#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1tet s ILE 2 N 0.00 5.31 0.01 1.69 1.01 -1.26 -4.17 121.20 123.79 1tet s ILE 2 Ca 0.00 0.42 0.01 0.00 0.00 0.00 0.00 60.65 61.08 1tet s ILE 2 Cb 0.00 -3.59 -0.01 0.00 0.01 0.00 0.00 42.46 38.87 1tet s ILE 2 CO 0.00 0.34 -0.03 -1.10 0.00 0.00 0.00 174.94 174.15 1tet s GLN 3 N 0.88 0.26 -0.41 2.79 -0.21 -0.46 -4.99 119.66 117.53 1tet s GLN 3 Ca 0.13 -0.36 0.02 0.00 0.02 0.00 0.00 55.36 55.17 1tet s GLN 3 Cb -0.13 -0.08 0.12 0.00 1.00 0.00 0.00 33.01 33.92 1tet s GLN 3 CO 0.04 0.01 0.19 -0.51 -2.12 0.00 0.00 175.29 172.90 1tet s LEU 4 N -0.77 3.10 -0.06 2.90 1.43 -1.26 -0.73 118.68 123.30 1tet s LEU 4 Ca -0.07 -2.41 -0.16 0.00 -1.03 0.00 0.00 54.13 50.47 1tet s LEU 4 Cb -0.05 -1.16 -0.05 0.00 0.03 0.00 0.00 46.19 44.95 1tet s LEU 4 CO -0.00 -0.31 0.41 -0.69 0.23 0.00 0.00 176.35 175.99 1tet s VAL 5 N 0.61 5.12 0.24 -1.59 1.01 -0.57 -2.27 120.40 122.94 1tet s VAL 5 Ca 0.15 0.83 0.09 0.00 0.00 0.00 0.00 61.98 63.05 1tet s VAL 5 Cb -0.22 -3.73 -0.04 0.00 0.00 0.00 0.00 36.38 32.38 1tet s VAL 5 CO -0.06 0.48 -0.03 -1.10 0.00 0.00 0.00 175.10 174.38 1tet s GLN 6 N -0.35 2.23 1.09 2.72 -0.21 -1.26 -1.19 119.66 122.70 1tet s GLN 6 Ca 0.23 -1.36 -0.13 0.00 0.02 0.00 0.00 55.36 54.12 1tet s GLN 6 Cb -0.16 -2.17 0.24 0.00 1.00 0.00 0.00 33.01 31.92 1tet s GLN 6 CO 0.11 0.39 1.06 -1.54 -2.12 0.00 0.00 175.29 173.19 1tet s SER 7 N -3.40 1.74 0.78 5.90 1.04 -1.16 -4.91 113.70 113.70 1tet s SER 7 Ca 0.29 1.27 -0.04 0.00 0.48 0.00 0.00 55.95 57.95 1tet s SER 7 Cb -0.07 -1.99 0.15 0.00 0.10 0.00 0.00 66.02 64.21 1tet s SER 7 CO 0.19 -3.69 0.98 0.61 0.98 0.00 0.00 173.24 172.30 1tet n GLY 8 N -0.27 0.10 3.72 7.32 0.00 -1.26 -4.45 105.19 110.36 1tet n GLY 8 Ca 0.04 -1.94 -0.43 0.00 0.00 0.00 0.00 46.02 43.69 1tet n GLY 8 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1tet n PRO 9 N -2.89 2.48 -5.04 1.61 -0.04 -1.26 -4.66 135.00 125.20 1tet n PRO 9 Ca 0.15 0.88 -0.30 0.00 -0.04 0.00 0.00 63.50 64.19 1tet n PRO 9 Cb 0.53 -2.61 -0.15 0.00 -0.04 0.00 0.00 33.50 31.23 1tet n PRO 9 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 1tet s GLU 10 N -0.68 1.92 -0.13 0.54 0.41 -0.42 -4.99 118.70 115.35 1tet s GLU 10 Ca 0.64 -1.05 0.02 0.00 -0.41 0.00 0.00 54.97 54.17 1tet s GLU 10 Cb -0.54 -2.01 0.00 0.00 -1.78 0.00 0.00 34.13 29.80 1tet s GLU 10 CO 0.51 0.53 -0.20 -1.17 -0.49 0.00 0.00 175.26 174.44 1tet s LEU 11 N -1.03 2.26 0.06 1.80 2.96 -1.26 -1.59 118.68 121.88 1tet s LEU 11 Ca 0.11 -0.52 0.04 0.00 -0.22 0.00 0.00 54.13 53.54 1tet s LEU 11 Cb -0.10 -1.48 -0.03 0.00 0.50 0.00 0.00 46.19 45.08 1tet s LEU 11 CO 0.01 0.12 -0.12 -0.54 -1.32 0.00 0.00 176.35 174.50 1tet s LYS 12 N 0.58 0.75 0.32 1.98 -0.14 -0.14 -4.97 119.74 118.12 1tet s LYS 12 Ca -0.12 -0.91 -0.13 0.00 -1.36 0.00 0.00 55.97 53.45 1tet s LYS 12 Cb -0.16 -0.68 -0.08 0.00 -1.68 0.00 0.00 37.83 35.22 1tet s LYS 12 CO 0.04 0.15 0.71 0.99 -0.76 0.00 0.00 175.35 176.47 1tet s THR 13 N -1.34 4.75 0.11 2.17 2.01 -1.26 -0.67 115.64 121.42 1tet s THR 13 Ca -0.04 0.77 -0.31 0.00 0.31 0.00 0.00 61.69 62.42 1tet s THR 13 Cb -0.10 -3.64 -0.10 0.00 0.01 0.00 0.00 72.50 68.67 1tet s THR 13 CO 0.02 -0.24 1.81 -2.84 -0.69 0.00 0.00 174.62 172.67 1tet s PRO 14 N -3.16 4.14 0.00 4.92 0.02 -1.26 -2.73 135.00 136.93 1tet s PRO 14 Ca 0.52 2.56 0.00 0.00 0.02 0.00 0.00 61.00 64.10 1tet s PRO 14 Cb -0.10 -3.61 0.00 0.00 0.02 0.00 0.00 34.50 30.80 1tet s PRO 14 CO 0.21 -0.83 0.00 0.41 -0.33 0.00 0.00 177.00 176.46 1tet n GLY 15 N 4.21 2.35 3.61 0.52 0.00 0.69 -4.87 105.19 111.70 1tet n GLY 15 Ca 0.18 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.89 1tet n GLY 15 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1tet s GLU 16 N -0.37 -1.10 -0.03 1.61 8.01 -1.11 -4.09 118.70 121.63 1tet s GLU 16 Ca 0.00 -0.08 0.04 0.00 0.01 0.00 0.00 54.97 54.93 1tet s GLU 16 Cb 0.00 -1.61 -0.00 0.00 -4.31 0.00 0.00 34.13 28.20 1tet s GLU 16 CO 0.00 -3.63 -0.13 0.99 0.01 0.00 0.00 175.26 172.50 1tet s THR 17 N -3.06 1.09 0.14 3.63 2.01 -1.26 -1.24 115.64 116.95 1tet s THR 17 Ca 0.71 -0.55 0.07 0.00 0.31 0.00 0.00 61.69 62.23 1tet s THR 17 Cb -0.09 -0.94 -0.04 0.00 0.01 0.00 0.00 72.50 71.44 1tet s THR 17 CO 0.56 0.32 -0.17 0.68 -0.69 0.00 0.00 174.62 175.32 1tet s VAL 18 N -0.02 1.62 -0.03 3.82 -7.23 -0.90 -5.01 120.40 112.65 1tet s VAL 18 Ca -0.01 -1.79 0.02 0.00 -1.81 