#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bay s PRO 2 N 0.00 1.26 -0.07 0.54 0.02 -1.26 -3.78 135.00 131.71 1bay s PRO 2 Ca 0.00 1.26 0.03 0.00 0.02 0.00 0.00 61.00 62.30 1bay s PRO 2 Cb 0.00 -1.78 -0.02 0.00 0.02 0.00 0.00 34.50 32.72 1bay s PRO 2 CO 0.00 -2.37 -0.14 0.71 -0.33 0.00 0.00 177.00 174.87 1bay s TYR 3 N -2.75 2.73 0.00 6.54 2.02 -1.26 -1.43 117.35 123.20 1bay s TYR 3 Ca 0.65 -0.30 0.00 0.00 -0.37 0.00 0.00 57.07 57.05 1bay s TYR 3 Cb -0.20 -1.69 -0.00 0.00 -0.40 0.00 0.00 41.96 39.66 1bay s TYR 3 CO 0.58 0.07 -0.01 0.99 -1.57 0.00 0.00 175.55 175.61 1bay s THR 4 N -0.43 0.09 -0.16 -0.71 2.01 -0.76 -0.98 115.64 114.70 1bay s THR 4 Ca 0.05 -0.15 0.01 0.00 0.31 0.00 0.00 61.69 61.91 1bay s THR 4 Cb -0.12 -0.10 0.02 0.00 0.01 0.00 0.00 72.50 72.31 1bay s THR 4 CO 0.02 -0.04 -0.16 -0.63 -0.69 0.00 0.00 174.62 173.12 1bay s ILE 5 N -0.19 1.79 -0.24 1.82 1.01 0.51 -1.45 121.20 124.44 1bay s ILE 5 Ca -0.01 -0.78 -0.08 0.00 0.00 0.00 0.00 60.65 59.77 1bay s ILE 5 Cb -0.02 -1.65 -0.04 0.00 0.01 0.00 0.00 42.46 40.76 1bay s ILE 5 CO -0.00 0.48 0.10 -0.69 0.00 0.00 0.00 174.94 174.83 1bay s VAL 6 N 1.40 4.72 0.11 2.92 1.01 -0.14 -0.14 120.40 130.28 1bay s VAL 6 Ca 0.05 -0.04 -0.26 0.00 0.00 0.00 0.00 61.98 61.73 1bay s VAL 6 Cb -0.13 -3.20 0.08 0.00 0.00 0.00 0.00 36.38 33.12 1bay s VAL 6 CO -0.12 0.34 0.94 -0.47 0.00 0.00 0.00 175.10 175.80 1bay s TYR 7 N 1.35 -0.19 0.77 5.22 5.04 -0.70 -1.84 117.35 126.99 1bay s TYR 7 Ca 0.06 -0.06 -0.11 0.00 -2.44 0.00 0.00 57.07 54.52 1bay s TYR 7 Cb -0.15 0.61 0.05 0.00 0.35 0.00 0.00 41.96 42.83 1bay s TYR 7 CO 0.05 -0.74 1.10 -0.06 -1.34 0.00 0.00 175.55 174.56 1bay s PHE 8 N -3.23 2.52 -1.39 4.97 0.08 -1.25 -1.66 117.98 118.02 1bay s PHE 8 Ca 0.10 1.57 -0.13 0.00 0.12 0.00 0.00 56.93 58.59 1bay s PHE 8 Cb -0.01 -3.09 -0.02 0.00 -0.57 0.00 0.00 43.02 39.33 1bay s PHE 8 CO -0.01 -1.85 2.39 -0.35 -0.10 0.00 0.00 175.22 175.30 1bay n PRO 9 N -3.41 2.88 -4.03 0.24 -0.04 -1.24 -4.82 135.00 124.58 1bay n PRO 9 Ca 0.09 -2.33 -0.09 0.00 -0.04 0.00 0.00 63.50 61.13 1bay n PRO 9 Cb 0.53 -3.06 -0.08 0.00 -0.04 0.00 0.00 33.50 30.85 1bay n PRO 9 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 1bay s VAL 10 N 3.14 0.09 -0.07 0.52 -7.23 -1.26 -4.34 120.40 111.25 1bay s VAL 10 Ca 0.54 -1.60 -0.20 0.00 -1.81 0.00 0.00 61.98 58.92 1bay s VAL 10 Cb 0.15 -1.86 -0.15 0.00 0.56 0.00 0.00 36.38 35.07 1bay s VAL 10 CO -0.05 -0.43 0.76 0.03 -0.31 0.00 0.00 175.10 175.10 1bay h ARG 11 N 2.72 -0.16 0.00 4.82 3.08 -0.58 -3.46 114.38 120.80 1bay h ARG 11 Ca -0.33 0.01 0.00 0.00 0.07 0.00 0.00 59.98 59.73 1bay h ARG 11 Cb 1.21 0.04 0.00 0.00 0.08 0.00 0.00 29.97 31.30 1bay h ARG 11 CO 0.54 0.29 0.00 0.41 -1.07 0.00 0.00 179.97 180.14 1bay n GLY 12 N 0.86 1.37 0.07 0.04 0.00 0.24 -1.61 105.19 106.16 1bay n GLY 12 Ca -0.07 0.05 0.08 0.00 0.00 0.00 0.00 46.02 46.08 1bay n GLY 12 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1bay n ARG 13 N 7.82 1.09 -0.00 1.61 1.74 -1.26 -3.94 116.66 123.72 1bay n ARG 13 Ca 0.00 -0.14 0.06 0.00 -0.77 0.00 0.00 57.85 57.00 1bay n ARG 13 Cb 0.00 -1.24 -0.08 0.00 -1.02 0.00 0.00 32.46 30.11 1bay n ARG 13 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1bay h GLU 15 N 0.00 0.20 -0.22 0.00 4.39 -1.59 -1.31 114.58 116.05 1bay h GLU 15 Ca 0.00 -0.02 -0.03 0.00 0.34 0.00 0.00 59.36 59.66 1bay h GLU 15 Cb 0.44 -0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 29.04 1bay h GLU 15 CO 0.00 0.17 0.04 0.00 -1.16 0.00 0.00 179.01 178.05 1bay h ALA 16 N 1.87 0.29 -0.03 3.43 0.00 -1.83 -1.35 119.26 121.63 1bay h ALA 16 Ca 0.05 -0.17 -0.11 0.00 0.00 0.00 0.00 54.91 54.68 1bay h ALA 16 Cb 0.05 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 1bay h ALA 16 CO -0.01 -0.04 -0.47 0.00 0.00 0.00 0.00 179.25 178.73 1bay h MET 17 N 0.16 0.08 -0.36 0.00 -0.00 -1.75 -1.88 114.93 111.17 1bay h MET 17 Ca 0.07 -0.04 -0.09 0.00 -0.00 0.00 0.00 59.70 59.64 1bay h MET 17 Cb 0.32 0.00 -0.01 0.00 -0.00 0.00 0.00 31.60 31.91 1bay h MET 17 CO 0.00 0.54 -0.12 0.00 -0.00 0.00 0.00 176.91 177.33 1bay h ARG 18 N 0.06 0.73 -0.48 -0.10 3.08 -1.12 -1.20 114.38 115.35 1bay h ARG 18 Ca 0.00 -0.29 -0.08 0.00 0.07 0.00 0.00 59.98 59.68 1bay h ARG 18 Cb 0.86 -0.03 -0.02 0.00 0.08 0.00 0.00 29.97 30.86 1bay h ARG 18 CO 0.07 0.90 -0.03 0.52 -1.07 0.00 0.00 179.97 180.35 1bay h MET 19 N 0.52 0.82 -0.06 0.04 2.86 -1.13 -1.29 114.93 116.68 1bay h MET 19 Ca 0.09 -0.24 -0.00 0.00 -2.06 0.00 0.00 59.70 57.49 1bay h MET 19 Cb 0.65 -0.09 -0.00 0.00 0.06 0.00 0.00 31.60 32.22 1bay h MET 19 CO 0.04 0.84 0.03 1.25 1.06 0.00 0.00 176.91 180.14 1bay h LEU 20 N 0.76 0.08 -0.36 1.22 6.46 -1.14 0.12 115.31 122.44 1bay h LEU 20 Ca 0.14 -0.09 -0.03 0.00 -0.12 0.00 0.00 57.88 57.78 1bay h LEU 20 Cb 0.50 -0.02 -0.02 0.00 -0.73 0.00 0.00 40.66 40.39 1bay h LEU 20 CO 0.03 0.15 0.11 -0.07 -0.62 0.00 0.00 178.44 178.04 1bay h LEU 21 N 0.00 0.53 0.06 2.25 3.38 -1.10 -1.26 115.31 119.17 1bay h LEU 21 Ca 0.02 -0.21 0.01 0.00 0.09 0.00 0.00 57.88 57.80 1bay h LEU 21 Cb 0.09 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 40.68 1bay h LEU 21 CO -0.00 0.59 -0.14 0.00 0.09 0.00 0.00 178.44 178.98 1bay h ALA 22 N 0.95 -0.22 0.00 1.53 0.00 -1.14 -0.27 119.26 120.12 1bay h ALA 22 Ca 0.12 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 1bay h ALA 22 Cb 0.25 0.23 -0.00 0.00 0.00 0.00 0.00 17.79 18.27 1bay h ALA 22 CO -0.00 -0.65 -0.05 0.22 0.00 0.00 0.00 179.25 178.76 1bay h ASP 23 N -0.27 0.00 -0.42 0.00 3.58 -0.62 0.16 116.42 118.85 1bay h ASP 23 Ca 0.03 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.48 1bay h ASP 23 Cb 0.30 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.35 1bay h ASP 23 CO -0.10 0.05 0.00 0.00 -2.88 0.00 0.00 179.24 176.31 1bay n GLN 24 N -3.83 2.14 -2.94 0.28 1.13 -0.49 -4.94 117.38 108.73 1bay n GLN 24 Ca -0.03 -1.75 -0.21 0.00 -1.94 0.00 0.00 57.00 53.08 1bay n GLN 24 Cb 0.14 -1.41 0.03 0.00 0.11 0.00 0.00 30.24 29.11 1bay n GLN 24 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1bay n GLY 25 N 1.30 -0.44 3.88 1.08 0.00 0.57 -5.01 105.19 106.57 1bay n GLY 25 Ca 0.17 0.07 -0.27 0.00 0.00 0.00 0.00 46.02 45.99 1bay n GLY 25 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1bay s GLN 26 N -5.60 3.22 0.21 1.61 -1.52 -0.18 -5.03 119.66 112.37 1bay s GLN 26 Ca 0.27 -0.69 0.07 0.00 -1.95 0.00 0.00 55.36 53.06 1bay s GLN 26 Cb -0.12 -2.85 -0.04 0.00 -0.22 