#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3k9m s PRO 2 N 0.00 2.43 0.15 1.96 0.02 -1.26 -4.96 135.00 133.34 3k9m s PRO 2 Ca 0.00 0.12 -0.08 0.00 0.02 0.00 0.00 61.00 61.06 3k9m s PRO 2 Cb 0.00 -2.07 -0.03 0.00 0.02 0.00 0.00 34.50 32.42 3k9m s PRO 2 CO 0.00 -1.21 1.41 0.00 -0.33 0.00 0.00 177.00 176.87 3k9m h ALA 3 N -0.70 0.51 -3.44 -1.55 0.00 -2.03 -3.45 119.26 108.60 3k9m h ALA 3 Ca -0.45 -0.55 -0.38 0.00 0.00 0.00 0.00 54.91 53.53 3k9m h ALA 3 Cb 1.29 -0.06 -0.35 0.00 0.00 0.00 0.00 17.79 18.68 3k9m h ALA 3 CO 0.63 0.70 -0.76 -1.54 0.00 0.00 0.00 179.25 178.28 3k9m s SER 4 N -6.99 0.76 -0.02 0.00 1.04 -1.26 -4.01 113.70 103.22 3k9m s SER 4 Ca -0.09 -0.06 0.01 0.00 0.48 0.00 0.00 55.95 56.29 3k9m s SER 4 Cb 0.10 -0.31 0.01 0.00 0.10 0.00 0.00 66.02 65.92 3k9m s SER 4 CO 0.87 -0.11 -0.01 0.12 0.98 0.00 0.00 173.24 175.10 3k9m s PHE 5 N 1.17 0.23 -0.09 5.02 5.36 -0.11 -4.96 117.98 124.60 3k9m s PHE 5 Ca -0.08 -0.00 -0.02 0.00 -0.96 0.00 0.00 56.93 55.87 3k9m s PHE 5 Cb -0.14 -0.26 0.04 0.00 -0.34 0.00 0.00 43.02 42.33 3k9m s PHE 5 CO -0.02 -0.06 0.04 0.34 -1.46 0.00 0.00 175.22 174.06 3k9m s ASP 6 N 0.51 1.72 0.51 6.13 -1.08 -1.26 -0.20 116.67 123.00 3k9m s ASP 6 Ca -0.05 -0.21 0.16 0.00 -0.52 0.00 0.00 52.55 51.94 3k9m s ASP 6 Cb -0.08 -0.31 1.24 0.00 -1.46 0.00 0.00 42.92 42.32 3k9m s ASP 6 CO -0.01 -0.26 2.12 0.00 0.52 0.00 0.00 175.17 177.54 3k9m h ALA 7 N 8.38 1.90 0.00 3.66 0.00 -1.93 -1.96 119.26 129.31 3k9m h ALA 7 Ca -0.15 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.72 3k9m h ALA 7 Cb 1.13 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.91 3k9m h ALA 7 CO 0.23 0.05 0.00 0.00 0.00 0.00 0.00 179.25 179.54 3k9m h ARG 8 N 0.00 0.00 0.01 0.00 -0.00 -1.86 -2.34 114.38 110.19 3k9m h ARG 8 Ca -0.00 0.00 -0.37 0.00 -0.50 0.00 0.00 59.98 59.11 3k9m h ARG 8 Cb 0.08 0.00 -0.07 0.00 0.00 0.00 0.00 29.97 29.98 3k9m h ARG 8 CO 0.01 0.00 -2.36 0.39 0.00 0.00 0.00 179.97 178.01 3k9m n GLU 9 N -2.61 0.68 0.09 0.04 1.02 -0.76 -3.94 120.64 115.15 3k9m n GLU 9 Ca 0.00 0.08 -0.07 0.00 -0.02 0.00 0.00 57.16 57.15 3k9m n GLU 9 Cb 0.18 -1.55 0.03 0.00 -0.02 0.00 0.00 31.44 30.08 3k9m n GLU 9 CO 0.00 0.00 0.00 0.37 1.18 0.00 0.00 177.13 178.68 3k9m h GLN 10 N 0.00 0.20 -2.09 3.49 5.75 -1.35 -3.36 115.11 117.76 3k9m h GLN 10 Ca -0.54 -0.19 -0.52 0.00 -0.15 0.00 0.00 58.65 57.25 3k9m h GLN 10 Cb 2.10 0.05 -0.41 0.00 1.07 0.00 0.00 27.48 30.30 3k9m h GLN 10 CO -0.01 0.89 -1.02 0.91 -2.65 0.00 0.00 178.83 176.96 3k9m n TRP 11 N -3.72 1.37 0.17 3.99 8.01 -0.89 -4.95 117.44 121.42 3k9m n TRP 11 Ca -0.03 -3.87 0.09 0.00 -1.31 0.00 0.00 57.50 52.39 3k9m n TRP 11 Cb 0.75 -0.44 0.49 0.00 -2.01 0.00 0.00 31.31 30.09 3k9m n TRP 11 CO 0.00 0.00 0.00 -2.30 -1.01 0.00 0.00 177.69 174.38 3k9m n PRO 12 N 0.20 0.12 -0.01 -0.99 -0.02 -1.25 -2.34 135.00 130.71 3k9m n PRO 12 Ca 0.27 0.58 0.12 0.00 -2.02 0.00 0.00 63.50 62.45 3k9m n PRO 12 Cb 0.57 -1.87 0.65 0.00 -0.02 0.00 0.00 33.50 32.83 3k9m n PRO 12 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 3k9m n GLN 13 N -2.13 1.19 -3.79 -0.52 3.00 -1.26 -4.49 117.38 109.38 3k9m n GLN 13 Ca -0.01 -0.28 -0.33 0.00 -0.01 0.00 0.00 57.00 56.37 3k9m n GLN 13 Cb 0.06 -1.40 -0.10 0.00 0.00 0.00 0.00 30.24 28.80 3k9m n GLN 13 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 3k9m n PRO 15 N 2.64 -0.20 -0.07 0.00 -0.04 -1.26 -1.45 135.00 134.62 3k9m n PRO 15 Ca 0.15 1.18 0.25 0.00 -0.04 0.00 0.00 63.50 65.05 3k9m n PRO 15 Cb 0.36 -1.75 0.69 0.00 -0.04 0.00 0.00 33.50 32.76 3k9m n PRO 15 CO 0.00 0.00 0.00 1.79 -0.04 0.00 0.00 175.50 177.25 3k9m h THR 16 N 0.00 0.34 0.00 0.52 1.35 -1.93 0.33 112.91 113.51 3k9m h THR 16 Ca 0.25 0.00 -0.03 0.00 -0.55 0.00 0.00 66.41 66.08 3k9m h THR 16 Cb 0.44 0.48 -0.00 0.00 -1.73 0.00 0.00 68.15 67.34 3k9m h THR 16 CO -0.76 0.00 -0.14 0.40 -0.25 0.00 0.00 175.52 174.77 3k9m h ILE 17 N 0.00 0.32 -0.50 6.82 2.04 -1.63 -2.73 117.51 121.84 3k9m h ILE 17 Ca 0.34 -0.94 0.00 0.00 1.00 0.00 0.00 64.86 65.26 3k9m h ILE 17 Cb 1.69 1.72 0.00 0.00 -0.74 0.00 0.00 36.82 39.49 3k9m h ILE 17 CO -0.00 0.13 0.00 2.29 0.00 0.00 0.00 178.15 180.57 3k9m n LYS 18 N -3.26 2.56 -3.90 2.37 2.85 0.11 -4.77 118.16 114.13 3k9m n LYS 18 Ca 0.01 -2.39 -0.35 0.00 -1.05 0.00 0.00 58.31 54.53 3k9m n LYS 18 Cb 0.41 -1.51 -0.05 0.00 -0.65 0.00 0.00 35.03 33.22 3k9m n LYS 18 CO 0.00 0.00 0.00 -1.21 -0.05 0.00 0.00 177.40 176.14 3k9m s GLU 19 N -1.27 3.43 -0.14 -1.58 2.02 -1.03 -5.09 118.70 115.04 3k9m s GLU 19 Ca 0.41 -0.26 0.01 0.00 0.02 0.00 0.00 54.97 55.15 3k9m s GLU 19 Cb 0.23 -3.13 0.00 0.00 0.10 0.00 0.00 34.13 31.33 3k9m s GLU 19 CO 0.31 0.71 -0.18 0.42 0.02 0.00 0.00 175.26 176.54 3k9m s ILE 20 N -1.22 2.46 0.16 -1.63 -1.09 -1.26 -5.03 121.20 113.59 3k9m s ILE 20 Ca 0.23 -0.84 0.03 0.00 -2.23 0.00 0.00 60.65 57.83 3k9m s ILE 20 Cb -0.12 -2.02 -0.03 0.00 -1.58 0.00 0.00 42.46 38.70 3k9m s ILE 20 CO 0.14 0.53 0.30 -0.13 -1.23 0.00 0.00 174.94 174.54 3k9m s ARG 21 N 0.75 3.44 -0.28 2.79 0.52 -1.26 -4.78 118.95 120.14 3k9m s ARG 21 Ca -0.07 -0.60 -0.07 0.00 -0.52 0.00 0.00 55.73 54.46 3k9m s ARG 21 Cb -0.16 -2.95 -0.01 0.00 0.52 0.00 0.00 34.95 32.35 3k9m s ARG 21 CO 0.00 0.50 0.09 0.34 0.02 0.00 0.00 175.30 176.25 3k9m s ASP 22 N -3.32 5.18 0.31 0.23 -1.08 -1.25 -2.43 116.67 114.30 3k9m s ASP 22 Ca 0.35 -0.45 0.18 0.00 -0.52 0.00 0.00 52.55 52.11 3k9m s ASP 22 Cb -0.11 -1.92 0.13 0.00 -1.46 0.00 0.00 42.92 39.56 3k9m s ASP 22 CO 0.29 -0.12 1.43 -0.61 0.52 0.00 0.00 175.17 176.67 3k9m h GLN 23 N 8.26 0.00 0.00 4.34 4.15 -1.50 -3.45 115.11 126.90 3k9m h GLN 23 Ca -0.35 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.07 3k9m h GLN 23 Cb 1.15 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.84 3k9m h GLN 23 CO 0.60 0.32 0.00 0.41 -1.93 0.00 0.00 178.83 178.22 3k9m n GLY 24 N 1.20 -0.07 0.83 2.39 0.00 -1.26 -4.23 105.19 104.05 3k9m n GLY 24 Ca 0.02 -1.04 0.11 0.00 0.00 0.00 0.00 46.02 45.11 3k9m n GLY 24 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3k9m n SER 25 N 2.14 2.50 -4.25 1.61 7.64 -1.26 -4.74 113.62 117.26 3k9m n SER 25 Ca 0.00 -1.85 -0.21 0.00 1.01 0.00 0.00 58.87 57.82 3k9m n SER 25 Cb 0.00 -0.16 -0.12 0.00 -1.01 0.00 0.00 64.21 62.92 3k9m n SER 25 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3k9m n GLY 27 N 0.94 4.26 1.01 0.00 0.00 0.88 -4.47 105.19 107.83 3k9m n GLY 27 Ca -0.18 -1.54 0.08 0.00 0.00 0.00 0.00 46.02 44.38 3k9m n GLY 27 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3k9m n SER 28 N 5.41 3.67 -0.30 1.61 3.41 -1.26 -2.75 113.62 123.41 3k9m n SER 28 Ca 0.59 -2.26 0.13 0.00 -0.26 0.00 0.00 58.87 57.07 3k9m n SER 28 Cb 0.34 -0.40 0.30 0.00 -0.26 0.00 0.00 64.21 64.19 3k9m n SER 28 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3k9m h TRP 30 N 0.37 0.61 0.10 0.00 5.08 -1.81 0.86 115.95 121.16 3k9m h TRP 30 Ca 0.56 0.02 -0.25 0.00 1.08 0.00 0.00 58.89 60.30 3k9m h TRP 30 Cb 1.07 -0.19 0.02 0.00 -3.00 0.00 0.00 29.16 27.06 3k9m h TRP 30 CO -0.15 0.21 -1.04 0.00 -1.28 0.00 0.00 178.44 176.18 3k9m h ALA 31 N 1.62 -0.01 -0.16 0.11 0.00 0.45 -3.25 119.26 118.03 3k9m h ALA 31 Ca 0.42 -0.72 -0.02 0.00 0.00 0.00 0.00 54.91 54.59 3k9m h ALA 31 Cb 0.89 0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.77 3k9m h ALA 31 CO -0.16 0.56 0.01 0.74 0.00 0.00 0.00 179.25 180.40 3k9m h PHE 32 N 0.08 0.29 -0.69 0.00 -1.00 -0.67 -2.06 116.94 112.89 3k9m h PHE 32 Ca -0.16 -0.04 0.13 0.00 2.81 0.00 0.00 57.97 60.71 3k9m h PHE 32 Cb 1.75 -0.08 -0.09 0.00 3.61 0.00 0.00 35.95 41.14 3k9m h PHE 32 CO 0.14 0.46 0.22 0.78 -1.61 0.00 0.00 178.31 178.29 3k9m h GLY 33 N 0.03 0.97 0.55 -1.45 0.00 -0.97 0.21 103.07 102.41 3k9m h GLY 33 Ca 0.05 -0.09 -0.02 0.00 0.00 0.00 0.00 47.33 47.27 3k9m h GLY 33 CO 0.01 -0.11 -0.20 0.00 0.00 0.00 0.00 176.54 176.24 3k9m h ALA 34 N 1.52 -0.55 0.00 3.60 0.00 -1.58 -2.45 119.26 119.81 3k9m h ALA 34 Ca 0.37 -0.18 -0.02 0.00 0.00 0.00 0.00 54.91 55.08 3k9m h ALA 34 Cb 0.56 0.21 -0.00 0.00 0.00 0.00 0.00 17.79 18.56 