#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1r0a s ILE 2 N 0.00 5.30 0.03 1.69 1.01 -1.26 -4.09 121.20 123.88 1r0a s ILE 2 Ca 0.00 0.52 -0.06 0.00 0.00 0.00 0.00 60.65 61.10 1r0a s ILE 2 Cb 0.00 -3.59 -0.01 0.00 0.01 0.00 0.00 42.46 38.87 1r0a s ILE 2 CO 0.00 0.48 0.12 0.42 0.00 0.00 0.00 174.94 175.96 1r0a s THR 3 N -0.15 0.12 0.00 2.92 -4.23 -0.79 -5.00 115.64 108.51 1r0a s THR 3 Ca 0.17 -0.99 -0.01 0.00 -1.18 0.00 0.00 61.69 59.69 1r0a s THR 3 Cb -0.13 -0.82 -0.01 0.00 1.34 0.00 0.00 72.50 72.88 1r0a s THR 3 CO 0.05 -0.55 0.00 -0.76 -0.54 0.00 0.00 174.62 172.83 1r0a s LEU 4 N -2.00 2.03 -0.04 4.79 1.02 -1.26 -2.06 118.68 121.16 1r0a s LEU 4 Ca -0.07 -0.15 -0.02 0.00 0.02 0.00 0.00 54.13 53.92 1r0a s LEU 4 Cb -0.02 0.08 0.03 0.00 0.02 0.00 0.00 46.19 46.30 1r0a s LEU 4 CO -0.03 -0.11 0.06 -0.75 0.02 0.00 0.00 176.35 175.54 1r0a s LYS 5 N -0.50 -0.07 0.40 1.70 2.20 -0.04 -4.42 119.74 119.01 1r0a s LYS 5 Ca -0.06 0.37 -0.20 0.00 -0.36 0.00 0.00 55.97 55.72 1r0a s LYS 5 Cb -0.03 -0.49 -0.10 0.00 -1.51 0.00 0.00 37.83 35.69 1r0a s LYS 5 CO -0.00 -0.32 0.91 -1.21 -0.36 0.00 0.00 175.35 174.37 1r0a s GLU 6 N 2.11 4.23 0.00 4.03 8.01 -1.26 -1.56 118.70 134.26 1r0a s GLU 6 Ca 0.04 1.06 -0.07 0.00 0.01 0.00 0.00 54.97 56.01 1r0a s GLU 6 Cb -0.12 -2.30 0.00 0.00 -4.31 0.00 0.00 34.13 27.40 1r0a s GLU 6 CO -0.03 0.04 0.14 -1.54 0.01 0.00 0.00 175.26 173.88 1r0a s SER 7 N -2.13 0.02 0.00 -0.19 1.04 0.64 -4.78 113.70 108.30 1r0a s SER 7 Ca 0.59 -0.19 0.00 0.00 0.48 0.00 0.00 55.95 56.83 1r0a s SER 7 Cb -0.10 0.21 0.00 0.00 0.10 0.00 0.00 66.02 66.23 1r0a s SER 7 CO 0.15 -0.37 0.00 0.61 0.98 0.00 0.00 173.24 174.61 1r0a n GLY 8 N 1.48 1.49 0.58 7.32 0.00 -1.26 -0.74 105.19 114.05 1r0a n GLY 8 Ca -0.23 -0.57 0.12 0.00 0.00 0.00 0.00 46.02 45.34 1r0a n GLY 8 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1r0a n PRO 9 N 0.00 1.45 0.00 1.61 -0.04 -1.26 -4.95 135.00 131.81 1r0a n PRO 9 Ca 0.00 -1.16 0.00 0.00 -0.04 0.00 0.00 63.50 62.30 1r0a n PRO 9 Cb 0.00 -1.48 0.00 0.00 -0.04 0.00 0.00 33.50 31.98 1r0a n PRO 9 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1r0a n GLY 10 N 1.38 0.22 2.86 0.55 0.00 -1.24 -4.71 105.19 104.26 1r0a n GLY 10 Ca 0.11 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.98 1r0a n GLY 10 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1r0a s ILE 11 N 0.00 -0.10 -0.04 -0.61 2.07 -1.26 -0.13 121.20 121.14 1r0a s ILE 11 Ca 0.00 0.24 0.01 0.00 -1.41 0.00 0.00 60.65 59.49 1r0a s ILE 11 Cb 0.00 -0.22 0.02 0.00 0.13 0.00 0.00 42.46 42.39 1r0a s ILE 11 CO 0.00 0.10 -0.05 -0.69 -1.91 0.00 0.00 174.94 172.39 1r0a s VAL 12 N 1.44 0.56 0.38 4.00 1.01 0.13 -4.90 120.40 123.02 1r0a s VAL 12 Ca -0.06 -0.17 -0.28 0.00 0.00 0.00 0.00 61.98 61.47 1r0a s VAL 12 Cb -0.12 -0.56 -0.11 0.00 0.00 0.00 0.00 36.38 35.59 1r0a s VAL 12 CO -0.05 0.22 1.48 0.00 0.00 0.00 0.00 175.10 176.75 1r0a n GLN 13 N 3.80 2.64 -1.84 2.72 1.13 -1.26 -2.16 117.38 122.41 1r0a n GLN 13 Ca -0.23 0.93 -0.36 0.00 -1.94 0.00 0.00 57.00 55.39 1r0a n GLN 13 Cb 0.52 -2.66 0.05 0.00 0.11 0.00 0.00 30.24 28.26 1r0a n GLN 13 CO 0.00 0.00 0.00 -2.14 -1.44 0.00 0.00 177.06 173.48 1r0a s PRO 14 N -2.13 2.72 0.00 -1.09 0.02 -1.26 -2.43 135.00 130.82 1r0a s PRO 14 Ca 0.54 1.87 0.00 0.00 0.02 0.00 0.00 61.00 63.43 1r0a s PRO 14 Cb -0.47 -1.89 0.00 0.00 0.02 0.00 0.00 34.50 32.16 1r0a s PRO 14 CO 0.63 -1.42 0.00 0.43 -0.33 0.00 0.00 177.00 176.31 1r0a n SER 15 N -1.88 0.00 -4.85 2.53 7.64 0.19 -4.91 113.62 112.34 1r0a n SER 15 Ca 0.14 0.00 -0.27 0.00 1.01 0.00 0.00 58.87 59.75 1r0a n SER 15 Cb 0.49 -0.32 0.08 0.00 -1.01 0.00 0.00 64.21 63.46 1r0a n SER 15 CO 0.00 0.00 0.00 -1.10 -3.01 0.00 0.00 175.04 170.93 1r0a s GLN 16 N 0.00 2.00 0.38 1.43 -1.52 -1.02 -3.80 119.66 117.13 1r0a s GLN 16 Ca 0.00 -0.22 0.08 0.00 -1.95 0.00 0.00 55.36 53.27 1r0a s GLN 16 Cb 0.00 -2.10 -0.02 0.00 -0.22 0.00 0.00 33.01 30.67 1r0a s GLN 16 CO 0.00 -1.42 0.33 -1.25 -0.25 0.00 0.00 175.29 172.70 1r0a s PRO 17 N -5.37 2.59 0.04 2.91 0.04 -1.26 -1.10 135.00 132.85 1r0a s PRO 17 Ca 0.62 -1.45 -0.06 0.00 0.04 0.00 0.00 61.00 60.15 1r0a s PRO 17 Cb -0.10 -2.40 -0.01 0.00 0.04 0.00 0.00 34.50 32.03 1r0a s PRO 17 CO 0.46 -0.06 0.12 -0.59 0.04 0.00 0.00 177.00 176.97 1r0a s PHE 18 N -2.41 0.18 -0.19 0.56 -0.12 -0.93 -4.95 117.98 110.12 1r0a s PHE 18 Ca 0.45 -0.48 -0.01 0.00 -0.05 0.00 0.00 56.93 56.83 1r0a s PHE 18 Cb -0.04 -0.12 0.05 0.00 -0.63 0.00 0.00 43.02 42.28 1r0a s PHE 18 CO 0.27 -0.39 -0.02 0.50 -0.05 0.00 0.00 175.22 175.53 1r0a s ARG 19 N -2.72 1.16 0.09 1.99 3.52 -1.26 -1.80 118.95 119.94 1r0a s ARG 19 Ca -0.04 -0.59 -0.16 0.00 -0.13 0.00 0.00 55.73 54.82 1r0a s ARG 19 Cb -0.00 -2.16 -0.07 0.00 -1.56 0.00 0.00 34.95 31.16 1r0a s ARG 19 CO -0.05 -0.55 0.52 -0.51 -0.81 0.00 0.00 175.30 173.90 1r0a s LEU 20 N 1.66 4.42 -0.09 -0.88 1.43 -0.02 -4.65 118.68 120.56 1r0a s LEU 20 Ca -0.02 1.10 0.04 0.00 -1.03 0.00 0.00 54.13 54.22 1r0a s LEU 20 Cb -0.17 -3.02 0.00 0.00 0.03 0.00 0.00 46.19 43.04 1r0a s LEU 20 CO -0.07 0.20 -0.22 -0.89 0.23 0.00 0.00 176.35 175.60 1r0a s THR 21 N -1.28 1.87 -0.24 5.49 2.01 0.08 -1.08 115.64 122.49 1r0a s THR 21 Ca 0.32 -0.92 -0.06 0.00 0.31 0.00 0.00 61.69 61.35 1r0a s THR 21 Cb -0.17 -1.62 -0.02 0.00 0.01 0.00 0.00 72.50 70.71 1r0a s THR 21 CO 0.18 0.52 0.03 0.00 -0.69 0.00 0.00 174.62 174.66 1r0a s THR 23 N 1.56 3.45 0.11 0.00 2.01 -0.60 -0.59 115.64 121.58 1r0a s THR 23 Ca 0.06 -0.50 0.05 0.00 0.31 0.00 0.00 61.69 61.61 1r0a s THR 23 Cb -0.15 -2.51 -0.04 0.00 0.01 0.00 0.00 72.50 69.81 1r0a s THR 23 CO 0.01 0.48 -0.11 0.72 -0.69 0.00 0.00 174.62 175.02 1r0a s PHE 24 N 0.74 1.20 0.04 4.92 -0.12 -0.48 -0.86 117.98 123.42 1r0a s PHE 24 Ca -0.03 -0.63 -0.02 0.00 -0.05 0.00 0.00 56.93 56.20 1r0a s PHE 24 Cb -0.15 -0.64 -0.03 0.00 -0.63 0.00 0.00 43.02 41.57 1r0a s PHE 24 CO 0.02 0.06 -0.00 -1.54 -0.05 0.00 0.00 175.22 173.71 1r0a s SER 25 N -2.52 0.37 0.00 1.98 1.04 -0.87 -4.72 113.70 108.97 1r0a s SER 25 Ca 0.08 -0.79 0.00 0.00 0.48 0.00 0.00 55.95 55.72 1r0a s SER 25 Cb -0.03 0.18 0.00 0.00 0.10 0.00 0.00 66.02 66.27 1r0a s SER 25 CO 0.01 -0.51 0.00 0.61 0.98 0.00 0.00 173.24 174.33 1r0a n GLY 26 N 0.58 1.89 3.69 7.32 0.00 -1.26 -1.89 105.19 115.53 1r0a n GLY 26 Ca -0.17 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.76 1r0a n GLY 26 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1r0a s PHE 27 N -2.37 0.20 0.10 1.61 -0.71 -1.26 -4.83 117.98 110.72 1r0a s PHE 27 Ca 0.00 -0.62 0.10 0.00 -1.04 0.00 0.00 56.93 55.37 1r0a s PHE 27 Cb 0.00 0.41 -0.04 0.00 -1.21 0.00 0.00 43.02 42.18 1r0a s PHE 27 CO 0.00 -1.14 -0.25 0.45 -1.34 0.00 0.00 175.22 172.93 1r0a s SER 28 N -3.00 3.09 -0.00 1.98 0.15 -1.26 -4.97 113.70 109.67 1r0a s SER 28 Ca 0.18 -0.69 0.02 0.00 0.70 0.00 0.00 55.95 56.17 1r0a s SER 28 Cb -0.03 -0.22 0.06 0.00 -1.71 0.00 0.00 66.02 64.12 1r0a s SER 28 CO 0.09 0.17 1.02 0.18 1.20 0.00 0.00 173.24 175.90 1r0a n LEU 29 N 1.19 0.44 -0.08 3.45 4.77 -1.26 -3.06 117.00 122.45 1r0a n LEU 29 Ca -0.18 -0.22 -0.06 0.00 -0.03 0.00 0.00 56.01 55.52 1r0a n LEU 29 Cb 0.53 -0.08 -0.16 0.00 -2.33 0.00 0.00 43.42 41.38 1r0a n LEU 29 CO 0.23 0.10 -1.05 -1.20 -1.33 0.00 0.00 177.39 174.14 1r0a n SER 30 N -0.28 0.04 -4.63 -1.43 7.64 -1.26 -4.16 113.62 109.54 1r0a n SER 30 Ca 0.02 0.02 -0.43 0.00 1.01 0.00 0.00 58.87 59.50 1r0a n SER 30 Cb 0.08 1.13 -0.03 0.00 -1.01 0.00 0.00 64.21 64.38 1r0a n SER 30 