0.00 0.00 61.98 58.39 1tet s VAL 18 Cb -0.09 -1.68 0.01 0.00 0.56 0.00 0.00 36.38 35.18 1tet s VAL 18 CO 0.01 -0.32 -0.06 -0.60 -0.31 0.00 0.00 175.10 173.81 1tet s ARG 19 N -2.63 0.82 -0.17 4.82 3.52 -1.26 -1.46 118.95 122.60 1tet s ARG 19 Ca 0.12 -0.19 0.01 0.00 -0.13 0.00 0.00 55.73 55.54 1tet s ARG 19 Cb -0.06 -0.79 0.02 0.00 -1.56 0.00 0.00 34.95 32.56 1tet s ARG 19 CO 0.05 0.02 -0.19 0.42 -0.81 0.00 0.00 175.30 174.79 1tet s ILE 20 N 0.49 1.95 0.22 4.11 1.01 0.09 -4.96 121.20 124.11 1tet s ILE 20 Ca -0.07 -0.87 -0.08 0.00 0.00 0.00 0.00 60.65 59.63 1tet s ILE 20 Cb -0.11 -1.77 -0.07 0.00 0.01 0.00 0.00 42.46 40.53 1tet s ILE 20 CO 0.00 0.52 0.51 -0.94 0.00 0.00 0.00 174.94 175.04 1tet s SER 21 N 1.29 6.57 -0.29 3.58 1.04 -1.26 -1.71 113.70 122.91 1tet s SER 21 Ca 0.04 0.81 -0.00 0.00 0.48 0.00 0.00 55.95 57.28 1tet s SER 21 Cb -0.13 -2.18 0.09 0.00 0.10 0.00 0.00 66.02 63.90 1tet s SER 21 CO -0.11 -0.07 0.07 0.00 0.98 0.00 0.00 173.24 174.11 1tet s LYS 23 N 1.55 4.05 -0.17 0.00 2.20 -0.33 -0.73 119.74 126.31 1tet s LYS 23 Ca 0.07 -0.28 -0.07 0.00 -0.36 0.00 0.00 55.97 55.33 1tet s LYS 23 Cb -0.18 -3.50 -0.04 0.00 -1.51 0.00 0.00 37.83 32.61 1tet s LYS 23 CO -0.20 0.08 0.06 0.00 -0.36 0.00 0.00 175.35 174.93 1tet s ALA 24 N 0.99 3.41 0.02 3.13 0.00 0.94 -1.51 121.76 128.72 1tet s ALA 24 Ca 0.07 -0.74 0.02 0.00 0.00 0.00 0.00 51.96 51.31 1tet s ALA 24 Cb -0.13 -1.88 -0.01 0.00 0.00 0.00 0.00 23.12 21.09 1tet s ALA 24 CO 0.04 0.23 -0.08 -1.54 0.00 0.00 0.00 175.76 174.41 1tet s SER 25 N 0.21 0.91 0.00 0.00 1.04 0.09 -4.81 113.70 111.14 1tet s SER 25 Ca 0.04 -0.31 0.00 0.00 0.48 0.00 0.00 55.95 56.16 1tet s SER 25 Cb -0.12 -0.05 0.00 0.00 0.10 0.00 0.00 66.02 65.95 1tet s SER 25 CO 0.00 -0.02 0.00 0.61 0.98 0.00 0.00 173.24 174.81 1tet n GLY 26 N 2.29 0.67 3.36 7.32 0.00 -1.26 -1.35 105.19 116.23 1tet n GLY 26 Ca -0.17 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.74 1tet n GLY 26 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1tet s TYR 27 N -2.00 -0.30 -0.55 1.61 1.13 -1.26 -4.67 117.35 111.32 1tet s TYR 27 Ca 0.00 0.01 -0.28 0.00 -1.41 0.00 0.00 57.07 55.39 1tet s TYR 27 Cb 0.00 0.36 0.00 0.00 -1.10 0.00 0.00 41.96 41.22 1tet s TYR 27 CO 0.00 -0.76 1.58 0.99 -2.51 0.00 0.00 175.55 174.85 1tet s THR 28 N -3.79 3.63 0.31 -3.49 2.01 -1.26 -4.92 115.64 108.13 1tet s THR 28 Ca 0.03 0.52 0.06 0.00 0.31 0.00 0.00 61.69 62.61 1tet s THR 28 Cb 0.01 -4.21 0.38 0.00 0.01 0.00 0.00 72.50 68.68 1tet s THR 28 CO -0.12 -1.02 1.47 0.33 -0.69 0.00 0.00 174.62 174.60 1tet n PHE 29 N 10.46 0.73 1.50 4.92 7.35 -1.26 -1.97 117.46 139.19 1tet n PHE 29 Ca 0.16 1.12 0.00 0.00 -0.76 0.00 0.00 57.45 57.97 1tet n PHE 29 Cb 0.50 -1.28 0.00 0.00 0.35 0.00 0.00 39.48 39.04 1tet n PHE 29 CO 0.00 0.00 0.00 0.25 -0.76 0.00 0.00 176.76 176.25 1tet n THR 30 N -5.31 0.00 0.35 -2.13 -2.24 -1.26 -3.73 114.28 99.95 1tet n THR 30 Ca 0.26 0.00 0.05 0.00 -2.27 0.00 0.00 64.05 62.08 1tet n THR 30 Cb 0.85 -0.16 -0.06 0.00 -2.10 0.00 0.00 70.33 68.85 1tet n THR 30 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1tet n THR 31 N -0.35 0.00 -5.21 4.28 -2.24 -0.83 -4.11 114.28 105.82 1tet n THR 31 Ca 0.00 -0.26 -0.32 0.00 -2.27 0.00 0.00 64.05 61.21 1tet n THR 31 Cb 0.06 0.81 -0.16 0.00 -2.10 0.00 0.00 70.33 68.94 1tet n THR 31 CO 0.00 0.00 0.00 -0.31 -0.57 0.00 0.00 175.07 174.19 1tet s TYR 32 N -2.16 2.45 0.49 4.78 1.51 -1.24 -5.06 117.35 118.12 1tet s TYR 32 Ca 0.02 -0.52 -0.21 0.00 -1.01 0.00 0.00 57.07 55.35 1tet s TYR 32 Cb 0.07 -1.57 -0.07 0.00 -0.11 0.00 0.00 41.96 40.28 1tet s TYR 32 CO 0.42 -0.08 1.14 0.20 -1.11 0.00 0.00 175.55 176.11 1tet s GLY 33 N -0.41 2.70 -0.14 0.71 0.00 -1.21 -4.38 107.32 104.58 1tet s GLY 33 Ca 0.04 0.86 -0.02 0.00 0.00 0.00 0.00 44.72 45.59 1tet s GLY 33 CO 0.01 1.26 -0.05 1.06 0.00 0.00 0.00 173.10 175.38 1tet s MET 34 N -2.98 3.46 0.27 2.90 -1.94 -0.66 -1.74 119.30 118.61 1tet s MET 34 Ca 0.68 -0.54 0.07 0.00 -1.71 0.00 0.00 55.69 54.18 1tet s MET 34 Cb -0.25 -2.82 -0.03 0.00 2.01 0.00 0.00 34.83 33.74 1tet s MET 34 CO 0.30 0.32 0.27 -1.12 -0.01 0.00 0.00 175.02 174.78 1tet s SER 35 N 0.12 5.71 -0.07 3.03 0.01 0.71 -0.74 113.70 122.48 1tet s SER 35 Ca -0.02 -0.20 0.02 0.00 1.31 0.00 0.00 55.95 57.06 1tet s SER 35 Cb -0.14 -1.44 0.01 0.00 0.21 0.00 0.00 66.02 64.66 1tet s SER 35 CO 0.03 -0.12 -0.13 0.26 0.41 0.00 0.00 173.24 