#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3mly s VAL 2 N 0.00 4.45 0.07 5.09 1.01 -1.26 -4.34 120.40 125.42 3mly s VAL 2 Ca 0.00 1.76 0.04 0.00 0.00 0.00 0.00 61.98 63.77 3mly s VAL 2 Cb 0.00 -4.13 -0.03 0.00 0.00 0.00 0.00 36.38 32.22 3mly s VAL 2 CO 0.00 0.10 -0.10 -1.10 0.00 0.00 0.00 175.10 174.00 3mly s GLN 3 N 1.30 0.72 0.04 2.72 -0.21 -0.59 -4.97 119.66 118.66 3mly s GLN 3 Ca 0.55 -0.95 0.08 0.00 0.02 0.00 0.00 55.36 55.06 3mly s GLN 3 Cb -0.25 -0.53 -0.03 0.00 1.00 0.00 0.00 33.01 33.21 3mly s GLN 3 CO 0.27 0.10 -0.22 -0.51 -2.12 0.00 0.00 175.29 172.81 3mly s LEU 4 N -1.92 2.42 -0.08 2.90 1.02 -1.26 -1.32 118.68 120.43 3mly s LEU 4 Ca -0.02 -0.49 -0.04 0.00 0.02 0.00 0.00 54.13 53.60 3mly s LEU 4 Cb -0.08 -1.42 0.05 0.00 0.02 0.00 0.00 46.19 44.76 3mly s LEU 4 CO 0.01 0.26 0.18 -1.58 0.02 0.00 0.00 176.35 175.24 3mly s GLN 5 N -1.32 0.09 0.32 1.70 2.00 -0.56 -4.23 119.66 117.67 3mly s GLN 5 Ca 0.13 0.49 -0.21 0.00 -2.00 0.00 0.00 55.36 53.78 3mly s GLN 5 Cb -0.10 -0.19 -0.10 0.00 0.80 0.00 0.00 33.01 33.42 3mly s GLN 5 CO 0.04 -0.22 0.84 -1.21 -0.50 0.00 0.00 175.29 174.24 3mly s GLU 6 N 1.67 4.30 -0.13 1.67 8.01 -1.26 -0.51 118.70 132.45 3mly s GLU 6 Ca -0.04 1.02 0.01 0.00 0.01 0.00 0.00 54.97 55.97 3mly s GLU 6 Cb -0.12 -2.60 0.02 0.00 -4.31 0.00 0.00 34.13 27.12 3mly s GLU 6 CO -0.07 0.21 -0.13 0.45 0.01 0.00 0.00 175.26 175.73 3mly s SER 7 N -1.89 2.55 0.26 -0.19 0.15 0.89 -4.86 113.70 110.61 3mly s SER 7 Ca 0.52 -0.45 0.03 0.00 0.70 0.00 0.00 55.95 56.75 3mly s SER 7 Cb -0.14 -1.11 -0.04 0.00 -1.71 0.00 0.00 66.02 63.02 3mly s SER 7 CO 0.19 -0.05 0.19 -0.83 1.20 0.00 0.00 173.24 173.94 3mly s GLY 8 N 1.40 1.84 0.01 9.45 0.00 -1.26 -1.84 107.32 116.92 3mly s GLY 8 Ca 0.02 -1.84 0.25 0.00 0.00 0.00 0.00 44.72 43.15 3mly s GLY 8 CO -0.08 -1.45 1.43 -1.55 0.00 0.00 0.00 173.10 171.44 3mly n PRO 9 N -0.44 0.03 0.00 2.90 -0.04 -1.26 -4.98 135.00 131.20 3mly n PRO 9 Ca 0.04 0.01 0.00 0.00 -0.04 0.00 0.00 63.50 63.50 3mly n PRO 9 Cb 0.65 -1.52 0.00 0.00 -0.04 0.00 0.00 33.50 32.59 3mly n PRO 9 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3mly n GLY 10 N 1.49 2.13 3.31 0.55 0.00 -1.26 -4.83 105.19 106.58 3mly n GLY 10 Ca 0.05 -0.11 -0.32 0.00 0.00 0.00 0.00 46.02 45.64 3mly n GLY 10 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3mly s LEU 11 N 0.00 2.27 0.04 0.99 2.96 -1.26 -0.60 118.68 123.08 3mly s LEU 11 Ca 0.00 -0.44 0.03 0.00 -0.22 0.00 0.00 54.13 53.50 3mly s LEU 11 Cb 0.00 -1.44 -0.02 0.00 0.50 0.00 0.00 46.19 45.23 3mly s LEU 11 CO 0.00 0.23 -0.11 -0.69 -1.32 0.00 0.00 176.35 174.47 3mly s VAL 12 N -0.09 0.80 0.17 1.68 1.01 -0.20 -4.95 120.40 118.82 3mly s VAL 12 Ca -0.05 -0.97 -0.16 0.00 0.00 0.00 0.00 61.98 60.81 3mly s VAL 12 Cb -0.14 -0.78 -0.07 0.00 0.00 0.00 0.00 36.38 35.39 3mly s VAL 12 CO 0.04 -0.16 0.60 -0.54 0.00 0.00 0.00 175.10 175.04 3mly s LYS 13 N -1.26 4.04 0.32 2.72 -0.14 -1.26 -1.43 119.74 122.73 3mly s LYS 13 Ca -0.03 0.59 -0.27 0.00 -1.36 0.00 0.00 55.97 54.89 3mly s LYS 13 Cb -0.08 -2.90 -0.13 0.00 -1.68 0.00 0.00 37.83 33.04 3mly s LYS 13 CO 0.01 0.44 1.05 -2.30 -0.76 0.00 0.00 175.35 173.80 3mly n PRO 14 N 0.73 1.48 0.00 -1.68 -0.02 -1.26 -1.61 135.00 132.64 3mly n PRO 14 Ca -0.04 0.52 0.00 0.00 -2.02 0.00 0.00 63.50 61.96 3mly n PRO 14 Cb 0.52 -1.95 0.00 0.00 -0.02 0.00 0.00 33.50 32.04 3mly n PRO 14 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 3mly n SER 15 N 1.04 0.00 -4.78 2.55 3.41 0.92 -4.92 113.62 111.84 3mly n SER 15 Ca 0.09 0.00 -0.29 0.00 -0.26 0.00 0.00 58.87 58.41 3mly n SER 15 Cb 0.34 0.00 0.11 0.00 -0.26 0.00 0.00 64.21 64.39 3mly n SER 15 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 3mly s GLU 16 N -0.40 1.72 -0.18 4.33 2.02 -0.63 -4.06 118.70 121.50 3mly s GLU 16 Ca 0.00 0.05 -0.11 0.00 0.02 0.00 0.00 54.97 54.93 3mly s GLU 16 Cb 0.00 -1.93 -0.05 0.00 0.10 0.00 0.00 34.13 32.25 3mly s GLU 16 CO 0.00 -1.76 0.19 0.99 0.02 0.00 0.00 175.26 174.70 3mly s THR 17 N -3.60 5.38 -0.11 3.63 2.01 -1.26 -1.52 115.64 120.17 3mly s THR 17 Ca 0.64 0.32 -0.21 0.00 0.31 0.00 0.00 61.69 62.74 3mly s THR 17 Cb -0.10 -3.52 -0.04 0.00 0.01 0.00 0.00 72.50 68.85 3mly s THR 17 CO 0.50 0.44 0.61 -0.22 -0.69 0.00 0.00 174.62 175.25 3mly s LEU 18 N 0.26 4.27 -0.14 4.42 2.96 0.48 -4.93 118.68 126.00 3mly s LEU 18 Ca 0.12 0.98 0.02 0.00 -0.22 0.00 0.00 54.13 55.03 3mly s LEU 18 Cb -0.12 -2.90 0.01 0.00 0.50 0.00 0.00 46.19 43.67 3mly s LEU 18 CO 0.01 -0.10 -0.20 -0.44 -1.32 0.00 0.00 176.35 174.29 3mly s SER 19 N 0.81 3.26 0.14 3.68 0.01 -1.26 -0.93 113.70 119.42 3mly s SER 19 Ca 0.32 -0.57 0.10 0.00 1.31 0.00 0.00 55.95 57.11 3mly s SER 19 Cb -0.16 -1.47 -0.04 0.00 0.21 0.00 0.00 66.02 64.55 3mly s SER 19 CO 0.14 0.09 -0.24 -0.76 0.41 0.00 0.00 173.24 172.87 3mly s LEU 20 N 0.78 2.36 0.02 2.44 1.43 -0.24 -4.53 118.68 120.93 3mly s LEU 20 Ca -0.07 -0.78 0.05 0.00 -1.03 0.00 0.00 54.13 52.30 3mly s LEU 20 Cb -0.16 -1.10 -0.02 0.00 0.03 0.00 0.00 46.19 44.95 3mly s LEU 20 CO -0.01 0.12 -0.16 -0.89 0.23 0.00 0.00 176.35 175.64 3mly s THR 21 N -1.33 1.25 -0.15 5.49 2.01 -0.77 -1.23 115.64 120.91 3mly s THR 21 Ca 0.14 -0.87 -0.02 0.00 0.31 0.00 0.00 61.69 61.26 3mly s THR 21 Cb -0.09 -1.08 -0.02 0.00 0.01 0.00 0.00 72.50 71.33 3mly s THR 21 CO 0.07 0.20 -0.09 0.00 -0.69 0.00 0.00 174.62 174.10 3mly s THR 23 N 0.58 4.57 -0.24 0.00 2.01 0.34 -1.91 115.64 120.99 3mly s THR 23 Ca -0.06 -0.09 -0.10 0.00 0.31 0.00 0.00 61.69 61.76 3mly s THR 23 Cb -0.15 -3.12 -0.05 0.00 0.01 0.00 0.00 72.50 69.19 3mly s THR 23 CO 0.03 0.36 0.14 -0.69 -0.69 0.00 0.00 174.62 173.77 3mly s VAL 24 N 1.31 5.10 0.19 3.82 1.01 -0.31 -1.49 120.40 130.02 3mly s VAL 24 Ca 0.05 0.09 0.10 0.00 0.00 0.00 0.00 61.98 62.23 3mly s VAL 24 Cb -0.15 -3.38 -0.04 0.00 0.00 0.00 0.00 36.38 32.81 3mly s VAL 24 CO 0.04 0.34 -0.22 -0.94 0.00 0.00 0.00 175.10 174.32 3mly s SER 25 N 1.20 3.18 0.00 3.32 1.04 -0.44 -4.73 113.70 117.27 3mly s SER 25 Ca 0.07 -0.87 0.00 0.00 0.48 0.00 0.00 55.95 55.63 3mly s SER 25 Cb -0.14 -0.22 0.00 0.00 0.10 0.00 0.00 66.02 65.76 3mly s SER 25 CO 0.05 0.06 0.00 0.61 0.98 0.00 0.00 173.24 174.95 3mly n GLY 26 N 0.25 0.56 0.00 7.32 0.00 -1.26 -1.54 105.19 110.52 3mly n GLY 26 Ca -0.12 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.90 3mly n GLY 26 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3mly n GLY 27 N -2.87 0.31 3.93 -0.02 0.00 -1.26 -4.20 105.19 101.07 3mly n GLY 27 Ca 0.00 -0.92 -0.28 0.00 0.00 0.00 0.00 46.02 44.82 3mly n GLY 27 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3mly s SER 28 N 0.00 6.39 0.54 1.61 0.15 -1.26 -4.94 113.70 116.19 3mly s SER 28 Ca 0.00 0.39 0.33 0.00 0.70 0.00 0.00 55.95 57.37 3mly s SER 28 Cb 0.00 -2.00 1.29 0.00 -1.71 0.00 0.00 66.02 63.59 3mly s SER 28 CO 0.00 -0.02 1.96 0.40 1.20 0.00 0.00 173.24 176.77 3mly h ILE 29 N 1.60 0.00 -3.16 6.45 2.04 -1.91 -3.46 117.51 119.07 3mly h ILE 29 Ca -0.48 -0.55 -0.56 0.00 1.00 0.00 0.00 64.86 64.27 3mly h ILE 29 Cb 1.19 1.55 0.09 0.00 -0.74 0.00 0.00 36.82 38.91 3mly h ILE 29 CO 0.69 0.00 0.67 -0.24 0.00 0.00 0.00 178.15 179.27 3mly n SER 30 N -3.09 3.17 0.00 1.72 2.88 -1.26 -2.68 113.62 114.36 3mly n SER 30 Ca 0.01 1.17 0.00 0.00 -1.33 0.00 0.00 58.87 58.72 3mly n SER 30 Cb 0.32 -1.51 0.00 0.00 -0.75 0.00 0.00 64.21 62.27 3mly n SER 30 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3mly n GLY 31 N 1.57 0.79 3.29 0.46 0.00 -1.26 -5.03 105.19 105.01 3mly n GLY 31 Ca 0.08 