#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2itc n VAL 2 N 0.00 0.25 0.01 -0.39 0.31 -1.26 -4.86 118.33 112.39 2itc n VAL 2 Ca 0.00 -0.15 -0.17 0.00 -0.01 0.00 0.00 64.34 64.01 2itc n VAL 2 Cb 0.00 -1.41 -0.07 0.00 -0.91 0.00 0.00 33.84 31.46 2itc n VAL 2 CO 0.00 0.00 0.00 1.56 -1.32 0.00 0.00 176.83 177.07 2itc h GLN 3 N 9.92 0.70 -4.96 5.55 4.20 -1.92 -3.42 115.11 125.18 2itc h GLN 3 Ca -0.35 -0.63 -0.64 0.00 0.06 0.00 0.00 58.65 57.10 2itc h GLN 3 Cb 1.32 0.15 -0.35 0.00 0.30 0.00 0.00 27.48 28.91 2itc h GLN 3 CO 1.00 1.23 -0.85 -0.51 -0.67 0.00 0.00 178.83 179.03 2itc s LEU 4 N -8.23 1.93 -0.23 1.46 1.02 -1.26 -0.13 118.68 113.24 2itc s LEU 4 Ca -0.09 -0.54 -0.04 0.00 0.02 0.00 0.00 54.13 53.48 2itc s LEU 4 Cb 0.08 -1.30 -0.00 0.00 0.02 0.00 0.00 46.19 44.99 2itc s LEU 4 CO 0.90 0.03 -0.04 -1.10 0.02 0.00 0.00 176.35 176.16 2itc s GLN 5 N 1.04 3.30 0.05 1.70 -0.21 0.62 -4.41 119.66 121.74 2itc s GLN 5 Ca -0.03 -0.68 0.08 0.00 0.02 0.00 0.00 55.36 54.75 2itc s GLN 5 Cb -0.15 -3.03 -0.03 0.00 1.00 0.00 0.00 33.01 30.81 2itc s GLN 5 CO -0.05 -0.24 -0.23 -0.65 -2.12 0.00 0.00 175.29 172.01 2itc s GLN 6 N 1.46 1.50 0.36 2.91 -0.21 -1.26 -1.81 119.66 122.62 2itc s GLN 6 Ca 0.05 -1.03 -0.28 0.00 0.02 0.00 0.00 55.36 54.12 2itc s GLN 6 Cb -0.15 -1.67 -0.11 0.00 1.00 0.00 0.00 33.01 32.09 2itc s GLN 6 CO -0.03 0.42 1.47 -2.14 -2.12 0.00 0.00 175.29 172.90 2itc s PRO 7 N -1.28 4.14 0.21 2.91 0.02 -1.26 -4.81 135.00 134.93 2itc s PRO 7 Ca 0.09 2.53 -0.09 0.00 0.02 0.00 0.00 61.00 63.55 2itc s PRO 7 Cb -0.09 -2.99 0.20 0.00 0.02 0.00 0.00 34.50 31.64 2itc s PRO 7 CO 0.02 -0.50 1.86 0.78 -0.33 0.00 0.00 177.00 178.83 2itc h GLY 8 N 3.23 1.08 -2.65 0.52 0.00 -1.93 -3.35 103.07 99.96 2itc h GLY 8 Ca -0.50 -0.36 -0.01 0.00 0.00 0.00 0.00 47.33 46.45 2itc h GLY 8 CO 0.66 0.32 0.08 0.00 0.00 0.00 0.00 176.54 177.60 2itc s ALA 9 N -6.12 -1.09 -0.11 3.60 0.00 -1.26 -1.00 121.76 115.78 2itc s ALA 9 Ca -0.13 -0.09 -0.05 0.00 0.00 0.00 0.00 51.96 51.69 2itc s ALA 9 Cb 0.16 0.85 0.05 0.00 0.00 0.00 0.00 23.12 24.18 2itc s ALA 9 CO 0.78 -0.82 0.25 -1.21 0.00 0.00 0.00 175.76 174.77 2itc s GLU 10 N -3.85 0.19 -0.20 0.00 0.41 -0.63 -4.77 118.70 109.85 2itc s GLU 10 Ca 0.08 0.61 -0.09 0.00 -0.41 0.00 0.00 54.97 55.16 2itc s GLU 10 Cb -0.01 -0.09 -0.04 0.00 -1.78 0.00 0.00 34.13 32.20 2itc s GLU 10 CO -0.04 -0.20 0.10 -1.17 -0.49 0.00 0.00 175.26 173.45 2itc s LEU 11 N 1.65 3.96 -0.05 1.80 2.96 -1.26 -1.76 118.68 125.98 2itc s LEU 11 Ca -0.06 0.12 0.01 0.00 -0.22 0.00 0.00 54.13 53.98 2itc s LEU 11 Cb -0.11 -2.02 0.02 0.00 0.50 0.00 0.00 46.19 44.58 2itc s LEU 11 CO -0.09 0.15 -0.05 -0.69 -1.32 0.00 0.00 176.35 174.35 2itc s VAL 12 N 0.50 0.63 0.30 1.68 1.01 0.46 -4.98 120.40 120.00 2itc s VAL 12 Ca 0.05 -0.16 -0.29 0.00 0.00 0.00 0.00 61.98 61.59 2itc s VAL 12 Cb -0.12 -0.65 -0.09 0.00 0.00 0.00 0.00 36.38 35.52 2itc s VAL 12 CO 0.00 0.25 1.10 -0.54 0.00 0.00 0.00 175.10 175.92 2itc s LYS 13 N 1.01 4.56 -0.05 2.72 1.02 -1.25 -0.93 119.74 126.82 2itc s LYS 13 Ca -0.09 1.79 -0.37 0.00 0.02 0.00 0.00 55.97 57.32 2itc s LYS 13 Cb -0.14 -3.10 -0.15 0.00 -0.52 0.00 0.00 37.83 33.92 2itc s LYS 13 CO -0.00 0.14 1.62 -0.35 -0.92 0.00 0.00 175.35 175.84 2itc n PRO 14 N 1.01 1.54 0.00 -1.68 -0.04 -1.26 -1.08 135.00 133.48 2itc n PRO 14 Ca -0.00 0.56 0.00 0.00 -0.04 0.00 0.00 63.50 64.02 2itc n PRO 14 Cb 0.45 -2.28 0.00 0.00 -0.04 0.00 0.00 33.50 31.63 2itc n PRO 14 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2itc n GLY 15 N 3.59 2.39 3.70 0.55 0.00 0.14 -4.96 105.19 110.59 2itc n GLY 15 Ca 0.22 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.93 2itc n GLY 15 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2itc s ALA 16 N -2.50 1.09 0.16 4.61 0.00 -0.25 -3.55 121.76 121.32 2itc s ALA 16 Ca 0.00 -1.16 0.04 0.00 0.00 0.00 0.00 51.96 50.85 2itc s ALA 16 Cb 0.00 -2.80 -0.05 0.00 0.00 0.00 0.00 23.12 20.27 2itc s ALA 16 CO 0.00 -3.36 -0.09 -1.54 0.00 0.00 0.00 175.76 170.77 2itc s SER 17 N -4.32 1.84 0.03 0.00 1.04 -1.26 -1.83 113.70 109.20 2itc s SER 17 Ca 0.74 -1.05 -0.06 0.00 0.48 0.00 0.00 55.95 56.06 2itc s SER 17 Cb -0.06 -0.01 -0.01 0.00 0.10 0.00 0.00 66.02 66.04 2itc s SER 17 CO 0.55 -0.36 0.11 0.54 0.98 0.00 0.00 173.24 175.06 2itc s VAL 18 N -3.33 0.12 -0.24 5.02 0.11 0.54 -4.99 120.40 117.63 2itc s VAL 18 Ca 0.19 -0.99 0.02 0.00 -2.93 0.00 0.00 61.98 58.27 2itc s VAL 18 Cb 0.03 -0.79 0.05 0.00 -1.53 0.00 0.00 36.38 34.14 2itc s VAL 18 CO 0.02 -0.55 -0.12 -0.75 -3.33 0.00 0.00 175.10 170.37 2itc s LYS 19 N -2.33 2.33 0.30 1.54 2.20 -1.26 -0.48 119.74 122.03 2itc s LYS 19 Ca -0.07 -1.21 -0.10 0.00 -0.36 0.00 0.00 55.97 54.23 2itc s LYS 19 Cb -0.03 -2.79 -0.07 0.00 -1.51 0.00 0.00 37.83 33.43 2itc s LYS 19 CO -0.03 -0.50 0.64 -0.51 -0.36 0.00 0.00 175.35 174.59 2itc s LEU 20 N 1.17 4.06 0.27 5.43 1.43 -0.48 -4.91 118.68 125.64 2itc s LEU 20 Ca -0.06 1.01 0.11 0.00 -1.03 0.00 0.00 54.13 54.16 2itc s LEU 20 Cb -0.18 -3.82 -0.05 0.00 0.03 0.00 0.00 46.19 42.16 2itc s LEU 20 CO -0.07 -0.19 -0.17 -0.94 0.23 0.00 0.00 176.35 175.21 2itc s SER 21 N -2.64 3.36 -0.32 2.29 1.04 -1.26 -1.66 113.70 114.51 2itc s SER 21 Ca 0.49 -1.05 0.02 0.00 0.48 0.00 0.00 55.95 55.89 2itc s SER 21 Cb -0.11 -0.26 0.15 0.00 0.10 0.00 0.00 66.02 65.90 2itc s SER 21 CO 0.24 -0.04 0.36 0.00 0.98 0.00 0.00 173.24 174.78 2itc s LYS 23 N 2.15 4.19 0.09 0.00 2.47 -0.75 -0.94 119.74 126.96 2itc s LYS 23 Ca 0.12 0.78 0.03 0.00 -1.56 0.00 0.00 55.97 55.35 2itc s LYS 23 Cb -0.13 -3.62 -0.04 0.00 -1.46 0.00 0.00 37.83 32.58 2itc s LYS 23 CO -0.24 -0.39 0.08 0.00 0.16 0.00 0.00 175.35 174.96 2itc s ALA 24 N 2.42 3.54 0.31 3.13 0.00 -0.20 -0.28 121.76 130.69 2itc s ALA 24 Ca 0.32 -1.05 0.05 0.00 0.00 0.00 0.00 51.96 51.28 2itc s ALA 24 Cb -0.16 -1.40 -0.03 0.00 0.00 0.00 0.00 23.12 21.53 2itc s ALA 24 CO 0.09 0.71 0.22 -1.54 0.00 0.00 0.00 175.76 175.24 2itc s SER 25 N -2.49 1.45 0.00 0.00 1.04 0.81 -4.84 113.70 109.68 2itc s SER 25 Ca 0.29 -1.65 0.00 0.00 0.48 0.00 0.00 55.95 55.07 2itc s SER 25 Cb -0.12 0.50 0.00 0.00 0.10 0.00 0.00 66.02 66.50 2itc s SER 25 CO 0.22 -0.98 0.00 0.61 0.98 0.00 0.00 173.24 174.06 2itc n GLY 26 N -0.57 -1.86 3.75 7.32 0.00 -1.26 -4.72 105.19 107.85 2itc n GLY 26 Ca 0.04 -1.69 -0.41 0.00 0.00 0.00 0.00 46.02 43.96 2itc n GLY 26 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2itc s TYR 27 N 0.00 2.78 -0.08 1.61 1.51 -1.26 -5.01 117.35 116.90 2itc s TYR 27 Ca 0.00 0.86 0.02 0.00 -1.01 0.00 0.00 57.07 56.94 2itc s TYR 27 Cb 0.00 -4.02 0.01 0.00 -0.11 0.00 0.00 41.96 37.84 2itc s TYR 27 CO 0.00 -3.38 -0.13 0.95 -1.11 0.00 0.00 175.55 171.89 2itc s THR 28 N -0.11 1.25 0.26 -0.71 -4.23 -1.26 -5.14 115.64 105.70 2itc s THR 28 Ca 0.62 -0.51 0.12 0.00 -1.18 0.00 0.00 61.69 60.73 2itc s THR 28 Cb -0.47 -1.15 -0.05 0.00 1.34 0.00 0.00 72.50 72.18 2itc s THR 28 CO 0.48 0.39 -0.21 -0.36 -0.54 0.00 0.00 174.62 174.39 2itc s PHE 29 N 0.87 2.30 0.21 3.99 0.08 -1.26 -5.01 117.98 119.16 2itc s PHE 29 Ca -0.10 -0.33 0.36 0.00 0.12 0.00 0.00 56.93 56.97 2itc s PHE 29 Cb -0.15 -1.02 1.69 0.00 -0.57 0.00 0.00 43.02 42.97 2itc s PHE 29 CO 0.01 0.68 2.07 0.00 -0.10 0.00 0.00 175.22 177.88 2itc h THR 30 N 2.43 0.00 -0.25 