#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3k9m n PRO 2 N 0.00 0.14 -0.13 1.96 -0.04 -1.26 -5.05 135.00 130.62 3k9m n PRO 2 Ca 0.00 -0.05 -0.18 0.00 -0.04 0.00 0.00 63.50 63.23 3k9m n PRO 2 Cb 0.00 -0.03 -0.12 0.00 -0.04 0.00 0.00 33.50 33.31 3k9m n PRO 2 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3k9m n ALA 3 N -3.01 1.44 -2.99 0.55 0.00 -1.26 -4.94 120.51 110.30 3k9m n ALA 3 Ca -0.00 -1.09 -0.12 0.00 0.00 0.00 0.00 53.44 52.22 3k9m n ALA 3 Cb 0.01 -0.08 -0.13 0.00 0.00 0.00 0.00 19.45 19.25 3k9m n ALA 3 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 3k9m s SER 4 N -6.51 -0.11 -0.00 0.00 1.04 -1.26 -4.52 113.70 102.33 3k9m s SER 4 Ca -0.35 0.22 0.01 0.00 0.48 0.00 0.00 55.95 56.31 3k9m s SER 4 Cb 0.09 0.22 0.00 0.00 0.10 0.00 0.00 66.02 66.44 3k9m s SER 4 CO 0.59 -0.04 -0.02 0.12 0.98 0.00 0.00 173.24 174.87 3k9m s PHE 5 N 0.04 0.17 -0.19 5.02 5.36 -0.52 -4.97 117.98 122.89 3k9m s PHE 5 Ca -0.00 -0.02 -0.05 0.00 -0.96 0.00 0.00 56.93 55.90 3k9m s PHE 5 Cb -0.01 -0.13 0.07 0.00 -0.34 0.00 0.00 43.02 42.61 3k9m s PHE 5 CO 0.00 -0.01 0.09 0.34 -1.46 0.00 0.00 175.22 174.18 3k9m s ASP 6 N 0.05 2.58 0.61 6.13 2.15 -1.26 -1.46 116.67 125.47 3k9m s ASP 6 Ca -0.00 -0.74 0.37 0.00 0.43 0.00 0.00 52.55 52.62 3k9m s ASP 6 Cb -0.02 -0.29 2.00 0.00 -0.30 0.00 0.00 42.92 44.32 3k9m s ASP 6 CO -0.00 -0.36 2.25 0.00 -0.17 0.00 0.00 175.17 176.88 3k9m h ALA 7 N 8.40 1.14 0.00 3.66 0.00 -1.87 0.87 119.26 131.47 3k9m h ALA 7 Ca -0.16 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.69 3k9m h ALA 7 Cb 1.13 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.91 3k9m h ALA 7 CO 0.32 0.03 -0.19 0.00 0.00 0.00 0.00 179.25 179.40 3k9m h ARG 8 N 0.00 0.00 0.02 0.00 -0.00 -1.85 -2.52 114.38 110.03 3k9m h ARG 8 Ca -0.00 0.00 -0.21 0.00 -0.50 0.00 0.00 59.98 59.27 3k9m h ARG 8 Cb 0.13 0.00 -0.03 0.00 0.00 0.00 0.00 29.97 30.08 3k9m h ARG 8 CO 0.00 0.19 -1.12 0.93 0.00 0.00 0.00 179.97 179.97 3k9m h GLU 9 N 0.00 0.04 0.00 0.04 5.08 -1.29 -3.30 114.58 115.14 3k9m h GLU 9 Ca -0.00 -0.06 -0.02 0.00 -1.00 0.00 0.00 59.36 58.27 3k9m h GLU 9 Cb 0.56 0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.83 3k9m h GLU 9 CO 0.02 1.03 -0.11 0.37 -1.00 0.00 0.00 179.01 179.32 3k9m h GLN 10 N -0.88 0.00 -2.07 2.33 5.75 -1.34 -3.25 115.11 115.65 3k9m h GLN 10 Ca -0.30 0.00 -0.56 0.00 -0.15 0.00 0.00 58.65 57.64 3k9m h GLN 10 Cb 1.34 0.00 -0.40 0.00 1.07 0.00 0.00 27.48 29.49 3k9m h GLN 10 CO -0.14 0.11 -0.96 0.91 -2.65 0.00 0.00 178.83 176.11 3k9m n TRP 11 N -4.10 1.01 0.76 3.99 8.01 -0.95 -4.92 117.44 121.24 3k9m n TRP 11 Ca -0.02 -3.77 0.08 0.00 -1.31 0.00 0.00 57.50 52.47 3k9m n TRP 11 Cb 0.20 -0.42 0.41 0.00 -2.01 0.00 0.00 31.31 29.49 3k9m n TRP 11 CO 0.00 0.00 0.00 -0.35 -1.01 0.00 0.00 177.69 176.33 3k9m n PRO 12 N 1.01 0.19 0.00 -0.99 -0.04 -1.23 -2.20 135.00 131.75 3k9m n PRO 12 Ca 0.24 0.14 0.14 0.00 -0.04 0.00 0.00 63.50 63.98 3k9m n PRO 12 Cb 0.51 -1.50 0.53 0.00 -0.04 0.00 0.00 33.50 33.00 3k9m n PRO 12 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 3k9m n GLN 13 N -1.33 0.27 -3.46 0.54 3.00 -1.26 -4.59 117.38 110.55 3k9m n GLN 13 Ca 0.07 -0.08 -0.43 0.00 -0.01 0.00 0.00 57.00 56.55 3k9m n GLN 13 Cb 0.15 -1.50 -0.04 0.00 0.00 0.00 0.00 30.24 28.84 3k9m n GLN 13 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 3k9m h PRO 15 N 7.41 0.24 -0.25 0.00 0.13 -1.86 -1.69 132.00 135.99 3k9m h PRO 15 Ca 0.08 -0.01 0.07 0.00 -0.87 0.00 0.00 66.00 65.26 3k9m h PRO 15 Cb 1.00 -0.06 -0.01 0.00 0.13 0.00 0.00 31.00 32.06 3k9m h PRO 15 CO 0.75 0.16 0.37 0.00 -0.23 0.00 0.00 178.00 179.05 3k9m h THR 16 N 0.25 0.27 0.00 1.56 1.03 -1.92 -0.92 112.91 113.18 3k9m h THR 16 Ca 0.66 0.00 0.00 0.00 -0.01 0.00 0.00 66.41 67.06 3k9m h THR 16 Cb 1.44 0.69 0.00 0.00 -1.07 0.00 0.00 68.15 69.21 3k9m h THR 16 CO -0.65 0.00 0.00 -0.38 -0.01 0.00 0.00 175.52 174.48 3k9m n ILE 17 N -3.47 0.57 -0.02 0.00 5.41 -0.63 -3.48 119.36 117.74 3k9m n ILE 17 Ca 0.03 -0.22 0.03 0.00 1.00 0.00 0.00 62.75 63.59 3k9m n ILE 17 Cb 0.49 -0.62 0.06 0.00 -0.71 0.00 0.00 39.64 38.86 3k9m n ILE 17 CO 0.00 0.00 0.00 2.29 0.00 0.00 0.00 176.55 178.84 3k9m n LYS 18 N -2.20 2.23 -3.21 0.38 2.85 -0.35 -4.66 118.16 113.20 3k9m n LYS 18 Ca 0.05 -1.55 -0.35 0.00 -1.05 0.00 0.00 58.31 55.42 3k9m n LYS 18 Cb 0.41 -1.12 -0.06 0.00 -0.65 0.00 0.00 35.03 33.61 3k9m n LYS 18 CO 0.00 0.00 0.00 -2.00 -0.05 0.00 0.00 177.40 175.35 3k9m s GLU 19 N -0.88 4.08 -0.10 -1.58 2.56 -1.19 -5.08 118.70 116.51 3k9m s GLU 19 Ca 0.10 0.66 0.01 0.00 0.00 0.00 0.00 54.97 55.74 3k9m s GLU 19 Cb 0.05 -2.77 0.02 0.00 2.00 0.00 0.00 34.13 33.44 3k9m s GLU 19 CO 0.07 0.35 -0.10 0.42 -0.56 0.00 0.00 175.26 175.45 3k9m s ILE 20 N -1.64 1.08 0.06 -3.70 -1.09 -1.26 -5.05 121.20 109.60 3k9m s ILE 20 Ca 0.45 -0.37 0.02 0.00 -2.23 0.00 0.00 60.65 58.51 3k9m s ILE 20 Cb -0.14 -1.06 -0.04 0.00 -1.58 0.00 0.00 42.46 39.64 3k9m s ILE 20 CO 0.20 0.37 0.10 -0.13 -1.23 0.00 0.00 174.94 174.24 3k9m s ARG 21 N 1.30 2.99 -0.28 2.79 0.52 -1.26 -4.68 118.95 120.33 3k9m s ARG 21 Ca -0.02 -0.61 -0.13 0.00 -0.52 0.00 0.00 55.73 54.44 3k9m s ARG 21 Cb -0.14 -2.80 -0.04 0.00 0.52 0.00 0.00 34.95 32.49 3k9m s ARG 21 CO -0.04 0.59 0.28 0.34 0.02 0.00 0.00 175.30 176.49 3k9m s ASP 22 N -2.25 6.14 0.49 0.23 -1.08 -1.24 -2.29 116.67 116.66 3k9m s ASP 22 Ca 0.29 0.13 0.28 0.00 -0.52 0.00 0.00 52.55 52.73 3k9m s ASP 22 Cb -0.12 -2.17 0.86 0.00 -1.46 0.00 0.00 42.92 40.03 3k9m s ASP 22 CO 0.21 -0.12 1.80 0.06 0.52 0.00 0.00 175.17 177.63 3k9m h GLN 23 N 8.28 0.00 0.00 4.34 3.07 -1.39 -3.46 115.11 125.94 3k9m h GLN 23 Ca -0.33 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.41 3k9m h GLN 23 Cb 1.18 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.74 3k9m h GLN 23 CO 0.60 0.00 0.00 0.41 0.09 0.00 0.00 178.83 179.93 3k9m n GLY 24 N 0.57 1.31 0.59 0.06 0.00 -1.26 -4.31 105.19 102.15 3k9m n GLY 24 Ca 0.02 -0.83 0.04 0.00 0.00 0.00 0.00 46.02 45.25 3k9m n GLY 24 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3k9m n SER 25 N 4.88 0.94 -4.25 1.61 3.41 -1.26 -4.55 113.62 114.40 3k9m n SER 25 Ca 0.00 -2.46 -0.14 0.00 -0.26 0.00 0.00 58.87 56.01 3k9m n SER 25 Cb 0.00 -0.31 -0.10 0.00 -0.26 0.00 0.00 64.21 63.54 3k9m n SER 25 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3k9m n GLY 27 N -0.22 0.95 0.13 0.00 0.00 0.16 -4.42 105.19 101.79 3k9m n GLY 27 Ca -0.09 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.93 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 0.55 0.06 0.02 1.61 3.41 -1.26 -3.84 113.62 114.17 3k9m n SER 28 Ca 0.00 -0.44 -0.11 0.00 -0.26 0.00 0.00 58.87 58.05 3k9m n SER 28 Cb 0.21 -0.03 -0.06 0.00 -0.26 0.00 0.00 64.21 64.08 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 0.04 0.13 0.05 0.00 5.08 -1.79 0.14 115.95 119.59 3k9m h TRP 30 Ca 0.03 0.00 -0.22 0.00 1.08 0.00 0.00 58.89 59.79 3k9m h TRP 30 Cb 0.02 -0.04 -0.02 0.00 -3.00 0.00 0.00 29.16 26.13 3k9m h TRP 30 CO -0.10 0.00 -1.14 0.00 -1.28 0.00 0.00 178.44 175.92 3k9m h ALA 31 N 1.43 0.20 -0.29 0.11 0.00 -1.63 -3.30 119.26 115.77 3k9m h ALA 31 Ca 0.60 -1.06 0.05 0.00 0.00 0.00 0.00 54.91 54.51 3k9m h ALA 31 Cb 2.23 0.52 -0.05 0.00 0.00 0.00 0.00 17.79 20.49 3k9m h ALA 31 CO -0.07 0.66 -0.02 0.74 0.00 0.00 0.00 179.25 180.55 3k9m h PHE 32 N -0.69 -0.06 -0.88 0.00 -1.00 0.85 -1.16 116.94 114.00 3k9m h PHE 32 Ca -0.28 0.02 0.13 0.00 2.81 0.00 0.00 57.97 60.66 3k9m h PHE 32 Cb 1.46 0.07 -0.09 0.00 3.61 0.00 0.00 35.95 41.00 3k9m h PHE 32 CO 0.14 -0.08 0.49 0.78 -1.61 0.00 0.00 178.31 178.03 3k9m h GLY 33 N 0.06 1.42 0.64 -1.45 0.00 -0.97 0.99 103.07 103.75 3k9m h GLY 33 Ca 0.14 -0.30 -0.02 0.00 0.00 0.00 0.00 47.33 47.15 3k9m h GLY 33 CO -0.26 0.03 -0.17 0.00 0.00 0.00 0.00 176.54 176.15 3k9m h ALA 34 N 1.53 -0.48 -0.23 3.60 0.00 -1.57 -2.13 119.26 119.97 3k9m