3k9m h ALA 34 CO -0.41 -0.58 -0.10 -0.39 0.00 0.00 0.00 179.25 177.77 3k9m h VAL 35 N -1.01 0.74 0.09 0.00 -1.51 -1.26 -0.27 116.25 113.03 3k9m h VAL 35 Ca -0.06 -0.39 -0.25 0.00 -1.23 0.00 0.00 66.70 64.77 3k9m h VAL 35 Cb 0.54 1.23 -0.00 0.00 -2.13 0.00 0.00 31.29 30.93 3k9m h VAL 35 CO 0.09 0.10 -1.15 1.05 -1.23 0.00 0.00 177.57 176.43 3k9m h GLU 36 N 0.00 0.25 -0.22 5.19 4.11 -0.58 -0.77 114.58 122.56 3k9m h GLU 36 Ca -0.00 -0.38 -0.07 0.00 0.07 0.00 0.00 59.36 58.98 3k9m h GLU 36 Cb 0.22 0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.61 3k9m h GLU 36 CO 0.01 1.16 -0.13 0.00 0.07 0.00 0.00 179.01 180.12 3k9m h ALA 37 N 0.69 0.31 -0.29 1.06 0.00 -1.20 -0.96 119.26 118.87 3k9m h ALA 37 Ca -0.10 -0.31 0.06 0.00 0.00 0.00 0.00 54.91 54.55 3k9m h ALA 37 Cb 1.86 -0.07 -0.06 0.00 0.00 0.00 0.00 17.79 19.52 3k9m h ALA 37 CO 0.18 0.17 -0.08 0.82 0.00 0.00 0.00 179.25 180.34 3k9m h ILE 38 N 0.17 0.69 -0.34 0.00 2.04 -1.13 0.28 117.51 119.22 3k9m h ILE 38 Ca 0.05 0.00 0.07 0.00 1.00 0.00 0.00 64.86 65.98 3k9m h ILE 38 Cb 0.63 0.69 -0.08 0.00 -0.74 0.00 0.00 36.82 37.32 3k9m h ILE 38 CO 0.04 0.00 -0.28 0.28 0.00 0.00 0.00 178.15 178.18 3k9m h SER 39 N -0.02 -0.92 -0.28 1.72 0.02 -1.04 -1.13 113.55 111.89 3k9m h SER 39 Ca 0.14 0.17 0.05 0.00 -0.84 0.00 0.00 61.79 61.31 3k9m h SER 39 Cb 0.23 0.44 -0.05 0.00 0.14 0.00 0.00 62.40 63.16 3k9m h SER 39 CO -0.31 -0.30 -0.03 0.44 -1.14 0.00 0.00 176.83 175.50 3k9m h ASP 40 N -0.24 -0.18 0.48 3.07 3.32 -0.51 -2.82 116.42 119.54 3k9m h ASP 40 Ca 0.16 0.07 -0.07 0.00 0.02 0.00 0.00 57.03 57.21 3k9m h ASP 40 Cb 0.50 0.14 -0.01 0.00 0.22 0.00 0.00 39.33 40.18 3k9m h ASP 40 CO -0.47 -0.05 -0.33 0.03 -1.72 0.00 0.00 179.24 176.69 3k9m h ARG 41 N 0.05 0.00 -0.67 3.56 3.08 0.07 -2.02 114.38 118.46 3k9m h ARG 41 Ca 0.14 0.00 -0.08 0.00 0.07 0.00 0.00 59.98 60.10 3k9m h ARG 41 Cb 0.19 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.22 3k9m h ARG 41 CO -0.25 0.33 0.09 0.82 -1.07 0.00 0.00 179.97 179.89 3k9m h ILE 42 N 0.00 1.27 0.14 2.04 2.04 -0.97 -0.70 117.51 121.32 3k9m h ILE 42 Ca -0.00 -1.06 -0.01 0.00 1.00 0.00 0.00 64.86 64.79 3k9m h ILE 42 Cb 0.66 0.65 0.00 0.00 -0.74 0.00 0.00 36.82 37.40 3k9m h ILE 42 CO 0.04 0.40 -0.06 0.00 0.00 0.00 0.00 178.15 178.53 3k9m h ILE 44 N -0.52 1.14 0.00 0.00 2.04 -1.29 -1.50 117.51 117.38 3k9m h ILE 44 Ca -0.02 -0.27 0.00 0.00 1.00 0.00 0.00 64.86 65.58 3k9m h ILE 44 Cb 0.41 0.33 0.00 0.00 -0.74 0.00 0.00 36.82 36.82 3k9m h ILE 44 CO 0.03 0.14 0.00 1.41 0.00 0.00 0.00 178.15 179.73 3k9m n HIS 45 N -4.70 0.25 0.13 1.37 8.25 -0.28 -2.83 115.22 117.42 3k9m n HIS 45 Ca 0.03 0.10 0.02 0.00 -0.26 0.00 0.00 57.72 57.61 3k9m n HIS 45 Cb 0.02 -0.66 0.03 0.00 1.12 0.00 0.00 29.99 30.50 3k9m n HIS 45 CO 0.00 0.00 0.00 0.25 0.64 0.00 0.00 176.34 177.23 3k9m n THR 46 N -1.73 0.20 -2.12 1.59 -2.24 -0.63 -4.81 114.28 104.53 3k9m n THR 46 Ca 0.03 -0.60 -0.06 0.00 -2.27 0.00 0.00 64.05 61.15 3k9m n THR 46 Cb 0.20 0.98 -0.00 0.00 -2.10 0.00 0.00 70.33 69.41 3k9m n THR 46 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 3k9m n ASN 47 N 0.18 -2.53 0.00 3.42 3.02 -0.79 -3.10 115.26 115.46 3k9m n ASN 47 Ca 0.03 -0.01 0.00 0.00 -0.03 0.00 0.00 54.58 54.57 3k9m n ASN 47 Cb 0.15 -1.88 0.00 0.00 -0.61 0.00 0.00 39.78 37.44 3k9m n ASN 47 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3k9m n ALA 48 N -1.31 0.00 0.10 5.41 0.00 -0.80 -4.93 120.51 118.98 3k9m n ALA 48 Ca -0.08 0.00 0.01 0.00 0.00 0.00 0.00 53.44 53.37 3k9m n ALA 48 Cb 0.56 0.00 0.32 0.00 0.00 0.00 0.00 19.45 20.33 3k9m n ALA 48 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 3k9m h HIS 49 N 0.00 0.29 -3.36 0.00 3.86 -1.80 -3.39 115.15 110.75 3k9m h HIS 49 Ca 0.00 -0.05 -0.63 0.00 -1.16 0.00 0.00 60.37 58.53 3k9m h HIS 49 Cb 0.00 -0.08 -0.36 0.00 1.06 0.00 0.00 27.41 28.03 3k9m h HIS 49 CO 0.00 0.47 -0.82 0.08 0.86 0.00 0.00 177.93 178.52 3k9m s VAL 50 N -4.54 1.78 -0.23 2.45 1.01 -1.26 -5.08 120.40 114.54 3k9m s VAL 50 Ca -0.05 -1.02 0.01 0.00 0.00 0.00 0.00 61.98 60.92 3k9m s VAL 50 Cb 0.15 -1.78 0.05 0.00 0.00 0.00 0.00 36.38 34.80 3k9m s VAL 50 CO 0.75 0.26 -0.08 -0.44 0.00 0.00 0.00 175.10 175.59 3k9m s SER 51 N 1.35 3.83 0.06 3.32 0.01 -1.26 -3.73 113.70 117.27 3k9m s SER 51 Ca -0.00 -1.13 0.02 0.00 1.31 0.00 0.00 55.95 56.15 3k9m s SER 51 Cb -0.16 -1.28 -0.03 0.00 0.21 0.00 0.00 66.02 64.77 3k9m s SER 51 CO -0.09 -0.19 -0.07 0.68 0.41 0.00 0.00 173.24 173.97 3k9m s VAL 52 N 1.33 0.58 -0.84 3.43 -7.23 -1.26 -1.23 120.40 115.17 3k9m s VAL 52 Ca -0.05 -1.31 -0.12 0.00 -1.81 0.00 0.00 61.98 58.69 3k9m s VAL 52 Cb -0.18 -0.90 0.22 0.00 0.56 0.00 0.00 36.38 36.08 3k9m s VAL 52 CO -0.07 -0.52 0.77 -0.70 -0.31 0.00 0.00 175.10 174.28 3k9m s GLU 53 N -2.19 3.56 0.31 4.82 2.12 0.29 -4.75 118.70 122.86 3k9m s GLU 53 Ca -0.04 -2.56 -0.25 0.00 0.36 0.00 0.00 54.97 52.48 3k9m s GLU 53 Cb -0.06 -4.37 -0.15 0.00 0.26 0.00 0.00 34.13 29.81 3k9m s GLU 53 CO -0.01 -1.27 0.50 0.28 -0.54 0.00 0.00 175.26 174.22 3k9m n VAL 54 N 3.78 1.64 -2.13 3.70 0.31 -1.26 -0.59 118.33 123.78 3k9m n VAL 54 Ca 0.14 -0.50 -0.43 0.00 -0.01 0.00 0.00 64.34 63.54 3k9m n VAL 54 Cb 0.45 -0.27 -0.02 0.00 -0.91 0.00 0.00 33.84 33.09 3k9m n VAL 54 CO 0.00 0.00 0.00 -0.55 -1.32 0.00 0.00 176.83 174.96 3k9m s SER 55 N -0.92 6.11 0.13 4.52 0.15 0.96 -4.49 113.70 120.16 3k9m s SER 55 Ca 0.62 1.20 -0.12 0.00 0.70 0.00 0.00 55.95 58.34 3k9m s SER 55 Cb -0.76 -2.53 -0.06 0.00 -1.71 0.00 0.00 66.02 60.96 3k9m s SER 55 CO 0.59 -1.55 1.45 0.00 1.20 0.00 0.00 173.24 174.93 3k9m h ALA 56 N 11.83 0.51 -0.57 5.45 0.00 -1.86 -2.57 119.26 132.05 3k9m h ALA 56 Ca -0.32 -0.44 0.10 0.00 0.00 0.00 0.00 54.91 54.26 3k9m h ALA 56 Cb 1.15 -0.11 -0.08 0.00 0.00 0.00 0.00 17.79 18.75 3k9m h ALA 56 CO 1.04 0.60 0.13 1.49 0.00 0.00 0.00 179.25 182.51 3k9m h GLU 57 N 0.65 0.26 -0.46 0.00 4.57 -1.80 -1.24 114.58 116.55 3k9m h GLU 57 Ca 0.05 -0.02 0.01 0.00 -1.18 0.00 0.00 59.36 58.23 3k9m h GLU 57 Cb 0.95 -0.06 -0.03 0.00 -0.16 0.00 0.00 28.75 29.46 3k9m h GLU 57 CO 0.09 0.17 0.29 0.22 -1.18 0.00 0.00 179.01 178.60 3k9m h ASP 58 N 0.26 0.49 -0.42 1.04 3.58 -1.74 0.50 116.42 120.13 3k9m h ASP 58 Ca 0.30 -0.00 -0.01 0.00 0.42 0.00 0.00 57.03 57.73 3k9m h ASP 58 Cb 0.42 -0.11 -0.02 0.00 1.72 0.00 0.00 39.33 41.34 3k9m h ASP 58 CO -0.38 0.35 0.22 0.25 -2.88 0.00 0.00 179.24 176.80 3k9m h LEU 59 N 0.59 0.54 -0.16 2.28 5.85 -1.18 0.19 115.31 123.41 3k9m h LEU 59 Ca 0.18 -0.11 -0.15 0.00 0.84 0.00 0.00 57.88 58.64 3k9m h LEU 59 Cb -0.03 -0.14 0.00 0.00 0.37 0.00 0.00 40.66 40.87 3k9m h LEU 59 CO -0.06 0.49 -0.48 0.25 -0.34 0.00 0.00 178.44 178.30 3k9m h LEU 60 N 0.54 0.70 0.00 2.25 5.85 -0.89 -2.80 115.31 120.97 3k9m h LEU 60 Ca 0.15 -0.59 -0.25 0.00 0.84 0.00 0.00 57.88 58.03 3k9m h LEU 60 Cb 0.08 -0.21 -0.04 0.00 0.37 0.00 0.00 40.66 40.86 3k9m h LEU 60 CO -0.02 1.17 -1.84 0.35 -0.34 0.00 0.00 178.44 177.76 3k9m n THR 61 N -4.20 1.26 -0.11 1.05 -2.24 0.17 -3.35 114.28 106.87 3k9m n THR 61 Ca -0.07 -0.75 -0.12 0.00 -2.27 0.00 0.00 64.05 60.84 3k9m n THR 61 Cb 0.58 -0.68 -0.14 0.00 -2.10 0.00 0.00 70.33 67.99 3k9m n THR 61 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3k9m n GLY 64 N -0.87 3.37 0.25 0.00 0.00 -1.21 -1.99 105.19 104.73 3k9m n GLY 64 Ca 0.06 0.19 0.13 0.00 0.00 0.00 0.00 46.02 46.40 3k9m n GLY 64 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3k9m h SER 65 N 0.00 0.00 1.60 1.61 4.64 -1.88 -3.26 113.55 116.26 3k9m h SER 65 Ca 0.00 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.31 3k9m h SER 65 Cb 0.00 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.09 3k9m h SER 65 CO 0.00 0.13 -0.07 -0.03 -0.87 0.00 0.00 176.83 175.99 3k9m h MET 66 N 0.00 0.00 -0.02 4.77 1.85 -1.78 -3.21 114.93 116.54 3k9m h MET 66 Ca -0.00 0.00 0.00 0.00 -0.61 0.00 0.00 59.70 59.09 3k9m h MET 66 Cb 0.61 0.00 0.00 0.00 0.43 0.00 0.00 31.60 32.64 3k9m h MET 66 CO 0.02 0.07 -0.02 0.00 -0.40 0.00 0.00 176.91 176.58 3k9m n GLY 68 N 1.01 0.07 2.54 0.00 0.00 -1.21 0.21 105.19 107.81 3k9m n GLY 68 Ca 0.10 -0.72 -0.13 0.00 0.00 0.00 0.00 46.02 45.27 3k9m n GLY 68 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3k9m n ASP 69 N 0.00 2.87 0.00 1.61 2.03 -0.98 -4.59 116.55 117.48 3k9m n ASP 69 Ca 0.00 -2.93 0.00 0.00 0.52 0.00 0.00 54.79 52.38 3k9m n ASP 69 Cb 0.00 -0.46 0.00 0.00 -0.72 0.00 0.00 41.12 39.94 3k9m n ASP 69 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3k9m n GLY 70 N -0.44 3.60 0.00 0.27 0.00 -1.17 -1.70 105.19 105.75 3k9m n GLY 70 Ca 0.22 0.23 0.02 0.00 0.00 0.00 0.00 46.02 46.48 3k9m n GLY 70 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3k9m n ASN 72 N -0.55 2.81 0.00 0.00 3.02 -0.69 -0.08 115.26 119.77 3k9m n ASN 72 Ca 0.02 -2.98 0.00 0.00 -0.03 0.00 0.00 54.58 51.59 3k9m n ASN 72 Cb 0.01 -0.44 0.00 0.00 -0.61 0.00 0.00 39.78 38.74 3k9m n ASN 72 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3k9m n GLY 73 N -1.06 0.76 0.00 7.41 0.00 -1.11 -4.77 105.19 106.42 3k9m n GLY 73 Ca 0.17 -2.26 0.00 0.00 0.00 0.00 0.00 46.02 43.93 3k9m n GLY 73 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3k9m n GLY 74 N -0.87 -2.30 2.93 -0.02 0.00 -1.26 -2.33 105.19 101.34 3k9m n GLY 74 Ca 0.00 -1.37 -0.24 0.00 0.00 0.00 0.00 46.02 44.41 3k9m n GLY 74 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3k9m s TYR 75 N -2.10 1.27 0.10 1.61 1.51 0.13 -4.92 117.35 114.96 3k9m s TYR 75 Ca 0.00 -0.52 -0.32 0.00 -1.01 0.00 0.00 57.07 55.22 3k9m s TYR 75 Cb 0.00 -1.03 -0.12 0.00 -0.11 0.00 0.00 41.96 40.69 3k9m s TYR 75 CO 0.00 -0.36 1.59 -1.35 -1.11 0.00 0.00 175.55 174.32 3k9m h PRO 76 N 7.58 -0.71 0.00 -1.71 0.11 -1.88 -1.44 132.00 133.95 3k9m h PRO 76 Ca -0.31 0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.85 3k9m h PRO 76 Cb 1.15 0.16 0.00 0.00 0.11 0.00 0.00 31.00 32.43 3k9m h PRO 76 CO 0.43 -0.47 0.01 0.00 -0.21 0.00 0.00 178.00 177.76 3k9m n ALA 77 N -2.80 1.06 -0.11 -0.75 0.00 -1.26 -1.71 120.51 114.93 3k9m n ALA 77 Ca -0.09 0.00 -0.17 0.00 0.00 0.00 0.00 53.44 53.18 3k9m n ALA 77 Cb 0.39 -0.98 -0.13 0.00 0.00 0.00 0.00 19.45 18.73 3k9m n ALA 77 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 3k9m n GLU 78 N -1.42 0.66 -0.28 0.00 1.02 -0.80 -3.37 120.64 116.46 3k9m n GLU 78 Ca 0.00 0.14 0.04 0.00 -0.02 0.00 0.00 57.16 57.32 3k9m n GLU 78 Cb 0.01 -1.54 0.17 0.00 -0.02 0.00 0.00 31.44 30.06 3k9m n GLU 78 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3k9m h ALA 79 N 0.14 1.15 -0.05 0.62 0.00 -0.39 -1.53 119.26 119.19 3k9m h ALA 79 Ca -0.56 0.05 -0.03 0.00 0.00 0.00 0.00 54.91 54.37 3k9m h ALA 79 Cb 1.96 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.67 3k9m h ALA 79 CO -0.06 0.00 -0.09 -1.49 0.00 0.00 0.00 179.25 177.61 3k9m h TRP 80 N 0.69 0.20 -0.90 0.00 4.06 -1.62 -2.61 115.95 115.76 3k9m h TRP 80 Ca 0.40 -0.07 0.18 0.00 2.06 0.00 0.00 58.89 61.46 3k9m h TRP 80 Cb 0.45 -0.04 -0.11 0.00 -1.00 0.00 0.00 29.16 28.46 3k9m h TRP 80 CO -0.08 0.68 0.46 -0.91 -3.56 0.00 0.00 178.44 175.03 3k9m h ASN 81 N -0.34 0.53 0.20 -3.49 4.21 -1.52 -2.46 115.58 112.70 3k9m h ASN 81 Ca 0.00 0.11 -0.06 0.00 1.21 0.00 0.00 56.30 57.56 3k9m h ASN 81 Cb 0.66 0.04 -0.01 0.00 -1.12 0.00 0.00 38.32 37.89 3k9m h ASN 81 CO 0.02 0.16 -0.25 0.15 -1.29 0.00 0.00 177.43 176.22 3k9m h PHE 82 N 0.58 0.12 -0.68 1.19 3.04 -1.14 -1.64 116.94 118.41 3k9m h PHE 82 Ca 0.52 -0.02 -0.02 0.00 3.98 0.00 0.00 57.97 62.43 3k9m h PHE 82 Cb 0.84 -0.03 -0.03 0.00 2.56 0.00 0.00 35.95 39.29 3k9m h PHE 82 CO -0.08 0.36 0.34 2.35 -2.02 0.00 0.00 178.31 179.26 3k9m h TRP 83 N 0.10 0.95 -0.26 0.41 7.01 -1.06 0.87 115.95 123.97 3k9m h TRP 83 Ca 0.02 -0.03 -0.11 0.00 2.11 0.00 0.00 58.89 60.88 3k9m h TRP 83 Cb 0.51 -0.30 -0.00 0.00 -2.10 0.00 0.00 29.16 27.26 3k9m h TRP 83 CO 0.00 0.68 -0.27 1.15 -2.79 0.00 0.00 178.44 177.21 3k9m h THR 84 N 0.96 1.31 0.14 2.65 2.02 -1.20 -1.95 112.91 116.84 3k9m h THR 84 Ca 0.24 -1.45 -0.01 0.00 0.77 0.00 0.00 66.41 65.97 3k9m h THR 84 Cb 0.07 1.66 0.00 0.00 -1.74 0.00 0.00 68.15 68.14 3k9m h THR 84 CO -0.03 0.46 -0.07 0.03 0.37 0.00 0.00 175.52 176.27 3k9m h ARG 85 N 0.35 -0.19 -0.00 6.66 3.08 -1.08 -3.42 114.38 119.79 3k9m h ARG 85 Ca 0.04 0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.10 3k9m h ARG 85 Cb 0.84 0.04 0.00 0.00 0.08 0.00 0.00 29.97 30.93 3k9m h ARG 85 CO 0.07 -0.12 -0.14 1.63 -1.07 0.00 0.00 179.97 180.34 3k9m n LYS 86 N -4.19 2.25 -1.04 0.04 5.02 0.24 -5.06 118.16 115.43 3k9m n LYS 86 Ca -0.02 -0.50 0.13 0.00 -2.02 0.00 0.00 58.31 55.90 3k9m n LYS 86 Cb 0.08 -0.98 -0.05 0.00 -0.02 0.00 0.00 35.03 34.06 3k9m n LYS 86 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3k9m n GLY 87 N 0.74 -2.34 3.13 0.72 0.00 -0.77 -4.94 105.19 101.73 3k9m n GLY 87 Ca 0.03 -1.22 -0.23 0.00 0.00 0.00 0.00 46.02 44.60 3k9m n GLY 87 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3k9m s LEU 88 N -6.46 2.05 0.00 0.99 1.43 -1.02 -4.78 118.68 110.89 3k9m s LEU 88 Ca 0.00 -0.30 0.00 0.00 -1.03 0.00 0.00 54.13 52.80 3k9m s LEU 88 Cb 0.00 -0.75 0.00 0.00 0.03 0.00 0.00 46.19 45.47 3k9m s LEU 88 CO 0.00 0.16 0.00 1.33 0.23 0.00 0.00 176.35 178.07 3k9m n VAL 89 N 2.60 0.00 -3.33 -1.59 0.24 -1.26 -0.82 118.33 114.16 3k9m n VAL 89 Ca -0.15 0.00 -0.15 0.00 -2.04 0.00 0.00 64.34 62.00 3k9m n VAL 89 Cb 0.55 -1.83 0.03 0.00 -1.47 0.00 0.00 33.84 31.11 3k9m n VAL 89 CO 0.00 0.00 0.00 -1.54 -2.14 0.00 0.00 176.83 173.15 3k9m n SER 90 N 0.00 1.75 -1.08 -1.34 3.41 -1.26 -0.02 113.62 115.07 3k9m n SER 90 Ca 0.00 -2.15 -0.04 0.00 -0.26 0.00 0.00 58.87 56.42 3k9m n SER 90 Cb 0.00 -0.18 -0.02 0.00 -0.26 0.00 0.00 64.21 63.75 3k9m n SER 90 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3k9m n GLY 91 N 0.33 0.32 0.00 5.00 0.00 0.24 -0.05 105.19 111.02 3k9m n GLY 91 Ca 0.06 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.06 3k9m n GLY 91 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3k9m n GLY 92 N -0.18 3.01 2.86 -0.02 0.00 -1.22 -4.55 105.19 105.10 3k9m n GLY 92 Ca -0.18 0.09 -0.14 0.00 0.00 0.00 0.00 46.02 45.79 3k9m n GLY 92 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3k9m s LEU 93 N 0.00 1.15 -0.14 0.99 1.98 -1.26 0.10 118.68 121.51 3k9m s LEU 93 Ca 0.00 0.14 -0.18 0.00 -2.89 0.00 0.00 54.13 51.20 3k9m s LEU 93 Cb 0.00 0.13 -0.04 0.00 0.66 0.00 0.00 46.19 46.94 3k9m s LEU 93 CO 0.00 -0.11 0.46 -0.31 -1.89 0.00 0.00 176.35 174.51 3k9m s TYR 94 N 0.83 3.48 0.00 5.38 2.02 -0.37 -3.36 117.35 125.34 3k9m s TYR 94 Ca -0.07 0.84 0.00 0.00 -0.37 0.00 0.00 57.07 57.47 3k9m s TYR 94 Cb -0.09 -2.55 0.00 0.00 -0.40 0.00 0.00 41.96 38.92 3k9m s TYR 94 CO -0.03 0.13 0.00 -1.91 -1.57 0.00 0.00 175.55 172.17 3k9m n GLU 95 N 3.84 0.00 0.00 -0.62 4.07 -1.26 -4.84 120.64 121.82 3k9m n GLU 95 Ca -0.07 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.03 3k9m n GLU 95 Cb 0.51 0.00 0.00 0.00 -0.06 0.00 0.00 31.44 31.89 3k9m n GLU 95 CO 0.00 0.00 0.00 0.43 -0.06 0.00 0.00 177.13 177.50 3k9m n SER 96 N 0.00 0.00 0.00 4.31 7.64 -1.21 -4.97 113.62 119.39 3k9m n SER 96 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 3k9m n SER 96 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 3k9m n SER 96 CO 0.00 0.00 0.00 1.57 -3.01 0.00 0.00 175.04 173.60 3k9m n HIS 97 N 0.00 0.00 0.00 1.43 -0.00 -1.25 -4.38 115.22 111.02 3k9m n HIS 97 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.72 3k9m n HIS 97 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 29.99 3k9m n HIS 97 CO 0.00 0.00 0.00 0.28 -0.00 0.00 0.00 176.34 176.62 3k9m n VAL 98 N 0.00 0.00 -1.00 3.57 0.31 -1.26 -4.93 118.33 115.01 3k9m n VAL 98 Ca 0.00 0.00 -0.22 0.00 -0.01 0.00 0.00 64.34 64.11 3k9m n VAL 98 Cb 0.00 0.00 0.18 0.00 -0.91 0.00 0.00 33.84 33.11 3k9m n VAL 98 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3k9m n GLY 99 N -0.12 -2.52 0.03 2.92 0.00 -1.26 -4.56 105.19 99.67 3k9m n GLY 99 Ca 0.00 -1.51 -0.01 0.00 0.00 0.00 0.00 46.02 44.50 3k9m n GLY 99 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3k9m n ARG 101 N -3.56 2.00 -1.03 0.00 1.74 0.92 -1.30 