0.64 1.03 -2.00 -2.00 112.91 112.76 2itc h THR 30 Ca -0.41 -0.26 0.00 0.00 -0.01 0.00 0.00 66.41 65.73 2itc h THR 30 Cb 1.25 1.19 0.00 0.00 -1.07 0.00 0.00 68.15 69.52 2itc h THR 30 CO 0.58 0.00 0.00 -1.54 -0.01 0.00 0.00 175.52 174.55 2itc n SER 31 N -2.93 1.92 -4.74 0.00 3.41 -1.26 -4.55 113.62 105.48 2itc n SER 31 Ca -0.01 -1.82 -0.41 0.00 -0.26 0.00 0.00 58.87 56.37 2itc n SER 31 Cb 0.19 -0.17 -0.04 0.00 -0.26 0.00 0.00 64.21 63.93 2itc n SER 31 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 2itc s ASP 32 N -1.38 7.37 0.01 4.04 1.01 -0.75 -3.22 116.67 123.75 2itc s ASP 32 Ca 0.31 1.98 0.08 0.00 0.71 0.00 0.00 52.55 55.63 2itc s ASP 32 Cb 0.16 -2.60 -0.02 0.00 1.01 0.00 0.00 42.92 41.47 2itc s ASP 32 CO 0.24 -0.14 -0.25 0.26 0.21 0.00 0.00 175.17 175.49 2itc s TRP 33 N -0.25 2.22 -0.15 4.23 0.52 -0.00 -3.98 118.94 121.52 2itc s TRP 33 Ca 0.48 -0.41 -0.02 0.00 0.02 0.00 0.00 56.10 56.17 2itc s TRP 33 Cb -0.27 -1.39 -0.02 0.00 -1.15 0.00 0.00 33.47 30.64 2itc s TRP 33 CO 0.33 0.03 -0.09 0.42 0.02 0.00 0.00 176.95 177.65 2itc s ILE 34 N -0.67 3.32 0.27 2.03 -1.09 0.14 -1.76 121.20 123.44 2itc s ILE 34 Ca 0.10 -0.56 0.07 0.00 -2.23 0.00 0.00 60.65 58.04 2itc s ILE 34 Cb -0.10 -2.43 -0.04 0.00 -1.58 0.00 0.00 42.46 38.32 2itc s ILE 34 CO 0.00 0.51 0.19 -1.00 -1.23 0.00 0.00 174.94 173.41 2itc s HIS 35 N 0.47 3.02 -0.06 3.97 3.76 -0.27 -1.39 115.29 124.80 2itc s HIS 35 Ca -0.07 -0.16 0.01 0.00 -0.15 0.00 0.00 55.06 54.69 2itc s HIS 35 Cb -0.15 -1.45 0.02 0.00 1.11 0.00 0.00 32.58 32.11 2itc s HIS 35 CO 0.04 0.47 -0.07 -1.58 -0.85 0.00 0.00 174.74 172.75 2itc s TRP 36 N -2.19 1.09 -0.08 1.40 0.52 -0.61 -1.12 118.94 117.96 2itc s TRP 36 Ca 0.34 -0.39 0.02 0.00 0.02 0.00 0.00 56.10 56.09 2itc s TRP 36 Cb -0.07 -0.89 0.01 0.00 -1.15 0.00 0.00 33.47 31.37 2itc s TRP 36 CO 0.25 -0.27 -0.15 0.08 0.02 0.00 0.00 176.95 176.87 2itc s VAL 37 N 0.99 1.40 -0.05 4.03 1.01 0.09 -0.29 120.40 127.59 2itc s VAL 37 Ca -0.09 -0.62 -0.08 0.00 0.00 0.00 0.00 61.98 61.18 2itc s VAL 37 Cb -0.14 -1.26 -0.05 0.00 0.00 0.00 0.00 36.38 34.93 2itc s VAL 37 CO 0.00 0.42 0.24 -0.75 0.00 0.00 0.00 175.10 175.01 2itc s LYS 38 N 0.68 3.59 -0.22 2.72 2.20 0.63 -1.01 119.74 128.32 2itc s LYS 38 Ca -0.14 0.00 -0.04 0.00 -0.36 0.00 0.00 55.97 55.44 2itc s LYS 38 Cb -0.16 -3.16 0.09 0.00 -1.51 0.00 0.00 37.83 33.10 2itc s LYS 38 CO 0.04 0.71 0.19 -1.14 -0.36 0.00 0.00 175.35 174.79 2itc s GLN 39 N -1.31 0.18 0.49 4.03 0.74 -0.43 -0.72 119.66 122.65 2itc s GLN 39 Ca 0.21 -0.01 -0.19 0.00 0.05 0.00 0.00 55.36 55.42 2itc s GLN 39 Cb -0.13 -1.27 -0.08 0.00 1.10 0.00 0.00 33.01 32.63 2itc s GLN 39 CO 0.10 -0.76 1.02 1.03 -0.55 0.00 0.00 175.29 176.14 2itc s ARG 40 N 2.26 3.83 0.18 1.67 0.52 -1.26 -2.18 118.95 123.96 2itc s ARG 40 Ca 0.06 1.26 -0.33 0.00 -0.52 0.00 0.00 55.73 56.21 2itc s ARG 40 Cb -0.16 -2.11 -0.15 0.00 0.52 0.00 0.00 34.95 33.06 2itc s ARG 40 CO -0.18 -0.40 1.27 -0.35 0.02 0.00 0.00 175.30 175.67 2itc n PRO 41 N -1.10 1.47 -0.72 3.54 -0.04 -1.26 -0.86 135.00 136.03 2itc n PRO 41 Ca 0.09 0.52 0.00 0.00 -0.04 0.00 0.00 63.50 64.07 2itc n PRO 41 Cb 0.53 -2.09 0.00 0.00 -0.04 0.00 0.00 33.50 31.89 2itc n PRO 41 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2itc n GLY 42 N 2.17 0.54 3.83 0.55 0.00 -1.26 -4.97 105.19 106.04 2itc n GLY 42 Ca 0.14 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.90 2itc n GLY 42 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2itc s HIS 43 N -2.47 2.07 0.50 1.61 3.76 -0.04 -5.14 115.29 115.58 2itc s HIS 43 Ca 0.00 -0.74 -0.09 0.00 -0.15 0.00 0.00 55.06 54.08 2itc s HIS 43 Cb 0.00 -1.91 0.12 0.00 1.11 0.00 0.00 32.58 31.89 2itc s HIS 43 CO 0.00 -0.14 0.67 0.41 -0.85 0.00 0.00 174.74 174.83 2itc n GLY 44 N -1.51 -1.42 3.75 -2.22 0.00 -1.26 -4.60 105.19 97.92 2itc n GLY 44 Ca -0.03 -1.67 -0.40 0.00 0.00 0.00 0.00 46.02 43.92 2itc n GLY 44 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2itc s LEU 45 N 0.00 4.43 -0.17 0.99 1.43 -1.26 -4.33 118.68 119.78 2itc s LEU 45 Ca 0.38 1.36 0.00 0.00 -1.03 0.00 0.00 54.13 54.84 2itc s LEU 45 Cb -0.01 -3.15 0.03 0.00 0.03 0.00 0.00 46.19 43.09 2itc s LEU 45 CO 0.27 0.02 -0.11 -0.70 0.23 0.00 0.00 176.35 176.06 2itc s GLU 46 N -0.01 2.07 0.08 1.70 2.12 0.10 -4.98 118.70 119.78 2itc s GLU 46 Ca 0.37 -0.64 -0.31 0.00 0.36 0.00 0.00 54.97 54.75 2itc s GLU 46 Cb -0.20 -2.18 -0.07 0.00 0.26 0.00 0.00 34.13 31.94 2itc s GLU 46 CO 0.21 -0.33 1.43 -0.46 -0.54 0.00 0.00 175.26 175.58 2itc s TRP 47 N 1.48 3.04 -0.26 5.30 -0.00 -1.26 -0.27 118.94 126.97 2itc s TRP 47 Ca 0.02 0.83 -0.06 0.00 -0.00 0.00 0.00 56.10 56.88 2itc s TRP 47 Cb -0.14 -3.72 -0.15 0.00 -0.00 0.00 0.00 33.47 29.45 2itc s TRP 47 CO -0.09 -2.63 -0.25 -0.89 -0.00 0.00 0.00 176.95 173.09 2itc n ILE 48 N 4.23 1.52 0.00 5.86 5.41 0.60 -4.62 119.36 132.36 2itc n ILE 48 Ca 0.13 -0.47 0.00 0.00 1.00 0.00 0.00 62.75 63.40 2itc n ILE 48 Cb 0.42 -1.66 0.00 0.00 -0.71 0.00 0.00 39.64 37.69 2itc n ILE 48 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 2itc n GLY 49 N 1.77 -0.41 3.18 7.39 0.00 -1.21 -1.19 105.19 114.72 2itc n GLY 49 Ca -0.49 -1.05 -0.11 0.00 0.00 0.00 0.00 46.02 44.37 2itc n GLY 49 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2itc s GLU 50 N -2.00 1.04 -0.21 1.61 -1.05 0.41 -1.57 118.70 116.93 2itc s GLU 50 Ca 0.00 -1.51 -0.20 0.00 -0.15 0.00 0.00 54.97 53.10 2itc s GLU 50 Cb 0.00 0.16 0.06 0.00 -0.44 0.00 0.00 34.13 33.91 2itc s GLU 50 CO 0.00 -0.28 0.58 -1.50 0.95 0.00 0.00 175.26 175.01 2itc s ILE 51 N -4.01 0.00 -0.37 1.83 2.07 -0.48 -1.05 121.20 119.19 2itc s ILE 51 Ca 0.28 -0.01 -0.07 0.00 -1.41 0.00 0.00 60.65 59.45 2itc s ILE 51 Cb 0.07 -0.81 0.06 0.00 0.13 0.00 0.00 42.46 41.91 2itc s ILE 51 CO 0.05 -0.00 0.15 -0.51 -1.91 0.00 0.00 174.94 172.72 2itc s ILE 52 N 0.24 3.81 0.26 2.00 2.07 -0.75 0.27 121.20 129.10 2itc s ILE 52 Ca -0.00 -1.33 -0.03 0.00 -1.41 0.00 0.00 60.65 57.88 2itc s ILE 52 Cb -0.04 -3.26 0.24 0.00 0.13 0.00 0.00 42.46 39.53 2itc s ILE 52 CO 0.01 -0.33 1.84 -0.65 -1.91 0.00 0.00 174.94 173.90 2itc h PRO 53 N 8.24 0.91 -0.01 3.50 0.11 -1.89 0.90 132.00 143.76 2itc h PRO 53 Ca -0.22 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.84 2itc h PRO 53 Cb 1.08 -0.21 -0.00 0.00 0.11 0.00 0.00 31.00 31.98 2itc h PRO 53 CO 0.65 0.60 0.02 0.66 -0.21 0.00 0.00 178.00 179.73 2itc h SER 54 N 0.94 0.00 0.00 -2.05 4.64 -1.84 -3.14 113.55 112.10 2itc h SER 54 Ca 0.42 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.74 2itc h SER 54 Cb 0.32 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.41 2itc h SER 54 CO -0.22 0.00 -0.96 0.00 -0.87 0.00 0.00 176.83 174.77 2itc n TYR 55 N -3.32 0.00 -0.41 4.77 9.36 -1.01 -5.05 117.16 121.49 2itc n TYR 55 Ca -0.03 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.19 2itc n TYR 55 Cb 0.10 0.00 0.00 0.00 -0.63 0.00 0.00 39.34 38.81 2itc n TYR 55 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 2itc n GLY 56 N 3.05 0.79 3.84 2.98 0.00 0.31 -5.06 105.19 111.10 2itc n GLY 56 Ca 0.00 -0.03 -0.36 0.00 0.00 0.00 0.00 46.02 45.63 2itc n GLY 56 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2itc s ARG 57 N -0.60 4.02 0.09 1.61 3.52 -1.22 -4.87 118.95 121.49 2itc s ARG 57 Ca 0.00 0.53 0.06 