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 1r0a s THR 31 N -2.69 3.58 0.18 0.44 2.01 -1.17 -4.92 115.64 113.06 1r0a s THR 31 Ca -0.09 0.65 -0.30 0.00 0.31 0.00 0.00 61.69 62.26 1r0a s THR 31 Cb 0.08 -3.60 -0.17 0.00 0.01 0.00 0.00 72.50 68.82 1r0a s THR 31 CO 0.84 -0.25 0.73 -0.24 -0.69 0.00 0.00 174.62 175.01 1r0a n SER 32 N 8.69 -0.48 0.00 3.53 2.88 -1.26 -1.94 113.62 125.04 1r0a n SER 32 Ca 0.20 1.14 0.00 0.00 -1.33 0.00 0.00 58.87 58.88 1r0a n SER 32 Cb 0.45 -1.01 0.00 0.00 -0.75 0.00 0.00 64.21 62.90 1r0a n SER 32 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1r0a n GLY 33 N 1.82 2.84 3.83 0.46 0.00 -1.26 -4.95 105.19 107.93 1r0a n GLY 33 Ca 0.17 -0.15 -0.31 0.00 0.00 0.00 0.00 46.02 45.73 1r0a n GLY 33 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1r0a s ILE 34 N -1.99 4.00 -0.14 -0.61 1.01 -0.82 -1.60 121.20 121.05 1r0a s ILE 34 Ca 0.00 0.65 -0.34 0.00 0.00 0.00 0.00 60.65 60.96 1r0a s ILE 34 Cb 0.00 -3.44 0.13 0.00 0.01 0.00 0.00 42.46 39.17 1r0a s ILE 34 CO 0.00 -0.85 1.25 -0.83 0.00 0.00 0.00 174.94 174.51 1r0a s GLY 35 N -3.88 -0.33 -0.06 6.18 0.00 -0.30 -2.00 107.32 106.94 1r0a s GLY 35 Ca 0.58 1.33 0.04 0.00 0.00 0.00 0.00 44.72 46.68 1r0a s GLY 35 CO 0.55 0.41 -0.18 0.14 0.00 0.00 0.00 173.10 174.01 1r0a s VAL 36 N -2.39 2.71 0.04 1.40 1.01 -0.51 -0.19 120.40 122.46 1r0a s VAL 36 Ca 0.11 -0.84 0.06 0.00 0.00 0.00 0.00 61.98 61.31 1r0a s VAL 36 Cb 0.01 -2.04 -0.03 0.00 0.00 0.00 0.00 36.38 34.32 1r0a s VAL 36 CO -0.04 0.58 -0.13 -0.89 0.00 0.00 0.00 175.10 174.61 1r0a s THR 37 N -0.47 3.13 -0.15 3.92 2.01 -0.07 -0.91 115.64 123.10 1r0a s THR 37 Ca 0.06 -1.07 -0.03 0.00 0.31 0.00 0.00 61.69 60.96 1r0a s THR 37 Cb -0.12 -2.35 -0.02 0.00 0.01 0.00 0.00 72.50 70.01 1r0a s THR 37 CO 0.01 0.32 -0.06 0.26 -0.69 0.00 0.00 174.62 174.47 1r0a s TRP 38 N -0.99 2.98 0.25 4.92 0.52 -0.15 -0.18 118.94 126.29 1r0a s TRP 38 Ca 0.16 -0.38 0.11 0.00 0.02 0.00 0.00 56.10 56.02 1r0a s TRP 38 Cb -0.11 -1.94 -0.05 0.00 -1.15 0.00 0.00 33.47 30.23 1r0a s TRP 38 CO 0.07 -0.08 -0.20 0.42 0.02 0.00 0.00 176.95 177.18 1r0a s ILE 39 N 0.38 2.36 0.04 2.03 -1.09 0.84 -1.36 121.20 124.40 1r0a s ILE 39 Ca -0.05 -2.30 0.02 0.00 -2.23 0.00 0.00 60.65 56.08 1r0a s ILE 39 Cb -0.15 -2.23 -0.02 0.00 -1.58 0.00 0.00 42.46 38.48 1r0a s ILE 39 CO 0.03 -0.36 -0.07 -0.60 -1.23 0.00 0.00 174.94 172.71 1r0a s ARG 40 N -3.34 0.51 -0.36 2.79 3.52 0.78 -0.47 118.95 122.37 1r0a s ARG 40 Ca 0.27 -0.75 0.02 0.00 -0.13 0.00 0.00 55.73 55.14 1r0a s ARG 40 Cb -0.05 -0.26 0.15 0.00 -1.56 0.00 0.00 34.95 33.23 1r0a s ARG 40 CO 0.13 0.04 0.35 -1.14 -0.81 0.00 0.00 175.30 173.87 1r0a s GLN 41 N -1.60 0.60 0.86 5.12 0.74 -0.03 -0.02 119.66 125.33 1r0a s GLN 41 Ca -0.10 -0.86 -0.15 0.00 0.05 0.00 0.00 55.36 54.30 1r0a s GLN 41 Cb -0.10 -0.79 -0.03 0.00 1.10 0.00 0.00 33.01 33.19 1r0a s GLN 41 CO 0.00 -1.18 0.20 -2.30 -0.55 0.00 0.00 175.29 171.46 1r0a n PRO 42 N 4.30 -0.02 -1.54 1.67 -0.02 -1.26 -2.28 135.00 135.85 1r0a n PRO 42 Ca 0.10 0.03 -0.43 0.00 -2.02 0.00 0.00 63.50 61.18 1r0a n PRO 42 Cb 0.44 -1.65 -0.05 0.00 -0.02 0.00 0.00 33.50 32.22 1r0a n PRO 42 CO 0.00 0.00 0.00 0.43 1.98 0.00 0.00 175.50 177.91 1r0a n SER 43 N 0.09 2.56 0.00 2.55 7.64 -1.26 -1.81 113.62 123.39 1r0a n SER 43 Ca 0.06 0.08 0.00 0.00 1.01 0.00 0.00 58.87 60.02 1r0a n SER 43 Cb 0.52 -1.45 0.00 0.00 -1.01 0.00 0.00 64.21 62.27 1r0a n SER 43 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1r0a n GLY 44 N 6.09 3.23 3.73 0.23 0.00 -1.26 -5.04 105.19 112.17 1r0a n GLY 44 Ca 0.37 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 46.14 1r0a n GLY 44 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1r0a n LYS 45 N -1.79 -0.62 -2.61 1.61 4.76 -0.75 -5.11 118.16 113.65 1r0a n LYS 45 Ca 0.00 -2.33 -0.24 0.00 -2.87 0.00 0.00 58.31 52.87 1r0a n LYS 45 Cb 0.00 -0.95 0.12 0.00 -1.84 0.00 0.00 35.03 32.36 1r0a n LYS 45 CO 0.00 0.00 0.00 0.20 -1.37 0.00 0.00 177.40 176.23 1r0a s GLY 46 N -5.37 1.75 0.34 0.72 0.00 -1.26 -4.57 107.32 98.92 1r0a s GLY 46 Ca 0.68 -1.86 -0.29 0.00 0.00 0.00 0.00 44.72 43.26 1r0a s GLY 46 CO 0.46 -1.23 1.43 1.08 0.00 0.00 0.00 173.10 174.84 1r0a s LEU 47 N -5.19 4.37 -0.08 0.66 1.43 -1.26 -4.38 118.68 114.22 1r0a s LEU 47 Ca 0.68 2.88 -0.00 0.00 -1.03 0.00 0.00 54.13 56.66 1r0a s LEU 47 Cb -0.04 -3.65 0.02 0.00 0.03 0.00 0.00 46.19 42.55 1r0a s LEU 47 CO 0.45 -0.74 -0.05 -0.70 0.23 0.00 0.00 176.35 175.54 1r0a s GLU 48 N -1.66 1.04 0.16 1.70 2.12 0.97 -4.97 118.70 118.05 1r0a s GLU 48 Ca 0.53 -0.10 -0.30 0.00 0.36 0.00 0.00 54.97 55.46 1r0a s GLU 48 Cb -0.44 -1.16 -0.07 0.00 0.26 0.00 0.00 34.13 32.72 1r0a s GLU 48 CO 0.56 -0.20 1.15 -0.46 -0.54 0.00 0.00 175.26 175.76 1r0a s TRP 49 N 1.49 3.51 -0.16 5.30 -0.00 -1.26 -0.16 118.94 127.66 1r0a s TRP 49 Ca -0.01 1.50 -0.10 0.00 -0.00 0.00 0.00 56.10 57.48 1r0a s TRP 49 Cb -0.13 -3.35 -0.07 0.00 -0.00 0.00 0.00 33.47 29.92 1r0a s TRP 49 CO -0.04 -0.90 -0.25 1.28 -0.00 0.00 0.00 176.95 177.05 1r0a n LEU 50 N 2.69 1.45 -3.59 5.86 4.77 -0.47 -4.73 117.00 122.98 1r0a n LEU 50 Ca 0.04 0.25 -0.04 0.00 -0.03 0.00 0.00 56.01 56.23 1r0a n LEU 50 Cb 0.46 -0.58 -0.02 0.00 -2.33 0.00 0.00 43.42 40.95 1r0a n LEU 50 CO 0.55 0.16 0.94 0.00 -1.33 0.00 0.00 177.39 177.70 1r0a s ALA 51 N -2.43 -2.03 -0.06 -1.18 0.00 -1.19 -1.50 121.76 113.37 1r0a s ALA 51 Ca -0.25 1.24 0.00 0.00 0.00 0.00 0.00 51.96 52.96 1r0a s ALA 51 Cb 0.08 0.12 0.02 0.00 0.00 0.00 0.00 23.12 23.34 1r0a s ALA 51 CO 0.33 -0.72 -0.04 0.99 0.00 0.00 0.00 175.76 176.32 1r0a s THR 52 N -2.61 0.54 -0.26 0.00 2.01 -0.05 -0.98 115.64 114.29 1r0a s THR 52 Ca 0.09 -0.08 -0.10 0.00 0.31 0.00 0.00 61.69 61.92 1r0a s THR 52 Cb -0.00 -0.59 -0.04 0.00 0.01 0.00 0.00 72.50 71.87 1r0a s THR 52 CO -0.05 0.24 0.14 -0.51 -0.69 0.00 0.00 174.62 173.76 1r0a s ILE 53 N 1.23 4.98 0.40 1.82 2.07 -0.09 -1.49 121.20 130.11 1r0a s ILE 53 Ca -0.06 0.05 0.02 0.00 -1.41 0.00 0.00 60.65 59.25 1r0a s ILE 53 Cb -0.14 -3.34 -0.01 0.00 0.13 0.00 0.00 42.46 39.10 1r0a s ILE 53 CO -0.02 0.31 0.59 0.26 -1.91 0.00 0.00 174.94 174.17 1r0a s TRP 54 N 1.50 3.25 0.44 3.50 0.52 -1.26 -1.43 118.94 125.47 1r0a s TRP 54 Ca 0.07 0.13 0.31 0.00 0.02 0.00 0.00 56.10 56.63 1r0a s TRP 54 Cb -0.15 -2.14 1.67 0.00 -1.15 0.00 0.00 33.47 31.71 1r0a s TRP 54 CO 0.07 -0.16 1.93 0.11 0.02 0.00 0.00 176.95 178.92 1r0a h TRP 55 N 0.61 0.00 -0.49 -1.98 0.09 -1.56 0.18 115.95 112.79 1r0a h TRP 55 Ca -0.47 0.00 -0.35 0.00 0.09 0.00 0.00 58.89 58.17 1r0a h TRP 55 Cb 1.25 0.00 -0.25 0.00 0.08 0.00 0.00 29.16 30.24 1r0a h TRP 55 CO 0.45 0.00 -0.53 -0.40 0.09 0.00 0.00 178.44 178.05 1r0a n ASP 56 N -2.73 3.81 -1.44 0.11 5.75 -1.26 -4.79 116.55 116.00 1r0a n ASP 56 Ca -0.02 -3.81 -0.01 0.00 -0.01 0.00 0.00 54.79 50.95 1r0a n ASP 56 Cb 0.23 -0.47 -0.00 0.00 -1.03 0.00 0.00 41.12 39.84 1r0a n ASP 56 CO 0.00 0.00 0.00 0.47 -0.11 0.00 0.00 177.20 177.56 1r0a n ASP 57 N -0.90 -0.43 -3.52 -1.12 9.92 0.05 -4.77 116.55 115.78 1r0a n ASP 57 Ca 0.36 0.15 -0.40 0.00 -0.53 0.00 0.00 54.79 54.37 1r0a n ASP 57 Cb 0.88 -0.76 -0.00 0.00 -0.64 0.00 0.00 41.12 40.59 1r0a n ASP 57 CO 0.00 0.00 0.00 -0.67 0.13 0.00 0.00 177.20 176.66 1r0a n ASP 58 N 0.24 7.71 -4.73 -2.24 2.03 -1.26 -4.86 116.55 113.44 1r0a n ASP 58 Ca -0.01 -3.12 -0.33 0.00 0.52 0.00 0.00 54.79 51.85 1r0a n ASP 58 Cb 0.16 -1.38 0.10 0.00 -0.72 0.00 0.00 41.12 39.28 1r0a n ASP 58 CO 0.00 0.00 0.00 0.20 -1.92 0.00 0.00 177.20 175.48 1r0a