116.66 115.43 3k9m n ARG 101 Ca -0.01 -4.50 -0.28 0.00 -0.77 0.00 0.00 57.85 52.29 3k9m n ARG 101 Cb 0.03 -2.31 0.20 0.00 -1.02 0.00 0.00 32.46 29.36 3k9m n ARG 101 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 3k9m s PRO 102 N -1.49 0.02 -0.54 5.56 0.04 -1.26 -4.12 135.00 133.22 3k9m s PRO 102 Ca 0.26 0.55 -0.26 0.00 0.04 0.00 0.00 61.00 61.59 3k9m s PRO 102 Cb -0.04 -1.69 0.03 0.00 0.04 0.00 0.00 34.50 32.85 3k9m s PRO 102 CO -0.16 -3.02 1.05 -0.47 0.04 0.00 0.00 177.00 174.44 3k9m s TYR 103 N -2.86 2.74 -0.31 0.56 5.04 -1.26 -4.56 117.35 116.70 3k9m s TYR 103 Ca 0.66 0.25 0.20 0.00 -2.44 0.00 0.00 57.07 55.74 3k9m s TYR 103 Cb -0.20 -4.25 0.20 0.00 0.35 0.00 0.00 41.96 38.06 3k9m s TYR 103 CO 0.59 -1.40 1.49 0.77 -1.34 0.00 0.00 175.55 175.66 3k9m h SER 104 N 9.36 0.00 -2.83 4.32 0.02 -2.00 -3.44 113.55 118.98 3k9m h SER 104 Ca -0.25 0.00 -0.56 0.00 -0.84 0.00 0.00 61.79 60.13 3k9m h SER 104 Cb 1.07 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 63.58 3k9m h SER 104 CO 1.12 0.21 1.09 -0.63 -1.14 0.00 0.00 176.83 177.48 3k9m s ILE 105 N -3.11 3.79 0.94 3.27 1.01 -1.26 -4.96 121.20 120.88 3k9m s ILE 105 Ca 0.05 0.89 -0.11 0.00 0.00 0.00 0.00 60.65 61.49 3k9m s ILE 105 Cb 0.06 -3.79 0.14 0.00 0.01 0.00 0.00 42.46 38.88 3k9m s ILE 105 CO 0.71 -0.31 1.00 -0.81 0.00 0.00 0.00 174.94 175.53 3k9m n PRO 106 N 7.54 -0.56 -2.21 2.79 -0.04 -1.26 -4.81 135.00 136.46 3k9m n PRO 106 Ca 0.18 -0.10 -0.26 0.00 -0.04 0.00 0.00 63.50 63.27 3k9m n PRO 106 Cb 0.45 -2.27 0.09 0.00 -0.04 0.00 0.00 33.50 31.73 3k9m n PRO 106 CO 0.00 0.00 0.00 -1.25 -0.04 0.00 0.00 175.50 174.21 3k9m s PRO 107 N -4.44 1.94 -0.04 0.54 0.04 -1.26 -4.31 135.00 127.46 3k9m s PRO 107 Ca 0.65 -0.37 0.06 0.00 0.04 0.00 0.00 61.00 61.39 3k9m s PRO 107 Cb -0.23 -2.14 -0.10 0.00 0.04 0.00 0.00 34.50 32.07 3k9m s PRO 107 CO 0.60 -1.42 0.08 0.00 0.04 0.00 0.00 177.00 176.31 3k9m s GLU 109 N -2.31 3.46 0.00 0.00 0.41 -1.26 -4.66 118.70 114.34 3k9m s GLU 109 Ca -0.03 -0.22 0.00 0.00 -0.41 0.00 0.00 54.97 54.31 3k9m s GLU 109 Cb 0.03 -3.13 0.00 0.00 -1.78 0.00 0.00 34.13 29.25 3k9m s GLU 109 CO 0.28 0.71 0.00 -2.39 -0.49 0.00 0.00 175.26 173.37 3k9m n HIS 110 N 1.33 0.00 0.00 1.61 1.44 -1.26 -4.94 115.22 113.40 3k9m n HIS 110 Ca -0.14 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.57 3k9m n HIS 110 Cb 0.53 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.64 3k9m n HIS 110 CO 0.00 0.00 0.00 1.58 -2.81 0.00 0.00 176.34 175.11 3k9m n HIS 111 N 0.00 0.00 0.00 -1.40 -0.00 -1.26 -5.08 115.22 107.47 3k9m n HIS 111 Ca 0.00 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.18 3k9m n HIS 111 Cb 0.00 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 29.87 3k9m n HIS 111 CO 0.00 0.00 0.00 0.28 0.46 0.00 0.00 176.34 177.08 3k9m n VAL 112 N 0.00 0.00 0.00 3.57 0.31 -1.26 -3.97 118.33 116.97 3k9m n VAL 112 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 3k9m n VAL 112 Cb 0.00 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 32.93 3k9m n VAL 112 CO 0.00 0.00 0.00 0.59 -1.32 0.00 0.00 176.83 176.10 3k9m n ASN 113 N -1.42 0.00 0.00 4.52 3.02 -1.26 -4.05 115.26 116.07 3k9m n ASN 113 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.55 3k9m n ASN 113 Cb 0.00 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.17 3k9m n ASN 113 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3k9m n GLY 114 N 0.00 -0.22 1.52 7.41 0.00 -1.26 -5.11 105.19 107.53 3k9m n GLY 114 Ca 0.00 0.77 0.00 0.00 0.00 0.00 0.00 46.02 46.79 3k9m n GLY 114 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3k9m n SER 115 N 0.00 -6.32 -3.00 1.61 3.41 -1.26 -4.86 113.62 103.21 3k9m n SER 115 Ca 0.00 0.89 -0.35 0.00 -0.26 0.00 0.00 58.87 59.15 3k9m n SER 115 Cb 0.00 -3.50 -0.09 0.00 -0.26 0.00 0.00 64.21 60.36 3k9m n SER 115 CO 0.00 0.00 0.00 -2.11 -0.16 0.00 0.00 175.04 172.77 3k9m n ARG 116 N 1.16 0.00 -2.60 4.33 1.85 -1.26 -4.85 116.66 115.29 3k9m n ARG 116 Ca 0.00 0.00 -0.00 0.00 -1.00 0.00 0.00 57.85 56.85 3k9m n ARG 116 Cb 0.00 -1.03 0.06 0.00 -1.05 0.00 0.00 32.46 30.44 3k9m n ARG 116 CO 0.00 0.00 0.00 -0.35 -0.01 0.00 0.00 177.63 177.27 3k9m n PRO 117 N 5.47 1.41 -0.23 2.89 -0.04 -1.26 -5.09 135.00 138.16 3k9m n PRO 117 Ca 0.41 -2.71 -0.09 0.00 -0.04 0.00 0.00 63.50 61.07 3k9m n PRO 117 Cb -0.01 -0.88 -0.07 0.00 -0.04 0.00 0.00 33.50 32.50 3k9m n PRO 117 CO 0.00 0.00 0.00 -1.00 -0.04 0.00 0.00 175.50 174.46 3k9m h PRO 118 N 1.97 -0.10 0.00 0.54 0.13 -1.84 -3.33 132.00 129.37 3k9m h PRO 118 Ca -0.24 0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.90 3k9m h PRO 118 Cb 1.34 0.02 0.00 0.00 0.13 0.00 0.00 31.00 32.50 3k9m h PRO 118 CO 0.06 -0.07 0.00 0.00 -0.23 0.00 0.00 178.00 177.77 3k9m n THR 120 N 0.00 -0.14 0.00 0.00 -2.24 -1.25 -4.56 114.28 106.09 3k9m n THR 120 Ca 0.00 -0.02 0.00 0.00 -2.27 0.00 0.00 64.05 61.76 3k9m n THR 120 Cb 0.00 -0.12 0.00 0.00 -2.10 0.00 0.00 70.33 68.11 3k9m n THR 120 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3k9m n GLY 121 N -0.87 2.33 0.13 3.38 0.00 -1.26 -5.04 105.19 103.86 3k9m n GLY 121 Ca -0.01 -0.08 -0.05 0.00 0.00 0.00 0.00 46.02 45.88 3k9m n GLY 121 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 3k9m h GLU 122 N 0.00 -0.31 -6.56 1.61 4.11 -1.96 -3.47 114.58 108.00 3k9m h GLU 122 Ca 0.00 0.02 -0.36 0.00 0.07 0.00 0.00 59.36 59.09 3k9m h GLU 122 Cb 0.00 0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.31 3k9m h GLU 122 CO 0.00 -0.20 -0.71 0.41 0.07 0.00 0.00 179.01 178.57 3k9m n GLY 123 N -0.30 -0.74 3.15 1.06 0.00 -1.26 -4.94 105.19 102.16 3k9m n GLY 123 Ca -0.04 0.33 0.04 0.00 0.00 0.00 0.00 46.02 46.35 3k9m n GLY 123 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 3k9m s ASP 124 N -3.20 -1.54 -0.23 1.61 3.84 -1.26 -5.07 116.67 110.82 3k9m s ASP 124 Ca 0.13 0.23 -0.21 0.00 -0.00 0.00 0.00 52.55 52.69 3k9m s ASP 124 Cb -0.07 1.99 -0.09 0.00 -1.38 0.00 0.00 42.92 43.37 3k9m s ASP 124 CO 0.62 -0.28 0.87 0.35 -0.00 0.00 0.00 175.17 176.72 3k9m n THR 125 N 5.40 0.00 -1.19 2.11 -2.24 -1.26 -4.91 114.28 112.19 3k9m n THR 125 Ca 0.05 0.00 -0.24 0.00 -2.27 0.00 0.00 64.05 61.59 3k9m n THR 125 Cb 0.54 -0.23 0.19 0.00 -2.10 0.00 0.00 70.33 68.73 3k9m n THR 125 CO 0.00 0.00 0.00 -2.65 -0.57 0.00 0.00 175.07 171.85 3k9m n PRO 126 N 2.65 -2.18 -2.67 -0.78 -0.02 -1.26 -5.04 135.00 125.70 3k9m n PRO 126 Ca 0.20 -1.48 -0.28 0.00 -2.02 0.00 0.00 63.50 59.93 3k9m n PRO 126 Cb -0.02 -1.24 -0.00 0.00 -0.02 0.00 0.00 33.50 32.21 3k9m n PRO 126 CO 0.00 0.00 0.00 -1.59 1.98 0.00 0.00 175.50 175.89 3k9m s LYS 127 N -5.09 3.56 0.29 -0.52 -2.85 -1.26 -4.79 119.74 109.09 3k9m s LYS 127 Ca 0.58 0.22 -0.29 0.00 -1.00 0.00 0.00 55.97 55.47 3k9m s LYS 127 Cb -0.04 -2.38 -0.11 0.00 -2.06 0.00 0.00 37.83 33.24 3k9m s LYS 127 CO 0.43 -0.18 1.45 0.00 0.10 0.00 0.00 175.35 177.15 3k9m s SER 129 N 0.14 -0.12 -0.32 0.00 0.01 -1.26 -5.02 113.70 107.13 3k9m s SER 129 Ca 0.57 -0.54 -0.05 0.00 1.31 0.00 0.00 55.95 57.25 3k9m s SER 129 Cb -0.43 1.30 -0.13 0.00 0.21 0.00 0.00 66.02 66.97 3k9m s SER 129 CO 0.49 -0.30 2.38 0.29 0.41 0.00 0.00 173.24 176.51 3k9m n LYS 130 N 5.05 1.59 -4.22 12.44 5.02 -1.26 -4.67 118.16 132.11 3k9m n LYS 130 Ca 0.05 -0.92 -0.17 0.00 -2.02 0.00 0.00 58.31 55.24 3k9m n LYS 130 Cb 0.51 -2.03 -0.15 0.00 -0.02 0.00 0.00 35.03 33.34 3k9m n LYS 130 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 3k9m s ILE 131 N 2.22 0.51 0.11 -0.18 1.09 -1.26 -4.69 121.20 119.00 3k9m s ILE 131 Ca 0.42 -0.25 -0.31 0.00 -1.10 0.00 0.00 60.65 59.42 3k9m s ILE 131 Cb 0.17 -0.45 -0.07 0.00 -1.06 0.00 0.00 42.46 41.05 3k9m s ILE 131 CO -0.01 0.16 1.25 0.00 -0.10 0.00 0.00 174.94 176.24 3k9m s GLU 133 N 0.71 3.57 0.20 0.00 0.41 -0.42 -4.81 118.70 118.35 3k9m s GLU 133 Ca 0.59 2.22 -0.12 0.00 -0.41 0.00 0.00 54.97 57.25 3k9m s GLU 133 Cb -0.32 -4.27 -0.08 0.00 -1.78 0.00 0.00 34.13 27.68 3k9m s GLU 133 CO 0.32 -1.61 0.07 -2.30 -0.49 0.00 0.00 175.26 171.25 3k9m n PRO 134 N 8.21 0.00 0.00 0.39 -0.02 -1.26 -4.16 135.00 138.17 3k9m n