#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 1.59 1.00 3.17 2.15 -1.26 -5.15 116.67 118.17 2k9a s ASP 2 Ca 0.00 -0.12 -0.13 0.00 0.43 0.00 0.00 52.55 52.72 2k9a s ASP 2 Cb 0.00 -0.50 0.18 0.00 -0.30 0.00 0.00 42.92 42.30 2k9a s ASP 2 CO 0.00 -0.17 1.08 0.00 -0.17 0.00 0.00 175.17 175.92 2k9a n ALA 3 N 4.98 -1.24 1.28 3.66 0.00 -1.26 -4.96 120.51 122.98 2k9a n ALA 3 Ca -0.10 -1.42 0.14 0.00 0.00 0.00 0.00 53.44 52.07 2k9a n ALA 3 Cb 0.50 -0.07 0.65 0.00 0.00 0.00 0.00 19.45 20.53 2k9a n ALA 3 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.50 178.97 2k9a n LEU 4 N 0.00 0.16 0.00 0.00 -0.00 -1.26 -5.03 117.00 110.87 2k9a n LEU 4 Ca 0.14 0.24 0.06 0.00 -0.00 0.00 0.00 56.01 56.45 2k9a n LEU 4 Cb 0.47 -0.31 -0.01 0.00 -0.00 0.00 0.00 43.42 43.57 2k9a n LEU 4 CO 0.34 0.03 -0.08 -0.62 -0.00 0.00 0.00 177.39 177.07 2k9a n GLU 5 N -1.27 -0.83 -3.57 1.47 1.02 -1.26 -4.99 120.64 111.22 2k9a n GLU 5 Ca 0.12 0.54 -0.11 0.00 -0.02 0.00 0.00 57.16 57.69 2k9a n GLU 5 Cb 0.28 -1.01 -0.03 0.00 -0.02 0.00 0.00 31.44 30.66 2k9a n GLU 5 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 2k9a s GLY 6 N -5.81 -0.39 -0.48 0.62 0.00 -1.26 -5.12 107.32 94.88 2k9a s GLY 6 Ca 0.00 0.15 -0.23 0.00 0.00 0.00 0.00 44.72 44.64 2k9a s GLY 6 CO 0.00 -0.09 0.79 1.85 0.00 0.00 0.00 173.10 175.64 2k9a s GLU 7 N -3.80 3.34 -0.27 2.90 2.56 -1.26 -5.00 118.70 117.16 2k9a s GLU 7 Ca 0.03 -0.27 -0.00 0.00 0.00 0.00 0.00 54.97 54.73 2k9a s GLU 7 Cb -0.00 -3.99 0.08 0.00 2.00 0.00 0.00 34.13 32.22 2k9a s GLU 7 CO -0.10 -1.21 0.04 0.45 -0.56 0.00 0.00 175.26 173.88 2k9a s SER 8 N 2.36 3.90 0.00 -1.70 0.15 -1.26 -4.92 113.70 112.23 2k9a s SER 8 Ca 0.27 -1.44 0.00 0.00 0.70 0.00 0.00 55.95 55.48 2k9a s SER 8 Cb -0.13 -1.01 0.00 0.00 -1.71 0.00 0.00 66.02 63.16 2k9a s SER 8 CO 0.20 -0.34 0.00 0.33 1.20 0.00 0.00 173.24 174.63 2k9a n PHE 9 N 4.75 0.00 -2.31 3.44 7.35 -1.26 -5.01 117.46 124.42 2k9a n PHE 9 Ca -0.05 0.00 -0.42 0.00 -0.76 0.00 0.00 57.45 56.21 2k9a n PHE 9 Cb 0.43 0.00 -0.02 0.00 0.35 0.00 0.00 39.48 40.24 2k9a n PHE 9 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 2k9a s ALA 10 N -1.49 2.94 0.19 3.13 0.00 -1.26 -4.96 121.76 120.30 2k9a s ALA 10 Ca 0.00 -0.26 0.03 0.00 0.00 0.00 0.00 51.96 51.74 2k9a s ALA 10 Cb 0.00 -4.00 -0.01 0.00 0.00 0.00 0.00 23.12 19.11 2k9a s ALA 10 CO 0.00 -2.61 0.12 1.28 0.00 0.00 0.00 175.76 174.56 2k9a n LEU 11 N 9.30 0.00 0.06 0.00 4.77 -1.26 -5.07 117.00 124.80 2k9a n LEU 11 Ca 0.16 -1.67 -0.13 0.00 -0.03 0.00 0.00 56.01 54.34 2k9a n LEU 11 Cb 0.48 0.76 -0.08 0.00 -2.33 0.00 0.00 43.42 42.25 2k9a n LEU 11 CO 0.70 -0.27 0.69 0.28 -1.33 0.00 0.00 177.39 177.46 2k9a h SER 12 N 1.00 -0.13 -3.15 -1.43 0.02 -2.05 -3.38 113.55 104.43 2k9a h SER 12 Ca -0.14 -0.23 -0.74 0.00 -0.84 0.00 0.00 61.79 59.84 2k9a h SER 12 Cb 0.64 0.03 -0.22 0.00 0.14 0.00 0.00 62.40 62.99 2k9a h SER 12 CO 0.21 0.17 0.21 0.12 -1.14 0.00 0.00 176.83 176.40 2k9a s PHE 13 N -5.04 3.32 0.00 3.45 5.36 -1.26 -4.38 117.98 119.43 2k9a s PHE 13 Ca -0.15 -1.45 0.00 0.00 -0.96 0.00 0.00 56.93 54.37 2k9a s PHE 13 Cb 0.03 -3.97 0.00 0.00 -0.34 0.00 0.00 43.02 38.74 2k9a s PHE 13 CO 0.63 -1.19 0.00 0.45 -1.46 0.00 0.00 175.22 173.65 2k9a n SER 14 N 5.41 0.00 0.00 6.13 2.88 -1.26 -5.00 113.62 121.78 2k9a n SER 14 Ca 0.05 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.59 2k9a n SER 14 Cb 0.45 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.91 2k9a n SER 14 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 2k9a n SER 15 N -0.90 0.00 0.01 -3.46 2.88 -1.26 -4.78 113.62 106.12 2k9a n SER 15 Ca 0.00 0.00 0.18 0.00 -1.33 0.00 0.00 58.87 57.72 2k9a n SER 15 Cb 0.00 -1.00 0.66 0.00 -0.75 0.00 0.00 64.21 63.12 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 2.39 -2.47 -1.46 0.00 -1.94 -0.22 119.26 115.55 2k9a h ALA 16 Ca 0.00 -0.01 -0.58 0.00 0.00 0.00 0.00 54.91 54.32 2k9a h ALA 16 Cb 0.00 0.02 0.12 0.00 0.00 0.00 0.00 17.79 17.93 2k9a h ALA 16 CO 0.00 -0.52 0.31 0.43 0.00 0.00 0.00 179.25 179.47 2k9a n SER 17 N -4.41 1.90 0.18 0.00 7.64 -1.26 -4.67 113.62 113.00 2k9a n SER 17 Ca 0.09 1.10 0.18 0.00 1.01 0.00 0.00 58.87 61.25 2k9a n SER 17 Cb 0.53 -1.41 0.81 0.00 -1.01 0.00 0.00 64.21 63.12 2k9a n SER 17 CO 0.00 0.00 0.00 -2.24 -3.01 0.00 0.00 175.04 169.79 2k9a h ASP 18 N 1.93 0.00 0.41 6.43 2.03 -1.99 -0.01 116.42 125.23 2k9a h ASP 18 Ca -0.45 0.00 -0.02 0.00 -0.73 0.00 0.00 57.03 55.83 2k9a h ASP 18 Cb 1.32 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.82 2k9a h ASP 18 CO 0.59 0.00 -0.20 0.00 -1.03 0.00 0.00 