s ASN 59 N 0.47 4.11 -0.05 1.67 0.02 -1.26 -4.53 114.94 115.38 1r0a s ASN 59 Ca 0.53 2.17 0.02 0.00 -1.02 0.00 0.00 52.86 54.56 1r0a s ASN 59 Cb 0.17 -2.57 0.01 0.00 0.02 0.00 0.00 41.25 38.89 1r0a s ASN 59 CO -0.08 -2.31 -0.09 -0.13 0.02 0.00 0.00 177.10 174.51 1r0a s ARG 60 N -4.27 1.22 0.06 -0.60 1.81 -0.56 -4.99 118.95 111.63 1r0a s ARG 60 Ca 0.69 -0.30 0.08 0.00 -1.72 0.00 0.00 55.73 54.48 1r0a s ARG 60 Cb -0.24 -1.09 -0.03 0.00 -0.45 0.00 0.00 34.95 33.14 1r0a s ARG 60 CO 0.49 0.03 -0.19 0.71 -0.68 0.00 0.00 175.30 175.67 1r0a s TYR 61 N 0.55 2.53 -0.15 -0.53 1.51 -1.26 -0.87 117.35 119.13 1r0a s TYR 61 Ca -0.10 -0.27 -0.29 0.00 -1.01 0.00 0.00 57.07 55.40 1r0a s TYR 61 Cb -0.13 -1.42 -0.03 0.00 -0.11 0.00 0.00 41.96 40.27 1r0a s TYR 61 CO 0.02 0.28 1.43 1.21 -1.11 0.00 0.00 175.55 177.38 1r0a s ASN 62 N -1.64 6.78 0.23 2.29 3.04 -0.56 -4.82 114.94 120.26 1r0a s ASN 62 Ca 0.15 1.81 -0.12 0.00 0.04 0.00 0.00 52.86 54.75 1r0a s ASN 62 Cb -0.10 -2.54 0.32 0.00 -1.54 0.00 0.00 41.25 37.39 1r0a s ASN 62 CO 0.06 -0.89 1.44 -2.65 -3.04 0.00 0.00 177.10 172.02 1r0a n PRO 63 N 6.94 -0.15 -0.06 0.43 -0.02 -1.26 -0.12 135.00 140.77 1r0a n PRO 63 Ca 0.16 1.43 0.19 0.00 -2.02 0.00 0.00 63.50 63.25 1r0a n PRO 63 Cb 0.44 -2.13 0.63 0.00 -0.02 0.00 0.00 33.50 32.42 1r0a n PRO 63 CO 0.00 0.00 0.00 0.77 1.98 0.00 0.00 175.50 178.25 1r0a h SER 64 N 0.00 0.13 -0.00 2.55 0.02 -1.99 -3.14 113.55 111.11 1r0a h SER 64 Ca 0.38 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 61.34 1r0a h SER 64 Cb 0.61 -0.02 0.00 0.00 0.14 0.00 0.00 62.40 63.13 1r0a h SER 64 CO -0.93 0.07 -0.03 0.18 -1.14 0.00 0.00 176.83 174.98 1r0a n LEU 65 N -4.41 0.88 -0.44 5.07 4.77 0.83 -4.73 117.00 118.98 1r0a n LEU 65 Ca 0.11 -0.86 0.41 0.00 -0.03 0.00 0.00 56.01 55.64 1r0a n LEU 65 Cb 0.58 0.00 0.77 0.00 -2.33 0.00 0.00 43.42 42.45 1r0a n LEU 65 CO 0.36 0.20 1.37 0.50 -1.33 0.00 0.00 177.39 178.49 1r0a h LYS 66 N 0.32 0.00 -0.68 3.23 3.64 -0.79 0.58 116.57 122.88 1r0a h LYS 66 Ca 0.00 -0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1r0a h LYS 66 Cb 0.08 -0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 31.87 1r0a h LYS 66 CO 0.00 0.00 0.42 1.03 -2.27 0.00 0.00 179.45 178.63 1r0a h SER 67 N 0.01 0.80 -0.17 4.20 0.87 -1.85 -3.14 113.55 114.27 1r0a h SER 67 Ca 0.68 -0.04 0.00 0.00 -1.23 0.00 0.00 61.79 61.20 1r0a h SER 67 Cb 2.71 -0.20 0.00 0.00 -0.44 0.00 0.00 62.40 64.46 1r0a h SER 67 CO -0.01 0.61 0.00 0.54 -0.53 0.00 0.00 176.83 177.44 1r0a n ARG 68 N -4.40 2.60 -4.38 2.24 1.74 0.16 -4.95 116.66 109.67 1r0a n ARG 68 Ca 0.07 -2.25 -0.30 0.00 -0.77 0.00 0.00 57.85 54.60 1r0a n ARG 68 Cb 0.06 -1.42 -0.11 0.00 -1.02 0.00 0.00 32.46 29.97 1r0a n ARG 68 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1r0a s LEU 69 N -1.89 2.75 -0.19 0.55 1.43 -1.01 -0.04 118.68 120.29 1r0a s LEU 69 Ca 0.25 -0.49 -0.07 0.00 -1.03 0.00 0.00 54.13 52.79 1r0a s LEU 69 Cb 0.19 -1.60 0.08 0.00 0.03 0.00 0.00 46.19 44.89 1r0a s LEU 69 CO 0.08 0.20 0.40 -0.89 0.23 0.00 0.00 176.35 176.37 1r0a s THR 70 N -1.10 -0.55 0.16 5.49 2.01 -0.95 -4.90 115.64 115.80 1r0a s THR 70 Ca 0.18 0.17 0.03 0.00 0.31 0.00 0.00 61.69 62.38 1r0a s THR 70 Cb -0.11 -0.63 -0.03 0.00 0.01 0.00 0.00 72.50 71.73 1r0a s THR 70 CO 0.10 0.07 0.27 -0.69 -0.69 0.00 0.00 174.62 173.68 1r0a s VAL 71 N 2.45 5.18 0.18 3.82 1.01 -1.26 -0.54 120.40 131.23 1r0a s VAL 71 Ca -0.02 -0.79 -0.24 0.00 0.00 0.00 0.00 61.98 60.93 1r0a s VAL 71 Cb -0.12 -3.68 0.06 0.00 0.00 0.00 0.00 36.38 32.64 1r0a s VAL 71 CO -0.12 -0.13 0.93 -0.94 0.00 0.00 0.00 175.10 174.85 1r0a s SER 72 N -3.31 -0.16 0.20 3.32 1.04 -0.68 -4.97 113.70 109.14 1r0a s SER 72 Ca 0.34 -0.49 -0.12 0.00 0.48 0.00 0.00 55.95 56.16 1r0a s SER 72 Cb -0.11 0.53 0.00 0.00 0.10 0.00 0.00 66.02 66.55 1r0a s SER 72 CO 0.28 -1.00 0.40 -1.59 0.98 0.00 0.00 173.24 172.31 1r0a s LYS 73 N -3.22 1.34 -0.42 4.02 -2.85 -1.26 0.02 119.74 117.37 1r0a s LYS 73 Ca 0.13 -1.14 0.04 0.00 -1.00 0.00 0.00 55.97 54.01 1r0a s LYS 73 Cb -0.02 0.44 0.17 0.00 -2.06 0.00 0.00 37.83 36.36 1r0a s LYS 73 CO 0.04 -0.54 0.35 0.34 0.10 0.00 0.00 175.35 175.63 1r0a s ASP 74 N -2.97 1.60 0.39 0.03 2.15 -0.83 -4.98 116.67 112.06 1r0a s ASP 74 Ca 0.17 -3.09 0.19 0.00 0.43 0.00 0.00 52.55 50.25 1r0a s ASP 74 Cb 0.01 -0.49 1.14 0.00 -0.30 0.00 0.00 42.92 43.27 1r0a s ASP 74 CO 0.03 -0.17 1.72 0.74 -0.17 0.00 0.00 175.17 177.32 1r0a h THR 75 N 4.63 0.41 0.00 1.71 2.02 -1.97 0.13 112.91 119.83 1r0a h THR 75 Ca 0.26 -0.12 0.00 0.00 0.77 0.00 0.00 66.41 67.32 1r0a h THR 75 Cb 0.90 0.03 0.00 0.00 -1.74 0.00 0.00 68.15 67.35 1r0a h THR 75 CO 0.39 0.06 0.00 0.28 0.37 0.00 0.00 175.52 176.62 1r0a h SER 76 N 0.34 0.00 -0.05 4.18 0.02 -1.95 -2.96 113.55 113.14 1r0a h SER 76 Ca 0.67 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.62 1r0a h SER 76 Cb 1.71 0.00 0.00 0.00 0.14 0.00 0.00 62.40 64.25 1r0a h SER 76 CO -0.39 0.00 0.00 0.59 -1.14 0.00 0.00 176.83 175.89 1r0a n ASN 77 N -2.49 2.11 -3.83 3.07 4.13 0.40 -5.00 115.26 113.64 1r0a n ASN 77 Ca 0.01 -1.97 -0.24 0.00 1.68 0.00 0.00 54.58 54.06 1r0a n ASN 77 Cb 0.24 -0.03 0.01 0.00 -1.54 0.00 0.00 39.78 38.45 1r0a n ASN 77 CO 0.00 0.00 0.00 0.59 0.28 0.00 0.00 177.26 178.13 1r0a n ASN 78 N -0.33 -1.28 -4.23 6.41 3.02 -0.92 -4.83 115.26 113.10 1r0a n ASN 78 Ca 0.02 -0.89 -0.21 0.00 -0.03 0.00 0.00 54.58 53.47 1r0a n ASN 78 Cb 0.27 -3.63 -0.12 0.00 -0.61 0.00 0.00 39.78 35.69 1r0a n ASN 78 CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 1r0a s GLN 79 N -6.29 0.98 0.06 3.52 -0.21 -1.19 -1.39 119.66 115.15 1r0a s GLN 79 Ca 0.10 -1.09 0.04 0.00 0.02 0.00 0.00 55.36 54.43 1r0a s GLN 79 Cb -0.05 -1.09 -0.03 0.00 1.00 0.00 0.00 33.01 32.84 1r0a s GLN 79 CO 0.85 0.24 -0.11 0.00 -2.12 0.00 0.00 175.29 174.15 1r0a s ALA 80 N -1.34 0.90 0.14 6.09 0.00 0.24 -1.97 121.76 125.83 1r0a s ALA 80 Ca 0.03 -0.90 0.04 0.00 0.00 0.00 0.00 51.96 51.13 1r0a s ALA 80 Cb -0.09 -0.03 -0.04 0.00 0.00 0.00 0.00 23.12 22.95 1r0a s ALA 80 CO 0.03 0.08 -0.10 -0.06 0.00 0.00 0.00 175.76 175.71 1r0a s PHE 81 N -1.35 1.23 -0.09 0.00 0.40 0.10 -0.23 117.98 118.05 1r0a s PHE 81 Ca -0.05 -0.77 -0.02 0.00 -0.60 0.00 0.00 56.93 55.49 1r0a s PHE 81 Cb -0.10 -0.63 0.03 0.00 0.51 0.00 0.00 43.02 42.84 1r0a s PHE 81 CO 0.01 0.06 0.02 -1.17 0.70 0.00 0.00 175.22 174.84 1r0a s LEU 82 N -3.15 0.61 0.03 -0.37 2.96 -0.24 -1.69 118.68 116.83 1r0a s LEU 82 Ca 0.16 -0.19 -0.01 0.00 -0.22 0.00 0.00 54.13 53.88 1r0a s LEU 82 Cb 0.03 -0.42 -0.04 0.00 0.50 0.00 0.00 46.19 46.26 1r0a s LEU 82 CO 0.00 -0.22 0.17 0.20 -1.32 0.00 0.00 176.35 175.18 1r0a s ASN 83 N 1.98 6.20 -0.10 3.68 0.01 0.29 -0.84 114.94 126.16 1r0a s ASN 83 Ca 0.04 0.25 -0.03 0.00 -0.71 0.00 0.00 52.86 52.41 1r0a s ASN 83 Cb -0.13 -1.88 0.04 0.00 0.41 0.00 0.00 41.25 39.69 1r0a s ASN 83 CO -0.06 0.21 0.05 -0.32 -1.51 0.00 0.00 177.10 175.48 1r0a s MET 84 N -2.24 0.18 0.44 -0.60 -2.45 -0.75 -2.25 119.30 111.64 1r0a s MET 84 Ca 0.31 0.11 -0.05 0.00 -1.25 0.00 0.00 55.69 54.81 1r0a s MET 84 Cb -0.13 -1.13 -0.04 0.00 1.25 0.00 0.00 34.83 34.78 1r0a s MET 84 CO 0.23 -0.45 0.73 -1.64 1.05 0.00 0.00 175.02 174.94 1r0a s MET 85 N 2.09 3.56 -0.55 4.11 1.00 0.95 -2.19 119.30 128.27 1r0a s MET 85 Ca 0.04 0.12 -0.00 0.00 0.00 0.00 0.00 55.69 55.84 1r0a s MET 85 Cb -0.14 -2.44 0.00 0.00 0.00 0.00 0.00 34.83 32.25 1r0a s MET 85 CO -0.06 -0.10 0.40 2.41 0.00 0.00 0.00 175.02 177.67 1r0a n THR 86 N -2.00 -2.13 -2.49 