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.93 3mly n GLY 31 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3mly s PHE 32 N -2.99 1.47 0.01 1.61 0.40 -1.09 -5.01 117.98 112.37 3mly s PHE 32 Ca 0.00 -0.67 -0.06 0.00 -0.60 0.00 0.00 56.93 55.60 3mly s PHE 32 Cb 0.00 -0.71 -0.05 0.00 0.51 0.00 0.00 43.02 42.77 3mly s PHE 32 CO 0.00 0.21 0.26 -1.01 0.70 0.00 0.00 175.22 175.38 3mly s HIS 33 N -3.13 3.57 0.02 0.36 3.76 -1.26 -1.96 115.29 116.64 3mly s HIS 33 Ca 0.19 0.55 0.04 0.00 -0.15 0.00 0.00 55.06 55.70 3mly s HIS 33 Cb 0.01 -1.97 -0.02 0.00 1.11 0.00 0.00 32.58 31.71 3mly s HIS 33 CO 0.03 0.61 -0.14 -1.58 -0.85 0.00 0.00 174.74 172.82 3mly s TRP 34 N -1.30 1.20 0.18 1.40 0.52 0.07 -1.06 118.94 119.95 3mly s TRP 34 Ca 0.28 -0.29 0.04 0.00 0.02 0.00 0.00 56.10 56.14 3mly s TRP 34 Cb -0.13 -0.74 -0.05 0.00 -1.15 0.00 0.00 33.47 31.40 3mly s TRP 34 CO 0.16 0.01 -0.05 -1.12 0.02 0.00 0.00 176.95 175.97 3mly s SER 35 N -0.76 1.74 -0.07 2.95 0.01 -0.19 -0.18 113.70 117.20 3mly s SER 35 Ca 0.03 -1.11 0.02 0.00 1.31 0.00 0.00 55.95 56.20 3mly s SER 35 Cb -0.07 0.01 -0.02 0.00 0.21 0.00 0.00 66.02 66.15 3mly s SER 35 CO 0.00 -0.43 -0.12 0.26 0.41 0.00 0.00 173.24 173.37 3mly s TRP 36 N -3.40 2.79 0.01 2.43 0.52 -1.16 -1.03 118.94 119.11 3mly s TRP 36 Ca 0.22 -0.20 0.03 0.00 0.02 0.00 0.00 56.10 56.17 3mly s TRP 36 Cb 0.04 -1.70 -0.01 0.00 -1.15 0.00 0.00 33.47 30.65 3mly s TRP 36 CO 0.04 0.15 -0.09 0.42 0.02 0.00 0.00 176.95 177.48 3mly s ILE 37 N -0.52 0.71 0.19 2.03 1.09 0.04 -0.93 121.20 123.80 3mly s ILE 37 Ca 0.07 -0.63 0.06 0.00 -1.10 0.00 0.00 60.65 59.05 3mly s ILE 37 Cb -0.12 -0.64 -0.05 0.00 -1.06 0.00 0.00 42.46 40.59 3mly s ILE 37 CO 0.02 0.02 -0.12 0.00 -0.10 0.00 0.00 174.94 174.76 3mly s ARG 38 N -0.68 1.24 -0.26 2.79 1.70 0.41 0.30 118.95 124.45 3mly s ARG 38 Ca 0.00 -1.55 -0.03 0.00 -0.47 0.00 0.00 55.73 53.68 3mly s ARG 38 Cb -0.05 -0.92 0.11 0.00 -0.57 0.00 0.00 34.95 33.51 3mly s ARG 38 CO 0.00 0.13 0.22 -1.14 -1.08 0.00 0.00 175.30 173.43 3mly s GLN 39 N -3.69 0.24 0.71 3.89 0.74 0.29 -0.59 119.66 121.24 3mly s GLN 39 Ca 0.21 -0.14 -0.16 0.00 0.05 0.00 0.00 55.36 55.32 3mly s GLN 39 Cb 0.01 -1.01 0.03 0.00 1.10 0.00 0.00 33.01 33.13 3mly s GLN 39 CO 0.05 -0.90 1.22 -2.14 -0.55 0.00 0.00 175.29 172.96 3mly s PRO 40 N 2.27 2.26 0.17 1.67 0.02 -1.26 -1.23 135.00 138.90 3mly s PRO 40 Ca 0.08 1.80 -0.33 0.00 0.02 0.00 0.00 61.00 62.57 3mly s PRO 40 Cb -0.15 -1.84 -0.13 0.00 0.02 0.00 0.00 34.50 32.39 3mly s PRO 40 CO -0.27 -1.75 1.60 -0.35 -0.33 0.00 0.00 177.00 175.90 3mly n PRO 41 N -2.53 2.28 -0.93 5.54 -0.04 -1.26 -1.14 135.00 136.92 3mly n PRO 41 Ca 0.14 0.82 0.00 0.00 -0.04 0.00 0.00 63.50 64.42 3mly n PRO 41 Cb 0.50 -2.60 0.00 0.00 -0.04 0.00 0.00 33.50 31.36 3mly n PRO 41 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3mly n GLY 42 N 3.48 0.36 2.37 0.55 0.00 -1.26 -4.97 105.19 105.72 3mly n GLY 42 Ca 0.17 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.99 3mly n GLY 42 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3mly n LYS 43 N -1.45 1.11 -2.31 1.61 4.76 -0.30 -5.15 118.16 116.43 3mly n LYS 43 Ca 0.00 -2.30 -0.26 0.00 -2.87 0.00 0.00 58.31 52.88 3mly n LYS 43 Cb 0.15 0.47 0.14 0.00 -1.84 0.00 0.00 35.03 33.95 3mly n LYS 43 CO 0.00 0.00 0.00 0.20 -1.37 0.00 0.00 177.40 176.23 3mly s GLY 44 N -2.98 1.77 0.26 0.72 0.00 -1.26 -4.66 107.32 101.16 3mly s GLY 44 Ca 0.08 -1.50 -0.22 0.00 0.00 0.00 0.00 44.72 43.08 3mly s GLY 44 CO 0.05 -0.85 0.80 1.08 0.00 0.00 0.00 173.10 174.18 3mly s LEU 45 N -5.46 4.33 -0.07 0.66 1.43 -1.26 -4.15 118.68 114.17 3mly s LEU 45 Ca 0.69 1.56 -0.01 0.00 -1.03 0.00 0.00 54.13 55.34 3mly s LEU 45 Cb -0.05 -3.75 0.03 0.00 0.03 0.00 0.00 46.19 42.45 3mly s LEU 45 CO 0.48 -0.01 -0.02 -0.70 0.23 0.00 0.00 176.35 176.33 3mly s GLU 46 N -2.03 0.76 0.25 1.70 2.12 0.24 -4.97 118.70 116.77 3mly s GLU 46 Ca 0.46 0.02 -0.30 0.00 0.36 0.00 0.00 54.97 55.51 3mly s GLU 46 Cb -0.17 -1.00 -0.09 0.00 0.26 0.00 0.00 34.13 33.13 3mly s GLU 46 CO 0.22 -0.24 1.04 -0.47 -0.54 0.00 0.00 175.26 175.27 3mly s TYR 47 N 1.68 3.72 -0.23 5.30 5.04 -1.26 -0.45 117.35 131.15 3mly s TYR 47 Ca 0.01 1.76 -0.01 0.00 -2.44 0.00 0.00 57.07 56.40 3mly s TYR 47 Cb -0.13 -3.18 -0.14 0.00 0.35 0.00 0.00 41.96 38.86 3mly s TYR 47 CO -0.04 -0.21 -0.22 -0.89 -1.34 0.00 0.00 175.55 172.85 3mly n ILE 48 N 1.44 1.29 0.00 3.14 5.41 -0.10 -4.71 119.36 125.83 3mly n ILE 48 Ca -0.01 -0.46 0.00 0.00 1.00 0.00 0.00 62.75 63.28 3mly n ILE 48 Cb 0.46 -1.39 0.00 0.00 -0.71 0.00 0.00 39.64 38.00 3mly n ILE 48 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 3mly n GLY 49 N 2.26 -0.17 3.29 7.39 0.00 -1.24 -0.57 105.19 116.15 3mly n GLY 49 Ca -0.41 -1.12 -0.18 0.00 0.00 0.00 0.00 46.02 44.31 3mly n GLY 49 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3mly s TYR 50 N -2.00 1.53 -0.03 1.61 -0.85 0.42 -2.99 117.35 115.04 3mly s TYR 50 Ca 0.00 -0.60 0.01 0.00 -0.52 0.00 0.00 57.07 55.95 3mly s TYR 50 Cb 0.00 -0.75 0.02 0.00 0.38 0.00 0.00 41.96 41.61 3mly s TYR 50 CO 0.00 0.23 -0.02 -1.50 -1.52 0.00 0.00 175.55 172.74 3mly s ILE 51 N -2.75 0.29 0.44 -3.49 -1.16 0.75 -1.66 121.20 113.62 3mly s ILE 51 Ca 0.17 -0.01 -0.13 0.00 -0.51 0.00 0.00 60.65 60.18 3mly s ILE 51 Cb -0.01 -0.34 -0.07 0.00 0.61 0.00 0.00 42.46 42.64 3mly s ILE 51 CO 0.04 0.16 0.84 -0.47 -2.81 0.00 0.00 174.94 172.70 3mly s TYR 52 N 0.82 3.46 0.53 3.50 5.04 0.27 -0.75 117.35 130.23 3mly s TYR 52 Ca -0.09 1.19 0.23 0.00 -2.44 0.00 0.00 57.07 55.96 3mly s TYR 52 Cb -0.12 -2.56 1.38 0.00 0.35 0.00 0.00 41.96 41.01 3mly s TYR 52 CO -0.01 -0.19 2.04 0.10 -1.34 0.00 0.00 175.55 176.15 3mly h TYR 53 N 1.17 0.00 -0.01 4.97 -0.00 -1.64 0.17 116.97 121.63 3mly h TYR 53 Ca -0.47 0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.26 3mly h TYR 53 Cb 1.19 0.00 0.00 0.00 0.00 0.00 0.00 36.73 37.92 3mly h TYR 53 CO 0.62 0.00 -0.08 -1.13 -0.00 0.00 0.00 178.16 177.57 3mly n SER 54 N -4.37 1.33 0.00 0.10 3.41 -1.26 -4.82 113.62 108.00 3mly n SER 54 Ca 0.06 -1.30 0.00 0.00 -0.26 0.00 0.00 58.87 57.37 3mly n SER 54 Cb 0.45 0.04 0.00 0.00 -0.26 0.00 0.00 64.21 64.44 3mly n SER 54 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3mly n GLY 55 N 1.22 1.70 3.77 5.00 0.00 0.05 -5.10 105.19 111.83 3mly n GLY 55 Ca 0.17 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.79 3mly n GLY 55 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3mly s SER 56 N -1.98 6.36 0.22 1.61 0.01 -1.26 -4.70 113.70 113.96 3mly s SER 56 Ca 0.00 2.71 0.08 0.00 1.31 0.00 0.00 55.95 60.05 3mly s SER 56 Cb 0.00 -2.64 -0.05 0.00 0.21 0.00 0.00 66.02 63.54 3mly s SER 56 CO 0.00 -0.82 -0.14 0.42 0.41 0.00 0.00 173.24 173.11 3mly s THR 57 N -1.22 1.77 -0.16 1.44 -4.23 -1.26 -0.56 115.64 111.42 3mly s THR 57 Ca 0.55 -2.22 -0.08 0.00 -1.18 0.00 0.00 61.69 58.77 3mly s THR 57 Cb -0.39 -2.11 0.06 0.00 1.34 0.00 0.00 72.50 71.40 3mly s THR 57 CO 0.51 -0.55 0.37 -0.55 -0.54 0.00 0.00 174.62 173.87 3mly s SER 58 N -3.34 -0.35 0.04 3.99 0.15 -0.66 -4.99 113.70 108.52 3mly s SER 58 Ca 0.24 0.82 0.07 0.00 0.70 0.00 0.00 55.95 57.78 3mly s SER 58 Cb -0.00 0.80 -0.03 0.00 -1.71 0.00 0.00 66.02 65.07 3mly s SER 58 CO 0.08 -0.20 -0.19 -0.31 1.20 0.00 0.00 173.24 173.83 3mly s TYR 59 N 1.67 2.55 -0.09 3.44 4.12 -1.26 -0.43 117.35 127.34 3mly s TYR 59 Ca -0.07 -0.26 -0.35 0.00 0.02 0.00 0.00 57.07 56.40 3mly s TYR 59 Cb -0.10 -1.47 -0.13 0.00 -1.52 0.00 0.00 41.96 38.75 3mly s TYR 59 CO -0.12 0.24 1.81 -1.71 0.02 0.00 0.00 175.55 175.79 3mly n ASN 60 N 1.61 3.17 -0.18 2.29 2.85 0.26 -4.73 115.26 120.54 3mly n ASN 60 Ca -0.16 1.01 0.26 0.00 -0.11 0.00 0.00 54.58 55.58 3mly n ASN 60 Cb 0.52 -1.33 0.68 0.00 1.24 0.00 0.00 39.78 40.89 3mly n ASN 60 CO 0.00 0.00 0.00 -0.65 -2.11 0.00 0.00 177.26 174.50 3mly h PRO 61 N 8.36 0.07 0.00 1.20 0.11 -1.94 0.21 132.00 140.01 3mly h PRO 61 Ca -0.48 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.63 3mly h PRO 61 Cb 1.28 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.37 3mly h PRO 61 CO 0.94 0.05 0.00 0.66 -0.21 0.00 0.00 178.00 179.44 3mly h SER 62 N 0.07 0.00 0.00 -2.05 4.64 -1.97 -3.20 113.55 111.04 3mly h SER 62 Ca 0.42 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.74 3mly h SER 62 Cb 1.57 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.66 3mly h SER 62 CO -0.04 0.00 -0.43 0.18 -0.87 0.00 0.00 176.83 175.67 3mly n LEU 63 N -2.55 0.09 -4.50 5.97 4.77 0.35 -5.00 117.00 116.13 3mly n LEU 63 Ca 0.02 -0.35 -0.39 0.00 -0.03 0.00 0.00 56.01 55.27 3mly n LEU 63 Cb 0.30 0.00 0.03 0.00 -2.33 0.00 0.00 43.42 41.42 3mly n LEU 63 CO 0.24 0.02 0.19 1.17 -1.33 0.00 0.00 177.39 177.68 3mly n LYS 64 N -1.23 0.65 0.00 3.23 4.81 0.46 -1.38 118.16 124.71 3mly n LYS 64 Ca 0.00 0.25 0.00 0.00 -0.87 0.00 0.00 58.31 57.69 3mly n LYS 64 Cb 0.05 -1.78 0.00 0.00 0.02 0.00 0.00 35.03 33.32 3mly n LYS 64 CO 0.00 0.00 0.00 -1.13 1.17 0.00 0.00 177.40 177.44 3mly n SER 65 N 0.41 0.00 -0.07 3.14 3.41 -1.26 -4.66 113.62 114.59 3mly n SER 65 Ca 0.12 0.00 0.03 0.00 -0.26 0.00 0.00 58.87 58.76 3mly n SER 65 Cb 0.46 0.00 -0.02 0.00 -0.26 0.00 0.00 64.21 64.39 3mly n SER 65 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 3mly n ARG 66 N -0.51 3.63 -4.70 4.33 1.74 -0.48 -5.04 116.66 115.62 3mly n ARG 66 Ca 0.00 -0.24 -0.33 0.00 -0.77 0.00 0.00 57.85 56.51 3mly n ARG 66 Cb 0.00 -0.89 -0.12 0.00 -1.02 0.00 0.00 32.46 30.43 3mly n ARG 66 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 3mly s VAL 67 N -1.35 3.48 0.00 1.55 1.01 -0.93 -4.09 120.40 120.07 3mly s VAL 67 Ca 0.04 -0.59 -0.04 0.00 0.00 0.00 0.00 61.98 61.39 3mly s VAL 67 Cb 0.05 -2.41 -0.00 0.00 0.00 0.00 0.00 36.38 34.01 3mly s VAL 67 CO 0.22 0.58 0.07 -0.94 0.00 0.00 0.00 175.10 175.03 3mly s SER 68 N -0.84 0.07 0.12 3.32 1.04 -0.38 -4.91 113.70 112.11 3mly s SER 68 Ca 0.12 -0.22 0.07 0.00 0.48 0.00 0.00 55.95 56.40 3mly s SER 68 Cb -0.11 0.17 -0.04 0.00 0.10 0.00 0.00 66.02 66.14 3mly s SER 68 CO 0.02 -0.28 -0.17 -0.04 0.98 0.00 0.00 173.24 173.74 3mly s MET 69 N -1.12 1.08 0.11 4.02 -1.94 -1.26 -0.45 119.30 119.74 3mly s MET 69 Ca -0.12 -1.20 -0.06 0.00 -1.71 0.00 0.00 55.69 52.59 3mly s MET 69 Cb -0.07 -1.16 -0.02 0.00 2.01 0.00 0.00 34.83 35.60 3mly s MET 69 CO 0.00 0.25 0.16 -1.54 -0.01 0.00 0.00 175.02 173.88 3mly s SER 70 N -2.20 0.19 -0.00 3.03 1.04 -1.13 -4.97 113.70 109.66 3mly s SER 70 Ca 0.08 -0.85 0.04 0.00 0.48 0.00 0.00 55.95 55.70 3mly s SER 70 Cb -0.08 0.33 -0.01 0.00 0.10 0.00 0.00 66.02 66.37 3mly s SER 70 CO 0.04 -0.75 -0.14 0.54 0.98 0.00 0.00 173.24 173.91 3mly s VAL 71 N -3.93 1.08 -0.60 5.02 0.11 -1.26 -0.62 120.40 120.22 3mly s VAL 71 Ca 0.11 -0.65 0.04 0.00 -2.93 0.00 0.00 61.98 58.56 3mly s VAL 71 Cb 0.05 -0.92 0.16 0.00 -1.53 0.00 0.00 36.38 34.14 3mly s VAL 71 CO -0.06 0.26 0.39 -0.62 -3.33 0.00 0.00 175.10 171.74 3mly s ASP 72 N -0.45 4.14 0.59 3.54 3.68 0.53 -4.96 116.67 123.75 3mly s ASP 72 Ca 0.05 -3.42 0.30 0.00 2.13 0.00 0.00 52.55 51.61 3mly s ASP 72 Cb -0.06 -1.41 1.83 0.00 -1.45 0.00 0.00 42.92 41.83 3mly s ASP 72 CO -0.00 -0.15 2.24 0.71 0.13 0.00 0.00 175.17 178.10 3mly h THR 73 N 4.76 0.49 0.00 1.71 1.35 -1.88 -0.77 112.91 118.57 3mly h THR 73 Ca 0.09 0.00 -0.06 0.00 -0.55 0.00 0.00 66.41 65.89 3mly h THR 73 Cb 0.82 0.97 -0.01 0.00 -1.73 0.00 0.00 68.15 68.21 3mly h THR 73 CO 0.64 0.00 -0.31 0.77 -0.25 0.00 0.00 175.52 176.37 3mly h SER 74 N 0.00 0.00 -0.31 5.36 4.64 -1.93 -2.68 113.55 118.63 3mly h SER 74 Ca 0.01 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.33 3mly h SER 74 Cb 0.08 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.17 3mly h SER 74 CO -0.00 0.31 0.00 0.54 -0.87 0.00 0.00 176.83 176.81 3mly n ARG 75 N -4.01 2.38 -4.04 4.77 1.74 -0.40 -4.97 116.66 112.12 3mly n ARG 75 Ca -0.02 -1.93 -0.31 0.00 -0.77 0.00 0.00 57.85 54.82 3mly n ARG 75 Cb 0.37 -1.29 -0.01 0.00 -1.02 0.00 0.00 32.46 30.50 3mly n ARG 75 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 3mly n ASN 76 N 0.68 -2.54 -4.29 0.55 5.03 -0.60 -4.77 115.26 109.31 3mly n ASN 76 Ca 0.12 -0.95 -0.21 0.00 0.87 0.00 0.00 54.58 54.41 3mly n ASN 76 Cb 0.42 -3.17 -0.12 0.00 -1.02 0.00 0.00 39.78 35.90 3mly n ASN 76 CO 0.00 0.00 0.00 -1.10 -1.83 0.00 0.00 177.26 174.33 3mly s GLN 77 N -6.69 1.16 0.19 3.52 -0.21 -0.97 -1.16 119.66 115.50 3mly s GLN 77 Ca 0.44 -1.29 0.01 0.00 0.02 0.00 0.00 55.36 54.54 3mly s GLN 77 Cb -0.24 -1.23 -0.05 0.00 1.00 0.00 0.00 33.01 32.50 3mly s GLN 77 CO 0.89 0.26 0.04 -0.59 -2.12 0.00 0.00 175.29 173.77 3mly s PHE 78 N -1.82 1.24 0.16 0.91 -0.12 -0.80 -0.35 117.98 117.19 3mly s PHE 78 Ca 0.11 -1.12 0.00 0.00 -0.05 0.00 0.00 56.93 55.87 3mly s PHE 78 Cb -0.07 -0.70 -0.04 0.00 -0.63 0.00 0.00 43.02 41.58 3mly s PHE 78 CO 0.05 -0.32 0.05 -1.12 -0.05 0.00 0.00 175.22 173.82 3mly s SER 79 N -3.19 0.66 -0.02 1.98 0.01 0.21 -0.17 113.70 113.19 3mly s SER 79 Ca 0.29 -1.22 0.03 0.00 1.31 0.00 0.00 55.95 56.35 3mly s SER 79 Cb 0.07 0.23 0.00 0.00 0.21 0.00 0.00 66.02 66.53 3mly s SER 79 CO 0.07 -0.68 -0.10 -0.22 0.41 0.00 0.00 173.24 172.72 3mly s LEU 80 N -3.12 1.84 -0.13 2.44 2.96 -0.36 -2.83 118.68 119.48 3mly s LEU 80 Ca 0.26 -0.20 0.02 0.00 -0.22 0.00 0.00 54.13 54.00 3mly s LEU 80 Cb 0.07 -0.57 0.01 0.00 0.50 0.00 0.00 46.19 46.20 3mly s LEU 80 CO 0.04 0.08 -0.20 -1.61 -1.32 0.00 0.00 176.35 173.34 3mly s GLU 81 N 0.09 2.83 0.32 1.98 0.41 0.40 -1.08 118.70 123.65 3mly s GLU 81 Ca -0.02 -0.78 0.08 0.00 -0.41 0.00 0.00 54.97 53.84 3mly s GLU 81 Cb -0.08 -2.31 -0.06 0.00 -1.78 0.00 0.00 34.13 29.90 3mly s GLU 81 CO 0.00 -0.04 -0.08 -1.17 -0.49 0.00 0.00 175.26 173.49 3mly s LEU 82 N 0.88 2.63 0.00 1.80 2.96 -0.10 -1.25 118.68 125.61 3mly s LEU 82 Ca -0.06 -1.20 0.00 0.00 -0.22 0.00 0.00 54.13 52.65 3mly s LEU 82 Cb -0.15 -0.85 0.00 0.00 0.50 0.00 0.00 46.19 45.68 3mly s LEU 82 CO -0.02 -0.26 0.00 -1.20 -1.32 0.00 0.00 176.35 173.54 3mly n SER 82 N -0.71 0.00 -4.79 3.68 7.64 -1.02 -0.38 113.62 118.03 3mly n SER 82 Ca -0.05 0.00 -0.33 0.00 1.01 0.00 0.00 58.87 59.50 3mly n SER 82 Cb 0.64 0.00 0.03 0.00 -1.01 0.00 0.00 64.21 63.87 3mly n SER 82 CO 0.00 0.00 0.00 0.68 -3.01 0.00 0.00 175.04 172.71 3mly s VAL 82 N -3.14 3.57 0.36 0.44 -7.23 -0.57 -4.59 120.40 109.24 3mly s VAL 82 Ca 0.00 0.71 0.06 0.00 -1.81 0.00 0.00 61.98 60.93 3mly s VAL 82 Cb 0.00 -3.25 -0.02 0.00 0.56 0.00 0.00 36.38 33.67 3mly s VAL 82 CO 0.00 -0.48 0.20 0.35 -0.31 0.00 0.00 175.10 174.87 3mly n THR 83 N -2.35 0.00 0.21 5.32 -2.24 -1.26 -0.06 114.28 113.91 3mly n THR 83 Ca 0.09 -2.34 0.14 0.00 -2.27 0.00 0.00 64.05 59.67 3mly n THR 83 Cb 0.53 0.99 0.77 0.00 -2.10 0.00 0.00 70.33 70.52 3mly n THR 83 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3mly h ALA 84 N 1.83 1.90 0.00 6.98 0.00 -1.86 0.16 119.26 128.27 3mly h ALA 84 Ca -0.27 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.63 3mly h ALA 84 Cb 1.18 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.98 3mly h ALA 84 CO 0.42 -0.20 0.00 0.00 0.00 0.00 