PRO 134 Ca 0.25 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.73 3k9m n PRO 134 Cb 0.44 -0.53 0.00 0.00 -0.02 0.00 0.00 33.50 33.39 3k9m n PRO 134 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3k9m n GLY 135 N 1.22 2.92 3.69 -1.23 0.00 -1.26 -5.06 105.19 105.47 3k9m n GLY 135 Ca 0.06 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.69 3k9m n GLY 135 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 3k9m s TYR 136 N -2.68 3.45 0.01 1.61 5.04 -1.26 -5.05 117.35 118.47 3k9m s TYR 136 Ca 0.00 0.93 0.02 0.00 -2.44 0.00 0.00 57.07 55.58 3k9m s TYR 136 Cb 0.00 -2.69 -0.04 0.00 0.35 0.00 0.00 41.96 39.58 3k9m s TYR 136 CO 0.00 -0.01 -0.03 -1.12 -1.34 0.00 0.00 175.55 173.05 3k9m s SER 137 N 0.95 4.88 0.00 4.32 0.01 -1.26 -4.73 113.70 117.87 3k9m s SER 137 Ca 0.28 -0.08 0.00 0.00 1.31 0.00 0.00 55.95 57.46 3k9m s SER 137 Cb -0.16 -1.21 0.00 0.00 0.21 0.00 0.00 66.02 64.87 3k9m s SER 137 CO 0.11 0.28 0.00 -0.81 0.41 0.00 0.00 173.24 173.23 3k9m n PRO 138 N 1.42 0.81 -3.39 12.44 -0.05 -1.26 -5.09 135.00 139.89 3k9m n PRO 138 Ca -0.15 0.00 -0.25 0.00 -0.05 0.00 0.00 63.50 63.05 3k9m n PRO 138 Cb 0.53 0.00 -0.02 0.00 -0.05 0.00 0.00 33.50 33.96 3k9m n PRO 138 CO 0.00 0.00 0.00 0.95 -0.05 0.00 0.00 175.50 176.40 3k9m s THR 139 N 3.01 5.10 0.09 0.52 -4.23 -1.26 -4.89 115.64 113.98 3k9m s THR 139 Ca 0.00 -0.33 -0.28 0.00 -1.18 0.00 0.00 61.69 59.91 3k9m s THR 139 Cb 0.00 -3.82 -0.11 0.00 1.34 0.00 0.00 72.50 69.91 3k9m s THR 139 CO 0.00 -0.47 1.45 0.22 -0.54 0.00 0.00 174.62 175.27 3k9m h TYR 140 N 1.08 -1.29 0.00 3.99 3.20 -1.93 -1.01 116.97 121.00 3k9m h TYR 140 Ca -0.49 0.04 0.00 0.00 3.14 0.00 0.00 58.73 61.42 3k9m h TYR 140 Cb 1.21 0.57 0.00 0.00 1.54 0.00 0.00 36.73 40.05 3k9m h TYR 140 CO 0.53 -0.46 0.00 1.17 -1.64 0.00 0.00 178.16 177.76 3k9m n LYS 141 N -4.89 0.57 -0.00 1.82 3.00 -1.26 -0.95 118.16 116.45 3k9m n LYS 141 Ca -0.06 0.00 0.02 0.00 -0.00 0.00 0.00 58.31 58.28 3k9m n LYS 141 Cb 0.32 -1.07 -0.03 0.00 0.00 0.00 0.00 35.03 34.24 3k9m n LYS 141 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.40 178.34 3k9m n GLN 142 N -0.57 1.26 0.00 1.64 7.27 -0.50 -4.39 117.38 122.10 3k9m n GLN 142 Ca 0.02 -0.03 0.14 0.00 0.07 0.00 0.00 57.00 57.19 3k9m n GLN 142 Cb 0.01 -1.03 0.52 0.00 2.41 0.00 0.00 30.24 32.15 3k9m n GLN 142 CO 0.00 0.00 0.00 -3.47 0.07 0.00 0.00 177.06 173.66 3k9m n ASP 143 N -1.55 0.35 -4.68 1.69 4.64 -0.12 -4.91 116.55 111.98 3k9m n ASP 143 Ca -0.00 -0.20 -0.49 0.00 -1.38 0.00 0.00 54.79 52.72 3k9m n ASP 143 Cb 0.11 -0.11 -0.05 0.00 -1.04 0.00 0.00 41.12 40.03 3k9m n ASP 143 CO 0.00 0.00 0.00 1.17 -0.82 0.00 0.00 177.20 177.55 3k9m n LYS 144 N -1.24 2.00 -3.94 -0.67 3.00 -1.10 -4.52 118.16 111.69 3k9m n LYS 144 Ca 0.10 0.73 -0.35 0.00 -0.00 0.00 0.00 58.31 58.79 3k9m n LYS 144 Cb 0.31 -2.52 -0.13 0.00 0.00 0.00 0.00 35.03 32.69 3k9m n LYS 144 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.40 176.39 3k9m s HIS 145 N 2.87 3.03 0.34 5.64 3.76 -0.00 -4.91 115.29 126.02 3k9m s HIS 145 Ca 0.89 -0.59 0.07 0.00 -0.15 0.00 0.00 55.06 55.28 3k9m s HIS 145 Cb -0.75 -2.13 -0.01 0.00 1.11 0.00 0.00 32.58 30.80 3k9m s HIS 145 CO 0.49 -0.36 0.43 0.71 -0.85 0.00 0.00 174.74 175.15 3k9m s TYR 146 N 1.31 3.02 0.12 1.40 1.51 -1.26 -2.45 117.35 121.01 3k9m s TYR 146 Ca 0.04 -0.26 0.06 0.00 -1.01 0.00 0.00 57.07 55.90 3k9m s TYR 146 Cb -0.15 -1.97 -0.04 0.00 -0.11 0.00 0.00 41.96 39.69 3k9m s TYR 146 CO 0.01 0.01 0.01 0.20 -1.11 0.00 0.00 175.55 174.67 3k9m s GLY 147 N -4.14 1.84 -0.12 0.71 0.00 -1.01 -0.46 107.32 104.15 3k9m s GLY 147 Ca 0.45 -1.20 -0.05 0.00 0.00 0.00 0.00 44.72 43.91 3k9m s GLY 147 CO 0.30 -1.20 -0.04 -1.82 0.00 0.00 0.00 173.10 170.34 3k9m h TYR 148 N 3.11 0.00 -4.21 1.90 -0.00 0.77 -3.40 116.97 115.14 3k9m h TYR 148 Ca -0.48 0.00 -0.34 0.00 -0.00 0.00 0.00 58.73 57.92 3k9m h TYR 148 Cb 1.18 0.00 -0.14 0.00 -0.00 0.00 0.00 36.73 37.77 3k9m h TYR 148 CO 0.61 0.07 -0.59 0.54 -0.00 0.00 0.00 178.16 178.78 3k9m s ASN 149 N -5.68 0.94 -0.00 -2.11 4.22 -1.23 -5.00 114.94 106.09 3k9m s ASN 149 Ca -0.07 -1.47 -0.11 0.00 -2.14 0.00 0.00 52.86 49.07 3k9m s ASN 149 Cb 0.01 0.34 0.01 0.00 1.28 0.00 0.00 41.25 42.89 3k9m s ASN 149 CO 0.12 -0.84 0.23 -0.94 -2.04 0.00 0.00 177.10 173.63 3k9m s SER 150 N -3.28 -0.08 0.10 3.54 1.04 -1.26 -2.24 113.70 111.53 3k9m s SER 150 Ca 0.38 -0.07 -0.25 0.00 0.48 0.00 0.00 55.95 56.48 3k9m s SER 150 Cb 0.06 0.26 0.08 0.00 0.10 0.00 0.00 66.02 66.52 3k9m s SER 150 CO 0.15 -0.42 0.74 -0.72 0.98 0.00 0.00 173.24 173.97 3k9m s TYR 151 N -1.43 -0.42 0.39 5.02 -0.85 -0.65 -4.96 117.35 114.44 3k9m s TYR 151 Ca -0.14 0.22 -0.13 0.00 -0.52 0.00 0.00 57.07 56.51 3k9m s TYR 151 Cb -0.06 0.56 -0.07 0.00 0.38 0.00 0.00 41.96 42.77 3k9m s TYR 151 CO 0.03 -0.76 0.79 0.45 -1.52 0.00 0.00 175.55 174.54 3k9m s SER 152 N -2.67 6.62 0.39 -0.18 0.15 -1.26 -1.94 113.70 114.82 3k9m s SER 152 Ca 0.04 1.24 0.03 0.00 0.70 0.00 0.00 55.95 57.96 3k9m s SER 152 Cb -0.01 -2.36 -0.01 0.00 -1.71 0.00 0.00 66.02 61.93 3k9m s SER 152 CO -0.09 -0.36 0.57 -0.69 1.20 0.00 0.00 173.24 173.87 3k9m s VAL 153 N -2.28 4.02 0.31 4.45 1.01 0.13 -4.91 120.40 123.13 3k9m s VAL 153 Ca 0.53 -0.75 -0.11 0.00 0.00 0.00 0.00 61.98 61.65 3k9m s VAL 153 Cb -0.10 -3.44 -0.07 0.00 0.00 0.00 0.00 36.38 32.76 3k9m s VAL 153 CO 0.26 -0.24 0.66 -0.44 0.00 0.00 0.00 175.10 175.35 3k9m s SER 154 N -4.20 6.63 -1.13 3.32 0.01 -1.26 -4.62 113.70 112.46 3k9m s SER 154 Ca 0.47 1.07 -0.23 0.00 1.31 0.00 0.00 55.95 58.56 3k9m s SER 154 Cb -0.10 -2.29 -0.10 0.00 0.21 0.00 0.00 66.02 63.74 3k9m s SER 154 CO 0.34 -0.20 1.97 0.21 0.41 0.00 0.00 173.24 175.97 3k9m s ASN 155 N -2.60 4.83 -0.23 2.44 3.84 -1.26 -4.67 114.94 117.30 3k9m s ASN 155 Ca 0.50 -1.42 -0.22 0.00 0.21 0.00 0.00 52.86 51.94 3k9m s ASN 155 Cb -0.11 -2.59 0.06 0.00 -0.55 0.00 0.00 41.25 38.07 3k9m s ASN 155 CO 0.23 -3.26 0.62 -0.55 -2.79 0.00 0.00 177.10 171.35 3k9m s SER 156 N 7.03 -0.64 0.10 -4.21 0.15 -1.26 -5.05 113.70 109.82 3k9m s SER 156 Ca 0.71 1.23 -0.16 0.00 0.70 0.00 0.00 55.95 58.44 3k9m s SER 156 Cb -0.02 1.25 -0.06 0.00 -1.71 0.00 0.00 66.02 65.48 3k9m s SER 156 CO 0.12 -0.22 1.49 -0.08 1.20 0.00 0.00 173.24 175.75 3k9m h GLU 157 N 5.11 0.65 -0.16 5.44 4.81 -1.91 -3.17 114.58 125.35 3k9m h GLU 157 Ca -0.28 -0.26 -0.06 0.00 -0.13 0.00 0.00 59.36 58.62 3k9m h GLU 157 Cb 1.17 -0.03 -0.00 0.00 0.63 0.00 0.00 28.75 30.51 3k9m h GLU 157 CO 0.12 0.84 -0.15 1.57 -0.73 0.00 0.00 179.01 180.66 3k9m h LYS 158 N 0.42 0.39 -0.81 1.92 2.10 -1.97 -2.04 116.57 116.58 3k9m h LYS 158 Ca 0.08 -0.20 0.12 0.00 -2.00 0.00 0.00 60.65 58.65 3k9m h LYS 158 Cb 0.62 0.01 -0.08 0.00 -0.90 0.00 0.00 32.23 31.87 3k9m h LYS 158 CO 0.04 0.75 0.42 -0.44 -2.00 0.00 0.00 179.45 178.22 3k9m h ASP 159 N 0.03 0.54 -0.13 7.07 5.19 -1.90 0.55 116.42 127.77 3k9m h ASP 159 Ca 0.03 0.08 -0.01 0.00 -0.62 0.00 0.00 57.03 56.51 3k9m h ASP 159 Cb 0.68 -0.02 -0.01 0.00 0.18 0.00 0.00 39.33 40.16 3k9m h ASP 159 CO 0.04 0.27 0.06 0.40 -3.12 0.00 0.00 179.24 176.89 3k9m h ILE 160 N 0.65 1.13 -0.88 0.35 2.04 -1.50 1.15 117.51 120.46 3k9m h ILE 160 Ca 0.42 -0.37 0.03 0.00 1.00 0.00 0.00 64.86 65.94 3k9m h ILE 160 Cb 0.52 1.13 -0.05 0.00 -0.74 0.00 0.00 36.82 37.68 3k9m h ILE 160 CO -0.32 0.12 0.57 0.24 0.00 0.00 0.00 178.15 178.76 3k9m h MET 161 N 0.08 1.09 -0.17 2.37 2.86 -0.57 -0.60 114.93 119.99 3k9m h MET 161 Ca 0.05 -0.07 -0.12 0.00 -2.06 0.00 0.00 59.70 57.50 3k9m h MET 161 Cb 0.13 -0.25 -0.01 0.00 0.06 0.00 0.00 31.60 31.53 3k9m h MET 161 CO -0.01 0.72 -0.41 0.00 1.06 0.00 0.00 176.91 178.27 3k9m h ALA 162 N 1.35 0.98 -0.47 6.32 0.00 0.88 -1.04 119.26 127.30 3k9m h ALA 162 Ca 0.34 -0.43 -0.11 0.00 0.00 0.00 0.00 54.91 54.71 3k9m h ALA 162 Cb -0.03 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 3k9m h ALA 162 CO -0.11 0.62 -0.14 1.49 0.00 0.00 0.00 179.25 181.11 3k9m h GLU 163 N 0.32 0.88 -0.05 0.00 4.57 0.17 -2.76 114.58 117.72 3k9m h GLU 163 Ca 0.03 -0.32 -0.03 0.00 -1.18 0.00 