179.24 178.60 2k9a h ALA 19 N 1.70 -0.56 0.03 4.15 0.00 -1.88 -2.72 119.26 119.98 2k9a h ALA 19 Ca 0.11 -0.18 -0.00 0.00 0.00 0.00 0.00 54.91 54.84 2k9a h ALA 19 Cb 0.63 0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.64 2k9a h ALA 19 CO -0.00 -0.60 -0.01 1.49 0.00 0.00 0.00 179.25 180.13 2k9a h GLU 20 N -0.99 -0.04 -0.40 0.00 4.57 -1.66 -2.44 114.58 113.62 2k9a h GLU 20 Ca -0.06 0.00 0.08 0.00 -1.18 0.00 0.00 59.36 58.20 2k9a h GLU 20 Cb 0.55 0.01 -0.09 0.00 -0.16 0.00 0.00 28.75 29.06 2k9a h GLU 20 CO 0.09 0.51 -0.35 0.35 -1.18 0.00 0.00 179.01 178.43 2k9a h PHE 21 N -0.62 -1.00 -0.79 0.92 3.57 0.90 0.28 116.94 120.19 2k9a h PHE 21 Ca -0.00 0.06 0.01 0.00 3.53 0.00 0.00 57.97 61.56 2k9a h PHE 21 Cb 0.57 0.50 -0.04 0.00 2.79 0.00 0.00 35.95 39.77 2k9a h PHE 21 CO 0.12 -0.40 0.52 0.22 -2.23 0.00 0.00 178.31 176.54 2k9a h ASP 22 N -0.27 0.92 -0.50 0.41 1.82 -1.57 -2.40 116.42 114.82 2k9a h ASP 22 Ca 0.16 -0.03 0.06 0.00 -0.39 0.00 0.00 57.03 56.83 2k9a h ASP 22 Cb 0.55 -0.23 -0.05 0.00 0.68 0.00 0.00 39.33 40.28 2k9a h ASP 22 CO -0.55 0.67 0.22 0.00 -1.61 0.00 0.00 179.24 177.97 2k9a h ALA 23 N 1.49 0.63 -0.73 -0.78 0.00 -0.48 -2.02 119.26 117.38 2k9a h ALA 23 Ca 0.29 0.04 -0.02 0.00 0.00 0.00 0.00 54.91 55.22 2k9a h ALA 23 Cb -0.11 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 17.63 2k9a h ALA 23 CO -0.06 -0.15 0.37 0.28 0.00 0.00 0.00 179.25 179.69 2k9a h VAL 24 N 0.43 1.23 -0.76 0.00 2.07 -0.74 -2.55 116.25 115.92 2k9a h VAL 24 Ca 0.23 -0.62 0.13 0.00 0.82 0.00 0.00 66.70 67.27 2k9a h VAL 24 Cb 0.20 0.30 -0.09 0.00 -1.52 0.00 0.00 31.29 30.18 2k9a h VAL 24 CO -0.20 0.26 0.34 0.58 0.02 0.00 0.00 177.57 178.58 2k9a h VAL 25 N 1.01 0.72 0.02 2.57 2.07 -1.03 -0.75 116.25 120.86 2k9a h VAL 25 Ca 0.25 -0.18 -0.00 0.00 0.82 0.00 0.00 66.70 67.59 2k9a h VAL 25 Cb 0.08 0.15 0.00 0.00 -1.52 0.00 0.00 31.29 30.00 2k9a h VAL 25 CO -0.04 0.09 -0.01 1.23 0.02 0.00 0.00 177.57 178.87 2k9a h GLY 26 N 0.52 -0.02 1.18 2.17 0.00 -1.07 -1.73 103.07 104.12 2k9a h GLY 26 Ca 0.41 0.01 0.09 0.00 0.00 0.00 0.00 47.33 47.84 2k9a h GLY 26 CO -0.36 -0.01 0.34 -0.97 0.00 0.00 0.00 176.54 175.54 2k9a h TYR 27 N -0.13 0.29 -0.25 5.60 0.05 -1.10 -1.35 116.97 120.08 2k9a h TYR 27 Ca -0.00 0.01 -0.12 0.00 0.05 0.00 0.00 58.73 58.67 2k9a h TYR 27 Cb 0.13 -0.09 -0.00 0.00 1.01 0.00 0.00 36.73 37.77 2k9a h TYR 27 CO -0.04 0.14 -0.31 -0.07 -1.05 0.00 0.00 178.16 176.84 2k9a h LEU 28 N 0.28 0.70 -1.32 3.88 3.38 -0.75 -3.08 115.31 118.39 2k9a h LEU 28 Ca 0.23 -0.50 0.10 0.00 0.09 0.00 0.00 57.88 57.80 2k9a h LEU 28 Cb 0.53 -0.20 -0.06 0.00 0.09 0.00 0.00 40.66 41.03 2k9a h LEU 28 CO -0.05 1.05 0.53 -0.33 0.09 0.00 0.00 178.44 179.74 2k9a h GLU 29 N 0.35 0.74 -0.20 1.13 5.08 -0.36 0.41 114.58 121.74 2k9a h GLU 29 Ca 0.03 -0.04 -0.06 0.00 -1.00 0.00 0.00 59.36 58.29 2k9a h GLU 29 Cb 0.88 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.95 2k9a h GLU 29 CO 0.07 0.49 -0.13 -0.44 -1.00 0.00 0.00 179.01 178.00 2k9a h ASP 30 N 0.76 0.31 0.31 1.42 3.32 -1.39 -2.34 116.42 118.82 2k9a h ASP 30 Ca 0.38 -0.07 -0.25 0.00 0.02 0.00 0.00 57.03 57.11 2k9a h ASP 30 Cb 0.44 -0.08 0.01 0.00 0.22 0.00 0.00 39.33 39.91 2k9a h ASP 30 CO -0.15 0.47 -1.05 0.40 -1.72 0.00 0.00 179.24 177.19 2k9a h ILE 31 N 0.30 1.38 -0.54 0.35 2.04 -0.92 -2.59 117.51 117.53 2k9a h ILE 31 Ca 0.06 -2.53 -0.05 0.00 1.00 0.00 0.00 64.86 63.34 2k9a h ILE 31 Cb 0.42 2.55 -0.02 0.00 -0.74 0.00 0.00 36.82 39.02 2k9a h ILE 31 CO 0.02 0.76 0.12 0.40 0.00 0.00 0.00 178.15 179.45 2k9a h ILE 32 N 0.23 1.23 -0.48 -0.67 2.04 -0.93 -2.05 117.51 116.89 2k9a h ILE 32 Ca -0.11 -0.85 0.00 0.00 1.00 0.00 0.00 64.86 64.90 2k9a h ILE 32 Cb 1.71 0.69 0.00 0.00 -0.74 0.00 0.00 36.82 38.48 2k9a h ILE 32 CO 0.19 0.31 0.00 0.23 0.00 0.00 0.00 178.15 178.88 2k9a n MET 33 N -4.26 2.17 -2.38 2.37 2.81 -0.90 -4.73 117.12 112.20 2k9a n MET 33 Ca 0.04 -1.81 -0.41 0.00 -1.81 0.00 0.00 57.70 53.71 2k9a n MET 33 Cb 0.24 -1.40 -0.04 0.00 -0.71 0.00 0.00 33.22 31.31 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 -1.08 7.11 0.13 7.83 -1.08 -0.77 -4.95 116.67 123.87 2k9a s ASP 34 Ca 0.34 2.31 -0.18 0.00 -0.52 0.00 0.00 52.55 54.51 2k9a s ASP 34 Cb 0.18 -2.62 -0.03 0.00 -1.46 0.00 0.00 42.92 38.99 2k9a s ASP 34 CO 0.24 -0.30 1.77 0.44 0.52 0.00 0.00 175.17 177.83 2k9a h ASP 35 N 4.45 0.36 0.32 -0.34 3.32 -1.90 -1.70 116.42 120.94 2k9a h ASP 35 Ca -0.46 -0.04 -0.01 0.00 0.02 0.00 0.00 57.03 56.54 2k9a h ASP 35 Cb 1.21 -0.09 -0.00 0.00 0.22 0.00 0.00 39.33 40.67 2k9a h ASP 35 CO 0.70 0.30 -0.05 -0.33 -1.72 0.00 0.00 179.24 178.15 2k9a h GLU 36 N 0.40 0.00 0.11 3.56 3.07 -1.94 -2.19 114.58 117.59 2k9a h GLU 36 Ca 0.11 0.00 -0.21 0.00 -0.50 0.00 0.00 59.36 58.76 2k9a h GLU 36 Cb -0.00 0.00 0.02 0.00 -0.84 0.00 0.00 28.75 27.93 2k9a h GLU 36 CO -0.02 0.05 -0.89 0.35 -1.40 0.00 0.00 179.01 177.09 2k9a h PHE 37 N 0.00 0.70 -0.31 4.33 3.57 -1.60 -2.46 116.94 121.17 2k9a h PHE 37 Ca -0.00 -0.46 -0.06 0.00 3.53 0.00 0.00 57.97 60.99 2k9a h PHE 37 Cb 0.22 -0.05 -0.01 0.00 2.79 0.00 0.00 35.95 38.90 2k9a h PHE 37 CO 0.00 1.32 -0.03 1.96 -2.23 0.00 0.00 178.31 179.33 2k9a h GLN 38 N -0.12 0.57 -0.03 1.11 4.20 -1.03 -0.89 115.11 118.92 2k9a h GLN 38 Ca -0.14 -0.20 -0.00 0.00 0.06 0.00 0.00 58.65 58.37 2k9a h GLN 38 Cb 1.65 -0.04 -0.00 0.00 0.30 0.00 0.00 27.48 29.38 2k9a h GLN 38 CO 0.17 0.73 0.00 1.25 -0.67 0.00 0.00 178.83 180.31 2k9a h LEU 39 N 0.36 0.05 0.16 1.46 5.85 -1.53 -2.35 115.31 119.31 2k9a h LEU 39 Ca 0.08 -0.28 -0.01 0.00 0.84 0.00 0.00 57.88 58.52 2k9a h LEU 39 Cb 0.49 -0.01 0.00 0.00 0.37 0.00 0.00 40.66 41.51 2k9a h LEU 39 CO 0.02 0.32 -0.08 0.25 -0.34 0.00 0.00 178.44 178.61 2k9a h LEU 40 N -0.22 -0.19 -0.47 2.25 6.46 -1.47 0.46 115.31 122.14 2k9a h LEU 40 Ca 0.01 -0.09 0.07 0.00 -0.12 0.00 0.00 57.88 57.75 2k9a h LEU 40 Cb 0.29 0.05 -0.06 0.00 -0.73 0.00 0.00 40.66 40.20 2k9a h LEU 40 CO 0.00 -0.02 0.11 -0.61 -0.62 0.00 0.00 178.44 177.30 2k9a h GLN 41 N -0.34 0.24 -0.20 1.25 5.75 -1.21 -1.74 115.11 118.86 2k9a h GLN 41 Ca -0.02 -0.01 -0.15 0.00 -0.15 0.00 0.00 58.65 58.31 2k9a h GLN 41 Cb 0.27 -0.06 -0.01 0.00 1.07 0.00 0.00 27.48 28.75 2k9a h GLN 41 CO 0.04 0.16 -0.51 -0.09 -2.65 0.00 0.00 178.83 175.78 2k9a h ARG 42 N 0.25 0.56 -0.45 1.69 2.43 -1.37 -1.79 114.38 115.69 2k9a h ARG 42 Ca 0.23 -0.33 0.00 0.00 -0.81 0.00 0.00 59.98 59.07 2k9a h ARG 42 Cb 0.29 0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 29.85 2k9a h ARG 42 CO -0.29 0.93 0.30 -0.97 -1.51 0.00 0.00 179.97 178.43 2k9a h ASN 43 N 0.44 0.52 0.31 -3.80 -0.73 -0.23 -2.13 115.58 109.96 2k9a h ASN 43 Ca 0.02 -0.02 -0.29 0.00 1.87 0.00 0.00 56.30 57.88 2k9a h ASN 43 Cb 1.04 -0.13 0.02 0.00 0.27 0.00 0.00 38.32 39.52 2k9a h ASN 43 CO 0.10 0.38 -1.26 -0.26 -0.37 0.00 0.00 177.43 176.03 2k9a h PHE 44 N 0.61 0.83 0.00 0.67 0.04 -1.36 -3.25 116.94 114.48 2k9a h PHE 44 Ca 0.17 -0.55 -0.01 0.00 2.80 0.00 0.00 57.97 60.38 2k9a h PHE 44 Cb -0.06 -0.06 -0.00 0.00 2.20 0.00 0.00 35.95 38.03 2k9a h PHE 44 CO -0.04 1.40 -0.04 0.00 -0.60 0.00 0.00 178.31 179.03 2k9a h MET 45 N 0.19 0.00 -0.38 1.51 -0.00 -1.22 -1.61 114.93 113.42 2k9a h MET 45 Ca -0.18 0.00 0.08 0.00 -0.00 0.00 0.00 59.70 59.60 2k9a h MET 45 Cb 1.94 0.00 -0.02 0.00 -0.00 0.00 0.00 31.60 33.52 2k9a h MET 45 CO 0.23 0.04 0.26 -0.44 -0.00 0.00 0.00 176.91 177.00 2k9a h ASP 46 N 0.00 0.14 0.07 -0.10 3.32 -1.42 -1.12 116.42 117.31 2k9a h ASP 46 Ca -0.00 0.00 -0.37 0.00 0.02 0.00 0.00 57.03 56.68 2k9a h ASP 46 Cb 0.10 -0.03 -0.06 0.00 0.22 0.00 0.00 39.33 39.56 2k9a h ASP 46 CO 0.01 0.09 -2.30 0.29 -1.72 0.00 0.00 179.24 175.61 2k9a n LYS 47 N -4.46 0.68 0.03 3.56 4.76 -0.67 -4.28 118.16 117.77 2k9a n LYS 47 Ca 0.05 0.14 -0.11 0.00 -2.87 0.00 0.00 58.31 55.52 2k9a n LYS 47 Cb 0.34 -1.58 -0.06 0.00 -1.84 0.00 0.00 35.03 31.89 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 0.01 -0.04 0.00 2.13 -1.99 -1.09 -1.49 116.97 114.51 2k9a h TYR 48 Ca -0.52 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.22 2k9a h TYR 48 Cb 2.03 0.02 0.00 0.00 2.00 0.00 0.00 36.73 40.78 2k9a h TYR 48 CO 0.03 -0.03 0.00 0.10 -0.00 0.00 0.00 178.16 178.26 2k9a h TYR 49 N -0.01 0.00 0.06 4.88 -0.00 -1.44 -2.10 116.97 118.37 2k9a h TYR 49 Ca 0.02 0.00 -0.09 0.00 -0.00 0.00 0.00 58.73 58.66 2k9a h TYR 49 Cb 0.04 0.00 0.01 0.00 -0.00 0.00 0.00 36.73 36.79 2k9a h TYR 49 CO -0.11 0.00 -0.39 -0.07 -0.00 0.00 0.00 178.16 177.59 2k9a h LEU 50 N 0.00 0.23 -1.09 0.10 3.38 -1.47 -3.32 115.31 113.13 2k9a h LEU 50 Ca 0.00 -0.97 -0.05 0.00 0.09 0.00 0.00 57.88 56.95 2k9a h LEU 50 Cb 0.06 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 40.72 2k9a h LEU 50 CO 0.00 1.18 0.08 -0.33 0.09 0.00 0.00 178.44 179.46 2k9a h GLU 51 N -0.69 0.72 -5.90 1.13 4.39 -1.03 -3.35 114.58 109.86 2k9a h GLU 51 Ca -0.07 -0.15 -0.64 0.00 0.34 0.00 0.00 59.36 58.84 2k9a h GLU 51 Cb 1.30 -0.11 -0.10 0.00 -0.10 0.00 0.00 28.75 29.74 2k9a h GLU 51 CO 0.07 0.68 1.74 -0.06 -1.16 0.00 0.00 179.01 180.29 2k9a s PHE 52 N -5.12 2.70 0.22 4.33 0.40 -0.87 -4.98 117.98 114.67 2k9a s PHE 52 Ca -0.09 -1.23 -0.14 0.00 -0.60 0.00 0.00 56.93 54.87 2k9a