0.00 -0.13 0.00 0.00 55.73 56.19 2itc s ARG 57 Cb 0.00 -2.98 -0.03 0.00 -1.56 0.00 0.00 34.95 30.38 2itc s ARG 57 CO 0.00 0.50 -0.16 0.00 -0.81 0.00 0.00 175.30 174.83 2itc s ALA 58 N -1.41 1.37 0.07 6.12 0.00 -1.26 -1.80 121.76 124.85 2itc s ALA 58 Ca 0.36 -1.10 0.07 0.00 0.00 0.00 0.00 51.96 51.29 2itc s ALA 58 Cb -0.16 -0.13 -0.03 0.00 0.00 0.00 0.00 23.12 22.80 2itc s ALA 58 CO 0.19 0.20 -0.19 -0.80 0.00 0.00 0.00 175.76 175.16 2itc s ASN 59 N -1.89 2.28 0.09 0.00 0.01 -0.21 -4.98 114.94 110.24 2itc s ASN 59 Ca 0.02 -0.60 0.06 0.00 -0.71 0.00 0.00 52.86 51.62 2itc s ASN 59 Cb -0.09 -0.14 -0.03 0.00 0.41 0.00 0.00 41.25 41.40 2itc s ASN 59 CO 0.03 0.06 -0.16 -0.31 -1.51 0.00 0.00 177.10 175.21 2itc s TYR 60 N -1.04 1.39 0.11 2.20 1.51 -1.26 -0.44 117.35 119.81 2itc s TYR 60 Ca 0.05 -0.46 -0.31 0.00 -1.01 0.00 0.00 57.07 55.34 2itc s TYR 60 Cb -0.09 -0.77 -0.10 0.00 -0.11 0.00 0.00 41.96 40.89 2itc s TYR 60 CO 0.03 0.11 1.87 -1.71 -1.11 0.00 0.00 175.55 174.74 2itc n ASN 61 N 1.13 4.10 0.09 2.29 2.85 -0.34 -4.88 115.26 120.52 2itc n ASN 61 Ca -0.20 0.97 -0.02 0.00 -0.11 0.00 0.00 54.58 55.22 2itc n ASN 61 Cb 0.54 -1.55 -0.04 0.00 1.24 0.00 0.00 39.78 39.97 2itc n ASN 61 CO 0.00 0.00 0.00 -0.33 -2.11 0.00 0.00 177.26 174.82 2itc h GLU 62 N 9.02 0.00 0.00 1.20 5.08 -1.95 -3.33 114.58 124.60 2itc h GLU 62 Ca -0.47 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.89 2itc h GLU 62 Cb 1.22 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.47 2itc h GLU 62 CO 0.95 0.66 0.00 0.87 -1.00 0.00 0.00 179.01 180.48 2itc h LYS 63 N 0.00 0.00 -6.28 2.33 1.79 -1.98 -3.45 116.57 108.99 2itc h LYS 63 Ca -0.03 0.00 -0.59 0.00 -2.18 0.00 0.00 60.65 57.84 2itc h LYS 63 Cb 1.57 0.00 -0.18 0.00 -1.58 0.00 0.00 32.23 32.04 2itc h LYS 63 CO 0.09 0.00 -0.80 0.96 -1.08 0.00 0.00 179.45 178.62 2itc s ILE 64 N -3.70 2.14 0.19 1.86 -4.36 -1.25 -5.10 121.20 110.98 2itc s ILE 64 Ca -0.01 -2.03 -0.33 0.00 -0.26 0.00 0.00 60.65 58.03 2itc s ILE 64 Cb 0.10 -2.02 -0.13 0.00 1.25 0.00 0.00 42.46 41.65 2itc s ILE 64 CO 0.40 -0.23 1.63 1.67 0.24 0.00 0.00 174.94 178.64 2itc n GLN 65 N 0.18 2.42 -2.34 0.37 -0.06 -1.26 -4.87 117.38 111.81 2itc n GLN 65 Ca -0.12 0.87 -0.42 0.00 -2.00 0.00 0.00 57.00 55.34 2itc n GLN 65 Cb 0.57 -2.67 -0.03 0.00 -4.06 0.00 0.00 30.24 24.06 2itc n GLN 65 CO 0.00 0.00 0.00 0.21 -0.20 0.00 0.00 177.06 177.07 2itc s LYS 66 N 0.88 3.31 -0.02 3.69 2.20 -1.26 -4.78 119.74 123.76 2itc s LYS 66 Ca 0.76 0.59 0.15 0.00 -0.36 0.00 0.00 55.97 57.12 2itc s LYS 66 Cb -0.60 -4.13 -0.23 0.00 -1.51 0.00 0.00 37.83 31.37 2itc s LYS 66 CO 0.37 -1.92 0.39 1.63 -0.36 0.00 0.00 175.35 175.45 2itc n LYS 67 N 8.58 0.73 -3.85 4.03 4.76 -1.26 -5.01 118.16 126.15 2itc n LYS 67 Ca 0.14 -0.12 -0.22 0.00 -2.87 0.00 0.00 58.31 55.25 2itc n LYS 67 Cb 0.49 -1.34 -0.04 0.00 -1.84 0.00 0.00 35.03 32.30 2itc n LYS 67 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2itc s ALA 68 N -2.96 3.79 -0.16 7.82 0.00 -1.26 -1.85 121.76 127.14 2itc s ALA 68 Ca -0.04 -1.77 -0.06 0.00 0.00 0.00 0.00 51.96 50.09 2itc s ALA 68 Cb 0.10 -0.98 0.08 0.00 0.00 0.00 0.00 23.12 22.31 2itc s ALA 68 CO 0.64 -0.05 0.35 0.99 0.00 0.00 0.00 175.76 177.69 2itc s THR 69 N -2.39 -0.47 0.00 0.00 2.01 -0.97 -4.95 115.64 108.87 2itc s THR 69 Ca 0.42 0.20 -0.02 0.00 0.31 0.00 0.00 61.69 62.60 2itc s THR 69 Cb -0.04 -0.56 -0.04 0.00 0.01 0.00 0.00 72.50 71.87 2itc s THR 69 CO 0.26 0.09 0.16 -0.76 -0.69 0.00 0.00 174.62 173.67 2itc s LEU 70 N 2.35 4.24 0.14 4.42 1.43 -1.26 -1.12 118.68 128.88 2itc s LEU 70 Ca -0.02 0.28 -0.09 0.00 -1.03 0.00 0.00 54.13 53.27 2itc s LEU 70 Cb -0.12 -2.57 -0.00 0.00 0.03 0.00 0.00 46.19 43.53 2itc s LEU 70 CO -0.11 0.25 0.26 0.42 0.23 0.00 0.00 176.35 177.40 2itc s THR 71 N -1.32 0.09 -0.07 5.49 -4.23 -0.47 -4.90 115.64 110.23 2itc s THR 71 Ca 0.27 -1.29 -0.13 0.00 -1.18 0.00 0.00 61.69 59.36 2itc s THR 71 Cb -0.12 -1.66 0.03 0.00 1.34 0.00 0.00 72.50 72.09 2itc s THR 71 CO 0.19 -0.40 0.33 0.00 -0.54 0.00 0.00 174.62 174.19 2itc s ALA 72 N -3.93 -0.81 -0.32 3.99 0.00 -1.26 -0.40 121.76 119.03 2itc s ALA 72 Ca 0.13 0.65 -0.03 0.00 0.00 0.00 0.00 51.96 52.71 2itc s ALA 72 Cb 0.04 -0.25 0.05 0.00 0.00 0.00 0.00 23.12 22.96 2itc s ALA 72 CO -0.04 -0.21 0.05 0.34 0.00 0.00 0.00 175.76 175.90 2itc s ASP 73 N -0.56 5.04 0.17 0.00 -1.08 0.10 -5.00 116.67 115.35 2itc s ASP 73 Ca -0.07 -1.33 -0.12 0.00 -0.52 0.00 0.00 52.55 50.52 2itc s ASP 73 Cb -0.04 -1.77 0.06 0.00 -1.46 0.00 0.00 42.92 39.72 2itc s ASP 73 CO 0.02 -0.31 1.70 0.07 0.52 0.00 0.00 175.17 177.17 2itc h LYS 74 N 8.06 0.89 -1.00 4.34 2.10 -1.89 -0.70 116.57 128.37 2itc h LYS 74 Ca -0.21 -0.19 0.02 0.00 -2.00 0.00 0.00 60.65 58.28 2itc h LYS 74 Cb 1.06 -0.13 -0.05 0.00 -0.90 0.00 0.00 32.23 32.21 2itc h LYS 74 CO 0.57 0.80 0.66 0.66 -2.00 0.00 0.00 179.45 180.13 2itc h SER 75 N 0.81 1.12 0.01 7.07 4.64 -1.97 -2.60 113.55 122.63 2itc h SER 75 Ca 0.19 -0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.49 2itc h SER 75 Cb 0.27 -0.27 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 2itc h SER 75 CO -0.01 0.79 -0.12 -1.54 -0.87 0.00 0.00 176.83 175.08 2itc n SER 76 N -4.42 2.17 -3.44 4.97 3.41 -1.18 -4.96 113.62 110.18 2itc n SER 76 Ca 0.13 -1.64 -0.25 0.00 -0.26 0.00 0.00 58.87 56.85 2itc n SER 76 Cb 0.05 0.11 0.03 0.00 -0.26 0.00 0.00 64.21 64.14 2itc n SER 76 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 2itc n SER 77 N 0.53 -5.25 -4.26 4.04 7.64 -0.32 -4.75 113.62 111.24 2itc n SER 77 Ca 0.14 -0.49 -0.32 0.00 1.01 0.00 0.00 58.87 59.22 2itc n SER 77 Cb 0.48 -4.22 -0.16 0.00 -1.01 0.00 0.00 64.21 59.29 2itc n SER 77 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 2itc s THR 78 N -3.17 2.12 -0.11 0.44 2.01 -0.88 -1.03 115.64 115.02 2itc s THR 78 Ca 0.47 -1.03 -0.03 0.00 0.31 0.00 0.00 61.69 61.42 2itc s THR 78 Cb -0.23 -1.78 -0.03 0.00 0.01 0.00 0.00 72.50 70.47 2itc s THR 78 CO 0.58 0.57 0.00 0.00 -0.69 0.00 0.00 174.62 175.08 2itc s ALA 79 N -0.01 3.24 0.01 7.40 0.00 -0.12 -0.72 121.76 131.57 2itc s ALA 79 Ca -0.08 -0.80 0.08 0.00 0.00 0.00 0.00 51.96 51.15 2itc s ALA 79 Cb -0.15 -1.53 -0.02 0.00 0.00 0.00 0.00 23.12 21.42 2itc s ALA 79 CO 0.05 0.48 -0.24 -0.06 0.00 0.00 0.00 175.76 176.00 2itc s PHE 80 N -0.55 2.10 -0.22 0.00 0.40 0.47 -0.58 117.98 119.60 2itc s PHE 80 Ca 0.09 -0.40 0.01 0.00 -0.60 0.00 0.00 56.93 56.04 2itc s PHE 80 Cb -0.12 -1.32 0.05 0.00 0.51 0.00 0.00 43.02 42.15 2itc s PHE 80 CO 0.02 0.02 -0.09 1.41 0.70 0.00 0.00 175.22 177.28 2itc s MET 81 N -0.79 1.96 -0.46 0.44 -2.45 -0.66 -1.37 119.30 115.96 2itc s MET 81 Ca 0.09 -1.00 -0.21 0.00 -1.25 0.00 0.00 55.69 53.33 2itc s MET 81 Cb -0.09 -2.58 0.03 0.00 1.25 0.00 0.00 34.83 33.44 2itc s MET 81 CO 0.00 -0.51 0.65 -1.14 1.05 0.00 0.00 175.02 175.07 2itc s GLN 82 N 1.33 3.25 -0.24 4.11 2.00 -0.28 -1.38 119.66 128.45 2itc s GLN 82 Ca -0.04 -0.47 -0.14 0.00 -2.00 0.00 0.00 55.36 52.71 2itc s GLN 82 Cb -0.18 -3.98 -0.04 0.00 0.80 0.00 0.00 33.01 29.61 2itc s GLN 82 CO -0.07 -1.07 0.30 -0.51 -0.50 0.00 0.00 175.29 173.44 2itc s LEU 83 N 2.83 4.10 0.15 3.68 1.43 0.37 -2.28 118.68 128.96 2itc s LEU 83 Ca 0.21 0.29 0.11 0.00 -1.03 0.00 0.00 54.13 53.71 2itc s LEU 83 Cb -0.15 -2.33 -0.04 