#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 -0.42 -0.14 6.12 -4.77 -1.26 -5.15 116.67 111.05 2k9a s ASP 2 Ca 0.00 0.12 -0.04 0.00 -3.30 0.00 0.00 52.55 49.33 2k9a s ASP 2 Cb 0.00 0.41 0.05 0.00 -1.09 0.00 0.00 42.92 42.29 2k9a s ASP 2 CO 0.00 -0.62 0.08 0.00 0.70 0.00 0.00 175.17 175.33 2k9a s ALA 3 N -2.72 0.36 0.00 2.11 0.00 -1.26 -4.91 121.76 115.34 2k9a s ALA 3 Ca 0.02 -0.17 0.00 0.00 0.00 0.00 0.00 51.96 51.81 2k9a s ALA 3 Cb -0.01 -0.93 0.00 0.00 0.00 0.00 0.00 23.12 22.18 2k9a s ALA 3 CO -0.06 -1.00 0.00 -0.11 0.00 0.00 0.00 175.76 174.59 2k9a n LEU 4 N 5.29 0.00 0.00 0.00 7.94 -1.26 -5.17 117.00 123.80 2k9a n LEU 4 Ca -0.06 0.00 0.13 0.00 -1.11 0.00 0.00 56.01 54.97 2k9a n LEU 4 Cb 0.49 0.00 -0.03 0.00 0.53 0.00 0.00 43.42 44.41 2k9a n LEU 4 CO 0.09 0.00 -0.17 -0.62 -1.11 0.00 0.00 177.39 175.58 2k9a n GLU 5 N -0.39 -1.89 -0.67 1.96 1.02 -1.26 -4.90 120.64 114.50 2k9a n GLU 5 Ca 0.00 1.25 0.00 0.00 -0.02 0.00 0.00 57.16 58.39 2k9a n GLU 5 Cb 0.00 -2.31 0.00 0.00 -0.02 0.00 0.00 31.44 29.11 2k9a n GLU 5 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2k9a n GLY 6 N -2.76 0.85 3.20 0.62 0.00 -1.26 -5.01 105.19 100.83 2k9a n GLY 6 Ca 0.01 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.65 2k9a n GLY 6 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2k9a s GLU 7 N -0.32 2.37 0.09 1.61 2.12 -1.26 -5.07 118.70 118.23 2k9a s GLU 7 Ca 0.00 -1.54 0.04 0.00 0.36 0.00 0.00 54.97 53.83 2k9a s GLU 7 Cb 0.00 -3.60 -0.03 0.00 0.26 0.00 0.00 34.13 30.76 2k9a s GLU 7 CO 0.00 -0.93 -0.11 -1.54 -0.54 0.00 0.00 175.26 172.15 2k9a s SER 8 N 1.85 1.46 -0.20 -1.70 1.04 -1.26 -5.10 113.70 109.79 2k9a s SER 8 Ca 0.03 -0.76 -0.29 0.00 0.48 0.00 0.00 55.95 55.41 2k9a s SER 8 Cb -0.22 -0.00 -0.05 0.00 0.10 0.00 0.00 66.02 65.85 2k9a s SER 8 CO -0.01 -0.23 2.04 -0.36 0.98 0.00 0.00 173.24 175.67 2k9a s PHE 9 N -2.17 1.39 0.10 5.02 0.08 -1.26 -4.75 117.98 116.39 2k9a s PHE 9 Ca 0.03 0.39 0.00 0.00 0.12 0.00 0.00 56.93 57.48 2k9a s PHE 9 Cb -0.05 -4.02 0.00 0.00 -0.57 0.00 0.00 43.02 38.39 2k9a s PHE 9 CO 0.00 -4.01 0.00 0.00 -0.10 0.00 0.00 175.22 171.12 2k9a n ALA 10 N 10.45 3.00 -1.56 5.36 0.00 -1.26 -5.01 120.51 131.49 2k9a n ALA 10 Ca 0.26 0.00 -0.19 0.00 0.00 0.00 0.00 53.44 53.51 2k9a n ALA 10 Cb 0.45 0.25 -0.08 0.00 0.00 0.00 0.00 19.45 20.07 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 -3.29 -1.39 0.00 0.00 7.94 -1.26 -4.66 117.00 114.33 2k9a n LEU 11 Ca 0.00 0.48 0.00 0.00 -1.11 0.00 0.00 56.01 55.38 2k9a n LEU 11 Cb 0.13 -2.71 0.00 0.00 0.53 0.00 0.00 43.42 41.37 2k9a n LEU 11 CO 0.00 -1.02 -0.18 -1.20 -1.11 0.00 0.00 177.39 173.88 2k9a n SER 12 N -1.21 1.70 0.09 1.96 7.64 -1.26 -4.80 113.62 117.73 2k9a n SER 12 Ca -0.19 0.00 -0.07 0.00 1.01 0.00 0.00 58.87 59.62 2k9a n SER 12 Cb 0.64 0.14 -0.02 0.00 -1.01 0.00 0.00 64.21 63.96 2k9a n SER 12 CO 0.00 0.00 0.00 0.15 -3.01 0.00 0.00 175.04 172.18 2k9a h PHE 13 N 0.00 0.11 -3.56 1.43 3.57 -2.00 -3.42 116.94 113.06 2k9a h PHE 13 Ca 0.00 -0.07 -0.57 0.00 3.53 0.00 0.00 57.97 60.86 2k9a h PHE 13 Cb 0.36 -0.01 -0.09 0.00 2.79 0.00 0.00 35.95 39.00 2k9a h PHE 13 CO 0.00 0.91 0.81 -1.12 -2.23 0.00 0.00 178.31 176.68 2k9a s SER 14 N -6.83 6.53 0.40 0.41 0.01 -1.26 -4.53 113.70 108.44 2k9a s SER 14 Ca -0.01 0.23 0.00 0.00 1.31 0.00 0.00 55.95 57.48 2k9a s SER 14 Cb 0.11 -2.51 0.00 0.00 0.21 0.00 0.00 66.02 63.82 2k9a s SER 14 CO 0.81 -1.24 0.00 -0.24 0.41 0.00 0.00 173.24 172.98 2k9a n SER 15 N 7.73 -3.62 0.27 2.44 2.88 -1.26 -4.83 113.62 117.23 2k9a n SER 15 Ca 0.09 0.85 -0.16 0.00 -1.33 0.00 0.00 58.87 58.32 2k9a n SER 15 Cb 0.49 3.43 -0.08 0.00 -0.75 0.00 0.00 64.21 67.30 2k9a n SER 15 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2k9a h ALA 16 N 0.00 -0.65 -0.31 -1.46 0.00 -1.95 -1.94 119.26 112.95 2k9a h ALA 16 Ca 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.75 2k9a h ALA 16 Cb 0.00 0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.04 2k9a h ALA 16 CO 0.00 -0.82 0.00 0.45 0.00 0.00 0.00 179.25 178.88 2k9a n SER 17 N -5.34 1.68 -4.90 0.00 2.88 -1.26 -4.51 113.62 102.18 2k9a n SER 17 Ca -0.12 -2.00 -0.20 0.00 -1.33 0.00 0.00 58.87 55.22 2k9a n SER 17 Cb 0.29 -0.21 -0.02 0.00 -0.75 0.00 0.00 64.21 63.51 2k9a n SER 17 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 2k9a s ASP 18 N -1.00 5.32 0.63 -3.46 2.15 -0.99 -4.99 116.67 114.33 2k9a s ASP 18 Ca 0.21 -0.55 0.32 0.00 0.43 0.00 0.00 52.55 52.96 2k9a s ASP 18 Cb 0.11 -0.80 1.74 0.00 -0.30 0.00 0.00 42.92 43.67 2k9a s ASP 18 CO 