s PHE 52 Cb 0.15 -4.69 -0.08 0.00 0.51 0.00 0.00 43.02 38.92 2k9a s PHE 52 CO 0.79 -1.84 0.61 -1.21 0.70 0.00 0.00 175.22 174.27 2k9a s GLU 53 N 4.43 3.96 -1.02 0.44 2.02 -1.26 -4.87 118.70 122.41 2k9a s GLU 53 Ca 0.48 0.51 -0.22 0.00 0.02 0.00 0.00 54.97 55.77 2k9a s GLU 53 Cb 0.01 -2.72 0.07 0.00 0.10 0.00 0.00 34.13 31.59 2k9a s GLU 53 CO -0.02 0.34 1.39 0.34 0.02 0.00 0.00 175.26 177.33 2k9a s ASP 54 N -2.04 6.55 0.15 -0.19 -1.08 -1.26 -4.94 116.67 113.87 2k9a s ASP 54 Ca 0.45 -1.65 -0.04 0.00 -0.52 0.00 0.00 52.55 50.80 2k9a s ASP 54 Cb -0.13 -2.53 -0.03 0.00 -1.46 0.00 0.00 42.92 38.77 2k9a s ASP 54 CO 0.20 -1.38 0.14 0.42 0.52 0.00 0.00 175.17 175.06 2k9a s THR 55 N 4.39 0.08 -0.01 1.71 -4.23 -1.26 -5.07 115.64 111.26 2k9a s THR 55 Ca 0.43 -1.76 -0.23 0.00 -1.18 0.00 0.00 61.69 58.95 2k9a s THR 55 Cb -0.01 -2.03 -0.19 0.00 1.34 0.00 0.00 72.50 71.61 2k9a s THR 55 CO -0.09 -0.37 1.22 -0.33 -0.54 0.00 0.00 174.62 174.51 2k9a h GLU 56 N 2.74 0.20 -6.92 3.99 3.07 -2.08 -3.44 114.58 112.14 2k9a h GLU 56 Ca -0.34 -0.14 -0.47 0.00 -0.50 0.00 0.00 59.36 57.91 2k9a h GLU 56 Cb 1.21 0.02 -0.02 0.00 -0.84 0.00 0.00 28.75 29.13 2k9a h GLU 56 CO 0.55 0.74 0.23 -1.21 -1.40 0.00 0.00 179.01 177.91 2k9a s GLU 57 N -3.90 4.07 0.50 2.33 2.02 -1.26 -5.09 118.70 117.37 2k9a s GLU 57 Ca -0.15 0.86 0.00 0.00 0.02 0.00 0.00 54.97 55.71 2k9a s GLU 57 Cb 0.03 -2.29 -0.00 0.00 0.10 0.00 0.00 34.13 31.96 2k9a s GLU 57 CO 0.73 0.02 0.01 0.27 0.02 0.00 0.00 175.26 176.31 2k9a n ASN 58 N -0.68 3.27 -4.34 -0.19 6.94 -1.26 -5.07 115.26 113.92 2k9a n ASN 58 Ca 0.05 -3.21 -0.17 0.00 -0.02 0.00 0.00 54.58 51.23 2k9a n ASN 58 Cb 0.54 0.39 -0.10 0.00 -2.36 0.00 0.00 39.78 38.25 2k9a n ASN 58 CO 0.00 0.00 0.00 -0.54 -1.03 0.00 0.00 177.26 175.69 2k9a s LYS 59 N -3.81 1.41 0.00 -3.83 1.02 -1.26 -5.03 119.74 108.24 2k9a s LYS 59 Ca 0.01 -1.75 0.29 0.00 0.02 0.00 0.00 55.97 54.54 2k9a s LYS 59 Cb 0.00 -0.48 1.21 0.00 -0.52 0.00 0.00 37.83 38.04 2k9a s LYS 59 CO 0.01 -0.21 1.90 -0.11 -0.92 0.00 0.00 175.35 176.02 2k9a n LEU 60 N -0.48 0.04 0.13 3.17 7.94 -1.26 -3.41 117.00 123.14 2k9a n LEU 60 Ca -0.02 0.44 0.11 0.00 -1.11 0.00 0.00 56.01 55.43 2k9a n LEU 60 Cb 0.65 -0.46 0.50 0.00 0.53 0.00 0.00 43.42 44.65 2k9a n LEU 60 CO 0.38 0.01 0.84 0.00 -1.11 0.00 0.00 177.39 177.51 2k9a n ILE 61 N -1.47 0.92 0.25 1.96 0.13 -1.26 -2.01 119.36 117.88 2k9a n ILE 61 Ca 0.08 0.38 0.14 0.00 -1.10 0.00 0.00 62.75 62.25 2k9a n ILE 61 Cb 0.33 -1.33 0.57 0.00 -0.84 0.00 0.00 39.64 38.37 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 0.07 9.51 -1.99 -1.98 -2.80 116.97 119.79 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 0.25 0.00 0.00 0.00 2.00 0.00 0.00 36.73 38.98 2k9a h TYR 62 CO 0.00 0.09 -0.03 1.15 -0.00 0.00 0.00 178.16 179.36 2k9a h THR 63 N 0.00 1.20 -0.61 -2.88 2.02 -1.68 -2.47 112.91 108.49 2k9a h THR 63 Ca -0.00 -1.41 -0.08 0.00 0.77 0.00 0.00 66.41 65.69 2k9a h THR 63 Cb 0.63 2.05 -0.02 0.00 -1.74 0.00 0.00 68.15 69.07 2k9a h THR 63 CO 0.01 0.33 0.08 1.55 0.37 0.00 0.00 175.52 177.85 2k9a h PRO 64 N -0.79 1.01 -0.44 6.66 0.13 -1.72 -2.40 132.00 134.45 2k9a h PRO 64 Ca -0.01 -0.27 -0.03 0.00 -0.87 0.00 0.00 66.00 64.82 2k9a h PRO 64 Cb 0.61 -0.12 -0.02 0.00 0.13 0.00 0.00 31.00 31.60 2k9a h PRO 64 CO 0.02 0.95 0.14 0.82 -0.23 0.00 0.00 178.00 179.70 2k9a h ILE 65 N 0.95 1.22 -0.47 -3.56 2.04 -1.61 -2.07 117.51 114.01 2k9a h ILE 65 Ca 0.19 -0.72 0.00 0.00 1.00 0.00 0.00 64.86 65.33 2k9a h ILE 65 Cb 0.44 0.85 -0.02 0.00 -0.74 0.00 0.00 36.82 37.35 2k9a h ILE 65 CO 0.01 0.26 0.31 0.15 0.00 0.00 0.00 178.15 178.88 2k9a h PHE 66 N 0.58 0.60 -0.80 1.37 3.57 -1.31 -2.23 116.94 118.72 2k9a h PHE 66 Ca 0.14 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.66 2k9a h PHE 66 Cb 0.25 -0.20 -0.04 0.00 2.79 0.00 0.00 35.95 38.75 2k9a h PHE 66 CO 0.01 0.39 0.52 -0.91 -2.23 0.00 0.00 178.31 176.08 2k9a h ASN 67 N 0.64 0.93 -0.25 0.41 2.35 -1.28 -1.54 115.58 116.84 2k9a h ASN 67 Ca 0.17 -0.03 -0.04 0.00 -0.55 0.00 0.00 56.30 55.85 2k9a h ASN 67 Cb -0.06 -0.23 -0.02 0.00 0.05 0.00 0.00 38.32 38.06 2k9a h ASN 67 CO -0.04 0.69 0.04 -0.08 -1.65 0.00 0.00 177.43 176.38 2k9a h GLU 68 N 1.09 0.52 -0.30 0.81 4.57 -0.81 -1.32 114.58 119.14 2k9a h GLU 68 Ca 0.29 -0.10 -0.13 0.00 -1.18 0.00 0.00 59.36 58.24 2k9a h GLU 68 Cb -0.10 -0.08 -0.01 0.00 -0.16 0.00 0.00 28.75 28.39 2k9a h GLU 68 CO -0.06 0.52 -0.37 -0.92 -1.18 0.00 0.00 179.01 177.00 2k9a h TYR 69 N 0.50 0.80 0.00 0.92 3.20 -0.74 0.88 116.97 122.53 2k9a h TYR 69 Ca 0.11 -0.22 -0.14 0.00 3.14 0.00 