173.69 1tet s TRP 36 N -2.12 1.53 0.00 2.43 0.52 -1.00 -0.53 118.94 119.77 1tet s TRP 36 Ca 0.35 -0.57 0.01 0.00 0.02 0.00 0.00 56.10 55.90 1tet s TRP 36 Cb -0.08 -1.11 -0.00 0.00 -1.15 0.00 0.00 33.47 31.12 1tet s TRP 36 CO 0.27 -0.29 -0.02 0.54 0.02 0.00 0.00 176.95 177.46 1tet s VAL 37 N 0.67 0.16 -0.14 4.03 0.11 -0.40 -0.77 120.40 124.05 1tet s VAL 37 Ca -0.14 -0.14 -0.06 0.00 -2.93 0.00 0.00 61.98 58.70 1tet s VAL 37 Cb -0.16 -0.15 -0.04 0.00 -1.53 0.00 0.00 36.38 34.50 1tet s VAL 37 CO 0.04 0.01 0.08 -0.75 -3.33 0.00 0.00 175.10 171.15 1tet s LYS 38 N -0.14 3.58 -0.27 1.54 2.20 -0.54 -0.20 119.74 125.90 1tet s LYS 38 Ca -0.00 -0.27 0.01 0.00 -0.36 0.00 0.00 55.97 55.35 1tet s LYS 38 Cb -0.01 -3.13 0.08 0.00 -1.51 0.00 0.00 37.83 33.25 1tet s LYS 38 CO -0.00 0.56 -0.00 -1.14 -0.36 0.00 0.00 175.35 174.40 1tet s GLN 39 N -0.42 1.43 -0.02 4.03 0.74 -0.23 -0.60 119.66 124.59 1tet s GLN 39 Ca 0.10 -1.23 -0.22 0.00 0.05 0.00 0.00 55.36 54.07 1tet s GLN 39 Cb -0.12 -2.63 -0.05 0.00 1.10 0.00 0.00 33.01 31.31 1tet s GLN 39 CO 0.02 -0.75 0.64 0.99 -0.55 0.00 0.00 175.29 175.63 1tet s THR 40 N 1.31 4.93 -0.62 -0.34 2.01 -0.37 -2.51 115.64 120.05 1tet s THR 40 Ca 0.01 1.34 -0.32 0.00 0.31 0.00 0.00 61.69 63.03 1tet s THR 40 Cb -0.19 -3.98 -0.14 0.00 0.01 0.00 0.00 72.50 68.20 1tet s THR 40 CO -0.10 0.36 2.43 -0.81 -0.69 0.00 0.00 174.62 175.81 1tet n PRO 41 N 3.05 0.64 0.00 4.92 -0.04 -1.26 -2.27 135.00 140.04 1tet n PRO 41 Ca -0.05 0.09 0.00 0.00 -0.04 0.00 0.00 63.50 63.50 1tet n PRO 41 Cb 0.51 -2.38 0.00 0.00 -0.04 0.00 0.00 33.50 31.59 1tet n PRO 41 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1tet n GLY 42 N 6.43 1.88 0.00 0.55 0.00 -1.26 -4.86 105.19 107.93 1tet n GLY 42 Ca 0.49 -0.62 0.03 0.00 0.00 0.00 0.00 46.02 45.91 1tet n GLY 42 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1tet n LYS 43 N 0.00 0.18 0.00 1.61 3.00 -1.03 -4.99 118.16 116.94 1tet n LYS 43 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.31 1tet n LYS 43 Cb 0.00 -1.45 0.00 0.00 0.00 0.00 0.00 35.03 33.58 1tet n LYS 43 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1tet n GLY 44 N -0.60 -2.44 3.72 3.14 0.00 -0.96 -4.84 105.19 103.21 1tet n GLY 44 Ca 0.04 -1.71 -0.39 0.00 0.00 0.00 0.00 46.02 43.95 1tet n GLY 44 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1tet s PHE 45 N -0.43 3.58 -0.08 1.61 0.08 -1.26 -1.24 117.98 120.25 1tet s PHE 45 Ca 0.00 1.19 0.03 0.00 0.12 0.00 0.00 56.93 58.27 1tet s PHE 45 Cb 0.00 -2.74 -0.02 0.00 -0.57 0.00 0.00 43.02 39.69 1tet s PHE 45 CO 0.00 0.13 -0.15 0.15 -0.10 0.00 0.00 175.22 175.25 1tet s LYS 46 N 0.64 2.82 0.13 0.44 -0.14 0.23 -4.96 119.74 118.89 1tet s LYS 46 Ca 0.35 -0.72 -0.30 0.00 -1.36 0.00 0.00 55.97 53.94 1tet s LYS 46 Cb -0.17 -2.44 -0.06 0.00 -1.68 0.00 0.00 37.83 33.47 1tet s LYS 46 CO 0.17 0.45 1.00 -0.46 -0.76 0.00 0.00 175.35 175.75 1tet s TRP 47 N -0.28 3.75 -0.16 3.18 -0.00 -1.26 -1.47 118.94 122.69 1tet s TRP 47 Ca 0.02 1.73 0.22 0.00 -0.00 0.00 0.00 56.10 58.07 1tet s TRP 47 Cb -0.13 -3.12 -0.12 0.00 -0.00 0.00 0.00 33.47 30.10 1tet s TRP 47 CO 0.03 -0.05 0.85 -1.33 -0.00 0.00 0.00 176.95 176.45 1tet n MET 48 N 2.73 0.62 0.00 5.86 2.81 0.05 -4.81 117.12 124.38 1tet n MET 48 Ca 0.03 0.01 0.00 0.00 -1.81 0.00 0.00 57.70 55.93 1tet n MET 48 Cb 0.48 -1.72 0.00 0.00 -0.71 0.00 0.00 33.22 31.27 1tet n MET 48 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1tet n GLY 49 N 1.21 0.91 3.42 3.03 0.00 -1.23 -1.55 105.19 110.97 1tet n GLY 49 Ca -0.01 -2.01 -0.11 0.00 0.00 0.00 0.00 46.02 43.89 1tet n GLY 49 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 1tet s TRP 50 N -1.33 0.76 -0.04 1.61 -2.14 -0.67 -2.36 118.94 114.77 1tet s TRP 50 Ca 0.00 -1.05 -0.01 0.00 2.66 0.00 0.00 56.10 57.70 1tet s TRP 50 Cb 0.00 -0.15 0.03 0.00 -3.10 0.00 0.00 33.47 30.25 1tet s TRP 50 CO 0.00 -0.86 0.09 -1.50 -2.66 0.00 0.00 176.95 172.02 1tet s ILE 51 N -4.00 -0.06 -0.26 0.66 2.07 0.08 -0.25 121.20 119.44 1tet s ILE 51 Ca 0.30 0.21 -0.29 0.00 -1.41 0.00 0.00 60.65 59.46 1tet s ILE 51 Cb 0.03 -0.16 -0.01 0.00 0.13 0.00 0.00 42.46 42.44 1tet s ILE 51 CO 0.11 0.09 1.47 0.21 -1.91 0.00 0.00 174.94 174.91 1tet s ASN 52 N 1.17 6.50 0.33 4.50 3.04 -0.95 -1.65 114.94 127.89 1tet s ASN 52 Ca -0.09 1.40 0.26 0.00 0.04 0.00 0.00 52.86 54.48 1tet s ASN 52 Cb -0.12 -2.54 0.98 0.00 -1.54 0.00 0.00 41.25 38.04 1tet