0.14 -0.54 2.05 0.00 -0.17 0.00 0.00 175.17 176.65 2k9a h ALA 19 N 1.04 1.57 -0.54 3.66 0.00 -1.90 -2.08 119.26 121.01 2k9a h ALA 19 Ca -0.43 -0.00 0.06 0.00 0.00 0.00 0.00 54.91 54.54 2k9a h ALA 19 Cb 1.26 0.01 -0.06 0.00 0.00 0.00 0.00 17.79 19.01 2k9a h ALA 19 CO 0.55 -0.33 0.23 1.49 0.00 0.00 0.00 179.25 181.20 2k9a h GLU 20 N 0.00 0.43 -0.89 0.00 4.57 -1.92 -1.64 114.58 115.13 2k9a h GLU 20 Ca 0.06 -0.03 0.04 0.00 -1.18 0.00 0.00 59.36 58.26 2k9a h GLU 20 Cb 0.58 -0.10 -0.06 0.00 -0.16 0.00 0.00 28.75 29.02 2k9a h GLU 20 CO -0.00 0.28 0.57 0.35 -1.18 0.00 0.00 179.01 179.03 2k9a h PHE 21 N 0.44 1.07 -0.86 0.92 3.57 -0.62 -2.10 116.94 119.35 2k9a h PHE 21 Ca 0.25 0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.76 2k9a h PHE 21 Cb 0.24 -0.35 -0.04 0.00 2.79 0.00 0.00 35.95 38.58 2k9a h PHE 21 CO -0.13 0.59 0.46 0.22 -2.23 0.00 0.00 178.31 177.21 2k9a h ASP 22 N 1.09 1.09 -0.60 0.41 1.82 -1.44 -2.57 116.42 116.22 2k9a h ASP 22 Ca 0.37 -0.11 -0.02 0.00 -0.39 0.00 0.00 57.03 56.88 2k9a h ASP 22 Cb 0.06 -0.28 -0.03 0.00 0.68 0.00 0.00 39.33 39.76 2k9a h ASP 22 CO -0.14 0.89 0.30 0.00 -1.61 0.00 0.00 179.24 178.68 2k9a h ALA 23 N 1.28 0.77 -0.64 -0.78 0.00 -0.74 -2.42 119.26 116.74 2k9a h ALA 23 Ca 0.30 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 55.09 2k9a h ALA 23 Cb 0.05 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 17.57 2k9a h ALA 23 CO -0.05 0.32 0.41 0.28 0.00 0.00 0.00 179.25 180.22 2k9a h VAL 24 N 0.82 1.17 -0.69 0.00 2.07 -1.14 -2.34 116.25 116.15 2k9a h VAL 24 Ca 0.21 -0.34 -0.01 0.00 0.82 0.00 0.00 66.70 67.38 2k9a h VAL 24 Cb 0.10 0.25 -0.03 0.00 -1.52 0.00 0.00 31.29 30.08 2k9a h VAL 24 CO -0.03 0.17 0.39 0.58 0.02 0.00 0.00 177.57 178.70 2k9a h VAL 25 N 0.87 1.20 0.31 2.57 2.07 -1.22 -2.33 116.25 119.72 2k9a h VAL 25 Ca 0.23 -0.48 -0.02 0.00 0.82 0.00 0.00 66.70 67.25 2k9a h VAL 25 Cb -0.08 0.26 0.00 0.00 -1.52 0.00 0.00 31.29 29.96 2k9a h VAL 25 CO -0.05 0.22 -0.15 1.23 0.02 0.00 0.00 177.57 178.84 2k9a h GLY 26 N 1.00 -0.43 0.76 2.17 0.00 -0.94 -2.60 103.07 103.03 2k9a h GLY 26 Ca 0.24 0.16 0.07 0.00 0.00 0.00 0.00 47.33 47.81 2k9a h GLY 26 CO -0.04 -0.16 0.61 -0.97 0.00 0.00 0.00 176.54 175.98 2k9a h TYR 27 N -0.54 1.09 -0.35 5.60 0.05 -1.35 -2.07 116.97 119.40 2k9a h TYR 27 Ca -0.04 0.03 0.04 0.00 0.05 0.00 0.00 58.73 58.80 2k9a h TYR 27 Cb 0.40 -0.36 -0.04 0.00 1.01 0.00 0.00 36.73 37.75 2k9a h TYR 27 CO -0.02 0.54 0.14 -0.07 -1.05 0.00 0.00 178.16 177.70 2k9a h LEU 28 N 1.05 0.17 -0.66 3.88 3.38 -1.27 -1.85 115.31 120.01 2k9a h LEU 28 Ca 0.42 0.03 0.06 0.00 0.09 0.00 0.00 57.88 58.48 2k9a h LEU 28 Cb 0.25 0.01 -0.06 0.00 0.09 0.00 0.00 40.66 40.95 2k9a h LEU 28 CO -0.17 0.13 0.35 -0.33 0.09 0.00 0.00 178.44 178.52 2k9a h GLU 29 N 0.29 0.63 -0.27 1.13 5.08 -0.99 -0.78 114.58 119.67 2k9a h GLU 29 Ca 0.15 -0.04 -0.02 0.00 -1.00 0.00 0.00 59.36 58.46 2k9a h GLU 29 Cb 0.11 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.20 2k9a h GLU 29 CO -0.14 0.41 0.09 -0.44 -1.00 0.00 0.00 179.01 177.93 2k9a h ASP 30 N 0.65 0.33 0.14 1.42 3.32 -1.12 -2.24 116.42 118.92 2k9a h ASP 30 Ca 0.30 -0.03 -0.19 0.00 0.02 0.00 0.00 57.03 57.13 2k9a h ASP 30 Cb 0.21 -0.08 -0.00 0.00 0.22 0.00 0.00 39.33 39.68 2k9a h ASP 30 CO -0.20 0.32 -0.73 0.40 -1.72 0.00 0.00 179.24 177.31 2k9a h ILE 31 N 0.37 1.35 -0.65 0.35 2.04 -0.39 -2.19 117.51 118.40 2k9a h ILE 31 Ca 0.09 -2.07 -0.07 0.00 1.00 0.00 0.00 64.86 63.81 2k9a h ILE 31 Cb 0.10 2.06 -0.03 0.00 -0.74 0.00 0.00 36.82 38.21 2k9a h ILE 31 CO -0.01 0.63 0.12 0.40 0.00 0.00 0.00 178.15 179.30 2k9a h ILE 32 N 0.35 1.26 -0.39 -0.67 2.04 -0.67 -2.29 117.51 117.15 2k9a h ILE 32 Ca -0.03 -0.98 0.00 0.00 1.00 0.00 0.00 64.86 64.85 2k9a h ILE 32 Cb 1.32 0.62 0.00 0.00 -0.74 0.00 0.00 36.82 38.02 2k9a h ILE 32 CO 0.13 0.37 0.00 0.23 0.00 0.00 0.00 178.15 178.88 2k9a n MET 33 N -4.23 2.02 -2.18 2.37 2.81 -0.95 -4.66 117.12 112.29 2k9a n MET 33 Ca 0.04 -1.57 -0.41 0.00 -1.81 0.00 0.00 57.70 53.96 2k9a n MET 33 Cb 0.27 -1.37 -0.03 0.00 -0.71 0.00 0.00 33.22 31.38 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 -1.16 6.86 0.13 7.83 2.15 -0.83 -4.92 116.67 126.73 2k9a s ASP 34 Ca 0.31 2.49 -0.19 0.00 0.43 0.00 0.00 52.55 55.59 2k9a s ASP 34 Cb 0.17 -2.62 -0.02 0.00 -0.30 0.00 0.00 42.92 40.15 2k9a s ASP 34 CO 0.23 -0.53 1.73 -0.78 -0.17 0.00 0.00 175.17 175.65 2k9a h ASP 35 N 4.82 0.00 0.08 -0.34 3.58 -1.89 -0.76 116.42 121.90 2k9a h ASP 35 Ca -0.46 0.04 -0.01 0.00 0.42 0.00 0.00 57.03 57.02 2k9a h ASP 35 Cb 