0.00 58.73 61.62 2k9a h TYR 69 Cb 0.27 -0.18 -0.02 0.00 1.54 0.00 0.00 36.73 38.35 2k9a h TYR 69 CO 0.01 0.95 -0.68 0.82 -1.64 0.00 0.00 178.16 177.61 2k9a h ILE 70 N 0.56 1.46 0.00 1.81 1.08 -0.94 -0.12 117.51 121.37 2k9a h ILE 70 Ca 0.05 -2.36 -0.26 0.00 -0.39 0.00 0.00 64.86 61.91 2k9a h ILE 70 Cb 0.89 2.28 -0.04 0.00 -3.07 0.00 0.00 36.82 36.88 2k9a h ILE 70 CO 0.08 0.67 -1.45 -1.28 -0.69 0.00 0.00 178.15 175.47 2k9a h SER 71 N 0.00 0.00 0.00 1.72 0.87 -1.13 -2.37 113.55 112.64 2k9a h SER 71 Ca -0.01 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.55 2k9a h SER 71 Cb 1.23 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.19 2k9a h SER 71 CO 0.09 0.96 -0.37 -0.11 -0.53 0.00 0.00 176.83 176.87 2k9a n LEU 72 N -3.13 1.26 0.11 2.23 -0.00 0.29 -4.15 117.00 113.62 2k9a n LEU 72 Ca -0.11 0.51 -0.06 0.00 -0.00 0.00 0.00 56.01 56.35 2k9a n LEU 72 Cb 1.00 -0.75 -0.03 0.00 -0.00 0.00 0.00 43.42 43.64 2k9a n LEU 72 CO 0.45 -0.48 0.16 0.58 -0.00 0.00 0.00 177.39 178.11 2k9a h VAL 73 N -0.69 0.00 -0.79 1.96 2.07 -1.22 -2.22 116.25 115.36 2k9a h VAL 73 Ca 0.00 -0.59 0.14 0.00 0.82 0.00 0.00 66.70 67.07 2k9a h VAL 73 Cb 0.37 0.00 -0.09 0.00 -1.52 0.00 0.00 31.29 30.05 2k9a h VAL 73 CO 0.00 0.00 0.37 -0.08 0.02 0.00 0.00 177.57 177.88 2k9a h GLU 74 N -0.95 0.53 -0.49 1.57 4.22 -1.45 0.19 114.58 118.19 2k9a h GLU 74 Ca -0.04 -0.03 -0.08 0.00 0.08 0.00 0.00 59.36 59.29 2k9a h GLU 74 Cb 0.28 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.39 2k9a h GLU 74 CO 0.06 0.35 -0.02 -0.22 -2.18 0.00 0.00 179.01 177.00 2k9a h LYS 75 N 0.54 0.84 -0.58 1.92 3.64 -1.54 -2.71 116.57 118.68 2k9a h LYS 75 Ca 0.43 -0.24 0.06 0.00 -1.27 0.00 0.00 60.65 59.62 2k9a h LYS 75 Cb 0.60 -0.09 -0.06 0.00 -0.41 0.00 0.00 32.23 32.28 2k9a h LYS 75 CO -0.37 0.86 0.28 -0.92 -2.27 0.00 0.00 179.45 177.03 2k9a h TYR 76 N 0.78 0.50 -0.15 1.91 3.20 -0.31 -0.33 116.97 122.57 2k9a h TYR 76 Ca 0.14 0.02 -0.01 0.00 3.14 0.00 0.00 58.73 62.03 2k9a h TYR 76 Cb 0.50 -0.14 -0.01 0.00 1.54 0.00 0.00 36.73 38.63 2k9a h TYR 76 CO 0.03 0.21 0.04 0.82 -1.64 0.00 0.00 178.16 177.62 2k9a h ILE 77 N 0.52 1.20 -0.88 1.81 2.04 -1.26 -2.56 117.51 118.38 2k9a h ILE 77 Ca 0.27 -0.63 0.04 0.00 1.00 0.00 0.00 64.86 65.54 2k9a h ILE 77 Cb 0.22 1.34 -0.05 0.00 -0.74 0.00 0.00 36.82 37.59 2k9a h ILE 77 CO -0.21 0.19 0.57 -0.08 0.00 0.00 0.00 178.15 178.62 2k9a h GLU 78 N 0.04 1.06 -0.00 2.37 4.81 -1.16 -2.48 114.58 119.22 2k9a h GLU 78 Ca 0.05 -0.06 -0.00 0.00 -0.13 0.00 0.00 59.36 59.21 2k9a h GLU 78 Cb 0.26 -0.24 -0.00 0.00 0.63 0.00 0.00 28.75 29.40 2k9a h GLU 78 CO 0.00 0.70 0.00 0.93 -0.73 0.00 0.00 179.01 179.91 2k9a h GLU 79 N 1.09 0.00 -0.47 1.92 4.39 -0.97 -0.50 114.58 120.05 2k9a h GLU 79 Ca 0.36 -0.00 0.05 0.00 0.34 0.00 0.00 59.36 60.11 2k9a h GLU 79 Cb 0.03 -0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 28.65 2k9a h GLU 79 CO -0.13 0.10 0.31 1.96 -1.16 0.00 0.00 179.01 180.10 2k9a h GLN 80 N -0.10 0.41 0.09 2.33 1.08 -1.22 -1.65 115.11 116.05 2k9a h GLN 80 Ca 0.00 -0.02 -0.28 0.00 -1.45 0.00 0.00 58.65 56.90 2k9a h GLN 80 Cb 0.10 -0.09 0.02 0.00 -0.05 0.00 0.00 27.48 27.46 2k9a h GLN 80 CO -0.00 0.27 -1.16 -0.07 -0.95 0.00 0.00 178.83 176.92 2k9a h LEU 81 N 0.42 0.71 -1.59 1.46 3.38 -1.16 -3.24 115.31 115.29 2k9a h LEU 81 Ca 0.20 -0.65 -0.04 0.00 0.09 0.00 0.00 57.88 57.49 2k9a h LEU 81 Cb 0.26 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.78 2k9a h LEU 81 CO -0.05 1.46 -0.18 -0.07 0.09 0.00 0.00 178.44 179.70 2k9a h LEU 82 N 0.23 0.00 -2.12 1.67 3.38 -0.36 0.04 115.31 118.14 2k9a h LEU 82 Ca -0.15 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.81 2k9a h LEU 82 Cb 1.84 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.58 2k9a h LEU 82 CO 0.21 0.18 -0.05 1.56 0.09 0.00 0.00 178.44 180.43 2k9a h GLN 83 N 0.00 0.00 0.00 1.13 4.20 -1.35 -3.02 115.11 116.06 2k9a h GLN 83 Ca -0.00 0.00 -0.15 0.00 0.06 0.00 0.00 58.65 58.56 2k9a h GLN 83 Cb 0.50 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 28.25 2k9a h GLN 83 CO 0.02 0.05 -1.67 0.54 -0.67 0.00 0.00 178.83 177.10 2k9a n ARG 84 N -4.09 1.92 -3.82 1.46 1.74 -0.97 -4.88 116.66 108.02 2k9a n ARG 84 Ca -0.03 -0.02 -0.30 0.00 -0.77 0.00 0.00 57.85 56.73 2k9a n ARG 84 Cb 0.13 -1.27 -0.14 0.00 -1.02 0.00 0.00 32.46 30.16 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 -2.35 1.63 -1.62 0.55 1.01 -0.04 -4.96 121.20 115.42 2k9a s ILE 85 Ca -0.05 -2.30 0.18 0.00 0.00 0.00 0.00 60.65 58.48 2k9a s ILE 85 Cb 0.04 -2.18 0.38 0.00 0.01 0.00 0.00 42.46 40.71 2k9a s ILE 85 CO 0.43 -0.75 