0.00 179.25 179.47 3mly h ALA 85 N 1.88 1.00 -0.03 0.00 0.00 -1.93 -1.66 119.26 118.52 3mly h ALA 85 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.98 3mly h ALA 85 Cb 0.32 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.11 3mly h ALA 85 CO -0.00 0.00 0.00 -0.25 0.00 0.00 0.00 179.25 179.00 3mly n ASP 86 N -2.65 1.96 -4.68 0.00 8.00 0.54 -4.86 116.55 114.86 3mly n ASP 86 Ca -0.01 -1.66 -0.42 0.00 0.71 0.00 0.00 54.79 53.41 3mly n ASP 86 Cb 0.10 -0.01 -0.03 0.00 -0.02 0.00 0.00 41.12 41.16 3mly n ASP 86 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 3mly s THR 87 N -1.98 3.15 -0.10 -3.53 2.01 -0.63 -4.86 115.64 109.71 3mly s THR 87 Ca 0.35 0.53 -0.33 0.00 0.31 0.00 0.00 61.69 62.56 3mly s THR 87 Cb 0.21 -3.34 0.13 0.00 0.01 0.00 0.00 72.50 69.50 3mly s THR 87 CO 0.32 -0.01 1.19 0.00 -0.69 0.00 0.00 174.62 175.43 3mly s ALA 88 N 2.88 -2.08 -0.10 7.40 0.00 -0.83 -4.34 121.76 124.70 3mly s ALA 88 Ca 0.74 1.18 -0.29 0.00 0.00 0.00 0.00 51.96 53.59 3mly s ALA 88 Cb -0.39 0.12 -0.02 0.00 0.00 0.00 0.00 23.12 22.84 3mly s ALA 88 CO 0.32 -0.77 0.97 0.08 0.00 0.00 0.00 175.76 176.35 3mly s VAL 89 N -2.53 4.82 -0.20 0.00 1.01 -0.37 -0.95 120.40 122.18 3mly s VAL 89 Ca 0.11 1.97 -0.08 0.00 0.00 0.00 0.00 61.98 63.97 3mly s VAL 89 Cb 0.01 -4.28 -0.04 0.00 0.00 0.00 0.00 36.38 32.07 3mly s VAL 89 CO -0.04 0.04 0.08 -0.31 0.00 0.00 0.00 175.10 174.87 3mly s TYR 90 N 1.83 3.23 -0.07 5.22 1.51 0.01 -0.55 117.35 128.54 3mly s TYR 90 Ca 0.47 0.02 0.01 0.00 -1.01 0.00 0.00 57.07 56.56 3mly s TYR 90 Cb -0.18 -2.14 -0.03 0.00 -0.11 0.00 0.00 41.96 39.50 3mly s TYR 90 CO 0.19 0.05 -0.09 0.71 -1.11 0.00 0.00 175.55 175.30 3mly s TYR 91 N 0.70 2.88 0.13 2.71 2.02 0.15 -1.06 117.35 124.88 3mly s TYR 91 Ca 0.04 -0.05 0.00 0.00 -0.37 0.00 0.00 57.07 56.70 3mly s TYR 91 Cb -0.13 -1.70 -0.04 0.00 -0.40 0.00 0.00 41.96 39.69 3mly s TYR 91 CO 0.02 0.27 0.29 0.00 -1.57 0.00 0.00 175.55 174.56 3mly s ALA 93 N -1.69 -0.61 -0.09 0.00 0.00 -0.20 -1.21 121.76 117.97 3mly s ALA 93 Ca 0.36 -0.24 -0.09 0.00 0.00 0.00 0.00 51.96 52.00 3mly s ALA 93 Cb -0.12 0.51 -0.04 0.00 0.00 0.00 0.00 23.12 23.47 3mly s ALA 93 CO 0.28 -0.53 0.20 0.50 0.00 0.00 0.00 175.76 176.21 3mly s ARG 94 N -3.47 3.55 0.28 0.00 3.52 0.14 -1.02 118.95 121.94 3mly s ARG 94 Ca 0.01 -0.01 0.07 0.00 -0.13 0.00 0.00 55.73 55.68 3mly s ARG 94 Cb 0.02 -3.19 -0.03 0.00 -1.56 0.00 0.00 34.95 30.18 3mly s ARG 94 CO -0.09 0.76 0.20 -0.51 -0.81 0.00 0.00 175.30 174.85 3mly s ASP 95 N -1.05 5.36 0.22 -2.12 -0.00 -0.22 -1.50 116.67 117.35 3mly s ASP 95 Ca 0.17 -0.36 -0.08 0.00 -0.00 0.00 0.00 52.55 52.29 3mly s ASP 95 Cb -0.13 -1.23 -0.02 0.00 -0.00 0.00 0.00 42.92 41.54 3mly s ASP 95 CO 0.06 -0.12 0.31 0.72 -0.00 0.00 0.00 175.17 176.15 3mly s PHE 96 N -2.20 0.68 0.00 4.23 -0.12 -0.63 -4.60 117.98 115.33 3mly s PHE 96 Ca 0.35 -0.99 0.00 0.00 -0.05 0.00 0.00 56.93 56.24 3mly s PHE 96 Cb -0.07 -0.14 0.00 0.00 -0.63 0.00 0.00 43.02 42.18 3mly s PHE 96 CO 0.25 -0.81 0.00 0.41 -0.05 0.00 0.00 175.22 175.01 3mly n GLY 97 N -0.31 -0.53 3.10 1.99 0.00 -1.26 -1.38 105.19 106.80 3mly n GLY 97 Ca -0.01 -0.16 -0.19 0.00 0.00 0.00 0.00 46.02 45.65 3mly n GLY 97 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3mly s GLU 98 N -0.38 0.85 -0.11 1.61 2.56 -0.73 -4.94 118.70 117.56 3mly s GLU 98 Ca 0.00 -0.61 0.03 0.00 0.00 0.00 0.00 54.97 54.38 3mly s GLU 98 Cb 0.00 -0.82 -0.00 0.00 2.00 0.00 0.00 34.13 35.31 3mly s GLU 98 CO 0.00 0.21 -0.20 -0.47 -0.56 0.00 0.00 175.26 174.23 3mly s TYR 99 N -0.68 2.64 0.09 5.30 5.04 -1.26 -0.20 117.35 128.28 3mly s TYR 99 Ca 0.01 -0.93 0.07 0.00 -2.44 0.00 0.00 57.07 53.77 3mly s TYR 99 Cb -0.07 -1.76 -0.04 0.00 0.35 0.00 0.00 41.96 40.45 3mly s TYR 99 CO 0.01 -0.36 -0.09 -1.01 -1.34 0.00 0.00 175.55 172.75 3mly s HIS 100 N 0.36 2.77 -1.32 4.97 3.76 -0.20 -4.98 115.29 120.64 3mly s HIS 100 Ca -0.16 -0.14 0.15 0.00 -0.15 0.00 0.00 55.06 54.76 3mly s HIS 100 Cb -0.17 -1.46 0.40 0.00 1.11 0.00 0.00 32.58 32.46 3mly s HIS 100 CO 0.08 0.42 1.33 0.66 -0.85 0.00 0.00 174.74 176.37 3mly n TYR 100 N 0.80 0.59 -0.11 1.40 4.02 -1.26 -2.75 117.16 119.85 3mly n TYR 100 Ca -0.13 -0.47 0.09 0.00 -0.01 0.00 0.00 57.90 57.38 3mly n TYR 100 Cb 0.52 -0.02 0.29 0.00 -0.02 0.00 0.00 39.34 40.12 3mly n TYR 100 CO 0.00 0.00 0.00 -0.40 -1.01 0.00 0.00 176.86 175.45 3mly n ASP 100 N 0.90 3.68 0.00 7.72 5.75 -1.26 -4.89 116.55 128.45 3mly n ASP 100 Ca 0.15 -2.16 0.00 0.00 -0.01 0.00 0.00 54.79 52.78 3mly n ASP 100 Cb 0.49 -0.47 0.00 0.00 -1.03 0.00 0.00 41.12 40.11 3mly n ASP 100 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3mly n GLY 100 N 1.30 2.69 0.25 6.12 0.00 -1.26 -4.94 105.19 109.35 3mly n GLY 100 Ca 0.21 0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.38 3mly n GLY 100 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3mly h ARG 100 N 1.23 0.00 0.00 1.61 3.08 -1.90 -3.48 114.38 114.92 3mly h ARG 100 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3mly h ARG 100 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.05 3mly h ARG 100 CO 0.00 0.00 0.00 0.41 -1.07 0.00 0.00 179.97 179.31 3mly n GLY 100 N 0.54 2.61 3.73 0.04 0.00 -1.11 -4.65 105.19 106.34 3mly n GLY 100 Ca 0.02 -0.36 -0.41 0.00 0.00 0.00 0.00 46.02 45.27 3mly n GLY 100 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3mly s PHE 100 N 0.00 3.75 -0.26 1.61 5.36 -1.26 -1.04 117.98 126.15 3mly s PHE 100 Ca 0.00 1.74 -0.01 0.00 -0.96 0.00 0.00 56.93 57.70 3mly s PHE 100 Cb 0.00 -3.11 0.03 0.00 -0.34 0.00 0.00 43.02 39.60 3mly s PHE 100 CO 0.00 0.00 -0.06 -0.65 -1.46 0.00 0.00 175.22 173.05 3mly s GLN 100 N 0.06 2.73 -0.45 10.12 -0.21 0.72 -4.99 119.66 127.64 3mly s GLN 100 Ca 0.48 -1.05 -0.26 0.00 0.02 0.00 0.00 55.36 54.55 3mly s GLN 100 Cb -0.24 -3.00 0.03 0.00 1.00 0.00 0.00 33.01 30.79 3mly s GLN 100 CO 0.30 -0.44 0.98 0.00 -2.12 0.00 0.00 175.29 174.01 3mly n GLU 100 N 7.25 1.04 -3.98 0.00 1.02 -0.48 -5.00 120.64 120.50 3mly n GLU 100 Ca 0.08 -0.05 0.04 0.00 -0.02 0.00 0.00 57.16 57.21 3mly n GLU 100 Cb 0.48 -1.35 0.01 0.00 -0.02 0.00 0.00 31.44 30.56 3mly n GLU 100 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 3mly s GLY 100 N -3.07 -0.19 -0.08 0.62 0.00 -1.11 -5.00 107.32 98.49 3mly s GLY 100 Ca 0.03 0.16 -0.02 0.00 0.00 0.00 0.00 44.72 44.88 3mly s GLY 100 CO 0.72 5.75 0.05 -1.36 0.00 0.00 0.00 173.10 178.26 3mly s PHE 100 N -2.03 0.27 -0.15 1.90 0.08 -1.26 -1.61 117.98 115.19 3mly s PHE 100 Ca 0.30 -0.01 -0.03 0.00 0.12 0.00 0.00 56.93 57.30 3mly s PHE 100 Cb 0.00 -0.62 -0.24 0.00 -0.57 0.00 0.00 43.02 41.59 3mly s PHE 100 CO -0.02 -0.31 0.25 -0.40 -0.10 0.00 0.00 175.22 174.64 3mly n ASP 101 N 5.25 1.98 -4.39 1.36 5.75 -0.56 -4.90 116.55 121.04 3mly n ASP 101 Ca -0.05 0.14 -0.33 0.00 -0.01 0.00 0.00 54.79 54.55 3mly n ASP 101 Cb 0.50 -0.68 -0.14 0.00 -1.03 0.00 0.00 41.12 39.76 3mly n ASP 101 CO 0.00 0.00 0.00 -0.76 -0.11 0.00 0.00 177.20 176.33 3mly s LEU 102 N -6.84 2.58 0.04 -2.12 1.02 -1.25 -4.98 118.68 107.12 3mly s LEU 102 Ca -0.24 -0.32 0.05 0.00 0.02 0.00 0.00 54.13 53.64 3mly s LEU 102 Cb 0.07 -1.54 -0.02 0.00 0.02 0.00 0.00 46.19 44.72 3mly s LEU 102 CO 0.74 0.25 -0.14 0.26 0.02 0.00 0.00 176.35 177.48 3mly s TRP 103 N -0.18 1.22 0.99 0.29 0.52 -1.26 -0.68 118.94 119.84 3mly s TRP 103 Ca -0.01 -0.36 -0.16 0.00 0.02 0.00 0.00 56.10 55.59 3mly s TRP 103 Cb -0.13 -0.72 0.19 0.00 -1.15 0.00 0.00 33.47 31.66 3mly s TRP 103 CO 0.03 0.04 1.23 0.20 0.02 0.00 0.00 176.95 178.47 