#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1yum s LYS 3 N 0.00 2.96 -0.34 1.61 1.02 -1.26 -4.95 119.74 118.78 1yum s LYS 3 Ca 0.00 -1.14 0.04 0.00 0.02 0.00 0.00 55.97 54.89 1yum s LYS 3 Cb 0.00 -2.77 0.10 0.00 -0.52 0.00 0.00 37.83 34.64 1yum s LYS 3 CO 0.00 -0.09 0.05 1.03 -0.92 0.00 0.00 175.35 175.42 1yum s ARG 4 N -4.25 1.43 -0.17 1.68 0.52 -1.26 -0.62 118.95 116.28 1yum s ARG 4 Ca 0.49 -1.80 -0.07 0.00 -0.52 0.00 0.00 55.73 53.84 1yum s ARG 4 Cb -0.09 -3.10 -0.04 0.00 0.52 0.00 0.00 34.95 32.24 1yum s ARG 4 CO 0.32 -0.93 0.04 0.42 0.02 0.00 0.00 175.30 175.16 1yum s ILE 5 N 0.97 4.62 0.25 1.52 -1.09 -0.16 -0.66 121.20 126.65 1yum s ILE 5 Ca 0.10 -0.10 0.06 0.00 -2.23 0.00 0.00 60.65 58.49 1yum s ILE 5 Cb -0.19 -3.07 -0.03 0.00 -1.58 0.00 0.00 42.46 37.59 1yum s ILE 5 CO -0.09 0.47 0.29 -0.83 -1.23 0.00 0.00 174.94 173.55 1yum s GLY 6 N 0.32 1.33 -0.11 6.18 0.00 -0.16 -1.06 107.32 113.82 1yum s GLY 6 Ca 0.02 -1.33 -0.01 0.00 0.00 0.00 0.00 44.72 43.40 1yum s GLY 6 CO 0.01 -1.36 -0.06 1.08 0.00 0.00 0.00 173.10 172.77 1yum s LEU 7 N -3.93 1.12 -0.32 0.66 1.43 0.18 -1.71 118.68 116.11 1yum s LEU 7 Ca 0.34 -0.31 0.02 0.00 -1.03 0.00 0.00 54.13 53.15 1yum s LEU 7 Cb -0.08 -0.77 0.08 0.00 0.03 0.00 0.00 46.19 45.44 1yum s LEU 7 CO 0.27 -0.14 0.01 0.12 0.23 0.00 0.00 176.35 176.84 1yum s PHE 8 N 1.75 3.50 0.10 0.29 5.36 0.43 -0.50 117.98 128.90 1yum s PHE 8 Ca 0.04 -2.50 -0.08 0.00 -0.96 0.00 0.00 56.93 53.43 1yum s PHE 8 Cb -0.13 -2.51 -0.06 0.00 -0.34 0.00 0.00 43.02 39.98 1yum s PHE 8 CO -0.08 -0.90 0.39 0.20 -1.46 0.00 0.00 175.22 173.37 1yum s GLY 9 N 1.16 2.31 0.03 13.12 0.00 -1.26 0.19 107.32 122.87 1yum s GLY 9 Ca 0.01 -0.43 -0.29 0.00 0.00 0.00 0.00 44.72 44.02 1yum s GLY 9 CO -0.05 -0.25 1.07 -0.32 0.00 0.00 0.00 173.10 173.55 1yum s GLY 10 N -1.94 -0.34 0.05 0.20 0.00 -0.78 -4.87 107.32 99.65 1yum s GLY 10 Ca 0.35 0.66 -0.16 0.00 0.00 0.00 0.00 44.72 45.57 1yum s GLY 10 CO 0.20 0.17 1.19 -0.91 0.00 0.00 0.00 173.10 173.75 1yum h THR 11 N 2.00 1.34 -5.54 0.90 1.35 -1.88 0.34 112.91 111.41 1yum h THR 11 Ca -0.23 -2.07 -0.15 0.00 -0.55 0.00 0.00 66.41 63.41 1yum h THR 11 Cb 1.22 2.34 0.08 0.00 -1.73 0.00 0.00 68.15 70.05 1yum h THR 11 CO 0.27 0.63 -0.43 0.49 -0.25 0.00 0.00 175.52 176.23 1yum n PHE 12 N -4.05 -2.67 -3.18 4.73 3.01 -1.26 -4.63 117.46 109.42 1yum n PHE 12 Ca -0.10 0.97 -0.24 0.00 1.01 0.00 0.00 57.45 59.09 1yum n PHE 12 Cb 0.75 -4.00 -0.05 0.00 -0.01 0.00 0.00 39.48 36.17 1yum n PHE 12 CO 0.00 0.00 0.00 -3.47 1.01 0.00 0.00 176.76 174.30 1yum n ASP 13 N -2.40 2.44 -4.93 4.37 2.03 -1.26 -3.02 116.55 113.78 1yum n ASP 13 Ca -0.05 -3.24 -0.21 0.00 0.52 0.00 0.00 54.79 51.82 1yum n ASP 13 Cb 0.56 -0.62 0.05 0.00 -0.72 0.00 0.00 41.12 40.39 1yum n ASP 13 CO 0.00 0.00 0.00 -2.16 -1.92 0.00 0.00 177.20 173.12 1yum s PRO 14 N -2.47 2.41 0.29 -0.67 0.04 -1.26 -4.74 135.00 128.60 1yum s PRO 14 Ca 0.41 -1.01 -0.30 0.00 0.04 0.00 0.00 61.00 60.14 1yum s PRO 14 Cb 0.24 -2.53 -0.11 0.00 0.04 0.00 0.00 34.50 32.14 1yum s PRO 14 CO -0.09 -0.78 1.60 0.54 0.04 0.00 0.00 177.00 178.31 1yum s VAL 15 N -2.75 2.07 0.34 -0.36 0.11 -1.17 -4.74 120.40 113.91 1yum s VAL 15 Ca 0.59 0.06 0.05 0.00 -2.93 0.00 0.00 61.98 59.75 1yum s VAL 15 Cb -0.09 -3.04 -0.02 0.00 -1.53 0.00 0.00 36.38 31.71 1yum s VAL 15 CO 0.39 0.01 0.18 0.00 -3.33 0.00 0.00 175.10 172.34 1yum n HIS 16 N 2.22 -0.19 0.31 1.54 1.44 -1.26 -4.71 115.22 114.57 1yum n HIS 16 Ca 0.08 -2.42 0.16 0.00 -2.01 0.00 0.00 57.72 53.53 1yum n HIS 16 Cb 0.37 0.10 0.70 0.00 0.12 0.00 0.00 29.99 31.27 1yum n HIS 16 CO 0.00 0.00 0.00 -0.84 -2.81 0.00 0.00 176.34 172.69 1yum h ILE 17 N 1.74 0.00 -0.11 0.61 3.07 -1.70 -1.39 117.51 119.72 1yum h ILE 17 Ca -0.26 -0.32 -0.01 0.00 1.55 0.00 0.00 64.86 65.82 1yum h ILE 17 Cb 1.09 1.21 -0.00 0.00 -0.27 0.00 0.00 36.82 38.84 1yum h ILE 17 CO 0.40 0.00 0.04 1.23 -1.05 0.00 0.00 178.15 178.77 1yum h GLY 18 N 1.69 0.19 0.99 0.16 0.00 -1.86 0.25 103.07 104.48 1yum h GLY 18 Ca 0.00 -0.11 -0.02 0.00 0.00 0.00 0.00 47.33 47.20 1yum h GLY 18 CO 0.00 0.10 0.26 0.45 0.00 0.00 0.00 176.54 177.35 1yum h HIS 19 N 0.01 0.83 -0.18 5.60 3.86 -1.83 -2.50 115.15 120.95 1yum h HIS 19 Ca 0.04 -0.05 -0.20 0.00 -1.16 0.00 0.00 60.37 59.00 1yum h HIS 19 Cb 0.20 -0.26 0.00 0.00 1.06 0.00 0.00 27.41 28.42 1yum h HIS 19 CO -0.01 0.65 -0.70 0.52 0.86 0.00 0.00 177.93 179.26 1yum h MET 20 N 0.77 0.75 -0.41 2.45 2.07 -1.12 -0.89 114.93 118.55 1yum h MET 20 Ca 0.19 -0.56 -0.10 0.00 -2.07 0.00 0.00 59.70 57.16 1yum h MET 20 Cb 0.14 0.10 -0.02 0.00 -1.87 0.00 0.00 31.60 29.96 1yum h MET 20 CO -0.02 1.18 -0.14 -0.09 1.07 0.00 0.00 176.91 178.91 1yum h ARG 21 N 0.54 0.76 -0.35 1.72 9.65 -0.58 -1.47 114.38 124.65 1yum h ARG 21 Ca -0.03 -0.26 -0.07 0.00 -1.10 0.00 0.00 59.98 58.52 1yum h ARG 21 Cb 1.31 -0.06 -0.02 0.00 -1.39 0.00 0.00 29.97 29.81 1yum h ARG 21 CO 0.14 0.86 -0.08 1.03 2.80 0.00 0.00 179.97 184.72 1yum h SER 22 N 0.68 0.56 0.41 -3.80 0.87 -1.09 -1.95 113.55 109.23 1yum h SER 22 Ca 0.11 -0.14 -0.21 0.00 -1.23 0.00 0.00 61.79 60.32 1yum h SER 22 Cb 0.62 -0.15 -0.00 0.00 -0.44 0.00 0.00 62.40 62.43 1yum h SER 22 CO 0.04 0.69 -0.90 0.00 -0.53 0.00 0.00 176.83 176.13 1yum h ALA 23 N 1.38 0.43 0.05 6.23 0.00 -0.89 -1.11 119.26 125.34 1yum h ALA 23 Ca 0.10 -0.70 -0.00 0.00 0.00 0.00 0.00 54.91 54.31 1yum h ALA 23 Cb 0.47 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.22 1yum h ALA 23 CO 0.03 0.84 -0.02 0.28 0.00 0.00 0.00 179.25 180.37 1yum h VAL 24 N 0.20 0.98 -0.50 0.00 2.07 -1.13 -1.89 116.25 115.98 1yum h VAL 24 Ca -0.06 -0.08 -0.00 0.00 0.82 0.00 0.00 66.70 67.37 1yum h VAL 24 Cb 1.53 1.03 -0.02 0.00 -1.52 0.00 0.00 31.29 32.31 1yum h VAL 24 CO 0.15 0.02 0.30 -0.33 0.02 0.00 0.00 177.57 177.73 1yum h GLU 25 N -0.10 0.68 0.00 1.57 5.08 -1.34 -1.60 114.58 118.87 1yum h GLU 25 Ca -0.01 -0.06 -0.09 0.00 -1.00 0.00 0.00 59.36 58.20 1yum h GLU 25 Cb 0.08 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.18 1yum h GLU 25 CO 0.01 0.50 -0.42 1.98 -1.00 0.00 0.00 179.01 180.07 1yum h MET 26 N 0.67 0.00 -0.29 2.33 4.05 -1.19 0.14 114.93 120.64 1yum h MET 26 Ca 0.18 0.00 -0.10 0.00 -0.28 0.00 0.00 59.70 59.50 1yum h MET 26 Cb -0.01 0.00 -0.01 0.00 -0.80 0.00 0.00 31.60 30.78 1yum h MET 26 CO -0.03 0.42 -0.23 0.00 0.23 0.00 0.00 176.91 177.30 1yum h ALA 27 N 1.58 1.06 -0.17 0.39 0.00 -0.62 -1.73 119.26 119.78 1yum h ALA 27 Ca -0.00 -0.34 -0.21 0.00 0.00 0.00 0.00 54.91 54.35 1yum h ALA 27 Cb 1.01 -0.13 0.01 0.00 0.00 0.00 0.00 17.79 18.68 1yum h ALA 27 CO 0.05 0.57 -0.71 0.93 0.00 0.00 0.00 179.25 180.09 1yum h GLU 28 N 0.49 0.78 0.00 0.00 5.08 -0.79 0.12 114.58 120.26 1yum h GLU 28 Ca 0.07 -0.62 -0.04 0.00 -1.00 0.00 0.00 59.36 57.78 1yum h GLU 28 Cb 0.66 0.12 -0.01 0.00 0.50 0.00 0.00 28.75 30.03 1yum h GLU 28 CO 0.05 1.23 -0.19 0.37 -1.00 0.00 0.00 179.01 179.47 1yum h GLN 29 N 0.51 0.00 -0.19 2.33 4.15 -0.62 -2.95 115.11 118.35 1yum h GLN 29 Ca -0.04 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.38 1yum h GLN 29 Cb 1.34 0.00 0.00 0.00 0.21 0.00 0.00 27.48 29.03 1yum h GLN 29 CO 0.15 0.19 