1.52 -0.81 0.00 0.00 0.00 174.94 175.33 2k9a n PRO 86 N 4.01 0.36 -0.08 2.79 -0.04 -1.21 -2.19 135.00 138.63 2k9a n PRO 86 Ca 0.04 0.08 0.04 0.00 -0.04 0.00 0.00 63.50 63.62 2k9a n PRO 86 Cb 0.38 -1.50 0.08 0.00 -0.04 0.00 0.00 33.50 32.42 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 -1.19 2.08 -2.00 0.54 1.02 -1.26 -5.03 120.64 114.80 2k9a n GLU 87 Ca 0.10 -1.59 -0.40 0.00 -0.02 0.00 0.00 57.16 55.25 2k9a n GLU 87 Cb 0.12 -1.16 -0.00 0.00 -0.02 0.00 0.00 31.44 30.37 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 -0.89 2.76 -0.46 -0.32 5.36 -0.93 -5.00 117.98 118.51 2k9a s PHE 88 Ca 0.13 1.37 0.03 0.00 -0.96 0.00 0.00 56.93 57.50 2k9a s PHE 88 Cb 0.07 -3.74 0.13 0.00 -0.34 0.00 0.00 43.02 39.14 2k9a s PHE 88 CO 0.10 -2.28 0.21 0.54 -1.46 0.00 0.00 175.22 172.33 2k9a s ASN 89 N -0.63 4.16 0.60 6.13 6.03 -1.26 -4.95 114.94 125.02 2k9a s ASN 89 Ca 0.56 -2.69 0.31 0.00 -1.03 0.00 0.00 52.86 50.01 2k9a s ASN 89 Cb -0.40 -1.41 1.86 0.00 -3.03 0.00 0.00 41.25 38.27 2k9a s ASN 89 CO 0.52 -0.27 2.26 -0.03 -2.03 0.00 0.00 177.10 177.54 2k9a h MET 90 N 6.83 0.00 0.32 3.55 4.05 -1.97 0.75 114.93 128.45 2k9a h MET 90 Ca -0.06 0.00 -0.02 0.00 -0.28 0.00 0.00 59.70 59.35 2k9a h MET 90 Cb 0.93 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.73 2k9a h MET 90 CO 0.59 0.00 -0.15 0.00 0.23 0.00 0.00 176.91 177.57 2k9a h ALA 91 N 1.99 -0.43 0.00 0.39 0.00 -2.00 -2.65 119.26 116.56 2k9a h ALA 91 Ca 0.00 -0.18 -0.06 0.00 0.00 0.00 0.00 54.91 54.67 2k9a h ALA 91 Cb 0.01 0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 2k9a h ALA 91 CO -0.00 -0.47 -0.28 0.00 0.00 0.00 0.00 179.25 178.49 2k9a h ALA 92 N -0.65 1.09 0.06 0.00 0.00 -1.93 -2.69 119.26 115.14 2k9a h ALA 92 Ca -0.04 -0.26 -0.00 0.00 0.00 0.00 0.00 54.91 54.60 2k9a h ALA 92 Cb 0.50 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.25 2k9a h ALA 92 CO 0.07 0.35 -0.03 0.35 0.00 0.00 0.00 179.25 180.00 2k9a h PHE 93 N 0.00 -0.08 -0.66 0.00 3.57 -0.90 -2.18 116.94 116.68 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 -0.03 0.00 2.79 0.00 0.00 35.95 39.47 2k9a h PHE 93 CO 0.00 0.26 0.16 1.79 -2.23 0.00 0.00 178.31 178.29 2k9a h THR 94 N -0.43 1.25 -0.66 4.41 1.35 -1.45 0.74 112.91 118.12 2k9a h THR 94 Ca -0.01 -0.94 0.02 0.00 -0.55 0.00 0.00 66.41 64.93 2k9a h THR 94 Cb 0.38 0.58 -0.04 0.00 -1.73 0.00 0.00 68.15 67.33 2k9a h THR 94 CO 0.01 0.36 0.43 0.74 -0.25 0.00 0.00 175.52 176.81 2k9a h THR 95 N 1.00 1.13 0.00 6.82 2.02 -1.45 -2.18 112.91 120.25 2k9a h THR 95 Ca 0.21 -0.29 -0.16 0.00 0.77 0.00 0.00 66.41 66.93 2k9a h THR 95 Cb 0.36 0.20 -0.02 0.00 -1.74 0.00 0.00 68.15 66.94 2k9a h THR 95 CO 0.00 0.16 -0.79 0.74 0.37 0.00 0.00 175.52 176.00 2k9a h THR 96 N 0.85 1.48 -0.68 3.16 2.02 -1.17 -3.27 112.91 115.30 2k9a h THR 96 Ca 0.26 -2.76 -0.01 0.00 0.77 0.00 0.00 66.41 64.67 2k9a h THR 96 Cb -0.04 2.52 -0.03 0.00 -1.74 0.00 0.00 68.15 68.86 2k9a h THR 96 CO -0.08 0.77 0.40 0.25 0.37 0.00 0.00 175.52 177.23 2k9a h LEU 97 N 0.00 0.82 -1.38 2.58 6.46 -0.24 -2.37 115.31 121.18 2k9a h LEU 97 Ca -0.01 -0.05 0.21 0.00 -0.12 0.00 0.00 57.88 57.91 2k9a h LEU 97 Cb 1.46 -0.21 -0.08 0.00 -0.73 0.00 0.00 40.66 41.10 2k9a h LEU 97 CO 0.10 0.64 0.62 0.06 -0.62 0.00 0.00 178.44 179.24 2k9a h GLN 98 N 0.95 0.47 0.20 1.25 3.07 -1.49 0.24 115.11 119.79 2k9a h GLN 98 Ca 0.25 -0.03 -0.28 0.00 0.09 0.00 0.00 58.65 58.67 2k9a h GLN 98 Cb -0.02 -0.11 0.03 0.00 0.08 0.00 0.00 27.48 27.46 2k9a h GLN 98 CO -0.04 0.31 -1.29 0.45 0.09 0.00 0.00 178.83 178.34 2k9a h HIS 99 N 0.48 0.76 0.00 0.06 3.86 -1.64 -3.22 115.15 115.46 2k9a h HIS 99 Ca 0.51 -0.56 0.00 0.00 -1.16 0.00 0.00 60.37 59.17 2k9a h HIS 99 Cb 1.17 -0.03 0.00 0.00 1.06 0.00 0.00 27.41 29.61 2k9a h HIS 99 CO -0.00 1.50 0.00 0.72 0.86 0.00 0.00 177.93 181.01 2k9a n HIS 100 N -3.86 0.00 0.32 2.45 8.25 -0.29 -2.65 115.22 119.43 2k9a n HIS 100 Ca -0.18 0.00 0.21 0.00 -0.26 0.00 0.00 57.72 57.49 2k9a n HIS 100 Cb 0.99 -0.03 1.02 0.00 1.12 0.00 0.00 29.99 33.09 2k9a n HIS 100 CO 0.00 0.00 0.00 -0.22 0.64 0.00 0.00 176.34 176.76 2k9a h LYS 101 N 0.00 0.00 0.00 -0.41 3.64 -0.61 -0.10 116.57 119.09 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 0.02 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 31.84 2k9a h LYS 101 CO 0.00 0.00 -0.00 0.22 -2.27 0.00 0.00 179.45 177.40 2k9a h ASP 102 N 0.00 0.00 0.00 4.20 3.58 -1.76 -3.38 116.42 119.06 2k9a h ASP 102 Ca -0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 2k9a h ASP 102 Cb 0.19 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.24 2k9a h ASP 102 