s ASN 52 CO -0.05 -1.20 1.78 0.71 -3.04 0.00 0.00 177.10 175.31 1tet h THR 52 N 6.09 0.00 0.00 -5.21 1.35 -1.87 -1.33 112.91 111.94 1tet h THR 52 Ca -0.30 -0.41 -0.00 0.00 -0.55 0.00 0.00 66.41 65.15 1tet h THR 52 Cb 1.13 1.28 0.00 0.00 -1.73 0.00 0.00 68.15 68.83 1tet h THR 52 CO 1.02 0.00 -0.00 0.22 -0.25 0.00 0.00 175.52 176.51 1tet h TYR 53 N 0.00 -0.01 0.00 4.73 3.20 -1.89 -3.38 116.97 119.62 1tet h TYR 53 Ca 0.00 -0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.87 1tet h TYR 53 Cb 0.53 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.80 1tet h TYR 53 CO 0.00 0.09 0.00 0.66 -1.64 0.00 0.00 178.16 177.27 1tet h SER 54 N -1.00 0.00 0.00 -2.11 4.64 -1.94 -3.47 113.55 109.67 1tet h SER 54 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1tet h SER 54 Cb 0.10 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.19 1tet h SER 54 CO 0.00 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.57 1tet n GLY 55 N 0.61 0.31 3.64 -0.77 0.00 -0.50 -5.01 105.19 103.47 1tet n GLY 55 Ca 0.03 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.65 1tet n GLY 55 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1tet s VAL 56 N -1.69 5.03 0.20 1.61 1.01 -1.24 -4.85 120.40 120.47 1tet s VAL 56 Ca 0.00 1.08 -0.14 0.00 0.00 0.00 0.00 61.98 62.92 1tet s VAL 56 Cb 0.00 -3.91 -0.08 0.00 0.00 0.00 0.00 36.38 32.40 1tet s VAL 56 CO 0.00 0.09 0.61 -2.16 0.00 0.00 0.00 175.10 173.64 1tet s PRO 57 N 2.14 4.00 -0.20 2.72 0.04 -1.26 -2.24 135.00 140.19 1tet s PRO 57 Ca 0.26 0.54 0.01 0.00 0.04 0.00 0.00 61.00 61.85 1tet s PRO 57 Cb -0.16 -2.79 0.04 0.00 0.04 0.00 0.00 34.50 31.63 1tet s PRO 57 CO 0.09 0.38 -0.14 0.99 0.04 0.00 0.00 177.00 178.37 1tet s THR 58 N -1.62 1.83 -0.02 1.26 2.01 0.66 -4.97 115.64 114.77 1tet s THR 58 Ca 0.43 -1.04 -0.03 0.00 0.31 0.00 0.00 61.69 61.36 1tet s THR 58 Cb -0.14 -1.81 -0.04 0.00 0.01 0.00 0.00 72.50 70.52 1tet s THR 58 CO 0.20 0.28 0.18 -0.31 -0.69 0.00 0.00 174.62 174.27 1tet s TYR 59 N 1.33 3.55 0.35 4.92 2.02 -1.26 -1.66 117.35 126.60 1tet s TYR 59 Ca 0.00 0.38 -0.26 0.00 -0.37 0.00 0.00 57.07 56.82 1tet s TYR 59 Cb -0.15 -1.84 -0.09 0.00 -0.40 0.00 0.00 41.96 39.47 1tet s TYR 59 CO -0.09 0.66 1.01 0.00 -1.57 0.00 0.00 175.55 175.55 1tet s ALA 60 N -1.28 3.18 0.24 3.71 0.00 -0.60 -4.82 121.76 122.18 1tet s ALA 60 Ca 0.26 0.64 -0.02 0.00 0.00 0.00 0.00 51.96 52.83 1tet s ALA 60 Cb -0.13 -3.24 0.50 0.00 0.00 0.00 0.00 23.12 20.26 1tet s ALA 60 CO 0.17 -0.03 1.25 -0.25 0.00 0.00 0.00 175.76 176.90 1tet n ASP 61 N 0.36 -0.18 -0.14 0.00 9.92 -1.26 0.60 116.55 125.84 1tet n ASP 61 Ca 0.03 1.36 0.00 0.00 -0.53 0.00 0.00 54.79 55.65 1tet n ASP 61 Cb 0.49 -0.46 0.00 0.00 -0.64 0.00 0.00 41.12 40.51 1tet n ASP 61 CO 0.00 0.00 0.00 0.47 0.13 0.00 0.00 177.20 177.80 1tet n ASP 62 N -5.21 0.28 -0.09 -2.24 9.92 -1.26 -3.04 116.55 114.91 1tet n ASP 62 Ca 0.16 -1.97 0.01 0.00 -0.53 0.00 0.00 54.79 52.45 1tet n ASP 62 Cb 0.52 -0.14 0.01 0.00 -0.64 0.00 0.00 41.12 40.87 1tet n ASP 62 CO 0.00 0.00 0.00 0.49 0.13 0.00 0.00 177.20 177.82 1tet n PHE 63 N -0.36 0.00 -2.49 1.24 3.72 0.20 -5.05 117.46 114.72 1tet n PHE 63 Ca 0.00 -0.19 -0.39 0.00 -0.05 0.00 0.00 57.45 56.82 1tet n PHE 63 Cb 0.07 -0.03 -0.04 0.00 -0.94 0.00 0.00 39.48 38.54 1tet n PHE 63 CO 0.00 0.00 0.00 0.15 -0.05 0.00 0.00 176.76 176.86 1tet s LYS 64 N -0.45 4.42 0.00 -1.08 1.02 -1.11 -3.97 119.74 118.57 1tet s LYS 64 Ca 0.02 1.69 0.00 0.00 0.02 0.00 0.00 55.97 57.70 1tet s LYS 64 Cb 0.02 -2.91 0.00 0.00 -0.52 0.00 0.00 37.83 34.42 1tet s LYS 64 CO 0.00 0.05 0.00 0.41 -0.92 0.00 0.00 175.35 174.89 1tet n GLY 65 N 0.84 2.10 0.94 -3.33 0.00 -1.26 -4.77 105.19 99.71 1tet n GLY 65 Ca 0.02 -0.69 0.08 0.00 0.00 0.00 0.00 46.02 45.43 1tet n GLY 65 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1tet n ARG 66 N 0.00 2.22 -5.16 1.61 1.74 -1.26 -4.92 116.66 110.90 1tet n ARG 66 Ca 0.00 -1.81 -0.31 0.00 -0.77 0.00 0.00 57.85 54.96 1tet n ARG 66 Cb 0.00 -1.42 -0.17 0.00 -1.02 0.00 0.00 32.46 29.85 1tet n ARG 66 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 1tet s PHE 67 N -1.37 2.44 -0.05 -1.55 0.40 -1.25 -4.03 117.98 112.57 1tet s PHE 67 Ca 0.33 -0.99 0.03 0.00 -0.60 0.00 0.00 56.93 55.71 1tet s PHE 67 Cb 0.18 -1.64 0.00 0.00 0.51 0.00 0.00 43.02 42.07 1tet s PHE 67 CO 0.22 -0.40 -0.15 0.00 0.70 0.00 0.00 175.22 175.59 1tet s ALA 68 N 0.36 1.38 -0.13 5.36 0.00 