0.00 1.19 -1.93 0.00 0.00 178.83 178.42 1yum n PHE 30 N -4.05 0.23 -4.23 3.99 3.01 -0.66 -4.97 117.46 110.78 1yum n PHE 30 Ca -0.02 -0.15 -0.32 0.00 1.01 0.00 0.00 57.45 57.97 1yum n PHE 30 Cb 0.26 -0.00 -0.06 0.00 -0.01 0.00 0.00 39.48 39.67 1yum n PHE 30 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1yum n ALA 31 N 1.10 -1.77 -1.77 4.37 0.00 0.36 -4.90 120.51 117.90 1yum n ALA 31 Ca 0.14 -0.28 -0.37 0.00 0.00 0.00 0.00 53.44 52.93 1yum n ALA 31 Cb 0.49 -1.68 -0.01 0.00 0.00 0.00 0.00 19.45 18.26 1yum n ALA 31 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1yum s LEU 32 N -7.22 3.98 0.24 0.00 1.43 -0.88 -4.85 118.68 111.36 1yum s LEU 32 Ca 0.24 2.32 -0.07 0.00 -1.03 0.00 0.00 54.13 55.60 1yum s LEU 32 Cb -0.14 -4.27 0.22 0.00 0.03 0.00 0.00 46.19 42.03 1yum s LEU 32 CO 0.96 -0.98 1.86 0.44 0.23 0.00 0.00 176.35 178.86 1yum h ASP 33 N 1.95 1.13 -4.09 2.29 3.32 -1.24 -3.46 116.42 116.32 1yum h ASP 33 Ca -0.49 -0.10 -0.03 0.00 0.02 0.00 0.00 57.03 56.43 1yum h ASP 33 Cb 1.25 -0.29 -0.21 0.00 0.22 0.00 0.00 39.33 40.30 1yum h ASP 33 CO 0.60 0.90 0.20 -0.70 -1.72 0.00 0.00 179.24 178.52 1yum s GLU 34 N -5.83 0.83 -0.23 3.56 2.12 -1.22 -4.60 118.70 113.32 1yum s GLU 34 Ca -0.13 0.77 -0.02 0.00 0.36 0.00 0.00 54.97 55.95 1yum s GLU 34 Cb 0.17 0.40 0.02 0.00 0.26 0.00 0.00 34.13 34.98 1yum s GLU 34 CO 0.83 -0.14 -0.08 -1.17 -0.54 0.00 0.00 175.26 174.16 1yum s LEU 35 N -0.00 2.94 -0.25 2.70 2.96 0.33 -0.99 118.68 126.37 1yum s LEU 35 Ca -0.02 -0.72 -0.20 0.00 -0.22 0.00 0.00 54.13 52.97 1yum s LEU 35 Cb -0.04 -1.65 -0.02 0.00 0.50 0.00 0.00 46.19 44.98 1yum s LEU 35 CO 0.02 -0.08 0.63 -0.13 -1.32 0.00 0.00 176.35 175.47 1yum s ARG 36 N 1.36 4.12 0.22 1.98 0.52 -0.69 -1.34 118.95 125.12 1yum s ARG 36 Ca 0.02 0.56 -0.30 0.00 -0.52 0.00 0.00 55.73 55.49 1yum s ARG 36 Cb -0.15 -3.64 -0.08 0.00 0.52 0.00 0.00 34.95 31.59 1yum s ARG 36 CO -0.06 -0.39 1.10 -0.51 0.02 0.00 0.00 175.30 175.46 1yum s LEU 37 N 2.43 4.52 -0.53 2.53 1.02 0.50 -0.43 118.68 128.71 1yum s LEU 37 Ca 0.26 2.17 0.04 0.00 0.02 0.00 0.00 54.13 56.62 1yum s LEU 37 Cb -0.16 -3.61 0.14 0.00 0.02 0.00 0.00 46.19 42.59 1yum s LEU 37 CO 0.09 -0.18 0.32 -0.22 0.02 0.00 0.00 176.35 176.37 1yum s LEU 38 N -0.83 3.73 0.23 1.79 2.96 0.51 -1.24 118.68 125.83 1yum s LEU 38 Ca 0.47 -3.11 -0.31 0.00 -0.22 0.00 0.00 54.13 50.96 1yum s LEU 38 Cb -0.30 -1.37 -0.11 0.00 0.50 0.00 0.00 46.19 44.91 1yum s LEU 38 CO 0.37 -0.20 1.62 -2.16 -1.32 0.00 0.00 176.35 174.66 1yum s PRO 39 N -0.37 4.16 0.34 0.98 0.04 -1.26 -1.86 135.00 137.03 1yum s PRO 39 Ca 0.20 2.51 -0.20 0.00 0.04 0.00 0.00 61.00 63.56 1yum s PRO 39 Cb -0.18 -3.08 -0.10 0.00 0.04 0.00 0.00 34.50 31.19 1yum s PRO 39 CO -0.06 -0.65 0.83 -0.80 0.04 0.00 0.00 177.00 176.37 1yum s ASN 40 N 0.88 6.97 0.17 6.66 0.02 0.12 -4.49 114.94 125.27 1yum s ASN 40 Ca 0.69 1.53 -0.21 0.00 -1.02 0.00 0.00 52.86 53.84 1yum s ASN 40 Cb -0.47 -2.47 -0.08 0.00 0.02 0.00 0.00 41.25 38.25 1yum s ASN 40 CO 0.38 -0.18 0.71 0.00 0.02 0.00 0.00 177.10 178.02 1yum s ALA 41 N -1.89 3.46 0.18 0.60 0.00 -1.26 -4.85 121.76 118.00 1yum s ALA 41 Ca 0.54 0.20 -0.12 0.00 0.00 0.00 0.00 51.96 52.58 1yum s ALA 41 Cb -0.12 -2.83 0.00 0.00 0.00 0.00 0.00 23.12 20.17 1yum s ALA 41 CO 0.18 0.33 0.36 -0.98 0.00 0.00 0.00 175.76 175.65 1yum s ARG 42 N -1.54 1.25 0.42 0.00 1.70 -1.26 -4.53 118.95 114.98 1yum s ARG 42 Ca 0.38 -1.09 -0.25 0.00 -0.47 0.00 0.00 55.73 54.29 1yum s ARG 42 Cb -0.19 0.42 -0.10 0.00 -0.57 0.00 0.00 34.95 34.51 1yum s ARG 42 CO 0.22 -0.48 1.18 -2.30 -1.08 0.00 0.00 175.30 172.84 1yum n PRO 43 N -0.26 1.72 -0.27 3.89 -0.02 -1.26 -4.79 135.00 134.01 1yum n PRO 43 Ca -0.08 0.61 0.14 0.00 -2.02 0.00 0.00 63.50 62.16 1yum n PRO 43 Cb 0.63 -2.26 0.41 0.00 -0.02 0.00 0.00 33.50 32.26 1yum n PRO 43 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 1yum h PRO 44 N 1.90 0.60 0.00 0.52 0.11 -1.99 0.41 132.00 133.55 1yum h PRO 44 Ca -0.46 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.61 1yum h PRO 44 Cb 1.31 -0.14 0.00 0.00 0.11 0.00 0.00 31.00 32.28 1yum h PRO 44 CO 0.59 0.40 0.00 -2.39 -0.21 0.00 0.00 178.00 176.39 1yum n HIS 45 N -4.57 0.00 1.07 0.65 1.44 -1.26 -1.78 115.22 110.77 1yum n HIS 45 Ca 0.18 0.00 0.12 0.00 -2.01 0.00 0.00 57.72 56.01 1yum n HIS 45 Cb 0.54 0.00 0.11 0.00 0.12 0.00 0.00 29.99 30.76 1yum n HIS 45 CO 0.00 0.00 0.00 0.54 -2.81 0.00 0.00 176.34 174.07 1yum n ARG 46 N -0.56 0.99 -2.77 -1.40 5.12 0.13 -4.96 116.66 113.21 1yum n ARG 46 Ca 0.03 -0.76 -0.32 0.00 -1.93 0.00 0.00 57.85 54.87 1yum n ARG 46 Cb 0.01 -1.48 -0.05 0.00 -1.16 0.00 0.00 32.46 29.78 1yum n ARG 46 CO 0.00 0.00 0.00 -1.21 -1.93 0.00 0.00 177.63 174.49 1yum s GLU 47 N -2.54 4.00 0.19 5.56 0.41 -0.74 -4.98 118.70 120.61 1yum s GLU 47 Ca 0.19 0.83 -0.32 0.00 -0.41 0.00 0.00 54.97 55.27 1yum s GLU 47 Cb 0.18 -2.27 -0.12 0.00 -1.78 0.00 0.00 34.13 30.15 1yum s GLU 47 CO 0.58 -0.06 1.75 2.41 -0.49 0.00 0.00 175.26 179.45 1yum n THR 48 N -1.00 0.08 -1.70 3.63 -1.04 -1.25 -4.86 114.28 108.14 1yum n THR 48 Ca 0.05 -0.01 -0.43 0.00 -2.04 0.00 0.00 64.05 61.62 1yum n THR 48 Cb 0.54 -2.01 -0.01 0.00 -1.82 0.00 0.00 70.33 67.03 1yum n THR 48 CO 0.00 0.00 0.00 -2.65 -0.64 0.00 0.00 175.07 171.78 1yum n PRO 49 N 4.32 2.18 -3.21 -2.82 -0.02 -1.26 -0.07 135.00 134.13 1yum n PRO 49 Ca 0.16 0.77 -0.21 0.00 -2.02 0.00 0.00 63.50 62.20 1yum n PRO 49 Cb 0.35 -2.39 -0.00 0.00 -0.02 0.00 0.00 33.50 31.44 1yum n PRO 49 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 1yum n GLN 50 N 1.07 -3.36 -3.67 -0.52 3.00 -1.26 -4.86 117.38 107.78 1yum n GLN 50 Ca 0.07 0.52 -0.29 0.00 -0.01 0.00 0.00 57.00 57.29 1yum n GLN 50 Cb 0.35 -5.22 -0.15 0.00 0.00 0.00 0.00 30.24 25.21 1yum n GLN 50 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.06 177.14 1yum s VAL 51 N -2.90 0.46 0.85 5.09 1.01 0.91 -4.66 120.40 121.16 1yum s VAL 51 Ca 0.33 -0.97 -0.12 0.00 0.00 0.00 0.00 61.98 61.23 1yum s VAL 51 Cb -0.17 -1.27 0.10 0.00 0.00 0.00 0.00 36.38 35.04 1yum s VAL 51 CO 0.41 -0.58 1.10 -0.94 0.00 0.00 0.00 175.10 175.09 1yum s SER 52 N 1.84 3.94 0.46 3.32 1.04 -1.26 -3.96 113.70 119.08 1yum s SER 52 Ca 0.07 1.39 0.18 0.00 0.48 0.00 0.00 55.95 58.07 1yum s SER 52 Cb -0.17 -2.09 1.08 0.00 0.10 0.00 0.00 66.02 64.95 1yum s SER 52 CO -0.25 -2.33 1.98 0.00 0.98 0.00 0.00 173.24 173.63 1yum h ALA 53 N -1.34 1.51 -0.54 5.32 0.00 -1.97 -1.40 119.26 120.84 1yum h ALA 53 Ca -0.48 -0.18 -0.04 0.00 0.00 0.00 0.00 54.91 54.21 1yum h ALA 53 Cb 1.28 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 19.01 1yum h ALA 53 CO 0.57 0.25 0.19 0.00 0.00 0.00 0.00 179.25 180.26 1yum h ALA 54 N 1.80 1.31 0.03 0.00 0.00 -1.98 -1.59 119.26 118.83 1yum h ALA 54 Ca -0.00 -0.16 -0.23 0.00 0.00 0.00 0.00 54.91 54.51 1yum h ALA 54 Cb 0.39 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 1yum h ALA 54 CO 0.03 0.50 -1.11 1.96 0.00 0.00 0.00 179.25 180.63 1yum h GLN 55 N 0.79 0.06 -0.80 0.00 4.20 -1.72 -0.75 115.11 116.88 1yum h GLN 55 Ca 0.18 -0.10 0.02 0.00 0.06 0.00 0.00 58.65 58.81 1yum h GLN 55 Cb 0.20 0.04 -0.04 0.00 0.30 0.00 0.00 27.48 27.97 1yum