h ALA 34 Ca 0.46 -0.19 -0.02 0.00 0.00 0.00 0.00 54.91 55.16 3k9m h ALA 34 Cb 0.57 0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.54 3k9m h ALA 34 CO -0.32 -0.59 0.07 -0.39 0.00 0.00 0.00 179.25 178.02 3k9m h VAL 35 N -0.85 1.20 -0.25 0.00 -1.51 -0.99 0.19 116.25 114.03 3k9m h VAL 35 Ca -0.05 -0.62 0.06 0.00 -1.23 0.00 0.00 66.70 64.86 3k9m h VAL 35 Cb 0.53 1.18 -0.08 0.00 -2.13 0.00 0.00 31.29 30.79 3k9m h VAL 35 CO 0.08 0.20 -0.33 -0.33 -1.23 0.00 0.00 177.57 175.96 3k9m h GLU 36 N 0.20 -0.32 -0.42 5.19 5.08 -0.91 0.19 114.58 123.59 3k9m h GLU 36 Ca 0.07 0.02 -0.09 0.00 -1.00 0.00 0.00 59.36 58.36 3k9m h GLU 36 Cb 0.24 0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.55 3k9m h GLU 36 CO -0.00 -0.22 -0.10 0.00 -1.00 0.00 0.00 179.01 177.70 3k9m h ALA 37 N 0.55 0.58 -0.78 3.43 0.00 -1.04 -2.48 119.26 119.52 3k9m h ALA 37 Ca 0.13 -0.32 0.07 0.00 0.00 0.00 0.00 54.91 54.79 3k9m h ALA 37 Cb 0.54 -0.15 -0.06 0.00 0.00 0.00 0.00 17.79 18.12 3k9m h ALA 37 CO -0.44 0.45 0.46 0.82 0.00 0.00 0.00 179.25 180.54 3k9m h ILE 38 N 0.63 0.98 -0.45 0.00 2.04 -0.29 -2.12 117.51 118.28 3k9m h ILE 38 Ca 0.11 -0.28 0.05 0.00 1.00 0.00 0.00 64.86 65.73 3k9m h ILE 38 Cb 0.62 0.09 -0.04 0.00 -0.74 0.00 0.00 36.82 36.75 3k9m h ILE 38 CO 0.04 0.15 0.20 0.28 0.00 0.00 0.00 178.15 178.82 3k9m h SER 39 N 0.82 0.26 -0.50 1.72 0.02 -0.31 -1.14 113.55 114.42 3k9m h SER 39 Ca 0.36 0.04 0.04 0.00 -0.84 0.00 0.00 61.79 61.38 3k9m h SER 39 Cb 0.23 -0.00 -0.04 0.00 0.14 0.00 0.00 62.40 62.73 3k9m h SER 39 CO -0.20 0.18 0.25 0.44 -1.14 0.00 0.00 176.83 176.37 3k9m h ASP 40 N 0.40 0.37 -0.31 3.07 3.32 -0.96 -2.76 116.42 119.54 3k9m h ASP 40 Ca 0.21 0.03 -0.08 0.00 0.02 0.00 0.00 57.03 57.20 3k9m h ASP 40 Cb 0.16 -0.04 -0.01 0.00 0.22 0.00 0.00 39.33 39.65 3k9m h ASP 40 CO -0.17 0.25 -0.10 0.03 -1.72 0.00 0.00 179.24 177.53 3k9m h ARG 41 N 0.50 0.62 -0.53 3.56 3.08 -1.00 0.16 114.38 120.76 3k9m h ARG 41 Ca 0.22 -0.25 0.11 0.00 0.07 0.00 0.00 59.98 60.12 3k9m h ARG 41 Cb 0.12 -0.03 -0.10 0.00 0.08 0.00 0.00 29.97 30.04 3k9m h ARG 41 CO -0.15 0.82 -0.14 0.82 -1.07 0.00 0.00 179.97 180.25 3k9m h ILE 42 N 0.39 0.46 -0.43 2.04 2.04 -1.15 0.23 117.51 121.09 3k9m h ILE 42 Ca 0.08 0.00 -0.07 0.00 1.00 0.00 0.00 64.86 65.87 3k9m h ILE 42 Cb 0.61 0.46 -0.02 0.00 -0.74 0.00 0.00 36.82 37.13 3k9m h ILE 42 CO 0.04 0.00 -0.02 0.00 0.00 0.00 0.00 178.15 178.17 3k9m h ILE 44 N 0.67 0.95 0.00 0.00 2.04 0.16 0.21 117.51 121.54 3k9m h ILE 44 Ca 0.13 -0.64 0.00 0.00 1.00 0.00 0.00 64.86 65.35 3k9m h ILE 44 Cb 0.44 1.34 0.00 0.00 -0.74 0.00 0.00 36.82 37.86 3k9m h ILE 44 CO 0.02 0.15 0.00 1.41 0.00 0.00 0.00 178.15 179.73 3k9m n HIS 45 N -5.05 0.00 0.01 1.37 8.25 0.59 -1.73 115.22 118.66 3k9m n HIS 45 Ca -0.09 0.00 0.01 0.00 -0.26 0.00 0.00 57.72 57.38 3k9m n HIS 45 Cb 0.22 0.00 0.02 0.00 1.12 0.00 0.00 29.99 31.35 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 -0.74 0.62 -3.87 1.59 -2.24 -1.10 -4.79 114.28 103.75 3k9m n THR 46 Ca 0.09 -0.81 -0.28 0.00 -2.27 0.00 0.00 64.05 60.78 3k9m n THR 46 Cb 0.04 0.71 0.03 0.00 -2.10 0.00 0.00 70.33 69.01 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 -0.13 -3.96 0.00 3.42 3.02 -0.71 -1.57 115.26 115.34 3k9m n ASN 47 Ca 0.02 -0.79 0.00 0.00 -0.03 0.00 0.00 54.58 53.78 3k9m n ASN 47 Cb 0.20 -3.90 0.00 0.00 -0.61 0.00 0.00 39.78 35.47 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 -4.60 0.00 0.16 5.41 0.00 0.73 -4.89 120.51 117.33 3k9m n ALA 48 Ca -0.04 0.00 0.02 0.00 0.00 0.00 0.00 53.44 53.42 3k9m n ALA 48 Cb 0.56 -0.63 0.26 0.00 0.00 0.00 0.00 19.45 19.64 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 0.00 -3.71 0.00 3.86 -1.53 -3.39 115.15 110.38 3k9m h HIS 49 Ca 0.00 0.00 -0.68 0.00 -1.16 0.00 0.00 60.37 58.53 3k9m h HIS 49 Cb 0.39 0.00 -0.32 0.00 1.06 0.00 0.00 27.41 28.53 3k9m h HIS 49 CO 0.24 0.49 -0.71 0.08 0.86 0.00 0.00 177.93 178.90 3k9m s VAL 50 N -3.67 3.03 -0.26 2.45 1.01 -1.26 -5.07 120.40 116.62 3k9m s VAL 50 Ca -0.01 -1.27 0.02 0.00 0.00 0.00 0.00 61.98 60.72 3k9m s VAL 50 Cb 0.12 -2.69 0.06 0.00 0.00 0.00 0.00 36.38 33.87 3k9m s VAL 50 CO 0.73 -0.04 -0.10 -0.44 0.00 0.00 0.00 175.10 175.25 3k9m s SER 51 N 1.28 4.47 0.03 3.32 0.01 -1.26 -3.41 113.70 118.15 3k9m s SER 51 Ca -0.04 -1.36 0.01 0.00 1.31 0.00 0.00 55.95 55.87 3k9m s SER 51 Cb -0.19 -1.57 -0.02 0.00 0.21 0.00 0.00 66.02 64.45 3k9m s SER 51 CO -0.01 -0.19 -0.04 0.68 0.41 0.00 0.00 173.24 174.08 3k9m s VAL 52 N 1.13 0.26 -0.59 3.43 -7.23 -1.26 -0.60 120.40 115.53 3k9m s VAL 52 Ca -0.08 -1.08 -0.20 0.00 -1.81 0.00 0.00 61.98 58.82 3k9m s VAL 52 Cb -0.20 -0.52 0.09 0.00 0.56 0.00 0.00 36.38 36.31 3k9m s VAL 52 CO -0.05 -0.53 0.74 -1.61 -0.31 0.00 0.00 175.10 173.35 3k9m s GLU 53 N -1.81 3.07 0.35 4.82 2.02 0.94 -4.73 118.70 123.37 3k9m s GLU 53 Ca -0.11 -1.16 -0.28 0.00 0.02 0.00 0.00 54.97 53.43 3k9m s GLU 53 Cb -0.08 -4.23 -0.12 0.00 0.10 0.00 0.00 34.13 29.80 3k9m s GLU 53 CO -0.02 -1.54 1.44 0.28 0.02 0.00 0.00 175.26 175.44 3k9m n VAL 54 N 5.63 1.83 -2.02 2.63 0.31 -1.26 0.55 118.33 126.00 3k9m n VAL 54 Ca -0.08 -0.46 -0.42 0.00 -0.01 0.00 0.00 64.34 63.37 3k9m n VAL 54 Cb 0.43 -1.84 -0.03 0.00 -0.91 0.00 0.00 33.84 31.50 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 -0.08 6.68 -0.08 4.52 0.15 0.05 -4.52 113.70 120.42 3k9m s SER 55 Ca 0.56 2.30 -0.27 0.00 0.70 0.00 0.00 55.95 59.24 3k9m s SER 55 Cb -0.51 -2.55 -0.22 0.00 -1.71 0.00 0.00 66.02 61.02 3k9m s SER 55 CO 0.61 -0.87 1.00 0.00 1.20 0.00 0.00 173.24 175.18 3k9m h ALA 56 N 8.78 -0.01 -0.96 5.45 0.00 -1.91 -3.11 119.26 127.50 3k9m h ALA 56 Ca -0.40 -0.36 0.30 0.00 0.00 0.00 0.00 54.91 54.45 3k9m h ALA 56 Cb 1.19 0.01 -0.15 0.00 0.00 0.00 0.00 17.79 18.83 3k9m h ALA 56 CO 0.94 -0.14 0.40 1.49 0.00 0.00 0.00 179.25 181.93 3k9m h GLU 57 N -0.75 0.22 0.09 0.00 4.57 -1.82 0.17 114.58 117.06 3k9m h GLU 57 Ca -0.00 -0.01 -0.00 0.00 -1.18 0.00 0.00 59.36 58.16 3k9m h GLU 57 Cb 0.72 -0.05 0.00 0.00 -0.16 0.00 0.00 28.75 29.26 3k9m h GLU 57 CO 0.00 0.14 -0.05 0.22 -1.18 0.00 0.00 179.01 178.15 3k9m h ASP 58 N 0.22 -0.11 -0.76 1.04 3.58 -1.79 0.25 116.42 118.86 3k9m h ASP 58 Ca 0.67 -0.29 -0.04 0.00 0.42 0.00 0.00 57.03 57.78 3k9m h ASP 58 Cb 1.49 0.03 -0.03 0.00 1.72 0.00 0.00 39.33 42.54 3k9m h ASP 58 CO -0.67 0.25 0.32 0.25 -2.88 0.00 0.00 179.24 176.50 3k9m h LEU 59 N -0.47 1.05 0.34 2.28 5.85 -1.32 -0.73 115.31 122.30 3k9m h LEU 59 Ca -0.01 -0.15 -0.02 0.00 0.84 0.00 0.00 57.88 58.54 3k9m h LEU 59 Cb 0.39 -0.27 0.00 0.00 0.37 0.00 0.00 40.66 41.16 3k9m h LEU 59 CO 0.02 0.93 -0.16 0.25 -0.34 0.00 0.00 178.44 179.14 3k9m h LEU 60 N 1.12 -0.38 0.17 2.25 5.85 -0.63 -2.91 115.31 120.78 3k9m h LEU 60 Ca 0.26 -0.15 -0.26 0.00 0.84 0.00 0.00 57.88 58.56 3k9m h LEU 60 Cb 0.20 0.10 0.02 0.00 0.37 0.00 0.00 40.66 41.35 3k9m h LEU 60 CO -0.02 -0.03 -1.21 0.71 -0.34 0.00 0.00 178.44 177.55 3k9m h THR 61 N -0.78 1.30 0.03 1.05 1.35 -0.85 -1.84 112.91 113.17 3k9m h THR 61 Ca -0.05 -2.56 -0.30 0.00 -0.55 0.00 0.00 66.41 62.96 3k9m h THR 61 Cb 0.51 3.03 -0.04 0.00 -1.73 0.00 0.00 68.15 69.92 3k9m h THR 61 CO 0.08 0.75 -1.67 0.00 -0.25 0.00 0.00 175.52 174.43 3k9m n GLY 64 N -0.45 2.01 0.25 0.00 0.00 -0.69 -0.51 105.19 105.80 3k9m n GLY 64 Ca 0.00 0.43 0.10 0.00 0.00 0.00 0.00 46.02 46.55 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 0.94 1.61 4.64 -1.85 -2.91 113.55 115.98 3k9m h SER 65 Ca 0.00 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.32 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 0.11 -0.01 -0.03 -0.87 0.00 0.00 176.83 176.04 3k9m h MET 66 N 0.00 0.00 0.00 4.77 -1.53 -1.15 -3.20 114.93 113.82 3k9m h MET 66 Ca -0.00 0.00 -0.01 0.00 -3.44 0.00 0.00 59.70 56.25 3k9m h MET 66 Cb 0.24 0.00 -0.02 0.00 -0.55 0.00 0.00 31.60 31.27 3k9m h MET 66 CO 0.01 0.01 -0.49 0.00 0.14 0.00 0.00 