0.58 -4.94 121.76 124.37 1tet s ALA 68 Ca -0.18 -0.56 -0.05 0.00 0.00 0.00 0.00 51.96 51.17 1tet s ALA 68 Cb -0.18 -0.51 -0.04 0.00 0.00 0.00 0.00 23.12 22.39 1tet s ALA 68 CO 0.08 0.21 0.04 -0.06 0.00 0.00 0.00 175.76 176.03 1tet s PHE 69 N 0.28 3.24 0.30 0.00 0.08 -1.26 -0.25 117.98 120.36 1tet s PHE 69 Ca -0.08 0.15 -0.01 0.00 0.12 0.00 0.00 56.93 57.11 1tet s PHE 69 Cb -0.13 -1.92 -0.02 0.00 -0.57 0.00 0.00 43.02 40.39 1tet s PHE 69 CO 0.03 0.36 0.36 -1.54 -0.10 0.00 0.00 175.22 174.32 1tet s SER 70 N -0.39 0.80 0.04 1.36 1.04 -0.57 -4.94 113.70 111.03 1tet s SER 70 Ca 0.08 -1.46 0.00 0.00 0.48 0.00 0.00 55.95 55.06 1tet s SER 70 Cb -0.12 0.57 -0.03 0.00 0.10 0.00 0.00 66.02 66.54 1tet s SER 70 CO 0.02 -1.12 -0.04 -0.76 0.98 0.00 0.00 173.24 172.32 1tet s LEU 71 N -3.22 2.33 -0.41 2.42 1.43 -1.26 -0.64 118.68 119.33 1tet s LEU 71 Ca 0.34 -0.69 0.01 0.00 -1.03 0.00 0.00 54.13 52.76 1tet s LEU 71 Cb 0.02 0.09 0.13 0.00 0.03 0.00 0.00 46.19 46.47 1tet s LEU 71 CO 0.19 -0.39 0.22 -1.61 0.23 0.00 0.00 176.35 174.99 1tet s GLU 72 N -2.36 1.07 0.44 1.70 2.02 0.10 -4.97 118.70 116.69 1tet s GLU 72 Ca -0.07 -1.78 0.29 0.00 0.02 0.00 0.00 54.97 53.43 1tet s GLU 72 Cb -0.04 -2.07 1.06 0.00 0.10 0.00 0.00 34.13 33.19 1tet s GLU 72 CO -0.04 -1.16 1.84 1.79 0.02 0.00 0.00 175.26 177.71 1tet h THR 73 N 5.27 0.00 0.00 3.63 1.35 -1.96 -2.15 112.91 119.06 1tet h THR 73 Ca -0.00 -0.53 0.00 0.00 -0.55 0.00 0.00 66.41 65.33 1tet h THR 73 Cb 0.94 1.47 0.00 0.00 -1.73 0.00 0.00 68.15 68.83 1tet h THR 73 CO 0.43 0.00 0.00 0.28 -0.25 0.00 0.00 175.52 175.98 1tet h SER 74 N 0.00 0.00 -0.30 5.36 0.02 -1.96 -3.02 113.55 113.65 1tet h SER 74 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1tet h SER 74 Cb 0.58 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.12 1tet h SER 74 CO 0.00 0.00 0.00 0.00 -1.14 0.00 0.00 176.83 175.69 1tet n ALA 75 N -2.01 2.37 -4.13 3.77 0.00 -0.86 -4.98 120.51 114.67 1tet n ALA 75 Ca 0.04 -0.95 -0.34 0.00 0.00 0.00 0.00 53.44 52.19 1tet n ALA 75 Cb 0.46 -0.65 -0.01 0.00 0.00 0.00 0.00 19.45 19.25 1tet n ALA 75 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1tet n SER 76 N 1.06 -3.26 -4.05 0.00 7.64 -0.89 -4.76 113.62 109.36 1tet n SER 76 Ca 0.15 -0.96 -0.23 0.00 1.01 0.00 0.00 58.87 58.84 1tet n SER 76 Cb 0.49 -3.03 -0.16 0.00 -1.01 0.00 0.00 64.21 60.50 1tet n SER 76 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 1tet s THR 77 N -3.37 1.03 0.06 0.44 2.01 -0.94 -0.04 115.64 114.83 1tet s THR 77 Ca 0.64 -0.49 0.02 0.00 0.31 0.00 0.00 61.69 62.17 1tet s THR 77 Cb -0.34 -0.91 -0.04 0.00 0.01 0.00 0.00 72.50 71.22 1tet s THR 77 CO 0.90 0.31 0.08 0.00 -0.69 0.00 0.00 174.62 175.23 1tet s ALA 78 N 0.19 3.57 0.02 7.40 0.00 0.09 -0.72 121.76 132.31 1tet s ALA 78 Ca -0.04 -0.98 0.04 0.00 0.00 0.00 0.00 51.96 50.97 1tet s ALA 78 Cb -0.10 -1.47 -0.02 0.00 0.00 0.00 0.00 23.12 21.53 1tet s ALA 78 CO 0.01 0.74 -0.12 0.71 0.00 0.00 0.00 175.76 177.10 1tet s TYR 79 N -1.35 1.05 -0.13 0.00 2.02 0.19 0.68 117.35 119.82 1tet s TYR 79 Ca 0.28 -0.29 0.03 0.00 -0.37 0.00 0.00 57.07 56.72 1tet s TYR 79 Cb -0.12 -0.65 0.01 0.00 -0.40 0.00 0.00 41.96 40.80 1tet s TYR 79 CO 0.20 0.00 -0.21 -1.17 -1.57 0.00 0.00 175.55 172.81 1tet s LEU 80 N -0.77 2.02 -0.12 -1.29 0.20 -0.69 -1.52 118.68 116.52 1tet s LEU 80 Ca 0.02 -0.56 0.01 0.00 0.69 0.00 0.00 54.13 54.29 1tet s LEU 80 Cb -0.06 -1.36 -0.01 0.00 -0.43 0.00 0.00 46.19 44.32 1tet s LEU 80 CO 0.00 0.08 -0.16 -1.58 -0.29 0.00 0.00 176.35 174.40 1tet s GLN 81 N 0.79 3.23 0.30 1.98 0.74 0.65 -0.73 119.66 126.61 1tet s GLN 81 Ca -0.09 -0.73 0.09 0.00 0.05 0.00 0.00 55.36 54.68 1tet s GLN 81 Cb -0.16 -2.53 -0.06 0.00 1.10 0.00 0.00 33.01 31.36 1tet s GLN 81 CO -0.00 0.24 -0.11 0.42 -0.55 0.00 0.00 175.29 175.29 1tet s ILE 82 N 0.25 2.05 0.00 -2.34 1.01 -0.53 -0.31 121.20 121.33 1tet s ILE 82 Ca -0.11 -2.22 0.00 0.00 0.00 0.00 0.00 60.65 58.32 1tet s ILE 82 Cb -0.16 -2.46 0.00 0.00 0.01 0.00 0.00 42.46 39.86 1tet s ILE 82 CO 0.06 -0.31 0.00 -3.20 0.00 0.00 0.00 174.94 171.49 1tet n ASN 82 N -0.65 0.00 -4.63 3.58 5.15 -1.04 -2.11 115.26 115.55 1tet n ASN 82 Ca -0.05 0.00 -0.59 0.00 -0.60 0.00 0.00 54.58 53.33 1tet n ASN 82 Cb 0.62 0.00 -0.08 0.00 -0.53 0.00 0.00 39.78 39.79 1tet n ASN 82 CO 0.00 0.00 0.00 -0.11 1.40 0.00 0.00 177.26 178.55 1tet n LEU 82 N 0.00 1.93 -4.89 1.20 7.94 -0.37 -4.41 