h GLN 55 CO -0.01 1.01 0.52 0.00 -0.67 0.00 0.00 178.83 179.68 1yum h ARG 56 N 0.02 1.02 0.29 1.46 3.08 -1.13 -1.46 114.38 117.65 1yum h ARG 56 Ca -0.06 -0.06 -0.00 0.00 0.07 0.00 0.00 59.98 59.93 1yum h ARG 56 Cb 1.83 -0.23 -0.01 0.00 0.08 0.00 0.00 29.97 31.64 1yum h ARG 56 CO 0.14 0.67 -0.24 1.25 -1.07 0.00 0.00 179.97 180.73 1yum h LEU 57 N 1.05 -0.62 -1.46 3.04 5.85 -1.15 -2.35 115.31 119.68 1yum h LEU 57 Ca 0.31 0.05 -0.00 0.00 0.84 0.00 0.00 57.88 59.08 1yum h LEU 57 Cb -0.06 0.20 -0.02 0.00 0.37 0.00 0.00 40.66 41.15 1yum h LEU 57 CO -0.09 -0.36 0.31 0.00 -0.34 0.00 0.00 178.44 177.97 1yum h ALA 58 N 0.11 1.60 -0.44 1.25 0.00 -0.81 -0.73 119.26 120.25 1yum h ALA 58 Ca -0.02 -0.05 -0.09 0.00 0.00 0.00 0.00 54.91 54.75 1yum h ALA 58 Cb 0.48 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.04 1yum h ALA 58 CO -0.02 0.35 -0.11 0.52 0.00 0.00 0.00 179.25 180.00 1yum h MET 59 N 0.69 0.80 -0.20 0.00 2.86 -1.13 -0.29 114.93 117.65 1yum h MET 59 Ca 0.18 -0.27 -0.09 0.00 -2.06 0.00 0.00 59.70 57.46 1yum h MET 59 Cb -0.04 -0.07 -0.01 0.00 0.06 0.00 0.00 31.60 31.54 1yum h MET 59 CO -0.04 0.87 -0.28 0.28 1.06 0.00 0.00 176.91 178.81 1yum h VAL 60 N 0.72 1.27 -0.66 -2.22 2.07 -0.75 -0.18 116.25 116.50 1yum h VAL 60 Ca 0.12 -1.28 -0.05 0.00 0.82 0.00 0.00 66.70 66.30 1yum h VAL 60 Cb 0.59 1.43 -0.03 0.00 -1.52 0.00 0.00 31.29 31.76 1yum h VAL 60 CO 0.04 0.40 0.20 -0.33 0.02 0.00 0.00 177.57 177.90 1yum h GLU 61 N 0.34 1.02 -0.57 1.57 5.08 -0.42 -1.48 114.58 120.11 1yum h GLU 61 Ca 0.05 -0.21 -0.10 0.00 -1.00 0.00 0.00 59.36 58.10 1yum h GLU 61 Cb 0.68 -0.15 -0.02 0.00 0.50 0.00 0.00 28.75 29.75 1yum h GLU 61 CO 0.05 0.88 -0.03 0.00 -1.00 0.00 0.00 179.01 178.91 1yum h ARG 62 N 0.98 1.04 -0.94 2.33 2.47 -0.77 -2.38 114.38 117.11 1yum h ARG 62 Ca 0.22 -0.35 0.05 0.00 -1.26 0.00 0.00 59.98 58.64 1yum h ARG 62 Cb 0.29 -0.09 -0.06 0.00 -1.65 0.00 0.00 29.97 28.47 1yum h ARG 62 CO -0.01 1.04 0.60 0.00 0.56 0.00 0.00 179.97 182.16 1yum h ALA 63 N 0.96 1.26 -0.02 0.04 0.00 -0.52 -3.06 119.26 117.93 1yum h ALA 63 Ca 0.16 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.04 1yum h ALA 63 Cb 0.59 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 18.08 1yum h ALA 63 CO 0.04 0.43 -0.15 1.33 0.00 0.00 0.00 179.25 180.89 1yum n VAL 64 N -4.52 0.00 -1.55 0.00 0.24 -0.61 -4.83 118.33 107.06 1yum n VAL 64 Ca 0.13 -0.39 -0.53 0.00 -2.04 0.00 0.00 64.34 61.51 1yum n VAL 64 Cb 0.13 1.28 -0.07 0.00 -1.47 0.00 0.00 33.84 33.72 1yum n VAL 64 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1yum n ALA 65 N 0.75 0.67 -1.86 2.33 0.00 -0.91 -0.41 120.51 121.07 1yum n ALA 65 Ca 0.13 0.13 -0.20 0.00 0.00 0.00 0.00 53.44 53.49 1yum n ALA 65 Cb 0.53 -2.43 -0.06 0.00 0.00 0.00 0.00 19.45 17.48 1yum n ALA 65 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1yum n GLY 66 N 5.62 1.11 3.78 0.00 0.00 -1.26 -4.98 105.19 109.46 1yum n GLY 66 Ca 0.35 -0.04 -0.36 0.00 0.00 0.00 0.00 46.02 45.97 1yum n GLY 66 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1yum s VAL 67 N -2.84 5.42 0.14 1.61 1.01 0.45 -5.03 120.40 121.15 1yum s VAL 67 Ca 0.00 0.26 -0.31 0.00 0.00 0.00 0.00 61.98 61.93 1yum s VAL 67 Cb 0.00 -3.47 -0.09 0.00 0.00 0.00 0.00 36.38 32.81 1yum s VAL 67 CO 0.00 0.50 1.54 -1.83 0.00 0.00 0.00 175.10 175.31 1yum s GLU 68 N -0.16 4.24 -0.44 2.72 1.03 -1.26 -3.13 118.70 121.70 1yum s GLU 68 Ca 0.12 2.29 0.00 0.00 0.03 0.00 0.00 54.97 57.41 1yum s GLU 68 Cb -0.12 -3.24 0.00 0.00 -0.80 0.00 0.00 34.13 29.97 1yum s GLU 68 CO 0.01 -0.59 0.00 0.54 -1.33 0.00 0.00 175.26 173.90 1yum n ARG 69 N 4.21 -0.68 -4.89 -4.83 1.74 -1.26 -5.00 116.66 105.95 1yum n ARG 69 Ca 0.14 0.49 -0.30 0.00 -0.77 0.00 0.00 57.85 57.41 1yum n ARG 69 Cb 0.40 -4.21 -0.17 0.00 -1.02 0.00 0.00 32.46 27.45 1yum n ARG 69 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1yum s LEU 70 N -0.94 1.97 0.38 0.55 1.43 -1.18 0.12 118.68 121.00 1yum s LEU 70 Ca 0.00 -0.51 0.05 0.00 -1.03 0.00 0.00 54.13 52.64 1yum s LEU 70 Cb 0.00 -1.28 -0.03 0.00 0.03 0.00 0.00 46.19 44.91 1yum s LEU 70 CO 0.00 0.10 0.17 0.42 0.23 0.00 0.00 176.35 177.27 1yum s THR 71 N 0.59 0.41 -0.09 5.49 -4.23 -0.45 -4.75 115.64 112.61 1yum s THR 71 Ca -0.14 -2.00 0.02 0.00 -1.18 0.00 0.00 61.69 58.39 1yum s THR 71 Cb -0.17 -2.40 0.01 0.00 1.34 0.00 0.00 72.50 71.29 1yum s THR 71 CO 0.04 0.00 -0.14 0.54 -0.54 0.00 0.00 174.62 174.52 1yum s VAL 72 N -3.31 1.38 -0.42 2.29 0.11 -1.26 -0.37 120.40 118.81 1yum s VAL 72 Ca 0.29 -0.59 -0.16 0.00 -2.93 0.00 0.00 61.98 58.59 1yum s VAL 72 Cb 0.03 -1.26 0.02 0.00 -1.53 0.00 0.00 36.38 33.64 1yum s VAL 72 CO 0.18 0.41 0.38 -0.62 -3.33 0.00 0.00 175.10 172.12 1yum s ASP 73 N 0.87 6.16 0.00 3.54 3.68 -0.37 -4.91 116.67 125.64 1yum s ASP 73 Ca -0.10 -0.82 0.28 0.00 2.13 0.00 0.00 52.55 54.05 1yum s ASP 73 Cb -0.15 -2.20 1.03 0.00 -1.45 0.00 0.00 42.92 40.15 1yum s ASP 73 CO 0.01 -0.54 1.73 -0.81 0.13 0.00 0.00 175.17 175.69 1yum n PRO 74 N 5.40 1.15 -0.28 4.34 -0.04 -1.26 -4.21 135.00 140.10 1yum n PRO 74 Ca -0.09 -0.60 0.30 0.00 -0.04 0.00 0.00 63.50 63.07 1yum n PRO 74 Cb 0.47 -1.49 0.68 0.00 -0.04 0.00 0.00 33.50 33.12 1yum n PRO 74 CO 0.00 0.00 0.00 0.07 -0.04 0.00 0.00 175.50 175.53 1yum h ARG 75 N 1.47 0.10 0.00 0.54 0.11 -1.93 0.67 114.38 115.34 1yum h ARG 75 Ca 0.00 -0.01 -0.06 0.00 0.10 0.00 0.00 59.98 60.02 1yum h ARG 75 Cb 0.45 -0.02 -0.01 0.00 1.11 0.00 0.00 29.97 31.49 1yum h ARG 75 CO 0.00 0.07 -0.28 0.93 0.10 0.00 0.00 179.97 180.79 1yum h GLU 76 N 0.10 0.00 -0.00 0.08 5.08 -1.81 -2.83 114.58 115.20 1yum h GLU 76 Ca 0.53 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.89 1yum h GLU 76 Cb 1.90 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.15 1yum h GLU 76 CO -0.08 0.28 -0.14 1.28 -1.00 0.00 0.00 179.01 179.35 1yum n LEU 77 N -3.54 0.39 -0.23 1.33 4.77 0.23 -3.26 117.00 116.69 1yum n LEU 77 Ca -0.01 0.09 0.10 0.00 -0.03 0.00 0.00 56.01 56.16 1yum n LEU 77 Cb 0.42 -0.24 -0.06 0.00 -2.33 0.00 0.00 43.42 41.22 1yum n LEU 77 CO 0.34 0.08 0.12 0.00 -1.33 0.00 0.00 177.39 176.61 1yum n GLN 78 N -1.11 1.00 0.00 3.23 1.13 -1.07 -4.84 117.38 115.71 1yum n GLN 78 Ca 0.12 -0.48 0.00 0.00 -1.94 0.00 0.00 57.00 54.70 1yum n GLN 78 Cb 0.29 -1.41 0.00 0.00 0.11 0.00 0.00 30.24 29.23 1yum n GLN 78 CO 0.00 0.00 0.00 0.54 -1.44 0.00 0.00 177.06 176.16 1yum n ARG 79 N -0.74 2.30 0.00 -1.09 1.74 -1.19 -5.06 116.66 112.61 1yum n ARG 79 Ca 0.06 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.14 1yum n ARG 79 Cb 0.37 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.81 1yum n ARG 79 CO 0.00 0.00 0.00 -0.40 -1.52 0.00 0.00 177.63 175.71 1yum n ASP 80 N 0.00 3.35 -3.89 0.55 3.85 -1.26 -5.10 116.55 114.05 1yum n ASP 80 Ca 0.00 0.00 -0.10 0.00 -0.71 0.00 0.00 54.79 53.98 1yum n ASP 80 Cb 0.00 0.37 -0.05 0.00 -1.35 0.00 0.00 41.12 40.09 1yum n ASP 80 CO 0.00 0.00 0.00 -1.59 -1.01 0.00 0.00 177.20 174.60 1yum s LYS 81 N -1.63 1.61 -0.65 0.11 -2.85 -1.26 -5.04 119.74 110.02 1yum s LYS 81 Ca 0.00 -1.31 -0.26 0.00 -1.00 0.00 0.00 55.97 53.40 1yum s LYS 81 Cb 0.00 0.47 -0.26 0.00 -2.06 0.00 0.00 37.83 35.98 1yum s