2.05 -1.04 -1.22 -4.85 114.28 102.60 1r0a n THR 86 Ca -0.00 -0.01 -0.34 0.00 -2.04 0.00 0.00 64.05 61.66 1r0a n THR 86 Cb 0.55 -1.90 -0.03 0.00 -1.82 0.00 0.00 70.33 67.13 1r0a n THR 86 CO 0.00 0.00 0.00 0.68 -0.64 0.00 0.00 175.07 175.11 1r0a s VAL 87 N -2.65 3.79 0.30 12.58 -7.23 -0.26 -4.66 120.40 122.27 1r0a s VAL 87 Ca 0.00 1.08 0.07 0.00 -1.81 0.00 0.00 61.98 61.32 1r0a s VAL 87 Cb -0.00 -3.44 -0.06 0.00 0.56 0.00 0.00 36.38 33.44 1r0a s VAL 87 CO 0.60 -0.27 -0.06 -1.83 -0.31 0.00 0.00 175.10 173.23 1r0a s GLU 88 N -3.33 1.61 0.41 4.82 -1.05 -1.26 0.53 118.70 120.43 1r0a s GLU 88 Ca 0.67 -1.82 0.17 0.00 -0.15 0.00 0.00 54.97 53.84 1r0a s GLU 88 Cb -0.16 -1.24 1.08 0.00 -0.44 0.00 0.00 34.13 33.36 1r0a s GLU 88 CO 0.22 0.04 1.84 1.79 0.95 0.00 0.00 175.26 180.10 1r0a h THR 89 N 2.22 0.65 0.00 1.83 1.35 -1.97 0.24 112.91 117.23 1r0a h THR 89 Ca -0.40 -0.14 0.00 0.00 -0.55 0.00 0.00 66.41 65.31 1r0a h THR 89 Cb 1.24 0.20 0.00 0.00 -1.73 0.00 0.00 68.15 67.86 1r0a h THR 89 CO 0.68 0.08 0.00 0.00 -0.25 0.00 0.00 175.52 176.03 1r0a n ALA 90 N -2.51 1.26 1.40 6.62 0.00 -1.26 -0.77 120.51 125.25 1r0a n ALA 90 Ca 0.20 -0.01 0.14 0.00 0.00 0.00 0.00 53.44 53.77 1r0a n ALA 90 Cb 0.73 -1.05 0.44 0.00 0.00 0.00 0.00 19.45 19.57 1r0a n ALA 90 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1r0a n ASP 91 N -1.37 1.78 -4.62 0.00 8.00 0.86 -4.82 116.55 116.39 1r0a n ASP 91 Ca 0.01 -1.59 -0.43 0.00 0.71 0.00 0.00 54.79 53.49 1r0a n ASP 91 Cb 0.03 0.00 -0.02 0.00 -0.02 0.00 0.00 41.12 41.11 1r0a n ASP 91 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 1r0a s THR 92 N -2.01 3.81 0.14 -3.53 2.01 0.05 -4.79 115.64 111.32 1r0a s THR 92 Ca 0.36 0.88 -0.20 0.00 0.31 0.00 0.00 61.69 63.04 1r0a s THR 92 Cb 0.21 -3.93 0.07 0.00 0.01 0.00 0.00 72.50 68.86 1r0a s THR 92 CO 0.33 -0.48 0.95 0.00 -0.69 0.00 0.00 174.62 174.74 1r0a n ALA 93 N 8.66 -2.52 -2.73 7.40 0.00 -0.26 -4.11 120.51 126.95 1r0a n ALA 93 Ca 0.18 -0.90 -0.37 0.00 0.00 0.00 0.00 53.44 52.36 1r0a n ALA 93 Cb 0.46 0.47 -0.07 0.00 0.00 0.00 0.00 19.45 20.32 1r0a n ALA 93 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1r0a s ILE 94 N -2.10 5.34 -0.22 0.00 1.09 -0.97 -0.98 121.20 123.36 1r0a s ILE 94 Ca 0.21 0.44 -0.04 0.00 -1.10 0.00 0.00 60.65 60.16 1r0a s ILE 94 Cb -0.02 -3.55 -0.01 0.00 -1.06 0.00 0.00 42.46 37.81 1r0a s ILE 94 CO 0.04 0.50 -0.02 -0.31 -0.10 0.00 0.00 174.94 175.05 1r0a s TYR 95 N -0.27 2.98 0.23 3.97 1.51 0.08 -0.85 117.35 125.00 1r0a s TYR 95 Ca 0.16 -0.78 0.07 0.00 -1.01 0.00 0.00 57.07 55.51 1r0a s TYR 95 Cb -0.13 -2.11 -0.04 0.00 -0.11 0.00 0.00 41.96 39.57 1r0a s TYR 95 CO 0.05 -0.46 0.12 0.71 -1.11 0.00 0.00 175.55 174.85 1r0a s TYR 96 N 1.38 3.00 0.07 2.71 1.51 0.38 -2.24 117.35 124.15 1r0a s TYR 96 Ca 0.05 -0.12 0.07 0.00 -1.01 0.00 0.00 57.07 56.06 1r0a s TYR 96 Cb -0.14 -1.38 -0.03 0.00 -0.11 0.00 0.00 41.96 40.30 1r0a s TYR 96 CO -0.01 0.54 -0.19 0.00 -1.11 0.00 0.00 175.55 174.78 1r0a s ALA 98 N -1.00 -0.47 -0.04 0.00 0.00 0.74 -2.04 121.76 118.95 1r0a s ALA 98 Ca 0.05 0.58 -0.30 0.00 0.00 0.00 0.00 51.96 52.29 1r0a s ALA 98 Cb -0.09 -0.34 -0.05 0.00 0.00 0.00 0.00 23.12 22.64 1r0a s ALA 98 CO 0.03 -0.10 1.51 -1.14 0.00 0.00 0.00 175.76 176.06 1r0a s GLN 99 N 0.22 4.22 -0.04 0.00 0.74 -0.33 -0.89 119.66 123.59 1r0a s GLN 99 Ca -0.01 2.04 0.01 0.00 0.05 0.00 0.00 55.36 57.45 1r0a s GLN 99 Cb -0.02 -3.78 -0.03 0.00 1.10 0.00 0.00 33.01 30.27 1r0a s GLN 99 CO -0.01 -0.73 -0.04 0.45 -0.55 0.00 0.00 175.29 174.42 1r0a s SER 100 N 2.57 4.86 -0.19 6.67 0.15 0.73 -1.63 113.70 126.85 1r0a s SER 100 Ca 0.67 -0.01 -0.10 0.00 0.70 0.00 0.00 55.95 57.22 1r0a s SER 100 Cb -0.31 -1.25 0.07 0.00 -1.71 0.00 0.00 66.02 62.82 1r0a s SER 100 CO 0.26 0.33 0.46 0.00 1.20 0.00 0.00 173.24 175.50 1r0a s ALA 101 N -0.92 -1.22 -0.39 5.45 0.00 -0.63 -1.14 121.76 122.91 1r0a s ALA 101 Ca 0.15 1.69 -0.24 0.00 0.00 0.00 0.00 51.96 53.56 1r0a s ALA 101 Cb -0.11 -1.09 0.02 0.00 0.00 0.00 0.00 23.12 21.93 1r0a s ALA 101 CO 0.04 -0.37 0.84 0.42 0.00 0.00 0.00 175.76 176.69 1r0a s ILE 102 N 1.66 4.65 -0.15 0.00 1.01 -0.63 -3.37 121.20 124.37 1r0a s ILE 102 Ca -0.08 0.90 0.10 0.00 0.00 0.00 0.00 60.65 61.56 1r0a s ILE 102 Cb -0.08 -4.29 -0.16 0.00 0.01 0.00 0.00 42.46 37.94 1r0a s ILE 102 CO -0.14 -0.55 -0.00 0.41 0.00 0.00 0.00 174.94 174.66 1r0a n THR 103 N 5.96 0.96 -4.08 2.92 -1.04 -0.16 -4.64 114.28 114.20 1r0a n THR 103 Ca 0.04 -0.54 -0.05 0.00 -2.04 0.00 0.00 64.05 61.47 1r0a n THR 103 Cb 0.48 -0.76 -0.02 0.00 -1.82 0.00 0.00 70.33 68.22 1r0a n THR 103 CO 0.00 0.00 0.00 -1.54 -0.64 0.00 0.00 175.07 172.89 1r0a n SER 104 N -2.64 -0.02 0.07 8.00 3.41 -1.23 -4.96 113.62 116.26 1r0a n SER 104 Ca -0.25 -1.56 0.09 0.00 -0.26 0.00 0.00 58.87 56.90 1r0a n SER 104 Cb 0.92 0.40 0.38 0.00 -0.26 0.00 0.00 64.21 65.65 1r0a n SER 104 CO 0.00 0.00 0.00 0.52 -0.16 0.00 0.00 175.04 175.40 1r0a n VAL 105 N -0.17 1.01 0.00 -3.33 0.31 -1.26 -3.81 118.33 111.08 1r0a n VAL 105 Ca 0.01 0.29 0.00 0.00 -0.01 0.00 0.00 64.34 64.64 1r0a n VAL 105 Cb 0.15 -1.16 0.00 0.00 -0.91 0.00 0.00 33.84 31.93 1r0a n VAL 105 CO 0.00 0.00 0.00 0.35 -1.32 0.00 0.00 176.83 175.86 1r0a n THR 106 N -1.86 0.00 -2.66 2.52 -2.24 -1.26 -5.05 114.28 103.72 1r0a n THR 106 Ca 0.02 0.00 -0.43 0.00 -2.27 0.00 0.00 64.05 61.37 1r0a n THR 106 Cb 0.17 -0.70 -0.02 0.00 -2.10 0.00 0.00 70.33 67.69 1r0a n THR 106 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 1r0a s ASP 107 N -2.91 7.14 -0.29 3.42 1.01 -1.25 -4.99 116.67 118.80 1r0a s ASP 107 Ca 0.00 1.43 0.02 0.00 0.71 0.00 0.00 52.55 54.71 1r0a s ASP 107 Cb 0.00 -2.54 0.18 0.00 1.01 0.00 0.00 42.92 41.57 1r0a s ASP 107 CO 0.00 -0.61 0.53 -0.55 0.21 0.00 0.00 175.17 174.76 1r0a s SER 108 N 1.18 -0.96 0.19 0.27 0.15 -1.26 -0.99 113.70 112.28 1r0a s SER 108 Ca 0.45 0.26 -0.01 0.00 0.70 0.00 0.00 55.95 57.35 1r0a s SER 108 Cb -0.16 1.78 -0.04 0.00 -1.71 0.00 0.00 66.02 65.89 1r0a s SER 108 CO 0.10 -0.30 0.12 0.00 1.20 0.00 0.00 173.24 174.35 1r0a s ALA 109 N 2.75 1.11 -1.00 5.45 0.00 -1.22 -4.97 121.76 123.88 1r0a s ALA 109 Ca 0.13 -1.66 -0.15 0.00 0.00 0.00 0.00 51.96 50.29 1r0a s ALA 109 Cb -0.12 1.30 0.19 0.00 0.00 0.00 0.00 23.12 24.48 1r0a s ALA 109 CO -0.24 -0.57 1.10 -1.64 0.00 0.00 0.00 175.76 174.40 1r0a s MET 110 N -4.14 3.82 0.21 0.00 -1.94 -1.26 -1.60 119.30 114.39 1r0a s MET 110 Ca 0.36 -2.38 -0.09 0.00 -1.71 0.00 0.00 55.69 51.87 1r0a s MET 110 Cb 0.07 -4.76 0.29 0.00 2.01 0.00 0.00 34.83 32.44 1r0a s MET 110 CO 0.10 -1.56 1.73 -0.44 -0.01 0.00 0.00 175.02 174.85 1r0a h ASP 111 N 7.81 0.17 -3.98 3.03 5.19 -1.67 -3.44 116.42 123.53 1r0a h ASP 111 Ca 0.18 0.09 -0.35 0.00 -0.62 0.00 0.00 57.03 56.33 1r0a h ASP 111 Cb 0.97 0.09 -0.28 0.00 0.18 0.00 0.00 39.33 40.28 1r0a h ASP 111 CO 1.03 0.10 -0.76 -1.00 -3.12 0.00 0.00 179.24 175.48 1r0a s HIS 112 N -6.09 0.61 0.35 4.55 3.76 -1.22 -5.00 115.29 112.24 1r0a s HIS 112 Ca -0.13 -0.13 0.08 0.00 -0.15 0.00 0.00 55.06 54.74 1r0a s HIS 112 Cb 0.17 -0.39 -0.04 0.00 1.11 0.00 0.00 32.58 33.43 1r0a s HIS 112 CO 0.74 -0.01 0.13 -1.58 -0.85 0.00 0.00 174.74 173.17 1r0a s TRP 113 N -0.20 2.68 0.48 1.40 0.52 -1.26 -1.18 118.94 121.38 1r0a s TRP 113 Ca 0.02 -0.41 0.08 0.00 0.02 0.00 0.00 56.10 55.81 1r0a s TRP 113 Cb -0.03 -1.66 0.03 0.00 -1.15 0.00 0.00 33.47 30.66 1r0a s TRP 113 CO -0.00 0.34 0.57 0.20 0.02 0.00 0.00 176.95 178.07 1r0a s GLY 114 N -3.84 1.99 0.14 0.98 0.00 -0.86 -4.56 