117.00 118.39 1tet n LEU 82 Ca 0.00 0.97 -0.30 0.00 -1.11 0.00 0.00 56.01 55.57 1tet n LEU 82 Cb 0.00 -1.07 -0.04 0.00 0.53 0.00 0.00 43.42 42.84 1tet n LEU 82 CO 0.00 -0.59 0.23 -0.54 -1.11 0.00 0.00 177.39 175.38 1tet s LYS 83 N 4.08 3.69 0.32 1.96 1.02 -1.26 -0.22 119.74 129.32 1tet s LYS 83 Ca 1.04 0.12 0.08 0.00 0.02 0.00 0.00 55.97 57.23 1tet s LYS 83 Cb -1.18 -2.62 0.90 0.00 -0.52 0.00 0.00 37.83 34.40 1tet s LYS 83 CO 0.67 0.22 1.64 -0.91 -0.92 0.00 0.00 175.35 176.05 1tet h ASN 84 N 1.87 0.15 0.09 2.83 4.21 -1.93 -1.11 115.58 121.69 1tet h ASN 84 Ca -0.47 0.21 0.00 0.00 1.21 0.00 0.00 56.30 57.25 1tet h ASN 84 Cb 1.18 0.25 0.00 0.00 -1.12 0.00 0.00 38.32 38.63 1tet h ASN 84 CO 0.67 -0.20 0.00 -0.62 -1.29 0.00 0.00 177.43 175.99 1tet n GLU 85 N -5.20 0.17 0.00 0.81 4.71 -1.26 -1.93 120.64 117.94 1tet n GLU 85 Ca 0.26 0.13 0.13 0.00 -0.01 0.00 0.00 57.16 57.67 1tet n GLU 85 Cb 0.85 -1.50 0.32 0.00 -1.01 0.00 0.00 31.44 30.09 1tet n GLU 85 CO 0.00 0.00 0.00 -0.25 0.09 0.00 0.00 177.13 176.97 1tet n ASP 86 N -1.17 1.72 -4.64 1.62 8.00 -0.42 -4.88 116.55 116.78 1tet n ASP 86 Ca 0.05 -1.41 -0.42 0.00 0.71 0.00 0.00 54.79 53.71 1tet n ASP 86 Cb 0.05 0.11 -0.03 0.00 -0.02 0.00 0.00 41.12 41.23 1tet n ASP 86 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 1tet s THR 87 N -2.22 3.12 0.11 -3.53 2.01 -0.81 -4.83 115.64 109.49 1tet s THR 87 Ca 0.29 0.14 -0.26 0.00 0.31 0.00 0.00 61.69 62.17 1tet s THR 87 Cb 0.20 -3.11 0.08 0.00 0.01 0.00 0.00 72.50 69.68 1tet s THR 87 CO 0.42 -0.04 1.09 0.00 -0.69 0.00 0.00 174.62 175.41 1tet s ALA 88 N 5.73 -1.85 -0.09 7.40 0.00 -0.99 -4.71 121.76 127.25 1tet s ALA 88 Ca 0.90 0.09 -0.10 0.00 0.00 0.00 0.00 51.96 52.85 1tet s ALA 88 Cb -0.37 0.64 -0.05 0.00 0.00 0.00 0.00 23.12 23.34 1tet s ALA 88 CO 0.38 -1.06 0.23 0.99 0.00 0.00 0.00 175.76 176.29 1tet s THR 89 N -2.60 5.35 0.03 0.00 2.01 -1.04 -1.04 115.64 118.35 1tet s THR 89 Ca 0.17 0.42 0.06 0.00 0.31 0.00 0.00 61.69 62.65 1tet s THR 89 Cb -0.00 -3.51 -0.03 0.00 0.01 0.00 0.00 72.50 68.97 1tet s THR 89 CO 0.02 0.59 -0.16 -0.31 -0.69 0.00 0.00 174.62 174.06 1tet s TYR 90 N -0.90 2.61 -0.01 4.92 1.51 -0.60 -1.06 117.35 123.82 1tet s TYR 90 Ca 0.17 -0.22 0.04 0.00 -1.01 0.00 0.00 57.07 56.05 1tet s TYR 90 Cb -0.13 -1.50 -0.01 0.00 -0.11 0.00 0.00 41.96 40.21 1tet s TYR 90 CO 0.07 0.26 -0.13 -0.06 -1.11 0.00 0.00 175.55 174.57 1tet s PHE 91 N -0.92 1.20 0.11 2.71 0.08 0.72 -1.99 117.98 119.89 1tet s PHE 91 Ca 0.15 -0.23 -0.06 0.00 0.12 0.00 0.00 56.93 56.91 1tet s PHE 91 Cb -0.11 -0.77 -0.05 0.00 -0.57 0.00 0.00 43.02 41.52 1tet s PHE 91 CO 0.05 -0.02 0.37 0.00 -0.10 0.00 0.00 175.22 175.52 1tet s ALA 93 N -1.55 -0.01 0.03 0.00 0.00 0.32 -0.72 121.76 119.82 1tet s ALA 93 Ca 0.37 0.26 -0.26 0.00 0.00 0.00 0.00 51.96 52.33 1tet s ALA 93 Cb -0.13 -0.19 -0.05 0.00 0.00 0.00 0.00 23.12 22.75 1tet s ALA 93 CO 0.22 -0.08 0.80 0.50 0.00 0.00 0.00 175.76 177.20 1tet s ARG 94 N 0.69 4.52 -0.05 0.00 3.52 -0.62 -0.20 118.95 126.81 1tet s ARG 94 Ca -0.06 1.12 0.02 0.00 -0.13 0.00 0.00 55.73 56.68 1tet s ARG 94 Cb -0.08 -3.39 0.01 0.00 -1.56 0.00 0.00 34.95 29.94 1tet s ARG 94 CO -0.02 0.21 -0.09 0.50 -0.81 0.00 0.00 175.30 175.08 1tet s ARG 95 N 0.18 1.33 0.00 5.12 3.52 -0.71 -3.57 118.95 124.82 1tet s ARG 95 Ca 0.41 -0.30 0.00 0.00 -0.13 0.00 0.00 55.73 55.70 1tet s ARG 95 Cb -0.20 -1.16 0.00 0.00 -1.56 0.00 0.00 34.95 32.03 1tet s ARG 95 CO 0.24 0.01 0.00 -1.13 -0.81 0.00 0.00 175.30 173.60 1tet n SER 96 N 3.81 0.00 -0.90 -2.12 3.41 -1.26 -3.32 113.62 113.23 1tet n SER 96 Ca -0.23 0.00 0.11 0.00 -0.26 0.00 0.00 58.87 58.48 1tet n SER 96 Cb 0.52 0.00 0.12 0.00 -0.26 0.00 0.00 64.21 64.58 1tet n SER 96 CO 0.00 0.00 0.00 0.79 -0.16 0.00 0.00 175.04 175.67 1tet n TRP 100 N -0.03 0.13 -3.78 7.33 8.01 -1.26 -4.99 117.44 122.84 1tet n TRP 100 Ca 0.00 -0.07 -0.05 0.00 -1.31 0.00 0.00 57.50 56.07 1tet n TRP 100 Cb 0.00 -0.00 -0.02 0.00 -2.01 0.00 0.00 31.31 29.28 1tet n TRP 100 CO 0.00 0.00 0.00 1.52 -1.01 0.00 0.00 177.69 178.20 1tet s TYR 100 N -1.66 -0.16 -0.86 -5.99 -0.85 -1.26 -5.09 117.35 101.47 1tet s TYR 100 Ca 0.28 -0.19 -0.18 0.00 -0.52 0.00 0.00 57.07 56.46 1tet s TYR 100 Cb 0.18 0.66 0.15 0.00 0.38 0.00 0.00 41.96 43.34 1tet s TYR 100 CO 0.27 -0.97 0.99 -0.06 -1.52 0.00 0.00 175.55 174.26 1tet s PHE 100 N -3.52 3.28 -0.23 -3.49 0.08 -1.26 -4.19 117.98 108.65 