LYS 81 CO 0.00 -0.67 1.84 -2.30 0.10 0.00 0.00 175.35 174.32 1yum n PRO 82 N -0.40 0.05 0.00 1.78 -0.02 -1.26 -4.89 135.00 130.26 1yum n PRO 82 Ca -0.02 -1.34 0.00 0.00 -2.02 0.00 0.00 63.50 60.13 1yum n PRO 82 Cb 0.62 -3.24 0.00 0.00 -0.02 0.00 0.00 33.50 30.86 1yum n PRO 82 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 1yum n SER 83 N 15.23 -1.45 -4.66 2.55 2.88 -1.26 -5.01 113.62 121.90 1yum n SER 83 Ca 0.39 0.00 -0.32 0.00 -1.33 0.00 0.00 58.87 57.61 1yum n SER 83 Cb 0.45 0.00 -0.09 0.00 -0.75 0.00 0.00 64.21 63.82 1yum n SER 83 CO 0.00 0.00 0.00 -0.31 -1.23 0.00 0.00 175.04 173.50 1yum s TYR 84 N -0.73 3.01 0.46 0.66 1.51 -1.26 -5.00 117.35 116.01 1yum s TYR 84 Ca 0.00 0.03 0.12 0.00 -1.01 0.00 0.00 57.07 56.21 1yum s TYR 84 Cb 0.00 -1.63 1.06 0.00 -0.11 0.00 0.00 41.96 41.28 1yum s TYR 84 CO 0.00 0.44 2.10 1.15 -1.11 0.00 0.00 175.55 178.13 1yum h THR 85 N 3.48 1.06 -0.24 -0.71 2.02 -1.95 -0.77 112.91 115.80 1yum h THR 85 Ca -0.49 -0.14 -0.09 0.00 0.77 0.00 0.00 66.41 66.46 1yum h THR 85 Cb 1.17 0.81 -0.01 0.00 -1.74 0.00 0.00 68.15 68.38 1yum h THR 85 CO 0.57 0.06 -0.24 -0.29 0.37 0.00 0.00 175.52 175.98 1yum h ILE 86 N 0.25 1.26 -0.64 3.11 6.09 -1.95 0.67 117.51 126.31 1yum h ILE 86 Ca 0.07 -1.23 -0.02 0.00 -1.37 0.00 0.00 64.86 62.30 1yum h ILE 86 Cb 0.00 1.35 -0.03 0.00 0.47 0.00 0.00 36.82 38.61 1yum h ILE 86 CO -0.01 0.39 0.32 0.44 -3.07 0.00 0.00 178.15 176.22 1yum h ASP 87 N 0.40 0.82 -0.19 2.19 3.32 -1.58 0.71 116.42 122.10 1yum h ASP 87 Ca 0.06 -0.12 -0.02 0.00 0.02 0.00 0.00 57.03 56.96 1yum h ASP 87 Cb 0.64 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 39.98 1yum h ASP 87 CO 0.05 0.71 0.02 0.74 -1.72 0.00 0.00 179.24 179.04 1yum h THR 88 N 0.87 1.23 -0.66 0.35 2.02 -0.31 -0.46 112.91 115.97 1yum h THR 88 Ca 0.22 -0.78 0.07 0.00 0.77 0.00 0.00 66.41 66.70 1yum h THR 88 Cb 0.10 1.39 -0.06 0.00 -1.74 0.00 0.00 68.15 67.84 1yum h THR 88 CO -0.03 0.24 0.33 -0.07 0.37 0.00 0.00 175.52 176.36 1yum h LEU 89 N 0.09 0.46 -0.29 2.58 3.38 0.45 0.55 115.31 122.53 1yum h LEU 89 Ca 0.06 0.05 -0.02 0.00 0.09 0.00 0.00 57.88 58.05 1yum h LEU 89 Cb 0.34 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.04 1yum h LEU 89 CO 0.01 0.29 0.11 -0.33 0.09 0.00 0.00 178.44 178.60 1yum h GLU 90 N 0.60 0.44 0.05 1.13 5.08 -0.65 -1.50 114.58 119.73 1yum h GLU 90 Ca 0.31 -0.09 -0.00 0.00 -1.00 0.00 0.00 59.36 58.58 1yum h GLU 90 Cb 0.27 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.45 1yum h GLU 90 CO -0.22 0.47 -0.03 1.03 -1.00 0.00 0.00 179.01 179.26 1yum h SER 91 N 0.31 -0.06 -0.86 1.42 0.87 -0.77 -2.61 113.55 111.84 1yum h SER 91 Ca 0.09 -0.04 0.09 0.00 -1.23 0.00 0.00 61.79 60.70 1yum h SER 91 Cb 0.21 0.02 -0.07 0.00 -0.44 0.00 0.00 62.40 62.11 1yum h SER 91 CO -0.01 0.00 0.52 0.58 -0.53 0.00 0.00 176.83 177.39 1yum h VAL 92 N -0.11 0.96 -0.21 2.23 2.07 -0.87 -3.10 116.25 117.21 1yum h VAL 92 Ca -0.01 -0.30 0.05 0.00 0.82 0.00 0.00 66.70 67.26 1yum h VAL 92 Cb 0.10 -0.01 -0.05 0.00 -1.52 0.00 0.00 31.29 29.81 1yum h VAL 92 CO 0.01 0.16 -0.10 0.03 0.02 0.00 0.00 177.57 177.69 1yum h ARG 93 N 0.88 -0.07 0.00 1.57 2.47 -0.91 -1.81 114.38 116.51 1yum h ARG 93 Ca 0.40 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 59.13 1yum h ARG 93 Cb 0.31 0.02 0.00 0.00 -1.65 0.00 0.00 29.97 28.65 1yum h ARG 93 CO -0.22 -0.05 0.00 0.00 0.56 0.00 0.00 179.97 180.26 1yum n ALA 94 N -2.53 1.17 0.93 0.04 0.00 -1.04 0.44 120.51 119.52 1yum n ALA 94 Ca -0.02 0.16 0.12 0.00 0.00 0.00 0.00 53.44 53.70 1yum n ALA 94 Cb 0.18 -1.31 0.16 0.00 0.00 0.00 0.00 19.45 18.49 1yum n ALA 94 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1yum n GLU 95 N -2.19 0.05 -3.45 0.00 1.02 -0.70 -4.94 120.64 110.42 1yum n GLU 95 Ca -0.01 0.00 -0.19 0.00 -0.02 0.00 0.00 57.16 56.95 1yum n GLU 95 Cb 0.07 -1.52 -0.01 0.00 -0.02 0.00 0.00 31.44 29.96 1yum n GLU 95 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1yum s LEU 96 N -3.17 3.71 0.77 -4.62 1.43 0.17 -5.10 118.68 111.87 1yum s LEU 96 Ca 0.09 -0.41 -0.11 0.00 -1.03 0.00 0.00 54.13 52.67 1yum s LEU 96 Cb 0.17 -2.49 0.05 0.00 0.03 0.00 0.00 46.19 43.95 1yum s LEU 96 CO 0.74 -0.53 1.08 0.00 0.23 0.00 0.00 176.35 177.87 1yum s ALA 97 N -2.30 2.33 -0.05 4.21 0.00 -1.26 -4.94 121.76 119.75 1yum s ALA 97 Ca 0.47 -0.02 0.30 0.00 0.00 0.00 0.00 51.96 52.70 1yum s ALA 97 Cb -0.08 -3.16 1.02 0.00 0.00 0.00 0.00 23.12 20.90 1yum s ALA 97 CO 0.30 -1.61 1.86 0.00 0.00 0.00 0.00 175.76 176.30 1yum h ALA 98 N -1.01 1.00 -0.02 0.00 0.00 -1.99 -2.86 119.26 114.38 1yum h ALA 98 Ca -0.46 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.43 1yum h ALA 98 Cb 1.24 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.03 1yum h ALA 98 CO 0.57 0.03 -0.11 -0.40 0.00 0.00 0.00 179.25 179.34 1yum n ASP 99 N -3.12 2.06 -4.77 0.00 5.75 -1.26 -4.75 116.55 110.47 1yum n ASP 99 Ca 0.02 -1.60 -0.39 0.00 -0.01 0.00 0.00 54.79 52.80 1yum n ASP 99 Cb 0.39 0.09 -0.02 0.00 -1.03 0.00 0.00 41.12 40.55 1yum n ASP 99 CO 0.00 0.00 0.00 -1.81 -0.11 0.00 0.00 177.20 175.28 1yum s ASP 100 N -2.15 6.66 -0.13 -1.12 1.01 -1.08 -4.44 116.67 115.43 1yum s ASP 100 Ca 0.29 2.50 -0.06 0.00 0.71 0.00 0.00 52.55 56.00 1yum s ASP 100 Cb 0.20 -2.63 -0.04 0.00 1.01 0.00 0.00 42.92 41.46 1yum s ASP 100 CO 0.39 -0.59 0.08 -1.10 0.21 0.00 0.00 175.17 174.16 1yum s GLN 101 N -2.01 3.46 -0.08 8.23 -0.21 0.21 -4.53 119.66 124.72 1yum s GLN 101 Ca 0.53 -0.26 0.05 0.00 0.02 0.00 0.00 55.36 55.70 1yum s GLN 101 Cb -0.35 -3.09 -0.01 0.00 1.00 0.00 0.00 33.01 30.56 1yum s GLN 101 CO 0.45 0.63 -0.23 -1.17 -2.12 0.00 0.00 175.29 172.86 1yum s LEU 102 N -0.64 2.17 -0.11 2.90 2.96 -0.75 -0.99 118.68 124.22 1yum s LEU 102 Ca 0.12 -0.50 0.01 0.00 -0.22 0.00 0.00 54.13 53.55 1yum s LEU 102 Cb -0.12 -1.42 0.02 0.00 0.50 0.00 0.00 46.19 45.17 1yum s LEU 102 CO 0.02 0.21 -0.15 -0.36 -1.32 0.00 0.00 176.35 174.76 1yum s PHE 103 N 0.05 1.98 -0.25 5.38 0.40 -0.22 0.07 117.98 125.38 1yum s PHE 103 Ca -0.09 -0.96 -0.01 0.00 -0.60 0.00 0.00 56.93 55.27 1yum s PHE 103 Cb -0.15 -1.44 0.03 0.00 0.51 0.00 0.00 43.02 41.97 1yum s PHE 103 CO 0.06 -0.50 -0.07 1.41 0.70 0.00 0.00 175.22 176.81 1yum s MET 104 N 1.08 2.72 -0.07 0.44 1.75 -0.04 0.47 119.30 125.65 1yum s MET 104 Ca -0.05 -1.05 -0.29 0.00 -1.25 0.00 0.00 55.69 53.05 1yum s MET 104 Cb -0.14 -2.97 -0.02 0.00 2.84 0.00 0.00 34.83 34.54 1yum s MET 104 CO -0.03 -0.43 0.97 -1.17 -0.65 0.00 0.00 175.02 173.70 1yum s LEU 105 N 1.28 4.29 -0.01 4.11 2.96 0.35 -1.05 118.68 130.61 1yum s LEU 105 Ca -0.01 1.53 0.04 0.00 -0.22 0.00 0.00 54.13 55.47 1yum s LEU 105 Cb -0.17 -3.51 -0.01 0.00 0.50 0.00 0.00 46.19 43.00 1yum s LEU 105 CO -0.05 -0.36 -0.13 -0.63 -1.32 0.00 0.00 176.35 173.86 1yum s ILE 106 N 1.58 1.06 0.39 6.68 -1.09 -0.02 -4.27 121.20 125.54 1yum s ILE 106 Ca 0.48 -0.56 -0.11 0.00 -2.23 0.00 0.00 60.65 58.23 1yum s ILE 106 Cb -0.19 -0.89 -0.07 0.00 -1.58 0.00 0.00 42.46 39.73 1yum s ILE 106 CO 0.21 0.30 0.75 -0.83 -1.23 0.00 0.00 174.94 174.15 1yum s GLY 107 N -0.25 1.98 0.20 6.18 0.00 -1.26 0.21 107.32 114.38 1yum s GLY 107 Ca 0.04 -0.19 -0.11 0.00 0.00 0.00 