0.00 0.03 0.00 0.00 46.19 43.70 2itc s LEU 83 CO 0.18 -0.06 -0.25 -0.94 0.23 0.00 0.00 176.35 175.51 2itc s SER 84 N 1.25 3.20 -1.24 2.29 1.04 -0.77 -0.34 113.70 119.14 2itc s SER 84 Ca 0.13 -0.79 -0.06 0.00 0.48 0.00 0.00 55.95 55.72 2itc s SER 84 Cb -0.15 -0.21 -0.01 0.00 0.10 0.00 0.00 66.02 65.75 2itc s SER 84 CO 0.08 0.13 0.74 -1.20 0.98 0.00 0.00 173.24 173.96 2itc n SER 85 N 0.69 -2.82 -4.82 7.02 7.64 -0.76 -4.91 113.62 115.66 2itc n SER 85 Ca -0.16 -0.86 -0.31 0.00 1.01 0.00 0.00 58.87 58.55 2itc n SER 85 Cb 0.54 -4.01 0.06 0.00 -1.01 0.00 0.00 64.21 59.79 2itc n SER 85 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 2itc s LEU 86 N -6.47 2.94 0.00 -3.43 1.43 -0.80 -4.65 118.68 107.69 2itc s LEU 86 Ca 0.17 1.47 0.01 0.00 -1.03 0.00 0.00 54.13 54.76 2itc s LEU 86 Cb -0.05 -4.26 -0.00 0.00 0.03 0.00 0.00 46.19 41.91 2itc s LEU 86 CO 0.82 -1.59 0.05 0.35 0.23 0.00 0.00 176.35 176.21 2itc n THR 87 N -3.21 0.00 0.26 5.49 -2.24 -1.26 -0.69 114.28 112.64 2itc n THR 87 Ca 0.07 -0.42 0.14 0.00 -2.27 0.00 0.00 64.05 61.57 2itc n THR 87 Cb 0.55 0.20 0.67 0.00 -2.10 0.00 0.00 70.33 69.65 2itc n THR 87 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 2itc h SER 88 N 0.35 0.00 0.63 3.42 4.64 -1.99 -1.90 113.55 118.69 2itc h SER 88 Ca -0.04 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.25 2itc h SER 88 Cb 0.21 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.30 2itc h SER 88 CO 0.06 0.12 -0.13 1.05 -0.87 0.00 0.00 176.83 177.06 2itc h GLU 89 N 0.00 0.00 -0.01 4.77 4.11 -1.95 -2.26 114.58 119.24 2itc h GLU 89 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 2itc h GLU 89 Cb 0.49 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.74 2itc h GLU 89 CO 0.02 0.13 -0.03 -0.25 0.07 0.00 0.00 179.01 178.94 2itc n ASP 90 N -3.43 0.86 -4.64 3.06 8.00 -0.72 -4.83 116.55 114.86 2itc n ASP 90 Ca -0.01 -1.17 -0.43 0.00 0.71 0.00 0.00 54.79 53.89 2itc n ASP 90 Cb 0.30 -0.00 -0.02 0.00 -0.02 0.00 0.00 41.12 41.37 2itc n ASP 90 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 2itc s SER 91 N -2.10 6.68 -0.06 -2.24 0.01 -0.85 -4.88 113.70 110.26 2itc s SER 91 Ca 0.39 1.48 -0.31 0.00 1.31 0.00 0.00 55.95 58.82 2itc s SER 91 Cb 0.21 -2.54 0.11 0.00 0.21 0.00 0.00 66.02 64.02 2itc s SER 91 CO 0.38 -1.02 1.36 0.00 0.41 0.00 0.00 173.24 174.36 2itc s ALA 92 N 4.30 -2.57 -0.08 1.44 0.00 -0.23 -4.72 121.76 119.89 2itc s ALA 92 Ca 0.60 0.40 -0.22 0.00 0.00 0.00 0.00 51.96 52.74 2itc s ALA 92 Cb -0.21 0.68 -0.04 0.00 0.00 0.00 0.00 23.12 23.56 2itc s ALA 92 CO 0.22 -1.13 0.63 0.08 0.00 0.00 0.00 175.76 175.57 2itc s VAL 93 N -2.07 5.09 -0.26 0.00 1.01 -0.93 -0.56 120.40 122.69 2itc s VAL 93 Ca 0.25 1.30 -0.02 0.00 0.00 0.00 0.00 61.98 63.51 2itc s VAL 93 Cb 0.02 -3.97 0.03 0.00 0.00 0.00 0.00 36.38 32.46 2itc s VAL 93 CO -0.03 0.27 -0.05 -0.31 0.00 0.00 0.00 175.10 174.98 2itc s TYR 94 N 0.76 3.09 0.21 5.22 2.02 -0.23 -1.32 117.35 127.10 2itc s TYR 94 Ca 0.34 -1.57 -0.02 0.00 -0.37 0.00 0.00 57.07 55.45 2itc s TYR 94 Cb -0.17 -2.07 -0.04 0.00 -0.40 0.00 0.00 41.96 39.28 2itc s TYR 94 CO 0.16 -0.73 0.41 0.71 -1.57 0.00 0.00 175.55 174.53 2itc s TYR 95 N 1.32 3.48 0.16 2.71 2.02 -0.18 -1.34 117.35 125.52 2itc s TYR 95 Ca -0.00 0.40 0.11 0.00 -0.37 0.00 0.00 57.07 57.21 2itc s TYR 95 Cb -0.17 -1.90 -0.04 0.00 -0.40 0.00 0.00 41.96 39.45 2itc s TYR 95 CO -0.04 0.35 -0.24 0.00 -1.57 0.00 0.00 175.55 174.06 2itc s ALA 97 N -1.49 -0.09 -0.11 0.00 0.00 -0.27 -1.06 121.76 118.74 2itc s ALA 97 Ca 0.16 -0.83 0.01 0.00 0.00 0.00 0.00 51.96 51.31 2itc s ALA 97 Cb -0.08 0.88 -0.02 0.00 0.00 0.00 0.00 23.12 23.90 2itc s ALA 97 CO 0.08 -0.68 -0.14 0.50 0.00 0.00 0.00 175.76 175.52 2itc s ARG 98 N -3.96 3.14 -0.10 0.00 3.52 -0.50 -1.11 118.95 119.94 2itc s ARG 98 Ca 0.17 -0.71 0.01 0.00 -0.13 0.00 0.00 55.73 55.08 2itc s ARG 98 Cb 0.03 -2.54 0.02 0.00 -1.56 0.00 0.00 34.95 30.89 2itc s ARG 98 CO 0.01 0.31 -0.12 -2.00 -0.81 0.00 0.00 175.30 172.68 2itc s GLU 99 N 0.09 1.92 -0.00 5.12 -6.30 -0.72 -1.98 118.70 116.83 2itc s GLU 99 Ca -0.06 -0.45 0.00 0.00 -2.50 0.00 0.00 54.97 51.96 2itc s GLU 99 Cb -0.15 -1.71 0.00 0.00 0.00 0.00 0.00 34.13 32.28 2itc s GLU 99 CO 0.05 -0.10 0.95 0.54 0.02 0.00 0.00 175.26 176.71 2itc n ARG 100 N 4.33 1.01 -0.94 4.30 5.12 -1.26 -0.82 116.66 128.39 2itc n ARG 100 Ca -0.18 -0.01 0.00 0.00 -1.93 0.00 0.00 57.85 55.72 2itc n ARG 100 Cb 0.51 -1.06 0.00 0.00 -1.16 0.00 0.00 32.46 30.74 2itc n ARG 100 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2itc n GLY 101 N 0.43 0.41 0.93 -0.13 0.00 -1.20 -4.78 105.19 100.86 2itc n GLY 101 Ca 0.00 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.08 2itc n GLY 101 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2itc n ASP 102 N -0.26 3.51 0.00 1.61 5.68 -1.26 -5.00 116.55 120.83 2itc n ASP 102 Ca 0.00 -3.20 0.00 0.00 -0.50 0.00 0.00 54.79 51.09 2itc n ASP 102 Cb 0.13 -0.56 0.00 0.00 -1.14 0.00 0.00 41.12 39.54 2itc n ASP 102 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2itc n GLY 103 N -0.70 2.14 3.40 6.12 0.00 -1.26 -5.05 105.19 109.83 2itc n GLY 103 Ca 0.24 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.99 2itc n GLY 103 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2itc s TYR 104 N -2.57 2.27 -0.68 1.61 -0.85 -1.26 -5.08 117.35 110.79 2itc s TYR 104 Ca 0.00 -0.38 -0.22 0.00 -0.52 0.00 0.00 57.07 55.95 2itc s TYR 104 Cb 0.00 -1.18 0.07 0.00 0.38 0.00 0.00 41.96 41.23 2itc s TYR 104 CO 0.00 0.40 0.98 -0.06 -1.52 0.00 0.00 175.55 175.35 2itc s PHE 105 N -1.35 2.70 0.24 -3.49 2.99 -1.26 -4.34 117.98 113.47 2itc s PHE 105 Ca 0.17 -0.61 -0.04 0.00 0.00 0.00 0.00 56.93 56.45 2itc s PHE 105 Cb -0.09 -4.30 0.27 0.00 0.00 0.00 0.00 43.02 38.90 2itc s PHE 105 CO 0.08 -1.64 1.76 0.00 -0.00 0.00 0.00 175.22 175.41 2itc h ALA 106 N 9.53 1.07 -2.89 5.36 0.00 -1.81 -3.45 119.26 127.06 2itc h ALA 106 Ca -0.26 -0.24 -0.15 0.00 0.00 0.00 0.00 54.91 54.25 2itc h ALA 106 Cb 1.07 -0.23 -0.22 0.00 0.00 0.00 0.00 17.79 18.41 2itc h ALA 106 CO 1.18 0.60 -0.51 0.54 0.00 0.00 0.00 179.25 181.06 2itc s VAL 107 N -5.17 0.07 0.21 0.00 0.11 -1.25 -5.04 120.40 109.34 2itc s VAL 107 Ca -0.11 -0.56 0.11 0.00 -2.93 0.00 0.00 61.98 58.49 2itc s VAL 107 Cb 0.15 -0.38 -0.05 0.00 -1.53 0.00 0.00 36.38 34.57 2itc s VAL 107 CO 0.82 -0.31 -0.20 0.26 -3.33 0.00 0.00 175.10 172.34 2itc s TRP 108 N -1.09 2.12 1.01 1.54 0.52 -1.26 -1.40 118.94 120.38 2itc s TRP 108 Ca -0.12 -0.40 -0.17 0.00 0.02 0.00 0.00 56.10 55.43 2itc s TRP 108 Cb -0.06 -1.00 0.23 0.00 -1.15 0.00 0.00 33.47 31.48 2itc s TRP 108 CO 0.01 0.51 1.33 0.20 0.02 0.00 0.00 176.95 179.02 2itc s GLY 109 N -2.99 1.80 0.08 0.98 0.00 -0.22 -4.73 107.32 102.24 2itc s GLY 109 Ca 0.22 -1.28 0.26 0.00 0.00 0.00 0.00 44.72 43.92 2itc s GLY 109 CO 0.10 -0.45 1.65 0.00 0.00 0.00 0.00 173.10 174.40 2itc n ALA 110 N -3.94 2.69 0.00 3.20 0.00 -1.26 -4.83 120.51 116.37 2itc n ALA 110 Ca 0.16 -0.16 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2itc n ALA 110 Cb 0.59 -1.33 0.00 0.00 0.00 0.00 0.00 19.45 18.71 2itc n ALA 110 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2itc n GLY 111 N 1.41 -0.90 3.10 0.00 0.00 -1.26 -4.99 105.19 102.55 2itc n GLY 111 Ca 0.05 -1.54 -0.32 0.00 0.00 0.00 