0.00 0.00 33.01 29.79 1bay s GLN 26 CO 0.34 0.52 0.13 -1.12 -0.25 0.00 0.00 175.29 174.90 1bay s SER 27 N -3.08 5.32 0.22 5.90 0.01 -1.26 -4.40 113.70 116.41 1bay s SER 27 Ca 0.33 -0.26 -0.22 0.00 1.31 0.00 0.00 55.95 57.11 1bay s SER 27 Cb -0.11 -1.31 0.04 0.00 0.21 0.00 0.00 66.02 64.85 1bay s SER 27 CO 0.26 0.03 0.68 -1.66 0.41 0.00 0.00 173.24 172.96 1bay s TRP 28 N -1.94 -0.34 -0.06 2.43 -2.14 -1.26 -4.37 118.94 111.25 1bay s TRP 28 Ca 0.31 -0.00 0.04 0.00 2.66 0.00 0.00 56.10 59.11 1bay s TRP 28 Cb -0.09 0.64 -0.02 0.00 -3.10 0.00 0.00 33.47 30.90 1bay s TRP 28 CO 0.23 -1.05 -0.17 0.15 -2.66 0.00 0.00 176.95 173.45 1bay s LYS 29 N -3.81 2.66 -0.14 3.25 1.02 -0.16 -4.99 119.74 117.57 1bay s LYS 29 Ca 0.07 -0.76 -0.08 0.00 0.02 0.00 0.00 55.97 55.21 1bay s LYS 29 Cb -0.04 -2.35 -0.04 0.00 -0.52 0.00 0.00 37.83 34.88 1bay s LYS 29 CO -0.02 0.48 0.15 -1.21 -0.92 0.00 0.00 175.35 173.83 1bay s GLU 30 N -0.38 3.71 -0.33 1.68 0.41 -1.26 -0.36 118.70 122.17 1bay s GLU 30 Ca 0.03 -0.14 0.02 0.00 -0.41 0.00 0.00 54.97 54.48 1bay s GLU 30 Cb -0.12 -3.27 0.10 0.00 -1.78 0.00 0.00 34.13 29.06 1bay s GLU 30 CO 0.02 0.61 0.06 -2.00 -0.49 0.00 0.00 175.26 173.47 1bay s GLU 31 N -0.56 1.21 0.08 1.61 2.12 0.81 -4.93 118.70 119.04 1bay s GLU 31 Ca 0.13 -1.57 -0.30 0.00 0.36 0.00 0.00 54.97 53.59 1bay s GLU 31 Cb -0.12 -2.75 -0.05 0.00 0.26 0.00 0.00 34.13 31.47 1bay s GLU 31 CO 0.02 -0.95 0.99 0.08 -0.54 0.00 0.00 175.26 174.86 1bay s VAL 32 N 1.17 4.55 0.12 3.70 1.01 -1.26 -1.72 120.40 127.97 1bay s VAL 32 Ca 0.10 2.01 0.05 0.00 0.00 0.00 0.00 61.98 64.15 1bay s VAL 32 Cb -0.18 -4.29 -0.04 0.00 0.00 0.00 0.00 36.38 31.87 1bay s VAL 32 CO -0.14 0.26 -0.13 -0.69 0.00 0.00 0.00 175.10 174.39 1bay s VAL 33 N 0.34 1.26 -0.41 2.92 1.01 -0.67 -4.94 120.40 119.91 1bay s VAL 33 Ca 0.49 -1.73 0.10 0.00 0.00 0.00 0.00 61.98 60.85 1bay s VAL 33 Cb -0.23 -1.52 0.41 0.00 0.00 0.00 0.00 36.38 35.04 1bay s VAL 33 CO 0.30 -0.46 0.98 0.35 0.00 0.00 0.00 175.10 176.26 1bay n THR 34 N 0.49 1.66 -3.75 3.92 -2.24 -1.26 -3.66 114.28 109.44 1bay n THR 34 Ca -0.15 -4.36 -0.33 0.00 -2.27 0.00 0.00 64.05 56.93 1bay n THR 34 Cb 0.57 -0.50 -0.05 0.00 -2.10 0.00 0.00 70.33 68.25 1bay n THR 34 CO 0.00 0.00 0.00 -1.58 -0.57 0.00 0.00 175.07 172.92 1bay s GLN 51 N -3.23 3.58 0.74 -0.78 2.00 -1.26 -5.12 119.66 115.59 1bay s GLN 51 Ca 0.40 -0.12 -0.14 0.00 -2.00 0.00 0.00 55.36 53.50 1bay s GLN 51 Cb 0.39 -3.01 0.04 0.00 0.80 0.00 0.00 33.01 31.24 1bay s GLN 51 CO -0.09 0.59 1.19 -0.51 -0.50 0.00 0.00 175.29 175.97 1bay s LEU 52 N -2.12 3.28 0.45 3.68 1.43 -1.26 -4.48 118.68 119.65 1bay s LEU 52 Ca 0.33 2.29 -0.21 0.00 -1.03 0.00 0.00 54.13 55.50 1bay s LEU 52 Cb -0.13 -4.58 -0.10 0.00 0.03 0.00 0.00 46.19 41.41 1bay s LEU 52 CO 0.20 -2.26 0.99 -2.16 0.23 0.00 0.00 176.35 173.36 1bay s PRO 53 N -4.02 4.07 -0.06 1.29 0.04 -1.26 -4.89 135.00 130.17 1bay s PRO 53 Ca 0.72 1.25 -0.01 0.00 0.04 0.00 0.00 61.00 63.00 1bay s PRO 53 Cb -0.27 -2.20 -0.03 0.00 0.04 0.00 0.00 34.50 32.04 1bay s PRO 53 CO 0.46 -0.18 0.00 0.21 0.04 0.00 0.00 177.00 177.53 1bay s LYS 54 N -3.11 2.94 -0.01 4.56 2.20 -0.77 -3.82 119.74 121.73 1bay s LYS 54 Ca 0.63 -0.46 0.02 0.00 -0.36 0.00 0.00 55.97 55.81 1bay s LYS 54 Cb -0.13 -2.76 -0.00 0.00 -1.51 0.00 0.00 37.83 33.42 1bay s LYS 54 CO 0.17 0.68 -0.06 0.12 -0.36 0.00 0.00 175.35 175.90 1bay s PHE 55 N -0.93 0.58 -0.05 4.03 5.36 -0.04 -0.96 117.98 125.96 1bay s PHE 55 Ca 0.15 -0.11 0.05 0.00 -0.96 0.00 0.00 56.93 56.06 1bay s PHE 55 Cb -0.11 -0.38 -0.01 0.00 -0.34 0.00 0.00 43.02 42.18 1bay s PHE 55 CO 0.04 -0.01 -0.21 -1.21 -1.46 0.00 0.00 175.22 172.36 1bay s GLU 56 N -0.12 2.22 -0.41 10.12 2.02 -0.53 -0.21 118.70 131.79 1bay s GLU 56 Ca 0.02 -0.77 0.01 0.00 0.02 0.00 0.00 54.97 54.25 1bay s GLU 56 Cb -0.03 -1.89 0.14 0.00 0.10 0.00 0.00 34.13 32.45 1bay s GLU 56 CO -0.00 0.31 0.23 0.34 0.02 0.00 0.00 175.26 176.16 1bay s ASP 57 N -0.05 3.39 1.77 -0.19 2.15 0.35 -1.82 116.67 122.27 1bay s ASP 57 Ca -0.04 -2.48 0.00 0.00 0.43 0.00 0.00 52.55 50.46 1bay s ASP 57 Cb -0.13 -0.81 0.00 0.00 -0.30 0.00 0.00 42.92 41.68 1bay s ASP 57 CO 0.03 -0.28 0.00 0.61 -0.17 0.00 0.00 175.17 175.36 1bay n GLY 58 N 3.70 3.29 0.00 2.66 0.00 -0.52 -1.70 105.19 112.62 1bay n GLY 58 Ca 0.10 -0.13 0.12 0.00 0.00 0.00 0.00 46.02 46.10 1bay n GLY 58 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1bay n ASP 59 N 6.86 0.01 -4.66 1.61 8.00 -1.26 -4.79 116.55 122.33 1bay n ASP 59 Ca 0.00 0.50 -0.38 0.00 0.71 0.00 0.00 54.79 55.62 1bay n ASP 59 Cb 0.00 -0.50 -0.08 0.00 -0.02 0.00 0.00 41.12 40.52 1bay n ASP 59 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 1bay s LEU 60 N -3.02 4.13 -0.15 0.64 2.96 -0.69 -5.07 118.68 117.48 1bay s LEU 60 Ca 0.12 0.46 -0.03 0.00 -0.22 0.00 0.00 54.13 54.46 1bay s LEU 60 Cb 0.16 -2.48 -0.02 0.00 0.50 0.00 0.00 46.19 44.34 1bay s LEU 60 CO 0.45 -0.09 -0.06 -0.89 -1.32 0.00 0.00 176.35 174.44 1bay s THR 61 N 1.43 3.71 0.16 3.68 2.01 -1.26 -0.50 115.64 124.87 1bay s THR 61 Ca 0.18 -0.43 0.07 0.00 0.31 0.00 0.00 61.69 61.82 1bay s THR 61 Cb -0.15 -2.61 -0.04 0.00 0.01 0.00 0.00 72.50 69.71 1bay s THR 61 CO 0.08 0.50 -0.14 -0.76 -0.69 0.00 0.00 174.62 173.61 1bay s LEU 62 N 0.32 2.48 0.15 4.42 1.43 0.70 -4.98 118.68 123.21 1bay s LEU 62 Ca -0.05 -0.92 0.02 0.00 -1.03 0.00 0.00 54.13 52.15 1bay s LEU 62 Cb -0.14 -0.59 -0.04 0.00 0.03 0.00 0.00 46.19 45.44 1bay s LEU 62 CO 0.04 -0.17 -0.04 -0.31 0.23 0.00 0.00 176.35 176.10 1bay s TYR 63 N -2.60 1.15 0.00 0.29 1.51 -1.26 -0.86 117.35 115.57 1bay s TYR 63 Ca 0.16 -0.93 0.00 0.00 -1.01 0.00 0.00 57.07 55.29 1bay s TYR 63 Cb -0.02 -0.64 0.00 0.00 -0.11 0.00 0.00 41.96 41.19 1bay s TYR 63 CO 0.04 -0.12 0.00 1.04 -1.11 0.00 0.00 175.55 175.40 1bay n GLN 64 N -0.18 0.00 -0.34 -0.62 1.13 -1.25 -4.55 117.38 111.56 1bay n GLN 64 Ca -0.09 0.42 0.18 0.00 -1.94 0.00 0.00 57.00 55.57 1bay n GLN 64 Cb 0.62 -0.49 0.40 0.00 0.11 0.00 0.00 30.24 30.87 1bay n GLN 64 CO 0.00 0.00 0.00 0.66 -1.44 0.00 0.00 177.06 176.28 1bay h SER 65 N 0.00 0.66 0.79 1.08 4.64 -1.90 -0.81 113.55 118.00 1bay h SER 65 Ca 0.00 0.13 -0.15 0.00 -0.47 0.00 0.00 61.79 61.30 1bay h SER 65 Cb 0.00 0.03 -0.02 0.00 -0.31 0.00 0.00 62.40 62.10 1bay h SER 65 CO 0.00 0.10 -0.74 0.78 -0.87 0.00 0.00 176.83 176.10 1bay h ASN 66 N 0.56 0.00 -0.31 4.97 2.35 -1.94 -1.37 115.58 119.84 1bay h ASN 66 Ca 0.65 0.00 -0.12 0.00 -0.55 0.00 0.00 56.30 56.27 1bay h ASN 66 Cb 1.26 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 39.62 1bay h ASN 66 CO -0.47 0.74 -0.24 0.00 -1.65 0.00 0.00 177.43 175.80 1bay h ALA 67 N 1.26 0.82 -0.02 -0.83 0.00 -1.43 -1.71 119.26 117.35 1bay h ALA 67 Ca -0.01 -0.39 -0.00 0.00 0.00 0.00 0.00 54.91 54.51 1bay h ALA 67 Cb 1.33 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.97 1bay h ALA 67 CO 0.10 0.64 -0.00 0.82 0.00 0.00 0.00 179.25 180.81 1bay h ILE 68 N 0.70 1.27 -0.59 0.00 2.04 -1.23 -1.63 117.51 118.07 1bay h ILE 68 Ca 0.09 -0.80 0.07 0.00 1.00 0.00 0.00 64.86 65.22 1bay h ILE 68 Cb 0.77 1.76 -0.06 0.00 -0.74 0.00 0.00 36.82 38.56 1bay h ILE 68 CO 0.06 0.21 0.28 -0.07 0.00 0.00 0.00 178.15 178.63 1bay h LEU 69 N -0.28 0.36 -0.95 1.44 3.38 -1.15 -0.74 115.31 117.37 1bay h LEU 69 Ca 0.01 0.05 -0.05 0.00 0.09 0.00 0.00 57.88 57.97 1bay h LEU 69 Cb 0.35 -0.01 -0.03 0.00 0.09 0.00 0.00 40.66 41.06 1bay h LEU 69 CO 0.00 0.23 0.16 0.03 0.09 0.00 0.00 178.44 178.95 1bay h ARG 70 N 0.51 0.93 -0.66 1.13 3.08 -1.26 0.23 114.38 118.34 1bay h ARG 70 Ca 0.28 -0.19 -0.08 0.00 0.07 0.00 0.00 59.98 60.06 1bay h ARG 70 Cb 0.26 -0.14 -0.03 0.00 0.08 0.00 0.00 29.97 30.14 1bay h ARG 70 CO -0.23 0.82 0.11 1.25 -1.07 0.00 0.00 179.97 180.85 1bay h HIS 71 N 0.90 1.16 -0.23 3.04 2.76 -0.56 0.11 115.15 122.33 1bay h HIS 71 Ca 0.20 -0.16 -0.10 0.00 -2.20 0.00 0.00 60.37 58.11 1bay h HIS 71 Cb 0.30 -0.32 -0.01 0.00 1.55 0.00 0.00 27.41 28.92 1bay h HIS 71 CO 0.02 0.98 -0.28 -0.07 -1.30 0.00 0.00 177.93 177.28 1bay h LEU 72 N 1.02 0.46 -0.34 0.26 3.38 -0.76 -1.35 115.31 117.98 1bay h LEU 72 Ca 0.20 -0.16 -0.06 0.00 0.09 0.00 0.00 57.88 57.95 1bay h LEU 72 Cb 0.44 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.05 1bay h LEU 72 CO 0.01 0.73 -0.02 1.23 0.09 0.00 0.00 178.44 180.49 1bay h GLY 73 N 1.04 0.66 0.63 0.83 0.00 -0.35 -0.58 103.07 105.29 1bay h GLY 73 Ca 0.06 -0.50 -0.00 0.00 0.00 0.00 0.00 47.33 46.88 1bay h GLY 73 CO 0.05 0.46 -0.00 3.21 0.00 0.00 0.00 176.54 180.26 1bay h ARG 74 N 0.41 -0.01 -0.02 4.80 3.08 -0.62 0.25 114.38 122.27 1bay h ARG 74 Ca 0.09 0.00 -0.14 0.00 0.07 0.00 0.00 59.98 60.00 1bay h ARG 74 Cb 0.48 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.52 1bay h ARG 74 CO 0.02 0.36 -0.64 0.66 -1.07 0.00 0.00 179.97 179.29 1bay h SER 75 N -0.38 0.11 -0.00 7.04 4.64 -1.29 -3.22 113.55 120.43 1bay h SER 75 Ca -0.00 -0.07 0.00 0.00 -0.47 0.00 0.00 61.79 61.25 1bay h SER 75 Cb 0.37 -0.03 0.00 0.00 -0.31 0.00 0.00 62.40 62.43 1bay h SER 75 CO 0.00 0.72 -0.08 0.18 -0.87 0.00 0.00 176.83 176.78 1bay n LEU 76 N -3.80 2.29 -1.65 5.97 4.32 -0.23 -4.99 117.00 118.90 1bay n LEU 76 Ca -0.02 -0.77 -0.07 0.00 -0.02 0.00 0.00 56.01 55.13 1bay n LEU 76 Cb 0.64 -0.01 0.03 0.00 -1.62 0.00 0.00 43.42 42.46 1bay n LEU 76 CO 0.43 0.39 0.07 0.61 -1.22 0.00 0.00 177.39 177.67 1bay n GLY 77 N 1.31 0.34 2.30 -0.72 0.00 -0.85 -4.98 105.19 102.59 1bay n GLY 77 Ca 0.15 -0.33 -0.20 0.00 0.00 0.00 0.00 46.02 45.64 1bay n GLY 77 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1bay n LEU 78 N -2.04 4.12 -0.67 0.99 4.77 0.82 -4.73 117.00 120.27 1bay n LEU 78 Ca -0.04 -4.53 0.06 0.00 -0.03 0.00 0.00 56.01 51.47 1bay n LEU 78 Cb 0.53 -0.19 0.11 0.00 -2.33 0.00 0.00 43.42 41.55 1bay n LEU 78 CO 0.21 1.94 0.32 0.00 -1.33 0.00 0.00 177.39 178.54 1bay n TYR 79 N -0.59 0.00 -0.50 -1.77 4.19 -1.22 -1.52 117.16 115.75 1bay n TYR 79 Ca 0.35 -0.90 0.00 0.00 3.31 0.00 0.00 57.90 60.66 1bay n TYR 79 Cb 0.86 -0.17 0.00 0.00 0.49 0.00 0.00 39.34 40.52 1bay n TYR 79 CO 0.00 0.00 0.00 0.41 0.91 0.00 0.00 176.86 178.18 1bay n GLY 80 N -0.63 -2.87 0.00 2.98 0.00 -1.26 -4.16 105.19 99.25 1bay n GLY 80 Ca 0.12 -1.75 0.05 0.00 0.00 0.00 0.00 46.02 44.44 1bay n GLY 80 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1bay n LYS 81 N -0.48 2.36 -3.59 1.61 2.85 -1.26 -4.97 118.16 114.68 1bay n LYS 81 Ca 0.00 -0.04 -0.11 0.00 -1.05 0.00 0.00 58.31 57.12 1bay n LYS 81 Cb 0.00 -1.08 -0.00 0.00 -0.65 0.00 0.00 35.03 33.30 1bay n LYS 81 CO 0.00 0.00 0.00 0.27 -0.05 0.00 0.00 177.40 177.62 1bay n ASN 82 N -1.48 -1.60 -0.24 -5.58 0.23 -1.26 -5.05 115.26 100.28 1bay n ASN 82 Ca 0.00 -2.56 -0.03 0.00 -0.53 0.00 0.00 54.58 51.46 1bay n ASN 82 Cb 0.20 2.79 0.08 0.00 -2.08 0.00 0.00 39.78 40.77 1bay n ASN 82 CO 0.00 0.00 0.00 -0.61 -0.93 0.00 0.00 177.26 175.72 1bay h GLN 83 N 0.00 0.76 -0.31 -3.83 4.15 -1.97 -1.10 115.11 112.81 1bay h GLN 83 Ca -0.27 -0.05 -0.02 0.00 0.77 0.00 0.00 58.65 59.08 1bay h GLN 83 Cb 1.08 -0.17 -0.01 0.00 0.21 0.00 0.00 27.48 28.58 1bay h GLN 83 CO 0.35 0.50 0.10 -0.09 -1.93 0.00 0.00 178.83 177.77 1bay h ARG 84 N 0.78 0.48 -0.55 1.69 2.43 -1.99 -1.84 114.38 115.39 1bay h ARG 84 Ca 0.28 -0.10 -0.07 0.00 -0.81 0.00 0.00 59.98 59.28 1bay h ARG 84 Cb 0.07 -0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 29.53 1bay h ARG 84 CO -0.13 0.52 0.06 0.93 -1.51 0.00 0.00 179.97 179.84 1bay h GLU 85 N 0.35 0.93 -0.95 0.20 5.08 -1.88 -1.06 114.58 117.25 1bay h GLU 85 Ca 0.10 -0.26 -0.00 0.00 -1.00 0.00 0.00 59.36 58.20 1bay h GLU 85 Cb 0.23 -0.10 -0.05 0.00 0.50 0.00 0.00 28.75 29.34 1bay h GLU 85 CO -0.00 0.91 0.59 0.00 -1.00 0.00 0.00 179.01 179.50 1bay h ALA 86 N 0.98 1.20 -0.18 3.43 0.00 -1.12 0.09 119.26 123.67 1bay h ALA 86 Ca 0.16 -0.09 -0.16 0.00 0.00 0.00 0.00 54.91 54.82 1bay h ALA 86 Cb 0.45 -0.38 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 1bay h ALA 86 CO 0.02 0.64 -0.57 0.00 0.00 0.00 0.00 179.25 179.34 1bay h ALA 87 N 1.32 0.67 -0.10 0.00 0.00 -1.07 -1.65 119.26 118.43 1bay h ALA 87 Ca 0.34 -0.52 -0.15 0.00 0.00 0.00 0.00 54.91 54.58 1bay h ALA 87 Cb -0.09 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 1bay h ALA 87 CO -0.07 0.69 -0.57 1.96 0.00 0.00 0.00 179.25 181.26 1bay h GLN 88 N 0.43 0.33 -0.37 0.00 4.20 -0.83 -1.49 115.11 117.39 1bay h GLN 88 Ca 0.00 -0.21 -0.07 0.00 0.06 0.00 0.00 58.65 58.43 1bay h GLN 88 Cb 1.12 0.03 -0.01 0.00 0.30 0.00 0.00 27.48 28.91 1bay h GLN 88 CO 0.11 0.81 -0.04 0.52 -0.67 0.00 0.00 178.83 179.55 1bay h MET 89 N 0.25 0.68 -0.38 1.46 2.86 -0.83 -1.26 114.93 117.71 1bay h MET 89 Ca -0.00 -0.24 0.00 0.00 -2.06 0.00 0.00 59.70 57.40 1bay h MET 89 Cb 1.08 -0.05 -0.02 0.00 0.06 0.00 0.00 31.60 32.67 1bay h MET 89 CO 0.09 0.81 0.24 -0.44 1.06 0.00 0.00 176.91 178.67 1bay h ASP 90 N 0.48 0.44 -0.45 1.22 3.32 -1.15 -0.89 116.42 119.38 1bay h ASP 90 Ca 0.10 -0.03 0.06 0.00 0.02 0.00 0.00 57.03 57.18 1bay h ASP 90 Cb 0.53 -0.11 -0.05 0.00 0.22 0.00 0.00 39.33 39.92 1bay h ASP 90 CO 0.03 0.34 0.14 -0.03 -1.72 0.00 0.00 179.24 178.00 1bay h MET 91 N 0.50 0.29 -0.37 3.56 4.05 -1.09 -0.53 114.93 121.33 1bay h MET 91 Ca 0.14 -0.02 -0.04 0.00 -0.28 0.00 0.00 59.70 59.50 1bay h MET 91 Cb -0.03 -0.07 -0.02 0.00 -0.80 0.00 0.00 31.60 30.69 1bay h MET 91 CO -0.03 0.19 0.08 0.28 0.23 0.00 0.00 176.91 177.67 1bay h VAL 92 N 0.30 1.23 -0.52 -5.77 2.07 -0.85 -2.01 116.25 110.69 1bay h VAL 92 Ca 0.22 -0.79 -0.05 0.00 0.82 0.00 0.00 66.70 66.90 1bay h VAL 92 Cb 0.24 1.03 -0.02 0.00 -1.52 0.00 0.00 31.29 31.02 1bay h VAL 92 CO -0.24 0.27 0.14 -1.13 0.02 0.00 0.00 177.57 176.63 1bay h ASN 93 N 0.46 0.78 -0.88 0.57 -1.24 -0.85 -0.06 115.58 114.36 1bay h ASN 93 Ca 0.12 -0.22 0.04 0.00 0.71 0.00 0.00 56.30 56.94 1bay h ASN 93 Cb 0.32 -0.21 -0.05 0.00 0.73 0.00 0.00 38.32 39.11 1bay h ASN 93 CO 0.00 0.80 0.58 0.44 -1.29 0.00 0.00 177.43 177.96 1bay h ASP 94 N 0.73 0.94 -0.40 1.15 5.19 -1.02 0.21 116.42 123.22 1bay h ASP 94 Ca 0.17 -0.01 -0.04 0.00 -0.62 0.00 0.00 57.03 56.53 1bay h ASP 94 Cb 0.32 -0.21 -0.02 0.00 0.18 0.00 0.00 39.33 39.60 1bay h ASP 94 CO -0.00 0.64 0.11 1.23 -3.12 0.00 0.00 179.24 178.10 1bay h GLY 95 N 1.09 0.68 1.00 2.75 0.00 -0.59 -1.55 103.07 106.44 1bay h GLY 95 Ca 0.35 -0.41 0.00 0.00 0.00 0.00 0.00 47.33 47.27 1bay h GLY 95 CO -0.11 0.39 0.35 -2.08 0.00 0.00 0.00 176.54 175.09 1bay h VAL 96 N 0.50 1.14 -0.31 4.60 2.07 0.29 -2.56 116.25 121.97 1bay h VAL 96 Ca 0.13 -0.27 -0.05 0.00 0.82 0.00 0.00 66.70 67.33 1bay h VAL 96 Cb 0.29 0.37 -0.02 0.00 -1.52 0.00 0.00 31.29 30.41 1bay h VAL 96 CO -0.00 0.14 -0.02 -0.08 0.02 0.00 0.00 177.57 177.63 1bay h GLU 97 N 0.72 0.49 -0.18 1.57 4.57 -0.36 -1.04 114.58 120.35 1bay h GLU 97 Ca 0.20 -0.10 -0.01 0.00 -1.18 0.00 0.00 59.36 58.26 1bay h GLU 97 Cb -0.07 -0.07 -0.01 0.00 -0.16 0.00 0.00 28.75 28.44 1bay h GLU 97 CO -0.04 0.53 0.07 -0.44 -1.18 0.00 0.00 179.01 177.95 1bay h ASP 98 N 0.47 0.24 -0.52 1.04 3.32 -0.89 -0.44 116.42 119.65 1bay h ASP 98 Ca 0.10 -0.17 -0.09 0.00 0.02 0.00 0.00 57.03 56.89 1bay h ASP 98 Cb 0.33 -0.06 -0.02 0.00 0.22 0.00 0.00 39.33 39.80 1bay h ASP 98 CO 0.01 0.34 -0.01 0.25 -1.72 0.00 0.00 179.24 178.11 1bay h LEU 99 N 0.13 0.94 -0.67 1.55 5.85 -1.28 -2.45 115.31 119.38 1bay h LEU 99 Ca 0.06 -0.26 -0.03 0.00 0.84 0.00 0.00 57.88 58.49 1bay h LEU 99 Cb 0.18 -0.25 -0.03 0.00 0.37 0.00 0.00 40.66 40.92 1bay h LEU 99 CO -0.00 1.00 0.31 -0.09 -0.34 0.00 0.00 178.44 179.32 1bay h ARG 100 N 0.88 0.98 -0.85 1.25 2.43 -0.96 0.15 114.38 118.26 1bay h ARG 100 Ca 0.16 -0.15 -0.03 0.00 -0.81 0.00 0.00 59.98 59.15 1bay h ARG 100 Cb 0.54 -0.17 -0.04 0.00 -0.42 0.00 0.00 29.97 29.87 1bay h ARG 100 CO 0.03 0.78 0.43 0.78 -1.51 0.00 0.00 179.97 180.48 1bay h GLY 101 N 0.94 1.30 0.84 2.80 0.00 -0.88 0.69 103.07 108.75 1bay h GLY 101 Ca 0.23 -0.62 -0.02 0.00 0.00 0.00 0.00 47.33 46.93 1bay h GLY 101 CO -0.03 0.59 0.04 0.50 0.00 0.00 0.00 176.54 177.64 1bay h LYS 102 N 1.21 0.25 -0.39 4.80 1.57 -0.96 -2.34 116.57 120.70 1bay h LYS 102 Ca 0.30 -0.06 0.08 0.00 -1.87 0.00 0.00 60.65 59.09 1bay h LYS 102 Cb 0.08 -0.03 -0.07 0.00 0.08 0.00 0.00 32.23 32.29 1bay h LYS 102 CO -0.04 0.40 -0.06 -0.92 -0.57 0.00 0.00 179.45 178.26 1bay h TYR 103 N 0.06 -0.14 -0.56 -1.35 3.20 -0.42 -1.05 116.97 116.71 1bay h TYR 103 Ca 0.05 0.03 0.04 0.00 3.14 0.00 0.00 58.73 61.99 1bay h TYR 103 Cb 0.26 0.12 -0.04 0.00 1.54 0.00 0.00 36.73 38.61 1bay h TYR 103 CO 0.01 -0.14 0.32 0.28 -1.64 0.00 0.00 178.16 176.99 1bay h VAL 104 N 0.04 1.01 -1.01 1.81 2.07 -0.77 -1.18 116.25 118.22 1bay h VAL 104 Ca 0.19 -0.21 0.05 0.00 0.82 0.00 0.00 66.70 67.55 1bay h VAL 104 Cb 0.29 0.34 -0.06 0.00 -1.52 0.00 0.00 31.29 30.34 1bay h VAL 104 CO -0.38 0.11 0.66 0.74 0.02 0.00 0.00 177.57 178.72 1bay h THR 105 N 0.62 1.15 0.54 2.57 2.02 -0.69 -0.62 112.91 118.50 1bay h THR 105 Ca 0.24 -0.43 -0.03 0.00 0.77 0.00 0.00 66.41 66.96 1bay h THR 105 Cb 0.09 -0.21 0.01 0.00 -1.74 0.00 0.00 68.15 66.30 1bay h THR 105 CO -0.13 0.23 -0.26 0.25 0.37 0.00 0.00 175.52 175.98 1bay h LEU 106 N 1.25 -0.61 -0.75 2.58 5.85 -0.36 0.13 115.31 123.40 1bay h LEU 106 Ca 0.41 0.02 0.17 0.00 0.84 0.00 0.00 57.88 59.32 1bay h LEU 106 Cb 0.05 0.16 -0.13 0.00 0.37 0.00 0.00 40.66 41.11 1bay h LEU 106 CO -0.14 -0.38 0.01 0.40 -0.34 0.00 0.00 178.44 177.99 1bay h ILE 107 N -0.84 0.34 0.00 4.05 1.08 -1.07 -1.24 117.51 119.83 1bay h ILE 107 Ca -0.07 -0.04 0.00 0.00 -0.39 0.00 0.00 64.86 64.36 1bay h ILE 107 Cb 0.55 0.23 0.00 0.00 -3.07 0.00 0.00 36.82 34.53 1bay h ILE 107 CO 0.12 0.02 -1.16 -1.22 -0.69 0.00 0.00 178.15 175.22 1bay n TYR 108 N -5.34 0.42 -0.01 1.37 4.01 -0.26 -4.55 117.16 112.80 1bay n TYR 108 Ca 0.14 0.12 -0.02 0.00 -0.16 0.00 0.00 57.90 57.98 1bay n TYR 108 Cb 0.47 -0.59 -0.01 0.00 -0.31 0.00 0.00 39.34 38.90 1bay n TYR 108 CO 0.00 0.00 0.00 2.41 -0.46 0.00 0.00 176.86 178.81 1bay n THR 109 N -2.20 0.13 -2.80 -0.72 -1.04 0.45 -4.92 114.28 103.18 1bay n THR 109 Ca 0.01 -0.05 -0.11 0.00 -2.04 0.00 0.00 64.05 61.86 1bay n THR 109 Cb 0.49 -0.73 0.02 0.00 -1.82 0.00 0.00 70.33 68.29 1bay n THR 109 CO 0.00 0.00 0.00 -3.20 -0.64 0.00 0.00 175.07 171.23 1bay n ASN 110 N -2.65 0.90 0.15 8.00 5.15 -0.57 -4.98 115.26 121.25 1bay n ASN 110 Ca -0.04 -2.80 -0.14 0.00 -0.60 0.00 0.00 54.58 51.00 1bay n ASN 110 Cb 0.54 -0.35 -0.08 0.00 -0.53 0.00 0.00 39.78 39.36 1bay n ASN 110 CO 0.00 0.00 0.00 0.22 1.40 0.00 0.00 177.26 178.88 1bay h TYR 111 N 2.92 -0.33 0.69 1.20 3.20 -1.53 0.22 116.97 123.34 1bay h TYR 111 Ca -0.06 -0.01 -0.03 0.00 3.14 0.00 0.00 58.73 61.77 1bay h TYR 111 Cb 1.13 0.11 -0.01 0.00 1.54 0.00 0.00 36.73 39.50 1bay h TYR 111 CO 0.45 -0.05 -0.49 0.93 -1.64 0.00 0.00 178.16 177.37 1bay h GLU 112 N -0.59 -1.08 -0.01 1.82 3.07 -1.94 -1.89 114.58 113.96 1bay h GLU 112 Ca -0.04 0.07 -0.08 0.00 -0.50 0.00 0.00 59.36 58.82 1bay h GLU 112 Cb 0.43 0.25 0.01 0.00 -0.84 0.00 0.00 28.75 28.59 1bay h GLU 112 CO 0.06 -0.72 -0.29 -0.91 -1.40 0.00 0.00 179.01 175.74 1bay h ASN 113 N -1.12 0.27 1.12 1.42 2.35 -1.99 -3.36 115.58 114.28 1bay h ASN 113 Ca -0.09 -0.76 0.00 0.00 -0.55 0.00 0.00 56.30 54.90 1bay h ASN 113 Cb 0.92 -0.08 0.00 0.00 0.05 0.00 0.00 38.32 39.21 1bay h ASN 113 CO 0.05 0.99 0.00 1.23 -1.65 0.00 0.00 177.43 178.05 1bay h GLY 114 N -0.43 0.00 0.23 2.83 0.00 -1.06 -3.36 103.07 101.28 1bay h GLY 114 Ca -0.03 0.00 0.08 0.00 0.00 0.00 0.00 47.33 47.38 1bay h GLY 114 CO 0.06 0.00 -0.07 1.70 0.00 0.00 0.00 176.54 178.23 1bay h LYS 115 N 0.00 0.03 0.10 4.80 3.64 -1.39 -2.13 116.57 121.61 1bay h LYS 115 Ca 0.00 -0.00 0.02 0.00 -1.27 0.00 0.00 60.65 59.40 1bay h LYS 115 Cb 0.56 -0.01 -0.05 0.00 -0.41 0.00 0.00 32.23 32.33 1bay h LYS 115 CO 0.00 0.02 -0.41 -0.91 -2.27 0.00 0.00 179.45 175.88 1bay h ASN 116 N 0.03 -1.23 -0.83 4.20 4.21 -1.84 -1.15 115.58 118.98 1bay h ASN 116 Ca 0.20 0.14 0.12 0.00 1.21 0.00 0.00 56.30 57.97 1bay h ASN 116 Cb 0.30 0.47 -0.08 0.00 -1.12 0.00 0.00 38.32 37.88 1bay h ASN 116 CO -0.40 -0.48 0.45 0.44 -1.29 0.00 0.00 177.43 176.15 1bay h ASP 117 N -0.63 0.59 0.33 5.81 3.32 -1.76 -2.11 116.42 121.97 1bay h ASP 117 Ca 0.03 0.07 -0.02 0.00 0.02 0.00 0.00 57.03 57.13 1bay h ASP 117 Cb 0.67 -0.03 0.00 0.00 0.22 0.00 0.00 39.33 40.19 1bay h ASP 117 CO -0.25 0.29 -0.16 0.22 -1.72 0.00 0.00 179.24 177.62 1bay h TYR 118 N 0.69 -0.41 -0.90 4.55 5.03 -0.71 -2.00 116.97 123.21 1bay h TYR 118 Ca 0.43 -0.01 0.09 0.00 2.58 0.00 0.00 58.73 61.82 1bay h TYR 118 Cb 0.51 0.14 -0.06 0.00 1.55 0.00 0.00 36.73 38.86 1bay h TYR 118 CO -0.08 -0.25 0.58 0.28 -1.32 0.00 0.00 178.16 177.38 1bay h VAL 119 N -0.46 0.99 -0.25 1.81 2.07 -0.73 0.10 116.25 119.79 1bay h VAL 119 Ca -0.05 -0.32 -0.05 0.00 0.82 0.00 0.00 66.70 67.10 1bay h VAL 119 Cb 0.35 -0.02 -0.01 0.00 -1.52 0.00 0.00 31.29 30.09 1bay h VAL 119 CO 0.07 0.17 -0.05 0.11 0.02 0.00 0.00 177.57 177.89 1bay h LYS 120 N 0.93 0.47 0.00 1.57 1.57 -1.20 -2.94 116.57 116.96 1bay h LYS 120 Ca 0.41 -0.18 -0.04 0.00 -1.87 0.00 0.00 60.65 58.97 1bay h LYS 120 Cb 0.36 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.64 1bay h LYS 120 CO -0.18 0.69 -0.21 0.00 -0.57 0.00 0.00 179.45 179.19 1bay h ALA 121 N 0.77 1.00 -0.54 3.86 0.00 -0.93 -3.35 119.26 120.06 1bay h ALA 121 Ca 0.06 -0.19 0.09 0.00 0.00 0.00 0.00 54.91 54.87 1bay h ALA 121 Cb 0.51 -0.03 -0.10 0.00 0.00 0.00 0.00 17.79 18.16 1bay h ALA 121 CO 0.02 0.26 -0.41 1.25 0.00 0.00 0.00 179.25 180.37 1bay h LEU 122 N 0.00 -1.40 -2.01 0.00 5.85 -0.62 -0.91 115.31 116.22 1bay h LEU 122 Ca -0.00 0.23 0.09 0.00 0.84 0.00 0.00 57.88 59.04 1bay h LEU 122 Cb 0.77 0.64 -0.01 0.00 0.37 0.00 0.00 40.66 42.43 1bay h LEU 122 CO 0.03 -0.34 0.39 1.55 -0.34 0.00 0.00 178.44 179.73 1bay h PRO 123 N -0.24 0.00 0.00 5.25 0.13 -1.72 0.21 132.00 135.64 1bay h PRO 123 Ca 0.18 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 65.24 1bay h PRO 123 Cb 0.56 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.68 1bay h PRO 123 CO -0.66 0.00 -0.35 0.78 -0.23 0.00 0.00 178.00 177.54 1bay h GLY 124 N 0.00 0.00 1.40 1.56 0.00 -1.42 -2.84 103.07 101.78 1bay h GLY 124 Ca 0.14 0.00 -0.06 0.00 0.00 0.00 0.00 47.33 47.41 1bay h GLY 124 CO -0.00 0.00 -0.78 0.45 0.00 0.00 0.00 176.54 176.20 1bay h HIS 125 N 0.00 0.00 0.07 5.60 3.86 -0.61 -3.36 115.15 120.71 1bay h HIS 125 Ca -0.00 0.00 -0.29 0.00 -1.16 0.00 0.00 60.37 58.92 1bay h HIS 125 Cb 0.84 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 29.29 1bay h HIS 125 CO 0.00 0.23 -1.52 -0.07 0.86 0.00 0.00 177.93 177.43 1bay h LEU 126 N 0.00 0.23 -0.82 2.43 3.38 -1.36 -3.38 115.31 115.79 1bay h LEU 126 Ca -0.04 -0.35 0.19 0.00 0.09 0.00 0.00 57.88 57.77 1bay h LEU 126 Cb 1.21 -0.08 -0.15 0.00 0.09 0.00 0.00 40.66 41.73 1bay h LEU 126 CO 0.02 1.30 -0.02 0.50 0.09 0.00 0.00 178.44 180.33 1bay h LYS 127 N 0.04 0.07 -0.39 1.13 1.63 -1.66 0.91 116.57 118.31 1bay h LYS 127 Ca -0.23 -0.00 0.09 0.00 -0.85 0.00 0.00 60.65 59.66 1bay h LYS 127 Cb 1.98 -0.02 -0.02 0.00 -0.60 0.00 0.00 32.23 33.57 1bay h LYS 127 CO 0.13 0.04 0.27 -1.00 -3.45 0.00 0.00 179.45 175.45 1bay h PRO 128 N 0.07 0.11 -0.02 1.90 0.13 -1.80 0.54 132.00 132.93 1bay h PRO 128 Ca 0.45 -0.01 -0.23 0.00 -0.87 0.00 0.00 66.00 65.34 1bay h PRO 128 Cb 0.81 -0.02 0.01 0.00 0.13 0.00 0.00 31.00 31.92 1bay h PRO 128 CO -0.75 0.07 -0.93 0.74 -0.23 0.00 0.00 178.00 176.89 1bay h PHE 129 N 0.11 0.74 -0.31 1.56 0.04 -1.07 -1.78 116.94 116.24 1bay h PHE 129 Ca 0.18 -0.39 -0.02 0.00 2.80 0.00 0.00 57.97 60.54 1bay h PHE 129 Cb 0.58 -0.09 -0.01 0.00 2.20 0.00 0.00 35.95 38.63 1bay h PHE 129 CO -0.00 1.21 0.11 1.49 -0.60 0.00 0.00 178.31 180.52 1bay h GLU 130 N 0.30 0.46 -0.13 1.51 4.57 -0.93 -1.56 114.58 118.79 1bay h GLU 130 Ca -0.08 -0.09 0.03 0.00 -1.18 0.00 0.00 59.36 58.03 1bay h GLU 130 Cb 1.57 -0.07 -0.03 0.00 -0.16 0.00 0.00 28.75 30.06 1bay h GLU 130 CO 0.17 0.49 -0.05 1.15 -1.18 0.00 0.00 179.01 179.59 1bay h THR 131 N 0.34 0.84 -0.63 0.32 2.02 -0.90 -0.48 112.91 114.41 1bay h THR 131 Ca 0.10 0.00 0.08 0.00 0.77 0.00 0.00 66.41 67.36 1bay h THR 131 Cb 0.21 0.84 -0.07 0.00 -1.74 0.00 0.00 68.15 67.39 1bay h THR 131 CO -0.01 0.00 0.28 -0.07 0.37 0.00 0.00 175.52 176.10 1bay h LEU 132 N -0.02 0.35 -0.53 2.58 3.38 -1.13 -1.80 115.31 118.14 1bay h LEU 132 Ca 0.07 0.06 -0.01 0.00 0.09 0.00 0.00 57.88 58.09 1bay h LEU 132 Cb 0.12 0.01 -0.02 0.00 0.09 0.00 0.00 40.66 40.86 1bay h LEU 132 CO -0.15 0.21 0.28 -0.07 0.09 0.00 0.00 178.44 178.80 1bay h LEU 133 N 0.50 0.67 -1.11 1.67 3.38 -0.61 -2.45 115.31 117.36 1bay h LEU 133 Ca 0.31 -0.10 0.07 0.00 0.09 0.00 0.00 57.88 58.25 1bay h LEU 133 Cb 0.32 -0.17 -0.06 0.00 0.09 0.00 0.00 40.66 40.83 1bay h LEU 133 CO -0.26 0.58 0.61 0.77 0.09 0.00 0.00 178.44 180.23 1bay h SER 134 N 0.71 0.93 0.31 -0.43 4.64 -0.30 0.61 113.55 120.03 1bay h SER 134 Ca 0.18 0.01 -0.10 0.00 -0.47 0.00 0.00 61.79 61.42 1bay h SER 134 Cb 0.07 -0.18 -0.01 0.00 -0.31 0.00 0.00 62.40 61.96 1bay h SER 134 CO -0.03 0.58 -0.40 1.56 -0.87 0.00 0.00 176.83 177.67 1bay h GLN 135 N 1.05 0.12 -4.47 4.77 4.20 -1.03 -3.00 115.11 116.75 1bay h GLN 135 Ca 0.41 -0.06 -0.73 0.00 0.06 0.00 0.00 58.65 58.34 1bay h GLN 135 Cb 0.24 -0.00 -0.21 0.00 0.30 0.00 0.00 27.48 27.81 1bay h GLN 135 CO -0.17 0.51 0.34 1.21 -0.67 0.00 0.00 178.83 180.05 1bay s ASN 136 N -6.90 6.55 -1.49 1.46 2.47 -0.55 -4.54 114.94 111.94 1bay s ASN 136 Ca -0.04 -2.11 -0.12 0.00 0.42 0.00 0.00 52.86 51.01 1bay s ASN 136 Cb 0.14 -2.30 0.07 0.00 -1.45 0.00 0.00 41.25 37.70 1bay s ASN 136 CO 0.75 -0.89 1.04 0.00 -3.72 0.00 0.00 177.10 174.28 1bay n GLN 137 N 5.51 -6.19 -2.80 0.43 6.02 -1.26 -1.18 117.38 117.90 1bay n GLN 137 Ca 0.10 0.66 -0.22 0.00 -0.01 0.00 0.00 57.00 57.53 1bay n GLN 137 Cb 0.46 -5.60 0.02 0.00 1.02 0.00 0.00 30.24 