1.22 0.05 -0.00 0.00 1.72 0.00 0.00 39.33 42.31 2k9a h ASP 35 CO 0.74 0.03 -0.04 -0.08 -2.88 0.00 0.00 179.24 177.01 2k9a h GLU 36 N 0.13 0.00 0.13 0.28 4.81 -1.94 -2.22 114.58 115.77 2k9a h GLU 36 Ca 0.10 0.00 -0.30 0.00 -0.13 0.00 0.00 59.36 59.03 2k9a h GLU 36 Cb 0.10 0.00 0.03 0.00 0.63 0.00 0.00 28.75 29.51 2k9a h GLU 36 CO -0.14 0.04 -1.27 0.35 -0.73 0.00 0.00 179.01 177.27 2k9a h PHE 37 N 0.00 0.96 -0.51 0.92 3.57 -1.53 -2.66 116.94 117.69 2k9a h PHE 37 Ca -0.00 -0.62 -0.01 0.00 3.53 0.00 0.00 57.97 60.87 2k9a h PHE 37 Cb 0.09 -0.07 -0.02 0.00 2.79 0.00 0.00 35.95 38.74 2k9a h PHE 37 CO 0.00 1.46 0.26 1.96 -2.23 0.00 0.00 178.31 179.77 2k9a h GLN 38 N 0.25 0.72 -0.19 1.11 1.08 -0.59 0.29 115.11 117.79 2k9a h GLN 38 Ca -0.19 -0.10 -0.06 0.00 -1.45 0.00 0.00 58.65 56.85 2k9a h GLN 38 Cb 1.94 -0.14 -0.00 0.00 -0.05 0.00 0.00 27.48 29.23 2k9a h GLN 38 CO 0.24 0.58 -0.13 1.25 -0.95 0.00 0.00 178.83 179.82 2k9a h LEU 39 N 0.68 0.43 0.18 1.46 5.85 -1.56 -2.00 115.31 120.36 2k9a h LEU 39 Ca 0.18 -0.44 -0.01 0.00 0.84 0.00 0.00 57.88 58.45 2k9a h LEU 39 Cb 0.08 -0.12 0.00 0.00 0.37 0.00 0.00 40.66 40.99 2k9a h LEU 39 CO -0.03 0.78 -0.09 0.25 -0.34 0.00 0.00 178.44 179.02 2k9a h LEU 40 N 0.09 -0.21 -0.37 2.25 6.46 -1.39 0.26 115.31 122.40 2k9a h LEU 40 Ca 0.04 -0.16 0.02 0.00 -0.12 0.00 0.00 57.88 57.65 2k9a h LEU 40 Cb 0.64 0.05 -0.03 0.00 -0.73 0.00 0.00 40.66 40.60 2k9a h LEU 40 CO 0.03 0.05 0.21 -0.61 -0.62 0.00 0.00 178.44 177.50 2k9a h GLN 41 N -0.47 0.42 -0.15 1.25 5.75 -1.02 -2.42 115.11 118.47 2k9a h GLN 41 Ca -0.03 -0.03 -0.10 0.00 -0.15 0.00 0.00 58.65 58.35 2k9a h GLN 41 Cb 0.36 -0.09 -0.01 0.00 1.07 0.00 0.00 27.48 28.80 2k9a h GLN 41 CO 0.04 0.28 -0.35 -0.09 -2.65 0.00 0.00 178.83 176.06 2k9a h ARG 42 N 0.43 0.32 -0.14 1.69 2.43 -1.36 -1.20 114.38 116.54 2k9a h ARG 42 Ca 0.15 -0.14 -0.00 0.00 -0.81 0.00 0.00 59.98 59.18 2k9a h ARG 42 Cb 0.01 -0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 29.54 2k9a h ARG 42 CO -0.07 0.63 0.08 -0.97 -1.51 0.00 0.00 179.97 178.13 2k9a h ASN 43 N 0.27 0.17 -0.01 -3.80 -0.73 -0.47 -1.29 115.58 109.72 2k9a h ASN 43 Ca 0.03 -0.07 -0.09 0.00 1.87 0.00 0.00 56.30 58.03 2k9a h ASN 43 Cb 0.75 -0.04 0.01 0.00 0.27 0.00 0.00 38.32 39.30 2k9a h ASN 43 CO 0.06 0.20 -0.36 -0.26 -0.37 0.00 0.00 177.43 176.69 2k9a h PHE 44 N 0.14 0.39 -0.19 0.67 -1.00 -1.42 -3.22 116.94 112.31 2k9a h PHE 44 Ca 0.05 -0.20 0.06 0.00 2.81 0.00 0.00 57.97 60.68 2k9a h PHE 44 Cb 0.06 -0.05 -0.01 0.00 3.61 0.00 0.00 35.95 39.57 2k9a h PHE 44 CO -0.05 1.00 0.18 0.52 -1.61 0.00 0.00 178.31 178.36 2k9a h MET 45 N -0.34 0.00 -0.09 1.51 2.86 -1.23 0.36 114.93 118.00 2k9a h MET 45 Ca -0.04 0.00 -0.02 0.00 -2.06 0.00 0.00 59.70 57.58 2k9a h MET 45 Cb 1.09 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.74 2k9a h MET 45 CO 0.07 0.00 -0.03 0.22 1.06 0.00 0.00 176.91 178.23 2k9a h ASP 46 N 0.00 0.12 0.09 1.22 1.82 -1.23 -2.06 116.42 116.37 2k9a h ASP 46 Ca 0.09 -0.01 -0.37 0.00 -0.39 0.00 0.00 57.03 56.35 2k9a h ASP 46 Cb 0.46 -0.03 -0.05 0.00 0.68 0.00 0.00 39.33 40.38 2k9a h ASP 46 CO -0.00 0.18 -2.25 1.17 -1.61 0.00 0.00 179.24 176.73 2k9a n LYS 47 N -4.42 0.69 -0.08 0.28 0.00 -0.04 -4.25 118.16 110.34 2k9a n LYS 47 Ca -0.01 0.17 -0.07 0.00 0.00 0.00 0.00 58.31 58.40 2k9a n LYS 47 Cb 0.16 -1.60 -0.00 0.00 0.00 0.00 0.00 35.03 33.59 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 0.02 0.04 0.00 5.64 -1.99 -1.00 -0.13 116.97 119.56 2k9a h TYR 48 Ca -0.50 0.02 0.00 0.00 2.00 0.00 0.00 58.73 60.25 2k9a h TYR 48 Cb 2.01 0.03 0.00 0.00 2.00 0.00 0.00 36.73 40.76 2k9a h TYR 48 CO 0.04 -0.02 0.00 0.10 -0.00 0.00 0.00 178.16 178.28 2k9a h TYR 49 N 0.12 0.00 0.14 4.88 -0.00 -1.59 -1.30 116.97 119.22 2k9a h TYR 49 Ca 0.14 0.00 -0.21 0.00 -0.00 0.00 0.00 58.73 58.66 2k9a h TYR 49 Cb 0.17 0.00 0.02 0.00 -0.00 0.00 0.00 36.73 36.92 2k9a h TYR 49 CO -0.20 0.00 -0.95 -0.07 -0.00 0.00 0.00 178.16 176.95 2k9a h LEU 50 N 0.00 0.45 -0.33 0.10 3.38 -1.21 -3.35 115.31 114.35 2k9a h LEU 50 Ca 0.00 -0.93 -0.19 0.00 0.09 0.00 0.00 57.88 56.85 2k9a h LEU 50 Cb 0.17 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 40.77 2k9a h LEU 50 CO 0.00 1.44 -0.68 -0.33 0.09 0.00 0.00 178.44 178.96 2k9a h GLU 51 N -0.36 0.64 -5.80 1.13 4.39 -0.97 -3.39 114.58 110.21 2k9a h GLU 51 Ca -0.18 -0.48 -0.40 0.00 0.34 0.00 0.00 59.36 58.64 2k9a h GLU 51 Cb 1.67 0.09 -0.06 0.00 -0.10 0.00 0.00 28.75 30.34 2k9a h GLU 51 CO 0.13 1.10 1.06 -0.06 -1.16 0.00 0.00 179.01 180.08 2k9a s PHE 52 N -3.81 