0.00 46.02 44.21 2itc n GLY 111 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2itc s THR 112 N -3.13 1.94 -0.38 2.61 2.01 -0.45 -4.61 115.64 113.63 2itc s THR 112 Ca 0.00 -0.87 -0.29 0.00 0.31 0.00 0.00 61.69 60.85 2itc s THR 112 Cb 0.00 -1.76 0.02 0.00 0.01 0.00 0.00 72.50 70.77 2itc s THR 112 CO 0.00 0.52 1.09 -0.89 -0.69 0.00 0.00 174.62 174.65 2itc s THR 113 N 1.33 4.40 -0.21 -0.82 2.01 -0.17 -1.07 115.64 121.12 2itc s THR 113 Ca 0.05 1.50 -0.08 0.00 0.31 0.00 0.00 61.69 63.47 2itc s THR 113 Cb -0.13 -4.48 -0.04 0.00 0.01 0.00 0.00 72.50 67.86 2itc s THR 113 CO -0.12 -0.68 0.07 -0.69 -0.69 0.00 0.00 174.62 172.51 2itc s VAL 114 N 3.94 4.68 -0.15 3.82 1.01 0.28 -1.61 120.40 132.38 2itc s VAL 114 Ca 0.46 -0.06 0.02 0.00 0.00 0.00 0.00 61.98 62.40 2itc s VAL 114 Cb -0.10 -3.14 0.01 0.00 0.00 0.00 0.00 36.38 33.15 2itc s VAL 114 CO 0.22 0.41 -0.21 -0.89 0.00 0.00 0.00 175.10 174.62 2itc s THR 115 N 0.85 2.02 -0.41 3.92 2.01 -0.72 -1.07 115.64 122.23 2itc s THR 115 Ca 0.04 -0.94 -0.13 0.00 0.31 0.00 0.00 61.69 60.97 2itc s THR 115 Cb -0.14 -1.80 0.05 0.00 0.01 0.00 0.00 72.50 70.62 2itc s THR 115 CO 0.02 0.54 0.28 -0.69 -0.69 0.00 0.00 174.62 174.09 2itc s VAL 116 N 0.96 4.83 0.10 3.82 1.01 -1.25 -0.41 120.40 129.45 2itc s VAL 116 Ca -0.04 -0.96 -0.22 0.00 0.00 0.00 0.00 61.98 60.77 2itc s VAL 116 Cb -0.15 -3.78 0.06 0.00 0.00 0.00 0.00 36.38 32.50 2itc s VAL 116 CO -0.05 -0.38 0.53 -0.55 0.00 0.00 0.00 175.10 174.65 2itc s SER 117 N 1.92 -0.45 0.19 3.32 0.15 -0.11 -4.57 113.70 114.16 2itc s SER 117 Ca 0.03 0.03 0.17 0.00 0.70 0.00 0.00 55.95 56.88 2itc s SER 117 Cb -0.21 0.53 -0.01 0.00 -1.71 0.00 0.00 66.02 64.62 2itc s SER 117 CO 0.07 -0.83 1.16 0.28 1.20 0.00 0.00 173.24 175.11 2itc h SER 118 N 2.43 0.00 -2.88 5.45 0.02 -1.96 -3.31 113.55 113.31 2itc h SER 118 Ca -0.32 0.00 -0.51 0.00 -0.84 0.00 0.00 61.79 60.11 2itc h SER 118 Cb 1.25 0.00 0.22 0.00 0.14 0.00 0.00 62.40 64.02 2itc h SER 118 CO 0.41 0.45 -0.93 0.00 -1.14 0.00 0.00 176.83 175.62 2itc n ALA 119 N -2.28 -3.45 -2.87 3.77 0.00 -1.26 -5.00 120.51 109.42 2itc n ALA 119 Ca -0.03 -0.83 -0.27 0.00 0.00 0.00 0.00 53.44 52.31 2itc n ALA 119 Cb 0.74 -1.62 -0.04 0.00 0.00 0.00 0.00 19.45 18.53 2itc n ALA 119 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 2itc s LYS 120 N -3.36 3.17 0.43 0.00 2.47 -1.26 -5.03 119.74 116.17 2itc s LYS 120 Ca 0.54 -0.70 -0.25 0.00 -1.56 0.00 0.00 55.97 54.00 2itc s LYS 120 Cb -0.17 -2.82 -0.08 0.00 -1.46 0.00 0.00 37.83 33.30 2itc s LYS 120 CO 0.69 0.52 1.33 0.99 0.16 0.00 0.00 175.35 179.03 2itc s THR 121 N -1.69 2.47 -0.19 3.43 2.01 -1.26 -4.79 115.64 115.62 2itc s THR 121 Ca 0.33 0.41 -0.04 0.00 0.31 0.00 0.00 61.69 62.70 2itc s THR 121 Cb -0.11 -3.24 0.09 0.00 0.01 0.00 0.00 72.50 69.26 2itc s THR 121 CO 0.26 0.05 0.26 -0.89 -0.69 0.00 0.00 174.62 173.61 2itc s THR 122 N -1.28 -0.40 0.78 -0.82 2.01 0.74 -4.94 115.64 111.73 2itc s THR 122 Ca 0.60 -0.00 -0.13 0.00 0.31 0.00 0.00 61.69 62.46 2itc s THR 122 Cb -0.39 -0.64 0.07 0.00 0.01 0.00 0.00 72.50 71.55 2itc s THR 122 CO 0.49 -0.10 1.18 -2.16 -0.69 0.00 0.00 174.62 173.34 2itc s PRO 123 N 2.39 1.88 0.47 4.92 0.04 -1.26 -1.51 135.00 141.92 2itc s PRO 123 Ca 0.07 1.65 -0.10 0.00 0.04 0.00 0.00 61.00 62.65 2itc s PRO 123 Cb -0.15 -1.81 -0.05 0.00 0.04 0.00 0.00 34.50 32.52 2itc s PRO 123 CO -0.12 -2.01 0.83 -1.25 0.04 0.00 0.00 177.00 174.50 2itc s PRO 124 N -4.19 3.71 -0.23 0.56 0.04 -1.26 -4.36 135.00 129.27 2itc s PRO 124 Ca 0.71 0.49 -0.08 0.00 0.04 0.00 0.00 61.00 62.16 2itc s PRO 124 Cb -0.26 -2.31 -0.04 0.00 0.04 0.00 0.00 34.50 31.92 2itc s PRO 124 CO 0.49 -0.18 0.09 -1.12 0.04 0.00 0.00 177.00 176.32 2itc s SER 125 N -3.56 5.53 -0.25 6.66 0.01 -0.16 -4.93 113.70 117.00 2itc s SER 125 Ca 0.51 -0.04 -0.09 0.00 1.31 0.00 0.00 55.95 57.65 2itc s SER 125 Cb -0.10 -1.98 -0.04 0.00 0.21 0.00 0.00 66.02 64.10 2itc s SER 125 CO 0.38 0.06 0.12 -0.69 0.41 0.00 0.00 173.24 173.52 2itc s VAL 126 N 1.08 4.86 0.03 3.43 1.01 -1.26 -2.37 120.40 127.19 2itc s VAL 126 Ca 0.05 0.01 0.09 0.00 0.00 0.00 0.00 61.98 62.13 2itc s VAL 126 Cb -0.14 -3.28 -0.03 0.00 0.00 0.00 0.00 36.38 32.93 2itc s VAL 126 CO 0.04 0.32 -0.26 -0.31 0.00 0.00 0.00 175.10 174.89 2itc s TYR 127 N 1.44 2.32 0.74 5.22 2.02 -0.15 -4.95 117.35 123.98 2itc s TYR 127 Ca 0.06 -0.42 -0.11 0.00 -0.37 0.00 0.00 57.07 56.23 2itc s TYR 127 Cb -0.15 -1.41 0.04 0.00 -0.40 0.00 0.00 41.96 40.04 2itc s TYR 127 CO 0.06 0.09 1.08 -2.14 -1.57 0.00 0.00 175.55 173.07 2itc s PRO 128 N -1.12 2.55 -0.37 -1.71 0.02 -1.26 -0.03 135.00 133.07 2itc s PRO 128 Ca 0.11 0.89 0.01 0.00 0.02 0.00 0.00 61.00 62.03 2itc s PRO 128 Cb -0.10 -1.95 0.14 0.00 0.02 0.00 0.00 34.50 32.61 2itc s PRO 128 CO 0.01 -1.36 0.22 -0.51 -0.33 0.00 0.00 177.00 175.03 2itc s LEU 129 N -5.69 1.42 0.02 -5.54 1.43 0.40 -4.68 118.68 106.05 2itc s LEU 129 Ca 0.59 -2.29 0.04 0.00 -1.03 0.00 0.00 54.13 51.44 2itc s LEU 129 Cb -0.15 -0.56 -0.04 0.00 0.03 0.00 0.00 46.19 45.47 2itc s LEU 129 CO 0.55 -0.30 -0.06 0.00 0.23 0.00 0.00 176.35 176.77 2itc s ALA 130 N 0.89 3.06 0.68 4.21 0.00 -1.26 -2.45 121.76 126.90 2itc s ALA 130 Ca 0.18 -1.04 -0.17 0.00 0.00 0.00 0.00 51.96 50.93 2itc s ALA 130 Cb -0.23 -1.13 -0.04 0.00 0.00 0.00 0.00 23.12 21.71 2itc s ALA 130 CO 0.01 0.63 0.65 -2.30 0.00 0.00 0.00 175.76 174.74 2itc n PRO 131 N 1.37 0.43 -1.59 0.00 -0.02 -1.26 -4.90 135.00 129.02 2itc n PRO 131 Ca -0.15 0.19 -0.30 0.00 -2.02 0.00 0.00 63.50 61.22 2itc n PRO 131 Cb 0.52 -1.91 0.10 0.00 -0.02 0.00 0.00 33.50 32.19 2itc n PRO 131 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 2itc s GLY 132 N -1.43 1.61 0.54 -1.23 0.00 -1.26 -4.58 107.32 100.97 2itc s GLY 132 Ca 0.69 -0.33 0.30 0.00 0.00 0.00 0.00 44.72 45.37 2itc s GLY 132 CO 0.55 0.13 2.09 0.23 0.00 0.00 0.00 173.10 176.10 2itc h SER 133 N -1.18 0.00 -0.17 1.64 0.87 -1.96 -2.68 113.55 110.07 2itc h SER 133 Ca -0.48 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.08 2itc h SER 133 Cb 1.29 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.25 2itc h SER 133 CO 0.61 0.09 0.00 0.00 -0.53 0.00 0.00 176.83 177.00 2itc n ALA 134 N -2.23 2.49 -2.53 6.23 0.00 -1.26 -4.92 120.51 118.29 2itc n ALA 134 Ca -0.02 -0.69 -0.43 0.00 0.00 0.00 0.00 53.44 52.31 2itc n ALA 134 Cb 0.23 -0.97 -0.02 0.00 0.00 0.00 0.00 19.45 18.68 2itc n ALA 134 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2itc s ALA 135 N -1.79 3.53 -0.09 0.00 0.00 -1.01 -5.01 121.76 117.38 2itc s ALA 135 Ca 0.34 0.49 -0.26 0.00 0.00 0.00 0.00 51.96 52.53 2itc s ALA 135 Cb 0.20 -3.52 -0.02 0.00 0.00 0.00 0.00 23.12 19.78 2itc s ALA 135 CO 0.30 -0.83 0.85 1.14 0.00 0.00 0.00 175.76 177.22 2itc s GLN 136 N 2.51 4.41 0.10 0.00 1.03 -1.26 -4.94 119.66 121.51 2itc s GLN 136 Ca 0.53 1.11 -0.10 0.00 0.04 0.00 0.00 55.36 56.94 2itc s GLN 136 Cb -0.22 -3.51 -0.06 0.00 0.03 0.00 0.00 33.01 29.26 2itc s GLN 136 CO 0.18 -0.15 0.43 0.99 -2.54 0.00 0.00 175.29 174.20 2itc s THR 137 N 1.48 5.05 0.00 3.63 2.01 -1.26 -5.09 115.64 121.46 2itc s THR 137 Ca 0.42 0.50 0.00 0.00 0.31 0.00 0.00 61.69 62.92 2itc s THR 137 Cb -0.18 -3.66 0.00 0.00 0.01 0.00 0.00 72.50 68.67 2itc s THR 137 CO 0.18 0.26 0.00 -0.46 -0.69 0.00 0.00 174.62 173.92 2itc