3mly s GLY 104 N -1.20 1.68 0.45 0.98 0.00 -0.35 -4.59 107.32 104.30 3mly s GLY 104 Ca 0.01 -0.97 0.28 0.00 0.00 0.00 0.00 44.72 44.04 3mly s GLY 104 CO 0.01 -0.24 1.78 0.06 0.00 0.00 0.00 173.10 174.71 3mly h GLN 105 N -1.74 0.00 0.00 2.90 3.07 -1.91 -3.45 115.11 113.97 3mly h GLN 105 Ca -0.46 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.28 3mly h GLN 105 Cb 1.27 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.83 3mly h GLN 105 CO 0.45 0.00 0.00 0.41 0.09 0.00 0.00 178.83 179.78 3mly n GLY 106 N 0.62 1.24 3.17 0.06 0.00 -1.26 -5.04 105.19 103.98 3mly n GLY 106 Ca 0.03 -1.57 -0.30 0.00 0.00 0.00 0.00 46.02 44.18 3mly n GLY 106 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 3mly s THR 107 N -1.72 1.77 -0.28 2.61 -1.32 -0.22 -4.89 115.64 111.59 3mly s THR 107 Ca 0.00 -0.86 -0.28 0.00 -1.21 0.00 0.00 61.69 59.34 3mly s THR 107 Cb 0.00 -1.54 0.01 0.00 -1.51 0.00 0.00 72.50 69.45 3mly s THR 107 CO 0.00 0.50 0.99 -0.22 -2.21 0.00 0.00 174.62 173.67 3mly s LEU 108 N 0.37 4.03 -0.29 9.08 2.96 -1.26 -0.81 118.68 132.75 3mly s LEU 108 Ca -0.16 1.08 -0.10 0.00 -0.22 0.00 0.00 54.13 54.74 3mly s LEU 108 Cb -0.17 -3.42 -0.02 0.00 0.50 0.00 0.00 46.19 43.08 3mly s LEU 108 CO 0.07 -0.73 0.15 -0.69 -1.32 0.00 0.00 176.35 173.83 3mly s VAL 109 N 3.30 4.75 -0.31 1.68 1.01 -0.13 -4.26 120.40 126.45 3mly s VAL 109 Ca 0.41 -0.20 -0.11 0.00 0.00 0.00 0.00 61.98 62.09 3mly s VAL 109 Cb -0.14 -3.34 -0.02 0.00 0.00 0.00 0.00 36.38 32.89 3mly s VAL 109 CO 0.11 0.18 0.18 -0.89 0.00 0.00 0.00 175.10 174.68 3mly s THR 110 N 1.66 4.88 -0.43 3.92 2.01 0.23 -1.96 115.64 125.95 3mly s THR 110 Ca 0.06 -0.28 -0.14 0.00 0.31 0.00 0.00 61.69 61.63 3mly s THR 110 Cb -0.16 -3.47 0.04 0.00 0.01 0.00 0.00 72.50 68.92 3mly s THR 110 CO 0.07 0.07 0.32 -0.69 -0.69 0.00 0.00 174.62 173.71 3mly s VAL 111 N 1.66 5.13 -0.23 3.82 1.01 -1.26 -1.03 120.40 129.51 3mly s VAL 111 Ca 0.05 -0.87 -0.19 0.00 0.00 0.00 0.00 61.98 60.97 3mly s VAL 111 Cb -0.17 -3.95 0.06 0.00 0.00 0.00 0.00 36.38 32.32 3mly s VAL 111 CO 0.08 -0.42 0.59 -0.55 0.00 0.00 0.00 175.10 174.80 3mly s SER 112 N 2.04 -0.66 0.00 3.32 0.15 -0.52 -4.43 113.70 113.60 3mly s SER 112 Ca 0.04 1.21 0.03 0.00 0.70 0.00 0.00 55.95 57.94 3mly s SER 112 Cb -0.21 1.19 0.05 0.00 -1.71 0.00 0.00 66.02 65.34 3mly s SER 112 CO 0.08 -0.21 0.78 -1.54 1.20 0.00 0.00 173.24 173.55 3mly n SER 113 N 3.15 1.64 -4.71 5.45 3.41 -1.26 -4.37 113.62 116.92 3mly n SER 113 Ca -0.16 -1.45 -0.42 0.00 -0.26 0.00 0.00 58.87 56.58 3mly n SER 113 Cb 0.56 -0.02 0.00 0.00 -0.26 0.00 0.00 64.21 64.49 3mly n SER 113 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3mly n ALA 114 N 0.04 1.49 -2.81 7.33 0.00 -1.26 -5.00 120.51 120.30 3mly n ALA 114 Ca 0.02 0.33 -0.25 0.00 0.00 0.00 0.00 53.44 53.54 3mly n ALA 114 Cb 0.16 -2.29 -0.05 0.00 0.00 0.00 0.00 19.45 17.27 3mly n ALA 114 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 3mly s SER 115 N -0.35 5.51 0.12 0.00 0.01 -1.26 -5.04 113.70 112.69 3mly s SER 115 Ca 0.57 -0.18 -0.35 0.00 1.31 0.00 0.00 55.95 57.30 3mly s SER 115 Cb -0.53 -1.42 -0.15 0.00 0.21 0.00 0.00 66.02 64.13 3mly s SER 115 CO 0.61 0.03 1.45 0.41 0.41 0.00 0.00 173.24 176.15 3mly n THR 116 N -0.66 0.01 -3.66 1.44 -1.04 -1.26 -4.66 114.28 104.44 3mly n THR 116 Ca -0.08 -0.00 -0.07 0.00 -2.04 0.00 0.00 64.05 61.85 3mly n THR 116 Cb 0.56 -1.17 -0.08 0.00 -1.82 0.00 0.00 70.33 67.82 3mly n THR 116 CO 0.00 0.00 0.00 -0.75 -0.64 0.00 0.00 175.07 173.68 3mly s LYS 117 N 0.68 0.54 0.67 -2.82 2.20 0.12 -4.96 119.74 116.18 3mly s LYS 117 Ca 0.82 1.09 -0.11 0.00 -0.36 0.00 0.00 55.97 57.41 3mly s LYS 117 Cb -0.82 0.22 -0.01 0.00 -1.51 0.00 0.00 37.83 35.71 3mly s LYS 117 CO 0.42 -0.17 1.05 0.20 -0.36 0.00 0.00 175.35 176.49 3mly s GLY 118 N 1.88 1.68 0.48 5.54 0.00 -1.26 -1.21 107.32 114.43 3mly s GLY 118 Ca -0.08 0.05 -0.15 0.00 0.00 0.00 0.00 44.72 44.53 3mly s GLY 118 CO -0.17 0.34 0.93 2.56 0.00 0.00 0.00 173.10 176.77 3mly s PRO 119 N -5.06 3.92 0.01 2.90 0.04 -1.26 -4.60 135.00 130.95 3mly s PRO 119 Ca 0.57 0.84 -0.19 0.00 0.04 0.00 0.00 61.00 62.26 3mly s PRO 119 Cb -0.13 -2.20 -0.06 0.00 0.04 0.00 0.00 34.50 32.15 3mly s PRO 119 CO 0.54 -0.20 0.54 -1.12 0.04 0.00 0.00 177.00 176.80 3mly s SER 120 N -3.05 6.95 -0.13 6.66 0.01 -0.16 -4.87 113.70 119.09 3mly s SER 120 Ca 0.57 1.12 -0.00 0.00 1.31 0.00 0.00 55.95 58.95 3mly s SER 120 Cb -0.10 -2.33 -0.02 0.00 0.21 0.00 0.00 66.02 63.78 3mly s SER 120 CO 0.31 0.19 -0.12 -0.69 0.41 0.00 0.00 173.24 173.34 3mly s VAL 121 N -0.59 3.16 0.02 3.43 1.01 -1.26 -0.30 120.40 125.86 3mly s VAL 121 Ca 0.28 -0.62 0.07 0.00 0.00 0.00 0.00 61.98 61.71 3mly s VAL 121 Cb -0.18 -2.33 -0.02 0.00 0.00 0.00 0.00 36.38 33.85 3mly s VAL 121 CO 0.16 0.52 -0.20 -0.36 0.00 0.00 0.00 175.10 175.22 3mly s PHE 122 N 0.31 1.79 0.32 5.22 0.08 -0.17 -4.97 117.98 120.56 3mly s PHE 122 Ca -0.09 -0.36 -0.27 0.00 0.12 0.00 0.00 56.93 56.33 3mly s PHE 122 Cb -0.16 -1.11 -0.09 0.00 -0.57 0.00 0.00 43.02 41.09 3mly s PHE 122 CO 0.05 0.03 0.99 -1.25 -0.10 0.00 0.00 175.22 174.94 3mly s PRO 123 N -0.85 4.55 -0.60 0.24 0.04 -1.26 -0.13 135.00 136.99 3mly s PRO 123 Ca 0.07 1.46 -0.05 0.00 0.04 0.00 0.00 61.00 62.52 3mly s PRO 123 Cb -0.08 -2.88 0.16 0.00 0.04 0.00 0.00 34.50 31.74 3mly s PRO 123 CO 0.01 0.22 0.43 -0.51 0.04 0.00 0.00 177.00 177.19 3mly s LEU 124 N -1.95 5.47 0.41 -3.56 1.43 0.85 -4.83 118.68 116.50 3mly s LEU 124 Ca 0.49 -2.61 -0.26 0.00 -1.03 0.00 0.00 54.13 50.73 3mly s LEU 124 Cb -0.22 -1.91 -0.08 0.00 0.03 0.00 0.00 46.19 44.00 3mly s LEU 124 CO 0.28 -0.46 1.26 0.00 0.23 0.00 0.00 176.35 177.67 3mly s ALA 125 N 0.30 3.22 0.34 4.21 0.00 -1.26 -1.07 121.76 127.50 3mly s ALA 125 Ca 0.14 1.16 -0.29 0.00 0.00 0.00 0.00 51.96 52.98 3mly s ALA 125 Cb -0.20 -3.46 -0.11 0.00 0.00 0.00 0.00 23.12 19.35 3mly s ALA 125 CO -0.04 -0.75 1.45 -1.25 0.00 0.00 0.00 175.76 175.17 3mly s PRO 126 N -2.26 4.19 0.17 0.00 0.04 -1.25 -4.85 135.00 131.04 3mly s PRO 126 Ca 0.57 2.45 -0.32 0.00 0.04 0.00 0.00 61.00 63.74 3mly s PRO 126 Cb -0.36 -3.02 -0.12 0.00 0.04 0.00 0.00 34.50 31.04 3mly s PRO 126 CO 0.46 -0.44 1.71 -1.13 0.04 0.00 0.00 177.00 177.64 3mly n SER 127 N 0.95 3.76 -2.94 6.66 3.41 -1.26 -4.50 113.62 119.70 3mly n SER 127 Ca 0.02 1.05 -0.32 0.00 -0.26 0.00 0.00 58.87 59.36 3mly n SER 127 Cb 0.40 -1.53 -0.02 0.00 -0.26 0.00 0.00 64.21 62.80 3mly n SER 127 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 3mly n SER 128 N 4.16 -0.81 -1.86 4.04 3.41 -1.26 -4.66 113.62 116.65 3mly n SER 128 Ca 0.17 0.75 -0.01 0.00 -0.26 0.00 0.00 58.87 59.52 3mly n SER 128 Cb 0.33 -0.63 -0.01 0.00 -0.26 0.00 0.00 64.21 63.64 3mly n SER 128 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 3mly n LYS 129 N 0.68 0.53 -1.72 4.33 5.02 -1.26 -4.78 118.16 120.95 3mly n LYS 129 Ca 0.12 -0.08 -0.18 0.00 -2.02 0.00 0.00 58.31 56.16 3mly n LYS 129 Cb 0.16 -1.35 -0.08 0.00 -0.02 0.00 0.00 35.03 33.74 3mly n LYS 129 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 3mly s SER 130 N 2.09 4.07 -1.06 4.39 1.04 -1.26 -3.67 113.70 119.29 3mly s SER 130 Ca 0.05 -0.62 -0.17 0.00 0.48 0.00 0.00 55.95 55.69 3mly s SER 130 Cb 0.02 -2.57 -0.00 0.00 0.10 0.00 0.00 66.02 63.57 3mly s SER 130 CO 0.00 -3.91 0.75 1.07 0.98 0.00 0.00 173.24 172.14 3mly n THR 131 N 8.61 -5.72 -4.21 2.02 5.66 -1.26 -5.01 114.28 114.36 3mly n THR 131 Ca 0.44 -0.74 -0.14 0.00 -3.05 0.00 0.00 64.05 60.55 3mly n THR 131 Cb 0.45 -4.26 -0.10 0.00 -1.55 0.00 