1tet s PHE 100 Ca 0.11 -1.50 0.18 0.00 0.12 0.00 0.00 56.93 55.84 1tet s PHE 100 Cb -0.03 -4.13 0.10 0.00 -0.57 0.00 0.00 43.02 38.39 1tet s PHE 100 CO 0.03 -1.34 1.37 0.38 -0.10 0.00 0.00 175.22 175.56 1tet h ASP 101 N 8.59 0.00 -3.45 1.36 2.03 -1.98 -3.46 116.42 119.51 1tet h ASP 101 Ca 0.09 0.00 -0.44 0.00 -0.73 0.00 0.00 57.03 55.95 1tet h ASP 101 Cb 1.04 0.00 -0.34 0.00 -0.83 0.00 0.00 39.33 39.20 1tet h ASP 101 CO 1.01 0.33 -0.78 -0.69 -1.03 0.00 0.00 179.24 178.08 1tet s VAL 102 N -3.06 0.71 0.05 4.15 1.01 -1.26 -5.06 120.40 116.94 1tet s VAL 102 Ca 0.03 -0.23 0.09 0.00 0.00 0.00 0.00 61.98 61.88 1tet s VAL 102 Cb 0.07 -0.70 -0.03 0.00 0.00 0.00 0.00 36.38 35.72 1tet s VAL 102 CO 0.74 0.26 -0.26 0.26 0.00 0.00 0.00 175.10 176.10 1tet s TRP 103 N 0.82 2.32 0.76 5.22 0.52 -1.26 -1.59 118.94 125.74 1tet s TRP 103 Ca -0.12 -0.41 -0.11 0.00 0.02 0.00 0.00 56.10 55.48 1tet s TRP 103 Cb -0.15 -1.38 0.05 0.00 -1.15 0.00 0.00 33.47 30.84 1tet s TRP 103 CO 0.01 0.14 1.08 0.20 0.02 0.00 0.00 176.95 178.41 1tet s GLY 104 N -1.30 1.65 0.45 0.98 0.00 0.10 -4.68 107.32 104.51 1tet s GLY 104 Ca 0.12 0.02 0.22 0.00 0.00 0.00 0.00 44.72 45.08 1tet s GLY 104 CO 0.02 0.38 1.84 -0.91 0.00 0.00 0.00 173.10 174.44 1tet h THR 105 N -0.99 0.59 0.00 0.90 1.35 -1.79 -3.45 112.91 109.53 1tet h THR 105 Ca -0.45 -0.10 0.00 0.00 -0.55 0.00 0.00 66.41 65.31 1tet h THR 105 Cb 1.24 0.28 0.00 0.00 -1.73 0.00 0.00 68.15 67.94 1tet h THR 105 CO 0.56 0.05 0.00 0.61 -0.25 0.00 0.00 175.52 176.50 1tet n GLY 106 N -1.57 1.96 2.88 5.82 0.00 -1.26 -4.99 105.19 108.03 1tet n GLY 106 Ca 0.21 -1.56 -0.29 0.00 0.00 0.00 0.00 46.02 44.38 1tet n GLY 106 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1tet s THR 107 N -1.08 1.13 0.18 2.61 2.01 -0.84 -4.83 115.64 114.82 1tet s THR 107 Ca 0.00 -0.77 -0.27 0.00 0.31 0.00 0.00 61.69 60.96 1tet s THR 107 Cb 0.00 -1.38 -0.08 0.00 0.01 0.00 0.00 72.50 71.05 1tet s THR 107 CO 0.00 0.02 0.83 -0.89 -0.69 0.00 0.00 174.62 173.89 1tet s THR 108 N 1.60 4.30 -0.07 -0.82 2.01 -1.26 -1.56 115.64 119.84 1tet s THR 108 Ca -0.01 1.83 0.05 0.00 0.31 0.00 0.00 61.69 63.87 1tet s THR 108 Cb -0.16 -4.20 -0.01 0.00 0.01 0.00 0.00 72.50 68.13 1tet s THR 108 CO -0.07 0.50 -0.22 -0.69 -0.69 0.00 0.00 174.62 173.45 1tet s VAL 109 N -1.06 2.29 -0.20 3.82 1.01 -0.21 -1.30 120.40 124.75 1tet s VAL 109 Ca 0.38 -0.97 0.01 0.00 0.00 0.00 0.00 61.98 61.40 1tet s VAL 109 Cb -0.24 -1.86 0.03 0.00 0.00 0.00 0.00 36.38 34.31 1tet s VAL 109 CO 0.28 0.56 -0.17 -0.89 0.00 0.00 0.00 175.10 174.89 1tet s THR 110 N -0.06 2.02 -0.12 3.92 2.01 -0.62 -2.35 115.64 120.44 1tet s THR 110 Ca -0.06 -1.10 -0.14 0.00 0.31 0.00 0.00 61.69 60.69 1tet s THR 110 Cb -0.15 -1.93 -0.05 0.00 0.01 0.00 0.00 72.50 70.39 1tet s THR 110 CO 0.05 0.36 0.34 -0.69 -0.69 0.00 0.00 174.62 173.99 1tet s VAL 111 N 1.26 5.25 -0.29 3.82 1.01 -1.26 -0.96 120.40 129.23 1tet s VAL 111 Ca 0.01 0.66 -0.21 0.00 0.00 0.00 0.00 61.98 62.44 1tet s VAL 111 Cb -0.15 -3.67 0.14 0.00 0.00 0.00 0.00 36.38 32.70 1tet s VAL 111 CO -0.10 0.43 1.04 -0.55 0.00 0.00 0.00 175.10 175.91 1tet s SER 112 N 0.12 -0.44 -0.02 3.32 0.15 0.15 -4.82 113.70 112.16 1tet s SER 112 Ca 0.20 0.77 0.12 0.00 0.70 0.00 0.00 55.95 57.74 1tet s SER 112 Cb -0.14 0.97 0.40 0.00 -1.71 0.00 0.00 66.02 65.54 1tet s SER 112 CO 0.07 -0.13 1.30 -1.54 1.20 0.00 0.00 173.24 174.14 1tet n SER 113 N 2.86 2.56 -4.80 5.45 3.41 -1.26 -4.34 113.62 117.51 1tet n SER 113 Ca -0.15 -2.09 -0.35 0.00 -0.26 0.00 0.00 58.87 56.01 1tet n SER 113 Cb 0.57 -0.34 -0.07 0.00 -0.26 0.00 0.00 64.21 64.11 1tet n SER 113 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1tet s ALA 114 N -1.53 3.12 0.09 7.33 0.00 -1.26 -5.03 121.76 124.48 1tet s ALA 114 Ca 0.29 0.48 -0.25 0.00 0.00 0.00 0.00 51.96 52.48 1tet s ALA 114 Cb 0.17 -3.17 -0.06 0.00 0.00 0.00 0.00 23.12 20.05 1tet s ALA 114 CO 0.18 0.12 0.76 0.15 0.00 0.00 0.00 175.76 176.98 1tet s LYS 115 N -2.60 4.51 0.22 0.00 1.02 -1.26 -4.99 119.74 116.63 1tet s LYS 115 Ca 0.56 1.09 -0.31 0.00 0.02 0.00 0.00 55.97 57.33 1tet s LYS 115 Cb -0.14 -3.33 -0.11 0.00 -0.52 0.00 0.00 37.83 33.73 1tet s LYS 115 CO 0.19 0.39 1.63 -0.08 -0.92 0.00 0.00 175.35 176.57 1tet s THR 116 N -0.45 2.24 -0.10 2.17 -1.32 -1.26 -4.77 115.64 112.14 1tet s THR 116 Ca 0.37 0.18 -0.01 0.00 -1.21 0.00 0.00 61.69 61.03 1tet s THR 116 Cb -0.21 -3.11 0.03 