n ASN 138 N 0.84 0.00 0.00 3.53 6.94 -1.26 -4.94 115.26 120.36 2itc n ASN 138 Ca -0.07 0.00 0.13 0.00 -0.02 0.00 0.00 54.58 54.62 2itc n ASN 138 Cb 0.52 0.00 0.63 0.00 -2.36 0.00 0.00 39.78 38.57 2itc n ASN 138 CO 0.00 0.00 0.00 -1.54 -1.03 0.00 0.00 177.26 174.69 2itc n SER 139 N 0.00 0.00 -4.27 0.53 3.41 -1.26 -4.62 113.62 107.42 2itc n SER 139 Ca 0.00 0.13 -0.15 0.00 -0.26 0.00 0.00 58.87 58.60 2itc n SER 139 Cb 0.00 -0.37 -0.10 0.00 -0.26 0.00 0.00 64.21 63.48 2itc n SER 139 CO 0.00 0.00 0.00 -0.04 -0.16 0.00 0.00 175.04 174.84 2itc s MET 140 N -2.74 1.15 -0.01 4.33 -1.94 -1.26 -1.95 119.30 116.89 2itc s MET 140 Ca 0.21 -1.54 0.00 0.00 -1.71 0.00 0.00 55.69 52.65 2itc s MET 140 Cb 0.18 -0.47 0.01 0.00 2.01 0.00 0.00 34.83 36.55 2itc s MET 140 CO 0.44 -0.06 -0.01 0.54 -0.01 0.00 0.00 175.02 175.92 2itc s VAL 141 N -3.49 0.11 -0.19 -6.03 0.11 0.53 -4.41 120.40 107.03 2itc s VAL 141 Ca 0.23 -0.02 -0.05 0.00 -2.93 0.00 0.00 61.98 59.21 2itc s VAL 141 Cb 0.05 -0.13 -0.03 0.00 -1.53 0.00 0.00 36.38 34.74 2itc s VAL 141 CO 0.04 0.06 0.01 -0.89 -3.33 0.00 0.00 175.10 170.98 2itc s THR 142 N 0.22 4.08 0.23 5.04 2.01 -1.26 -2.11 115.64 123.85 2itc s THR 142 Ca -0.02 -0.27 0.00 0.00 0.31 0.00 0.00 61.69 61.71 2itc s THR 142 Cb -0.04 -2.84 -0.00 0.00 0.01 0.00 0.00 72.50 69.63 2itc s THR 142 CO -0.01 0.44 0.02 0.18 -0.69 0.00 0.00 174.62 174.56 2itc n LEU 143 N 4.06 0.00 0.00 4.42 4.77 -0.20 -4.62 117.00 125.43 2itc n LEU 143 Ca -0.17 -1.49 0.00 0.00 -0.03 0.00 0.00 56.01 54.32 2itc n LEU 143 Cb 0.52 0.25 0.00 0.00 -2.33 0.00 0.00 43.42 41.86 2itc n LEU 143 CO 0.32 -0.22 0.00 0.61 -1.33 0.00 0.00 177.39 176.78 2itc n GLY 144 N 1.83 -0.24 2.90 -0.72 0.00 -1.03 -1.91 105.19 106.02 2itc n GLY 144 Ca -0.08 -1.07 -0.13 0.00 0.00 0.00 0.00 46.02 44.73 2itc n GLY 144 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2itc s LEU 146 N 0.46 4.16 -0.35 0.00 2.96 0.96 -2.29 118.68 124.57 2itc s LEU 146 Ca -0.04 0.82 0.01 0.00 -0.22 0.00 0.00 54.13 54.70 2itc s LEU 146 Cb -0.05 -2.85 0.09 0.00 0.50 0.00 0.00 46.19 43.88 2itc s LEU 146 CO -0.02 -0.24 0.08 -0.69 -1.32 0.00 0.00 176.35 174.16 2itc s VAL 147 N 1.77 2.68 0.25 1.68 1.01 0.12 -0.98 120.40 126.92 2itc s VAL 147 Ca 0.28 -2.07 0.04 0.00 0.00 0.00 0.00 61.98 60.23 2itc s VAL 147 Cb -0.16 -2.83 -0.05 0.00 0.00 0.00 0.00 36.38 33.33 2itc s VAL 147 CO 0.10 -0.51 0.00 -1.59 0.00 0.00 0.00 175.10 173.10 2itc s LYS 148 N 1.04 1.40 -0.72 2.72 -2.85 -1.00 0.11 119.74 120.44 2itc s LYS 148 Ca 0.06 -1.72 -0.01 0.00 -1.00 0.00 0.00 55.97 53.30 2itc s LYS 148 Cb -0.20 -0.69 0.00 0.00 -2.06 0.00 0.00 37.83 34.88 2itc s LYS 148 CO -0.06 -0.10 0.18 0.41 0.10 0.00 0.00 175.35 175.88 2itc n GLY 149 N -0.47 0.10 3.57 0.59 0.00 -0.32 -0.99 105.19 107.67 2itc n GLY 149 Ca -0.05 -0.42 -0.24 0.00 0.00 0.00 0.00 46.02 45.31 2itc n GLY 149 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2itc s TYR 150 N -2.69 2.56 -0.28 1.61 -0.85 -1.03 -4.40 117.35 112.26 2itc s TYR 150 Ca 0.09 -0.26 -0.23 0.00 -0.52 0.00 0.00 57.07 56.15 2itc s TYR 150 Cb -0.04 -1.15 0.13 0.00 0.38 0.00 0.00 41.96 41.27 2itc s TYR 150 CO 0.11 0.62 1.02 0.12 -1.52 0.00 0.00 175.55 175.90 2itc s PHE 151 N -2.23 -0.50 0.10 -3.49 5.36 -0.57 0.64 117.98 117.29 2itc s PHE 151 Ca 0.29 1.16 0.01 0.00 -0.96 0.00 0.00 56.93 57.44 2itc s PHE 151 Cb -0.07 0.37 0.02 0.00 -0.34 0.00 0.00 43.02 43.00 2itc s PHE 151 CO 0.17 -0.24 0.14 -0.35 -1.46 0.00 0.00 175.22 173.48 2itc n PRO 152 N 2.53 0.85 -1.38 10.12 -0.04 -1.26 -0.19 135.00 145.62 2itc n PRO 152 Ca -0.14 -0.52 -0.32 0.00 -0.04 0.00 0.00 63.50 62.48 2itc n PRO 152 Cb 0.56 -0.06 0.09 0.00 -0.04 0.00 0.00 33.50 34.05 2itc n PRO 152 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 2itc s GLU 153 N -2.53 2.24 0.00 0.54 0.41 -1.26 -4.82 118.70 113.28 2itc s GLU 153 Ca 0.11 1.42 0.00 0.00 -0.41 0.00 0.00 54.97 56.08 2itc s GLU 153 Cb -0.01 -1.88 0.00 0.00 -1.78 0.00 0.00 34.13 30.46 2itc s GLU 153 CO 0.07 -1.69 0.00 -0.35 -0.49 0.00 0.00 175.26 172.80 2itc n PRO 154 N -3.09 2.50 -3.79 0.39 -0.04 -1.26 -4.88 135.00 124.84 2itc n PRO 154 Ca 0.11 0.00 -0.13 0.00 -0.04 0.00 0.00 63.50 63.44 2itc n PRO 154 Cb 0.52 0.00 -0.13 0.00 -0.04 0.00 0.00 33.50 33.85 2itc n PRO 154 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 2itc s VAL 155 N 0.24 -0.01 -0.21 0.52 -7.23 -1.26 -4.34 120.40 108.11 2itc s VAL 155 Ca 0.00 0.05 -0.07 0.00 -1.81 0.00 0.00 61.98 60.15 2itc s VAL 155 Cb 0.00 -0.28 -0.03 0.00 0.56 0.00 0.00 36.38 36.63 2itc s VAL 155 CO 0.00 0.02 0.05 -0.89 -0.31 0.00 0.00 175.10 173.97 2itc s THR 156 N 0.45 4.44 -0.18 5.32 2.01 -0.73 -4.96 115.64 122.00 2itc s THR 156 Ca -0.03 -0.14 -0.01 0.00 0.31 0.00 0.00 61.69 61.82 2itc s THR 156 Cb -0.04 -3.03 0.00 0.00 0.01 0.00 0.00 72.50 69.44 2itc s THR 156 CO -0.02 0.41 -0.13 -0.69 -0.69 0.00 0.00 174.62 173.50 2itc s VAL 157 N 0.89 2.72 0.21 3.82 1.01 -1.26 -1.57 120.40 126.22 2itc s VAL 157 Ca 0.03 -0.73 0.09 0.00 0.00 0.00 0.00 61.98 61.37 2itc s VAL 157 Cb -0.14 -2.18 -0.05 0.00 0.00 0.00 0.00 36.38 34.01 2itc s VAL 157 CO 0.02 0.49 -0.16 0.42 0.00 0.00 0.00 175.10 175.88 2itc s THR 158 N 1.17 1.87 -0.16 3.92 -4.23 -0.28 -4.94 115.64 112.99 2itc s THR 158 Ca 0.01 -2.19 -0.01 0.00 -1.18 0.00 0.00 61.69 58.33 2itc s THR 158 Cb -0.14 -2.04 -0.01 0.00 1.34 0.00 0.00 72.50 71.65 2itc s THR 158 CO -0.05 -0.51 -0.12 0.26 -0.54 0.00 0.00 174.62 173.66 2itc s TRP 159 N -2.71 2.84 -1.26 3.99 0.52 -1.25 0.94 118.94 121.99 2itc s TRP 159 Ca 0.22 -0.90 -0.00 0.00 0.02 0.00 0.00 56.10 55.45 2itc s TRP 159 Cb -0.02 -1.92 -0.00 0.00 -1.15 0.00 0.00 33.47 30.37 2itc s TRP 159 CO 0.08 -0.41 0.83 0.09 0.02 0.00 0.00 176.95 177.57 2itc n ASN 160 N 4.05 -1.57 -1.67 2.95 3.02 0.16 -1.53 115.26 120.67 2itc n ASN 160 Ca -0.19 -0.73 -0.21 0.00 -0.03 0.00 0.00 54.58 53.42 2itc n ASN 160 Cb 0.52 -4.54 -0.08 0.00 -0.61 0.00 0.00 39.78 35.06 2itc n ASN 160 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 2itc n SER 161 N -3.09 -5.54 0.00 6.41 7.64 -1.26 -1.64 113.62 116.14 2itc n SER 161 Ca -0.30 0.48 0.00 0.00 1.01 0.00 0.00 58.87 60.06 2itc n SER 161 Cb 0.67 -4.87 0.00 0.00 -1.01 0.00 0.00 64.21 59.01 2itc n SER 161 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2itc n GLY 162 N -0.44 1.51 0.30 0.23 0.00 -0.59 -4.92 105.19 101.29 2itc n GLY 162 Ca -0.21 0.00 0.20 0.00 0.00 0.00 0.00 46.02 46.01 2itc n GLY 162 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2itc h SER 163 N 0.00 0.00 -3.60 1.61 4.64 -1.21 -3.37 113.55 111.62 2itc h SER 163 Ca 0.00 0.00 -0.70 0.00 -0.47 0.00 0.00 61.79 60.62 2itc h SER 163 Cb 0.00 0.00 -0.31 0.00 -0.31 0.00 0.00 62.40 61.78 2itc h SER 163 CO 0.00 0.00 -0.59 -0.22 -0.87 0.00 0.00 176.83 175.15 2itc s LEU 164 N -6.02 4.64 -0.05 5.97 2.96 -0.71 -4.92 118.68 120.55 2itc s LEU 164 Ca -0.02 -1.50 -0.01 0.00 -0.22 0.00 0.00 54.13 52.38 2itc s LEU 164 Cb 0.11 -1.84 -0.03 0.00 0.50 0.00 0.00 46.19 44.93 2itc s LEU 164 CO 0.45 -0.41 -0.05 -0.24 -1.32 0.00 0.00 176.35 174.77 2itc n SER 165 N 4.72 2.37 -4.77 3.68 2.88 -1.26 -3.96 113.62 117.27 2itc n SER 165 Ca -0.09 0.01 -0.41 0.00 -1.33 0.00 0.00 58.87 57.05 2itc n SER 165 Cb 0.43 -0.11 -0.01 0.00 -0.75 0.00 0.00 64.21 63.77 2itc n SER 165 