0.00 59.36 57.85 3k9m h GLU 163 Cb 0.87 -0.06 0.00 0.00 -0.16 0.00 0.00 28.75 29.40 3k9m h GLU 163 CO 0.07 0.97 -0.09 0.82 -1.18 0.00 0.00 179.01 179.59 3k9m h ILE 164 N 0.78 1.42 -0.51 2.32 2.04 -0.72 -2.30 117.51 120.55 3k9m h ILE 164 Ca 0.12 -1.41 -0.10 0.00 1.00 0.00 0.00 64.86 64.47 3k9m h ILE 164 Cb 0.67 2.24 -0.02 0.00 -0.74 0.00 0.00 36.82 38.97 3k9m h ILE 164 CO 0.05 0.38 -0.08 0.22 0.00 0.00 0.00 178.15 178.72 3k9m h TYR 165 N -0.36 1.01 0.00 1.37 3.20 -1.30 0.29 116.97 121.18 3k9m h TYR 165 Ca 0.00 -0.19 -0.17 0.00 3.14 0.00 0.00 58.73 61.51 3k9m h TYR 165 Cb 0.67 -0.26 -0.03 0.00 1.54 0.00 0.00 36.73 38.66 3k9m h TYR 165 CO 0.12 0.95 -0.86 0.87 -1.64 0.00 0.00 178.16 177.60 3k9m h LYS 166 N 0.83 0.00 0.00 1.82 1.79 -1.56 -3.41 116.57 116.03 3k9m h LYS 166 Ca 0.14 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.61 3k9m h LYS 166 Cb 0.61 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.26 3k9m h LYS 166 CO 0.04 0.77 0.00 0.09 -1.08 0.00 0.00 179.45 179.27 3k9m n ASN 167 N -3.28 0.01 0.00 0.86 5.03 -0.87 -5.09 115.26 111.93 3k9m n ASN 167 Ca -0.00 -0.16 0.00 0.00 0.87 0.00 0.00 54.58 55.29 3k9m n ASN 167 Cb 0.87 0.16 0.00 0.00 -1.02 0.00 0.00 39.78 39.78 3k9m n ASN 167 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 3k9m n GLY 168 N 0.16 1.78 3.09 7.41 0.00 0.10 -4.79 105.19 112.93 3k9m n GLY 168 Ca 0.00 -2.07 -0.37 0.00 0.00 0.00 0.00 46.02 43.58 3k9m n GLY 168 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3k9m n PRO 169 N 0.66 -0.00 -4.38 1.61 -0.02 -1.26 -4.26 135.00 127.35 3k9m n PRO 169 Ca 0.00 0.00 -0.22 0.00 -2.02 0.00 0.00 63.50 61.26 3k9m n PRO 169 Cb 0.00 -1.04 -0.08 0.00 -0.02 0.00 0.00 33.50 32.36 3k9m n PRO 169 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 3k9m s VAL 170 N -2.01 0.25 -0.00 -1.45 -7.23 -0.35 -4.86 120.40 104.75 3k9m s VAL 170 Ca 0.45 -2.00 0.01 0.00 -1.81 0.00 0.00 61.98 58.63 3k9m s VAL 170 Cb -0.27 -2.43 -0.04 0.00 0.56 0.00 0.00 36.38 34.21 3k9m s VAL 170 CO 0.78 0.00 0.03 -0.70 -0.31 0.00 0.00 175.10 174.89 3k9m s GLU 171 N -3.59 2.87 0.30 4.82 2.12 -0.39 -2.26 118.70 122.57 3k9m s GLU 171 Ca 0.33 -0.57 -0.04 0.00 0.36 0.00 0.00 54.97 55.05 3k9m s GLU 171 Cb 0.03 -2.73 -0.01 0.00 0.26 0.00 0.00 34.13 31.68 3k9m s GLU 171 CO 0.21 0.63 0.41 0.20 -0.54 0.00 0.00 175.26 176.17 3k9m s GLY 172 N -1.61 1.33 0.01 -1.50 0.00 -1.09 -0.34 107.32 104.13 3k9m s GLY 172 Ca 0.20 -1.44 -0.05 0.00 0.00 0.00 0.00 44.72 43.43 3k9m s GLY 172 CO 0.11 -1.01 0.08 0.00 0.00 0.00 0.00 173.10 172.28 3k9m s ALA 173 N -3.48 -0.17 0.30 3.20 0.00 -1.26 -1.29 121.76 119.06 3k9m s ALA 173 Ca 0.31 -0.30 -0.02 0.00 0.00 0.00 0.00 51.96 51.95 3k9m s ALA 173 Cb 0.01 0.13 -0.01 0.00 0.00 0.00 0.00 23.12 23.25 3k9m s ALA 173 CO 0.17 -0.20 0.37 -0.59 0.00 0.00 0.00 175.76 175.51 3k9m s PHE 174 N -1.47 1.12 -0.32 0.00 -0.71 -0.70 -3.83 117.98 112.07 3k9m s PHE 174 Ca -0.15 -1.30 -0.14 0.00 -1.04 0.00 0.00 56.93 54.30 3k9m s PHE 174 Cb -0.08 -0.26 -0.02 0.00 -1.21 0.00 0.00 43.02 41.45 3k9m s PHE 174 CO 0.01 -0.97 0.33 -1.12 -1.34 0.00 0.00 175.22 172.12 3k9m s SER 175 N -3.22 6.16 0.16 1.98 0.01 -0.26 -1.72 113.70 116.81 3k9m s SER 175 Ca 0.33 -0.13 -0.14 0.00 1.31 0.00 0.00 55.95 57.32 3k9m s SER 175 Cb 0.02 -2.18 -0.07 0.00 0.21 0.00 0.00 66.02 63.99 3k9m s SER 175 CO 0.18 -0.26 0.55 0.68 0.41 0.00 0.00 173.24 174.81 3k9m s VAL 176 N 1.96 4.86 -0.03 3.43 -7.23 -0.39 -4.93 120.40 118.08 3k9m s VAL 176 Ca 0.11 0.79 0.01 0.00 -1.81 0.00 0.00 61.98 61.09 3k9m s VAL 176 Cb -0.16 -3.72 0.01 0.00 0.56 0.00 0.00 36.38 33.07 3k9m s VAL 176 CO 0.11 0.21 -0.05 -0.31 -0.31 0.00 0.00 175.10 174.75 3k9m s TYR 177 N -1.51 0.66 0.35 2.82 1.51 -1.26 -0.90 117.35 119.02 3k9m s TYR 177 Ca 0.39 -0.15 0.26 0.00 -1.01 0.00 0.00 57.07 56.56 3k9m s TYR 177 Cb -0.15 -0.53 1.18 0.00 -0.11 0.00 0.00 41.96 42.36 3k9m s TYR 177 CO 0.19 -0.11 1.23 -1.13 -1.11 0.00 0.00 175.55 174.62 3k9m n SER 178 N 3.56 0.16 0.07 2.29 3.41 -0.71 0.86 113.62 123.26 3k9m n SER 178 Ca -0.20 1.08 0.06 0.00 -0.26 0.00 0.00 58.87 59.55 3k9m n SER 178 Cb 0.54 -0.53 0.31 0.00 -0.26 0.00 0.00 64.21 64.26 3k9m n SER 178 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 3k9m n ASP 179 N -4.25 0.27 0.09 4.04 5.68 -1.26 -2.52 116.55 118.60 3k9m n ASP 179 Ca 0.32 0.61 0.00 0.00 -0.50 0.00 0.00 54.79 55.22 3k9m n ASP 179 Cb 1.24 -0.65 -0.04 0.00 -1.14 0.00 0.00 41.12 40.54 3k9m n ASP 179 CO 0.00 0.00 0.00 0.15 -1.33 0.00 0.00 177.20 176.02 3k9m h PHE 180 N 0.00 0.00 0.00 2.11 3.57 0.05 -3.24 116.94 119.42 3k9m h PHE 180 Ca 0.00 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.50 3k9m h PHE 180 Cb 0.10 0.00 0.00 0.00 2.79 0.00 0.00 35.95 38.84 3k9m h PHE 180 CO 0.00 0.60 0.00 1.28 -2.23 0.00 0.00 178.31 177.96 3k9m n LEU 181 N -3.11 0.54 0.03 0.59 4.77 -1.05 -2.01 117.00 116.76 3k9m n LEU 181 Ca -0.03 0.59 0.13 0.00 -0.03 0.00 0.00 56.01 56.67 3k9m n LEU 181 Cb 0.80 -0.46 0.48 0.00 -2.33 0.00 0.00 43.42 41.91 3k9m n LEU 181 CO 0.42 -0.30 0.81 0.18 -1.33 0.00 0.00 177.39 177.17 3k9m n LEU 182 N -2.05 0.30 -4.66 2.23 7.99 -1.22 -4.95 117.00 114.64 3k9m n LEU 182 Ca 0.04 0.40 -0.44 0.00 -0.01 0.00 0.00 56.01 56.01 3k9m n LEU 182 Cb 0.31 -0.39 -0.02 0.00 -0.11 0.00 0.00 43.42 43.21 3k9m n LEU 182 CO 0.24 -0.02 0.86 0.00 -1.51 0.00 0.00 177.39 176.97 3k9m n TYR 183 N -1.70 1.98 0.09 -1.77 9.36 -0.85 -4.93 117.16 119.35 3k9m n TYR 183 Ca 0.06 0.55 0.00 0.00 3.32 0.00 0.00 57.90 61.83 3k9m n TYR 183 Cb 0.36 -2.39 0.00 0.00 -0.63 0.00 0.00 39.34 36.68 3k9m n TYR 183 CO 0.00 0.00 0.00 1.63 0.22 0.00 0.00 176.86 178.71 3k9m n LYS 184 N 1.17 0.00 -4.44 2.98 4.76 -1.26 -3.59 118.16 117.77 3k9m n LYS 184 Ca 0.09 0.00 -0.24 0.00 -2.87 0.00 0.00 58.31 55.29 3k9m n LYS 184 Cb 0.33 -0.16 -0.08 0.00 -1.84 0.00 0.00 35.03 33.27 3k9m n LYS 184 CO 0.00 0.00 0.00 -1.54 -1.37 0.00 0.00 177.40 174.49 3k9m s SER 185 N -5.25 2.45 0.60 4.39 1.04 -1.26 -3.50 113.70 112.16 3k9m s SER 185 Ca 0.00 -1.71 0.00 0.00 0.48 0.00 0.00 55.95 54.72 3k9m s SER 185 Cb 0.00 0.55 0.00 0.00 0.10 0.00 0.00 66.02 66.67 3k9m s SER 185 CO 0.00 -0.99 0.00 0.61 0.98 0.00 0.00 173.24 173.84 3k9m n GLY 186 N -0.83 -0.38 3.54 7.32 0.00 -1.26 -4.64 105.19 108.94 3k9m n GLY 186 Ca -0.02 -1.06 -0.40 0.00 0.00 0.00 0.00 46.02 44.54 3k9m n GLY 186 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3k9m s VAL 187 N 0.00 5.29 0.59 1.61 1.01 -1.26 -4.15 120.40 123.48 3k9m s VAL 187 Ca 0.00 -0.16 -0.20 0.00 0.00 0.00 0.00 61.98 61.62 3k9m s VAL 187 Cb 0.00 -3.69 -0.03 0.00 0.00 0.00 0.00 36.38 32.65 3k9m s VAL 187 CO 0.00 0.02 1.30 -0.47 0.00 0.00 0.00 175.10 175.96 3k9m s TYR 188 N 1.73 2.25 -0.25 5.22 5.04 0.15 -4.80 117.35 126.68 3k9m s TYR 188 Ca 0.06 1.44 -0.09 0.00 -2.44 0.00 0.00 57.07 56.04 3k9m s TYR 188 Cb -0.17 -3.70 0.11 0.00 0.35 0.00 0.00 41.96 38.55 3k9m s TYR 188 CO 0.11 -2.75 0.55 -1.14 -1.34 0.00 0.00 175.55 170.98 3k9m s GLN 189 N -3.13 0.48 0.09 4.97 0.74 -1.26 -1.58 119.66 119.97 3k9m s GLN 189 Ca 0.76 1.24 -0.31 0.00 0.05 0.00 0.00 55.36 57.10 3k9m s GLN 189 Cb -0.37 0.56 -0.07 0.00 1.10 0.00 0.00 33.01 34.23 3k9m s GLN 189 CO 0.42 -0.21 1.40 -1.58 -0.55 0.00 0.00 175.29 174.77 3k9m s HIS 190 N 2.61 3.14 0.00 1.67 5.65 -1.26 -4.92 115.29 122.18 3k9m s HIS 190 Ca -0.05 0.90 0.00 0.00 0.25 0.00 0.00 55.06 56.16 3k9m s HIS 190 Cb -0.11 -3.69 0.00 0.00 -1.18 0.00 0.00 32.58 27.60 3k9m s HIS 190 CO -0.16 -2.45 0.00 0.28 -0.65 0.00 0.00 174.74 171.75 3k9m n VAL 191 N 4.11 0.00 0.00 0.89 0.31 -1.26 -5.12 118.33 117.26 3k9m n VAL 191 Ca 0.12 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.45 3k9m n VAL 191 Cb 0.42 -0.63 0.00 0.00 -0.91 0.00 0.00 33.84 32.73 3k9m n VAL 191 CO 0.00 0.00 0.00 0.35 -1.32 0.00 0.00 176.83 175.86 3k9m n THR 192 N -2.07 0.00 -1.43 2.52 -2.24 -1.26 -5.17 114.28 104.63 3k9m n THR 192 Ca 0.00 0.00 0.02 0.00 -2.27 0.00 0.00 64.05 61.80 3k9m n THR 192 Cb 0.42 0.00 -0.01 0.00 -2.10 0.00 0.00 70.33 68.64 3k9m n THR 192 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3k9m