0.00 44.72 44.45 1yum s GLY 107 CO -0.00 -0.01 1.76 -0.25 0.00 0.00 0.00 173.10 174.60 1yum h TRP 108 N 1.39 0.40 -0.46 1.90 2.91 -1.43 0.73 115.95 121.38 1yum h TRP 108 Ca -0.47 0.03 -0.02 0.00 1.13 0.00 0.00 58.89 59.56 1yum h TRP 108 Cb 1.19 -0.09 -0.02 0.00 -0.51 0.00 0.00 29.16 29.72 1yum h TRP 108 CO 0.61 0.13 0.22 -0.44 -1.03 0.00 0.00 178.44 177.93 1yum h ASP 109 N 0.42 0.57 -0.28 2.65 3.32 -1.92 -0.76 116.42 120.43 1yum h ASP 109 Ca 0.27 -0.05 -0.12 0.00 0.02 0.00 0.00 57.03 57.15 1yum h ASP 109 Cb 0.29 -0.15 -0.00 0.00 0.22 0.00 0.00 39.33 39.69 1yum h ASP 109 CO -0.25 0.49 -0.30 0.00 -1.72 0.00 0.00 179.24 177.46 1yum h ALA 110 N 1.60 0.41 -0.12 3.45 0.00 -1.70 -3.14 119.26 119.77 1yum h ALA 110 Ca 0.16 -0.41 -0.01 0.00 0.00 0.00 0.00 54.91 54.65 1yum h ALA 110 Cb 0.07 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 1yum h ALA 110 CO -0.02 0.43 0.01 0.35 0.00 0.00 0.00 179.25 180.02 1yum h PHE 111 N 0.43 0.16 0.00 0.00 3.57 0.47 -1.02 116.94 120.55 1yum h PHE 111 Ca 0.04 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.54 1yum h PHE 111 Cb 0.87 -0.05 0.00 0.00 2.79 0.00 0.00 35.95 39.56 1yum h PHE 111 CO 0.07 0.17 0.00 0.00 -2.23 0.00 0.00 178.31 176.32 1yum n GLY 113 N -0.26 4.06 0.37 0.00 0.00 -0.39 -4.80 105.19 104.17 1yum n GLY 113 Ca 0.08 -0.74 0.09 0.00 0.00 0.00 0.00 46.02 45.45 1yum n GLY 113 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1yum h LEU 114 N 0.00 0.81 0.00 0.99 5.85 -1.20 0.10 115.31 121.86 1yum h LEU 114 Ca 0.00 0.05 0.00 0.00 0.84 0.00 0.00 57.88 58.77 1yum h LEU 114 Cb 0.86 -0.11 0.00 0.00 0.37 0.00 0.00 40.66 41.78 1yum h LEU 114 CO 0.00 0.41 0.00 -2.65 -0.34 0.00 0.00 178.44 175.86 1yum n PRO 115 N -4.60 0.70 -0.23 5.25 -0.02 -1.26 -0.95 135.00 133.89 1yum n PRO 115 Ca 0.19 0.00 0.10 0.00 -2.02 0.00 0.00 63.50 61.76 1yum n PRO 115 Cb 0.41 -1.47 0.26 0.00 -0.02 0.00 0.00 33.50 32.69 1yum n PRO 115 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 1yum n THR 116 N -0.97 0.59 -3.26 3.45 -2.24 0.35 -4.93 114.28 107.28 1yum n THR 116 Ca 0.16 -0.67 -0.23 0.00 -2.27 0.00 0.00 64.05 61.04 1yum n THR 116 Cb 0.07 0.49 -0.01 0.00 -2.10 0.00 0.00 70.33 68.79 1yum n THR 116 CO 0.00 0.00 0.00 0.26 -0.57 0.00 0.00 175.07 174.76 1yum s TRP 117 N -1.41 3.42 0.05 4.78 0.52 -0.12 -5.06 118.94 121.11 1yum s TRP 117 Ca 0.36 0.31 -0.30 0.00 0.02 0.00 0.00 56.10 56.49 1yum s TRP 117 Cb 0.20 -2.02 -0.05 0.00 -1.15 0.00 0.00 33.47 30.45 1yum s TRP 117 CO 0.27 -0.02 1.16 -1.58 0.02 0.00 0.00 176.95 176.79 1yum s HIS 118 N -2.38 3.48 -1.75 -1.98 5.65 -1.26 -3.12 115.29 113.93 1yum s HIS 118 Ca 0.42 1.38 -0.18 0.00 0.25 0.00 0.00 55.06 56.93 1yum s HIS 118 Cb -0.10 -3.36 0.17 0.00 -1.18 0.00 0.00 32.58 28.11 1yum s HIS 118 CO 0.37 -1.03 0.62 0.54 -0.65 0.00 0.00 174.74 174.59 1yum n ARG 119 N 3.94 -1.94 0.09 2.88 1.74 -1.26 -4.61 116.66 117.50 1yum n ARG 119 Ca 0.08 0.25 0.05 0.00 -0.77 0.00 0.00 57.85 57.46 1yum n ARG 119 Cb 0.47 -4.77 0.26 0.00 -1.02 0.00 0.00 32.46 27.40 1yum n ARG 119 CO 0.00 0.00 0.00 -2.67 -1.52 0.00 0.00 177.63 173.44 1yum n TRP 120 N -4.27 0.32 0.78 -1.55 4.27 -1.18 -1.60 117.44 114.21 1yum n TRP 120 Ca 0.04 0.17 0.12 0.00 -3.89 0.00 0.00 57.50 53.93 1yum n TRP 120 Cb 0.50 -0.66 0.18 0.00 -1.36 0.00 0.00 31.31 29.97 1yum n TRP 120 CO 0.00 0.00 0.00 0.39 -2.29 0.00 0.00 177.69 175.79 1yum n GLU 121 N -1.81 0.15 -0.07 -2.67 1.02 -1.26 -3.36 120.64 112.64 1yum n GLU 121 Ca -0.01 0.03 0.12 0.00 -0.02 0.00 0.00 57.16 57.28 1yum n GLU 121 Cb 0.15 -1.58 0.35 0.00 -0.02 0.00 0.00 31.44 30.34 1yum n GLU 121 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1yum n ALA 122 N -1.67 2.51 0.28 0.62 0.00 -0.63 -4.36 120.51 117.26 1yum n ALA 122 Ca 0.04 -0.60 -0.16 0.00 0.00 0.00 0.00 53.44 52.72 1yum n ALA 122 Cb 0.39 -1.04 -0.08 0.00 0.00 0.00 0.00 19.45 18.72 1yum n ALA 122 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1yum h LEU 123 N 2.95 -0.56 -1.17 0.00 3.38 -1.67 -2.57 115.31 115.67 1yum h LEU 123 Ca 0.00 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.98 1yum h LEU 123 Cb 0.64 0.15 0.00 0.00 0.09 0.00 0.00 40.66 41.53 1yum h LEU 123 CO 0.00 -0.39 0.00 0.18 0.09 0.00 0.00 178.44 178.32 1yum n LEU 124 N -5.37 0.56 0.23 1.67 4.77 -1.26 -1.36 117.00 116.24 1yum n LEU 124 Ca -0.12 0.72 0.16 0.00 -0.03 0.00 0.00 56.01 56.75 1yum n LEU 124 Cb 0.28 -0.75 0.85 0.00 -2.33 0.00 0.00 43.42 41.47 1yum n LEU 124 CO 0.37 -0.82 1.14 0.44 -1.33 0.00 0.00 177.39 177.18 1yum h ASP 125 N 0.00 0.00 0.00 -1.43 5.19 -1.70 -2.25 116.42 116.23 1yum h ASP 125 Ca 0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 1yum h ASP 125 Cb 0.10 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.61 1yum h ASP 125 CO 0.00 0.00 -0.20 1.41 -3.12 0.00 0.00 179.24 177.33 1yum n HIS 126 N -3.85 0.00 -3.94 4.55 8.25 -0.47 -4.83 115.22 114.94 1yum n HIS 126 Ca 0.00 0.00 -0.11 0.00 -0.26 0.00 0.00 57.72 57.36 1yum n HIS 126 Cb 0.25 0.00 -0.02 0.00 1.12 0.00 0.00 29.99 31.35 1yum n HIS 126 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1yum s HIS 128 N -3.03 3.54 -0.19 0.00 0.09 0.11 0.24 115.29 116.06 1yum s HIS 128 Ca 0.21 0.34 -0.07 0.00 -0.00 0.00 0.00 55.06 55.54 1yum s HIS 128 Cb -0.03 -1.82 -0.04 0.00 -0.00 0.00 0.00 32.58 30.69 1yum s HIS 128 CO 0.13 0.62 0.05 0.42 -0.00 0.00 0.00 174.74 175.96 1yum s ILE 129 N -1.41 4.64 -0.31 0.60 1.09 -0.22 -0.86 121.20 124.72 1yum s ILE 129 Ca 0.31 -0.09 -0.04 0.00 -1.10 0.00 0.00 60.65 59.73 1yum s ILE 129 Cb -0.13 -3.09 0.04 0.00 -1.06 0.00 0.00 42.46 38.22 1yum s ILE 129 CO 0.22 0.45 0.05 -0.69 -0.10 0.00 0.00 174.94 174.87 1yum s VAL 130 N 0.48 3.43 -0.25 2.92 1.01 -0.21 -1.80 120.40 125.98 1yum s VAL 130 Ca 0.02 -1.16 -0.16 0.00 0.00 0.00 0.00 61.98 60.69 1yum s VAL 130 Cb -0.13 -2.91 -0.03 0.00 0.00 0.00 0.00 36.38 33.31 1yum s VAL 130 CO 0.01 -0.08 0.42 -0.69 0.00 0.00 0.00 175.10 174.76 1yum s VAL 131 N 1.35 5.15 -0.51 2.92 1.01 -0.84 -0.84 120.40 128.64 1yum s VAL 131 Ca -0.02 0.69 -0.28 0.00 0.00 0.00 0.00 61.98 62.36 1yum s VAL 131 Cb -0.19 -3.74 0.02 0.00 0.00 0.00 0.00 36.38 32.47 1yum s VAL 131 CO 0.01 0.16 1.33 -0.22 0.00 0.00 0.00 175.10 176.38 1yum s LEU 132 N 1.96 3.50 0.06 3.92 1.98 0.13 -1.88 118.68 128.35 1yum s LEU 132 Ca 0.18 0.43 -0.11 0.00 -2.89 0.00 0.00 54.13 51.74 1yum s LEU 132 Cb -0.15 -3.29 -0.06 0.00 0.66 0.00 0.00 46.19 43.35 1yum s LEU 132 CO 0.09 -1.52 0.41 -1.10 -1.89 0.00 0.00 176.35 172.34 1yum s GLN 133 N 5.09 3.81 0.20 1.98 -1.52 -0.15 -1.08 119.66 127.99 1yum s GLN 133 Ca 0.53 0.25 -0.14 0.00 -1.95 0.00 0.00 55.36 54.04 1yum s GLN 133 Cb -0.10 -3.04 0.01 0.00 -0.22 0.00 0.00 33.01 29.66 1yum s GLN 133 CO 0.28 0.59 0.45 -0.98 -0.25 0.00 0.00 175.29 175.38 1yum s ARG 134 N -1.71 1.35 -0.40 2.91 1.70 -1.26 -3.04 118.95 118.49 1yum s ARG 134 Ca 0.31 -1.01 -0.28 0.00 -0.47 0.00 0.00 55.73 54.28 1yum s ARG 134 Cb -0.15 0.47 -0.00 0.00 -0.57 0.00 0.00 34.95 34.71 1yum s ARG 134 CO 0.17 -0.55 1.58 -1.25 -1.08 0.00 0.00 175.30 174.17 1yum s PRO 135 N -3.92 3.42 0.00 3.89 0.04 -1.26 -3.84 135.00 133.32 1yum s PRO 135 Ca 0.13 1.07 0.00 0.00 0.04 0.00 0.00 61.00 