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 2itc s SER 166 N -4.88 6.53 -0.40 -3.46 1.04 -1.26 -2.86 113.70 108.41 2itc s SER 166 Ca -0.07 2.89 0.00 0.00 0.48 0.00 0.00 55.95 59.25 2itc s SER 166 Cb 0.02 -2.66 0.00 0.00 0.10 0.00 0.00 66.02 63.48 2itc s SER 166 CO 0.11 -0.73 0.00 0.61 0.98 0.00 0.00 173.24 174.21 2itc n GLY 167 N 0.66 0.59 3.54 7.32 0.00 -1.26 -4.67 105.19 111.37 2itc n GLY 167 Ca 0.01 -0.86 -0.34 0.00 0.00 0.00 0.00 46.02 44.82 2itc n GLY 167 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2itc s VAL 168 N -2.15 4.16 -0.09 1.61 1.01 -1.14 -1.64 120.40 122.15 2itc s VAL 168 Ca 0.00 -0.26 0.01 0.00 0.00 0.00 0.00 61.98 61.73 2itc s VAL 168 Cb 0.00 -2.84 0.02 0.00 0.00 0.00 0.00 36.38 33.56 2itc s VAL 168 CO 0.00 0.48 -0.11 -1.00 0.00 0.00 0.00 175.10 174.47 2itc s HIS 169 N 0.37 1.59 -0.19 5.22 3.76 0.83 -4.96 115.29 121.91 2itc s HIS 169 Ca -0.02 -0.71 -0.00 0.00 -0.15 0.00 0.00 55.06 54.18 2itc s HIS 169 Cb -0.14 -1.21 0.01 0.00 1.11 0.00 0.00 32.58 32.35 2itc s HIS 169 CO 0.02 -0.42 -0.15 0.99 -0.85 0.00 0.00 174.74 174.33 2itc s THR 170 N 1.15 2.48 0.35 1.30 2.01 -1.26 0.25 115.64 121.91 2itc s THR 170 Ca -0.05 -0.80 -0.24 0.00 0.31 0.00 0.00 61.69 60.91 2itc s THR 170 Cb -0.14 -2.07 -0.10 0.00 0.01 0.00 0.00 72.50 70.20 2itc s THR 170 CO -0.02 0.51 0.94 -0.36 -0.69 0.00 0.00 174.62 174.99 2itc s PHE 171 N 1.29 3.58 0.39 4.92 0.08 -0.25 -5.00 117.98 123.00 2itc s PHE 171 Ca 0.04 1.72 -0.27 0.00 0.12 0.00 0.00 56.93 58.54 2itc s PHE 171 Cb -0.14 -2.89 -0.11 0.00 -0.57 0.00 0.00 43.02 39.32 2itc s PHE 171 CO -0.09 0.12 1.37 -2.30 -0.10 0.00 0.00 175.22 174.22 2itc n PRO 172 N 0.21 2.26 -1.36 0.24 -0.02 -1.26 -4.42 135.00 130.65 2itc n PRO 172 Ca 0.03 0.80 -0.32 0.00 -2.02 0.00 0.00 63.50 61.99 2itc n PRO 172 Cb 0.51 -2.50 0.09 0.00 -0.02 0.00 0.00 33.50 31.59 2itc n PRO 172 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2itc s ALA 173 N -1.15 2.16 -0.05 3.55 0.00 -1.26 -4.82 121.76 120.19 2itc s ALA 173 Ca 0.57 0.56 0.04 0.00 0.00 0.00 0.00 51.96 53.13 2itc s ALA 173 Cb -0.50 -3.37 -0.00 0.00 0.00 0.00 0.00 23.12 19.25 2itc s ALA 173 CO 0.61 -1.81 -0.17 0.14 0.00 0.00 0.00 175.76 174.52 2itc s VAL 174 N -2.46 1.47 -0.19 0.00 -7.23 -0.86 -4.93 120.40 106.20 2itc s VAL 174 Ca 0.67 -0.73 -0.13 0.00 -1.81 0.00 0.00 61.98 59.98 2itc s VAL 174 Cb -0.22 -1.27 -0.05 0.00 0.56 0.00 0.00 36.38 35.41 2itc s VAL 174 CO 0.49 0.42 0.27 -0.22 -0.31 0.00 0.00 175.10 175.75 2itc s LEU 175 N 0.09 4.20 -0.19 1.32 2.96 -1.26 -2.51 118.68 123.29 2itc s LEU 175 Ca -0.05 0.41 -0.05 0.00 -0.22 0.00 0.00 54.13 54.22 2itc s LEU 175 Cb -0.12 -2.32 0.09 0.00 0.50 0.00 0.00 46.19 44.34 2itc s LEU 175 CO 0.03 0.07 0.34 -1.58 -1.32 0.00 0.00 176.35 173.89 2itc s GLN 176 N 0.71 0.26 -1.10 1.98 0.74 -0.71 -4.94 119.66 116.60 2itc s GLN 176 Ca 0.14 0.74 -0.07 0.00 0.05 0.00 0.00 55.36 56.23 2itc s GLN 176 Cb -0.13 -0.14 -0.05 0.00 1.10 0.00 0.00 33.01 33.80 2itc s GLN 176 CO 0.04 -0.40 0.90 0.45 -0.55 0.00 0.00 175.29 175.73 2itc n SER 177 N 5.37 -5.32 -1.67 6.67 2.88 -1.26 -2.77 113.62 117.52 2itc n SER 177 Ca -0.06 -0.74 -0.16 0.00 -1.33 0.00 0.00 58.87 56.58 2itc n SER 177 Cb 0.50 -4.87 -0.05 0.00 -0.75 0.00 0.00 64.21 59.03 2itc n SER 177 CO 0.00 0.00 0.00 -0.90 -1.23 0.00 0.00 175.04 172.91 2itc n ASP 178 N -3.12 -4.23 -3.91 -3.46 5.68 -1.26 -4.96 116.55 101.28 2itc n ASP 178 Ca -0.13 0.33 -0.11 0.00 -0.50 0.00 0.00 54.79 54.38 2itc n ASP 178 Cb 0.63 -3.79 -0.13 0.00 -1.14 0.00 0.00 41.12 36.69 2itc n ASP 178 CO 0.00 0.00 0.00 -0.76 -1.33 0.00 0.00 177.20 175.11 2itc s LEU 179 N -4.44 2.08 0.25 -2.12 1.43 -1.11 -4.80 118.68 109.96 2itc s LEU 179 Ca 0.00 -0.18 0.03 0.00 -1.03 0.00 0.00 54.13 52.95 2itc s LEU 179 Cb 0.00 0.05 -0.03 0.00 0.03 0.00 0.00 46.19 46.23 2itc s LEU 179 CO 0.00 -0.11 0.40 -0.31 0.23 0.00 0.00 176.35 176.56 2itc s TYR 180 N -0.54 3.47 -0.18 0.29 1.51 0.21 -1.73 117.35 120.37 2itc s TYR 180 Ca -0.06 0.10 -0.11 0.00 -1.01 0.00 0.00 57.07 55.99 2itc s TYR 180 Cb -0.04 -1.67 0.06 0.00 -0.11 0.00 0.00 41.96 40.20 2itc s TYR 180 CO -0.00 0.37 0.44 0.99 -1.11 0.00 0.00 175.55 176.23 2itc s THR 181 N -2.03 -0.02 0.10 -0.71 2.01 -1.04 -1.17 115.64 112.77 2itc s THR 181 Ca 0.36 0.07 -0.16 0.00 0.31 0.00 0.00 61.69 62.26 2itc s THR 181 Cb -0.09 -0.64 0.03 0.00 0.01 0.00 0.00 72.50 71.81 2itc s THR 181 CO 0.31 0.03 0.40 -1.48 -0.69 0.00 0.00 174.62 173.18 2itc s LEU 182 N 1.17 0.44 0.11 4.42 0.05 0.12 -2.03 118.68 122.96 2itc s LEU 182 Ca -0.08 -0.23 0.08 0.00 0.05 0.00 0.00 54.13 53.95 2itc s LEU 182 Cb -0.07 1.77 -0.04 0.00 -2.05 0.00 0.00 46.19 45.81 2itc s LEU 182 CO -0.10 -0.79 -0.19 -0.44 -0.55 0.00 0.00 176.35 174.28 2itc s SER 183 N -2.55 2.41 -0.03 1.48 0.01 -1.26 0.15 113.70 113.91 2itc s SER 183 Ca 0.00 -0.72 0.08 0.00 1.31 0.00 0.00 55.95 56.62 2itc s SER 183 Cb 0.01 -0.12 -0.02 0.00 0.21 0.00 0.00 66.02 66.10 2itc s SER 183 CO -0.09 0.01 -0.26 -0.55 0.41 0.00 0.00 173.24 172.76 2itc s SER 184 N -2.06 3.07 -0.01 2.44 0.15 -0.97 -1.09 113.70 115.23 2itc s SER 184 Ca 0.07 -0.47 0.04 0.00 0.70 0.00 0.00 55.95 56.29 2itc s SER 184 Cb -0.09 -0.43 -0.03 0.00 -1.71 0.00 0.00 66.02 63.76 2itc s SER 184 CO 0.04 0.31 -0.11 -0.55 1.20 0.00 0.00 173.24 174.13 2itc s SER 185 N -0.53 4.27 -0.03 5.45 0.15 0.70 -2.20 113.70 121.51 2itc s SER 185 Ca 0.08 -0.22 -0.01 0.00 0.70 0.00 0.00 55.95 56.50 2itc s SER 185 Cb -0.11 -0.91 0.02 0.00 -1.71 0.00 0.00 66.02 63.31 2itc s SER 185 CO -0.00 0.30 0.06 0.54 1.20 0.00 0.00 173.24 175.33 2itc s VAL 186 N -0.90 -0.03 -0.11 4.45 0.11 -0.80 -0.12 120.40 123.00 2itc s VAL 186 Ca 0.15 0.12 0.02 0.00 -2.93 0.00 0.00 61.98 59.33 2itc s VAL 186 Cb -0.11 -0.10 0.02 0.00 -1.53 0.00 0.00 36.38 34.65 2itc s VAL 186 CO 0.05 0.05 -0.15 -0.89 -3.33 0.00 0.00 175.10 170.83 2itc s THR 187 N 0.64 1.47 0.23 5.04 2.01 -0.65 -1.04 115.64 123.35 2itc s THR 187 Ca -0.05 -0.62 0.04 0.00 0.31 0.00 0.00 61.69 61.36 2itc s THR 187 Cb -0.07 -1.35 -0.05 0.00 0.01 0.00 0.00 72.50 71.03 2itc s THR 187 CO -0.02 0.44 -0.01 0.68 -0.69 0.00 0.00 174.62 175.02 2itc s VAL 188 N 1.04 1.07 0.22 3.82 -7.23 -0.90 -4.66 120.40 113.75 2itc s VAL 188 Ca -0.06 -2.04 -0.32 0.00 -1.81 0.00 0.00 61.98 57.76 2itc s VAL 188 Cb -0.15 -2.35 -0.12 0.00 0.56 0.00 0.00 36.38 34.33 2itc s VAL 188 CO -0.02 -0.33 1.71 -2.65 -0.31 0.00 0.00 175.10 173.50 2itc n PRO 189 N -0.43 2.76 -0.26 4.82 -0.02 -1.26 -0.35 135.00 140.26 2itc n PRO 189 Ca -0.05 0.99 0.30 0.00 -2.02 0.00 0.00 63.50 62.72 2itc n PRO 189 Cb 0.64 -2.83 0.69 0.00 -0.02 0.00 0.00 33.50 31.97 2itc n PRO 189 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 2itc h SER 190 N 6.57 0.10 -0.30 2.55 4.64 -1.60 -0.91 113.55 124.60 2itc h SER 190 Ca -0.43 0.02 -0.17 0.00 -0.47 0.00 0.00 61.79 60.74 2itc h SER 190 Cb 1.21 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.29 2itc h SER 190 CO 0.94 0.02 -0.44 0.77 -0.87 0.00 0.00 176.83 177.25 2itc h SER 191 N 0.09 0.94 0.46 4.97 4.64 -1.88 -3.19 113.55 119.57 2itc h SER 191 Ca 0.51 -0.45 0.00 0.00 -0.47 0.00 0.00 61.79 61.38 2itc h SER 191 Cb 1.87 -0.27 0.00 0.00 -0.31 0.00 0.00 62.40 63.69 2itc h SER 191 CO -0.07 1.24 0.00 -1.54 -0.87 0.00 0.00 176.83 175.59 2itc n SER 192 N -4.03 