176.91 176.58 3k9m n GLY 68 N -1.07 0.20 2.22 0.00 0.00 -1.21 -2.29 105.19 103.04 3k9m n GLY 68 Ca 0.18 -2.21 -0.28 0.00 0.00 0.00 0.00 46.02 43.71 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 5.84 0.00 1.61 2.03 0.24 -4.32 116.55 121.95 3k9m n ASP 69 Ca 0.00 -3.76 0.00 0.00 0.52 0.00 0.00 54.79 51.55 3k9m n ASP 69 Cb 0.00 -0.58 0.00 0.00 -0.72 0.00 0.00 41.12 39.82 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 -0.73 3.89 0.00 0.27 0.00 -1.17 -1.66 105.19 105.78 3k9m n GLY 70 Ca 0.49 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.56 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 -0.92 3.79 0.00 0.00 3.02 -0.67 0.37 115.26 120.86 3k9m n ASN 72 Ca 0.08 -2.86 0.00 0.00 -0.03 0.00 0.00 54.58 51.76 3k9m n ASN 72 Cb 0.03 -0.50 0.00 0.00 -0.61 0.00 0.00 39.78 38.70 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 -0.32 1.62 3.86 7.41 0.00 -0.88 -4.76 105.19 112.11 3k9m n GLY 73 Ca 0.20 -2.02 -0.00 0.00 0.00 0.00 0.00 46.02 44.19 3k9m n GLY 73 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3k9m s GLY 74 N 0.00 -0.09 -0.70 -0.02 0.00 -1.26 -0.59 107.32 104.65 3k9m s GLY 74 Ca 0.00 0.01 -0.10 0.00 0.00 0.00 0.00 44.72 44.63 3k9m s GLY 74 CO 0.00 2.78 0.60 -0.19 0.00 0.00 0.00 173.10 176.29 3k9m s TYR 75 N -2.28 3.58 0.58 1.90 1.51 -0.97 -4.82 117.35 116.84 3k9m s TYR 75 Ca 0.22 -2.13 0.28 0.00 -1.01 0.00 0.00 57.07 54.43 3k9m s TYR 75 Cb -0.00 -3.60 1.53 0.00 -0.11 0.00 0.00 41.96 39.77 3k9m s TYR 75 CO 0.01 -0.95 1.98 -1.00 -1.11 0.00 0.00 175.55 174.48 3k9m h PRO 76 N 7.74 0.00 -0.29 -1.71 0.13 -1.88 0.64 132.00 136.63 3k9m h PRO 76 Ca -0.00 0.00 0.01 0.00 -0.87 0.00 0.00 66.00 65.14 3k9m h PRO 76 Cb 1.02 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.14 3k9m h PRO 76 CO 0.78 0.00 0.18 0.00 -0.23 0.00 0.00 178.00 178.73 3k9m h ALA 77 N 1.60 0.36 -0.35 -0.56 0.00 -1.92 -2.94 119.26 115.46 3k9m h ALA 77 Ca 0.18 -0.01 0.02 0.00 0.00 0.00 0.00 54.91 55.10 3k9m h ALA 77 Cb 0.92 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.59 3k9m h ALA 77 CO -0.00 -0.19 0.18 0.93 0.00 0.00 0.00 179.25 180.17 3k9m h GLU 78 N 0.36 0.36 -1.00 0.00 4.39 -0.09 -2.55 114.58 116.05 3k9m h GLU 78 Ca 0.11 -0.02 0.23 0.00 0.34 0.00 0.00 59.36 60.02 3k9m h GLU 78 Cb -0.02 -0.08 -0.12 0.00 -0.10 0.00 0.00 28.75 28.43 3k9m h GLU 78 CO -0.04 0.24 0.59 0.00 -1.16 0.00 0.00 179.01 178.64 3k9m h ALA 79 N 1.17 1.74 -0.08 3.43 0.00 -1.31 -0.04 119.26 124.17 3k9m h ALA 79 Ca 0.14 0.11 -0.13 0.00 0.00 0.00 0.00 54.91 55.04 3k9m h ALA 79 Cb 0.04 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 3k9m h ALA 79 CO -0.09 -0.21 -0.52 -1.49 0.00 0.00 0.00 179.25 176.95 3k9m h TRP 80 N 0.63 0.28 -0.76 0.00 4.06 -1.29 -3.09 115.95 115.78 3k9m h TRP 80 Ca 0.62 -0.09 0.01 0.00 2.06 0.00 0.00 58.89 61.49 3k9m h TRP 80 Cb 1.12 -0.05 -0.04 0.00 -1.00 0.00 0.00 29.16 29.19 3k9m h TRP 80 CO -0.01 0.69 0.49 -0.91 -3.56 0.00 0.00 178.44 175.15 3k9m h ASN 81 N 0.18 0.88 -0.18 -3.49 -0.26 -0.82 -2.75 115.58 109.14 3k9m h ASN 81 Ca 0.00 -0.03 -0.04 0.00 -0.56 0.00 0.00 56.30 55.68 3k9m h ASN 81 Cb 0.97 -0.22 -0.01 0.00 -1.06 0.00 0.00 38.32 38.01 3k9m h ASN 81 CO 0.08 0.65 -0.03 0.15 -1.06 0.00 0.00 177.43 177.22 3k9m h PHE 82 N 1.03 0.37 -0.96 1.19 3.04 -1.39 0.15 116.94 120.37 3k9m h PHE 82 Ca 0.28 -0.08 0.31 0.00 3.98 0.00 0.00 57.97 62.46 3k9m h PHE 82 Cb -0.10 -0.09 -0.16 0.00 2.56 0.00 0.00 35.95 38.16 3k9m h PHE 82 CO -0.02 0.58 0.40 2.35 -2.02 0.00 0.00 178.31 179.60 3k9m h TRP 83 N 0.05 0.62 0.00 0.41 7.01 -1.50 0.78 115.95 123.31 3k9m h TRP 83 Ca 0.05 0.05 -0.15 0.00 2.11 0.00 0.00 58.89 60.94 3k9m h TRP 83 Cb 0.45 -0.11 -0.02 0.00 -2.10 0.00 0.00 29.16 27.38 3k9m h TRP 83 CO 0.05 -0.28 -0.71 1.15 -2.79 0.00 0.00 178.44 175.86 3k9m h THR 84 N 0.19 1.40 0.00 2.65 2.02 -0.77 -1.83 112.91 116.57 3k9m h THR 84 Ca 0.68 -2.51 0.00 0.00 0.77 0.00 0.00 66.41 65.35 3k9m h THR 84 Cb 1.56 2.40 0.00 0.00 -1.74 0.00 0.00 68.15 70.36 3k9m h THR 84 CO -0.69 0.69 0.00 0.54 0.37 0.00 0.00 175.52 176.43 3k9m n ARG 85 N -3.54 0.00 -0.16 6.66 5.12 0.11 -4.73 116.66 120.11 3k9m n ARG 85 Ca -0.00 0.14 0.09 0.00 -1.93 0.00 0.00 57.85 56.15 3k9m n ARG 85 Cb 0.73 -0.54 0.17 0.00 -1.16 0.00 0.00 32.46 31.67 3k9m n ARG 85 CO 0.00 0.00 0.00 1.63 -1.93 0.00 0.00 177.63 177.33 3k9m n LYS 86 N -1.51 2.25 -0.05 5.56 5.02 0.23 -5.03 118.16 124.63 3k9m n LYS 86 Ca 0.00 -2.05 0.01 0.00 -2.02 0.00 0.00 58.31 54.25 3k9m n LYS 86 Cb 0.00 -1.40 -0.00 0.00 -0.02 0.00 0.00 35.03 33.61 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 1.09 -0.89 3.17 0.72 0.00 -0.57 -4.93 105.19 103.77 3k9m n GLY 87 Ca 0.15 -0.93 -0.12 0.00 0.00 0.00 0.00 46.02 45.12 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 0.00 1.25 0.00 0.99 1.43 -1.16 -4.56 118.68 116.62 3k9m s LEU 88 Ca 0.00 -0.13 0.00 0.00 -1.03 0.00 0.00 54.13 52.97 3k9m s LEU 88 Cb 0.00 0.96 0.00 0.00 0.03 0.00 0.00 46.19 47.18 3k9m s LEU 88 CO 0.00 -0.44 0.00 1.33 0.23 0.00 0.00 176.35 177.47 3k9m n VAL 89 N 1.23 0.00 -4.49 -1.59 0.24 -1.26 0.87 118.33 113.33 3k9m n VAL 89 Ca -0.22 0.00 -0.24 0.00 -2.04 0.00 0.00 64.34 61.85 3k9m n VAL 89 Cb 0.56 -0.46 -0.10 0.00 -1.47 0.00 0.00 33.84 32.37 3k9m n VAL 89 CO 0.00 0.00 0.00 -0.94 -2.14 0.00 0.00 176.83 173.75 3k9m s SER 90 N -1.00 3.24 0.00 -1.34 1.04 -1.26 -0.77 113.70 113.61 3k9m s SER 90 Ca 0.00 -1.21 0.00 0.00 0.48 0.00 0.00 55.95 55.22 3k9m s SER 90 Cb 0.00 -0.26 0.00 0.00 0.10 0.00 0.00 66.02 65.86 3k9m s SER 90 CO 0.00 -0.30 0.07 0.61 0.98 0.00 0.00 173.24 174.60 3k9m n GLY 91 N -0.70 0.66 3.41 7.32 0.00 0.19 0.87 105.19 116.93 3k9m n GLY 91 Ca -0.05 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.84 3k9m n GLY 91 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3k9m s GLY 92 N -0.11 -0.39 0.02 -0.02 0.00 -1.10 -3.65 107.32 102.08 3k9m s GLY 92 Ca 0.00 1.50 0.03 0.00 0.00 0.00 0.00 44.72 46.26 3k9m s GLY 92 CO 0.00 1.35 -0.10 -2.27 0.00 0.00 0.00 173.10 172.08 3k9m s LEU 93 N 0.46 2.12 0.36 0.66 0.20 -0.93 -0.04 118.68 121.50 3k9m s LEU 93 Ca -0.01 -0.33 -0.28 0.00 0.69 0.00 0.00 54.13 54.20 3k9m s LEU 93 Cb -0.04 -0.43 -0.12 0.00 -0.43 0.00 0.00 46.19 45.17 3k9m s LEU 93 CO -0.02 0.02 1.33 0.00 -0.29 0.00 0.00 176.35 177.39 3k9m n TYR 94 N 2.26 2.43 -1.94 5.38 4.19 0.23 -0.88 117.16 128.83 3k9m n TYR 94 Ca -0.17 0.52 -0.10 0.00 3.31 0.00 0.00 57.90 61.47 3k9m n TYR 94 Cb 0.56 -2.44 -0.02 0.00 0.49 0.00 0.00 39.34 37.94 3k9m n TYR 94 CO 0.00 0.00 0.00 -1.91 0.91 0.00 0.00 176.86 175.86 3k9m n GLU 95 N 0.48 -0.76 -3.74 2.98 4.07 -1.26 -4.62 120.64 117.79 3k9m n GLU 95 Ca 0.04 0.58 -0.32 0.00 -0.06 0.00 0.00 57.16 57.40 3k9m n GLU 95 Cb 0.37 -4.59 0.04 0.00 -0.06 0.00 0.00 31.44 27.19 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 0.19 -4.78 -4.41 4.31 7.64 -0.06 -5.00 113.62 111.50 3k9m n SER 96 Ca -0.11 -1.04 -0.29 0.00 1.01 0.00 0.00 58.87 58.44 3k9m n SER 96 Cb 0.52 -3.22 -0.13 0.00 -1.01 0.00 0.00 64.21 60.38 3k9m n SER 96 CO 0.00 0.00 0.00 -2.28 -3.01 0.00 0.00 175.04 169.75 3k9m s HIS 97 N -3.51 2.35 0.25 1.43 2.46 -0.92 -5.00 115.29 112.35 3k9m s HIS 97 Ca 0.44 -0.36 -0.31 0.00 0.47 0.00 0.00 55.06 55.30 3k9m s HIS 97 Cb -0.16 -1.26 -0.12 0.00 -0.13 0.00 0.00 32.58 30.91 3k9m s HIS 97 CO 0.87 0.37 1.65 1.55 -2.47 0.00 0.00 174.74 176.70 3k9m n VAL 98 N 0.81 0.55 -0.63 0.89 3.14 -1.26 -2.18 118.33 119.65 3k9m n VAL 98 Ca -0.17 -0.14 -0.17 0.00 -2.96 0.00 0.00 64.34 60.90 3k9m n VAL 98 Cb 0.53 -1.94 0.15 0.00 -1.06 0.00 0.00 33.84 31.52 3k9m n VAL 98 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 3k9m n GLY 99 N 2.97 -2.95 0.15 7.55 0.00 -1.24 -4.76 105.19 106.91 3k9m n GLY 99 Ca 0.12 -1.42 -0.05 0.00 0.00 0.00 0.00 46.02 44.67 3k9m n GLY 99 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3k9m s ARG 101 N -2.91 1.79 0.92 0.00 0.52 0.25 -1.79 