62.24 1yum s PRO 135 Cb 0.00 -4.12 0.00 0.00 0.04 0.00 0.00 34.50 30.43 1yum s PRO 135 CO -0.00 -1.76 0.00 -0.25 0.04 0.00 0.00 177.00 175.03 1yum n ASP 136 N 9.63 0.00 -4.42 6.66 9.92 -1.26 -5.04 116.55 132.04 1yum n ASP 136 Ca 0.19 0.00 -0.56 0.00 -0.53 0.00 0.00 54.79 53.88 1yum n ASP 136 Cb 0.48 0.00 -0.09 0.00 -0.64 0.00 0.00 41.12 40.87 1yum n ASP 136 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1yum n ALA 137 N 0.00 0.42 -0.55 2.24 0.00 -1.25 -4.90 120.51 116.46 1yum n ALA 137 Ca 0.00 0.14 -0.07 0.00 0.00 0.00 0.00 53.44 53.51 1yum n ALA 137 Cb 0.00 -2.28 0.12 0.00 0.00 0.00 0.00 19.45 17.29 1yum n ALA 137 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1yum n ASP 138 N 7.95 -2.86 -2.80 0.00 5.75 -1.26 -4.33 116.55 119.00 1yum n ASP 138 Ca 0.44 -0.35 -0.01 0.00 -0.01 0.00 0.00 54.79 54.86 1yum n ASP 138 Cb 0.09 -0.69 0.06 0.00 -1.03 0.00 0.00 41.12 39.55 1yum n ASP 138 CO 0.00 0.00 0.00 -0.24 -0.11 0.00 0.00 177.20 176.85 1yum n SER 139 N -0.56 1.16 -3.79 -1.12 2.88 -1.26 -4.91 113.62 106.02 1yum n SER 139 Ca 0.05 -2.14 -0.30 0.00 -1.33 0.00 0.00 58.87 55.16 1yum n SER 139 Cb 0.24 -0.33 -0.15 0.00 -0.75 0.00 0.00 64.21 63.22 1yum n SER 139 CO 0.00 0.00 0.00 -0.70 -1.23 0.00 0.00 175.04 173.11 1yum s GLU 140 N -3.22 0.91 0.89 -1.46 2.12 -1.26 -5.12 118.70 111.55 1yum s GLU 140 Ca 0.25 -1.08 -0.11 0.00 0.36 0.00 0.00 54.97 54.38 1yum s GLU 140 Cb 0.35 -2.22 0.12 0.00 0.26 0.00 0.00 34.13 32.64 1yum s GLU 140 CO -0.04 -0.89 1.10 -1.25 -0.54 0.00 0.00 175.26 173.63 1yum s PRO 141 N 1.53 1.31 0.69 4.30 0.04 -1.26 -5.01 135.00 136.60 1yum s PRO 141 Ca 0.07 1.04 -0.16 0.00 0.04 0.00 0.00 61.00 61.99 1yum s PRO 141 Cb -0.18 -1.80 0.02 0.00 0.04 0.00 0.00 34.50 32.58 1yum s PRO 141 CO -0.19 -2.26 1.20 -1.25 0.04 0.00 0.00 177.00 174.54 1yum s PRO 142 N -4.84 2.41 0.45 0.56 0.04 -1.26 -4.89 135.00 127.47 1yum s PRO 142 Ca 0.64 1.76 0.20 0.00 0.04 0.00 0.00 61.00 63.64 1yum s PRO 142 Cb -0.19 -1.87 1.18 0.00 0.04 0.00 0.00 34.50 33.66 1yum s PRO 142 CO 0.57 -1.63 1.89 1.49 0.04 0.00 0.00 177.00 179.37 1yum h GLU 143 N 0.04 0.29 -0.94 4.56 4.22 -2.01 -0.58 114.58 120.16 1yum h GLU 143 Ca -0.48 -0.02 0.27 0.00 0.08 0.00 0.00 59.36 59.21 1yum h GLU 143 Cb 1.29 -0.06 -0.04 0.00 0.50 0.00 0.00 28.75 30.44 1yum h GLU 143 CO 0.51 0.19 0.84 0.66 -2.18 0.00 0.00 179.01 179.04 1yum h SER 144 N 0.30 0.00 -0.02 1.04 4.64 -2.00 0.19 113.55 117.69 1yum h SER 144 Ca 0.41 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.73 1yum h SER 144 Cb 1.17 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.26 1yum h SER 144 CO -0.12 0.00 -0.04 0.18 -0.87 0.00 0.00 176.83 175.99 1yum n LEU 145 N -3.78 2.51 -0.16 5.97 4.77 -0.23 -4.67 117.00 121.41 1yum n LEU 145 Ca 0.20 -0.98 -0.08 0.00 -0.03 0.00 0.00 56.01 55.13 1yum n LEU 145 Cb 1.15 0.00 0.01 0.00 -2.33 0.00 0.00 43.42 42.26 1yum n LEU 145 CO 0.32 0.44 1.03 0.03 -1.33 0.00 0.00 177.39 177.88 1yum h ARG 146 N 3.58 0.65 0.00 3.23 -0.00 -0.62 -1.84 114.38 119.37 1yum h ARG 146 Ca 0.00 -0.07 -0.14 0.00 -0.50 0.00 0.00 59.98 59.27 1yum h ARG 146 Cb 0.78 -0.13 -0.02 0.00 0.00 0.00 0.00 29.97 30.59 1yum h ARG 146 CO 0.00 0.49 -0.76 0.22 0.00 0.00 0.00 179.97 179.92 1yum h ASP 147 N 0.63 0.00 0.20 7.04 3.58 -1.83 -1.60 116.42 124.43 1yum h ASP 147 Ca 0.17 0.00 -0.01 0.00 0.42 0.00 0.00 57.03 57.61 1yum h ASP 147 Cb 0.02 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.07 1yum h ASP 147 CO -0.03 0.63 -0.09 0.25 -2.88 0.00 0.00 179.24 177.11 1yum h LEU 148 N 0.00 -0.22 -1.07 2.28 5.85 -1.84 -0.82 115.31 119.50 1yum h LEU 148 Ca -0.03 -0.10 0.06 0.00 0.84 0.00 0.00 57.88 58.64 1yum h LEU 148 Cb 1.51 0.06 -0.06 0.00 0.37 0.00 0.00 40.66 42.53 1yum h LEU 148 CO 0.08 -0.03 0.63 -0.07 -0.34 0.00 0.00 178.44 178.70 1yum h LEU 149 N -0.41 0.99 -0.43 2.25 3.38 -1.26 0.70 115.31 120.54 1yum h LEU 149 Ca -0.03 0.01 -0.01 0.00 0.09 0.00 0.00 57.88 57.94 1yum h LEU 149 Cb 0.31 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.84 1yum h LEU 149 CO 0.04 0.64 0.22 0.00 0.09 0.00 0.00 178.44 179.43 1yum h ALA 150 N 1.47 0.55 0.00 1.53 0.00 -1.12 -0.90 119.26 120.79 1yum h ALA 150 Ca 0.41 -0.10 -0.08 0.00 0.00 0.00 0.00 54.91 55.15 1yum h ALA 150 Cb 0.17 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 1yum h ALA 150 CO -0.16 0.09 -0.49 0.00 0.00 0.00 0.00 179.25 178.70 1yum h ALA 151 N 1.07 0.75 0.00 0.00 0.00 -0.52 -3.41 119.26 117.15 1yum h ALA 151 Ca 0.15 -0.34 0.00 0.00 0.00 0.00 0.00 54.91 54.72 1yum h ALA 151 Cb 0.09 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.86 1yum h ALA 151 CO -0.02 0.44 -0.59 0.54 0.00 0.00 0.00 179.25 179.62 1yum n ARG 152 N -3.12 2.37 -2.81 0.00 5.12 0.18 -5.07 116.66 113.34 1yum n ARG 152 Ca 0.01 0.00 -0.38 0.00 -1.93 0.00 0.00 57.85 55.55 1yum n ARG 152 Cb 0.68 -0.77 -0.06 0.00 -1.16 0.00 0.00 32.46 31.15 1yum n ARG 152 CO 0.00 0.00 0.00 -1.54 -1.93 0.00 0.00 177.63 174.16 1yum s SER 153 N -1.39 7.42 -0.01 0.55 1.04 -0.35 -1.43 113.70 119.52 1yum s SER 153 Ca 0.00 1.83 0.07 0.00 0.48 0.00 0.00 55.95 58.33 1yum s SER 153 Cb 0.00 -2.57 -0.02 0.00 0.10 0.00 0.00 66.02 63.53 1yum s SER 153 CO 0.00 0.03 -0.21 0.68 0.98 0.00 0.00 173.24 174.72 1yum s VAL 154 N -1.44 1.68 -0.00 5.02 -7.23 -0.25 -4.89 120.40 113.28 1yum s VAL 154 Ca 0.46 -0.92 0.11 0.00 -1.81 0.00 0.00 61.98 59.82 1yum s VAL 154 Cb -0.21 -1.40 -0.16 0.00 0.56 0.00 0.00 36.38 35.17 1yum s VAL 154 CO 0.26 0.46 1.06 0.00 -0.31 0.00 0.00 175.10 176.58 1yum h ALA 155 N 5.58 0.57 -2.08 1.32 0.00 -1.97 -3.39 119.26 119.28 1yum h ALA 155 Ca -0.40 -1.00 -0.61 0.00 0.00 0.00 0.00 54.91 52.91 1yum h ALA 155 Cb 1.14 0.11 -0.11 0.00 0.00 0.00 0.00 17.79 18.92 1yum h ALA 155 CO 0.48 1.21 0.44 0.34 0.00 0.00 0.00 179.25 181.71 1yum s ASP 156 N -6.36 6.52 0.63 0.00 2.15 -1.26 -4.73 116.67 113.62 1yum s ASP 156 Ca -0.01 0.23 0.38 0.00 0.43 0.00 0.00 52.55 53.58 1yum s ASP 156 Cb 0.09 -2.41 2.10 0.00 -0.30 0.00 0.00 42.92 42.40 1yum s ASP 156 CO 0.81 -0.85 2.29 1.55 -0.17 0.00 0.00 175.17 178.80 1yum h PRO 157 N 8.71 0.00 0.00 4.34 0.13 -1.85 0.35 132.00 143.68 1yum h PRO 157 Ca -0.24 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.89 1yum h PRO 157 Cb 1.09 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.22 1yum h PRO 157 CO 0.95 0.01 0.00 1.04 -0.23 0.00 0.00 178.00 179.77 1yum n GLN 158 N -3.35 0.11 0.20 0.86 1.13 -1.26 -3.63 117.38 111.43 1yum n GLN 158 Ca -0.03 0.18 0.13 0.00 -1.94 0.00 0.00 57.00 55.35 1yum n GLN 158 Cb 0.10 -1.65 0.34 0.00 0.11 0.00 0.00 30.24 29.15 1yum n GLN 158 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1yum h ALA 159 N 2.64 1.00 -2.48 -1.58 0.00 -0.69 -3.46 119.26 114.69 1yum h ALA 159 Ca 0.00 0.00 -0.55 0.00 0.00 0.00 0.00 54.91 54.36 1yum h ALA 159 Cb 0.49 0.00 0.06 0.00 0.00 0.00 0.00 17.79 18.33 1yum h ALA 159 CO 0.00 0.00 0.95 1.28 0.00 0.00 0.00 179.25 181.48 1yum n LEU 160 N -2.86 3.66 -4.20 0.00 4.77 -1.24 -4.97 117.00 112.16 1yum n LEU 160 Ca 0.04 1.06 -0.22 0.00 -0.03 0.00 0.00 56.01 56.85 1yum n LEU 160 Cb 0.45 -1.51 -0.13 0.00 -2.33 0.00 0.00 43.42 39.89 1yum n LEU 160 CO 0.31 0.00 -0.49 -0.75 -1.33 