CO 0.00 0.00 -0.84 1.21 -2.88 0.00 0.00 179.24 176.74 2k9a n GLU 103 N -3.10 0.44 -0.87 0.28 2.13 -0.25 -5.01 120.64 114.27 2k9a n GLU 103 Ca 0.03 0.18 -0.32 0.00 0.66 0.00 0.00 57.16 57.71 2k9a n GLU 103 Cb 0.49 -1.27 0.15 0.00 0.27 0.00 0.00 31.44 31.07 2k9a n GLU 103 CO 0.00 0.00 0.00 0.54 -0.41 0.00 0.00 177.13 177.26 2k9a s VAL 104 N -2.64 2.03 -0.33 6.31 0.11 -0.22 -4.82 120.40 120.85 2k9a s VAL 104 Ca -0.24 0.01 -0.29 0.00 -2.93 0.00 0.00 61.98 58.53 2k9a s VAL 104 Cb 0.03 -2.19 -0.07 0.00 -1.53 0.00 0.00 36.38 32.62 2k9a s VAL 104 CO 0.36 -0.01 2.28 0.00 -3.33 0.00 0.00 175.10 174.39 2k9a n ALA 105 N -3.84 1.40 0.19 1.54 0.00 -1.26 -4.80 120.51 113.73 2k9a n ALA 105 Ca 0.13 -0.37 0.05 0.00 0.00 0.00 0.00 53.44 53.25 2k9a n ALA 105 Cb 0.51 -2.90 0.50 0.00 0.00 0.00 0.00 19.45 17.56 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 15.49 0.11 1.41 0.00 0.00 -1.88 -2.35 103.07 115.86 2k9a h GLY 106 Ca -0.34 -0.06 -0.05 0.00 0.00 0.00 0.00 47.33 46.89 2k9a h GLY 106 CO 1.03 0.05 0.10 -0.55 0.00 0.00 0.00 176.54 177.17 2k9a h ASP 107 N 0.10 0.69 -0.01 0.19 5.19 -1.96 0.54 116.42 121.17 2k9a h ASP 107 Ca 0.02 -0.12 -0.01 0.00 -0.62 0.00 0.00 57.03 56.30 2k9a h ASP 107 Cb 0.24 -0.18 0.00 0.00 0.18 0.00 0.00 39.33 39.57 2k9a h ASP 107 CO 0.01 0.69 -0.04 0.40 -3.12 0.00 0.00 179.24 177.18 2k9a h ILE 108 N 0.71 1.52 0.00 0.35 2.04 -1.82 -3.22 117.51 117.09 2k9a h ILE 108 Ca 0.16 -1.59 -0.04 0.00 1.00 0.00 0.00 64.86 64.38 2k9a h ILE 108 Cb 0.29 2.57 -0.01 0.00 -0.74 0.00 0.00 36.82 38.94 2k9a h ILE 108 CO 0.00 0.42 -0.19 0.15 0.00 0.00 0.00 178.15 178.53 2k9a h PHE 109 N -0.60 0.00 -1.07 1.37 3.57 -1.42 -2.61 116.94 116.17 2k9a h PHE 109 Ca -0.00 0.00 0.29 0.00 3.53 0.00 0.00 57.97 61.79 2k9a h PHE 109 Cb 0.71 0.00 -0.07 0.00 2.79 0.00 0.00 35.95 39.38 2k9a h PHE 109 CO 0.16 0.19 0.73 0.22 -2.23 0.00 0.00 178.31 177.37 2k9a h ASP 110 N 0.00 0.25 -0.08 0.41 1.82 -0.89 0.34 116.42 118.27 2k9a h ASP 110 Ca -0.00 0.05 -0.08 0.00 -0.39 0.00 0.00 57.03 56.61 2k9a h ASP 110 Cb 0.37 0.01 0.00 0.00 0.68 0.00 0.00 39.33 40.39 2k9a h ASP 110 CO 0.02 0.05 -0.26 -0.03 -1.61 0.00 0.00 179.24 177.41 2k9a h MET 111 N 0.22 0.31 0.00 0.28 4.05 -1.60 -3.13 114.93 115.05 2k9a h MET 111 Ca 0.57 -0.23 -0.01 0.00 -0.28 0.00 0.00 59.70 59.74 2k9a h MET 111 Cb 1.78 0.04 -0.00 0.00 -0.80 0.00 0.00 31.60 32.62 2k9a h MET 111 CO -0.17 0.86 -0.06 -0.07 0.23 0.00 0.00 176.91 177.70 2k9a h LEU 112 N -0.18 0.00 -1.84 3.39 3.38 -0.62 -2.79 115.31 116.67 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 0.89 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.62 2k9a h LEU 112 CO 0.06 0.06 0.65 -0.07 0.09 0.00 0.00 178.44 179.23 2k9a h LEU 113 N 0.00 0.00 0.00 1.67 3.38 -0.49 -0.19 115.31 119.68 2k9a h LEU 113 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2k9a h LEU 113 Cb 0.28 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.03 2k9a h LEU 113 CO 0.01 0.00 0.03 0.35 0.09 0.00 0.00 178.44 178.92 2k9a n THR 114 N -3.76 0.41 0.26 0.22 -2.24 -1.05 -1.11 114.28 107.00 2k9a n THR 114 Ca 0.14 0.13 0.13 0.00 -2.27 0.00 0.00 64.05 62.17 2k9a n THR 114 Cb 0.89 -1.13 0.73 0.00 -2.10 0.00 0.00 70.33 68.73 2k9a n THR 114 CO 0.00 0.00 0.00 -0.26 -0.57 0.00 0.00 175.07 174.24 2k9a h PHE 115 N 0.00 0.00 0.00 4.78 0.04 -1.31 -3.39 116.94 117.06 2k9a h PHE 115 Ca 0.00 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.77 2k9a h PHE 115 Cb 0.06 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.21 2k9a h PHE 115 CO 0.00 0.11 0.00 -2.37 -0.60 0.00 0.00 178.31 175.45 2k9a n THR 116 N -3.68 0.00 -2.11 -1.55 5.66 -0.77 -5.03 114.28 106.80 2k9a n THR 116 Ca -0.02 0.00 -0.29 0.00 -3.05 0.00 0.00 64.05 60.69 2k9a n THR 116 Cb 0.23 0.00 -0.05 0.00 -1.55 0.00 0.00 70.33 68.95 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 -0.36 5.21 0.61 1.09 1.01 -0.27 -4.75 116.67 119.21 2k9a s ASP 117 Ca 0.00 -1.42 0.31 0.00 0.71 0.00 0.00 52.55 52.15 2k9a s ASP 117 Cb 0.00 -2.58 1.74 0.00 1.01 0.00 0.00 42.92 43.10 2k9a s ASP 117 CO 0.00 -2.83 2.10 0.15 0.21 0.00 0.00 175.17 174.80 2k9a h PHE 118 N 10.05 0.00 -0.27 4.23 3.57 -1.89 -1.30 116.94 131.33 2k9a h PHE 118 Ca 0.20 0.00 -0.04 0.00 3.53 0.00 0.00 57.97 61.65 2k9a h PHE 118 Cb 0.96 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 39.69 2k9a h PHE 118 CO 1.23 0.00 -0.00 -0.07 -2.23 0.00 0.00 178.31 177.23 2k9a h LEU 119 N 0.00 0.47 -0.44 0.59 3.38 -1.97 -2.12 115.31 115.22 2k9a h LEU 119 Ca 0.07 -0.31 -0.11 0.00 0.09 0.00 0.00 57.88 57.61 2k9a h LEU 119 Cb 0.47 