118.95 117.73 3k9m s ARG 101 Ca -0.05 -2.50 -0.12 0.00 -0.52 0.00 0.00 55.73 52.55 3k9m s ARG 101 Cb 0.01 -2.97 0.14 0.00 0.52 0.00 0.00 34.95 32.64 3k9m s ARG 101 CO 0.16 -1.15 1.09 -2.14 0.02 0.00 0.00 175.30 173.28 3k9m s PRO 102 N -0.21 1.09 -0.05 3.54 0.02 -1.26 -4.25 135.00 133.89 3k9m s PRO 102 Ca 0.18 0.82 -0.30 0.00 0.02 0.00 0.00 61.00 61.72 3k9m s PRO 102 Cb -0.22 -1.79 -0.03 0.00 0.02 0.00 0.00 34.50 32.48 3k9m s PRO 102 CO -0.02 -2.35 1.14 -0.47 -0.33 0.00 0.00 177.00 174.97 3k9m s TYR 103 N -2.91 3.32 -0.93 6.54 5.04 -1.26 -4.62 117.35 122.54 3k9m s TYR 103 Ca 0.64 1.34 0.10 0.00 -2.44 0.00 0.00 57.07 56.71 3k9m s TYR 103 Cb -0.18 -3.35 -0.00 0.00 0.35 0.00 0.00 41.96 38.78 3k9m s TYR 103 CO 0.57 -0.98 0.64 0.43 -1.34 0.00 0.00 175.55 174.87 3k9m n SER 104 N 4.93 1.23 -4.64 4.32 7.64 -1.26 -4.92 113.62 120.92 3k9m n SER 104 Ca 0.10 -1.11 -0.43 0.00 1.01 0.00 0.00 58.87 58.44 3k9m n SER 104 Cb 0.47 0.46 -0.02 0.00 -1.01 0.00 0.00 64.21 64.11 3k9m n SER 104 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 3k9m s ILE 105 N -1.34 4.22 0.37 0.44 1.09 -1.26 -4.99 121.20 119.73 3k9m s ILE 105 Ca 0.08 1.40 -0.25 0.00 -1.10 0.00 0.00 60.65 60.79 3k9m s ILE 105 Cb 0.08 -4.17 -0.13 0.00 -1.06 0.00 0.00 42.46 37.18 3k9m s ILE 105 CO 0.25 -0.42 0.73 -2.65 -0.10 0.00 0.00 174.94 172.75 3k9m n PRO 106 N 7.13 0.82 -1.78 2.79 -0.02 -1.26 -4.75 135.00 137.94 3k9m n PRO 106 Ca 0.14 0.29 -0.35 0.00 -2.02 0.00 0.00 63.50 61.57 3k9m n PRO 106 Cb 0.46 -1.62 0.05 0.00 -0.02 0.00 0.00 33.50 32.37 3k9m n PRO 106 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 3k9m s PRO 107 N -1.59 2.69 -0.11 0.52 0.04 -1.26 -4.24 135.00 131.04 3k9m s PRO 107 Ca 0.62 1.67 0.12 0.00 0.04 0.00 0.00 61.00 63.46 3k9m s PRO 107 Cb -0.65 -1.91 -0.18 0.00 0.04 0.00 0.00 34.50 31.80 3k9m s PRO 107 CO 0.58 -1.39 0.10 0.00 0.04 0.00 0.00 177.00 176.33 3k9m s GLU 109 N -2.47 2.23 0.00 0.00 0.41 -1.26 -4.58 118.70 113.03 3k9m s GLU 109 Ca -0.06 -3.07 0.00 0.00 -0.41 0.00 0.00 54.97 51.43 3k9m s GLU 109 Cb 0.05 -3.25 0.00 0.00 -1.78 0.00 0.00 34.13 29.15 3k9m s GLU 109 CO 0.56 -1.25 0.21 -2.39 -0.49 0.00 0.00 175.26 171.90 3k9m n HIS 110 N 2.33 0.00 -3.33 1.61 1.44 -1.26 -4.95 115.22 111.07 3k9m n HIS 110 Ca 0.16 0.00 -0.18 0.00 -2.01 0.00 0.00 57.72 55.69 3k9m n HIS 110 Cb 0.35 0.18 0.06 0.00 0.12 0.00 0.00 29.99 30.70 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 -2.19 -1.08 -1.40 -0.00 -1.26 -4.91 115.22 104.37 3k9m n HIS 111 Ca 0.00 0.80 -0.36 0.00 0.46 0.00 0.00 57.72 58.62 3k9m n HIS 111 Cb 0.33 -4.25 0.07 0.00 -0.12 0.00 0.00 29.99 26.03 3k9m n HIS 111 CO 0.00 0.00 0.00 1.55 0.46 0.00 0.00 176.34 178.35 3k9m n VAL 112 N -4.31 0.74 -1.03 3.57 3.14 -1.22 -3.19 118.33 116.02 3k9m n VAL 112 Ca -0.03 -0.37 -0.01 0.00 -2.96 0.00 0.00 64.34 60.96 3k9m n VAL 112 Cb 0.56 -0.48 -0.00 0.00 -1.06 0.00 0.00 33.84 32.86 3k9m n VAL 112 CO 0.00 0.00 0.00 0.59 -6.46 0.00 0.00 176.83 170.96 3k9m n ASN 113 N 0.50 -3.95 -0.55 6.55 4.13 -1.26 -2.63 115.26 118.05 3k9m n ASN 113 Ca 0.06 0.03 -0.02 0.00 1.68 0.00 0.00 54.58 56.33 3k9m n ASN 113 Cb 0.52 -1.55 0.00 0.00 -1.54 0.00 0.00 39.78 37.22 3k9m n ASN 113 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 3k9m n GLY 114 N -1.78 0.66 0.00 7.41 0.00 -1.26 -4.98 105.19 105.24 3k9m n GLY 114 Ca -0.01 -0.68 0.00 0.00 0.00 0.00 0.00 46.02 45.33 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 1.34 0.00 0.00 1.61 3.41 -1.08 -5.13 113.62 113.77 3k9m n SER 115 Ca -0.01 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.60 3k9m n SER 115 Cb 0.51 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.46 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 0.00 0.00 0.00 4.33 1.85 -1.19 -4.77 116.66 116.87 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 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 31.41 3k9m n ARG 116 CO 0.00 0.00 0.00 -2.30 -0.01 0.00 0.00 177.63 175.32 3k9m n PRO 117 N 0.00 0.00 0.00 2.89 -0.02 -1.26 -3.44 135.00 133.17 3k9m n PRO 117 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.48 3k9m n PRO 117 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.48 3k9m n PRO 117 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 3k9m n PRO 118 N 0.00 1.85 0.00 0.52 -0.04 -1.26 -4.69 135.00 131.39 3k9m n PRO 118 Ca 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 3k9m n PRO 118 Cb 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.46 3k9m n PRO 118 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3k9m n THR 120 N 0.00 2.25 0.00 0.00 -2.24 -1.26 -4.22 114.28 108.81 3k9m n THR 120 Ca 0.00 -0.90 0.00 0.00 -2.27 0.00 0.00 64.05 60.88 3k9m n THR 120 Cb 0.00 -1.70 0.00 0.00 -2.10 0.00 0.00 70.33 66.53 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 2.06 -0.42 0.00 3.38 0.00 -1.25 -4.87 105.19 104.09 3k9m n GLY 121 Ca 0.20 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.22 3k9m n GLY 121 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 3k9m n GLU 122 N -1.42 0.00 -2.28 1.61 4.07 -1.26 -5.04 120.64 116.33 3k9m n GLU 122 Ca 0.00 0.00 -0.43 0.00 -0.06 0.00 0.00 57.16 56.67 3k9m n GLU 122 Cb 0.02 0.00 -0.02 0.00 -0.06 0.00 0.00 31.44 31.38 3k9m n GLU 122 CO 0.00 0.00 0.00 0.20 -0.06 0.00 0.00 177.13 177.27 3k9m s GLY 123 N 0.00 1.70 -0.20 8.31 0.00 -1.26 -5.02 107.32 110.85 3k9m s GLY 123 Ca 0.00 0.68 -0.16 0.00 0.00 0.00 0.00 44.72 45.25 3k9m s GLY 123 CO 0.00 2.62 0.51 0.51 0.00 0.00 0.00 173.10 176.73 3k9m s ASP 124 N 2.27 -0.57 -0.09 1.64 -4.77 -1.26 -5.15 116.67 108.75 3k9m s ASP 124 Ca 0.62 1.05 -0.30 0.00 -3.30 0.00 0.00 52.55 50.61 3k9m s ASP 124 Cb -0.27 1.02 -0.02 0.00 -1.09 0.00 0.00 42.92 42.56 3k9m s ASP 124 CO 0.22 -0.19 1.11 -0.89 0.70 0.00 0.00 175.17 176.12 3k9m s THR 125 N 0.65 4.51 1.19 2.11 2.01 -1.26 -4.92 115.64 119.92 3k9m s THR 125 Ca -0.03 1.80 -0.20 0.00 0.31 0.00 0.00 61.69 63.57 3k9m s THR 125 Cb -0.05 -4.16 0.30 0.00 0.01 0.00 0.00 72.50 68.60 3k9m s THR 125 CO -0.04 -0.01 1.02 -2.65 -0.69 0.00 0.00 174.62 172.24 3k9m n PRO 126 N 5.23 -3.20 -3.55 4.92 -0.02 -1.26 -5.05 135.00 132.08 3k9m n PRO 126 Ca 0.10 -1.64 -0.19 0.00 -2.02 0.00 0.00 63.50 59.75 3k9m n PRO 126 Cb 0.47 -1.58 -0.01 0.00 -0.02 0.00 0.00 33.50 32.37 3k9m n PRO 126 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 3k9m s LYS 127 N -5.33 3.15 0.03 -0.52 1.02 -1.26 -4.78 119.74 112.06 3k9m s LYS 127 Ca 0.67 -0.98 -0.30 0.00 0.02 0.00 0.00 55.97 55.37 3k9m s LYS 127 Cb -0.07 -2.82 -0.05 0.00 -0.52 0.00 0.00 37.83 34.37 3k9m s LYS 127 CO 0.52 0.12 1.13 0.00 -0.92 0.00 0.00 175.35 176.19 3k9m s SER 129 N 1.07 1.00 -0.05 0.00 0.15 -1.26 -5.02 113.70 109.59 3k9m s SER 129 Ca 0.56 -1.26 -0.01 0.00 0.70 0.00 0.00 55.95 55.95 3k9m s SER 129 Cb -0.26 0.70 -0.03 0.00 -1.71 0.00 0.00 66.02 64.71 3k9m s SER 129 CO 0.28 -0.29 1.01 0.29 1.20 0.00 0.00 173.24 175.74 3k9m n LYS 130 N 4.56 0.33 -3.67 5.44 4.01 -1.26 -4.65 118.16 122.92 3k9m n LYS 130 Ca 0.08 -0.28 -0.13 0.00 -0.51 0.00 0.00 58.31 57.46 3k9m n LYS 130 Cb 0.47 -1.70 -0.13 0.00 -0.51 0.00 0.00 35.03 33.16 3k9m n LYS 130 CO 0.00 0.00 0.00 0.42 -1.11 0.00 0.00 177.40 176.71 3k9m s ILE 131 N 3.17 -0.38 0.06 -0.18 -1.09 -1.26 -4.72 121.20 116.80 3k9m s ILE 131 Ca 0.09 0.27 -0.30 0.00 -2.23 0.00 0.00 60.65 58.48 3k9m s ILE 131 Cb 0.04 -0.44 -0.09 0.00 -1.58 0.00 0.00 42.46 40.39 3k9m s ILE 131 CO -0.00 0.11 1.93 0.00 -1.23 0.00 0.00 174.94 175.75 3k9m n GLU 133 N 7.06 0.74 -1.30 0.00 -0.58 -0.74 -4.85 120.64 120.97 3k9m n GLU 133 Ca 0.19 0.28 -0.35 0.00 -0.42 0.00 0.00 57.16 56.86 3k9m n GLU 133 Cb 0.40 -1.89 0.09 0.00 -0.57 0.00 0.00 31.44 29.47 3k9m n GLU 133 CO 0.00 0.00 0.00 -2.30 -0.48 0.00 0.00 177.13 174.35 3k9m n PRO 134 N -0.33 0.43 -0.24 3.49 -0.02 -1.26 -3.92 135.00 133.13 3k9m n PRO 134 Ca 0.12 0.20 0.00 0.00 -2.02 0.00 0.00 63.50 61.80 