0.03 -0.03 0.00 0.00 -0.80 0.00 0.00 31.60 30.80 2k9a h MET 124 CO 0.00 0.62 -0.02 0.74 0.23 0.00 0.00 176.91 178.48 2k9a h PHE 125 N 0.12 -0.05 -0.57 1.39 0.04 -1.17 -2.50 116.94 114.21 2k9a h PHE 125 Ca 0.05 -0.00 0.10 0.00 2.80 0.00 0.00 57.97 60.93 2k9a h PHE 125 Cb 0.47 0.02 -0.03 0.00 2.20 0.00 0.00 35.95 38.60 2k9a h PHE 125 CO 0.05 0.27 0.38 -0.07 -0.60 0.00 0.00 178.31 178.34 2k9a h LEU 126 N -0.37 0.29 -0.20 1.54 4.07 -1.35 -1.28 115.31 118.03 2k9a h LEU 126 Ca -0.01 0.01 -0.04 0.00 0.08 0.00 0.00 57.88 57.93 2k9a h LEU 126 Cb 0.34 -0.05 -0.01 0.00 1.08 0.00 0.00 40.66 42.02 2k9a h LEU 126 CO 0.01 0.18 -0.02 -0.78 -1.08 0.00 0.00 178.44 176.74 2k9a h ASP 127 N 0.33 0.36 -0.97 -0.43 1.82 -1.15 -1.17 116.42 115.20 2k9a h ASP 127 Ca 0.26 -0.34 0.04 0.00 -0.39 0.00 0.00 57.03 56.61 2k9a h ASP 127 Cb 0.60 -0.10 -0.06 0.00 0.68 0.00 0.00 39.33 40.46 2k9a h ASP 127 CO -0.06 0.61 0.63 0.22 -1.61 0.00 0.00 179.24 179.03 2k9a h TYR 128 N 0.10 1.18 -0.46 0.28 3.20 -0.81 -2.16 116.97 118.30 2k9a h TYR 128 Ca 0.05 0.03 -0.11 0.00 3.14 0.00 0.00 58.73 61.84 2k9a h TYR 128 Cb 0.44 -0.39 -0.01 0.00 1.54 0.00 0.00 36.73 38.30 2k9a h TYR 128 CO 0.04 0.66 -0.15 -0.09 -1.64 0.00 0.00 178.16 176.99 2k9a h ARG 129 N 1.20 0.91 -0.23 1.82 2.43 -1.21 -2.93 114.38 116.37 2k9a h ARG 129 Ca 0.39 -0.37 0.00 0.00 -0.81 0.00 0.00 59.98 59.20 2k9a h ARG 129 Cb 0.04 -0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 29.53 2k9a h ARG 129 CO -0.13 1.02 0.16 0.00 -1.51 0.00 0.00 179.97 179.50 2k9a h ALA 130 N 0.87 1.84 0.00 2.80 0.00 -0.61 -1.17 119.26 122.99 2k9a h ALA 130 Ca 0.11 -0.02 -0.05 0.00 0.00 0.00 0.00 54.91 54.95 2k9a h ALA 130 Cb 0.71 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.40 2k9a h ALA 130 CO 0.05 0.15 -0.25 0.93 0.00 0.00 0.00 179.25 180.13 2k9a h GLU 131 N 0.31 0.00 -0.00 0.00 4.39 -1.22 0.44 114.58 118.50 2k9a h GLU 131 Ca 0.09 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.78 2k9a h GLU 131 Cb -0.03 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 28.62 2k9a h GLU 131 CO -0.02 0.25 -0.04 0.87 -1.16 0.00 0.00 179.01 178.91 2k9a h LYS 132 N 0.00 0.00 -0.07 2.33 1.79 -1.24 -2.34 116.57 117.05 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 0.44 -0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.09 2k9a h LYS 132 CO 0.03 0.05 0.00 0.39 -1.08 0.00 0.00 179.45 178.84 2k9a n GLU 133 N -4.49 2.54 -3.11 3.15 1.02 -0.87 -4.79 120.64 114.10 2k9a n GLU 133 Ca -0.03 -1.95 -0.20 0.00 -0.02 0.00 0.00 57.16 54.96 2k9a n GLU 133 Cb 0.13 -1.23 -0.04 0.00 -0.02 0.00 0.00 31.44 30.28 2k9a n GLU 133 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2k9a n GLY 134 N -0.59 2.49 2.91 0.62 0.00 0.09 -5.08 105.19 105.63 2k9a n GLY 134 Ca 0.07 -1.28 -0.15 0.00 0.00 0.00 0.00 46.02 44.66 2k9a n GLY 134 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2k9a s ARG 135 N -1.08 0.08 0.00 1.61 3.52 -1.23 -4.61 118.95 117.24 2k9a s ARG 135 Ca 0.35 0.62 0.10 0.00 -0.13 0.00 0.00 55.73 56.67 2k9a s ARG 135 Cb 0.22 -0.18 0.08 0.00 -1.56 0.00 0.00 34.95 33.50 2k9a s ARG 135 CO -0.12 -0.29 0.82 0.41 -0.81 0.00 0.00 175.30 175.31