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 41.08 2k9a h LEU 119 CO -0.00 0.67 -0.55 0.00 0.09 0.00 0.00 178.44 178.65 2k9a h ALA 120 N 0.82 0.77 0.36 1.53 0.00 -1.65 -2.35 119.26 118.75 2k9a h ALA 120 Ca 0.08 -0.50 -0.02 0.00 0.00 0.00 0.00 54.91 54.47 2k9a h ALA 120 Cb 0.43 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.13 2k9a h ALA 120 CO 0.01 0.68 -0.17 0.35 0.00 0.00 0.00 179.25 180.12 2k9a h PHE 121 N 0.00 -0.45 -0.37 0.00 3.57 -1.22 -1.00 116.94 117.46 2k9a h PHE 121 Ca -0.01 -0.01 -0.08 0.00 3.53 0.00 0.00 57.97 61.41 2k9a h PHE 121 Cb 1.23 0.15 -0.01 0.00 2.79 0.00 0.00 35.95 40.11 2k9a h PHE 121 CO 0.00 -0.13 -0.07 -0.22 -2.23 0.00 0.00 178.31 175.66 2k9a h LYS 122 N -0.79 0.70 -0.40 1.11 1.63 -1.47 -2.83 116.57 114.52 2k9a h LYS 122 Ca -0.05 -0.26 0.00 0.00 -0.85 0.00 0.00 60.65 59.49 2k9a h LYS 122 Cb 0.52 -0.05 -0.02 0.00 -0.60 0.00 0.00 32.23 32.09 2k9a h LYS 122 CO 0.08 0.84 0.25 1.49 -3.45 0.00 0.00 179.45 178.67 2k9a h GLU 123 N 0.51 0.53 -0.16 1.90 4.57 -1.47 -2.25 114.58 118.21 2k9a h GLU 123 Ca 0.10 -0.04 -0.02 0.00 -1.18 0.00 0.00 59.36 58.22 2k9a h GLU 123 Cb 0.57 -0.12 -0.01 0.00 -0.16 0.00 0.00 28.75 29.03 2k9a h GLU 123 CO 0.03 0.36 0.03 1.98 -1.18 0.00 0.00 179.01 180.23 2k9a h MET 124 N 0.55 0.26 -0.89 1.92 4.05 -0.95 -2.35 114.93 117.52 2k9a h MET 124 Ca 0.15 -0.07 0.02 0.00 -0.28 0.00 0.00 59.70 59.51 2k9a h MET 124 Cb -0.04 -0.03 -0.05 0.00 -0.80 0.00 0.00 31.60 30.68 2k9a h MET 124 CO -0.03 0.44 0.59 0.74 0.23 0.00 0.00 176.91 178.88 2k9a h PHE 125 N 0.05 1.10 -0.69 1.39 0.04 -1.21 -2.10 116.94 115.52 2k9a h PHE 125 Ca 0.05 0.03 -0.05 0.00 2.80 0.00 0.00 57.97 60.80 2k9a h PHE 125 Cb 0.30 -0.37 -0.03 0.00 2.20 0.00 0.00 35.95 38.05 2k9a h PHE 125 CO 0.02 0.68 0.25 -0.07 -0.60 0.00 0.00 178.31 178.59 2k9a h LEU 126 N 1.17 0.97 -0.39 1.54 3.38 -1.27 -2.10 115.31 118.62 2k9a h LEU 126 Ca 0.33 -0.19 -0.01 0.00 0.09 0.00 0.00 57.88 58.11 2k9a h LEU 126 Cb -0.09 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.39 2k9a h LEU 126 CO -0.08 0.90 0.20 -0.78 0.09 0.00 0.00 178.44 178.77 2k9a h ASP 127 N 0.99 0.50 -0.82 -0.43 3.58 -0.87 -1.58 116.42 117.79 2k9a h ASP 127 Ca 0.23 -0.11 0.02 0.00 0.42 0.00 0.00 57.03 57.58 2k9a h ASP 127 Cb 0.25 -0.13 -0.04 0.00 1.72 0.00 0.00 39.33 41.13 2k9a h ASP 127 CO -0.01 0.47 0.55 0.22 -2.88 0.00 0.00 179.24 177.58 2k9a h TYR 128 N 0.50 1.02 -0.21 0.28 3.20 -1.19 -1.83 116.97 118.74 2k9a h TYR 128 Ca 0.14 0.02 -0.12 0.00 3.14 0.00 0.00 58.73 61.91 2k9a h TYR 128 Cb 0.09 -0.34 -0.01 0.00 1.54 0.00 0.00 36.73 38.01 2k9a h TYR 128 CO -0.02 0.62 -0.38 -0.09 -1.64 0.00 0.00 178.16 176.65 2k9a h ARG 129 N 1.08 0.47 -0.15 1.82 2.43 -1.00 -2.91 114.38 116.13 2k9a h ARG 129 Ca 0.31 -0.23 -0.08 0.00 -0.81 0.00 0.00 59.98 59.18 2k9a h ARG 129 Cb -0.06 -0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.47 2k9a h ARG 129 CO -0.08 0.79 -0.26 0.00 -1.51 0.00 0.00 179.97 178.91 2k9a h ALA 130 N 1.19 1.29 0.00 2.80 0.00 -0.48 -2.22 119.26 121.84 2k9a h ALA 130 Ca 0.04 -0.31 -0.02 0.00 0.00 0.00 0.00 54.91 54.62 2k9a h ALA 130 Cb 0.85 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.54 2k9a h ALA 130 CO 0.07 0.48 -0.11 0.93 0.00 0.00 0.00 179.25 180.62 2k9a h GLU 131 N 0.24 0.00 0.00 0.00 5.08 -1.23 -2.21 114.58 116.46 2k9a h GLU 131 Ca 0.04 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.39 2k9a h GLU 131 Cb 0.59 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.84 2k9a h GLU 131 CO 0.04 0.11 -0.06 0.87 -1.00 0.00 0.00 179.01 178.97 2k9a h LYS 132 N 0.00 0.00 0.00 2.33 1.79 -1.40 -1.27 116.57 118.01 2k9a h LYS 132 Ca -0.00 0.00 -0.09 0.00 -2.18 0.00 0.00 60.65 58.38 2k9a h LYS 132 Cb 0.41 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.04 2k9a h LYS 132 CO 0.01 0.06 -0.44 0.93 -1.08 0.00 0.00 179.45 178.94 2k9a h GLU 133 N 0.00 0.00 -3.29 3.15 4.39 -1.53 -3.48 114.58 113.82 2k9a h GLU 133 Ca -0.00 0.00 -0.34 0.00 0.34 0.00 0.00 59.36 59.36 2k9a h GLU 133 Cb 0.23 0.00 0.03 0.00 -0.10 0.00 0.00 28.75 28.91 2k9a h GLU 133 CO 0.01 0.41 -0.48 0.41 -1.16 0.00 0.00 179.01 178.19 2k9a n GLY 134 N 1.21 -0.33 2.59 -3.84 0.00 -0.48 -1.82 105.19 102.52 2k9a n GLY 134 Ca 0.02 -0.07 -0.17 0.00 0.00 0.00 0.00 46.02 45.80 2k9a n GLY 134 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2k9a n ARG 135 N -3.17 -1.53 -0.64 1.61 5.12 -1.26 -5.14 116.66 111.65 2k9a n ARG 135 Ca -0.14 1.05 0.00 0.00 -1.93 0.00 0.00 57.85 56.84 2k9a n ARG 135 Cb 0.62 -5.43 0.00 0.00 -1.16 0.00 0.00 32.46 26.50 2k9a n ARG 135 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11