n GLY 193 N 0.00 -3.89 3.77 3.38 0.00 -1.26 -4.86 105.19 102.33 3k9m n GLY 193 Ca 0.00 -0.92 -0.39 0.00 0.00 0.00 0.00 46.02 44.72 3k9m n GLY 193 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3k9m s GLU 194 N -5.16 4.20 -0.51 1.61 2.12 -1.26 -4.72 118.70 114.98 3k9m s GLU 194 Ca 0.00 1.90 -0.28 0.00 0.36 0.00 0.00 54.97 56.95 3k9m s GLU 194 Cb 0.00 -2.82 -0.01 0.00 0.26 0.00 0.00 34.13 31.56 3k9m s GLU 194 CO 0.00 -0.22 1.68 1.41 -0.54 0.00 0.00 175.26 177.59 3k9m s MET 195 N -2.08 3.08 -0.04 4.30 -2.45 -1.26 -1.74 119.30 119.10 3k9m s MET 195 Ca 0.54 0.80 -0.26 0.00 -1.25 0.00 0.00 55.69 55.51 3k9m s MET 195 Cb -0.32 -4.23 -0.21 0.00 1.25 0.00 0.00 34.83 31.31 3k9m s MET 195 CO 0.41 -2.19 1.15 0.52 1.05 0.00 0.00 175.02 175.97 3k9m h MET 196 N 12.94 -0.03 0.00 4.11 0.00 -1.37 -3.49 114.93 127.10 3k9m h MET 196 Ca -0.28 0.00 0.00 0.00 0.00 0.00 0.00 59.70 59.42 3k9m h MET 196 Cb 1.14 0.01 0.00 0.00 0.00 0.00 0.00 31.60 32.74 3k9m h MET 196 CO 1.15 0.54 0.00 0.41 0.00 0.00 0.00 176.91 179.00 3k9m n GLY 197 N 0.47 -1.70 3.64 8.32 0.00 -1.19 -5.05 105.19 109.69 3k9m n GLY 197 Ca -0.09 -1.14 -0.40 0.00 0.00 0.00 0.00 46.02 44.40 3k9m n GLY 197 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3k9m s GLY 198 N 0.00 1.95 0.23 -0.02 0.00 -1.26 -1.26 107.32 106.96 3k9m s GLY 198 Ca 0.00 -0.44 0.09 0.00 0.00 0.00 0.00 44.72 44.37 3k9m s GLY 198 CO 0.00 1.24 -0.02 -1.58 0.00 0.00 0.00 173.10 172.73 3k9m s HIS 199 N 2.05 2.71 -0.00 1.90 5.04 -0.70 -4.98 115.29 121.31 3k9m s HIS 199 Ca 0.24 -0.21 0.05 0.00 -1.54 0.00 0.00 55.06 53.61 3k9m s HIS 199 Cb -0.16 -1.25 -0.01 0.00 0.04 0.00 0.00 32.58 31.20 3k9m s HIS 199 CO 0.09 0.58 -0.16 0.00 -2.34 0.00 0.00 174.74 172.91 3k9m s ALA 200 N -2.08 1.35 0.24 1.58 0.00 -1.26 -1.72 121.76 119.86 3k9m s ALA 200 Ca 0.29 -0.74 0.01 0.00 0.00 0.00 0.00 51.96 51.52 3k9m s ALA 200 Cb -0.07 -0.32 -0.00 0.00 0.00 0.00 0.00 23.12 22.72 3k9m s ALA 200 CO 0.19 0.32 0.29 0.44 0.00 0.00 0.00 175.76 177.00 3k9m n ILE 201 N 2.53 0.00 -4.06 0.00 -6.64 -0.41 -4.54 119.36 106.25 3k9m n ILE 201 Ca -0.15 -1.33 -0.32 0.00 -1.77 0.00 0.00 62.75 59.18 3k9m n ILE 201 Cb 0.54 0.77 -0.16 0.00 -1.44 0.00 0.00 39.64 39.36 3k9m n ILE 201 CO 0.00 0.00 0.00 -0.60 -1.77 0.00 0.00 176.55 174.18 3k9m s ARG 202 N -2.64 2.39 -0.12 6.28 3.52 -1.07 -2.66 118.95 124.66 3k9m s ARG 202 Ca 0.22 -1.00 -0.17 0.00 -0.13 0.00 0.00 55.73 54.65 3k9m s ARG 202 Cb -0.00 -2.61 -0.04 0.00 -1.56 0.00 0.00 34.95 30.73 3k9m s ARG 202 CO 0.16 -0.40 0.42 0.42 -0.81 0.00 0.00 175.30 175.08 3k9m s ILE 203 N 1.27 5.20 -0.09 4.11 1.01 -0.96 -0.82 121.20 130.92 3k9m s ILE 203 Ca -0.02 0.83 0.25 0.00 0.00 0.00 0.00 60.65 61.71 3k9m s ILE 203 Cb -0.16 -3.76 0.46 0.00 0.01 0.00 0.00 42.46 39.01 3k9m s ILE 203 CO -0.09 0.37 1.15 0.00 0.00 0.00 0.00 174.94 176.37 3k9m n LEU 204 N 3.46 1.25 0.00 2.97 -0.00 -0.19 -1.21 117.00 123.27 3k9m n LEU 204 Ca -0.09 -2.40 0.00 0.00 -0.00 0.00 0.00 56.01 53.52 3k9m n LEU 204 Cb 0.52 0.16 0.00 0.00 -0.00 0.00 0.00 43.42 44.09 3k9m n LEU 204 CO 0.42 0.71 0.00 0.61 -0.00 0.00 0.00 177.39 179.12 3k9m n GLY 205 N 0.09 0.63 3.82 1.47 0.00 -1.25 -2.70 105.19 107.24 3k9m n GLY 205 Ca 0.07 -1.70 -0.05 0.00 0.00 0.00 0.00 46.02 44.34 3k9m n GLY 205 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 3k9m s TRP 206 N -2.98 -0.05 -4.88 1.61 -2.14 0.73 -1.50 118.94 109.73 3k9m s TRP 206 Ca 0.00 -0.39 0.00 0.00 2.66 0.00 0.00 56.10 58.37 3k9m s TRP 206 Cb 0.00 0.71 0.00 0.00 -3.10 0.00 0.00 33.47 31.08 3k9m s TRP 206 CO 0.00 -1.09 0.00 0.41 -2.66 0.00 0.00 176.95 173.61 3k9m n GLY 207 N -0.53 -0.49 2.85 3.67 0.00 -1.21 -0.93 105.19 108.54 3k9m n GLY 207 Ca -0.05 -1.06 -0.14 0.00 0.00 0.00 0.00 46.02 44.77 3k9m n GLY 207 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3k9m s VAL 208 N -3.14 0.06 -0.10 1.61 1.01 -1.26 -0.71 120.40 117.86 3k9m s VAL 208 Ca 0.00 0.03 0.03 0.00 0.00 0.00 0.00 61.98 62.04 3k9m s VAL 208 Cb 0.00 -0.10 0.01 0.00 0.00 0.00 0.00 36.38 36.29 3k9m s VAL 208 CO 0.00 0.05 -0.18 -1.61 0.00 0.00 0.00 175.10 173.36 3k9m s GLU 209 N 0.36 2.43 0.96 2.72 2.02 -0.89 -4.93 118.70 121.37 3k9m s GLU 209 Ca -0.03 -0.65 0.00 0.00 0.02 0.00 0.00 54.97 54.31 3k9m s GLU 209 Cb -0.05 -1.97 0.00 0.00 0.10 0.00 0.00 34.13 32.21 3k9m s GLU 209 CO -0.01 0.03 0.00 -1.71 0.02 0.00 0.00 175.26 173.59 3k9m n ASN 210 N 3.93 0.00 -0.04 -0.19 4.05 -1.26 -1.88 115.26 119.87 3k9m n ASN 210 Ca -0.20 0.00 0.03 0.00 0.45 0.00 0.00 54.58 54.86 3k9m n ASN 210 Cb 0.52 0.00 -0.02 0.00 1.23 0.00 0.00 39.78 41.50 3k9m n ASN 210 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 3k9m n GLY 211 N 0.00 0.26 3.70 8.20 0.00 -1.26 -5.02 105.19 111.07 3k9m n GLY 211 Ca 0.00 -0.17 -0.40 0.00 0.00 0.00 0.00 46.02 45.45 3k9m n GLY 211 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3k9m s THR 212 N -1.40 4.97 -0.08 2.61 2.01 -0.79 -5.03 115.64 117.94 3k9m s THR 212 Ca 0.03 1.54 -0.22 0.00 0.31 0.00 0.00 61.69 63.35 3k9m s THR 212 Cb 0.05 -4.09 -0.04 0.00 0.01 0.00 0.00 72.50 68.43 3k9m s THR 212 CO 0.21 0.16 0.65 -2.16 -0.69 0.00 0.00 174.62 172.79 3k9m s PRO 213 N 1.35 4.41 0.33 4.92 0.04 -1.26 -2.10 135.00 142.70 3k9m s PRO 213 Ca 0.38 0.77 0.05 0.00 0.04 0.00 0.00 61.00 62.24 3k9m s PRO 213 Cb -0.17 -3.44 -0.07 0.00 0.04 0.00 0.00 34.50 30.86 3k9m s PRO 213 CO 0.17 0.09 0.03 1.52 0.04 0.00 0.00 177.00 178.85 3k9m s TYR 214 N 0.75 2.07 -0.15 0.56 -0.85 0.11 -0.47 117.35 119.37 3k9m s TYR 214 Ca 0.35 -0.87 -0.04 0.00 -0.52 0.00 0.00 57.07 55.99 3k9m s TYR 214 Cb -0.17 -1.35 -0.03 0.00 0.38 0.00 0.00 41.96 40.79 3k9m s TYR 214 CO 0.16 0.12 -0.03 -1.58 -1.52 0.00 0.00 175.55 172.71 3k9m s TRP 215 N -3.15 3.05 -0.15 -3.49 0.52 -0.93 -3.32 118.94 111.46 3k9m s TRP 215 Ca 0.35 -0.22 -0.29 0.00 0.02 0.00 0.00 56.10 55.96 3k9m s TRP 215 Cb 0.08 -1.94 -0.03 0.00 -1.15 0.00 0.00 33.47 30.44 3k9m s TRP 215 CO 0.16 0.03 1.42 -1.17 0.02 0.00 0.00 176.95 177.41 3k9m s LEU 216 N 0.21 4.16 -0.02 2.99 2.96 -0.56 -3.02 118.68 125.40 3k9m s LEU 216 Ca -0.02 1.79 0.04 0.00 -0.22 0.00 0.00 54.13 55.72 3k9m s LEU 216 Cb -0.14 -3.54 -0.01 0.00 0.50 0.00 0.00 46.19 43.01 3k9m s LEU 216 CO 0.03 -0.90 -0.12 -0.69 -1.32 0.00 0.00 176.35 173.34 3k9m s VAL 217 N 3.96 0.96 -0.32 1.68 1.01 -0.20 -1.03 120.40 126.46 3k9m s VAL 217 Ca 0.62 -0.50 -0.15 0.00 0.00 0.00 0.00 61.98 61.95 3k9m s VAL 217 Cb -0.25 -0.82 -0.02 0.00 0.00 0.00 0.00 36.38 35.29 3k9m s VAL 217 CO 0.21 0.28 0.37 0.00 0.00 0.00 0.00 175.10 175.96 3k9m s ALA 218 N -0.15 3.51 0.59 5.51 0.00 -0.00 -0.97 121.76 130.26 3k9m s ALA 218 Ca 0.02 -1.09 -0.08 0.00 0.00 0.00 0.00 51.96 50.82 3k9m s ALA 218 Cb -0.06 -2.79 -0.01 0.00 0.00 0.00 0.00 23.12 20.26 3k9m s ALA 218 CO -0.00 -0.94 0.94 1.21 0.00 0.00 0.00 175.76 176.96 3k9m s ASN 219 N 1.71 5.90 -0.28 0.00 3.84 -1.14 -2.59 114.94 122.40 3k9m s ASN 219 Ca 0.13 1.02 0.12 0.00 0.21 0.00 0.00 52.86 54.33 3k9m s ASN 219 Cb -0.16 -2.08 0.66 0.00 -0.55 0.00 0.00 41.25 39.12 3k9m s ASN 219 CO 0.11 -0.93 1.65 -1.54 -2.79 0.00 0.00 177.10 173.60 3k9m n SER 220 N -2.61 4.25 -1.31 -4.21 3.41 -1.26 -4.66 113.62 107.23 3k9m n SER 220 Ca 0.04 -3.25 -0.02 0.00 -0.26 0.00 0.00 58.87 55.38 3k9m n SER 220 Cb 0.56 -0.67 0.23 0.00 -0.26 0.00 0.00 64.21 64.07 3k9m n SER 220 CO 0.00 0.00 0.00 0.79 -0.16 0.00 0.00 175.04 175.67 3k9m n TRP 221 N -0.38 1.45 0.00 7.33 8.01 -1.20 -1.20 117.44 131.45 3k9m n TRP 221 Ca 0.34 -1.32 0.00 0.00 -1.31 0.00 0.00 57.50 55.21 3k9m n TRP 221 Cb 1.20 -0.51 0.00 0.00 -2.01 0.00 0.00 31.31 29.99 3k9m n TRP 221 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 177.69 174.97 3k9m n ASN 222 N -0.77 0.00 -0.52 -0.99 2.85 -1.02 -4.73 115.26 110.08 3k9m n ASN 222 Ca 0.33 0.00 0.13 0.00 -0.11 0.00 0.00 54.58 54.93 3k9m n ASN 222 Cb 1.11 0.00 0.31 0.00 1.24 0.00 0.00 39.78 42.44 3k9m n ASN 222 CO 0.00 0.00 0.00 0.35 -2.11 0.00 0.00 177.26 175.50 3k9m n THR 223 N -1.06 0.00 -0.04 -0.44 -2.24 -1.26 -3.83 114.28 105.41 