3k9m n PRO 134 Cb 0.46 -2.19 0.00 0.00 -0.02 0.00 0.00 33.50 31.75 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 1.11 0.76 2.68 -1.23 0.00 -1.26 -5.04 105.19 102.21 3k9m n GLY 135 Ca 0.13 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.85 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 -2.23 1.60 0.33 1.61 5.04 -1.25 -4.91 117.35 117.54 3k9m s TYR 136 Ca 0.00 -1.93 -0.28 0.00 -2.44 0.00 0.00 57.07 52.43 3k9m s TYR 136 Cb 0.00 -1.63 -0.09 0.00 0.35 0.00 0.00 41.96 40.59 3k9m s TYR 136 CO 0.00 -0.84 1.15 -1.12 -1.34 0.00 0.00 175.55 173.40 3k9m s SER 137 N 1.12 6.92 0.00 4.32 0.01 -1.26 -4.56 113.70 120.25 3k9m s SER 137 Ca 0.14 2.34 0.00 0.00 1.31 0.00 0.00 55.95 59.74 3k9m s SER 137 Cb -0.21 -2.62 0.00 0.00 0.21 0.00 0.00 66.02 63.40 3k9m s SER 137 CO -0.13 -0.40 0.00 -0.81 0.41 0.00 0.00 173.24 172.31 3k9m n PRO 138 N 0.68 3.21 -4.38 12.44 -0.04 -1.26 -5.09 135.00 140.57 3k9m n PRO 138 Ca 0.01 0.00 -0.20 0.00 -0.04 0.00 0.00 63.50 63.27 3k9m n PRO 138 Cb 0.45 0.00 -0.10 0.00 -0.04 0.00 0.00 33.50 33.81 3k9m n PRO 138 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 3k9m s THR 139 N 1.70 1.91 0.08 0.52 -4.23 -1.26 -4.86 115.64 109.50 3k9m s THR 139 Ca 0.00 -2.26 -0.37 0.00 -1.18 0.00 0.00 61.69 57.89 3k9m s THR 139 Cb 0.00 -2.11 -0.19 0.00 1.34 0.00 0.00 72.50 71.54 3k9m s THR 139 CO 0.00 -0.55 1.57 0.22 -0.54 0.00 0.00 174.62 175.32 3k9m h TYR 140 N 2.49 -1.35 -0.17 3.99 3.20 -1.94 1.89 116.97 125.08 3k9m h TYR 140 Ca -0.39 -0.00 0.02 0.00 3.14 0.00 0.00 58.73 61.50 3k9m h TYR 140 Cb 1.23 0.50 -0.01 0.00 1.54 0.00 0.00 36.73 39.99 3k9m h TYR 140 CO 0.74 -0.72 0.11 0.87 -1.64 0.00 0.00 178.16 177.52 3k9m h LYS 141 N -1.14 0.15 0.00 1.82 6.56 -1.98 0.21 116.57 122.19 3k9m h LYS 141 Ca -0.09 -0.01 -0.02 0.00 -1.06 0.00 0.00 60.65 59.47 3k9m h LYS 141 Cb 0.94 -0.03 -0.00 0.00 -0.57 0.00 0.00 32.23 32.56 3k9m h LYS 141 CO 0.04 0.10 -0.11 1.96 -2.06 0.00 0.00 179.45 179.38 3k9m h GLN 142 N 0.16 0.00 -0.38 3.15 4.20 -1.01 -3.26 115.11 117.96 3k9m h GLN 142 Ca 0.07 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.78 3k9m h GLN 142 Cb 0.08 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.86 3k9m h GLN 142 CO -0.01 0.11 0.00 -3.47 -0.67 0.00 0.00 178.83 174.79 3k9m n ASP 143 N -3.21 3.37 -4.75 1.46 4.64 0.61 -4.82 116.55 113.85 3k9m n ASP 143 Ca 0.01 -1.98 -0.41 0.00 -1.38 0.00 0.00 54.79 51.04 3k9m n ASP 143 Cb 0.42 -0.24 -0.04 0.00 -1.04 0.00 0.00 41.12 40.22 3k9m n ASP 143 CO 0.00 0.00 0.00 -0.75 -0.82 0.00 0.00 177.20 175.63 3k9m s LYS 144 N -1.51 4.63 -0.33 -0.67 2.47 -1.06 -4.32 119.74 118.95 3k9m s LYS 144 Ca 0.39 1.77 0.01 0.00 -1.56 0.00 0.00 55.97 56.57 3k9m s LYS 144 Cb 0.23 -3.22 0.08 0.00 -1.46 0.00 0.00 37.83 33.45 3k9m s LYS 144 CO 0.31 0.16 0.03 -1.01 0.16 0.00 0.00 175.35 175.01 3k9m s HIS 145 N -0.80 3.50 0.11 4.03 3.76 0.25 -4.87 115.29 121.27 3k9m s HIS 145 Ca 0.46 -2.46 -0.11 0.00 -0.15 0.00 0.00 55.06 52.81 3k9m s HIS 145 Cb -0.31 -2.56 -0.06 0.00 1.11 0.00 0.00 32.58 30.76 3k9m s HIS 145 CO 0.38 -0.90 0.45 0.71 -0.85 0.00 0.00 174.74 174.53 3k9m s TYR 146 N 1.08 3.57 0.36 1.40 1.51 -1.26 -3.00 117.35 121.02 3k9m s TYR 146 Ca 0.02 0.85 -0.04 0.00 -1.01 0.00 0.00 57.07 56.89 3k9m s TYR 146 Cb -0.20 -2.21 -0.04 0.00 -0.11 0.00 0.00 41.96 39.39 3k9m s TYR 146 CO -0.05 0.47 0.63 0.20 -1.11 0.00 0.00 175.55 175.70 3k9m s GLY 147 N -1.82 1.64 -0.16 0.71 0.00 -0.72 -0.85 107.32 106.12 3k9m s GLY 147 Ca 0.36 -0.60 -0.03 0.00 0.00 0.00 0.00 44.72 44.45 3k9m s GLY 147 CO 0.19 -0.48 0.18 2.98 0.00 0.00 0.00 173.10 175.96 3k9m n TYR 148 N -1.52 0.81 -3.63 1.90 4.19 -0.19 -4.28 117.16 114.44 3k9m n TYR 148 Ca -0.02 0.18 -0.15 0.00 3.31 0.00 0.00 57.90 61.22 3k9m n TYR 148 Cb 0.55 -1.11 -0.07 0.00 0.49 0.00 0.00 39.34 39.20 3k9m n TYR 148 CO 0.00 0.00 0.00 0.54 0.91 0.00 0.00 176.86 178.31 3k9m s ASN 149 N -6.80 -0.54 0.41 2.98 4.22 -1.19 -4.99 114.94 109.02 3k9m s ASN 149 Ca -0.26 0.74 0.07 0.00 -2.14 0.00 0.00 52.86 51.28 3k9m s ASN 149 Cb 0.07 0.73 -0.06 0.00 1.28 0.00 0.00 41.25 43.27 3k9m s ASN 149 CO 0.72 -0.42 0.13 -0.94 -2.04 0.00 0.00 177.10 174.55 3k9m s SER 150 N -0.67 4.30 -0.21 3.54 1.04 -1.26 -0.72 113.70 119.71 3k9m s SER 150 Ca -0.08 -1.13 -0.32 0.00 0.48 0.00 0.00 55.95 54.91 3k9m s SER 150 Cb -0.03 -0.47 0.15 0.00 0.10 0.00 0.00 66.02 65.77 3k9m s SER 150 CO 0.05 -0.50 1.20 -0.72 0.98 0.00 0.00 173.24 174.26 3k9m s TYR 151 N -2.61 -0.16 0.13 5.02 -0.85 -0.75 -4.90 117.35 113.23 3k9m s TYR 151 Ca 0.39 0.20 -0.30 0.00 -0.52 0.00 0.00 57.07 56.84 3k9m s TYR 151 Cb 0.05 0.49 -0.07 0.00 0.38 0.00 0.00 41.96 42.81 3k9m s TYR 151 CO 0.21 -0.19 1.21 -1.12 -1.52 0.00 0.00 175.55 174.15 3k9m s SER 152 N -1.59 7.07 0.81 -0.18 0.01 -1.26 -2.05 113.70 116.51 3k9m s SER 152 Ca 0.07 2.14 -0.12 0.00 1.31 0.00 0.00 55.95 59.35 3k9m s SER 152 Cb -0.01 -2.59 0.08 0.00 0.21 0.00 0.00 66.02 63.70 3k9m s SER 152 CO -0.04 -0.43 1.14 -0.69 0.41 0.00 0.00 173.24 173.63 3k9m s VAL 153 N 0.51 2.51 0.34 3.43 1.01 -0.51 -4.94 120.40 122.75 3k9m s VAL 153 Ca 0.56 0.17 0.07 0.00 0.00 0.00 0.00 61.98 62.78 3k9m s VAL 153 Cb -0.31 -3.07 -0.02 0.00 0.00 0.00 0.00 36.38 32.98 3k9m s VAL 153 CO 0.33 -0.22 0.38 -0.44 0.00 0.00 0.00 175.10 175.15 3k9m s SER 154 N -4.30 5.58 -1.15 3.32 0.01 -1.26 -4.62 113.70 111.28 3k9m s SER 154 Ca 0.61 -0.37 -0.20 0.00 1.31 0.00 0.00 55.95 57.30 3k9m s SER 154 Cb -0.12 -1.07 -0.05 0.00 0.21 0.00 0.00 66.02 64.99 3k9m s SER 154 CO 0.51 -0.40 1.93 -3.20 0.41 0.00 0.00 173.24 172.49 3k9m n ASN 155 N -1.50 3.51 -3.38 2.44 2.85 -1.26 -4.59 115.26 113.33 3k9m n ASN 155 Ca -0.01 -2.77 0.02 0.00 -0.11 0.00 0.00 54.58 51.71 3k9m n ASN 155 Cb 0.59 -1.56 -0.03 0.00 1.24 0.00 0.00 39.78 40.02 3k9m n ASN 155 CO 0.00 0.00 0.00 -0.55 -2.11 0.00 0.00 177.26 174.60 3k9m s SER 156 N 5.01 -1.18 0.24 1.20 0.15 -1.26 -5.06 113.70 112.81 3k9m s SER 156 Ca 0.59 1.14 -0.04 0.00 0.70 0.00 0.00 55.95 58.33 3k9m s SER 156 Cb 0.07 2.15 0.39 0.00 -1.71 0.00 0.00 66.02 66.92 3k9m s SER 156 CO 0.08 -0.22 1.81 1.05 1.20 0.00 0.00 173.24 177.16 3k9m h GLU 157 N 7.97 0.79 -0.33 5.44 4.11 -1.94 0.25 114.58 130.87 3k9m h GLU 157 Ca -0.20 -0.05 -0.01 0.00 0.07 0.00 0.00 59.36 59.17 3k9m h GLU 157 Cb 1.13 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 30.19 3k9m h GLU 157 CO 0.16 0.52 0.15 1.57 0.07 0.00 0.00 179.01 181.48 3k9m h LYS 158 N 0.81 0.48 -0.88 1.06 2.10 -1.97 1.80 116.57 119.98 3k9m h LYS 158 Ca 0.40 -0.08 0.11 0.00 -2.00 0.00 0.00 60.65 59.08 3k9m h LYS 158 Cb 0.34 -0.08 -0.08 0.00 -0.90 0.00 0.00 32.23 31.51 3k9m h LYS 158 CO -0.24 0.45 0.51 -0.44 -2.00 0.00 0.00 179.45 177.73 3k9m h ASP 159 N 0.39 0.71 0.20 7.07 5.19 -1.48 0.17 116.42 128.68 3k9m h ASP 159 Ca 0.11 0.06 -0.24 0.00 -0.62 0.00 0.00 57.03 56.33 3k9m h ASP 159 Cb 0.14 -0.08 0.01 0.00 0.18 0.00 0.00 39.33 39.58 3k9m h ASP 159 CO -0.01 0.38 -0.99 0.40 -3.12 0.00 0.00 179.24 175.90 3k9m h ILE 160 N 0.81 1.35 -0.33 0.35 2.04 -0.00 -2.26 117.51 119.47 3k9m h ILE 160 Ca 0.44 -2.37 -0.05 0.00 1.00 0.00 0.00 64.86 63.88 3k9m h ILE 160 Cb 0.45 2.41 -0.01 0.00 -0.74 0.00 0.00 36.82 38.93 3k9m h ILE 160 CO -0.27 0.72 0.01 0.24 0.00 0.00 0.00 178.15 178.85 3k9m h MET 161 N 0.30 0.58 -0.77 2.37 2.86 0.33 -2.54 114.93 118.06 3k9m h MET 161 Ca -0.10 -0.18 -0.02 0.00 -2.06 0.00 0.00 59.70 57.34 3k9m h MET 161 Cb 1.63 -0.06 -0.04 0.00 0.06 0.00 0.00 31.60 33.20 3k9m h MET 161 CO 0.18 0.69 0.40 0.00 1.06 0.00 0.00 176.91 179.24 3k9m h ALA 162 N 0.86 1.25 -0.63 6.32 0.00 -0.71 -1.77 119.26 124.58 3k9m h ALA 162 Ca 0.10 -0.13 0.04 0.00 0.00 0.00 0.00 54.91 54.91 3k9m h ALA 162 Cb 0.42 -0.31 -0.04 0.00 0.00 0.00 0.00 17.79 17.86 3k9m h ALA 162 CO 0.01 0.59 0.37 1.49 0.00 0.00 0.00 179.25 181.72 3k9m h GLU 163 N 1.09 0.69 0.20 0.00 4.57 -1.29 -1.27 114.58 118.58 3k9m h GLU 