2.07 -0.02 4.33 0.40 -0.53 -4.95 117.98 115.46 2k9a s PHE 52 Ca -0.08 0.09 -0.04 0.00 -0.60 0.00 0.00 56.93 56.30 2k9a s PHE 52 Cb 0.10 -4.25 -0.04 0.00 0.51 0.00 0.00 43.02 39.33 2k9a s PHE 52 CO 0.87 -1.74 0.20 -1.21 0.70 0.00 0.00 175.22 174.04 2k9a s GLU 53 N 6.25 3.48 -0.78 0.44 2.02 -1.26 -4.85 118.70 123.99 2k9a s GLU 53 Ca 0.63 -0.22 -0.22 0.00 0.02 0.00 0.00 54.97 55.17 2k9a s GLU 53 Cb -0.04 -3.11 0.08 0.00 0.10 0.00 0.00 34.13 31.16 2k9a s GLU 53 CO -0.01 0.69 1.11 0.34 0.02 0.00 0.00 175.26 177.40 2k9a s ASP 54 N -1.73 6.32 0.35 -0.19 2.15 -1.26 -4.97 116.67 117.34 2k9a s ASP 54 Ca 0.25 -1.22 0.07 0.00 0.43 0.00 0.00 52.55 52.08 2k9a s ASP 54 Cb -0.13 -2.45 -0.03 0.00 -0.30 0.00 0.00 42.92 40.01 2k9a s ASP 54 CO 0.16 -1.42 0.25 0.42 -0.17 0.00 0.00 175.17 174.40 2k9a s THR 55 N 4.10 0.11 -0.04 1.71 -4.23 -1.26 -5.07 115.64 110.95 2k9a s THR 55 Ca 0.29 -2.00 -0.15 0.00 -1.18 0.00 0.00 61.69 58.65 2k9a s THR 55 Cb -0.11 -2.46 -0.31 0.00 1.34 0.00 0.00 72.50 70.96 2k9a s THR 55 CO 0.04 0.00 0.76 -0.08 -0.54 0.00 0.00 174.62 174.79 2k9a h GLU 56 N 2.07 0.39 -5.73 3.99 4.81 -2.08 -3.44 114.58 114.58 2k9a h GLU 56 Ca -0.27 -0.66 -0.59 0.00 -0.13 0.00 0.00 59.36 57.71 2k9a h GLU 56 Cb 1.24 0.25 -0.09 0.00 0.63 0.00 0.00 28.75 30.78 2k9a h GLU 56 CO 0.40 1.32 0.25 -1.21 -0.73 0.00 0.00 179.01 179.04 2k9a s GLU 57 N -2.54 4.21 0.27 1.92 2.02 -1.26 -5.05 118.70 118.28 2k9a s GLU 57 Ca -0.15 0.76 -0.13 0.00 0.02 0.00 0.00 54.97 55.47 2k9a s GLU 57 Cb 0.04 -3.60 -0.08 0.00 0.10 0.00 0.00 34.13 30.59 2k9a s GLU 57 CO 0.85 -0.33 0.65 0.54 0.02 0.00 0.00 175.26 176.99 2k9a s ASN 58 N 1.25 6.71 0.20 -0.19 2.20 -1.26 -5.09 114.94 118.76 2k9a s ASN 58 Ca 0.32 1.12 0.06 0.00 -0.94 0.00 0.00 52.86 53.42 2k9a s ASN 58 Cb -0.16 -2.31 -0.04 0.00 -2.00 0.00 0.00 41.25 36.75 2k9a s ASN 58 CO 0.10 -0.13 0.12 -0.54 -2.94 0.00 0.00 177.10 173.71 2k9a s LYS 59 N -2.86 2.78 0.00 3.55 3.01 -1.26 -5.01 119.74 119.95 2k9a s LYS 59 Ca 0.50 -1.01 0.29 0.00 -1.01 0.00 0.00 55.97 54.74 2k9a s LYS 59 Cb -0.11 -2.53 1.27 0.00 -1.01 0.00 0.00 37.83 35.45 2k9a s LYS 59 CO 0.19 0.44 1.94 1.28 0.51 0.00 0.00 175.35 179.71 2k9a n LEU 60 N -0.62 0.02 0.17 3.17 4.77 -1.26 -3.41 117.00 119.84 2k9a n LEU 60 Ca -0.08 0.44 0.13 0.00 -0.03 0.00 0.00 56.01 56.47 2k9a n LEU 60 Cb 0.56 -0.45 0.60 0.00 -2.33 0.00 0.00 43.42 41.80 2k9a n LEU 60 CO 0.42 0.00 0.88 -0.29 -1.33 0.00 0.00 177.39 177.08 2k9a h ILE 61 N 0.01 0.00 0.00 -0.08 6.09 -2.02 -2.11 117.51 119.40 2k9a h ILE 61 Ca 0.00 -0.15 -0.01 0.00 -1.37 0.00 0.00 64.86 63.33 2k9a h ILE 61 Cb 0.46 0.82 -0.00 0.00 0.47 0.00 0.00 36.82 38.57 2k9a h ILE 61 CO 0.00 0.00 -0.05 1.88 -3.07 0.00 0.00 178.15 176.91 2k9a h TYR 62 N 0.00 0.00 0.08 2.19 0.05 -1.99 -2.84 116.97 114.47 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 0.21 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.95 2k9a h TYR 62 CO 0.00 0.05 -0.04 1.15 -1.05 0.00 0.00 178.16 178.27 2k9a h THR 63 N 0.00 1.13 -0.59 -2.88 2.02 -1.65 -2.46 112.91 108.47 2k9a h THR 63 Ca -0.00 -1.39 -0.05 0.00 0.77 0.00 0.00 66.41 65.74 2k9a h THR 63 Cb 0.60 1.94 -0.02 0.00 -1.74 0.00 0.00 68.15 68.92 2k9a h THR 63 CO 0.01 0.31 0.17 1.55 0.37 0.00 0.00 175.52 177.92 2k9a h PRO 64 N -0.82 0.93 -0.58 6.66 0.13 -1.72 -2.47 132.00 134.14 2k9a h PRO 64 Ca -0.01 -0.21 -0.01 0.00 -0.87 0.00 0.00 66.00 64.90 2k9a h PRO 64 Cb 0.59 -0.13 -0.03 0.00 0.13 0.00 0.00 31.00 31.57 2k9a h PRO 64 CO 0.02 0.84 0.33 0.82 -0.23 0.00 0.00 178.00 179.78 2k9a h ILE 65 N 0.84 1.18 -0.71 -3.56 2.04 -1.62 -2.27 117.51 113.42 2k9a h ILE 65 Ca 0.19 -0.45 0.00 0.00 1.00 0.00 0.00 64.86 65.60 2k9a h ILE 65 Cb 0.31 0.43 -0.03 0.00 -0.74 0.00 0.00 36.82 36.79 2k9a h ILE 65 CO -0.00 0.20 0.45 0.15 0.00 0.00 0.00 178.15 178.95 2k9a h PHE 66 N 0.78 0.90 -0.43 1.37 3.57 -1.28 -1.66 116.94 120.19 2k9a h PHE 66 Ca 0.20 0.01 -0.06 0.00 3.53 0.00 0.00 57.97 61.66 2k9a h PHE 66 Cb 0.03 -0.30 -0.02 0.00 2.79 0.00 0.00 35.95 38.44 2k9a h PHE 66 CO -0.01 0.58 0.01 -0.91 -2.23 0.00 0.00 178.31 175.75 2k9a h ASN 67 N 0.96 0.65 -0.31 0.41 2.35 -0.95 -2.05 115.58 116.65 2k9a h ASN 67 Ca 0.26 -0.14 -0.09 0.00 -0.55 0.00 0.00 56.30 55.78 2k9a h ASN 67 Cb -0.09 -0.17 -0.02 0.00 0.05 0.00 0.00 38.32 38.09 2k9a h ASN 67 CO -0.05 0.72 -0.11 -0.08 -1.65 0.00 0.00 177.43 176.26 2k9a h GLU 68 N 0.65 0.73 -0.23 0.81 4.81 -0.82 0.25 114.58 120.77 2k9a h GLU 68 Ca 0.13 -0.23 -0.07 0.00 -0.13 0.00 0.00 59.36 59.06 2k9a h GLU 68 Cb 0.39 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 