0.00 0.00 177.39 175.13 1yum s LYS 161 N 1.32 1.10 0.00 3.23 2.20 -1.26 -5.08 119.74 121.24 1yum s LYS 161 Ca 0.78 -0.89 0.00 0.00 -0.36 0.00 0.00 55.97 55.50 1yum s LYS 161 Cb -0.57 -1.18 0.00 0.00 -1.51 0.00 0.00 37.83 34.57 1yum s LYS 161 CO 0.35 0.29 0.00 0.41 -0.36 0.00 0.00 175.35 176.04 1yum n GLY 162 N 1.73 -0.94 0.28 5.54 0.00 -1.26 -4.37 105.19 106.17 1yum n GLY 162 Ca -0.18 -1.66 0.16 0.00 0.00 0.00 0.00 46.02 44.34 1yum n GLY 162 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1yum h PRO 163 N 0.00 0.00 0.00 1.61 0.11 -1.83 -3.44 132.00 128.44 1yum h PRO 163 Ca 0.00 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.11 1yum h PRO 163 Cb 0.00 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.11 1yum h PRO 163 CO 0.00 0.06 0.00 0.41 -0.21 0.00 0.00 178.00 178.26 1yum n GLY 164 N -0.22 -0.48 0.00 -0.55 0.00 -1.26 -1.82 105.19 100.87 1yum n GLY 164 Ca -0.00 -1.06 0.00 0.00 0.00 0.00 0.00 46.02 44.96 1yum n GLY 164 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1yum n GLY 165 N -0.33 1.90 3.66 -0.02 0.00 0.14 -4.77 105.19 105.76 1yum n GLY 165 Ca 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.74 1yum n GLY 165 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1yum s GLN 166 N 0.00 2.04 -0.09 1.61 -0.21 -1.26 -4.85 119.66 116.90 1yum s GLN 166 Ca 0.00 -2.09 0.03 0.00 0.02 0.00 0.00 55.36 53.32 1yum s GLN 166 Cb 0.00 -1.70 0.01 0.00 1.00 0.00 0.00 33.01 32.32 1yum s GLN 166 CO 0.00 -0.11 -0.18 0.42 -2.12 0.00 0.00 175.29 173.31 1yum s ILE 167 N -2.71 1.61 0.38 1.08 1.01 -0.51 -1.06 121.20 120.99 1yum s ILE 167 Ca 0.33 -0.74 0.04 0.00 0.00 0.00 0.00 60.65 60.27 1yum s ILE 167 Cb 0.08 -1.43 -0.04 0.00 0.01 0.00 0.00 42.46 41.07 1yum s ILE 167 CO 0.17 0.46 0.08 0.28 0.00 0.00 0.00 174.94 175.93 1yum s THR 168 N 0.63 0.99 0.02 2.92 -1.32 -0.74 -1.09 115.64 117.05 1yum s THR 168 Ca -0.14 -2.00 0.07 0.00 -1.21 0.00 0.00 61.69 58.41 1yum s THR 168 Cb -0.16 -2.57 -0.03 0.00 -1.51 0.00 0.00 72.50 68.23 1yum s THR 168 CO 0.04 0.00 -0.21 -0.36 -2.21 0.00 0.00 174.62 171.88 1yum s PHE 169 N -3.21 2.48 0.14 9.09 0.40 -1.26 -1.99 117.98 123.63 1yum s PHE 169 Ca 0.29 -0.31 0.05 0.00 -0.60 0.00 0.00 56.93 56.35 1yum s PHE 169 Cb 0.06 -1.48 -0.04 0.00 0.51 0.00 0.00 43.02 42.07 1yum s PHE 169 CO 0.14 0.16 -0.11 0.14 0.70 0.00 0.00 175.22 176.24 1yum s VAL 170 N -0.81 1.21 -0.17 -0.44 -7.23 -0.79 -4.75 120.40 107.44 1yum s VAL 170 Ca 0.13 -1.93 -0.04 0.00 -1.81 0.00 0.00 61.98 58.33 1yum s VAL 170 Cb -0.10 -1.71 -0.03 0.00 0.56 0.00 0.00 36.38 35.10 1yum s VAL 170 CO 0.03 -0.63 -0.03 0.86 -0.31 0.00 0.00 175.10 175.02 1yum s TRP 171 N -2.88 3.03 0.07 2.82 -0.11 -1.26 -0.97 118.94 119.63 1yum s TRP 171 Ca 0.13 -0.33 0.03 0.00 1.22 0.00 0.00 56.10 57.16 1yum s TRP 171 Cb -0.00 -1.99 -0.03 0.00 -1.50 0.00 0.00 33.47 29.95 1yum s TRP 171 CO 0.02 -0.08 -0.10 -0.65 -4.62 0.00 0.00 176.95 171.52 1yum s GLN 172 N 0.50 0.70 -0.79 5.86 -0.21 -1.17 -5.01 119.66 119.54 1yum s GLN 172 Ca -0.03 -0.94 -0.09 0.00 0.02 0.00 0.00 55.36 54.32 1yum s GLN 172 Cb -0.14 -0.48 0.20 0.00 1.00 0.00 0.00 33.01 33.59 1yum s GLN 172 CO 0.03 0.09 0.68 0.95 -2.12 0.00 0.00 175.29 174.92 1yum s THR 173 N -1.74 4.90 0.35 -0.19 -4.23 -1.26 -4.46 115.64 109.00 1yum s THR 173 Ca -0.03 -2.83 -0.26 0.00 -1.18 0.00 0.00 61.69 57.39 1yum s THR 173 Cb -0.07 -4.06 -0.09 0.00 1.34 0.00 0.00 72.50 69.61 1yum s THR 173 CO 0.00 -1.00 1.08 -2.84 -0.54 0.00 0.00 174.62 171.33 1yum s PRO 174 N -0.15 4.37 0.57 3.99 0.02 -1.26 -4.95 135.00 137.58 1yum s PRO 174 Ca 0.19 1.66 -0.20 0.00 0.02 0.00 0.00 61.00 62.68 1yum s PRO 174 Cb -0.13 -2.84 -0.05 0.00 0.02 0.00 0.00 34.50 31.49 1yum s PRO 174 CO -0.07 0.00 1.04 1.28 -0.33 0.00 0.00 177.00 178.92 1yum n LEU 175 N 0.50 3.91 -4.45 -5.54 4.77 -1.26 -4.83 117.00 110.09 1yum n LEU 175 Ca 0.02 0.86 -0.44 0.00 -0.03 0.00 0.00 56.01 56.42 1yum n LEU 175 Cb 0.47 -1.42 -0.02 0.00 -2.33 0.00 0.00 43.42 40.12 1yum n LEU 175 CO 0.49 -1.59 1.02 0.00 -1.33 0.00 0.00 177.39 175.98 1yum s ALA 176 N -1.45 3.45 -0.05 -1.18 0.00 -1.26 -4.81 121.76 116.47 1yum s ALA 176 Ca 0.74 -2.85 0.02 0.00 0.00 0.00 0.00 51.96 49.87 1yum s ALA 176 Cb -0.43 -4.05 0.02 0.00 0.00 0.00 0.00 23.12 18.65 1yum s ALA 176 CO 0.48 -2.94 -0.08 0.08 0.00 0.00 0.00 175.76 173.30 1yum s VAL 177 N 2.50 0.75 0.05 0.00 1.01 -1.26 -5.12 120.40 118.34 1yum s VAL 177 Ca 0.34 -0.27 0.04 0.00 0.00 0.00 0.00 61.98 62.08 1yum s VAL 177 Cb -0.05 -0.72 -0.03 0.00 0.00 0.00 0.00 36.38 35.59 1yum s VAL 177 CO -0.08 0.26 -0.11 -0.94 0.00 0.00 0.00 175.10 174.23 1yum s SER 178 N 0.67 1.23 0.21 3.32 1.04 -1.26 -4.78 113.70 114.13 1yum s SER 178 Ca -0.11 -0.56 -0.08 0.00 0.48 0.00 0.00 55.95 55.68 1yum s SER 178 Cb -0.14 -0.01 0.15 0.00 0.10 0.00 0.00 66.02 66.13 1yum s SER 178 CO 0.01 -0.13 1.78 0.00 0.98 0.00 0.00 173.24 175.88 1yum h ALA 179 N 4.47 1.03 -0.79 5.32 0.00 -1.88 -1.39 119.26 126.02 1yum h ALA 179 Ca -0.38 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.34 1yum h ALA 179 Cb 1.20 -0.31 -0.04 0.00 0.00 0.00 0.00 17.79 18.64 1yum h ALA 179 CO 0.41 0.66 0.51 1.15 0.00 0.00 0.00 179.25 181.98 1yum h THR 180 N 1.15 1.21 -0.61 0.00 2.02 -1.96 0.22 112.91 114.94 1yum h THR 180 Ca 0.26 -0.41 -0.07 0.00 0.77 0.00 0.00 66.41 66.96 1yum h THR 180 Cb 0.22 0.06 -0.02 0.00 -1.74 0.00 0.00 68.15 66.67 1yum h THR 180 CO -0.02 0.21 0.09 -0.61 0.37 0.00 0.00 175.52 175.56 1yum h GLN 181 N 1.08 1.02 -0.61 6.66 4.15 -1.93 -1.71 115.11 123.77 1yum h GLN 181 Ca 0.29 -0.28 -0.10 0.00 0.77 0.00 0.00 58.65 59.34 1yum h GLN 181 Cb -0.10 -0.12 -0.02 0.00 0.21 0.00 0.00 27.48 27.45 1yum h GLN 181 CO -0.06 0.96 0.01 0.82 -1.93 0.00 0.00 178.83 178.62 1yum h ILE 182 N 0.93 1.27 -0.77 2.39 1.08 -0.85 -1.68 117.51 119.87 1yum h ILE 182 Ca 0.19 -1.15 0.01 0.00 -0.39 0.00 0.00 64.86 63.52 1yum h ILE 182 Cb 0.43 0.78 -0.04 0.00 -3.07 0.00 0.00 36.82 34.93 1yum h ILE 182 CO 0.01 0.42 0.51 0.03 -0.69 0.00 0.00 178.15 178.43 1yum h ARG 183 N 0.98 1.01 -0.67 2.37 3.08 -0.80 -1.66 114.38 118.68 1yum h ARG 183 Ca 0.17 -0.06 -0.01 0.00 0.07 0.00 0.00 59.98 60.15 1yum h ARG 183 Cb 0.55 -0.23 -0.03 0.00 0.08 0.00 0.00 29.97 30.34 1yum h ARG 183 CO 0.03 0.67 0.37 0.00 -1.07 0.00 0.00 179.97 179.96 1yum h ALA 184 N 1.29 0.86 -0.54 0.04 0.00 -1.02 -1.59 119.26 118.30 1yum h ALA 184 Ca 0.29 -0.11 -0.02 0.00 0.00 0.00 0.00 54.91 55.07 1yum h ALA 184 Cb -0.10 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.39 1yum h ALA 184 CO -0.07 0.38 0.26 -0.07 0.00 0.00 0.00 179.25 179.75 1yum h LEU 185 N 0.92 0.70 -0.43 0.00 3.38 -0.80 -2.54 115.31 116.55 1yum h LEU 185 Ca 0.24 -0.13 -0.03 0.00 0.09 0.00 0.00 57.88 58.05 1yum h LEU 185 Cb 0.04 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.59 1yum h LEU 185 CO -0.04 0.63 0.14 -0.07 0.09 0.00 0.00 178.44 179.20 1yum h LEU 186 N 0.72 0.62 -1.58 1.67 3.38 -1.20 0.14 115.31 119.07 1yum h LEU 186 Ca 0.19 -0.20 0.15 0.00 0.09 0.00 0.00 57.88 58.10 1yum h LEU 186 Cb 0.11 -0.16 -0.05 0.00 0.09 0.00 0.00 40.66 40.65 1yum h LEU 186 CO -0.02 0.65 0.50 1.23 0.09 0.00 0.00 178.44 180.89 1yum h GLY 187 N 0.55 