163 Ca 0.27 -0.04 -0.01 0.00 -1.18 0.00 0.00 59.36 58.40 3k9m h GLU 163 Cb 0.07 -0.16 0.00 0.00 -0.16 0.00 0.00 28.75 28.50 3k9m h GLU 163 CO -0.04 0.46 -0.10 0.82 -1.18 0.00 0.00 179.01 178.97 3k9m h ILE 164 N 0.72 0.75 -0.13 2.32 2.04 -1.24 -1.76 117.51 120.21 3k9m h ILE 164 Ca 0.26 -1.00 0.05 0.00 1.00 0.00 0.00 64.86 65.17 3k9m h ILE 164 Cb 0.08 1.24 -0.06 0.00 -0.74 0.00 0.00 36.82 37.34 3k9m h ILE 164 CO -0.13 0.18 -0.23 0.22 0.00 0.00 0.00 178.15 178.20 3k9m h TYR 165 N -0.87 -0.61 -0.05 1.37 3.20 -1.34 0.50 116.97 119.18 3k9m h TYR 165 Ca -0.03 0.03 -0.01 0.00 3.14 0.00 0.00 58.73 61.86 3k9m h TYR 165 Cb 0.51 0.29 -0.00 0.00 1.54 0.00 0.00 36.73 39.07 3k9m h TYR 165 CO 0.07 -0.31 -0.01 0.87 -1.64 0.00 0.00 178.16 177.14 3k9m h LYS 166 N -0.29 0.09 -0.10 1.82 1.79 -1.34 -3.40 116.57 115.15 3k9m h LYS 166 Ca 0.10 -0.03 0.00 0.00 -2.18 0.00 0.00 60.65 58.54 3k9m h LYS 166 Cb 0.44 -0.01 0.00 0.00 -1.58 0.00 0.00 32.23 31.08 3k9m h LYS 166 CO -0.30 0.42 0.00 0.09 -1.08 0.00 0.00 179.45 178.58 3k9m n ASN 167 N -4.85 2.02 0.00 0.86 5.03 -0.66 -5.10 115.26 112.56 3k9m n ASN 167 Ca -0.07 -1.69 0.00 0.00 0.87 0.00 0.00 54.58 53.69 3k9m n ASN 167 Cb 0.21 -0.06 0.00 0.00 -1.02 0.00 0.00 39.78 38.91 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 0.07 0.59 3.16 7.41 0.00 0.16 -4.76 105.19 111.82 3k9m n GLY 168 Ca 0.04 -2.01 -0.35 0.00 0.00 0.00 0.00 46.02 43.70 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 -0.43 -3.98 1.61 -0.02 -1.26 -4.19 135.00 127.38 3k9m n PRO 169 Ca 0.00 -0.11 -0.09 0.00 -2.02 0.00 0.00 63.50 61.28 3k9m n PRO 169 Cb 0.00 -1.36 -0.08 0.00 -0.02 0.00 0.00 33.50 32.04 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 -2.14 0.11 -0.00 -1.45 -7.23 -1.08 -4.88 120.40 103.72 3k9m s VAL 170 Ca 0.46 -1.48 -0.02 0.00 -1.81 0.00 0.00 61.98 59.13 3k9m s VAL 170 Cb -0.10 -1.73 -0.04 0.00 0.56 0.00 0.00 36.38 35.07 3k9m s VAL 170 CO 0.71 -0.48 0.16 -0.70 -0.31 0.00 0.00 175.10 174.48 3k9m s GLU 171 N -3.95 3.34 0.25 4.82 2.12 -1.00 -0.16 118.70 124.12 3k9m s GLU 171 Ca 0.15 -0.37 -0.09 0.00 0.36 0.00 0.00 54.97 55.02 3k9m s GLU 171 Cb 0.05 -3.03 -0.01 0.00 0.26 0.00 0.00 34.13 31.39 3k9m s GLU 171 CO -0.03 0.67 0.39 0.20 -0.54 0.00 0.00 175.26 175.95 3k9m s GLY 172 N -1.92 0.87 0.02 -1.50 0.00 -0.82 -1.66 107.32 102.31 3k9m s GLY 172 Ca 0.26 -1.15 0.02 0.00 0.00 0.00 0.00 44.72 43.85 3k9m s GLY 172 CO 0.18 -0.86 -0.07 0.00 0.00 0.00 0.00 173.10 172.36 3k9m s ALA 173 N -3.93 0.50 0.31 3.20 0.00 -1.25 -0.14 121.76 120.45 3k9m s ALA 173 Ca 0.27 -0.52 0.03 0.00 0.00 0.00 0.00 51.96 51.74 3k9m s ALA 173 Cb 0.01 -0.02 -0.04 0.00 0.00 0.00 0.00 23.12 23.07 3k9m s ALA 173 CO 0.11 0.03 0.14 -0.59 0.00 0.00 0.00 175.76 175.45 3k9m s PHE 174 N -0.82 1.63 -0.21 0.00 -0.71 -0.53 -3.80 117.98 113.54 3k9m s PHE 174 Ca -0.05 -1.30 -0.13 0.00 -1.04 0.00 0.00 56.93 54.41 3k9m s PHE 174 Cb -0.06 -0.92 -0.04 0.00 -1.21 0.00 0.00 43.02 40.78 3k9m s PHE 174 CO 0.00 -0.43 0.27 -1.12 -1.34 0.00 0.00 175.22 172.60 3k9m s SER 175 N -3.40 6.29 -0.21 1.98 0.01 0.06 -1.37 113.70 117.08 3k9m s SER 175 Ca 0.35 0.33 -0.14 0.00 1.31 0.00 0.00 55.95 57.80 3k9m s SER 175 Cb 0.05 -2.17 -0.04 0.00 0.21 0.00 0.00 66.02 64.08 3k9m s SER 175 CO 0.16 0.02 0.33 0.68 0.41 0.00 0.00 173.24 174.85 3k9m s VAL 176 N 1.04 5.25 0.30 3.43 -7.23 -1.05 -4.87 120.40 117.27 3k9m s VAL 176 Ca 0.13 0.57 0.07 0.00 -1.81 0.00 0.00 61.98 60.95 3k9m s VAL 176 Cb -0.14 -3.67 -0.03 0.00 0.56 0.00 0.00 36.38 33.11 3k9m s VAL 176 CO 0.05 0.29 0.31 -0.31 -0.31 0.00 0.00 175.10 175.13 3k9m s TYR 177 N 1.17 3.07 0.57 2.82 1.51 -1.26 -0.13 117.35 125.09 3k9m s TYR 177 Ca 0.16 -0.20 0.26 0.00 -1.01 0.00 0.00 57.07 56.28 3k9m s TYR 177 Cb -0.14 -1.69 1.61 0.00 -0.11 0.00 0.00 41.96 41.62 3k9m s TYR 177 CO 0.07 0.27 2.16 0.66 -1.11 0.00 0.00 175.55 177.61 3k9m h SER 178 N 1.24 0.00 0.70 2.29 4.64 -1.67 -2.13 113.55 118.62 3k9m h SER 178 Ca -0.47 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 60.82 3k9m h SER 178 Cb 1.25 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.33 3k9m h SER 178 CO 0.58 0.00 -0.17 -2.24 -0.87 0.00 0.00 176.83 174.13 3k9m h ASP 179 N 0.00 0.00 -0.98 4.97 -0.00 -1.89 -2.51 116.42 116.00 3k9m h ASP 179 Ca 0.04 0.00 0.08 0.00 -0.00 0.00 0.00 57.03 57.15 3k9m h ASP 179 Cb 0.22 0.00 -0.07 0.00 -0.00 0.00 0.00 39.33 39.48 3k9m h ASP 179 CO -0.00 0.17 0.62 0.15 -0.00 0.00 0.00 179.24 180.18 3k9m h PHE 180 N 0.00 1.15 0.00 4.15 3.57 -1.73 -1.83 116.94 122.25 3k9m h PHE 180 Ca -0.00 0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.51 3k9m h PHE 180 Cb 0.56 -0.37 -0.00 0.00 2.79 0.00 0.00 35.95 38.93 3k9m h PHE 180 CO 0.00 0.57 -0.10 -0.07 -2.23 0.00 0.00 178.31 176.47 3k9m h LEU 181 N 1.10 0.00 0.00 0.59 3.38 -1.61 -0.63 115.31 118.14 3k9m h LEU 181 Ca 0.44 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.41 3k9m h LEU 181 Cb 0.23 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.98 3k9m h LEU 181 CO -0.19 0.10 0.00 0.18 0.09 0.00 0.00 178.44 178.62 3k9m n LEU 182 N -3.75 0.00 -4.72 1.67 4.32 -0.69 -4.92 117.00 108.90 3k9m n LEU 182 Ca -0.02 0.17 -0.39 0.00 -0.02 0.00 0.00 56.01 55.75 3k9m n LEU 182 Cb 0.21 -0.17 0.03 0.00 -1.62 0.00 0.00 43.42 41.87 3k9m n LEU 182 CO 0.30 -0.02 0.92 0.00 -1.22 0.00 0.00 177.39 177.37 3k9m n TYR 183 N -1.17 2.16 0.00 -1.77 9.36 -0.25 -4.93 117.16 120.56 3k9m n TYR 183 Ca 0.16 0.46 0.00 0.00 3.32 0.00 0.00 57.90 61.84 3k9m n TYR 183 Cb 0.17 -2.36 0.00 0.00 -0.63 0.00 0.00 39.34 36.52 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 -0.54 0.00 -3.83 2.98 4.76 -1.26 -3.94 118.16 116.33 3k9m n LYS 184 Ca 0.09 0.00 -0.07 0.00 -2.87 0.00 0.00 58.31 55.46 3k9m n LYS 184 Cb 0.43 -0.40 0.00 0.00 -1.84 0.00 0.00 35.03 33.22 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 -2.47 -0.10 0.94 4.39 1.04 -1.26 -3.54 113.70 112.70 3k9m s SER 185 Ca 0.00 -0.83 0.00 0.00 0.48 0.00 0.00 55.95 55.60 3k9m s SER 185 Cb 0.00 0.72 0.00 0.00 0.10 0.00 0.00 66.02 66.84 3k9m s SER 185 CO 0.00 -1.40 0.00 0.61 0.98 0.00 0.00 173.24 173.43 3k9m n GLY 186 N -0.52 -0.98 3.67 7.32 0.00 -1.26 -4.62 105.19 108.80 3k9m n GLY 186 Ca -0.06 -0.99 -0.41 0.00 0.00 0.00 0.00 46.02 44.56 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 -0.16 4.90 0.79 1.61 1.01 -1.26 -4.35 120.40 122.95 3k9m s VAL 187 Ca 0.00 1.58 -0.11 0.00 0.00 0.00 0.00 61.98 63.45 3k9m s VAL 187 Cb 0.00 -4.11 0.07 0.00 0.00 0.00 0.00 36.38 32.33 3k9m s VAL 187 CO 0.00 0.05 1.09 -0.47 0.00 0.00 0.00 175.10 175.77 3k9m s TYR 188 N 2.03 2.67 -0.29 5.22 5.04 -1.00 -4.89 117.35 126.12 3k9m s TYR 188 Ca 0.37 1.37 -0.20 0.00 -2.44 0.00 0.00 57.07 56.18 3k9m s TYR 188 Cb -0.17 -3.06 0.17 0.00 0.35 0.00 0.00 41.96 39.26 3k9m s TYR 188 CO 0.13 -1.83 1.17 -1.14 -1.34 0.00 0.00 175.55 172.54 3k9m s GLN 189 N -4.99 0.24 0.08 4.97 0.74 -1.26 -2.61 119.66 116.83 3k9m s GLN 189 Ca 0.61 0.35 -0.20 0.00 0.05 0.00 0.00 55.36 56.17 3k9m s GLN 189 Cb -0.16 0.08 -0.07 0.00 1.10 0.00 0.00 33.01 33.96 3k9m s GLN 189 CO 0.56 -0.04 0.61 -1.58 -0.55 0.00 0.00 175.29 174.28 3k9m s HIS 190 N 0.77 3.82 0.00 1.67 5.65 -1.26 -4.94 115.29 121.00 3k9m s HIS 190 Ca -0.03 1.33 0.00 0.00 0.25 0.00 0.00 55.06 56.61 3k9m s HIS 190 Cb -0.04 -2.55 0.00 0.00 -1.18 0.00 0.00 32.58 28.81 3k9m s HIS 190 CO -0.12 0.57 0.00 0.28 -0.65 0.00 0.00 174.74 174.82 3k9m n VAL 191 N 1.75 0.00 -3.30 0.89 0.31 -1.26 -5.13 118.33 111.58 3k9m n VAL 191 Ca -0.09 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.24 3k9m n VAL 191 Cb 0.50 -0.48 0.00 0.00 -0.91 0.00 0.00 33.84 32.96 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 -2.36 0.00 0.00 2.52 -2.24 -1.26 -5.18 114.28 105.76 3k9m n THR 192 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 3k9m n THR 192 Cb 0.04 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.27 