29.70 2k9a h GLU 68 CO 0.01 0.81 -0.15 -0.92 -0.73 0.00 0.00 179.01 178.03 2k9a h TYR 69 N 0.66 0.59 0.00 0.92 5.03 -1.07 -0.05 116.97 123.05 2k9a h TYR 69 Ca 0.11 -0.16 -0.09 0.00 2.58 0.00 0.00 58.73 61.18 2k9a h TYR 69 Cb 0.56 -0.13 -0.01 0.00 1.55 0.00 0.00 36.73 38.70 2k9a h TYR 69 CO 0.03 0.80 -0.43 0.82 -1.32 0.00 0.00 178.16 178.06 2k9a h ILE 70 N 0.21 1.16 0.23 1.81 1.08 -1.27 0.56 117.51 121.29 2k9a h ILE 70 Ca 0.05 -1.56 -0.30 0.00 -0.39 0.00 0.00 64.86 62.65 2k9a h ILE 70 Cb 0.67 1.88 0.03 0.00 -3.07 0.00 0.00 36.82 36.33 2k9a h ILE 70 CO 0.04 0.42 -1.32 -1.28 -0.69 0.00 0.00 178.15 175.32 2k9a h SER 71 N 0.00 0.75 0.00 1.72 0.87 -0.84 -3.30 113.55 112.76 2k9a h SER 71 Ca -0.00 -0.93 0.00 0.00 -1.23 0.00 0.00 61.79 59.63 2k9a h SER 71 Cb 0.84 -0.25 0.00 0.00 -0.44 0.00 0.00 62.40 62.56 2k9a h SER 71 CO 0.06 1.64 -0.36 0.25 -0.53 0.00 0.00 176.83 177.88 2k9a h LEU 72 N 0.01 0.00 0.93 2.23 5.85 -0.99 -3.34 115.31 120.01 2k9a h LEU 72 Ca -0.23 0.00 -0.05 0.00 0.84 0.00 0.00 57.88 58.44 2k9a h LEU 72 Cb 2.04 0.00 0.01 0.00 0.37 0.00 0.00 40.66 43.08 2k9a h LEU 72 CO 0.24 0.57 -0.46 0.58 -0.34 0.00 0.00 178.44 179.04 2k9a h VAL 73 N -0.77 0.00 -0.81 1.05 2.07 -1.06 0.43 116.25 117.16 2k9a h VAL 73 Ca 0.00 0.00 0.14 0.00 0.82 0.00 0.00 66.70 67.66 2k9a h VAL 73 Cb 0.36 0.00 -0.09 0.00 -1.52 0.00 0.00 31.29 30.04 2k9a h VAL 73 CO 0.00 0.00 0.39 -0.08 0.02 0.00 0.00 177.57 177.90 2k9a h GLU 74 N -1.26 0.56 0.00 1.57 4.81 -1.57 0.14 114.58 118.82 2k9a h GLU 74 Ca -0.13 -0.03 -0.03 0.00 -0.13 0.00 0.00 59.36 59.04 2k9a h GLU 74 Cb 0.97 -0.13 -0.00 0.00 0.63 0.00 0.00 28.75 30.22 2k9a h GLU 74 CO 0.20 0.37 -0.16 0.87 -0.73 0.00 0.00 179.01 179.56 2k9a h LYS 75 N 0.57 0.00 -0.45 1.92 1.57 -1.61 -2.79 116.57 115.79 2k9a h LYS 75 Ca 0.44 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 59.18 2k9a h LYS 75 Cb 0.61 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.90 2k9a h LYS 75 CO -0.36 0.16 0.15 -0.92 -0.57 0.00 0.00 179.45 177.91 2k9a h TYR 76 N 0.00 0.71 -0.05 -1.35 3.20 0.27 -0.73 116.97 119.02 2k9a h TYR 76 Ca -0.00 -0.07 -0.12 0.00 3.14 0.00 0.00 58.73 61.68 2k9a h TYR 76 Cb 0.94 -0.21 0.01 0.00 1.54 0.00 0.00 36.73 39.01 2k9a h TYR 76 CO 0.00 0.64 -0.43 0.82 -1.64 0.00 0.00 178.16 177.55 2k9a h ILE 77 N 0.58 1.42 -0.40 1.81 2.04 -1.46 -2.71 117.51 118.79 2k9a h ILE 77 Ca 0.14 -1.86 0.05 0.00 1.00 0.00 0.00 64.86 64.19 2k9a h ILE 77 Cb 0.26 2.41 -0.04 0.00 -0.74 0.00 0.00 36.82 38.70 2k9a h ILE 77 CO -0.01 0.54 0.14 -0.08 0.00 0.00 0.00 178.15 178.74 2k9a h GLU 78 N -0.11 0.29 -0.10 2.37 4.81 -1.45 -1.18 114.58 119.20 2k9a h GLU 78 Ca -0.04 -0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 59.16 2k9a h GLU 78 Cb 1.10 -0.07 -0.00 0.00 0.63 0.00 0.00 28.75 30.41 2k9a h GLU 78 CO 0.09 0.19 0.03 0.93 -0.73 0.00 0.00 179.01 179.52 2k9a h GLU 79 N 0.30 0.16 -0.23 1.92 4.39 -1.21 -1.26 114.58 118.66 2k9a h GLU 79 Ca 0.18 -0.04 0.05 0.00 0.34 0.00 0.00 59.36 59.90 2k9a h GLU 79 Cb 0.16 -0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 28.78 2k9a h GLU 79 CO -0.19 0.33 0.16 1.96 -1.16 0.00 0.00 179.01 180.12 2k9a h GLN 80 N -0.03 0.07 0.12 2.33 1.08 -1.24 -1.57 115.11 115.86 2k9a h GLN 80 Ca 0.03 -0.00 -0.30 0.00 -1.45 0.00 0.00 58.65 56.93 2k9a h GLN 80 Cb 0.24 -0.02 0.03 0.00 -0.05 0.00 0.00 27.48 27.68 2k9a h GLN 80 CO -0.00 0.05 -1.24 -0.07 -0.95 0.00 0.00 178.83 176.61 2k9a h LEU 81 N 0.07 0.85 -1.61 1.46 3.38 -0.93 -3.25 115.31 115.29 2k9a h LEU 81 Ca 0.11 -0.79 -0.04 0.00 0.09 0.00 0.00 57.88 57.25 2k9a h LEU 81 Cb 0.33 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.81 2k9a h LEU 81 CO -0.01 1.59 -0.18 -0.07 0.09 0.00 0.00 178.44 179.86 2k9a h LEU 82 N 0.27 0.00 -2.38 1.67 3.38 -0.40 -0.92 115.31 116.92 2k9a h LEU 82 Ca -0.19 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.78 2k9a h LEU 82 Cb 1.92 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.67 2k9a h LEU 82 CO 0.24 0.18 0.00 1.56 0.09 0.00 0.00 178.44 180.51 2k9a h GLN 83 N 0.00 0.00 0.00 1.13 4.20 -1.35 -2.80 115.11 116.29 2k9a h GLN 83 Ca -0.00 0.00 -0.06 0.00 0.06 0.00 0.00 58.65 58.65 2k9a h GLN 83 Cb 0.49 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.26 2k9a h GLN 83 CO 0.02 0.00 -1.29 0.54 -0.67 0.00 0.00 178.83 177.44 2k9a n ARG 84 N -2.89 2.38 -3.68 1.46 1.74 -0.88 -4.92 116.66 109.87 2k9a n ARG 84 Ca -0.02 -0.01 -0.30 0.00 -0.77 0.00 0.00 57.85 56.75 2k9a n ARG 84 Cb 0.10 -1.12 -0.14 0.00 -1.02 0.00 0.00 32.46 30.29 2k9a n ARG 84 