107.32 101.16 1r0a s GLY 114 Ca 0.38 -1.81 0.27 0.00 0.00 0.00 0.00 44.72 43.55 1r0a s GLY 114 CO 0.22 -1.66 1.83 -1.06 0.00 0.00 0.00 173.10 172.43 1r0a n GLN 115 N -1.88 0.17 0.00 2.90 6.02 -1.26 -4.80 117.38 118.53 1r0a n GLN 115 Ca 0.08 0.14 0.00 0.00 -0.01 0.00 0.00 57.00 57.21 1r0a n GLN 115 Cb 0.61 -1.70 0.00 0.00 1.02 0.00 0.00 30.24 30.17 1r0a n GLN 115 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1r0a n GLY 116 N 1.37 0.76 3.09 1.08 0.00 -1.26 -4.98 105.19 105.25 1r0a n GLY 116 Ca 0.06 -2.12 -0.12 0.00 0.00 0.00 0.00 46.02 43.83 1r0a n GLY 116 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1r0a s THR 117 N -1.25 0.01 -0.40 2.61 2.01 -0.95 -4.45 115.64 113.22 1r0a s THR 117 Ca 0.00 -0.07 -0.16 0.00 0.31 0.00 0.00 61.69 61.77 1r0a s THR 117 Cb 0.00 -0.31 0.01 0.00 0.01 0.00 0.00 72.50 72.21 1r0a s THR 117 CO 0.00 -0.04 0.39 -0.44 -0.69 0.00 0.00 174.62 173.84 1r0a s SER 118 N -0.05 6.17 -0.22 3.53 0.01 -1.26 -0.74 113.70 121.15 1r0a s SER 118 Ca -0.02 -0.58 -0.09 0.00 1.31 0.00 0.00 55.95 56.57 1r0a s SER 118 Cb -0.02 -2.20 -0.05 0.00 0.21 0.00 0.00 66.02 63.96 1r0a s SER 118 CO 0.00 -0.49 0.12 -0.69 0.41 0.00 0.00 173.24 172.60 1r0a s VAL 119 N 2.03 5.12 -0.12 3.43 1.01 -0.16 -3.60 120.40 128.11 1r0a s VAL 119 Ca 0.11 0.09 0.03 0.00 0.00 0.00 0.00 61.98 62.21 1r0a s VAL 119 Cb -0.17 -3.36 -0.00 0.00 0.00 0.00 0.00 36.38 32.85 1r0a s VAL 119 CO 0.12 0.39 -0.21 -0.89 0.00 0.00 0.00 175.10 174.52 1r0a s THR 120 N 0.79 2.28 -0.42 3.92 2.01 0.82 -1.11 115.64 123.93 1r0a s THR 120 Ca 0.06 -0.93 -0.12 0.00 0.31 0.00 0.00 61.69 61.01 1r0a s THR 120 Cb -0.13 -1.90 0.05 0.00 0.01 0.00 0.00 72.50 70.53 1r0a s THR 120 CO 0.02 0.55 0.28 -0.69 -0.69 0.00 0.00 174.62 174.09 1r0a s VAL 121 N 0.50 4.71 -0.24 3.82 1.01 -1.26 0.17 120.40 129.11 1r0a s VAL 121 Ca -0.14 -1.06 -0.16 0.00 0.00 0.00 0.00 61.98 60.63 1r0a s VAL 121 Cb -0.17 -3.75 0.07 0.00 0.00 0.00 0.00 36.38 32.53 1r0a s VAL 121 CO 0.05 -0.42 0.61 -0.55 0.00 0.00 0.00 175.10 174.80 1r0a s SER 122 N 2.00 -0.77 0.00 3.32 0.15 -0.92 -4.49 113.70 113.00 1r0a s SER 122 Ca 0.03 1.31 0.26 0.00 0.70 0.00 0.00 55.95 58.25 1r0a s SER 122 Cb -0.22 1.22 1.41 0.00 -1.71 0.00 0.00 66.02 66.72 1r0a s SER 122 CO 0.06 -0.22 1.88 -1.54 1.20 0.00 0.00 173.24 174.62 1r0a n SER 123 N 3.84 0.00 -4.57 5.45 3.41 -1.26 -4.43 113.62 116.07 1r0a n SER 123 Ca -0.19 -0.40 -0.35 0.00 -0.26 0.00 0.00 58.87 57.66 1r0a n SER 123 Cb 0.57 -0.16 0.09 0.00 -0.26 0.00 0.00 64.21 64.45 1r0a n SER 123 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1r0a n ALA 124 N -1.16 -0.72 -2.54 7.33 0.00 -1.26 -5.02 120.51 117.14 1r0a n ALA 124 Ca 0.15 -0.24 -0.33 0.00 0.00 0.00 0.00 53.44 53.03 1r0a n ALA 124 Cb 0.15 -2.04 -0.12 0.00 0.00 0.00 0.00 19.45 17.45 1r0a n ALA 124 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1r0a s LYS 125 N -3.26 2.57 -0.29 0.00 1.02 -1.26 -5.05 119.74 113.47 1r0a s LYS 125 Ca 0.70 -0.67 -0.38 0.00 0.02 0.00 0.00 55.97 55.64 1r0a s LYS 125 Cb -0.33 -2.47 -0.14 0.00 -0.52 0.00 0.00 37.83 34.37 1r0a s LYS 125 CO 0.53 0.63 1.95 -2.37 -0.92 0.00 0.00 175.35 175.17 1r0a n THR 126 N 2.03 0.29 -4.60 2.17 5.66 -1.26 -4.75 114.28 113.83 1r0a n THR 126 Ca -0.17 -0.14 -0.25 0.00 -3.05 0.00 0.00 64.05 60.45 1r0a n THR 126 Cb 0.53 -1.44 -0.17 0.00 -1.55 0.00 0.00 70.33 67.70 1r0a n THR 126 CO 0.00 0.00 0.00 -0.89 -3.05 0.00 0.00 175.07 171.13 1r0a s THR 127 N 5.16 1.15 0.38 1.09 2.01 0.12 -4.94 115.64 120.61 1r0a s THR 127 Ca 1.03 -0.49 -0.25 0.00 0.31 0.00 0.00 61.69 62.29 1r0a s THR 127 Cb -0.96 -1.05 -0.09 0.00 0.01 0.00 0.00 72.50 70.41 1r0a s THR 127 CO 0.58 0.36 1.08 -2.16 -0.69 0.00 0.00 174.62 173.79 1r0a s PRO 128 N 0.66 4.22 0.54 4.92 0.04 -1.26 -0.39 135.00 143.73 1r0a s PRO 128 Ca -0.15 1.63 -0.20 0.00 0.04 0.00 0.00 61.00 62.33 1r0a s PRO 128 Cb -0.16 -2.69 -0.06 0.00 0.04 0.00 0.00 34.50 31.64 1r0a s PRO 128 CO 0.04 -0.12 1.14 -1.25 0.04 0.00 0.00 177.00 176.85 1r0a s PRO 129 N -2.26 3.38 -0.33 0.56 0.04 -1.26 -4.65 135.00 130.48 1r0a s PRO 129 Ca 0.55 1.65 -0.11 0.00 0.04 0.00 0.00 61.00 63.13 1r0a s PRO 129 Cb -0.26 -2.05 -0.01 0.00 0.04 0.00 0.00 34.50 32.22 1r0a s PRO 129 CO 0.32 -0.84 0.20 -1.12 0.04 0.00 0.00 177.00 175.61 1r0a s SER 130 N -1.70 5.84 -0.23 6.66 0.01 -0.69 -4.93 113.70 118.66 1r0a s SER 130 Ca 0.72 -0.47 -0.11 0.00 1.31 0.00 0.00 55.95 57.40 1r0a s SER 130 Cb -0.25 -2.08 -0.05 0.00 0.21 0.00 0.00 66.02 63.85 1r0a s SER 130 CO 0.28 -0.22 0.18 -0.69 0.41 0.00 0.00 173.24 173.20 1r0a s VAL 131 N 1.67 5.35 -0.07 3.43 1.01 -1.26 -2.13 120.40 128.40 1r0a s VAL 131 Ca 0.05 0.23 0.04 0.00 0.00 0.00 0.00 61.98 62.31 1r0a s VAL 131 Cb -0.17 -3.52 0.00 0.00 0.00 0.00 0.00 36.38 32.69 1r0a s VAL 131 CO 0.09 0.35 -0.20 -0.31 0.00 0.00 0.00 175.10 175.03 1r0a s TYR 132 N 0.97 2.09 1.04 5.22 2.02 -0.93 -4.99 117.35 122.77 1r0a s TYR 132 Ca 0.09 -0.76 -0.13 0.00 -0.37 0.00 0.00 57.07 55.90 1r0a s TYR 132 Cb -0.13 -1.42 0.21 0.00 -0.40 0.00 0.00 41.96 40.22 1r0a s TYR 132 CO 0.04 -0.30 1.09 -1.25 -1.57 0.00 0.00 175.55 173.56 1r0a s PRO 133 N 0.29 0.08 -0.25 -1.71 0.04 -1.26 -1.11 135.00 131.08 1r0a s PRO 133 Ca -0.13 0.43 -0.03 0.00 0.04 0.00 0.00 61.00 61.32 1r0a s PRO 133 Cb -0.16 -1.70 0.10 0.00 0.04 0.00 0.00 34.50 32.79 1r0a s PRO 133 CO 0.06 -2.95 0.20 -0.51 0.04 0.00 0.00 177.00 173.84 1r0a s LEU 134 N -6.58 0.10 -0.07 -3.56 1.43 -0.51 -4.75 118.68 104.75 1r0a s LEU 134 Ca 0.66 -0.75 0.03 0.00 -1.03 0.00 0.00 54.13 53.04 1r0a s LEU 134 Cb -0.18 0.13 0.01 0.00 0.03 0.00 0.00 46.19 46.18 1r0a s LEU 134 CO 0.58 -0.38 -0.16 0.00 0.23 0.00 0.00 176.35 176.62 1r0a s ALA 135 N 2.25 1.52 0.63 4.21 0.00 -1.26 -1.33 121.76 127.78 1r0a s ALA 135 Ca 0.08 -0.60 -0.17 0.00 0.00 0.00 0.00 51.96 51.26 1r0a s ALA 135 Cb -0.15 -0.60 -0.06 0.00 0.00 0.00 0.00 23.12 22.30 1r0a s ALA 135 CO -0.26 0.19 0.63 -0.35 0.00 0.00 0.00 175.76 175.98 1r0a n PRO 136 N 3.58 0.52 0.00 0.00 -0.04 -1.26 -4.50 135.00 133.30 1r0a n PRO 136 Ca -0.21 0.21 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 1r0a n PRO 136 Cb 0.52 -1.85 0.00 0.00 -0.04 0.00 0.00 33.50 32.13 1r0a n PRO 136 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1r0a n GLY 137 N 1.62 0.18 0.37 0.55 0.00 -1.26 -3.81 105.19 102.84 1r0a n GLY 137 Ca 0.12 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.19 1r0a n GLY 137 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1r0a h SER 138 N 0.00 0.91 -0.64 1.61 0.02 -1.94 -3.24 113.55 110.28 1r0a h SER 138 Ca 0.00 0.02 -0.73 0.00 -0.84 0.00 0.00 61.79 60.24 1r0a h SER 138 Cb 0.00 -0.18 -0.09 0.00 0.14 0.00 0.00 62.40 62.27 1r0a h SER 138 CO 0.00 0.56 2.68 0.00 -1.14 0.00 0.00 176.83 178.94 1r0a n ALA 139 N -2.39 5.68 -1.36 3.77 0.00 -1.26 -4.99 120.51 119.96 1r0a n ALA 139 Ca 0.15 -4.05 -0.38 0.00 0.00 0.00 0.00 53.44 49.15 1r0a n ALA 139 Cb 0.24 -3.25 0.03 0.00 0.00 0.00 0.00 19.45 16.46 1r0a n ALA 139 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1r0a n ALA 140 N 4.76 -2.06 -1.58 0.00 0.00 -1.23 -4.85 120.51 115.56 1r0a n ALA 140 Ca 0.49 -0.04 -0.41 0.00 0.00 0.00 0.00 53.44 53.48 1r0a n ALA 140 Cb 0.36 -1.63 0.02 0.00 0.00 0.00 0.00 19.45 18.20 1r0a n ALA 140 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1r0a n GLN 141 N 0.67 1.11 -4.46 0.00 10.64 -1.26 -5.04 117.38 119.04 1r0a n GLN 141 Ca 0.10 0.40 -0.23 0.00 -1.83 0.00 0.00 57.00 55.45 1r0a n GLN 141 Cb 0.47 -1.96 -0.10 0.00 -0.86 0.00 0.00 30.24 27.79 