0.00 70.33 64.87 3mly n THR 131 CO 0.00 0.00 0.00 -0.94 -3.05 0.00 0.00 175.07 171.08 3mly s SER 132 N -3.36 1.60 -0.23 1.09 1.04 -1.24 -5.07 113.70 107.53 3mly s SER 132 Ca 0.37 -0.93 0.04 0.00 0.48 0.00 0.00 55.95 55.91 3mly s SER 132 Cb -0.14 0.01 0.14 0.00 0.10 0.00 0.00 66.02 66.13 3mly s SER 132 CO 0.86 -0.31 1.00 0.61 0.98 0.00 0.00 173.24 176.38 3mly n GLY 133 N 0.13 -0.07 0.00 7.32 0.00 -1.26 -4.98 105.19 106.33 3mly n GLY 133 Ca -0.13 -0.05 0.00 0.00 0.00 0.00 0.00 46.02 45.84 3mly n GLY 133 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3mly n GLY 134 N -0.54 1.83 3.65 -0.02 0.00 -1.26 -4.71 105.19 104.13 3mly n GLY 134 Ca -0.14 -0.07 -0.35 0.00 0.00 0.00 0.00 46.02 45.46 3mly n GLY 134 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3mly s THR 135 N 2.30 4.57 0.10 2.61 2.01 -1.26 0.80 115.64 126.76 3mly s THR 135 Ca 0.00 -0.13 0.08 0.00 0.31 0.00 0.00 61.69 61.95 3mly s THR 135 Cb 0.00 -3.01 -0.03 0.00 0.01 0.00 0.00 72.50 69.47 3mly s THR 135 CO 0.00 0.52 -0.20 0.00 -0.69 0.00 0.00 174.62 174.25 3mly s ALA 136 N -0.10 1.77 -0.06 7.40 0.00 0.83 -4.84 121.76 126.76 3mly s ALA 136 Ca 0.06 -1.25 0.04 0.00 0.00 0.00 0.00 51.96 50.81 3mly s ALA 136 Cb -0.12 -0.23 -0.02 0.00 0.00 0.00 0.00 23.12 22.75 3mly s ALA 136 CO 0.02 0.34 -0.17 0.00 0.00 0.00 0.00 175.76 175.94 3mly s ALA 137 N -1.24 2.50 0.12 0.00 0.00 -1.26 -0.83 121.76 121.05 3mly s ALA 137 Ca 0.06 -0.99 -0.06 0.00 0.00 0.00 0.00 51.96 50.98 3mly s ALA 137 Cb -0.10 -0.91 -0.02 0.00 0.00 0.00 0.00 23.12 22.10 3mly s ALA 137 CO 0.04 0.47 0.16 -0.48 0.00 0.00 0.00 175.76 175.95 3mly s LEU 138 N -0.40 1.50 0.00 0.00 0.05 -0.73 -3.96 118.68 115.14 3mly s LEU 138 Ca 0.04 -0.92 0.00 0.00 0.05 0.00 0.00 54.13 53.31 3mly s LEU 138 Cb -0.12 0.79 0.00 0.00 -2.05 0.00 0.00 46.19 44.81 3mly s LEU 138 CO 0.02 -0.77 0.00 0.61 -0.55 0.00 0.00 176.35 175.66 3mly n GLY 139 N -0.10 1.38 2.97 -3.48 0.00 -0.23 0.27 105.19 106.00 3mly n GLY 139 Ca -0.10 -0.80 -0.19 0.00 0.00 0.00 0.00 46.02 44.93 3mly n GLY 139 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3mly s LEU 141 N 0.24 4.05 -0.44 0.00 2.96 0.81 -1.43 118.68 124.88 3mly s LEU 141 Ca -0.03 0.04 -0.09 0.00 -0.22 0.00 0.00 54.13 53.82 3mly s LEU 141 Cb -0.08 -2.13 0.09 0.00 0.50 0.00 0.00 46.19 44.57 3mly s LEU 141 CO 0.00 -0.03 0.29 -0.69 -1.32 0.00 0.00 176.35 174.60 3mly s VAL 142 N 1.59 4.27 -0.09 1.68 1.01 0.12 -1.00 120.40 127.99 3mly s VAL 142 Ca 0.08 -1.49 0.01 0.00 0.00 0.00 0.00 61.98 60.58 3mly s VAL 142 Cb -0.15 -3.67 -0.02 0.00 0.00 0.00 0.00 36.38 32.54 3mly s VAL 142 CO 0.09 -0.59 -0.12 -0.75 0.00 0.00 0.00 175.10 173.74 3mly s LYS 143 N 1.42 2.93 -0.95 2.72 2.20 0.59 -0.94 119.74 127.71 3mly s LYS 143 Ca 0.04 -0.66 -0.05 0.00 -0.36 0.00 0.00 55.97 54.94 3mly s LYS 143 Cb -0.24 -2.53 -0.05 0.00 -1.51 0.00 0.00 37.83 33.50 3mly s LYS 143 CO 0.01 0.46 0.84 -0.25 -0.36 0.00 0.00 175.35 176.05 3mly n ASP 144 N 2.81 -6.72 -4.50 1.43 8.00 -0.18 -0.99 116.55 116.40 3mly n ASP 144 Ca -0.18 -0.56 -0.25 0.00 0.71 0.00 0.00 54.79 54.52 3mly n ASP 144 Cb 0.52 -5.07 -0.10 0.00 -0.02 0.00 0.00 41.12 36.45 3mly n ASP 144 CO 0.00 0.00 0.00 -0.72 -0.39 0.00 0.00 177.20 176.09 3mly s TYR 145 N -3.30 2.32 -0.24 1.24 -0.85 -0.14 -4.42 117.35 111.97 3mly s TYR 145 Ca 0.35 -0.41 -0.26 0.00 -0.52 0.00 0.00 57.07 56.24 3mly s TYR 145 Cb -0.05 -1.15 0.07 0.00 0.38 0.00 0.00 41.96 41.22 3mly s TYR 145 CO 0.72 0.65 0.72 0.12 -1.52 0.00 0.00 175.55 176.24 3mly s PHE 146 N -2.56 -0.76 0.85 -3.49 2.19 -0.35 -0.66 117.98 113.19 3mly s PHE 146 Ca 0.31 1.79 -0.08 0.00 0.33 0.00 0.00 56.93 59.28 3mly s PHE 146 Cb -0.02 0.29 0.17 0.00 -1.31 0.00 0.00 43.02 42.15 3mly s PHE 146 CO 0.15 -0.41 1.16 -1.25 1.83 0.00 0.00 175.22 176.70 3mly s PRO 147 N 0.13 1.13 0.72 10.12 0.04 -1.26 -0.70 135.00 145.18 3mly s PRO 147 Ca -0.02 -0.78 -0.15 0.00 0.04 0.00 0.00 61.00 60.10 3mly s PRO 147 Cb -0.04 -2.09 0.04 0.00 0.04 0.00 0.00 34.50 32.45 3mly s PRO 147 CO 0.02 -1.95 1.18 -1.21 0.04 0.00 0.00 177.00 175.08 3mly s GLU 148 N -5.53 2.25 0.43 4.56 0.41 -1.26 -4.75 118.70 114.81 3mly s GLU 148 Ca 0.70 1.64 0.07 0.00 -0.41 0.00 0.00 54.97 56.98 3mly s GLU 148 Cb -0.04 -1.86 -0.02 0.00 -1.78 0.00 0.00 34.13 30.43 3mly s GLU 148 CO 0.49 -1.73 0.33 -1.25 -0.49 0.00 0.00 175.26 172.61 3mly s PRO 149 N -4.02 2.42 0.20 0.39 0.04 -1.26 -4.99 135.00 127.77 3mly s PRO 149 Ca 0.72 -1.68 0.11 0.00 0.04 0.00 0.00 61.00 60.19 3mly s PRO 149 Cb -0.26 -2.24 -0.04 0.00 0.04 0.00 0.00 34.50 31.99 3mly s PRO 149 CO 0.45 -0.23 -0.21 0.14 0.04 0.00 0.00 177.00 177.19 3mly s VAL 150 N -2.54 2.50 -0.05 -0.36 -7.23 -1.26 -4.44 120.40 107.02 3mly s VAL 150 Ca 0.45 -2.03 0.03 0.00 -1.81 0.00 0.00 61.98 58.62 3mly s VAL 150 Cb -0.01 -2.22 -0.03 0.00 0.56 0.00 0.00 36.38 34.68 3mly s VAL 150 CO 0.26 -0.16 -0.13 -0.89 -0.31 0.00 0.00 175.10 173.88 3mly s THR 151 N -1.80 3.21 -0.07 5.32 2.01 -0.08 -4.99 115.64 119.24 3mly s THR 151 Ca 0.23 -0.69 0.02 0.00 0.31 0.00 0.00 61.69 61.55 3mly s THR 151 Cb -0.08 -2.28 0.02 0.00 0.01 0.00 0.00 72.50 70.17 3mly s THR 151 CO 0.11 0.57 -0.10 -0.69 -0.69 0.00 0.00 174.62 173.83 3mly s VAL 152 N -0.77 1.02 0.39 3.82 1.01 -1.26 -0.87 120.40 123.74 3mly s VAL 152 Ca 0.12 -0.39 0.05 0.00 0.00 0.00 0.00 61.98 61.76 3mly s VAL 152 Cb -0.11 -0.97 -0.06 0.00 0.00 0.00 0.00 36.38 35.24 3mly s VAL 152 CO 0.01 0.34 0.03 -0.94 0.00 0.00 0.00 175.10 174.54 3mly s SER 153 N 0.91 3.29 -0.03 3.32 1.04 -0.25 -4.97 113.70 117.01 3mly s SER 153 Ca -0.10 -1.42 0.05 0.00 0.48 0.00 0.00 55.95 54.95 3mly s SER 153 Cb -0.15 -0.12 -0.01 0.00 0.10 0.00 0.00 66.02 65.84 3mly s SER 153 CO 0.01 -0.58 -0.17 0.26 0.98 0.00 0.00 173.24 173.74 3mly s TRP 154 N -2.97 1.64 -1.40 5.02 0.52 -1.26 0.17 118.94 120.66 3mly s TRP 154 Ca 0.32 -0.42 -0.05 0.00 0.02 0.00 0.00 56.10 55.96 3mly s TRP 154 Cb 0.08 -1.09 0.03 0.00 -1.15 0.00 0.00 33.47 31.34 3mly s TRP 154 CO 0.15 -0.12 0.78 0.09 0.02 0.00 0.00 176.95 177.87 3mly n ASN 155 N 3.00 -2.37 -1.80 2.95 3.02 0.39 -1.20 115.26 119.25 3mly n ASN 155 Ca -0.17 -0.82 -0.20 0.00 -0.03 0.00 0.00 54.58 53.36 3mly n ASN 155 Cb 0.53 -3.91 -0.06 0.00 -0.61 0.00 0.00 39.78 35.73 3mly n ASN 155 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 3mly n SER 156 N -2.97 -5.26 0.00 6.41 7.64 -1.26 -1.62 113.62 116.55 3mly n SER 156 Ca -0.18 0.36 0.00 0.00 1.01 0.00 0.00 58.87 60.06 3mly n SER 156 Cb 0.63 -4.60 0.00 0.00 -1.01 0.00 0.00 64.21 59.23 3mly n SER 156 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3mly n GLY 157 N -0.53 0.19 0.19 0.23 0.00 -0.34 -4.95 105.19 99.98 3mly n GLY 157 Ca -0.21 0.00 0.05 0.00 0.00 0.00 0.00 46.02 45.86 3mly n GLY 157 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3mly h ALA 158 N 0.00 1.09 -3.00 4.61 0.00 -1.23 -3.42 119.26 117.32 3mly h ALA 158 Ca 0.00 -0.34 -0.68 0.00 0.00 0.00 0.00 54.91 53.89 3mly h ALA 158 Cb 0.00 -0.06 -0.26 0.00 0.00 0.00 0.00 17.79 17.47 3mly h ALA 158 CO 0.00 0.47 -0.61 -1.17 0.00 0.00 0.00 179.25 177.94 3mly s LEU 159 N -7.36 3.93 0.00 0.00 2.96 -1.05 -4.89 118.68 112.28 3mly s LEU 159 Ca -0.01 -0.71 0.00 0.00 -0.22 0.00 0.00 54.13 53.19 3mly s LEU 159 Cb 0.12 -1.90 0.00 0.00 0.50 0.00 0.00 46.19 44.91 3mly s LEU 159 CO 0.69 -0.20 0.00 0.35 -1.32 0.00 0.00 176.35 175.87 3mly n THR 160 N 4.88 0.00 -2.13 3.68 -2.24 -1.26 -4.19 114.28 113.03 3mly n THR 160 Ca -0.14 0.00 -0.42 0.00 -2.27 0.00 0.00 64.05 61.22 3mly n THR 160 Cb 0.48 -0.54 -0.03 0.00 -2.10 0.00 0.00 