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 2k9a s ILE 85 N -2.17 0.87 -1.75 0.55 1.09 -0.40 -4.97 121.20 114.41 2k9a s ILE 85 Ca -0.02 -1.75 0.16 0.00 -1.10 0.00 0.00 60.65 57.94 2k9a s ILE 85 Cb 0.02 -1.64 0.38 0.00 -1.06 0.00 0.00 42.46 40.16 2k9a s ILE 85 CO 0.19 -0.79 1.42 -0.81 -0.10 0.00 0.00 174.94 174.85 2k9a n PRO 86 N 4.37 0.39 -0.22 2.79 -0.04 -1.19 -2.02 135.00 139.07 2k9a n PRO 86 Ca 0.03 0.06 0.06 0.00 -0.04 0.00 0.00 63.50 63.61 2k9a n PRO 86 Cb 0.39 -1.50 0.16 0.00 -0.04 0.00 0.00 33.50 32.51 2k9a n PRO 86 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 2k9a n GLU 87 N -1.13 2.69 -2.90 0.54 1.02 -1.26 -5.02 120.64 114.58 2k9a n GLU 87 Ca 0.10 -2.30 -0.36 0.00 -0.02 0.00 0.00 57.16 54.58 2k9a n GLU 87 Cb 0.09 -1.45 -0.06 0.00 -0.02 0.00 0.00 31.44 29.99 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 -1.87 3.66 -0.30 -0.32 5.36 -0.86 -5.05 117.98 118.60 2k9a s PHE 88 Ca 0.27 1.63 0.02 0.00 -0.96 0.00 0.00 56.93 57.89 2k9a s PHE 88 Cb 0.20 -2.80 0.09 0.00 -0.34 0.00 0.00 43.02 40.16 2k9a s PHE 88 CO 0.09 0.25 0.02 1.21 -1.46 0.00 0.00 175.22 175.33 2k9a s ASN 89 N -1.65 4.41 0.49 6.13 3.04 -1.26 -4.97 114.94 121.13 2k9a s ASN 89 Ca 0.48 -1.78 0.18 0.00 0.04 0.00 0.00 52.86 51.78 2k9a s ASN 89 Cb -0.17 -1.38 1.21 0.00 -1.54 0.00 0.00 41.25 39.36 2k9a s ASN 89 CO 0.22 -0.34 2.06 -0.03 -3.04 0.00 0.00 177.10 175.98 2k9a h MET 90 N 7.79 0.00 0.04 0.43 1.85 -1.96 0.12 114.93 123.19 2k9a h MET 90 Ca -0.10 0.00 -0.00 0.00 -0.61 0.00 0.00 59.70 58.98 2k9a h MET 90 Cb 1.03 0.00 0.00 0.00 0.43 0.00 0.00 31.60 33.06 2k9a h MET 90 CO 0.48 0.12 -0.02 0.00 -0.40 0.00 0.00 176.91 177.09 2k9a h ALA 91 N 1.88 -0.05 0.00 0.39 0.00 -2.00 -2.46 119.26 117.03 2k9a h ALA 91 Ca -0.00 -0.31 -0.05 0.00 0.00 0.00 0.00 54.91 54.55 2k9a h ALA 91 Cb 0.22 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 2k9a h ALA 91 CO 0.02 -0.20 -0.24 0.00 0.00 0.00 0.00 179.25 178.82 2k9a h ALA 92 N 0.19 1.18 -0.02 0.00 0.00 -1.94 -2.76 119.26 115.91 2k9a h ALA 92 Ca -0.00 -0.22 -0.02 0.00 0.00 0.00 0.00 54.91 54.66 2k9a h ALA 92 Cb 0.63 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.38 2k9a h ALA 92 CO 0.01 0.30 -0.07 0.35 0.00 0.00 0.00 179.25 179.84 2k9a h PHE 93 N 0.00 0.12 -0.34 0.00 3.57 -1.00 -2.67 116.94 116.62 2k9a h PHE 93 Ca -0.00 -0.05 0.00 0.00 3.53 0.00 0.00 57.97 61.45 2k9a h PHE 93 Cb 0.60 -0.02 -0.02 0.00 2.79 0.00 0.00 35.95 39.31 2k9a h PHE 93 CO 0.00 0.68 0.22 1.79 -2.23 0.00 0.00 178.31 178.77 2k9a h THR 94 N -0.48 1.10 -0.16 4.41 1.35 -1.37 0.22 112.91 117.98 2k9a h THR 94 Ca -0.00 -0.20 0.03 0.00 -0.55 0.00 0.00 66.41 65.69 2k9a h THR 94 Cb 0.68 0.62 -0.03 0.00 -1.73 0.00 0.00 68.15 67.69 2k9a h THR 94 CO 0.01 0.10 -0.02 0.71 -0.25 0.00 0.00 175.52 176.07 2k9a h THR 95 N 0.46 0.86 0.00 6.82 1.35 -1.57 -1.69 112.91 119.13 2k9a h THR 95 Ca 0.12 -0.01 -0.07 0.00 -0.55 0.00 0.00 66.41 65.90 2k9a h THR 95 Cb -0.03 0.83 -0.01 0.00 -1.73 0.00 0.00 68.15 67.21 2k9a h THR 95 CO -0.03 0.01 -0.36 0.74 -0.25 0.00 0.00 175.52 175.63 2k9a h THR 96 N 0.03 1.19 -0.66 6.82 2.02 -1.28 -2.79 112.91 118.24 2k9a h THR 96 Ca 0.08 -1.25 -0.04 0.00 0.77 0.00 0.00 66.41 65.97 2k9a h THR 96 Cb 0.11 1.68 -0.03 0.00 -1.74 0.00 0.00 68.15 68.17 2k9a h THR 96 CO -0.15 0.35 0.27 0.25 0.37 0.00 0.00 175.52 176.61 2k9a h LEU 97 N 0.00 0.89 -1.37 2.58 6.46 0.32 -2.32 115.31 121.86 2k9a h LEU 97 Ca -0.00 -0.12 0.20 0.00 -0.12 0.00 0.00 57.88 57.83 2k9a h LEU 97 Cb 0.66 -0.23 -0.08 0.00 -0.73 0.00 0.00 40.66 40.28 2k9a h LEU 97 CO 0.05 0.80 0.61 1.56 -0.62 0.00 0.00 178.44 180.83 2k9a h GLN 98 N 0.96 0.49 -0.01 1.25 4.20 -1.09 0.15 115.11 121.06 2k9a h GLN 98 Ca 0.22 -0.03 -0.16 0.00 0.06 0.00 0.00 58.65 58.75 2k9a h GLN 98 Cb 0.18 -0.11 0.01 0.00 0.30 0.00 0.00 27.48 27.86 2k9a h GLN 98 CO -0.02 0.33 -0.60 0.45 -0.67 0.00 0.00 178.83 178.31 2k9a h HIS 99 N 0.51 0.63 0.00 2.96 3.86 -1.55 -3.09 115.15 118.46 2k9a h HIS 99 Ca 0.50 -0.33 0.00 0.00 -1.16 0.00 0.00 60.37 59.38 2k9a h HIS 99 Cb 1.11 -0.07 0.00 0.00 1.06 0.00 0.00 27.41 29.50 2k9a h HIS 99 CO -0.00 1.15 0.00 0.72 0.86 0.00 0.00 177.93 180.66 2k9a n HIS 100 N -4.21 0.00 0.29 2.45 8.25 -0.17 -2.60 115.22 119.23 2k9a n HIS 100 Ca -0.10 0.00 0.10 0.00 -0.26 0.00 0.00 57.72 57.46 2k9a n HIS 100 Cb 0.67 -0.20 0.47 0.00 1.12 0.00 0.00 29.99 32.06 2k9a n HIS 100 CO 0.00 0.00 0.00 1.17 0.64 0.00 0.00 176.34 178.15 2k9a n LYS 101 N -1.20 0.14 0.18 -0.41 4.81 0.36 -0.44 118.16 121.61 2k9a n LYS 101 Ca 0.09 0.49 0.12 0.00 -0.87 0.00 