1r0a n GLN 141 CO 0.00 0.00 0.00 0.99 -1.83 0.00 0.00 177.06 176.22 1r0a s THR 142 N -1.37 2.00 0.00 -0.39 2.01 -1.26 -5.03 115.64 111.60 1r0a s THR 142 Ca 0.66 -2.22 -0.00 0.00 0.31 0.00 0.00 61.69 60.43 1r0a s THR 142 Cb -0.53 -2.41 -0.01 0.00 0.01 0.00 0.00 72.50 69.55 1r0a s THR 142 CO 0.55 -0.34 0.79 0.59 -0.69 0.00 0.00 174.62 175.52 1r0a n ASN 143 N -0.62 1.72 0.00 3.53 3.02 -1.26 -4.52 115.26 117.14 1r0a n ASN 143 Ca -0.06 -1.51 0.00 0.00 -0.03 0.00 0.00 54.58 52.98 1r0a n ASN 143 Cb 0.62 -0.38 0.00 0.00 -0.61 0.00 0.00 39.78 39.41 1r0a n ASN 143 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 1r0a n SER 144 N 2.00 0.00 -4.45 6.41 3.41 -1.26 -4.91 113.62 114.83 1r0a n SER 144 Ca 0.02 0.00 -0.32 0.00 -0.26 0.00 0.00 58.87 58.31 1r0a n SER 144 Cb 0.18 0.00 -0.14 0.00 -0.26 0.00 0.00 64.21 64.00 1r0a n SER 144 CO 0.00 0.00 0.00 -0.04 -0.16 0.00 0.00 175.04 174.84 1r0a s MET 145 N 3.71 2.46 0.19 4.33 -1.94 -1.26 0.24 119.30 127.02 1r0a s MET 145 Ca 0.00 -0.73 0.10 0.00 -1.71 0.00 0.00 55.69 53.35 1r0a s MET 145 Cb 0.00 -2.33 -0.04 0.00 2.01 0.00 0.00 34.83 34.47 1r0a s MET 145 CO 0.00 0.60 -0.17 0.54 -0.01 0.00 0.00 175.02 175.98 1r0a s VAL 146 N -0.68 2.76 -0.21 -6.03 0.11 -0.45 -4.78 120.40 111.12 1r0a s VAL 146 Ca 0.11 -1.84 -0.00 0.00 -2.93 0.00 0.00 61.98 57.31 1r0a s VAL 146 Cb -0.11 -2.35 0.05 0.00 -1.53 0.00 0.00 36.38 32.45 1r0a s VAL 146 CO 0.00 -0.11 -0.04 -0.89 -3.33 0.00 0.00 175.10 170.73 1r0a s THR 147 N -1.68 1.31 0.28 5.04 2.01 -1.26 -1.64 115.64 119.71 1r0a s THR 147 Ca 0.23 -0.99 0.02 0.00 0.31 0.00 0.00 61.69 61.25 1r0a s THR 147 Cb -0.08 -1.58 -0.03 0.00 0.01 0.00 0.00 72.50 70.81 1r0a s THR 147 CO 0.12 -0.05 0.46 -0.76 -0.69 0.00 0.00 174.62 173.70 1r0a s LEU 148 N 1.51 4.15 0.32 4.42 1.43 0.03 -4.69 118.68 125.86 1r0a s LEU 148 Ca -0.03 0.32 0.06 0.00 -1.03 0.00 0.00 54.13 53.45 1r0a s LEU 148 Cb -0.18 -3.14 -0.03 0.00 0.03 0.00 0.00 46.19 42.87 1r0a s LEU 148 CO -0.07 -0.17 0.25 -0.83 0.23 0.00 0.00 176.35 175.76 1r0a s GLY 149 N -3.85 2.27 -0.08 -3.19 0.00 -0.44 -0.60 107.32 101.43 1r0a s GLY 149 Ca 0.38 -1.98 -0.10 0.00 0.00 0.00 0.00 44.72 43.02 1r0a s GLY 149 CO 0.32 -1.49 0.27 0.00 0.00 0.00 0.00 173.10 172.20 1r0a s LEU 151 N -0.19 3.29 -0.50 0.00 2.96 -0.26 -1.62 118.68 122.35 1r0a s LEU 151 Ca -0.03 -1.35 -0.16 0.00 -0.22 0.00 0.00 54.13 52.37 1r0a s LEU 151 Cb -0.03 -1.49 0.09 0.00 0.50 0.00 0.00 46.19 45.26 1r0a s LEU 151 CO 0.01 -0.19 0.45 -0.69 -1.32 0.00 0.00 176.35 174.61 1r0a s VAL 152 N 1.15 5.18 0.00 1.68 1.01 0.40 -2.19 120.40 127.63 1r0a s VAL 152 Ca -0.08 -1.12 0.04 0.00 0.00 0.00 0.00 61.98 60.82 1r0a s VAL 152 Cb -0.20 -4.21 -0.03 0.00 0.00 0.00 0.00 36.38 31.94 1r0a s VAL 152 CO -0.05 -0.69 -0.11 -0.75 0.00 0.00 0.00 175.10 173.50 1r0a s LYS 153 N 1.75 2.43 -1.14 2.72 2.20 -0.91 0.19 119.74 126.99 1r0a s LYS 153 Ca 0.05 -0.77 -0.16 0.00 -0.36 0.00 0.00 55.97 54.72 1r0a s LYS 153 Cb -0.25 -2.41 -0.02 0.00 -1.51 0.00 0.00 37.83 33.64 1r0a s LYS 153 CO 0.06 0.59 0.80 0.41 -0.36 0.00 0.00 175.35 176.85 1r0a n GLY 154 N 1.72 -0.95 3.66 5.54 0.00 0.47 -1.71 105.19 113.92 1r0a n GLY 154 Ca -0.16 0.45 -0.26 0.00 0.00 0.00 0.00 46.02 46.04 1r0a n GLY 154 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1r0a s TYR 155 N -3.48 2.55 -0.29 1.61 -0.85 -0.45 -4.65 117.35 111.80 1r0a s TYR 155 Ca 0.43 -0.61 -0.21 0.00 -0.52 0.00 0.00 57.07 56.16 1r0a s TYR 155 Cb -0.13 -1.80 0.14 0.00 0.38 0.00 0.00 41.96 40.54 1r0a s TYR 155 CO 0.84 0.36 1.04 0.12 -1.52 0.00 0.00 175.55 176.38 1r0a s PHE 156 N -2.64 -0.48 0.00 -3.49 5.36 0.48 0.17 117.98 117.37 1r0a s PHE 156 Ca 0.37 1.06 0.00 0.00 -0.96 0.00 0.00 56.93 57.41 1r0a s PHE 156 Cb 0.06 0.36 0.00 0.00 -0.34 0.00 0.00 43.02 43.10 1r0a s PHE 156 CO 0.20 -0.24 0.00 -0.35 -1.46 0.00 0.00 175.22 173.37 1r0a n PRO 157 N 2.87 1.86 -2.40 10.12 -0.04 -1.26 0.13 135.00 146.28 1r0a n PRO 157 Ca -0.15 0.00 -0.29 0.00 -0.04 0.00 0.00 63.50 63.02 1r0a n PRO 157 Cb 0.57 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 34.03 1r0a n PRO 157 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 1r0a s GLU 158 N 0.75 3.57 0.26 0.54 2.02 -1.26 -4.78 118.70 119.79 1r0a s GLU 158 Ca 0.00 0.38 0.03 0.00 0.02 0.00 0.00 54.97 55.40 1r0a s GLU 158 Cb 0.00 -2.28 0.03 0.00 0.10 0.00 0.00 34.13 31.98 1r0a s GLU 158 CO 0.00 -0.32 0.24 -0.35 0.02 0.00 0.00 175.26 174.86 1r0a n PRO 159 N -2.39 1.03 -4.19 0.39 -0.04 -1.26 -4.91 135.00 123.63 1r0a n PRO 159 Ca 0.02 -1.54 -0.19 0.00 -0.04 0.00 0.00 63.50 61.76 1r0a n PRO 159 Cb 0.55 0.08 -0.12 0.00 -0.04 0.00 0.00 33.50 33.97 1r0a n PRO 159 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 1r0a s VAL 160 N -1.07 1.17 -0.25 0.52 -7.23 -1.26 -4.30 120.40 107.99 1r0a s VAL 160 Ca 0.19 -1.32 -0.01 0.00 -1.81 0.00 0.00 61.98 59.02 1r0a s VAL 160 Cb -0.01 -1.12 0.03 0.00 0.56 0.00 0.00 36.38 35.84 1r0a s VAL 160 CO 0.12 -0.20 -0.08 -0.89 -0.31 0.00 0.00 175.10 173.74 1r0a s THR 161 N -1.25 2.73 -0.18 5.32 2.01 0.55 -4.94 115.64 119.87 1r0a s THR 161 Ca -0.01 -1.10 -0.02 0.00 0.31 0.00 0.00 61.69 60.88 1r0a s THR 161 Cb -0.10 -2.39 -0.00 0.00 0.01 0.00 0.00 72.50 70.01 1r0a s THR 161 CO 0.02 0.19 -0.10 -0.69 -0.69 0.00 0.00 174.62 173.35 1r0a s VAL 162 N 1.29 2.98 0.09 3.82 1.01 -1.26 -0.98 120.40 127.36 1r0a s VAL 162 Ca -0.01 -0.64 0.02 0.00 0.00 0.00 0.00 61.98 61.35 1r0a s VAL 162 Cb -0.17 -2.31 -0.04 0.00 0.00 0.00 0.00 36.38 33.87 1r0a s VAL 162 CO -0.05 0.48 -0.08 0.42 0.00 0.00 0.00 175.10 175.87 1r0a s THR 163 N 1.09 0.75 -0.14 3.92 -4.23 -0.54 -5.00 115.64 111.49 1r0a s THR 163 Ca 0.00 -1.75 -0.02 0.00 -1.18 0.00 0.00 61.69 58.75 1r0a s THR 163 Cb -0.15 -1.45 -0.02 0.00 1.34 0.00 0.00 72.50 72.22 1r0a s THR 163 CO -0.02 -0.72 -0.07 0.26 -0.54 0.00 0.00 174.62 173.52 1r0a s TRP 164 N -3.00 2.94 -1.14 3.99 0.52 -1.26 0.27 118.94 121.27 1r0a s TRP 164 Ca 0.07 -0.41 -0.13 0.00 0.02 0.00 0.00 56.10 55.65 1r0a s TRP 164 Cb 0.01 -1.90 -0.03 0.00 -1.15 0.00 0.00 33.47 30.40 1r0a s TRP 164 CO -0.03 -0.08 0.81 0.09 0.02 0.00 0.00 176.95 177.76 1r0a n ASN 165 N 3.47 -5.04 -4.36 2.95 3.02 0.38 -1.68 115.26 114.01 1r0a n ASN 165 Ca -0.18 -0.90 -0.39 0.00 -0.03 0.00 0.00 54.58 53.09 1r0a n ASN 165 Cb 0.53 -4.02 -0.08 0.00 -0.61 0.00 0.00 39.78 35.60 1r0a n ASN 165 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 1r0a n SER 166 N -2.90 -1.30 0.00 6.41 7.64 -1.26 0.21 113.62 122.42 1r0a n SER 166 Ca -0.12 -1.19 0.00 0.00 1.01 0.00 0.00 58.87 58.58 1r0a n SER 166 Cb 0.61 -1.51 0.00 0.00 -1.01 0.00 0.00 64.21 62.30 1r0a n SER 166 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1r0a n GLY 167 N -1.27 1.24 0.27 0.23 0.00 -1.03 -4.94 105.19 99.69 1r0a n GLY 167 Ca 0.04 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.00 1r0a n GLY 167 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1r0a h SER 168 N 0.00 0.82 -3.14 1.61 0.02 -0.06 -3.41 113.55 109.40 1r0a h SER 168 Ca 0.00 -0.11 -0.61 0.00 -0.84 0.00 0.00 61.79 60.23 1r0a h SER 168 Cb 0.00 -0.21 -0.09 0.00 0.14 0.00 0.00 62.40 62.24 1r0a h SER 168 CO 0.00 0.70 -0.38 -0.76 -1.14 0.00 0.00 176.83 175.25 1r0a s LEU 169 N -9.91 4.29 0.00 5.07 1.02 -0.67 -4.90 118.68 113.57 1r0a s LEU 169 Ca -0.13 0.48 0.00 0.00 0.02 0.00 0.00 54.13 54.50 1r0a s LEU 169 Cb 0.14 -2.27 0.00 0.00 0.02 0.00 0.00 46.19 44.07 1r0a s LEU 169 CO 0.79 0.20 0.03 -1.54 0.02 0.00 0.00 176.35 175.84 1r0a n SER 170 N 3.08 0.00 -0.07 2.29 3.41 -1.26 -4.11 