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 2.85 3.82 3.38 0.00 -1.26 -4.36 105.19 109.62 3k9m n GLY 193 Ca 0.00 -2.00 -0.37 0.00 0.00 0.00 0.00 46.02 43.64 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 -2.75 4.20 -0.16 1.61 2.12 -1.26 -4.78 118.70 117.69 3k9m s GLU 194 Ca 0.00 0.75 -0.29 0.00 0.36 0.00 0.00 54.97 55.79 3k9m s GLU 194 Cb 0.00 -3.10 -0.05 0.00 0.26 0.00 0.00 34.13 31.24 3k9m s GLU 194 CO 0.00 0.55 1.98 1.41 -0.54 0.00 0.00 175.26 178.66 3k9m s MET 195 N -1.48 3.58 -0.06 4.30 -2.45 -1.26 -2.12 119.30 119.80 3k9m s MET 195 Ca 0.34 2.06 -0.19 0.00 -1.25 0.00 0.00 55.69 56.65 3k9m s MET 195 Cb -0.18 -4.22 -0.30 0.00 1.25 0.00 0.00 34.83 31.37 3k9m s MET 195 CO 0.20 -1.59 0.78 0.52 1.05 0.00 0.00 175.02 175.98 3k9m h MET 196 N 12.67 0.31 0.00 4.11 0.00 -0.85 -3.49 114.93 127.68 3k9m h MET 196 Ca -0.41 -0.53 0.00 0.00 0.00 0.00 0.00 59.70 58.76 3k9m h MET 196 Cb 1.21 0.20 0.00 0.00 0.00 0.00 0.00 31.60 33.01 3k9m h MET 196 CO 0.97 1.25 0.00 0.41 0.00 0.00 0.00 176.91 179.54 3k9m n GLY 197 N 1.70 3.01 3.77 8.32 0.00 -1.22 -5.05 105.19 115.72 3k9m n GLY 197 Ca -0.19 -1.28 -0.38 0.00 0.00 0.00 0.00 46.02 44.17 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 2.91 0.03 -0.02 0.00 -1.26 -2.53 107.32 106.45 3k9m s GLY 198 Ca 0.00 0.68 0.02 0.00 0.00 0.00 0.00 44.72 45.42 3k9m s GLY 198 CO 0.00 1.19 -0.06 -1.58 0.00 0.00 0.00 173.10 172.64 3k9m s HIS 199 N -1.43 0.55 -0.06 1.90 5.04 -0.47 -4.95 115.29 115.87 3k9m s HIS 199 Ca 0.49 -0.42 0.05 0.00 -1.54 0.00 0.00 55.06 53.64 3k9m s HIS 199 Cb -0.24 -0.34 -0.02 0.00 0.04 0.00 0.00 32.58 32.02 3k9m s HIS 199 CO 0.31 -0.08 -0.20 0.00 -2.34 0.00 0.00 174.74 172.42 3k9m s ALA 200 N -1.13 2.40 0.32 1.58 0.00 -1.26 -1.46 121.76 122.21 3k9m s ALA 200 Ca -0.09 -1.01 0.06 0.00 0.00 0.00 0.00 51.96 50.92 3k9m s ALA 200 Cb -0.08 -0.83 -0.03 0.00 0.00 0.00 0.00 23.12 22.18 3k9m s ALA 200 CO 0.00 0.46 0.25 0.96 0.00 0.00 0.00 175.76 177.43 3k9m s ILE 201 N -0.36 0.05 -0.30 0.00 -5.25 0.80 -4.43 121.20 111.71 3k9m s ILE 201 Ca 0.03 -2.00 -0.06 0.00 -0.99 0.00 0.00 60.65 57.62 3k9m s ILE 201 Cb -0.12 -2.49 0.01 0.00 2.95 0.00 0.00 42.46 42.81 3k9m s ILE 201 CO 0.02 0.00 0.07 -0.60 -1.79 0.00 0.00 174.94 172.64 3k9m s ARG 202 N -3.56 3.03 -0.35 0.37 3.52 -1.14 -1.94 118.95 118.88 3k9m s ARG 202 Ca 0.39 -0.89 -0.22 0.00 -0.13 0.00 0.00 55.73 54.88 3k9m s ARG 202 Cb 0.03 -3.35 0.01 0.00 -1.56 0.00 0.00 34.95 30.07 3k9m s ARG 202 CO 0.25 -0.46 0.74 0.42 -0.81 0.00 0.00 175.30 175.44 3k9m s ILE 203 N 1.48 4.79 -0.17 4.11 1.01 0.78 -1.25 121.20 131.95 3k9m s ILE 203 Ca 0.02 0.86 0.17 0.00 0.00 0.00 0.00 60.65 61.70 3k9m s ILE 203 Cb -0.17 -4.16 0.41 0.00 0.01 0.00 0.00 42.46 38.55 3k9m s ILE 203 CO 0.02 -0.37 1.29 0.00 0.00 0.00 0.00 174.94 175.88 3k9m n LEU 204 N 6.28 3.12 0.00 2.97 -0.00 -0.70 -2.62 117.00 126.06 3k9m n LEU 204 Ca 0.02 -3.16 0.00 0.00 -0.00 0.00 0.00 56.01 52.87 3k9m n LEU 204 Cb 0.48 -0.50 0.00 0.00 -0.00 0.00 0.00 43.42 43.41 3k9m n LEU 204 CO 0.52 0.77 0.00 0.61 -0.00 0.00 0.00 177.39 179.29 3k9m n GLY 205 N -1.03 -0.49 3.51 1.47 0.00 -1.24 -2.38 105.19 105.03 3k9m n GLY 205 Ca 0.20 -1.22 -0.09 0.00 0.00 0.00 0.00 46.02 44.90 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 0.09 0.00 1.61 -2.14 -0.53 -2.65 118.94 112.34 3k9m s TRP 206 Ca 0.00 -0.45 0.00 0.00 2.66 0.00 0.00 56.10 58.31 3k9m s TRP 206 Cb 0.00 0.27 0.00 0.00 -3.10 0.00 0.00 33.47 30.64 3k9m s TRP 206 CO 0.00 -0.91 0.00 0.41 -2.66 0.00 0.00 176.95 173.79 3k9m n GLY 207 N -0.33 2.11 2.78 3.67 0.00 -0.85 -1.44 105.19 111.14 3k9m n GLY 207 Ca -0.07 -0.79 -0.17 0.00 0.00 0.00 0.00 46.02 44.99 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 -2.72 -0.37 0.06 1.61 1.01 -1.26 -1.85 120.40 116.88 3k9m s VAL 208 Ca 0.00 -0.09 0.08 0.00 0.00 0.00 0.00 61.98 61.97 3k9m s VAL 208 Cb 0.00 -0.68 -0.03 0.00 0.00 0.00 0.00 36.38 35.67 3k9m s VAL 208 CO 0.00 -0.18 -0.22 -0.70 0.00 0.00 0.00 175.10 174.00 3k9m s GLU 209 N 2.36 1.40 -1.47 2.72 2.12 -0.56 -4.81 118.70 120.46 3k9m s GLU 209 Ca 0.07 -1.03 -0.05 0.00 0.36 0.00 0.00 54.97 54.33 3k9m s GLU 209 Cb -0.15 -1.57 0.02 0.00 0.26 0.00 0.00 34.13 32.68 3k9m s GLU 209 CO -0.12 0.40 0.46 0.09 -0.54 0.00 0.00 175.26 175.54 3k9m n ASN 210 N 1.65 -5.29 0.00 -1.70 3.02 -1.26 0.75 115.26 112.42 3k9m n ASN 210 Ca -0.18 -0.24 0.00 0.00 -0.03 0.00 0.00 54.58 54.13 3k9m n ASN 210 Cb 0.53 -4.32 0.00 0.00 -0.61 0.00 0.00 39.78 35.38 3k9m n ASN 210 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3k9m n GLY 211 N -1.32 2.36 3.82 7.41 0.00 -1.26 -5.00 105.19 111.20 3k9m n GLY 211 Ca -0.11 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.54 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 -0.16 5.13 -0.01 2.61 2.01 0.23 -5.05 115.64 120.40 3k9m s THR 212 Ca 0.00 0.74 -0.30 0.00 0.31 0.00 0.00 61.69 62.44 3k9m s THR 212 Cb 0.00 -3.68 -0.03 0.00 0.01 0.00 0.00 72.50 68.80 3k9m s THR 212 CO 0.00 0.54 1.06 -2.16 -0.69 0.00 0.00 174.62 173.37 3k9m s PRO 213 N -0.72 4.48 0.22 4.92 0.04 -1.26 -1.50 135.00 141.18 3k9m s PRO 213 Ca 0.22 1.52 0.01 0.00 0.04 0.00 0.00 61.00 62.80 3k9m s PRO 213 Cb -0.16 -3.46 -0.05 0.00 0.04 0.00 0.00 34.50 30.87 3k9m s PRO 213 CO 0.11 -0.20 0.06 1.52 0.04 0.00 0.00 177.00 178.53 3k9m s TYR 214 N 1.38 1.39 -0.16 0.56 -0.85 -0.77 -0.66 117.35 118.24 3k9m s TYR 214 Ca 0.53 -1.13 -0.04 0.00 -0.52 0.00 0.00 57.07 55.91 3k9m s TYR 214 Cb -0.23 -0.80 -0.03 0.00 0.38 0.00 0.00 41.96 41.28 3k9m s TYR 214 CO 0.25 -0.30 -0.02 -1.58 -1.52 0.00 0.00 175.55 172.38 3k9m s TRP 215 N -3.74 3.07 -0.01 -3.49 0.52 0.20 -2.00 118.94 113.49 3k9m s TRP 215 Ca 0.33 -0.22 -0.29 0.00 0.02 0.00 0.00 56.10 55.93 3k9m s TRP 215 Cb 0.07 -1.98 -0.03 0.00 -1.15 0.00 0.00 33.47 30.38 3k9m s TRP 215 CO 0.10 0.00 0.95 -1.17 0.02 0.00 0.00 176.95 176.85 3k9m s LEU 216 N 0.36 4.36 0.02 2.99 2.96 -1.08 -3.03 118.68 125.25 3k9m s LEU 216 Ca -0.03 1.61 0.01 0.00 -0.22 0.00 0.00 54.13 55.50 3k9m s LEU 216 Cb -0.14 -3.52 -0.01 0.00 0.50 0.00 0.00 46.19 43.02 3k9m s LEU 216 CO 0.02 -0.25 -0.04 -0.69 -1.32 0.00 0.00 176.35 174.08 3k9m s VAL 217 N 1.01 0.21 -0.18 1.68 1.01 0.11 -1.72 120.40 122.52 3k9m s VAL 217 Ca 0.50 -0.64 -0.07 0.00 0.00 0.00 0.00 61.98 61.77 3k9m s VAL 217 Cb -0.21 -0.28 -0.04 0.00 0.00 0.00 0.00 36.38 35.85 3k9m s VAL 217 CO 0.27 -0.28 0.06 0.00 0.00 0.00 0.00 175.10 175.14 3k9m s ALA 218 N -0.93 3.40 0.66 5.51 0.00 -0.38 -0.37 121.76 129.65 3k9m s ALA 218 Ca -0.09 -0.74 -0.04 0.00 0.00 0.00 0.00 51.96 51.09 3k9m s ALA 218 Cb -0.07 -1.90 0.06 0.00 0.00 0.00 0.00 23.12 21.22 3k9m s ALA 218 CO -0.00 0.19 0.94 1.21 0.00 0.00 0.00 175.76 178.10 3k9m s ASN 219 N 0.33 4.87 -0.46 0.00 3.84 -1.06 -2.88 114.94 119.58 3k9m s ASN 219 Ca 0.03 0.20 0.04 0.00 0.21 0.00 0.00 52.86 53.34 3k9m s ASN 219 Cb -0.12 -0.89 0.44 0.00 -0.55 0.00 0.00 41.25 40.12 3k9m s ASN 219 CO 0.00 -1.50 1.41 -1.54 -2.79 0.00 0.00 177.10 172.68 3k9m n SER 220 N -2.74 5.64 -0.09 -4.21 3.41 -1.26 -4.56 113.62 109.81 3k9m n SER 220 Ca 0.09 -3.76 0.07 0.00 -0.26 0.00 0.00 58.87 55.01 3k9m n SER 220 Cb 0.60 -0.56 0.09 0.00 -0.26 0.00 0.00 64.21 64.08 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 -0.66 0.00 0.00 7.33 8.01 -0.97 -0.91 117.44 130.23 3k9m n TRP 221 Ca 0.47 -0.78 0.00 0.00 -1.31 0.00 0.00 57.50 55.88 3k9m n TRP 221 Cb 0.75 -0.12 0.00 0.00 -2.01 0.00 0.00 31.31 29.93 3k9m n TRP 221 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.69 176.77 3k9m n ASN 222 N -1.07 0.00 -0.58 -0.99 3.02 -1.22 -4.74 115.26 109.68 3k9m n ASN 222 Ca 0.11 0.00 0.12 0.00 -0.03 0.00 0.00 54.58 54.78 3k9m n ASN 222 Cb 0.56 0.00 0.42 0.00 -0.61 0.00 0.00 39.78 40.14 3k9m n ASN 222 CO 0.00 0.00 0.00 0.35 -2.62 0.00 0.00 177.26 174.99 3k9m n THR 223 N -1.30 0.11 -0.07 3.41 -2.24 -1.26 -4.05 114.28 108.87 3k9m n THR 223 