0.00 58.31 58.14 2k9a n LYS 101 Cb 0.10 -1.84 0.19 0.00 0.02 0.00 0.00 35.03 33.50 2k9a n LYS 101 CO 0.00 0.00 0.00 0.22 1.17 0.00 0.00 177.40 178.79 2k9a h ASP 102 N 0.00 0.00 0.00 3.14 3.58 -1.72 -3.40 116.42 118.02 2k9a h ASP 102 Ca 0.00 -0.01 -0.09 0.00 0.42 0.00 0.00 57.03 57.35 2k9a h ASP 102 Cb 0.20 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.24 2k9a h ASP 102 CO 0.00 0.00 -1.07 -1.84 -2.88 0.00 0.00 179.24 173.45 2k9a n GLU 103 N -2.86 0.15 -0.69 0.28 0.28 -0.51 -5.05 120.64 112.23 2k9a n GLU 103 Ca 0.04 0.06 -0.31 0.00 -0.16 0.00 0.00 57.16 56.79 2k9a n GLU 103 Cb 0.51 -0.75 0.16 0.00 1.43 0.00 0.00 31.44 32.79 2k9a n GLU 103 CO 0.00 0.00 0.00 1.55 -0.16 0.00 0.00 177.13 178.52 2k9a n VAL 104 N -3.45 0.00 -1.57 3.84 3.14 0.42 -4.79 118.33 115.92 2k9a n VAL 104 Ca -0.11 -0.07 -0.42 0.00 -2.96 0.00 0.00 64.34 60.78 2k9a n VAL 104 Cb 0.47 -0.90 -0.04 0.00 -1.06 0.00 0.00 33.84 32.31 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 -4.15 1.41 0.17 1.55 0.00 -1.26 -4.81 120.51 113.42 2k9a n ALA 105 Ca 0.10 -0.43 0.03 0.00 0.00 0.00 0.00 53.44 53.14 2k9a n ALA 105 Cb 0.53 -2.96 0.39 0.00 0.00 0.00 0.00 19.45 17.41 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 16.07 0.10 1.15 0.00 0.00 -1.87 -2.61 103.07 115.91 2k9a h GLY 106 Ca -0.34 -0.07 -0.06 0.00 0.00 0.00 0.00 47.33 46.86 2k9a h GLY 106 CO 1.03 0.07 0.18 -0.55 0.00 0.00 0.00 176.54 177.27 2k9a h ASP 107 N 0.09 0.99 -0.00 0.19 3.32 -1.97 0.13 116.42 119.17 2k9a h ASP 107 Ca 0.01 -0.19 -0.00 0.00 0.02 0.00 0.00 57.03 56.87 2k9a h ASP 107 Cb 0.50 -0.26 0.00 0.00 0.22 0.00 0.00 39.33 39.79 2k9a h ASP 107 CO 0.04 0.94 -0.00 0.40 -1.72 0.00 0.00 179.24 178.89 2k9a h ILE 108 N 1.01 1.48 0.00 0.35 2.04 -1.89 -3.20 117.51 117.29 2k9a h ILE 108 Ca 0.22 -1.41 -0.05 0.00 1.00 0.00 0.00 64.86 64.62 2k9a h ILE 108 Cb 0.33 2.43 -0.01 0.00 -0.74 0.00 0.00 36.82 38.83 2k9a h ILE 108 CO -0.00 0.37 -0.26 0.15 0.00 0.00 0.00 178.15 178.40 2k9a h PHE 109 N -0.59 0.00 -1.08 1.37 3.57 -1.45 -2.71 116.94 116.06 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 0.60 0.00 -0.04 0.00 2.79 0.00 0.00 35.95 39.30 2k9a h PHE 109 CO 0.13 0.26 0.81 0.22 -2.23 0.00 0.00 178.31 177.51 2k9a h ASP 110 N 0.00 0.00 0.05 0.41 3.58 -0.73 0.61 116.42 120.33 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 0.49 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.54 2k9a h ASP 110 CO 0.03 0.00 -0.02 -0.03 -2.88 0.00 0.00 179.24 176.34 2k9a h MET 111 N 0.00 -0.06 0.00 0.28 4.05 -1.62 -3.17 114.93 114.41 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 2.13 0.01 -0.00 0.00 -0.80 0.00 0.00 31.60 32.94 2k9a h MET 111 CO -0.01 0.51 -0.10 -0.07 0.23 0.00 0.00 176.91 177.48 2k9a h LEU 112 N -0.69 0.00 -1.90 3.39 3.38 -0.74 -2.80 115.31 115.95 2k9a h LEU 112 Ca -0.01 0.00 0.20 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 0.61 0.25 0.09 0.00 0.00 178.44 179.50 2k9a h LEU 113 N 0.00 0.00 0.00 1.67 5.85 0.07 0.63 115.31 123.53 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 -3.89 0.00 -0.00 1.05 -2.24 -1.06 -2.18 114.28 105.96 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 -0.74 0.28 0.00 -2.10 0.00 0.00 70.33 68.63 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 0.55 0.00 4.78 0.04 -1.14 -3.36 116.94 117.80 2k9a h PHE 115 Ca 0.00 -0.06 0.00 0.00 2.80 0.00 0.00 57.97 60.71 2k9a h PHE 115 Cb 0.00 -0.15 0.00 0.00 2.20 0.00 0.00 35.95 38.00 2k9a h PHE 115 CO 0.00 0.56 0.00 0.25 -0.60 0.00 0.00 178.31 178.52 2k9a n THR 116 N -4.26 0.00 -3.14 -1.55 -2.24 -1.09 -4.99 114.28 97.00 2k9a n THR 116 Ca 0.01 0.00 -0.45 0.00 -2.27 0.00 0.00 64.05 61.34 2k9a n THR 116 Cb 0.27 1.07 -0.02 0.00 -2.10 0.00 0.00 70.33 69.55 2k9a n THR 116 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 2k9a s ASP 117 N 0.00 6.80 0.60 3.42 1.11 -0.93 -4.85 116.67 122.82 2k9a s ASP 117 Ca 0.00 -2.57 0.32 0.00 0.18 0.00 0.00 52.55 50.48 2k9a s ASP 117 Cb 0.00 -2.30 1.90 0.00 1.07 0.00 0.00 42.92 43.59 2k9a s ASP 117 CO 0.00 -0.74 2.26 0.15 1.18 0.00 0.00 175.17 178.01 2k9a h PHE 118 N 8.00 0.00 -0.51 4.23 3.57 -1.88 -1.58 116.94 128.77 2k9a h PHE 118 Ca 0.15 0.00 -0.04 0.00 3.53 0.00 0.00 57.97 61.62 2k9a h PHE 118 Cb 1.00 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 39.72 2k9a h PHE 118 CO 1.06 0.01 0.18 1.25 -2.23 0.00 0.00 178.31 178.58 2k9a h LEU 119 N 0.00 0.73 -0.60 0.59 7.12 -1.97 -1.67 115.31 119.50 2k9a h LEU 119 Ca -0.00 -0.19 -0.11 0.00 0.13 0.00 0.00 57.88 57.71 2k9a h LEU 119 Cb 0.05 -0.19 -0.02 0.00 -0.53 