0.71 -1.89 0.83 0.00 -1.12 0.13 103.07 102.29 1yum h GLY 187 Ca 0.14 -0.18 0.00 0.00 0.00 0.00 0.00 47.33 47.29 1yum h GLY 187 CO -0.01 0.06 0.00 0.00 0.00 0.00 0.00 176.54 176.60 1yum n ALA 188 N -2.52 2.76 -1.90 3.60 0.00 -0.88 -3.80 120.51 117.77 1yum n ALA 188 Ca 0.14 -0.87 -0.14 0.00 0.00 0.00 0.00 53.44 52.57 1yum n ALA 188 Cb 0.52 -1.01 -0.03 0.00 0.00 0.00 0.00 19.45 18.93 1yum n ALA 188 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1yum n GLY 189 N 0.86 0.52 3.97 0.00 0.00 0.45 -5.00 105.19 105.99 1yum n GLY 189 Ca 0.15 -0.31 -0.21 0.00 0.00 0.00 0.00 46.02 45.64 1yum n GLY 189 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1yum s ARG 190 N -4.06 3.44 -0.12 1.61 0.52 0.44 -5.00 118.95 115.78 1yum s ARG 190 Ca 0.00 -0.75 -0.29 0.00 -0.52 0.00 0.00 55.73 54.16 1yum s ARG 190 Cb 0.00 -2.89 -0.01 0.00 0.52 0.00 0.00 34.95 32.57 1yum s ARG 190 CO 0.00 0.44 1.06 0.45 0.02 0.00 0.00 175.30 177.26 1yum s SER 191 N -3.94 7.18 -0.30 0.23 0.15 -1.26 -4.14 113.70 111.62 1yum s SER 191 Ca 0.34 1.56 0.11 0.00 0.70 0.00 0.00 55.95 58.66 1yum s SER 191 Cb -0.09 -2.55 0.76 0.00 -1.71 0.00 0.00 66.02 62.42 1yum s SER 191 CO 0.29 -0.52 1.78 1.33 1.20 0.00 0.00 173.24 177.32 1yum n VAL 192 N 4.72 2.88 -1.66 4.45 0.24 -1.26 -4.98 118.33 122.72 1yum n VAL 192 Ca 0.10 -1.63 -0.46 0.00 -2.04 0.00 0.00 64.34 60.31 1yum n VAL 192 Cb 0.48 -0.34 -0.04 0.00 -1.47 0.00 0.00 33.84 32.48 1yum n VAL 192 CO 0.00 0.00 0.00 -1.14 -2.14 0.00 0.00 176.83 173.55 1yum n ARG 193 N -0.02 2.00 -0.96 7.34 0.63 -1.26 -1.33 116.66 123.05 1yum n ARG 193 Ca 0.37 0.72 0.00 0.00 -0.92 0.00 0.00 57.85 58.02 1yum n ARG 193 Cb 1.32 -2.42 0.00 0.00 0.45 0.00 0.00 32.46 31.82 1yum n ARG 193 CO 0.00 0.00 0.00 1.19 -2.51 0.00 0.00 177.63 176.31 1yum n PHE 194 N 2.59 0.00 0.52 -0.14 0.99 -1.26 -4.79 117.46 115.37 1yum n PHE 194 Ca 0.14 0.00 0.10 0.00 -0.00 0.00 0.00 57.45 57.69 1yum n PHE 194 Cb 0.29 -0.37 -0.13 0.00 -1.00 0.00 0.00 39.48 38.27 1yum n PHE 194 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.76 178.04 1yum n LEU 195 N 0.00 0.52 -4.10 4.37 4.77 -0.44 -4.95 117.00 117.16 1yum n LEU 195 Ca 0.00 -0.28 -0.09 0.00 -0.03 0.00 0.00 56.01 55.61 1yum n LEU 195 Cb 0.07 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.05 1yum n LEU 195 CO 0.00 0.13 -0.37 0.68 -1.33 0.00 0.00 177.39 176.50 1yum s VAL 196 N -3.09 0.40 0.32 4.08 -7.23 -1.24 -1.98 120.40 111.67 1yum s VAL 196 Ca 0.01 -1.66 -0.29 0.00 -1.81 0.00 0.00 61.98 58.23 1yum s VAL 196 Cb 0.14 -1.32 -0.12 0.00 0.56 0.00 0.00 36.38 35.64 1yum s VAL 196 CO 0.82 -0.83 1.32 -2.65 -0.31 0.00 0.00 175.10 173.45 1yum n PRO 197 N 0.39 2.14 -0.14 4.82 -0.02 -1.26 -4.72 135.00 136.21 1yum n PRO 197 Ca -0.16 0.75 0.17 0.00 -2.02 0.00 0.00 63.50 62.25 1yum n PRO 197 Cb 0.59 -2.36 0.55 0.00 -0.02 0.00 0.00 33.50 32.27 1yum n PRO 197 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 1yum h ASP 198 N 2.89 0.30 0.54 2.55 3.32 -1.99 0.16 116.42 124.18 1yum h ASP 198 Ca -0.46 0.02 -0.12 0.00 0.02 0.00 0.00 57.03 56.49 1yum h ASP 198 Cb 1.28 -0.04 -0.02 0.00 0.22 0.00 0.00 39.33 40.77 1yum h ASP 198 CO 0.65 0.15 -0.55 0.00 -1.72 0.00 0.00 179.24 177.77 1yum h ALA 199 N 1.66 1.08 -0.10 3.45 0.00 -1.90 -2.15 119.26 121.30 1yum h ALA 199 Ca 0.36 -0.50 -0.18 0.00 0.00 0.00 0.00 54.91 54.59 1yum h ALA 199 Cb 0.93 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 18.64 1yum h ALA 199 CO -0.09 0.69 -0.63 0.28 0.00 0.00 0.00 179.25 179.50 1yum h VAL 200 N 0.01 1.34 -0.62 0.00 2.07 -1.14 -2.10 116.25 115.81 1yum h VAL 200 Ca -0.01 -1.92 0.13 0.00 0.82 0.00 0.00 66.70 65.72 1yum h VAL 200 Cb 0.98 2.19 -0.10 0.00 -1.52 0.00 0.00 31.29 32.84 1yum h VAL 200 CO 0.07 0.59 0.05 0.25 0.02 0.00 0.00 177.57 178.55 1yum h LEU 201 N 0.24 -0.17 -0.77 2.57 5.85 -0.78 0.23 115.31 122.47 1yum h LEU 201 Ca -0.05 0.14 -0.11 0.00 0.84 0.00 0.00 57.88 58.70 1yum h LEU 201 Cb 1.28 0.23 -0.01 0.00 0.37 0.00 0.00 40.66 42.53 1yum h LEU 201 CO 0.13 -0.07 -0.28 0.78 -0.34 0.00 0.00 178.44 178.65 1yum h ASN 202 N 0.17 0.63 -0.27 1.25 2.35 -1.28 0.13 115.58 118.55 1yum h ASN 202 Ca 0.33 -0.23 -0.09 0.00 -0.55 0.00 0.00 56.30 55.76 1yum h ASN 202 Cb 0.52 -0.17 -0.01 0.00 0.05 0.00 0.00 38.32 38.71 1yum h ASN 202 CO -0.49 0.88 -0.17 0.22 -1.65 0.00 0.00 177.43 176.22 1yum h TYR 203 N 0.53 0.68 -0.76 1.19 5.03 -0.99 -0.05 116.97 122.61 1yum h TYR 203 Ca 0.07 -0.18 -0.05 0.00 2.58 0.00 0.00 58.73 61.15 1yum h TYR 203 Cb 0.76 -0.15 -0.03 0.00 1.55 0.00 0.00 36.73 38.85 1yum h TYR 203 CO 0.03 0.86 0.29 0.82 -1.32 0.00 0.00 178.16 178.83 1yum h ILE 204 N 0.31 1.26 -0.14 1.81 2.04 0.15 -1.50 117.51 121.44 1yum h ILE 204 Ca 0.05 -0.83 -0.22 0.00 1.00 0.00 0.00 64.86 64.86 1yum h ILE 204 Cb 0.70 0.38 0.01 0.00 -0.74 0.00 0.00 36.82 37.16 1yum h ILE 204 CO 0.05 0.34 -0.77 -0.33 0.00 0.00 0.00 178.15 177.43 1yum h GLU 205 N 1.10 0.71 -0.78 2.37 5.08 -0.74 -0.43 114.58 121.90 1yum h GLU 205 Ca 0.25 -0.58 -0.01 0.00 -1.00 0.00 0.00 59.36 58.02 1yum h GLU 205 Cb 0.24 0.12 -0.04 0.00 0.50 0.00 0.00 28.75 29.57 1yum h GLU 205 CO -0.02 1.20 0.46 0.00 -1.00 0.00 0.00 179.01 179.64 1yum h ALA 206 N 0.64 1.00 -0.36 3.43 0.00 -0.78 -2.87 119.26 120.31 1yum h ALA 206 Ca -0.05 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.76 1yum h ALA 206 Cb 1.39 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 18.87 1yum h ALA 206 CO 0.15 0.48 0.00 0.72 0.00 0.00 0.00 179.25 180.61 1yum n HIS 207 N -4.46 0.47 -3.90 0.00 8.25 -0.58 -4.96 115.22 110.03 1yum n HIS 207 Ca 0.07 -0.23 -0.27 0.00 -0.26 0.00 0.00 57.72 57.02 1yum n HIS 207 Cb 0.07 0.00 0.01 0.00 1.12 0.00 0.00 29.99 31.19 1yum n HIS 207 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 1yum n HIS 208 N 1.16 -2.00 -2.57 4.41 -0.00 -0.52 -4.94 115.22 110.77 1yum n HIS 208 Ca 0.19 0.85 -0.33 0.00 -0.00 0.00 0.00 57.72 58.42 1yum n HIS 208 Cb 0.52 -3.93 -0.04 0.00 -0.00 0.00 0.00 29.99 26.54 1yum n HIS 208 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.34 175.83 1yum s LEU 209 N -7.05 3.81 -1.65 2.41 1.43 -0.28 -3.63 118.68 113.72 1yum s LEU 209 Ca 0.36 1.79 0.00 0.00 -1.03 0.00 0.00 54.13 55.25 1yum s LEU 209 Cb -0.18 -4.54 0.00 0.00 0.03 0.00 0.00 46.19 41.49 1yum s LEU 209 CO 0.85 -0.65 0.00 -1.22 0.23 0.00 0.00 176.35 175.56 1yum n TYR 210 N -1.04 -0.37 -2.87 0.29 4.02 -1.26 -4.93 117.16 111.01 1yum n TYR 210 Ca 0.08 0.00 -0.40 0.00 -0.01 0.00 0.00 57.90 57.57 1yum n TYR 210 Cb 0.53 -3.16 -0.06 0.00 -0.02 0.00 0.00 39.34 36.64 1yum n TYR 210 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 176.86 176.88 1yum s ARG 211 N -4.08 4.71 -0.39 -0.72 0.52 -1.24 -2.80 118.95 114.95 1yum s ARG 211 Ca 0.00 1.32 -0.41 0.00 -0.52 0.00 0.00 55.73 56.12 1yum s ARG 211 Cb 0.00 -3.27 -0.18 0.00 0.52 0.00 0.00 34.95 32.02 1yum s ARG 211 CO 0.00 0.54 1.36 0.00 0.02 0.00 0.00 175.30 177.22 1yum n ALA 212 N 1.58 -1.46 0.00 2.13 0.00 -1.25 -4.95 120.51 116.56 1yum n ALA 212 Ca -0.04 0.45 0.00 0.00 0.00 0.00 0.00 53.44 53.86 1yum n ALA 212 Cb 0.48 -1.68 0.00 0.00 0.00 0.00 0.00 19.45 18.25 1yum n ALA 212 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20