26.15 1bay n GLN 137 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1bay n GLY 138 N -1.78 -0.50 2.53 1.08 0.00 -1.13 -2.21 105.19 103.18 1bay n GLY 138 Ca 0.03 0.07 -0.21 0.00 0.00 0.00 0.00 46.02 45.91 1bay n GLY 138 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1bay n GLY 139 N -1.35 1.13 0.90 -0.02 0.00 0.20 -4.81 105.19 101.24 1bay n GLY 139 Ca -0.16 0.00 0.12 0.00 0.00 0.00 0.00 46.02 45.98 1bay n GLY 139 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1bay n LYS 140 N -2.59 2.20 0.00 1.61 4.76 -0.94 -4.83 118.16 118.37 1bay n LYS 140 Ca -0.22 -1.79 0.00 0.00 -2.87 0.00 0.00 58.31 53.42 1bay n LYS 140 Cb 0.68 -1.47 0.00 0.00 -1.84 0.00 0.00 35.03 32.40 1bay n LYS 140 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1bay n ALA 141 N 1.06 0.00 -4.28 7.82 0.00 -1.26 -5.11 120.51 118.74 1bay n ALA 141 Ca 0.17 0.00 -0.29 0.00 0.00 0.00 0.00 53.44 53.32 1bay n ALA 141 Cb 0.52 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.94 1bay n ALA 141 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 1bay n PHE 142 N 0.00 0.22 -0.01 0.00 3.72 -1.23 -5.03 117.46 115.13 1bay n PHE 142 Ca 0.00 -2.28 -0.02 0.00 -0.05 0.00 0.00 57.45 55.09 1bay n PHE 142 Cb 0.00 -0.37 0.24 0.00 -0.94 0.00 0.00 39.48 38.41 1bay n PHE 142 CO 0.00 0.00 0.00 0.97 -0.05 0.00 0.00 176.76 177.68 1bay h ILE 143 N 0.95 1.23 -3.15 4.37 6.09 -1.96 -3.41 117.51 121.62 1bay h ILE 143 Ca -0.36 -0.99 -0.32 0.00 -1.37 0.00 0.00 64.86 61.81 1bay h ILE 143 Cb 1.21 1.08 -0.37 0.00 0.47 0.00 0.00 36.82 39.20 1bay h ILE 143 CO 0.59 0.33 -0.67 -0.69 -3.07 0.00 0.00 178.15 174.64 1bay s VAL 144 N -4.80 -0.21 0.00 2.19 1.01 -1.26 -4.73 120.40 112.60 1bay s VAL 144 Ca -0.08 0.36 0.00 0.00 0.00 0.00 0.00 61.98 62.27 1bay s VAL 144 Cb 0.15 -0.26 0.00 0.00 0.00 0.00 0.00 36.38 36.27 1bay s VAL 144 CO 0.78 0.14 0.00 0.61 0.00 0.00 0.00 175.10 176.64 1bay n GLY 145 N 5.32 -2.11 1.29 4.51 0.00 -1.26 -4.41 105.19 108.53 1bay n GLY 145 Ca -0.04 -1.48 0.12 0.00 0.00 0.00 0.00 46.02 44.62 1bay n GLY 145 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1bay n ASP 146 N 0.79 3.77 -4.01 1.61 5.68 -1.26 -3.47 116.55 119.66 1bay n ASP 146 Ca 0.00 -2.00 -0.12 0.00 -0.50 0.00 0.00 54.79 52.17 1bay n ASP 146 Cb 0.00 -0.43 -0.12 0.00 -1.14 0.00 0.00 41.12 39.43 1bay n ASP 146 CO 0.00 0.00 0.00 -1.10 -1.33 0.00 0.00 177.20 174.77 1bay s GLN 147 N -1.14 0.41 0.42 0.11 -0.21 -1.26 -4.86 119.66 113.12 1bay s GLN 147 Ca 0.46 -0.58 -0.26 0.00 0.02 0.00 0.00 55.36 55.01 1bay s GLN 147 Cb 0.25 -0.17 -0.08 0.00 1.00 0.00 0.00 33.01 34.00 1bay s GLN 147 CO 0.33 0.03 1.31 -1.50 -2.12 0.00 0.00 175.29 173.34 1bay s ILE 148 N -1.12 2.56 0.33 1.08 2.07 -1.26 -4.83 121.20 120.04 1bay s ILE 148 Ca -0.09 0.49 0.03 0.00 -1.41 0.00 0.00 60.65 59.67 1bay s ILE 148 Cb -0.08 -3.29 -0.05 0.00 0.13 0.00 0.00 42.46 39.17 1bay s ILE 148 CO -0.00 0.07 0.09 -0.94 -1.91 0.00 0.00 174.94 172.25 1bay s SER 149 N -0.74 2.19 0.62 4.50 1.04 -1.26 -4.76 113.70 115.29 1bay s SER 149 Ca 0.58 -1.48 0.33 0.00 0.48 0.00 0.00 55.95 55.86 1bay s SER 149 Cb -0.38 0.17 1.91 0.00 0.10 0.00 0.00 66.02 67.82 1bay s SER 149 CO 0.49 -0.75 2.21 2.19 0.98 0.00 0.00 173.24 178.37 1bay h PHE 150 N 2.08 0.00 -0.33 5.02 -0.00 -1.61 -1.88 116.94 120.21 1bay h PHE 150 Ca -0.38 0.00 -0.15 0.00 -0.00 0.00 0.00 57.97 57.44 1bay h PHE 150 Cb 1.25 0.00 -0.01 0.00 -0.00 0.00 0.00 35.95 37.20 1bay h PHE 150 CO 0.85 0.00 -0.38 0.00 -0.00 0.00 0.00 178.31 178.78 1bay h ALA 151 N 1.87 0.71 -0.41 12.09 0.00 -1.91 -3.09 119.26 128.53 1bay h ALA 151 Ca 0.03 -0.44 -0.01 0.00 0.00 0.00 0.00 54.91 54.49 1bay h ALA 151 Cb 0.21 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 1bay h ALA 151 CO -0.00 0.66 0.23 -0.44 0.00 0.00 0.00 179.25 179.70 1bay h ASP 152 N 0.64 0.50 -0.64 0.00 3.32 -1.74 -1.11 116.42 117.40 1bay h ASP 152 Ca 0.06 -0.08 0.00 0.00 0.02 0.00 0.00 57.03 57.03 1bay h ASP 152 Cb 0.93 -0.13 -0.03 0.00 0.22 0.00 0.00 39.33 40.32 1bay h ASP 152 CO 0.09 0.43 0.41 1.88 -1.72 0.00 0.00 179.24 180.33 1bay h TYR 153 N 0.53 0.83 -0.04 4.55 0.05 -1.60 -0.36 116.97 120.93 1bay h TYR 153 Ca 0.14 0.01 -0.08 0.00 0.05 0.00 0.00 58.73 58.85 1bay h TYR 153 Cb 0.04 -0.28 0.00 0.00 1.01 0.00 0.00 36.73 37.51 1bay h TYR 153 CO -0.03 0.54 -0.30 -0.97 -1.05 0.00 0.00 178.16 176.35 1bay h ASN 154 N 0.88 0.33 -0.16 3.88 -0.00 -1.40 -2.85 115.58 116.26 1bay h ASN 154 Ca 0.23 -0.69 0.01 0.00 -0.00 0.00 0.00 56.30 55.85 1bay h ASN 154 Cb -0.07 -0.10 -0.01 0.00 -0.00 0.00 0.00 38.32 38.14 1bay h ASN 154 CO -0.05 0.97 0.08 0.25 -0.00 0.00 0.00 177.43 178.69 1bay h LEU 155 N -0.28 0.12 -0.45 0.34 5.85 -1.00 -1.70 115.31 118.19 1bay h LEU 155 Ca -0.03 0.01 0.07 0.00 0.84 0.00 0.00 57.88 58.77 1bay h LEU 155 Cb 0.98 -0.02 -0.06 0.00 0.37 0.00 0.00 40.66 41.94 1bay h LEU 155 CO 0.06 0.10 0.11 0.25 -0.34 0.00 0.00 178.44 178.62 1bay h LEU 156 N 0.18 0.06 -0.59 2.25 5.85 -1.15 0.02 115.31 121.92 1bay h LEU 156 Ca 0.07 0.07 0.01 0.00 0.84 0.00 0.00 57.88 58.87 1bay h LEU 156 Cb 0.01 0.08 -0.03 0.00 0.37 0.00 0.00 40.66 41.09 1bay h LEU 156 CO -0.04 0.07 0.38 -0.78 -0.34 0.00 0.00 178.44 177.72 1bay h ASP 157 N 0.26 0.65 -0.96 1.25 3.58 -1.24 -0.34 116.42 119.62 1bay h ASP 157 Ca 0.22 -0.01 0.00 0.00 0.42 0.00 0.00 57.03 57.66 1bay h ASP 157 Cb 0.26 -0.15 -0.05 0.00 1.72 0.00 0.00 39.33 41.11 1bay h ASP 157 CO -0.26 0.46 0.61 0.25 -2.88 0.00 0.00 179.24 177.42 1bay h LEU 158 N 0.77 1.12 -0.36 2.28 5.85 -0.50 -2.27 115.31 122.20 1bay h LEU 158 Ca 0.22 -0.04 -0.13 0.00 0.84 0.00 0.00 57.88 58.77 1bay h LEU 158 Cb -0.05 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 40.69 1bay h LEU 158 CO -0.07 0.83 -0.28 -0.07 -0.34 0.00 0.00 178.44 178.52 1bay h LEU 159 N 1.31 0.87 -0.30 2.25 3.38 -0.38 -2.69 115.31 119.74 1bay h LEU 159 Ca 0.35 -0.44 0.01 0.00 0.09 0.00 0.00 57.88 57.89 1bay h LEU 159 Cb -0.11 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.37 1bay h LEU 159 CO -0.07 1.13 0.17 -0.07 0.09 0.00 0.00 178.44 179.69 1bay h LEU 160 N 0.62 0.28 -1.15 1.67 3.38 -0.79 -1.70 115.31 117.62 1bay h LEU 160 Ca 0.07 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.96 1bay h LEU 160 Cb 0.85 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 41.53 1bay h LEU 160 CO 0.07 0.21 -0.38 0.16 0.09 0.00 0.00 178.44 178.59 1bay h ILE 161 N 0.36 1.06 -0.01 1.22 3.07 -1.45 -2.84 117.51 118.92 1bay h ILE 161 Ca 0.12 -1.40 -0.15 0.00 