70.33 68.14 3mly n THR 160 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 3mly s SER 161 N -3.00 6.79 0.00 3.42 1.04 -1.26 -2.53 113.70 118.16 3mly s SER 161 Ca 0.00 2.44 0.00 0.00 0.48 0.00 0.00 55.95 58.87 3mly s SER 161 Cb 0.00 -2.60 0.00 0.00 0.10 0.00 0.00 66.02 63.52 3mly s SER 161 CO 0.00 -0.64 0.00 0.61 0.98 0.00 0.00 173.24 174.19 3mly n GLY 162 N 2.98 0.63 3.72 7.32 0.00 -1.26 -4.81 105.19 113.76 3mly n GLY 162 Ca 0.09 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.73 3mly n GLY 162 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3mly s VAL 163 N -2.44 5.18 -0.21 1.61 1.01 -1.05 -0.57 120.40 123.93 3mly s VAL 163 Ca 0.00 0.95 -0.01 0.00 0.00 0.00 0.00 61.98 62.92 3mly s VAL 163 Cb 0.00 -3.82 0.06 0.00 0.00 0.00 0.00 36.38 32.62 3mly s VAL 163 CO 0.00 0.31 0.00 -2.28 0.00 0.00 0.00 175.10 173.13 3mly s HIS 164 N 0.73 1.60 -0.28 5.22 2.46 0.05 -5.00 115.29 120.07 3mly s HIS 164 Ca 0.26 -1.24 -0.12 0.00 0.47 0.00 0.00 55.06 54.42 3mly s HIS 164 Cb -0.15 -1.27 -0.04 0.00 -0.13 0.00 0.00 32.58 30.99 3mly s HIS 164 CO 0.10 -0.68 0.24 0.99 -2.47 0.00 0.00 174.74 172.92 3mly s THR 165 N 1.66 5.27 0.21 0.89 2.01 -1.26 -1.14 115.64 123.28 3mly s THR 165 Ca -0.03 0.27 -0.17 0.00 0.31 0.00 0.00 61.69 62.07 3mly s THR 165 Cb -0.18 -3.59 -0.08 0.00 0.01 0.00 0.00 72.50 68.67 3mly s THR 165 CO -0.08 0.21 0.66 -0.36 -0.69 0.00 0.00 174.62 174.36 3mly s PHE 166 N 1.85 3.58 0.55 4.92 0.40 -0.26 -5.00 117.98 124.02 3mly s PHE 166 Ca 0.09 1.22 -0.20 0.00 -0.60 0.00 0.00 56.93 57.44 3mly s PHE 166 Cb -0.16 -2.50 -0.06 0.00 0.51 0.00 0.00 43.02 40.81 3mly s PHE 166 CO 0.11 0.33 1.07 -2.30 0.70 0.00 0.00 175.22 175.13 3mly n PRO 167 N 0.54 1.18 -2.07 0.24 -0.02 -1.26 -4.34 135.00 129.28 3mly n PRO 167 Ca -0.02 0.44 -0.33 0.00 -2.02 0.00 0.00 63.50 61.57 3mly n PRO 167 Cb 0.52 -2.24 0.01 0.00 -0.02 0.00 0.00 33.50 31.77 3mly n PRO 167 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3mly s ALA 168 N -1.41 2.67 0.14 3.55 0.00 -1.26 -4.79 121.76 120.65 3mly s ALA 168 Ca 0.72 0.56 -0.04 0.00 0.00 0.00 0.00 51.96 53.20 3mly s ALA 168 Cb -0.44 -3.29 -0.05 0.00 0.00 0.00 0.00 23.12 19.34 3mly s ALA 168 CO 0.49 -0.88 0.36 0.54 0.00 0.00 0.00 175.76 176.27 3mly s VAL 169 N -2.22 5.20 -0.20 0.00 0.11 0.41 -4.94 120.40 118.76 3mly s VAL 169 Ca 0.67 -0.05 -0.05 0.00 -2.93 0.00 0.00 61.98 59.62 3mly s VAL 169 Cb -0.19 -3.63 -0.02 0.00 -1.53 0.00 0.00 36.38 31.00 3mly s VAL 169 CO 0.34 0.03 -0.01 -0.22 -3.33 0.00 0.00 175.10 171.92 3mly s LEU 170 N -2.70 3.20 0.50 2.54 2.96 -1.26 -1.61 118.68 122.30 3mly s LEU 170 Ca 0.40 -0.23 -0.04 0.00 -0.22 0.00 0.00 54.13 54.03 3mly s LEU 170 Cb -0.12 -1.81 -0.02 0.00 0.50 0.00 0.00 46.19 44.74 3mly s LEU 170 CO 0.25 0.05 0.78 -1.10 -1.32 0.00 0.00 176.35 175.02 3mly s GLN 171 N 1.10 3.31 0.47 1.98 -1.52 -0.57 -4.96 119.66 119.47 3mly s GLN 171 Ca 0.02 0.02 0.32 0.00 -1.95 0.00 0.00 55.36 53.77 3mly s GLN 171 Cb -0.14 -2.39 1.55 0.00 -0.22 0.00 0.00 33.01 31.80 3mly s GLN 171 CO 0.01 -0.32 1.97 0.66 -0.25 0.00 0.00 175.29 177.36 3mly h SER 172 N 0.18 0.00 0.38 5.90 4.64 -2.00 0.71 113.55 123.36 3mly h SER 172 Ca -0.47 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.85 3mly h SER 172 Cb 1.23 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.32 3mly h SER 172 CO 0.61 0.00 0.00 0.77 -0.87 0.00 0.00 176.83 177.34 3mly h SER 173 N 0.00 0.00 0.00 4.97 4.64 -2.02 -3.45 113.55 117.69 3mly h SER 173 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3mly h SER 173 Cb 0.22 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.31 3mly h SER 173 CO 0.00 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.57 3mly n GLY 174 N -0.67 0.75 3.76 -0.77 0.00 0.24 -4.81 105.19 103.70 3mly n GLY 174 Ca -0.01 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.69 3mly n GLY 174 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3mly s LEU 175 N 0.00 3.79 0.25 0.99 1.43 -1.25 -4.82 118.68 119.07 3mly s LEU 175 Ca 0.00 0.04 -0.03 0.00 -1.03 0.00 0.00 54.13 53.12 3mly s LEU 175 Cb 0.00 -2.34 -0.05 0.00 0.03 0.00 0.00 46.19 43.83 3mly s LEU 175 CO 0.00 0.22 0.48 -0.31 0.23 0.00 0.00 176.35 176.97 3mly s TYR 176 N -1.28 3.48 0.01 0.29 1.51 0.16 -1.50 117.35 120.02 3mly s TYR 176 Ca 0.26 0.49 0.01 0.00 -1.01 0.00 0.00 57.07 56.81 3mly s TYR 176 Cb -0.12 -1.98 -0.01 0.00 -0.11 0.00 0.00 41.96 39.74 3mly s TYR 176 CO 0.17 0.26 -0.03 -1.12 -1.11 0.00 0.00 175.55 173.73 3mly s SER 177 N -3.23 0.27 0.20 2.29 0.01 -0.63 -0.96 113.70 111.64 3mly s SER 177 Ca 0.41 -0.22 -0.01 0.00 1.31 0.00 0.00 55.95 57.44 3mly s SER 177 Cb -0.11 0.02 -0.04 0.00 0.21 0.00 0.00 66.02 66.10 3mly s SER 177 CO 0.30 -0.10 0.12 -1.48 0.41 0.00 0.00 173.24 172.49 3mly s LEU 178 N -0.61 1.25 0.05 2.44 0.05 -0.11 -0.44 118.68 121.30 3mly s LEU 178 Ca -0.05 -1.37 0.05 0.00 0.05 0.00 0.00 54.13 52.81 3mly s LEU 178 Cb -0.04 0.35 -0.02 0.00 -2.05 0.00 0.00 46.19 44.42 3mly s LEU 178 CO -0.00 -0.82 -0.14 -0.44 -0.55 0.00 0.00 176.35 174.40 3mly s SER 179 N -3.16 1.68 -0.11 1.48 0.01 -1.26 0.15 113.70 112.49 3mly s SER 179 Ca 0.37 -0.49 0.03 0.00 1.31 0.00 0.00 55.95 57.18 3mly s SER 179 Cb 0.07 -0.10 0.00 0.00 0.21 0.00 0.00 66.02 66.21 3mly s SER 179 CO 0.11 0.02 -0.23 -0.55 0.41 0.00 0.00 173.24 173.00 3mly s SER 180 N -1.25 3.16 -0.05 2.44 0.15 -0.51 -1.10 113.70 116.53 3mly s SER 180 Ca 0.01 -0.56 0.04 0.00 0.70 0.00 0.00 55.95 56.14 3mly s SER 180 Cb -0.08 -1.43 -0.00 0.00 -1.71 0.00 0.00 66.02 62.79 3mly s SER 180 CO 0.01 0.14 -0.18 -0.69 1.20 0.00 0.00 173.24 173.72 3mly s VAL 181 N 0.49 1.48 -0.14 4.45 1.01 -0.29 -0.95 120.40 126.44 3mly s VAL 181 Ca -0.15 -0.73 -0.04 0.00 0.00 0.00 0.00 61.98 61.06 3mly s VAL 181 Cb -0.17 -1.28 -0.03 0.00 0.00 0.00 0.00 36.38 34.90 3mly s VAL 181 CO 0.05 0.43 -0.01 -0.69 0.00 0.00 0.00 175.10 174.88 3mly s VAL 182 N 0.10 4.16 -0.25 2.92 1.01 0.14 -0.77 120.40 127.71 3mly s VAL 182 Ca -0.06 -0.27 -0.10 0.00 0.00 0.00 0.00 61.98 61.55 3mly s VAL 182 Cb -0.12 -2.82 -0.05 0.00 0.00 0.00 0.00 36.38 33.40 3mly s VAL 182 CO 0.03 0.51 0.15 -0.89 0.00 0.00 0.00 175.10 174.90 3mly s THR 183 N 0.09 5.10 0.08 3.92 2.01 0.27 -1.77 115.64 125.33 3mly s THR 183 Ca 0.01 0.09 0.03 0.00 0.31 0.00 0.00 61.69 62.13 3mly s THR 183 Cb -0.13 -3.39 -0.03 0.00 0.01 0.00 0.00 72.50 68.95 3mly s THR 183 CO 0.02 0.32 -0.08 0.68 -0.69 0.00 0.00 174.62 174.86 3mly s VAL 184 N 1.38 0.75 0.24 3.82 -7.23 -0.01 -4.62 120.40 114.73 3mly s VAL 184 Ca 0.07 -1.56 -0.30 0.00 -1.81 0.00 0.00 61.98 58.37 3mly s VAL 184 Cb -0.15 -1.23 -0.10 0.00 0.56 0.00 0.00 36.38 35.46 3mly s VAL 184 CO 0.07 -0.60 1.48 -2.16 -0.31 0.00 0.00 175.10 173.58 3mly s PRO 185 N -2.74 4.24 0.41 4.82 0.04 -1.26 -0.12 135.00 140.39 3mly s PRO 185 Ca 0.03 2.34 0.14 0.00 0.04 0.00 0.00 61.00 63.55 3mly s PRO 185 Cb -0.03 -3.11 1.00 0.00 0.04 0.00 0.00 34.50 32.41 3mly s PRO 185 CO -0.01 -0.48 1.90 0.77 0.04 0.00 0.00 177.00 179.22 3mly h SER 186 N 5.35 0.45 -0.19 6.66 0.02 0.11 -1.74 113.55 124.20 3mly h SER 186 Ca -0.45 0.03 0.02 0.00 -0.84 0.00 0.00 61.79 60.54 3mly h SER 186 Cb 1.22 -0.06 -0.01 0.00 0.14 0.00 0.00 62.40 63.68 3mly h SER 186 CO 0.80 0.23 0.13 0.77 -1.14 0.00 0.00 176.83 177.62 3mly h SER 187 N 0.48 0.16 0.02 3.07 4.64 -1.88 -2.66 113.55 117.38 3mly h SER 187 Ca 0.40 -0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.69 3mly h SER 187 Cb 0.86 -0.04 -0.01 0.00 -0.31 0.00 0.00 62.40 62.90 3mly h SER 187 CO -0.15 0.11 -0.08 0.77 -0.87 0.00 0.00 