113.62 116.97 1r0a n SER 170 Ca -0.15 -1.00 -0.22 0.00 -0.26 0.00 0.00 58.87 57.24 1r0a n SER 170 Cb 0.52 0.00 -0.12 0.00 -0.26 0.00 0.00 64.21 64.35 1r0a n SER 170 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1r0a n SER 171 N 0.00 1.97 -2.21 4.04 7.64 -1.26 -4.34 113.62 119.46 1r0a n SER 171 Ca 0.00 0.33 -0.31 0.00 1.01 0.00 0.00 58.87 59.91 1r0a n SER 171 Cb 0.34 -0.92 0.08 0.00 -1.01 0.00 0.00 64.21 62.70 1r0a n SER 171 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1r0a n GLY 172 N 1.64 5.84 3.82 0.23 0.00 -1.26 -4.97 105.19 110.49 1r0a n GLY 172 Ca -0.33 -2.24 -0.33 0.00 0.00 0.00 0.00 46.02 43.11 1r0a n GLY 172 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1r0a s VAL 173 N -4.60 4.96 -0.20 1.61 1.01 -1.25 0.01 120.40 121.94 1r0a s VAL 173 Ca 0.61 -0.28 -0.04 0.00 0.00 0.00 0.00 61.98 62.27 1r0a s VAL 173 Cb 0.48 -3.26 0.09 0.00 0.00 0.00 0.00 36.38 33.69 1r0a s VAL 173 CO 0.01 0.38 0.22 -1.00 0.00 0.00 0.00 175.10 174.71 1r0a s HIS 174 N -1.20 -0.28 -0.32 5.22 3.76 0.16 -4.94 115.29 117.69 1r0a s HIS 174 Ca 0.23 0.24 -0.07 0.00 -0.15 0.00 0.00 55.06 55.31 1r0a s HIS 174 Cb -0.12 -0.35 0.02 0.00 1.11 0.00 0.00 32.58 33.24 1r0a s HIS 174 CO 0.14 -0.59 0.11 0.99 -0.85 0.00 0.00 174.74 174.53 1r0a s THR 175 N 2.33 4.01 0.43 1.30 2.01 -1.26 0.19 115.64 124.64 1r0a s THR 175 Ca 0.07 -0.87 -0.20 0.00 0.31 0.00 0.00 61.69 60.99 1r0a s THR 175 Cb -0.16 -3.17 -0.11 0.00 0.01 0.00 0.00 72.50 69.08 1r0a s THR 175 CO -0.12 -0.06 0.94 -0.36 -0.69 0.00 0.00 174.62 174.33 1r0a s PHE 176 N 1.48 3.32 0.43 4.92 0.40 0.71 -4.96 117.98 124.27 1r0a s PHE 176 Ca 0.01 1.58 -0.26 0.00 -0.60 0.00 0.00 56.93 57.66 1r0a s PHE 176 Cb -0.18 -2.83 -0.09 0.00 0.51 0.00 0.00 43.02 40.43 1r0a s PHE 176 CO 0.03 -0.12 1.41 -1.25 0.70 0.00 0.00 175.22 175.99 1r0a s PRO 177 N -3.23 3.81 1.01 0.24 0.04 -1.26 -4.34 135.00 131.26 1r0a s PRO 177 Ca 0.61 2.38 -0.13 0.00 0.04 0.00 0.00 61.00 63.91 1r0a s PRO 177 Cb -0.09 -2.72 0.19 0.00 0.04 0.00 0.00 34.50 31.92 1r0a s PRO 177 CO 0.14 -0.71 1.10 0.00 0.04 0.00 0.00 177.00 177.58 1r0a s ALA 178 N -1.20 0.95 0.07 8.56 0.00 -1.26 -4.86 121.76 124.01 1r0a s ALA 178 Ca 0.59 -0.41 -0.03 0.00 0.00 0.00 0.00 51.96 52.11 1r0a s ALA 178 Cb -0.43 -3.10 -0.03 0.00 0.00 0.00 0.00 23.12 19.56 1r0a s ALA 178 CO 0.56 -2.86 0.03 0.14 0.00 0.00 0.00 175.76 173.63 1r0a s VAL 179 N -3.00 0.19 -0.00 0.00 -7.23 -0.66 -4.93 120.40 104.78 1r0a s VAL 179 Ca 0.65 -1.66 -0.19 0.00 -1.81 0.00 0.00 61.98 58.97 1r0a s VAL 179 Cb -0.18 -1.52 -0.06 0.00 0.56 0.00 0.00 36.38 35.18 1r0a s VAL 179 CO 0.57 -0.87 0.56 -0.76 -0.31 0.00 0.00 175.10 174.30 1r0a s LEU 180 N -2.92 4.43 -0.24 1.32 1.43 -1.26 -1.63 118.68 119.82 1r0a s LEU 180 Ca 0.08 1.13 -0.03 0.00 -1.03 0.00 0.00 54.13 54.28 1r0a s LEU 180 Cb 0.07 -2.86 0.12 0.00 0.03 0.00 0.00 46.19 43.55 1r0a s LEU 180 CO -0.09 0.15 0.32 -1.58 0.23 0.00 0.00 176.35 175.38 1r0a s GLN 181 N -0.38 0.30 -1.23 1.70 0.74 0.33 -4.88 119.66 116.25 1r0a s GLN 181 Ca 0.29 0.37 -0.04 0.00 0.05 0.00 0.00 55.36 56.03 1r0a s GLN 181 Cb -0.18 -0.72 -0.01 0.00 1.10 0.00 0.00 33.01 33.20 1r0a s GLN 181 CO 0.16 -0.69 0.78 0.43 -0.55 0.00 0.00 175.29 175.42 1r0a n SER 182 N 5.35 -2.63 -1.73 6.67 7.64 -1.26 -1.53 113.62 126.12 1r0a n SER 182 Ca -0.04 -0.81 -0.14 0.00 1.01 0.00 0.00 58.87 58.89 1r0a n SER 182 Cb 0.50 -4.23 -0.04 0.00 -1.01 0.00 0.00 64.21 59.42 1r0a n SER 182 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 1r0a n ASP 183 N -3.03 -3.87 -4.30 6.43 8.00 -1.26 -4.94 116.55 113.58 1r0a n ASP 183 Ca -0.24 0.28 -0.18 0.00 0.71 0.00 0.00 54.79 55.37 1r0a n ASP 183 Cb 0.66 -3.48 -0.10 0.00 -0.02 0.00 0.00 41.12 38.18 1r0a n ASP 183 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1r0a s LEU 184 N -4.43 2.50 -0.07 0.64 1.43 -0.58 -4.75 118.68 113.42 1r0a s LEU 184 Ca 0.00 -0.95 -0.06 0.00 -1.03 0.00 0.00 54.13 52.09 1r0a s LEU 184 Cb 0.00 -0.60 -0.04 0.00 0.03 0.00 0.00 46.19 45.58 1r0a s LEU 184 CO 0.00 -0.18 0.18 -0.31 0.23 0.00 0.00 176.35 176.27 1r0a s TYR 185 N -2.74 3.59 -0.04 0.29 2.02 0.13 -0.51 117.35 120.09 1r0a s TYR 185 Ca 0.17 0.51 -0.00 0.00 -0.37 0.00 0.00 57.07 57.38 1r0a s TYR 185 Cb -0.02 -1.93 0.03 0.00 -0.40 0.00 0.00 41.96 39.64 1r0a s TYR 185 CO 0.05 0.70 0.01 0.99 -1.57 0.00 0.00 175.55 175.72 1r0a s THR 186 N -1.14 0.18 0.14 -0.71 2.01 -0.65 -0.40 115.64 115.07 1r0a s THR 186 Ca 0.20 0.12 -0.12 0.00 0.31 0.00 0.00 61.69 62.20 1r0a s THR 186 Cb -0.13 -0.30 0.01 0.00 0.01 0.00 0.00 72.50 72.10 1r0a s THR 186 CO 0.10 0.17 0.34 -1.48 -0.69 0.00 0.00 174.62 173.05 1r0a s LEU 187 N 1.27 0.76 0.10 4.42 -0.00 0.13 -1.65 118.68 123.71 1r0a s LEU 187 Ca -0.06 -0.58 0.03 0.00 -0.00 0.00 0.00 54.13 53.52 1r0a s LEU 187 Cb -0.13 1.51 -0.04 0.00 -0.00 0.00 0.00 46.19 47.53 1r0a s LEU 187 CO -0.02 -0.87 -0.09 -0.94 -0.00 0.00 0.00 176.35 174.43 1r0a s SER 188 N -2.88 1.44 0.05 1.48 1.04 -1.26 0.15 113.70 113.73 1r0a s SER 188 Ca 0.08 -0.88 0.05 0.00 0.48 0.00 0.00 55.95 55.69 1r0a s SER 188 Cb 0.03 0.02 -0.03 0.00 0.10 0.00 0.00 66.02 66.14 1r0a s SER 188 CO -0.07 -0.31 -0.15 -0.55 0.98 0.00 0.00 173.24 173.14 1r0a s SER 189 N -2.66 1.79 -0.00 7.02 0.15 -0.64 -0.21 113.70 119.15 1r0a s SER 189 Ca 0.08 -0.53 0.05 0.00 0.70 0.00 0.00 55.95 56.25 1r0a s SER 189 Cb -0.01 -0.10 -0.01 0.00 -1.71 0.00 0.00 66.02 64.19 1r0a s SER 189 CO -0.01 0.01 -0.14 -0.94 1.20 0.00 0.00 173.24 173.36 1r0a s SER 190 N -1.38 1.69 -0.01 5.45 1.04 0.50 -1.26 113.70 119.73 1r0a s SER 190 Ca 0.01 -0.30 0.06 0.00 0.48 0.00 0.00 55.95 56.20 1r0a s SER 190 Cb -0.09 -0.17 -0.02 0.00 0.10 0.00 0.00 66.02 65.85 1r0a s SER 190 CO 0.02 0.15 -0.19 0.54 0.98 0.00 0.00 173.24 174.73 1r0a s VAL 191 N -0.44 1.53 -0.31 5.02 0.11 0.23 0.40 120.40 126.93 1r0a s VAL 191 Ca 0.05 -0.86 0.02 0.00 -2.93 0.00 0.00 61.98 58.26 1r0a s VAL 191 Cb -0.06 -1.27 0.09 0.00 -1.53 0.00 0.00 36.38 33.61 1r0a s VAL 191 CO -0.00 0.40 0.04 -0.89 -3.33 0.00 0.00 175.10 171.32 1r0a s THR 192 N -0.49 1.82 0.07 5.04 2.01 0.10 -0.79 115.64 123.40 1r0a s THR 192 Ca 0.07 -1.92 0.07 0.00 0.31 0.00 0.00 61.69 60.23 1r0a s THR 192 Cb -0.08 -2.29 -0.04 0.00 0.01 0.00 0.00 72.50 70.11 1r0a s THR 192 CO -0.00 -0.52 -0.16 0.68 -0.69 0.00 0.00 174.62 173.93 1r0a s VAL 193 N 1.16 2.96 0.41 3.82 -7.23 -0.65 -4.40 120.40 116.47 1r0a s VAL 193 Ca 0.07 -1.24 -0.25 0.00 -1.81 0.00 0.00 61.98 58.75 1r0a s VAL 193 Cb -0.19 -2.30 -0.10 0.00 0.56 0.00 0.00 36.38 34.35 1r0a s VAL 193 CO -0.12 0.25 1.19 -2.65 -0.31 0.00 0.00 175.10 173.46 1r0a n PRO 194 N 1.24 1.75 0.13 4.82 -0.02 -1.26 -1.34 135.00 140.32 1r0a n PRO 194 Ca -0.16 0.62 0.17 0.00 -2.02 0.00 0.00 63.50 62.11 1r0a n PRO 194 Cb 0.52 -2.26 0.73 0.00 -0.02 0.00 0.00 33.50 32.47 1r0a n PRO 194 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 1r0a h SER 195 N 1.95 0.00 0.28 2.55 4.64 -0.48 -1.01 113.55 121.48 1r0a h SER 195 Ca -0.46 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.86 1r0a h SER 195 Cb 1.31 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.40 1r0a h SER 195 CO 0.59 0.00 0.00 -1.54 -0.87 0.00 0.00 176.83 175.01 1r0a n SER 196 N -4.19 0.00 -0.11 4.97 3.41 -1.26 -3.07 113.62 113.36 1r0a n SER 196 Ca 0.04 0.19 -0.15 0.00 -0.26 0.00 0.00 58.87 58.69 1r0a n SER 196 Cb 0.40 -0.33 -0.12 0.00 -0.26 0.00 0.00 64.21 63.90 1r0a n SER 196 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29 1r0a n THR 197 N -1.33 1.35 -5.11 6.66 -1.04 -0.38 -4.78 