0.62 -4.33 4.97 3.41 -0.35 -4.57 113.62 109.33 2itc n SER 192 Ca -0.03 0.70 -0.31 0.00 -0.26 0.00 0.00 58.87 58.97 2itc n SER 192 Cb 0.57 -0.81 -0.16 0.00 -0.26 0.00 0.00 64.21 63.55 2itc n SER 192 CO 0.00 0.00 0.00 0.86 -0.16 0.00 0.00 175.04 175.74 2itc s TRP 193 N -3.40 2.37 -2.17 7.33 -0.00 -1.21 0.72 118.94 122.58 2itc s TRP 193 Ca 0.02 -0.41 0.18 0.00 -0.00 0.00 0.00 56.10 55.89 2itc s TRP 193 Cb 0.08 -1.50 0.73 0.00 -0.00 0.00 0.00 33.47 32.78 2itc s TRP 193 CO 0.32 0.01 1.52 -0.35 -0.00 0.00 0.00 176.95 178.44 2itc n PRO 194 N 2.33 1.55 -0.25 5.86 -0.04 -1.26 -4.92 135.00 138.27 2itc n PRO 194 Ca -0.16 -0.84 0.06 0.00 -0.04 0.00 0.00 63.50 62.52 2itc n PRO 194 Cb 0.51 -1.34 0.18 0.00 -0.04 0.00 0.00 33.50 32.81 2itc n PRO 194 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 2itc h SER 195 N 1.63 -0.20 -3.71 3.54 4.64 -1.79 -3.34 113.55 114.33 2itc h SER 195 Ca 0.00 0.18 -0.64 0.00 -0.47 0.00 0.00 61.79 60.86 2itc h SER 195 Cb 0.36 0.29 -0.19 0.00 -0.31 0.00 0.00 62.40 62.55 2itc h SER 195 CO 0.00 -0.13 -0.56 -1.61 -0.87 0.00 0.00 176.83 173.66 2itc s GLU 196 N -6.08 3.86 0.72 4.77 2.02 0.22 -5.07 118.70 119.14 2itc s GLU 196 Ca -0.13 -0.37 -0.16 0.00 0.02 0.00 0.00 54.97 54.33 2itc s GLU 196 Cb 0.22 -3.48 0.01 0.00 0.10 0.00 0.00 34.13 30.99 2itc s GLU 196 CO 0.75 -0.11 1.04 -2.37 0.02 0.00 0.00 175.26 174.59 2itc n THR 197 N 4.76 3.01 -3.66 3.63 5.66 -1.25 -4.51 114.28 121.92 2itc n THR 197 Ca -0.15 -0.37 -0.20 0.00 -3.05 0.00 0.00 64.05 60.28 2itc n THR 197 Cb 0.52 -1.16 -0.17 0.00 -1.55 0.00 0.00 70.33 67.96 2itc n THR 197 CO 0.00 0.00 0.00 -0.69 -3.05 0.00 0.00 175.07 171.33 2itc s VAL 198 N -1.79 -0.15 -0.01 1.08 1.01 -1.26 -5.02 120.40 114.25 2itc s VAL 198 Ca 0.75 0.36 0.02 0.00 0.00 0.00 0.00 61.98 63.10 2itc s VAL 198 Cb -0.34 -0.23 -0.00 0.00 0.00 0.00 0.00 36.38 35.80 2itc s VAL 198 CO 0.49 0.13 -0.06 -0.89 0.00 0.00 0.00 175.10 174.77 2itc s THR 199 N 2.20 0.52 -0.20 3.92 2.01 -1.26 -0.73 115.64 122.11 2itc s THR 199 Ca 0.04 -0.26 -0.09 0.00 0.31 0.00 0.00 61.69 61.69 2itc s THR 199 Cb -0.12 -0.46 -0.05 0.00 0.01 0.00 0.00 72.50 71.88 2itc s THR 199 CO -0.04 0.16 0.11 0.00 -0.69 0.00 0.00 174.62 174.16 2itc s ASN 201 N 0.53 5.34 -0.29 0.00 -0.87 0.27 -2.34 114.94 117.58 2itc s ASN 201 Ca 0.06 -0.26 -0.03 0.00 -1.57 0.00 0.00 52.86 51.07 2itc s ASN 201 Cb -0.12 -1.97 0.03 0.00 -0.02 0.00 0.00 41.25 39.18 2itc s ASN 201 CO 0.00 -0.07 0.00 -0.69 -2.57 0.00 0.00 177.10 173.77 2itc s VAL 202 N 1.63 3.18 -0.12 1.60 1.01 -0.26 -1.13 120.40 126.31 2itc s VAL 202 Ca 0.06 -1.13 -0.05 0.00 0.00 0.00 0.00 61.98 60.87 2itc s VAL 202 Cb -0.16 -2.72 -0.04 0.00 0.00 0.00 0.00 36.38 33.46 2itc s VAL 202 CO 0.05 0.02 0.05 0.00 0.00 0.00 0.00 175.10 175.22 2itc s ALA 203 N 1.33 3.44 -0.45 5.51 0.00 -0.61 -1.12 121.76 129.86 2itc s ALA 203 Ca -0.02 -0.75 0.03 0.00 0.00 0.00 0.00 51.96 51.22 2itc s ALA 203 Cb -0.18 -1.72 0.13 0.00 0.00 0.00 0.00 23.12 21.34 2itc s ALA 203 CO -0.01 0.46 0.22 -1.58 0.00 0.00 0.00 175.76 174.84 2itc s HIS 204 N -0.49 2.68 0.32 0.00 2.46 0.21 -1.77 115.29 118.70 2itc s HIS 204 Ca 0.10 -2.77 0.09 0.00 0.47 0.00 0.00 55.06 52.95 2itc s HIS 204 Cb -0.12 -2.39 0.91 0.00 -0.13 0.00 0.00 32.58 30.85 2itc s HIS 204 CO 0.02 -0.79 1.68 -1.35 -2.47 0.00 0.00 174.74 171.84 2itc h PRO 205 N 6.82 0.38 0.00 2.88 0.11 -1.78 -1.69 132.00 138.71 2itc h PRO 205 Ca -0.05 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 66.02 2itc h PRO 205 Cb 0.93 -0.09 -0.00 0.00 0.11 0.00 0.00 31.00 31.95 2itc h PRO 205 CO 0.58 0.25 -0.06 0.00 -0.21 0.00 0.00 178.00 178.56 2itc h ALA 206 N 1.78 1.89 -0.14 -0.75 0.00 -1.86 -2.34 119.26 117.85 2itc h ALA 206 Ca 0.65 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.51 2itc h ALA 206 Cb 1.36 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.14 2itc h ALA 206 CO -0.57 0.07 0.00 -1.13 0.00 0.00 0.00 179.25 177.63 2itc n SER 207 N -4.45 2.46 -3.25 0.00 3.41 -0.70 -4.97 113.62 106.11 2itc n SER 207 Ca -0.03 -1.71 -0.23 0.00 -0.26 0.00 0.00 58.87 56.64 2itc n SER 207 Cb 0.14 -0.08 0.04 0.00 -0.26 0.00 0.00 64.21 64.05 2itc n SER 207 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 2itc n SER 208 N 0.79 -5.87 -4.40 4.04 7.64 -0.80 -4.98 113.62 110.04 2itc n SER 208 Ca 0.10 -0.39 -0.28 0.00 1.01 0.00 0.00 58.87 59.31 2itc n SER 208 Cb 0.39 -4.71 -0.12 0.00 -1.01 0.00 0.00 64.21 58.75 2itc n SER 208 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 2itc s THR 209 N -3.20 2.30 -0.22 0.44 -4.23 -1.06 -5.00 115.64 104.67 2itc s THR 209 Ca 0.40 -1.87 -0.05 0.00 -1.18 0.00 0.00 61.69 59.00 2itc s THR 209 Cb -0.18 -2.05 0.11 0.00 1.34 0.00 0.00 72.50 71.72 2itc s THR 209 CO 0.50 0.01 0.42 -0.75 -0.54 0.00 0.00 174.62 174.26 2itc s LYS 210 N -2.30 0.35 0.22 3.99 2.20 -1.26 0.64 119.74 123.58 2itc s LYS 210 Ca 0.17 0.85 0.11 0.00 -0.36 0.00 0.00 55.97 56.74 2itc s LYS 210 Cb -0.09 0.05 -0.05 0.00 -1.51 0.00 0.00 37.83 36.23 2itc s LYS 210 CO 0.08 -0.42 -0.21 0.14 -0.36 0.00 0.00 175.35 174.57 2itc s VAL 211 N 2.61 2.50 0.16 4.02 -7.23 -0.27 -4.96 120.40 117.23 2itc s VAL 211 Ca 0.05 -2.09 0.10 0.00 -1.81 0.00 0.00 61.98 58.24 2itc s VAL 211 Cb -0.14 -2.24 -0.04 0.00 0.56 0.00 0.00 36.38 34.53 2itc s VAL 211 CO -0.15 -0.20 -0.20 -1.81 -0.31 0.00 0.00 175.10 172.44 2itc s ASP 212 N -2.93 3.70 -0.20 4.85 1.01 -1.26 -1.11 116.67 120.73 2itc s ASP 212 Ca 0.24 -0.70 -0.04 0.00 0.71 0.00 0.00 52.55 52.76 2itc s ASP 212 Cb -0.07 -0.42 0.10 0.00 1.01 0.00 0.00 42.92 43.53 2itc s ASP 212 CO 0.12 0.14 0.24 -0.75 0.21 0.00 0.00 175.17 175.13 2itc s LYS 213 N -2.44 0.20 0.25 8.23 2.47 -0.99 -5.01 119.74 122.46 2itc s LYS 213 Ca 0.20 0.28 -0.30 0.00 -1.56 0.00 0.00 55.97 54.59 2itc s LYS 213 Cb -0.09 -1.04 -0.09 0.00 -1.46 0.00 0.00 37.83 35.15 2itc s LYS 213 CO 0.10 -0.63 1.09 0.21 0.16 0.00 0.00 175.35 176.29 2itc s LYS 214 N 2.36 4.64 -0.46 4.03 2.20 -1.26 -2.24 119.74 129.00 2itc s LYS 214 Ca 0.07 1.77 -0.13 0.00 -0.36 0.00 0.00 55.97 57.32 2itc s LYS 214 Cb -0.15 -3.22 0.08 0.00 -1.51 0.00 0.00 37.83 33.03 2itc s LYS 214 CO -0.12 0.19 0.36 0.42 -0.36 0.00 0.00 175.35 175.84 2itc s ILE 215 N -0.92 4.90 0.13 5.43 -1.09 0.09 -4.93 121.20 124.81 2itc s ILE 215 Ca 0.46 -1.21 0.08 0.00 -2.23 0.00 0.00 60.65 57.74 2itc s ILE 215 Cb -0.31 -3.97 -0.04 0.00 -1.58 0.00 0.00 42.46 36.56 2itc s ILE 215 CO 0.39 -0.58 -0.13 0.68 -1.23 0.00 0.00 174.94 174.07 2itc s VAL 216 N 1.57 3.15 0.63 2.92 -7.23 -1.26 -4.61 120.40 115.57 2itc s VAL 216 Ca 0.04 -1.45 -0.18 0.00 -1.81 0.00 0.00 61.98 58.58 2itc s VAL 216 Cb -0.24 -2.49 -0.02 0.00 0.56 0.00 0.00 36.38 34.19 2itc s VAL 216 CO 0.05 0.05 1.16 -0.81 -0.31 0.00 0.00 175.10 175.24 2itc n PRO 217 N 0.56 1.02 -1.87 4.82 -0.04 -1.26 -4.82 135.00 133.41 2itc n PRO 217 Ca -0.13 0.40 -0.37 0.00 -0.04 0.00 0.00 63.50 63.36 2itc n PRO 217 Cb 0.53 -2.39 0.05 0.00 -0.04 0.00 0.00 33.50 31.65 2itc n PRO 217 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 2itc s ARG 218 N -3.14 2.78 0.00 0.54 0.52 -1.26 -5.12 118.95 113.26 2itc s ARG 218 Ca 0.80 1.97 0.00 0.00 -0.52 0.00 0.00 55.73 57.98 2itc s ARG 218 Cb -0.39 -1.91 0.00 0.00 0.52 0.00 0.00 34.95 33.17 2itc s ARG 218 CO 0.43 -1.39 0.08 -0.40 0.02 0.00 0.00 175.30 174.03