176.83 176.62 3mly h SER 188 N 0.18 0.14 -0.48 4.97 4.64 -1.70 -2.75 113.55 118.55 3mly h SER 188 Ca 0.08 -0.02 0.14 0.00 -0.47 0.00 0.00 61.79 61.52 3mly h SER 188 Cb 0.09 -0.04 -0.02 0.00 -0.31 0.00 0.00 62.40 62.13 3mly h SER 188 CO -0.01 0.24 0.66 -0.07 -0.87 0.00 0.00 176.83 176.78 3mly h LEU 189 N 0.15 0.00 0.00 5.97 -0.00 -1.64 0.98 115.31 120.77 3mly h LEU 189 Ca 0.03 0.00 -0.31 0.00 -0.00 0.00 0.00 57.88 57.60 3mly h LEU 189 Cb 0.24 0.00 -0.06 0.00 -0.00 0.00 0.00 40.66 40.84 3mly h LEU 189 CO 0.01 0.00 -2.25 0.61 -0.00 0.00 0.00 178.44 176.81 3mly n GLY 190 N -1.51 -1.01 0.97 0.83 0.00 -1.04 -4.54 105.19 98.90 3mly n GLY 190 Ca 0.10 -0.33 0.12 0.00 0.00 0.00 0.00 46.02 45.90 3mly n GLY 190 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 3mly n THR 191 N -2.72 0.06 -3.65 2.61 5.66 0.21 -4.98 114.28 111.47 3mly n THR 191 Ca -0.27 -0.53 -0.10 0.00 -3.05 0.00 0.00 64.05 60.09 3mly n THR 191 Cb 1.07 1.43 -0.04 0.00 -1.55 0.00 0.00 70.33 71.24 3mly n THR 191 CO 0.00 0.00 0.00 -1.58 -3.05 0.00 0.00 175.07 170.44 3mly s GLN 192 N -1.91 1.23 0.31 1.09 0.74 -0.46 -5.07 119.66 115.59 3mly s GLN 192 Ca 0.29 -0.75 0.09 0.00 0.05 0.00 0.00 55.36 55.04 3mly s GLN 192 Cb 0.20 0.51 -0.05 0.00 1.10 0.00 0.00 33.01 34.77 3mly s GLN 192 CO 0.30 -0.51 0.02 0.95 -0.55 0.00 0.00 175.29 175.50 3mly s THR 193 N -3.83 2.96 -0.12 -0.34 -4.23 -1.26 -4.66 115.64 104.16 3mly s THR 193 Ca 0.06 -1.93 -0.02 0.00 -1.18 0.00 0.00 61.69 58.62 3mly s THR 193 Cb 0.00 -2.81 0.04 0.00 1.34 0.00 0.00 72.50 71.07 3mly s THR 193 CO -0.08 -0.27 0.01 -0.31 -0.54 0.00 0.00 174.62 173.43 3mly s TYR 194 N -2.44 0.88 -0.10 3.99 1.51 -1.26 -4.96 117.35 114.98 3mly s TYR 194 Ca 0.34 -0.48 0.02 0.00 -1.01 0.00 0.00 57.07 55.94 3mly s TYR 194 Cb -0.03 -0.93 0.01 0.00 -0.11 0.00 0.00 41.96 40.91 3mly s TYR 194 CO 0.20 -0.45 -0.14 0.42 -1.11 0.00 0.00 175.55 174.47 3mly s ILE 195 N 1.91 1.34 0.01 2.71 1.01 -1.26 -0.61 121.20 126.31 3mly s ILE 195 Ca 0.03 -0.56 -0.18 0.00 0.00 0.00 0.00 60.65 59.94 3mly s ILE 195 Cb -0.14 -1.24 -0.06 0.00 0.01 0.00 0.00 42.46 41.03 3mly s ILE 195 CO -0.07 0.41 0.52 0.00 0.00 0.00 0.00 174.94 175.80 3mly s ASN 197 N -0.63 5.30 -0.19 0.00 -0.87 0.13 -1.40 114.94 117.27 3mly s ASN 197 Ca 0.28 -1.19 -0.06 0.00 -1.57 0.00 0.00 52.86 50.31 3mly s ASN 197 Cb -0.18 -1.86 -0.03 0.00 -0.02 0.00 0.00 41.25 39.16 3mly s ASN 197 CO 0.16 -0.34 0.04 -0.69 -2.57 0.00 0.00 177.10 173.70 3mly s VAL 198 N 1.38 4.45 -0.15 1.60 1.01 0.54 -1.09 120.40 128.14 3mly s VAL 198 Ca -0.01 -0.15 0.00 0.00 0.00 0.00 0.00 61.98 61.82 3mly s VAL 198 Cb -0.20 -3.01 0.03 0.00 0.00 0.00 0.00 36.38 33.20 3mly s VAL 198 CO 0.02 0.44 -0.12 0.21 0.00 0.00 0.00 175.10 175.65 3mly s ASN 199 N 0.67 2.73 -0.78 3.32 3.84 -0.05 -0.62 114.94 124.05 3mly s ASN 199 Ca 0.02 -0.53 -0.04 0.00 0.21 0.00 0.00 52.86 52.51 3mly s ASN 199 Cb -0.14 -1.13 0.20 0.00 -0.55 0.00 0.00 41.25 39.63 3mly s ASN 199 CO 0.02 -0.08 0.65 -2.28 -2.79 0.00 0.00 177.10 172.62 3mly s HIS 200 N 1.51 3.68 0.30 0.43 5.65 0.16 -0.91 115.29 126.10 3mly s HIS 200 Ca 0.04 -2.73 0.01 0.00 0.25 0.00 0.00 55.06 52.63 3mly s HIS 200 Cb -0.13 -3.34 0.56 0.00 -1.18 0.00 0.00 32.58 28.48 3mly s HIS 200 CO -0.10 -0.83 1.87 0.87 -0.65 0.00 0.00 174.74 175.91 3mly h LYS 201 N 6.73 0.97 -0.11 2.88 1.57 -1.81 -1.08 116.57 125.73 3mly h LYS 201 Ca 0.08 -0.06 0.03 0.00 -1.87 0.00 0.00 60.65 58.83 3mly h LYS 201 Cb 0.91 -0.22 -0.00 0.00 0.08 0.00 0.00 32.23 33.00 3mly h LYS 201 CO 0.78 0.64 0.10 -1.35 -0.57 0.00 0.00 179.45 179.06 3mly h PRO 202 N 1.00 0.00 -0.21 3.15 0.11 -1.91 -1.68 132.00 132.46 3mly h PRO 202 Ca 0.44 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.55 3mly h PRO 202 Cb 0.37 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.48 3mly h PRO 202 CO -0.20 0.00 0.00 -1.13 -0.21 0.00 0.00 178.00 176.46 3mly n SER 203 N -4.08 2.54 -3.96 -2.05 3.41 -0.62 -4.98 113.62 103.88 3mly n SER 203 Ca -0.00 -1.78 -0.32 0.00 -0.26 0.00 0.00 58.87 56.51 3mly n SER 203 Cb 0.21 -0.14 0.01 0.00 -0.26 0.00 0.00 64.21 64.03 3mly n SER 203 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 3mly n ASN 204 N 0.60 -4.32 -4.66 4.04 5.03 -0.51 -4.92 115.26 110.52 3mly n ASN 204 Ca 0.10 -0.81 -0.37 0.00 0.87 0.00 0.00 54.58 54.36 3mly n ASN 204 Cb 0.37 -3.47 -0.09 0.00 -1.02 0.00 0.00 39.78 35.57 3mly n ASN 204 CO 0.00 0.00 0.00 -0.89 -1.83 0.00 0.00 177.26 174.54 3mly s THR 205 N -3.26 5.31 -0.08 3.41 2.01 -0.95 -4.97 115.64 117.12 3mly s THR 205 Ca 0.67 0.32 0.04 0.00 0.31 0.00 0.00 61.69 63.03 3mly s THR 205 Cb -0.35 -3.56 0.00 0.00 0.01 0.00 0.00 72.50 68.60 3mly s THR 205 CO 0.83 0.31 -0.20 -0.54 -0.69 0.00 0.00 174.62 174.33 3mly s LYS 206 N 1.18 2.48 -0.02 4.92 1.02 -1.26 0.36 119.74 128.41 3mly s LYS 206 Ca 0.11 -0.70 0.00 0.00 0.02 0.00 0.00 55.97 55.40 3mly s LYS 206 Cb -0.14 -1.94 0.02 0.00 -0.52 0.00 0.00 37.83 35.26 3mly s LYS 206 CO 0.06 0.14 0.00 0.08 -0.92 0.00 0.00 175.35 174.71 3mly s VAL 207 N 0.40 0.14 -0.08 3.17 1.01 0.21 -5.00 120.40 120.25 3mly s VAL 207 Ca -0.16 0.08 -0.01 0.00 0.00 0.00 0.00 61.98 61.90 3mly s VAL 207 Cb -0.17 -0.22 -0.03 0.00 0.00 0.00 0.00 36.38 35.96 3mly s VAL 207 CO 0.06 0.12 -0.04 -1.81 0.00 0.00 0.00 175.10 173.43 3mly s ASP 208 N 0.89 4.85 -0.07 3.32 1.01 -1.26 -0.34 116.67 125.06 3mly s ASP 208 Ca -0.09 0.02 -0.02 0.00 0.71 0.00 0.00 52.55 53.17 3mly s ASP 208 Cb -0.12 -1.34 0.03 0.00 1.01 0.00 0.00 42.92 42.50 3mly s ASP 208 CO -0.02 0.35 0.03 -0.75 0.21 0.00 0.00 175.17 174.99 3mly s LYS 209 N -0.70 0.32 0.12 8.23 2.47 -0.49 -4.97 119.74 124.71 3mly s LYS 209 Ca 0.11 0.17 -0.30 0.00 -1.56 0.00 0.00 55.97 54.39 3mly s LYS 209 Cb -0.11 -0.91 -0.06 0.00 -1.46 0.00 0.00 37.83 35.28 3mly s LYS 209 CO 0.02 -0.35 0.99 0.21 0.16 0.00 0.00 175.35 176.38 3mly s LYS 210 N 2.05 4.67 -0.26 4.03 2.20 -1.26 -1.14 119.74 130.02 3mly s LYS 210 Ca 0.04 1.51 -0.01 0.00 -0.36 0.00 0.00 55.97 57.15 3mly s LYS 210 Cb -0.13 -3.36 0.03 0.00 -1.51 0.00 0.00 37.83 32.87 3mly s LYS 210 CO -0.05 0.17 -0.05 0.08 -0.36 0.00 0.00 175.35 175.15 3mly s VAL 211 N 0.00 2.87 0.11 4.02 1.01 0.22 -4.84 120.40 123.80 3mly s VAL 211 Ca 0.48 -1.15 0.03 0.00 0.00 0.00 0.00 61.98 61.34 3mly s VAL 211 Cb -0.25 -2.52 -0.04 0.00 0.00 0.00 0.00 36.38 33.57 3mly s VAL 211 CO 0.31 0.10 -0.09 -1.83 0.00 0.00 0.00 175.10 173.59 3mly s GLU 212 N 1.29 0.91 0.38 2.72 -1.05 -1.26 -4.41 118.70 117.29 3mly s GLU 212 Ca -0.02 -1.29 -0.26 0.00 -0.15 0.00 0.00 54.97 53.26 3mly s GLU 212 Cb -0.18 -0.49 -0.12 0.00 -0.44 0.00 0.00 34.13 32.91 3mly s GLU 212 CO -0.04 0.06 1.01 -0.35 0.95 0.00 0.00 175.26 176.89 3mly n PRO 213 N 0.18 1.38 -1.71 -4.83 -0.04 -1.26 -4.61 135.00 124.11 3mly n PRO 213 Ca -0.13 0.49 -0.34 0.00 -0.04 0.00 0.00 63.50 63.48 3mly n PRO 213 Cb 0.59 -1.99 0.06 0.00 -0.04 0.00 0.00 33.50 32.12 3mly n PRO 213 CO 0.00 0.00 0.00 0.21 -0.04 0.00 0.00 175.50 175.67 3mly s LYS 214 N -1.86 2.65 0.00 0.54 2.47 -1.26 -5.02 119.74 117.27 3mly s LYS 214 Ca 0.61 1.55 0.00 0.00 -1.56 0.00 0.00 55.97 56.57 3mly s LYS 214 Cb -0.60 -1.92 0.00 0.00 -1.46 0.00 0.00 37.83 33.85 3mly s LYS 214 CO 0.58 -1.40 0.00 -1.13 0.16 0.00 0.00 175.35 173.57 3mly n SER 215 N -2.36 0.00 0.00 1.43 3.41 -1.26 -5.03 113.62 109.80 3mly n SER 215 Ca 0.12 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.73 3mly n SER 215 Cb 0.51 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.46 3mly n SER 215 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88