3k9m n THR 223 Ca 0.00 -0.27 -0.17 0.00 -2.27 0.00 0.00 64.05 61.34 3k9m n THR 223 Cb 0.00 0.81 -0.13 0.00 -2.10 0.00 0.00 70.33 68.90 3k9m n THR 223 CO 0.00 0.00 0.00 -0.78 -0.57 0.00 0.00 175.07 173.72 3k9m h ASP 224 N 2.53 0.14 -1.80 3.42 3.58 -1.89 -3.15 116.42 119.25 3k9m h ASP 224 Ca 0.00 -0.93 -0.66 0.00 0.42 0.00 0.00 57.03 55.86 3k9m h ASP 224 Cb 0.65 -0.05 0.05 0.00 1.72 0.00 0.00 39.33 41.71 3k9m h ASP 224 CO 0.00 1.19 0.53 1.87 -2.88 0.00 0.00 179.24 179.94 3k9m n TRP 225 N -4.43 1.67 0.00 0.28 -0.00 -1.26 -4.61 117.44 109.09 3k9m n TRP 225 Ca -0.14 0.56 0.00 0.00 -0.00 0.00 0.00 57.50 57.92 3k9m n TRP 225 Cb 0.61 -2.38 0.00 0.00 -0.00 0.00 0.00 31.31 29.55 3k9m n TRP 225 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 177.69 178.10 3k9m n GLY 226 N 2.72 2.86 2.74 5.87 0.00 -1.24 -2.33 105.19 115.82 3k9m n GLY 226 Ca 0.18 -0.22 -0.34 0.00 0.00 0.00 0.00 46.02 45.64 3k9m n GLY 226 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3k9m n ASP 227 N 7.00 4.66 -3.01 1.61 -0.08 -0.29 -4.69 116.55 121.75 3k9m n ASP 227 Ca 0.00 -3.37 -0.22 0.00 -1.51 0.00 0.00 54.79 49.68 3k9m n ASP 227 Cb 0.00 -0.93 0.03 0.00 2.34 0.00 0.00 41.12 42.56 3k9m n ASP 227 CO 0.00 0.00 0.00 0.59 0.12 0.00 0.00 177.20 177.91 3k9m n ASN 228 N 1.29 -5.92 0.00 1.67 5.03 -1.24 -2.01 115.26 114.08 3k9m n ASN 228 Ca 0.27 -0.27 0.00 0.00 0.87 0.00 0.00 54.58 55.44 3k9m n ASN 228 Cb 0.38 -4.80 0.00 0.00 -1.02 0.00 0.00 39.78 34.34 3k9m n ASN 228 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 3k9m n GLY 229 N -1.46 2.74 3.98 7.41 0.00 -0.98 -4.67 105.19 112.20 3k9m n GLY 229 Ca -0.11 -0.82 -0.20 0.00 0.00 0.00 0.00 46.02 44.89 3k9m n GLY 229 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3k9m s PHE 230 N -0.72 3.18 0.34 1.61 0.40 -0.85 -2.86 117.98 119.08 3k9m s PHE 230 Ca 0.00 -0.12 0.04 0.00 -0.60 0.00 0.00 56.93 56.25 3k9m s PHE 230 Cb 0.00 -1.98 -0.02 0.00 0.51 0.00 0.00 43.02 41.53 3k9m s PHE 230 CO 0.00 -0.00 0.35 -0.59 0.70 0.00 0.00 175.22 175.68 3k9m s PHE 231 N -2.21 1.54 -0.03 0.36 -0.12 -0.14 -1.14 117.98 116.25 3k9m s PHE 231 Ca 0.44 -1.55 0.02 0.00 -0.05 0.00 0.00 56.93 55.79 3k9m s PHE 231 Cb -0.10 -0.50 0.01 0.00 -0.63 0.00 0.00 43.02 41.80 3k9m s PHE 231 CO 0.32 -0.98 -0.09 0.15 -0.05 0.00 0.00 175.22 174.57 3k9m s LYS 232 N -3.26 1.08 0.13 1.99 1.02 -1.26 -1.04 119.74 118.40 3k9m s LYS 232 Ca 0.37 -0.32 0.07 0.00 0.02 0.00 0.00 55.97 56.11 3k9m s LYS 232 Cb 0.01 -0.99 -0.04 0.00 -0.52 0.00 0.00 37.83 36.30 3k9m s LYS 232 CO 0.26 0.10 -0.16 -1.50 -0.92 0.00 0.00 175.35 173.12 3k9m s ILE 233 N 0.30 1.48 0.11 2.17 2.07 -1.17 0.30 121.20 126.46 3k9m s ILE 233 Ca -0.05 -1.73 -0.34 0.00 -1.41 0.00 0.00 60.65 57.12 3k9m s ILE 233 Cb -0.10 -1.59 -0.14 0.00 0.13 0.00 0.00 42.46 40.76 3k9m s ILE 233 CO 0.01 -0.34 1.59 -0.11 -1.91 0.00 0.00 174.94 174.18 3k9m n LEU 234 N 0.56 2.98 -4.37 8.50 7.94 -0.61 -2.18 117.00 129.81 3k9m n LEU 234 Ca -0.16 1.07 -0.33 0.00 -1.11 0.00 0.00 56.01 55.49 3k9m n LEU 234 Cb 0.56 -1.39 -0.14 0.00 0.53 0.00 0.00 43.42 42.98 3k9m n LEU 234 CO 0.27 -0.34 -0.45 -0.60 -1.11 0.00 0.00 177.39 175.15 3k9m s ARG 235 N 1.32 3.28 0.00 1.96 3.52 0.38 -4.48 118.95 124.93 3k9m s ARG 235 Ca 0.81 -0.70 0.00 0.00 -0.13 0.00 0.00 55.73 55.72 3k9m s ARG 235 Cb -0.72 -2.59 0.00 0.00 -1.56 0.00 0.00 34.95 30.09 3k9m s ARG 235 CO 0.41 0.26 0.00 0.41 -0.81 0.00 0.00 175.30 175.57 3k9m n GLY 236 N 3.39 4.41 0.20 8.12 0.00 -1.26 -4.49 105.19 115.56 3k9m n GLY 236 Ca -0.18 -0.71 0.08 0.00 0.00 0.00 0.00 46.02 45.21 3k9m n GLY 236 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3k9m n GLN 237 N 0.00 1.73 -2.58 1.61 6.02 -1.26 -4.92 117.38 117.98 3k9m n GLN 237 Ca 0.00 -0.44 -0.05 0.00 -0.01 0.00 0.00 57.00 56.50 3k9m n GLN 237 Cb 0.00 -1.27 0.01 0.00 1.02 0.00 0.00 30.24 30.01 3k9m n GLN 237 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 177.06 172.58 3k9m n ASP 238 N -0.70 -2.68 -4.60 1.08 2.03 -1.26 -4.95 116.55 105.47 3k9m n ASP 238 Ca 0.05 -0.08 -0.43 0.00 0.52 0.00 0.00 54.79 54.85 3k9m n ASP 238 Cb 0.30 -1.40 -0.03 0.00 -0.72 0.00 0.00 41.12 39.27 3k9m n ASP 238 CO 0.00 0.00 0.00 -2.28 -1.92 0.00 0.00 177.20 173.00 3k9m s HIS 239 N -2.87 1.47 0.00 -0.67 5.65 -1.26 -0.44 115.29 117.16 3k9m s HIS 239 Ca 0.09 0.55 0.00 0.00 0.25 0.00 0.00 55.06 55.95 3k9m s HIS 239 Cb -0.04 -4.02 0.00 0.00 -1.18 0.00 0.00 32.58 27.34 3k9m s HIS 239 CO 0.11 -3.62 0.00 0.00 -0.65 0.00 0.00 174.74 170.59 3k9m n GLY 241 N -2.55 0.71 0.00 0.00 0.00 0.41 -1.11 105.19 102.66 3k9m n GLY 241 Ca 0.00 -0.55 0.11 0.00 0.00 0.00 0.00 46.02 45.58 3k9m n GLY 241 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 3k9m n ILE 242 N -2.50 0.25 0.04 -0.61 3.06 -1.25 -2.59 119.36 115.76 3k9m n ILE 242 Ca 0.00 0.06 0.02 0.00 -2.50 0.00 0.00 62.75 60.34 3k9m n ILE 242 Cb 0.01 -0.72 -0.04 0.00 0.54 0.00 0.00 39.64 39.44 3k9m n ILE 242 CO 0.00 0.00 0.00 -0.62 -2.50 0.00 0.00 176.55 173.43 3k9m n GLU 243 N -1.20 1.07 0.15 9.51 1.02 -1.26 -4.57 120.64 125.35 3k9m n GLU 243 Ca 0.12 -0.04 0.13 0.00 -0.02 0.00 0.00 57.16 57.35 3k9m n GLU 243 Cb 0.14 -1.05 0.40 0.00 -0.02 0.00 0.00 31.44 30.91 3k9m n GLU 243 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 3k9m h SER 244 N 0.00 0.00 0.00 1.62 4.64 -1.81 -3.32 113.55 114.68 3k9m h SER 244 Ca 0.00 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.31 3k9m h SER 244 Cb 0.21 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.27 3k9m h SER 244 CO 0.00 0.00 -0.31 -0.62 -0.87 0.00 0.00 176.83 175.03 3k9m n GLU 245 N -2.49 1.16 -2.73 4.77 -0.58 -1.25 -4.91 120.64 114.61 3k9m n GLU 245 Ca 0.04 -2.63 -0.42 0.00 -0.42 0.00 0.00 57.16 53.74 3k9m n GLU 245 Cb 0.40 -1.32 -0.03 0.00 -0.57 0.00 0.00 31.44 29.92 3k9m n GLU 245 CO 0.00 0.00 0.00 0.08 -0.48 0.00 0.00 177.13 176.73 3k9m s VAL 246 N -2.49 4.85 0.01 2.62 1.01 -1.25 -4.11 120.40 121.04 3k9m s VAL 246 Ca 0.31 2.01 0.01 0.00 0.00 0.00 0.00 61.98 64.31 3k9m s VAL 246 Cb 0.29 -4.30 -0.01 0.00 0.00 0.00 0.00 36.38 32.37 3k9m s VAL 246 CO -0.02 0.11 -0.03 0.68 0.00 0.00 0.00 175.10 175.83 3k9m s VAL 247 N 1.39 0.25 0.00 2.92 -7.23 0.54 0.17 120.40 118.44 3k9m s VAL 247 Ca 0.49 -0.33 0.00 0.00 -1.81 0.00 0.00 61.98 60.34 3k9m s VAL 247 Cb -0.20 -0.25 0.00 0.00 0.56 0.00 0.00 36.38 36.49 3k9m s VAL 247 CO 0.23 -0.06 0.00 0.00 -0.31 0.00 0.00 175.10 174.97 3k9m n ALA 248 N 2.66 0.00 -3.61 1.32 0.00 -0.82 -1.26 120.51 118.81 3k9m n ALA 248 Ca -0.15 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.28 3k9m n ALA 248 Cb 0.58 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 20.02 3k9m n ALA 248 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 3k9m s GLY 249 N -0.86 -0.31 -0.15 0.00 0.00 -1.26 -1.64 107.32 103.10 3k9m s GLY 249 Ca 0.00 1.49 -0.00 0.00 0.00 0.00 0.00 44.72 46.20 3k9m s GLY 249 CO 0.00 0.45 -0.13 -0.42 0.00 0.00 0.00 173.10 173.00 3k9m s ILE 250 N -2.20 2.94 0.39 0.90 1.01 -0.95 -4.98 121.20 118.31 3k9m s ILE 250 Ca 0.12 -0.69 -0.27 0.00 0.00 0.00 0.00 60.65 59.81 3k9m s ILE 250 Cb 0.01 -2.25 -0.10 0.00 0.01 0.00 0.00 42.46 40.14 3k9m s ILE 250 CO -0.04 0.51 1.40 -2.84 0.00 0.00 0.00 174.94 173.97 3k9m s PRO 251 N 0.64 4.03 0.30 2.79 0.02 -1.26 0.12 135.00 141.64 3k9m s PRO 251 Ca -0.07 2.39 -0.17 0.00 0.02 0.00 0.00 61.00 63.16 3k9m s PRO 251 Cb -0.15 -2.87 -0.09 0.00 0.02 0.00 0.00 34.50 31.40 3k9m s PRO 251 CO 0.03 -0.53 0.75 0.50 -0.33 0.00 0.00 177.00 177.42 3k9m s ARG 252 N -2.15 4.11 0.00 5.54 3.52 0.39 -4.03 118.95 126.34 3k9m s ARG 252 Ca 0.55 0.78 0.00 0.00 -0.13 0.00 0.00 55.73 56.93 3k9m s ARG 252 Cb -0.43 -2.57 0.00 0.00 -1.56 0.00 0.00 34.95 30.39 3k9m s ARG 252 CO 0.57 0.23 0.00 2.41 -0.81 0.00 0.00 175.30 177.69 3k9m n THR 253 N 0.00 0.00 -0.67 4.11 -1.04 -1.26 -4.71 114.28 110.71 3k9m n THR 253 Ca 0.02 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.03 3k9m n THR 253 Cb 0.52 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.03 3k9m n THR 253 CO 0.00 0.00 0.00 0.47 -0.64 0.00 0.00 175.07 174.90