Ca 0.00 -0.33 -0.12 0.00 -2.27 0.00 0.00 64.05 61.33 3k9m n THR 223 Cb 0.00 0.56 -0.10 0.00 -2.10 0.00 0.00 70.33 68.69 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 2.61 0.00 -2.14 3.42 3.58 -1.89 -3.30 116.42 118.71 3k9m h ASP 224 Ca 0.00 -0.69 -0.62 0.00 0.42 0.00 0.00 57.03 56.15 3k9m h ASP 224 Cb 0.56 0.00 0.13 0.00 1.72 0.00 0.00 39.33 41.74 3k9m h ASP 224 CO 0.00 0.96 -0.30 1.87 -2.88 0.00 0.00 179.24 178.90 3k9m n TRP 225 N -4.62 -0.07 0.00 0.28 -0.00 -1.26 -4.51 117.44 107.27 3k9m n TRP 225 Ca -0.11 0.69 0.00 0.00 -0.00 0.00 0.00 57.50 58.08 3k9m n TRP 225 Cb 0.40 -2.05 0.00 0.00 -0.00 0.00 0.00 31.31 29.67 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 1.68 2.93 3.24 5.87 0.00 -1.25 -2.53 105.19 115.13 3k9m n GLY 226 Ca 0.12 0.07 -0.41 0.00 0.00 0.00 0.00 46.02 45.79 3k9m n GLY 226 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3k9m s ASP 227 N -4.00 6.75 -1.52 1.61 -1.08 -1.11 -4.66 116.67 112.66 3k9m s ASP 227 Ca 0.00 -3.61 0.00 0.00 -0.52 0.00 0.00 52.55 48.42 3k9m s ASP 227 Cb 0.00 -2.09 0.00 0.00 -1.46 0.00 0.00 42.92 39.37 3k9m s ASP 227 CO 0.00 -0.26 0.00 0.59 0.52 0.00 0.00 175.17 176.02 3k9m n ASN 228 N 2.60 -4.66 0.00 -0.34 5.03 -1.24 -1.86 115.26 114.79 3k9m n ASN 228 Ca 0.22 0.20 0.00 0.00 0.87 0.00 0.00 54.58 55.88 3k9m n ASN 228 Cb 0.39 -4.02 0.00 0.00 -1.02 0.00 0.00 39.78 35.13 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 -0.69 1.96 2.92 7.41 0.00 -1.05 -4.65 105.19 111.08 3k9m n GLY 229 Ca -0.18 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.63 3k9m n GLY 229 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3k9m n PHE 230 N -0.74 -0.48 -3.53 1.61 3.01 -0.78 -2.57 117.46 113.97 3k9m n PHE 230 Ca 0.00 -1.83 -0.07 0.00 1.01 0.00 0.00 57.45 56.56 3k9m n PHE 230 Cb 0.00 -0.33 -0.02 0.00 -0.01 0.00 0.00 39.48 39.12 3k9m n PHE 230 CO 0.00 0.00 0.00 -0.59 1.01 0.00 0.00 176.76 177.18 3k9m s PHE 231 N -2.16 -0.29 0.28 1.38 -0.12 0.51 -2.77 117.98 114.81 3k9m s PHE 231 Ca 0.20 0.17 0.11 0.00 -0.05 0.00 0.00 56.93 57.35 3k9m s PHE 231 Cb -0.02 0.54 -0.05 0.00 -0.63 0.00 0.00 43.02 42.86 3k9m s PHE 231 CO 0.12 -0.47 -0.13 0.15 -0.05 0.00 0.00 175.22 174.85 3k9m s LYS 232 N -2.96 1.90 -0.28 1.99 1.02 -1.26 0.06 119.74 120.21 3k9m s LYS 232 Ca 0.06 -1.66 -0.21 0.00 0.02 0.00 0.00 55.97 54.18 3k9m s LYS 232 Cb -0.01 -1.90 0.11 0.00 -0.52 0.00 0.00 37.83 35.51 3k9m s LYS 232 CO -0.08 0.33 0.88 -1.50 -0.92 0.00 0.00 175.35 174.06 3k9m s ILE 233 N -2.45 0.00 0.17 2.17 -1.16 -1.17 -2.39 121.20 116.37 3k9m s ILE 233 Ca 0.31 0.00 -0.34 0.00 -0.51 0.00 0.00 60.65 60.11 3k9m s ILE 233 Cb -0.05 -1.00 -0.14 0.00 0.61 0.00 0.00 42.46 41.88 3k9m s ILE 233 CO 0.17 0.00 1.54 -0.11 -2.81 0.00 0.00 174.94 173.73 3k9m n LEU 234 N 3.07 3.00 -4.37 8.50 7.94 -1.07 -0.63 117.00 133.43 3k9m n LEU 234 Ca -0.16 1.09 -0.33 0.00 -1.11 0.00 0.00 56.01 55.51 3k9m n LEU 234 Cb 0.57 -1.41 -0.14 0.00 0.53 0.00 0.00 43.42 42.96 3k9m n LEU 234 CO 0.02 -0.37 -0.46 -0.60 -1.11 0.00 0.00 177.39 174.87 3k9m s ARG 235 N 0.71 3.26 0.00 1.96 3.52 0.17 -4.32 118.95 124.25 3k9m s ARG 235 Ca 0.78 -0.71 0.00 0.00 -0.13 0.00 0.00 55.73 55.67 3k9m s ARG 235 Cb -0.69 -2.57 0.00 0.00 -1.56 0.00 0.00 34.95 30.12 3k9m s ARG 235 CO 0.40 0.25 0.00 0.41 -0.81 0.00 0.00 175.30 175.55 3k9m n GLY 236 N 3.40 3.59 1.84 8.12 0.00 -1.26 -4.61 105.19 116.26 3k9m n GLY 236 Ca -0.18 -0.70 -0.15 0.00 0.00 0.00 0.00 46.02 44.99 3k9m n GLY 236 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3k9m n GLN 237 N 0.00 2.89 -3.69 1.61 -0.00 -1.26 -4.99 117.38 111.94 3k9m n GLN 237 Ca 0.00 -3.86 -0.23 0.00 -0.00 0.00 0.00 57.00 52.91 3k9m n GLN 237 Cb 0.00 -2.00 0.03 0.00 -0.00 0.00 0.00 30.24 28.27 3k9m n GLN 237 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.06 173.59 3k9m n ASP 238 N -0.73 -2.35 -4.65 2.61 2.03 -1.26 -4.85 116.55 107.35 3k9m n ASP 238 Ca 0.34 -0.88 -0.43 0.00 0.52 0.00 0.00 54.79 54.34 3k9m n ASP 238 Cb 0.90 -3.87 -0.03 0.00 -0.72 0.00 0.00 41.12 37.40 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 -3.65 2.11 -1.93 -0.67 5.65 -1.26 -0.98 115.29 114.56 3k9m s HIS 239 Ca 0.14 0.43 0.00 0.00 0.25 0.00 0.00 55.06 55.88 3k9m s HIS 239 Cb -0.04 -3.90 0.00 0.00 -1.18 0.00 0.00 32.58 27.46 3k9m s HIS 239 CO 0.83 -3.24 0.00 0.00 -0.65 0.00 0.00 174.74 171.68 3k9m n GLY 241 N -0.37 0.75 0.38 0.00 0.00 -0.16 -0.76 105.19 105.04 3k9m n GLY 241 Ca -0.19 0.00 0.19 0.00 0.00 0.00 0.00 46.02 46.03 3k9m n GLY 241 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 3k9m h ILE 242 N 0.00 0.30 -0.03 -0.61 2.10 -1.44 -0.05 117.51 117.78 3k9m h ILE 242 Ca 0.00 0.00 0.00 0.00 1.08 0.00 0.00 64.86 65.94 3k9m h ILE 242 Cb 0.00 0.65 0.00 0.00 -1.09 0.00 0.00 36.82 36.38 3k9m h ILE 242 CO 0.00 0.00 -0.07 -0.62 -1.08 0.00 0.00 178.15 176.38 3k9m n GLU 243 N -3.55 2.13 0.00 2.19 1.02 -1.26 -4.46 120.64 116.72 3k9m n GLU 243 Ca 0.05 -1.77 0.06 0.00 -0.02 0.00 0.00 57.16 55.48 3k9m n GLU 243 Cb 0.57 -1.46 -0.03 0.00 -0.02 0.00 0.00 31.44 30.49 3k9m n GLU 243 CO 0.00 0.00 0.00 -1.13 1.18 0.00 0.00 177.13 177.18 3k9m n SER 244 N 1.13 1.03 -2.31 1.62 3.41 -0.03 -4.04 113.62 114.42 3k9m n SER 244 Ca 0.13 -1.02 -0.19 0.00 -0.26 0.00 0.00 58.87 57.54 3k9m n SER 244 Cb 0.57 0.72 0.02 0.00 -0.26 0.00 0.00 64.21 65.27 3k9m n SER 244 CO 0.00 0.00 0.00 1.21 -0.16 0.00 0.00 175.04 176.09 3k9m n GLU 245 N -0.71 3.04 -3.42 4.33 4.07 -1.24 -4.92 120.64 121.79 3k9m n GLU 245 Ca 0.04 -4.04 -0.37 0.00 -0.06 0.00 0.00 57.16 52.73 3k9m n GLU 245 Cb 0.24 -2.07 -0.06 0.00 -0.06 0.00 0.00 31.44 29.48 3k9m n GLU 245 CO 0.00 0.00 0.00 0.08 -0.06 0.00 0.00 177.13 177.15 3k9m s VAL 246 N -4.52 5.20 0.00 6.31 1.01 -1.26 -3.82 120.40 123.32 3k9m s VAL 246 Ca 0.44 0.80 0.03 0.00 0.00 0.00 0.00 61.98 63.25 3k9m s VAL 246 Cb 0.39 -3.74 -0.01 0.00 0.00 0.00 0.00 36.38 33.02 3k9m s VAL 246 CO -0.02 0.39 -0.09 0.68 0.00 0.00 0.00 175.10 176.06 3k9m s VAL 247 N 0.28 0.74 0.00 2.92 -7.23 -0.67 -1.42 120.40 115.03 3k9m s VAL 247 Ca 0.23 -0.52 0.00 0.00 -1.81 0.00 0.00 61.98 59.87 3k9m s VAL 247 Cb -0.15 -0.64 0.00 0.00 0.56 0.00 0.00 36.38 36.15 3k9m s VAL 247 CO 0.09 0.12 0.00 0.00 -0.31 0.00 0.00 175.10 174.99 3k9m n ALA 248 N 2.60 0.00 0.00 1.32 0.00 -0.87 -2.37 120.51 121.20 3k9m n ALA 248 Ca -0.15 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.29 3k9m n ALA 248 Cb 0.56 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.01 3k9m n ALA 248 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3k9m n GLY 249 N 0.00 2.69 3.67 0.00 0.00 -1.26 -1.80 105.19 108.49 3k9m n GLY 249 Ca 0.00 -0.89 -0.35 0.00 0.00 0.00 0.00 46.02 44.79 3k9m n GLY 249 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3k9m s ILE 250 N -2.00 4.99 0.38 -0.61 1.01 0.10 -4.92 121.20 120.14 3k9m s ILE 250 Ca 0.00 0.04 -0.27 0.00 0.00 0.00 0.00 60.65 60.41 3k9m s ILE 250 Cb 0.00 -3.25 -0.10 0.00 0.01 0.00 0.00 42.46 39.12 3k9m s ILE 250 CO 0.00 0.46 1.37 -2.84 0.00 0.00 0.00 174.94 173.93 3k9m s PRO 251 N 0.32 4.11 0.58 2.79 0.02 -1.26 -1.03 135.00 140.53 3k9m s PRO 251 Ca 0.05 2.33 -0.11 0.00 0.02 0.00 0.00 61.00 63.29 3k9m s PRO 251 Cb -0.12 -2.91 -0.05 0.00 0.02 0.00 0.00 34.50 31.44 3k9m s PRO 251 CO -0.00 -0.44 0.98 0.50 -0.33 0.00 0.00 177.00 177.71 3k9m s ARG 252 N -2.07 3.65 0.00 5.54 3.52 -0.03 -4.06 118.95 125.49 3k9m s ARG 252 Ca 0.53 0.70 0.00 0.00 -0.13 0.00 0.00 55.73 56.84 3k9m s ARG 252 Cb -0.42 -2.14 0.00 0.00 -1.56 0.00 0.00 34.95 30.84 3k9m s ARG 252 CO 0.55 -0.46 0.00 2.41 -0.81 0.00 0.00 175.30 176.99 3k9m n THR 253 N -2.46 0.00 -0.64 4.11 -1.04 -1.26 -4.76 114.28 108.22 3k9m n THR 253 Ca 0.05 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.06 3k9m n THR 253 Cb 0.54 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.05 3k9m n THR 253 CO 0.00 0.00 0.00 -0.67 -0.64 0.00 0.00 175.07 173.76