0.00 0.00 40.66 39.97 2k9a h LEU 119 CO 0.00 0.73 -0.50 0.00 -0.13 0.00 0.00 178.44 178.54 2k9a h ALA 120 N 1.03 0.85 0.35 1.25 0.00 -1.69 -2.49 119.26 118.56 2k9a h ALA 120 Ca 0.17 -0.46 -0.02 0.00 0.00 0.00 0.00 54.91 54.60 2k9a h ALA 120 Cb 0.25 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.96 2k9a h ALA 120 CO -0.01 0.63 -0.17 0.35 0.00 0.00 0.00 179.25 180.05 2k9a h PHE 121 N 0.00 -0.43 -0.57 0.00 3.57 -0.99 0.12 116.94 118.64 2k9a h PHE 121 Ca -0.01 -0.01 -0.06 0.00 3.53 0.00 0.00 57.97 61.42 2k9a h PHE 121 Cb 1.13 0.14 -0.02 0.00 2.79 0.00 0.00 35.95 39.99 2k9a h PHE 121 CO 0.00 -0.13 0.09 -0.22 -2.23 0.00 0.00 178.31 175.82 2k9a h LYS 122 N -0.71 0.90 0.00 1.11 3.64 -1.37 -2.38 116.57 117.76 2k9a h LYS 122 Ca -0.05 -0.21 -0.10 0.00 -1.27 0.00 0.00 60.65 59.02 2k9a h LYS 122 Cb 0.49 -0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 32.18 2k9a h LYS 122 CO 0.08 0.84 -0.46 1.49 -2.27 0.00 0.00 179.45 179.13 2k9a h GLU 123 N 0.86 0.00 -0.16 1.90 4.57 -1.41 -1.91 114.58 118.43 2k9a h GLU 123 Ca 0.18 0.00 -0.03 0.00 -1.18 0.00 0.00 59.36 58.33 2k9a h GLU 123 Cb 0.37 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 28.96 2k9a h GLU 123 CO 0.01 0.46 -0.01 1.98 -1.18 0.00 0.00 179.01 180.26 2k9a h MET 124 N 0.00 0.29 -0.14 1.92 4.05 -0.23 -1.92 114.93 118.90 2k9a h MET 124 Ca -0.00 -0.10 -0.08 0.00 -0.28 0.00 0.00 59.70 59.23 2k9a h MET 124 Cb 0.88 -0.02 -0.00 0.00 -0.80 0.00 0.00 31.60 31.65 2k9a h MET 124 CO 0.06 0.53 -0.23 0.74 0.23 0.00 0.00 176.91 178.24 2k9a h PHE 125 N 0.02 0.50 -0.69 1.39 0.04 -1.46 -2.49 116.94 114.25 2k9a h PHE 125 Ca 0.04 -0.17 0.09 0.00 2.80 0.00 0.00 57.97 60.73 2k9a h PHE 125 Cb 0.41 -0.10 -0.04 0.00 2.20 0.00 0.00 35.95 38.42 2k9a h PHE 125 CO 0.04 0.85 0.46 -0.07 -0.60 0.00 0.00 178.31 178.99 2k9a h LEU 126 N 0.01 0.53 -0.27 1.54 4.07 -1.39 -0.83 115.31 118.98 2k9a h LEU 126 Ca 0.01 0.01 -0.15 0.00 0.08 0.00 0.00 57.88 57.83 2k9a h LEU 126 Cb 0.80 -0.10 -0.00 0.00 1.08 0.00 0.00 40.66 42.44 2k9a h LEU 126 CO 0.05 0.33 -0.41 -0.78 -1.08 0.00 0.00 178.44 176.55 2k9a h ASP 127 N 0.60 0.83 -0.66 -0.43 1.82 -1.28 -2.16 116.42 115.12 2k9a h ASP 127 Ca 0.32 -0.51 -0.01 0.00 -0.39 0.00 0.00 57.03 56.43 2k9a h ASP 127 Cb 0.44 -0.24 -0.03 0.00 0.68 0.00 0.00 39.33 40.19 2k9a h ASP 127 CO -0.11 1.18 0.37 0.22 -1.61 0.00 0.00 179.24 179.29 2k9a h TYR 128 N 0.50 0.92 -0.21 0.28 3.20 -0.78 -2.23 116.97 118.67 2k9a h TYR 128 Ca 0.03 -0.02 -0.16 0.00 3.14 0.00 0.00 58.73 61.72 2k9a h TYR 128 Cb 1.00 -0.30 -0.01 0.00 1.54 0.00 0.00 36.73 38.97 2k9a h TYR 128 CO 0.08 0.65 -0.52 -0.09 -1.64 0.00 0.00 178.16 176.64 2k9a h ARG 129 N 0.95 0.58 -0.66 1.82 2.43 -1.13 -3.07 114.38 115.30 2k9a h ARG 129 Ca 0.24 -0.35 -0.01 0.00 -0.81 0.00 0.00 59.98 59.05 2k9a h ARG 129 Cb 0.03 0.03 -0.03 0.00 -0.42 0.00 0.00 29.97 29.58 2k9a h ARG 129 CO -0.04 0.96 0.37 0.00 -1.51 0.00 0.00 179.97 179.75 2k9a h ALA 130 N 0.97 1.41 0.00 2.80 0.00 -0.80 -1.52 119.26 122.11 2k9a h ALA 130 Ca 0.02 -0.10 -0.02 0.00 0.00 0.00 0.00 54.91 54.81 2k9a h ALA 130 Cb 1.06 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 18.58 2k9a h ALA 130 CO 0.10 0.49 -0.09 1.49 0.00 0.00 0.00 179.25 181.24 2k9a h GLU 131 N 0.92 0.00 -0.26 0.00 4.57 -1.36 -1.96 114.58 116.49 2k9a h GLU 131 Ca 0.24 0.00 -0.13 0.00 -1.18 0.00 0.00 59.36 58.29 2k9a h GLU 131 Cb 0.01 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 28.59 2k9a h GLU 131 CO -0.04 0.09 -0.37 0.87 -1.18 0.00 0.00 179.01 178.38 2k9a h LYS 132 N 0.00 0.60 0.00 1.92 1.79 -1.31 -2.48 116.57 117.08 2k9a h LYS 132 Ca -0.00 -0.29 0.00 0.00 -2.18 0.00 0.00 60.65 58.18 2k9a h LYS 132 Cb 0.17 -0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.82 2k9a h LYS 132 CO 0.01 0.88 0.00 0.39 -1.08 0.00 0.00 179.45 179.65 2k9a n GLU 133 N -4.05 1.00 0.00 3.15 1.02 -0.75 -4.90 120.64 116.10 2k9a n GLU 133 Ca -0.01 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.13 2k9a n GLU 133 Cb 0.50 -1.47 0.00 0.00 -0.02 0.00 0.00 31.44 30.45 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 0.96 3.09 1.40 0.62 0.00 -0.94 -4.96 105.19 105.36 2k9a n GLY 134 Ca 0.23 -0.85 0.00 0.00 0.00 0.00 0.00 46.02 45.39 2k9a n GLY 134 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2k9a n ARG 135 N 0.00 -3.90 0.00 1.61 0.63 -1.13 -4.81 116.66 109.06 2k9a n ARG 135 Ca 0.00 2.82 0.00 0.00 -0.92 0.00 0.00 57.85 59.75 2k9a n ARG 135 Cb 0.00 -3.10 0.00 0.00 0.45 0.00 0.00 32.46 29.81 2k9a n ARG 135 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53