114.28 109.65 1r0a n THR 197 Ca 0.05 -0.56 -0.32 0.00 -2.04 0.00 0.00 64.05 61.18 1r0a n THR 197 Cb 0.11 -1.22 -0.15 0.00 -1.82 0.00 0.00 70.33 67.26 1r0a n THR 197 CO 0.00 0.00 0.00 0.86 -0.64 0.00 0.00 175.07 175.29 1r0a s TRP 198 N -2.47 2.52 -2.27 -1.42 -0.00 -1.18 0.06 118.94 114.19 1r0a s TRP 198 Ca -0.29 -0.40 0.29 0.00 -0.00 0.00 0.00 56.10 55.71 1r0a s TRP 198 Cb 0.08 -1.59 1.33 0.00 -0.00 0.00 0.00 33.47 33.28 1r0a s TRP 198 CO 0.58 0.00 1.90 -2.30 -0.00 0.00 0.00 176.95 177.14 1r0a n PRO 199 N 2.56 1.38 0.20 5.86 -0.02 -1.26 -4.76 135.00 138.95 1r0a n PRO 199 Ca -0.17 -0.60 0.06 0.00 -2.02 0.00 0.00 63.50 60.77 1r0a n PRO 199 Cb 0.52 -1.49 0.34 0.00 -0.02 0.00 0.00 33.50 32.85 1r0a n PRO 199 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 1r0a h SER 200 N 1.47 0.00 -2.13 2.55 4.64 -1.85 -3.32 113.55 114.91 1r0a h SER 200 Ca 0.00 0.00 -0.21 0.00 -0.47 0.00 0.00 61.79 61.11 1r0a h SER 200 Cb 0.33 0.00 -0.32 0.00 -0.31 0.00 0.00 62.40 62.10 1r0a h SER 200 CO 0.00 0.00 -0.54 -1.61 -0.87 0.00 0.00 176.83 173.81 1r0a s GLU 201 N -3.41 0.29 0.07 4.77 2.02 0.11 -5.05 118.70 117.50 1r0a s GLU 201 Ca -0.01 0.41 -0.28 0.00 0.02 0.00 0.00 54.97 55.11 1r0a s GLU 201 Cb 0.04 -0.76 -0.15 0.00 0.10 0.00 0.00 34.13 33.36 1r0a s GLU 201 CO 0.11 -0.65 0.66 0.25 0.02 0.00 0.00 175.26 175.65 1r0a n THR 202 N 5.35 0.72 -3.86 3.63 -2.24 -1.25 -4.47 114.28 112.16 1r0a n THR 202 Ca -0.04 -0.18 -0.30 0.00 -2.27 0.00 0.00 64.05 61.26 1r0a n THR 202 Cb 0.50 0.00 -0.15 0.00 -2.10 0.00 0.00 70.33 68.58 1r0a n THR 202 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 1r0a s VAL 203 N -0.36 1.37 0.04 2.28 1.01 -1.26 -5.02 120.40 118.45 1r0a s VAL 203 Ca 0.63 -1.48 0.03 0.00 0.00 0.00 0.00 61.98 61.17 1r0a s VAL 203 Cb -0.90 -1.88 -0.04 0.00 0.00 0.00 0.00 36.38 33.57 1r0a s VAL 203 CO 0.45 -0.43 -0.01 -0.89 0.00 0.00 0.00 175.10 174.23 1r0a s THR 204 N 1.41 4.05 -0.21 3.92 2.01 -1.26 -1.36 115.64 124.20 1r0a s THR 204 Ca 0.04 -0.78 -0.07 0.00 0.31 0.00 0.00 61.69 61.19 1r0a s THR 204 Cb -0.18 -2.85 -0.03 0.00 0.01 0.00 0.00 72.50 69.44 1r0a s THR 204 CO -0.14 0.27 0.05 0.00 -0.69 0.00 0.00 174.62 174.12 1r0a s ASN 206 N 0.98 5.58 -0.19 0.00 0.01 0.14 -0.98 114.94 120.48 1r0a s ASN 206 Ca 0.03 -0.25 -0.01 0.00 -0.71 0.00 0.00 52.86 51.93 1r0a s ASN 206 Cb -0.14 -2.02 0.01 0.00 0.41 0.00 0.00 41.25 39.51 1r0a s ASN 206 CO 0.03 -0.10 -0.14 -0.69 -1.51 0.00 0.00 177.10 174.69 1r0a s VAL 207 N 1.67 2.58 -0.12 1.60 1.01 0.34 -1.47 120.40 126.01 1r0a s VAL 207 Ca 0.06 -0.76 -0.01 0.00 0.00 0.00 0.00 61.98 61.27 1r0a s VAL 207 Cb -0.16 -2.12 -0.02 0.00 0.00 0.00 0.00 36.38 34.07 1r0a s VAL 207 CO 0.07 0.50 -0.10 0.00 0.00 0.00 0.00 175.10 175.57 1r0a s ALA 208 N 1.34 2.77 -0.54 5.51 0.00 -0.15 -0.33 121.76 130.35 1r0a s ALA 208 Ca 0.05 -0.88 0.04 0.00 0.00 0.00 0.00 51.96 51.17 1r0a s ALA 208 Cb -0.14 -1.28 0.15 0.00 0.00 0.00 0.00 23.12 21.85 1r0a s ALA 208 CO -0.09 0.31 0.33 -1.58 0.00 0.00 0.00 175.76 174.74 1r0a s HIS 209 N 0.10 2.78 0.20 0.00 2.46 -0.40 -0.33 115.29 120.10 1r0a s HIS 209 Ca -0.04 -2.94 -0.23 0.00 0.47 0.00 0.00 55.06 52.32 1r0a s HIS 209 Cb -0.14 -2.35 0.11 0.00 -0.13 0.00 0.00 32.58 30.07 1r0a s HIS 209 CO 0.04 -0.70 1.55 -2.30 -2.47 0.00 0.00 174.74 170.85 1r0a n PRO 210 N 2.86 -0.32 -0.33 2.88 -0.02 -1.26 -1.05 135.00 137.76 1r0a n PRO 210 Ca 0.13 1.53 0.21 0.00 -2.02 0.00 0.00 63.50 63.34 1r0a n PRO 210 Cb 0.35 -2.26 0.42 0.00 -0.02 0.00 0.00 33.50 32.00 1r0a n PRO 210 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1r0a h ALA 211 N 1.02 1.79 -0.60 3.55 0.00 -1.91 0.40 119.26 123.52 1r0a h ALA 211 Ca 0.27 0.19 0.00 0.00 0.00 0.00 0.00 54.91 55.37 1r0a h ALA 211 Cb 0.52 0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.48 1r0a h ALA 211 CO -0.97 -0.50 0.00 -1.13 0.00 0.00 0.00 179.25 176.65 1r0a n SER 212 N -5.06 3.73 -3.98 0.00 3.41 -0.22 -4.95 113.62 106.56 1r0a n SER 212 Ca 0.29 -1.99 -0.29 0.00 -0.26 0.00 0.00 58.87 56.62 1r0a n SER 212 Cb 0.89 -0.39 -0.02 0.00 -0.26 0.00 0.00 64.21 64.42 1r0a n SER 212 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1r0a n SER 213 N 1.53 -1.15 -4.32 4.04 7.64 0.14 -4.95 113.62 116.56 1r0a n SER 213 Ca 0.22 -1.08 -0.18 0.00 1.01 0.00 0.00 58.87 58.84 1r0a n SER 213 Cb 0.61 -2.76 -0.10 0.00 -1.01 0.00 0.00 64.21 60.94 1r0a n SER 213 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 1r0a s THR 214 N -3.92 1.63 -0.16 0.44 -4.23 -1.11 -5.03 115.64 103.26 1r0a s THR 214 Ca 0.11 -2.07 -0.10 0.00 -1.18 0.00 0.00 61.69 58.45 1r0a s THR 214 Cb -0.05 -1.91 0.05 0.00 1.34 0.00 0.00 72.50 71.94 1r0a s THR 214 CO 0.91 -0.54 0.40 -0.75 -0.54 0.00 0.00 174.62 174.10 1r0a s LYS 215 N -3.36 0.40 0.01 3.99 2.47 -1.26 -1.28 119.74 120.71 1r0a s LYS 215 Ca 0.19 0.71 -0.02 0.00 -1.56 0.00 0.00 55.97 55.29 1r0a s LYS 215 Cb -0.02 0.04 -0.01 0.00 -1.46 0.00 0.00 37.83 36.37 1r0a s LYS 215 CO 0.06 -0.13 0.01 0.08 0.16 0.00 0.00 175.35 175.53 1r0a s VAL 216 N 1.07 0.09 0.05 4.02 1.01 0.55 -4.99 120.40 122.20 1r0a s VAL 216 Ca -0.07 -0.75 0.08 0.00 0.00 0.00 0.00 61.98 61.23 1r0a s VAL 216 Cb -0.07 -0.27 -0.03 0.00 0.00 0.00 0.00 36.38 36.01 1r0a s VAL 216 CO -0.09 -0.41 -0.20 -1.81 0.00 0.00 0.00 175.10 172.59 1r0a s ASP 217 N -1.26 3.69 -0.16 3.32 1.01 -1.26 -0.50 116.67 121.50 1r0a s ASP 217 Ca -0.14 -0.47 -0.03 0.00 0.71 0.00 0.00 52.55 52.63 1r0a s ASP 217 Cb -0.08 -0.54 0.05 0.00 1.01 0.00 0.00 42.92 43.35 1r0a s ASP 217 CO -0.00 0.25 0.04 -0.54 0.21 0.00 0.00 175.17 175.13 1r0a s LYS 218 N -1.45 0.51 0.05 8.23 -0.14 -0.15 -4.96 119.74 121.84 1r0a s LYS 218 Ca 0.14 -0.23 -0.28 0.00 -1.36 0.00 0.00 55.97 54.24 1r0a s LYS 218 Cb -0.10 -1.80 -0.05 0.00 -1.68 0.00 0.00 37.83 34.20 1r0a s LYS 218 CO 0.05 -0.57 0.89 0.21 -0.76 0.00 0.00 175.35 175.17 1r0a s LYS 219 N 1.94 4.59 -1.21 1.68 2.20 -1.26 -0.38 119.74 127.30 1r0a s LYS 219 Ca 0.01 1.30 -0.15 0.00 -0.36 0.00 0.00 55.97 56.77 1r0a s LYS 219 Cb -0.16 -3.40 0.15 0.00 -1.51 0.00 0.00 37.83 32.92 1r0a s LYS 219 CO -0.07 0.16 1.48 0.42 -0.36 0.00 0.00 175.35 176.97 1r0a s ILE 220 N 0.28 4.86 0.12 5.43 -1.09 -0.46 -4.91 121.20 125.43 1r0a s ILE 220 Ca 0.45 -2.48 -0.30 0.00 -2.23 0.00 0.00 60.65 56.09 1r0a s ILE 220 Cb -0.22 -4.96 -0.06 0.00 -1.58 0.00 0.00 42.46 35.64 1r0a s ILE 220 CO 0.27 -1.69 1.10 0.68 -1.23 0.00 0.00 174.94 174.07 1r0a s VAL 221 N 2.08 4.10 0.32 2.92 -7.23 -1.26 -4.75 120.40 116.58 1r0a s VAL 221 Ca 0.44 1.67 -0.29 0.00 -1.81 0.00 0.00 61.98 61.99 1r0a s VAL 221 Cb -0.02 -4.07 -0.12 0.00 0.56 0.00 0.00 36.38 32.73 1r0a s VAL 221 CO 0.01 0.22 1.39 -0.81 -0.31 0.00 0.00 175.10 175.60 1r0a n PRO 222 N 3.05 2.28 -1.64 4.82 -0.04 -1.26 -4.76 135.00 137.44 1r0a n PRO 222 Ca 0.05 0.80 -0.42 0.00 -0.04 0.00 0.00 63.50 63.89 1r0a n PRO 222 Cb 0.47 -2.45 -0.03 0.00 -0.04 0.00 0.00 33.50 31.45 1r0a n PRO 222 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1r0a n ALA 223 N 0.90 1.64 -0.20 0.55 0.00 -1.25 -4.88 120.51 117.26 1r0a n ALA 223 Ca 0.06 0.09 -0.03 0.00 0.00 0.00 0.00 53.44 53.56 1r0a n ALA 223 Cb 0.36 -2.75 0.07 0.00 0.00 0.00 0.00 19.45 17.13 1r0a n ALA 223 CO 0.00 0.00 0.00 0.38 0.00 0.00 0.00 177.50 177.88 1r0a h ASP 224 N 11.79 0.49 0.00 0.00 2.03 -1.92 -3.47 116.42 125.34 1r0a h ASP 224 Ca -0.48 0.02 0.00 0.00 -0.73 0.00 0.00 57.03 55.85 1r0a h ASP 224 Cb 1.24 -0.07 0.00 0.00 -0.83 0.00 0.00 39.33 39.67 1r0a h ASP 224 CO 0.95 0.33 0.00 0.00 -1.03 0.00 0.00 179.24 179.49