1.55 0.00 0.00 64.86 64.98 1bay h ILE 161 Cb 0.00 1.80 -0.02 0.00 -0.27 0.00 0.00 36.82 38.33 1bay h ILE 161 CO -0.06 0.37 -0.69 0.45 -1.05 0.00 0.00 178.15 177.17 1bay h HIS 162 N 0.00 0.06 0.00 0.16 3.86 -1.12 -0.94 115.15 117.17 1bay h HIS 162 Ca -0.00 -0.03 -0.04 0.00 -1.16 0.00 0.00 60.37 59.13 1bay h HIS 162 Cb 0.77 -0.01 -0.01 0.00 1.06 0.00 0.00 27.41 29.23 1bay h HIS 162 CO 0.00 0.72 -0.21 1.96 0.86 0.00 0.00 177.93 181.27 1bay h GLN 163 N 0.03 0.00 0.24 2.45 4.20 -1.08 0.11 115.11 121.06 1bay h GLN 163 Ca -0.01 0.00 -0.33 0.00 0.06 0.00 0.00 58.65 58.37 1bay h GLN 163 Cb 1.23 0.00 0.04 0.00 0.30 0.00 0.00 27.48 29.04 1bay h GLN 163 CO 0.09 0.21 -1.46 0.28 -0.67 0.00 0.00 178.83 177.28 1bay h VAL 164 N 0.00 1.28 -0.52 -0.54 2.07 -1.31 -2.70 116.25 114.53 1bay h VAL 164 Ca -0.00 -2.67 -0.12 0.00 0.82 0.00 0.00 66.70 64.72 1bay h VAL 164 Cb 0.54 3.01 -0.02 0.00 -1.52 0.00 0.00 31.29 33.30 1bay h VAL 164 CO 0.03 0.80 -0.16 0.25 0.02 0.00 0.00 177.57 178.51 1bay h LEU 165 N 0.16 1.04 -6.46 2.57 7.12 -0.68 -3.39 115.31 115.68 1bay h LEU 165 Ca -0.25 -0.37 -0.46 0.00 0.13 0.00 0.00 57.88 56.93 1bay h LEU 165 Cb 2.15 -0.28 -0.35 0.00 -0.53 0.00 0.00 40.66 41.65 1bay h LEU 165 CO 0.27 1.17 -0.76 0.00 -0.13 0.00 0.00 178.44 179.00 1bay s ALA 166 N -4.77 0.16 0.22 1.25 0.00 0.32 -5.09 121.76 113.84 1bay s ALA 166 Ca -0.11 -1.35 -0.32 0.00 0.00 0.00 0.00 51.96 50.18 1bay s ALA 166 Cb 0.13 -1.85 -0.12 0.00 0.00 0.00 0.00 23.12 21.28 1bay s ALA 166 CO 0.87 -2.12 1.70 -2.14 0.00 0.00 0.00 175.76 174.07 1bay s PRO 167 N 1.29 4.13 0.00 0.00 0.02 -1.02 -1.74 135.00 137.69 1bay s PRO 167 Ca 0.17 2.60 0.00 0.00 0.02 0.00 0.00 61.00 63.79 1bay s PRO 167 Cb -0.19 -3.07 0.00 0.00 0.02 0.00 0.00 34.50 31.27 1bay s PRO 167 CO -0.02 -0.73 0.00 0.41 -0.33 0.00 0.00 177.00 176.33 1bay n GLY 168 N 3.67 0.59 0.28 0.52 0.00 -1.26 -4.95 105.19 104.04 1bay n GLY 168 Ca 0.15 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.29 1bay n GLY 168 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1bay n LEU 170 N -3.90 2.05 -0.12 0.00 4.77 -1.26 -4.36 117.00 114.17 1bay n LEU 170 Ca -0.03 -0.80 -0.04 0.00 -0.03 0.00 0.00 56.01 55.11 1bay n LEU 170 Cb 0.14 -0.09 0.03 0.00 -2.33 0.00 0.00 43.42 41.17 1bay n LEU 170 CO 0.30 0.40 0.88 0.44 -1.33 0.00 0.00 177.39 178.08 1bay h ASP 171 N 2.88 -0.07 0.00 -1.43 3.32 -1.60 -0.50 116.42 119.03 1bay h ASP 171 Ca 0.00 0.08 0.00 0.00 0.02 0.00 0.00 57.03 57.13 1bay h ASP 171 Cb 0.62 0.13 0.00 0.00 0.22 0.00 0.00 39.33 40.30 1bay h ASP 171 CO 0.00 0.00 0.00 -3.20 -1.72 0.00 0.00 179.24 174.32 1bay n ASN 172 N -5.14 0.00 -3.60 6.45 5.15 -1.26 -4.31 115.26 112.54 1bay n ASN 172 Ca 0.03 -1.58 -0.27 0.00 -0.60 0.00 0.00 54.58 52.16 1bay n ASN 172 Cb 0.20 0.00 -0.11 0.00 -0.53 0.00 0.00 39.78 39.34 1bay n ASN 172 CO 0.00 0.00 0.00 0.49 1.40 0.00 0.00 177.26 179.15 1bay n PHE 173 N -0.62 1.01 -0.30 1.20 3.72 -0.19 -4.98 117.46 117.29 1bay n PHE 173 Ca 0.05 -3.77 0.08 0.00 -0.05 0.00 0.00 57.45 53.76 1bay n PHE 173 Cb 0.02 -0.16 0.30 0.00 -0.94 0.00 0.00 39.48 38.70 1bay n PHE 173 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 1bay h PRO 174 N 5.42 0.85 -0.45 -1.08 0.13 -1.75 -0.83 132.00 134.29 1bay h PRO 174 Ca 0.21 -0.05 -0.13 0.00 -0.87 0.00 0.00 66.00 65.16 1bay h PRO 174 Cb 0.83 -0.19 -0.01 0.00 0.13 0.00 0.00 31.00 31.76 1bay h PRO 174 CO 0.54 0.56 -0.24 -0.07 -0.23 0.00 0.00 178.00 178.56 1bay h LEU 175 N 0.88 0.98 -0.23 1.56 3.38 -1.93 -1.18 115.31 118.76 1bay h LEU 175 Ca 0.44 -0.38 -0.21 0.00 0.09 0.00 0.00 57.88 57.82 1bay h LEU 175 Cb 0.47 -0.27 0.01 0.00 0.09 0.00 0.00 40.66 40.96 1bay h LEU 175 CO -0.20 1.16 -0.67 -0.07 0.09 0.00 0.00 178.44 178.75 1bay h LEU 176 N 0.81 0.95 -0.83 1.67 3.38 -1.82 -1.28 115.31 118.20 1bay h LEU 176 Ca 0.10 -0.57 0.00 0.00 0.09 0.00 0.00 57.88 57.50 1bay h LEU 176 Cb 0.81 -0.28 -0.04 0.00 0.09 0.00 0.00 40.66 41.24 1bay h LEU 176 CO 0.07 1.37 0.52 0.28 0.09 0.00 0.00 178.44 180.76 1bay h SER 177 N 0.59 0.98 -0.24 -0.43 0.02 -1.10 -0.37 113.55 113.00 1bay h SER 177 Ca -0.02 -0.05 -0.07 0.00 -0.84 0.00 0.00 61.79 60.81 1bay h SER 177 Cb 1.29 -0.25 -0.01 0.00 0.14 0.00 0.00 62.40 63.58 1bay h SER 177 CO 0.14 0.74 -0.12 0.00 -1.14 0.00 0.00 176.83 176.45 1bay h ALA 178 N 1.28 0.34 -0.24 3.77 0.00 -1.14 -2.76 119.26 120.51 1bay h ALA 178 Ca 0.30 -0.31 0.04 0.00 0.00 0.00 0.00 54.91 54.95 1bay h ALA 178 Cb -0.07 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 17.59 1bay h ALA 178 CO -0.06 0.20 -0.03 -0.92 0.00 0.00 0.00 179.25 178.44 1bay h TYR 179 N 0.23 -0.07 -0.32 0.00 3.20 -0.87 0.19 116.97 119.32 1bay h TYR 179 Ca 0.05 0.02 0.01 0.00 3.14 0.00 0.00 58.73 61.95 1bay h TYR 179 Cb 0.62 0.07 -0.02 0.00 1.54 0.00 0.00 36.73 38.94 1bay h TYR 179 CO 0.06 -0.07 0.20 0.28 -1.64 0.00 0.00 178.16 176.99 1bay h VAL 180 N 0.04 1.06 -0.59 1.81 2.07 -1.08 -0.43 116.25 119.11 1bay h VAL 180 Ca 0.12 -0.14 -0.02 0.00 0.82 0.00 0.00 66.70 67.48 1bay h VAL 180 Cb 0.16 0.61 -0.03 0.00 -1.52 0.00 0.00 31.29 30.52 1bay h VAL 180 CO -0.22 0.07 0.29 0.00 0.02 0.00 0.00 177.57 177.74 1bay h ALA 181 N 1.13 0.77 0.46 1.67 0.00 -1.15 -0.61 119.26 121.53 1bay h ALA 181 Ca 0.12 -0.13 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 1bay h ALA 181 Cb -0.02 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.54 1bay h ALA 181 CO -0.04 0.32 -0.22 -0.09 0.00 0.00 0.00 179.25 179.21 1bay h ARG 182 N 0.81 -0.59 0.00 0.00 2.43 -0.16 -2.58 114.38 114.30 1bay h ARG 182 Ca 0.21 0.04 -0.10 0.00 -0.81 0.00 0.00 59.98 59.32 1bay h ARG 182 Cb 0.10 0.13 -0.01 0.00 -0.42 0.00 0.00 29.97 29.77 1bay h ARG 182 CO -0.03 -0.38 -0.46 -0.07 -1.51 0.00 0.00 179.97 177.53 1bay h LEU 183 N -0.65 0.00 -1.41 3.80 4.07 -1.05 -2.64 115.31 117.44 1bay h LEU 183 Ca -0.06 0.00 -0.02 0.00 0.08 0.00 0.00 57.88 57.88 1bay h LEU 183 Cb 0.49 0.00 -0.00 0.00 1.08 0.00 0.00 40.66 42.23 1bay h LEU 183 CO 0.10 0.46 -0.08 0.28 -1.08 0.00 0.00 178.44 178.12 1bay h SER 184 N 0.00 0.00 0.92 -0.43 0.02 -1.02 -2.76 113.55 110.29 1bay h SER 184 Ca -0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1bay h SER 184 Cb 0.83 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.37 1bay h SER 184 CO 0.06 0.08 -0.25 0.00 -1.14 0.00 0.00 176.83 175.58 1bay n ALA 185 N -2.15 2.77 -1.68 3.77 0.00 -0.98 -3.65 120.51 118.59 1bay n ALA 185 Ca 0.00 -0.18 -0.45 0.00 0.00 0.00 0.00 53.44 52.81 1bay n ALA 185 Cb 0.34 -1.32 -0.04 0.00 0.00 0.00 0.00 19.45 18.43 1bay n ALA 185 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1bay n ARG 186 N -1.74 2.46 -0.31 0.00 1.74 -1.04 -4.76 116.66 113.00 1bay n ARG 186 Ca 0.06 0.89 -0.06 0.00 -0.77 0.00 0.00 57.85 57.97 1bay n ARG 186 Cb 0.37 -2.75 -0.05 0.00 -1.02 0.00 0.00 32.46 29.01 1bay n ARG 186 CO 0.00 0.00 0.00 -2.30 -1.52 0.00 0.00 177.63 173.81 1bay n PRO 187 N 5.75 -0.30 0.16 5.56 -0.02 -1.26 -0.39 135.00 144.50 1bay n PRO 187 Ca 0.20 1.16 0.01 0.00 -2.02 0.00 0.00 63.50 62.85 1bay n PRO 187 Cb 0.33 -1.71 0.32 0.00 -0.02 0.00 0.00 33.50 32.42 1bay n PRO 187 CO 0.00 0.00 0.00 0.87 1.98 0.00 0.00 175.50 178.35 1bay h LYS 188 N 0.00 0.08 0.10 -0.52 1.57 -1.91 -0.50 116.57 115.39 1bay h LYS 188 Ca 0.16 -0.03 -0.28 0.00 -1.87 0.00 0.00 60.65 58.63 1bay h LYS 188 Cb 0.35 -0.00 0.02 0.00 0.08 0.00 0.00 32.23 32.67 1bay h LYS 188 CO -0.73 0.43 -1.19 0.82 -0.57 0.00 0.00 179.45 178.22 1bay h ILE 189 N 0.07 1.38 -0.50 1.86 2.04 -1.49 -2.20 117.51 118.66 1bay h ILE 189 Ca 0.01 -2.66 -0.02 0.00 1.00 0.00 0.00 64.86 63.18 1bay h ILE 189 Cb 0.68 2.73 -0.02 0.00 -0.74 0.00 0.00 36.82 39.47 1bay h ILE 189 CO 0.05 0.79 0.22 0.50 0.00 0.00 0.00 178.15 179.71 1bay h LYS 190 N 0.19 0.74 -0.20 2.37 3.64 -0.51 0.11 116.57 122.90 1bay h LYS 190 Ca -0.15 -0.12 -0.00 0.00 -1.27 0.00 0.00 60.65 59.11 1bay h LYS 190 Cb 1.87 -0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 33.55 1bay h LYS 190 CO 0.21 0.64 0.12 0.00 -2.27 0.00 0.00 179.45 178.15 1bay h ALA 191 N 1.06 0.26 -0.15 5.00 0.00 -1.12 -2.04 119.26 122.27 1bay h ALA 191 Ca 0.17 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 55.04 1bay h ALA 191 Cb 0.16 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 1bay h ALA 191 CO -0.02 -0.23 0.10 0.35 0.00 0.00 0.00 179.25 179.44 1bay h PHE 192 N 0.24 0.20 0.00 0.00 3.57 -1.02 -2.06 116.94 117.88 1bay h PHE 192 Ca 0.07 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.57 1bay h PHE 192 Cb 0.02 -0.07 0.00 0.00 2.79 0.00 0.00 35.95 38.70 1bay h PHE 192 CO -0.05 0.15 0.00 -0.07 -2.23 0.00 0.00 178.31 176.12 1bay h LEU 193 N 0.19 0.00 -1.58 0.59 3.38 -0.65 -0.55 115.31 116.68 1bay h LEU 193 Ca 0.06 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.03 1bay h LEU 193 Cb 0.01 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.76 1bay h LEU 193 CO -0.01 0.00 -0.08 -1.20 0.09 0.00 0.00 178.44 177.24 1bay n SER 194 N -3.01 2.54 -4.80 -0.43 7.64 -0.78 -4.60 113.62 110.18 1bay n SER 194 Ca -0.02 -1.81 -0.35 0.00 1.01 0.00 0.00 58.87 57.71 1bay n SER 194 Cb 0.14 0.08 -0.04 0.00 -1.01 0.00 0.00 64.21 63.37 1bay n SER 194 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1bay s SER 195 N -2.09 6.58 0.21 6.43 1.04 -0.22 -4.87 113.70 120.79 1bay s SER 195 Ca 0.28 1.91 -0.10 0.00 0.48 0.00 0.00 55.95 58.53 1bay s SER 195 Cb 0.20 -2.56 0.19 0.00 0.10 0.00 0.00 66.02 63.94 1bay s SER 195 CO 0.35 -0.61 1.88 -0.65 0.98 0.00 0.00 173.24 175.19 1bay h PRO 196 N 1.91 0.98 -0.68 4.02 0.11 -1.92 0.15 132.00 136.57 1bay h PRO 196 Ca -0.49 -0.06 0.09 0.00 0.11 0.00 0.00 66.00 65.65 1bay h PRO 196 Cb 1.21 -0.22 -0.04 0.00 0.11 0.00 0.00 31.00 32.06 1bay h PRO 196 CO 0.60 0.65 0.45 1.05 -0.21 0.00 0.00 178.00 180.54 1bay h GLU 197 N 1.01 0.54 0.07 1.05 4.11 -1.93 0.10 114.58 119.53 1bay h GLU 197 Ca 0.29 -0.03 -0.16 0.00 0.07 0.00 0.00 59.36 59.53 1bay h GLU 197 Cb -0.07 -0.12 -0.00 0.00 0.50 0.00 0.00 28.75 29.06 1bay h GLU 197 CO -0.08 0.36 -0.78 1.25 0.07 0.00 0.00 179.01 179.82 1bay h HIS 198 N 0.56 0.25 -0.89 2.06 2.76 -1.64 -3.37 115.15 114.87 1bay h HIS 198 Ca 0.31 -0.19 0.05 0.00 -2.20 0.00 0.00 60.37 58.34 1bay h HIS 198 Cb 0.47 -0.01 -0.05 0.00 1.55 0.00 0.00 27.41 29.37 1bay h HIS 198 CO -0.00 1.30 0.58 0.28 -1.30 0.00 0.00 177.93 178.80 1bay h VAL 199 N -0.66 1.12 -1.61 5.26 2.07 -0.21 -3.04 116.25 119.17 1bay h VAL 199 Ca -0.17 -0.37 -0.73 0.00 0.82 0.00 0.00 66.70 66.25 1bay h VAL 199 Cb 1.41 -0.05 -0.29 0.00 -1.52 0.00 0.00 31.29 30.84 1bay h VAL 199 CO 0.02 0.20 0.86 0.59 0.02 0.00 0.00 177.57 179.26 1bay n ASN 200 N -4.46 7.38 -3.75 0.57 3.02 0.32 -4.88 115.26 113.46 1bay n ASN 200 Ca 0.12 -3.81 -0.22 0.00 -0.03 0.00 0.00 54.58 50.64 1bay n ASN 200 Cb 0.14 -0.99 -0.18 0.00 -0.61 0.00 0.00 39.78 38.15 1bay n ASN 200 CO 0.00 0.00 0.00 -0.60 -2.62 0.00 0.00 177.26 174.04 1bay s ARG 201 N -3.96 0.43 0.57 3.52 3.52 -1.15 -4.98 118.95 116.90 1bay s ARG 201 Ca 0.56 0.17 -0.20 0.00 -0.13 0.00 0.00 55.73 56.13 1bay s ARG 201 Cb 0.46 -0.82 -0.04 0.00 -1.56 0.00 0.00 34.95 32.99 1bay s ARG 201 CO -0.26 -0.29 1.27 -1.25 -0.81 0.00 0.00 175.30 173.95 1bay s PRO 202 N 1.93 3.06 0.12 5.12 0.04 -1.26 -4.63 135.00 139.38 1bay s PRO 202 Ca 0.04 1.99 -0.19 0.00 0.04 0.00 0.00 61.00 62.88 1bay s PRO 202 Cb -0.12 -2.09 -0.06 0.00 0.04 0.00 0.00 34.50 32.27 1bay s PRO 202 CO -0.04 -1.18 1.72 0.82 0.04 0.00 0.00 177.00 178.36 1bay h ILE 203 N 1.15 1.11 -2.36 0.56 2.04 -1.94 0.15 117.51 118.21 1bay h ILE 203 Ca -0.51 -0.29 -0.55 0.00 1.00 0.00 0.00 64.86 64.52 1bay h ILE 203 Cb 1.30 0.85 -0.14 0.00 -0.74 0.00 0.00 36.82 38.09 1bay h ILE 203 CO 0.56 0.11 -0.69 0.20 0.00 0.00 0.00 178.15 178.33 1bay s ASN 204 N -5.52 3.19 0.00 1.72 -0.87 -1.26 -0.59 114.94 111.61 1bay s ASN 204 Ca -0.13 -1.15 0.28 0.00 -1.57 0.00 0.00 52.86 50.28 1bay s ASN 204 Cb 0.09 -0.25 1.60 0.00 -0.02 0.00 0.00 41.25 42.67 1bay s ASN 204 CO 0.71 -0.23 1.99 0.61 -2.57 0.00 0.00 177.10 177.61 1bay n GLY 205 N -0.64 -0.93 0.24 0.66 0.00 -1.26 -3.44 105.19 99.82 1bay n GLY 205 Ca -0.05 -0.16 0.02 0.00 0.00 0.00 0.00 46.02 45.83 1bay n GLY 205 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1bay n ASN 206 N -1.06 2.37 0.00 1.61 2.04 -1.26 -4.98 115.26 113.98 1bay n ASN 206 Ca 0.19 -2.05 0.00 0.00 -0.44 0.00 0.00 54.58 52.29 1bay n ASN 206 Cb 0.12 -0.10 0.00 0.00 -2.53 0.00 0.00 39.78 37.27 1bay n ASN 206 CO 0.00 0.00 0.00 0.61 -0.44 0.00 0.00 177.26 177.43 1bay n GLY 207 N -0.16 3.00 3.88 4.83 0.00 -1.22 -5.00 105.19 110.51 1bay n GLY 207 Ca 0.05 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.76 1bay n GLY 207 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1bay s LYS 208 N 0.00 3.77 0.00 1.61 1.02 -1.26 -5.02 119.74 119.87 1bay s LYS 208 Ca 0.00 0.29 0.00 0.00 0.02 0.00 0.00 55.97 56.28 1bay s LYS 208 Cb 0.00 -2.56 0.00 0.00 -0.52 0.00 0.00 37.83 34.75 1bay s LYS 208 CO 0.00 0.19 0.00 0.00 -0.92 0.00 0.00 175.35 174.62