0.00 -1.51 0.00 0.00 72.50 67.69 1tet s THR 116 CO 0.24 0.02 -0.05 -0.89 -2.21 0.00 0.00 174.62 171.73 1tet s THR 117 N 0.84 0.83 0.40 5.08 2.01 0.64 -4.94 115.64 120.49 1tet s THR 117 Ca 0.70 -0.18 -0.26 0.00 0.31 0.00 0.00 61.69 62.26 1tet s THR 117 Cb -0.47 -0.90 -0.09 0.00 0.01 0.00 0.00 72.50 71.05 1tet s THR 117 CO 0.36 0.32 1.21 -2.16 -0.69 0.00 0.00 174.62 173.66 1tet s PRO 118 N 1.79 4.04 0.73 4.92 0.04 -1.26 -2.16 135.00 143.10 1tet s PRO 118 Ca 0.05 1.93 -0.15 0.00 0.04 0.00 0.00 61.00 62.87 1tet s PRO 118 Cb -0.13 -2.72 0.04 0.00 0.04 0.00 0.00 34.50 31.74 1tet s PRO 118 CO -0.07 -0.36 1.19 -1.25 0.04 0.00 0.00 177.00 176.55 1tet s PRO 119 N -2.25 2.17 -0.21 0.56 0.04 -1.26 -4.66 135.00 129.39 1tet s PRO 119 Ca 0.57 1.71 -0.07 0.00 0.04 0.00 0.00 61.00 63.24 1tet s PRO 119 Cb -0.33 -1.84 -0.03 0.00 0.04 0.00 0.00 34.50 32.33 1tet s PRO 119 CO 0.42 -1.80 0.06 -1.12 0.04 0.00 0.00 177.00 174.59 1tet s SER 120 N -2.13 5.34 -0.09 6.66 0.01 -0.51 -4.93 113.70 118.04 1tet s SER 120 Ca 0.73 -0.06 0.02 0.00 1.31 0.00 0.00 55.95 57.95 1tet s SER 120 Cb -0.28 -1.93 -0.02 0.00 0.21 0.00 0.00 66.02 64.00 1tet s SER 120 CO 0.45 0.08 -0.14 0.68 0.41 0.00 0.00 173.24 174.72 1tet s VAL 121 N 0.91 2.99 -0.10 3.43 -7.23 -1.26 -0.85 120.40 118.30 1tet s VAL 121 Ca 0.03 -0.71 0.04 0.00 -1.81 0.00 0.00 61.98 59.53 1tet s VAL 121 Cb -0.14 -2.21 -0.00 0.00 0.56 0.00 0.00 36.38 34.59 1tet s VAL 121 CO 0.03 0.56 -0.23 -0.31 -0.31 0.00 0.00 175.10 174.83 1tet s TYR 122 N -0.17 2.56 0.21 2.82 2.02 0.12 -4.94 117.35 119.97 1tet s TYR 122 Ca -0.01 -0.99 -0.30 0.00 -0.37 0.00 0.00 57.07 55.41 1tet s TYR 122 Cb -0.13 -1.70 -0.08 0.00 -0.40 0.00 0.00 41.96 39.64 1tet s TYR 122 CO 0.03 -0.38 1.20 -1.25 -1.57 0.00 0.00 175.55 173.58 1tet s PRO 123 N 0.28 4.49 -0.38 -1.71 0.04 -1.26 0.46 135.00 136.93 1tet s PRO 123 Ca -0.17 1.91 0.04 0.00 0.04 0.00 0.00 61.00 62.82 1tet s PRO 123 Cb -0.17 -3.22 0.11 0.00 0.04 0.00 0.00 34.50 31.26 1tet s PRO 123 CO 0.08 -0.07 0.09 -0.51 0.04 0.00 0.00 177.00 176.64 1tet s LEU 124 N -0.52 4.70 0.32 -3.56 1.43 0.03 -4.91 118.68 116.16 1tet s LEU 124 Ca 0.52 -2.32 0.01 0.00 -1.03 0.00 0.00 54.13 51.31 1tet s LEU 124 Cb -0.33 -1.64 -0.03 0.00 0.03 0.00 0.00 46.19 44.22 1tet s LEU 124 CO 0.39 -0.36 0.50 0.00 0.23 0.00 0.00 176.35 177.11 1tet s ALA 125 N 0.68 3.75 0.16 4.21 0.00 -1.26 -1.09 121.76 128.20 1tet s ALA 125 Ca 0.12 -0.97 -0.30 0.00 0.00 0.00 0.00 51.96 50.81 1tet s ALA 125 Cb -0.20 -2.03 -0.07 0.00 0.00 0.00 0.00 23.12 20.82 1tet s ALA 125 CO -0.06 0.06 1.09 -2.14 0.00 0.00 0.00 175.76 174.70 1tet s PRO 126 N -4.18 4.59 0.00 0.00 0.02 -1.26 -4.99 135.00 129.18 1tet s PRO 126 Ca 0.39 1.68 0.00 0.00 0.02 0.00 0.00 61.00 63.09 1tet s PRO 126 Cb -0.10 -3.30 0.00 0.00 0.02 0.00 0.00 34.50 31.13 1tet s PRO 126 CO 0.34 0.06 0.00 0.41 -0.33 0.00 0.00 177.00 177.48 1tet n GLY 127 N 2.18 0.00 2.36 0.52 0.00 -1.26 -4.49 105.19 104.50 1tet n GLY 127 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.05 1tet n GLY 127 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1tet n SER 134 N 0.00 0.00 -4.15 1.61 3.41 -1.26 -5.71 113.62 107.52 1tet n SER 134 Ca 0.00 0.00 -0.18 0.00 -0.26 0.00 0.00 58.87 58.43 1tet n SER 134 Cb 0.00 0.00 -0.12 0.00 -0.26 0.00 0.00 64.21 63.83 1tet n SER 134 CO 0.00 0.00 0.00 -0.04 -0.16 0.00 0.00 175.04 174.84 1tet s MET 135 N 0.00 0.80 -0.02 4.33 1.00 -1.26 -0.16 119.30 123.99 1tet s MET 135 Ca 0.00 -0.88 0.02 0.00 0.00 0.00 0.00 55.69 54.83 1tet s MET 135 Cb 0.00 -0.79 -0.00 0.00 0.00 0.00 0.00 34.83 34.04 1tet s MET 135 CO 0.00 0.18 -0.08 0.08 0.00 0.00 0.00 175.02 175.20 1tet s VAL 136 N -1.18 0.67 -0.17 -6.03 1.01 0.12 -4.65 120.40 110.18 1tet s VAL 136 Ca -0.02 -0.33 -0.03 0.00 0.00 0.00 0.00 61.98 61.60 1tet s VAL 136 Cb -0.09 -0.59 -0.02 0.00 0.00 0.00 0.00 36.38 35.68 1tet s VAL 136 CO 0.02 0.20 -0.05 -0.89 0.00 0.00 0.00 175.10 174.39 1tet s THR 137 N 0.05 3.71 0.16 3.92 2.01 -1.26 -1.13 115.64 123.10 1tet s THR 137 Ca -0.00 -0.41 0.10 0.00 0.31 0.00 0.00 61.69 61.68 1tet s THR 137 Cb -0.06 -2.63 -0.04 0.00 0.01 0.00 0.00 72.50 69.78 1tet s THR 137 CO -0.00 0.48 -0.20 -0.76 -0.69 0.00 0.00 174.62 173.44 1tet s LEU 138 N 0.60 2.57 0.20 4.42 1.43 -0.07 -4.67 118.68 123.16 1tet s LEU 138 Ca -0.03 -0.72 -0.01 0.00 -1.03 0.00 0.00 54.13 52.34 1tet s LEU 138 Cb -0.15 -1.36 -0.04 0.00 0.03 0.00 0.00 46.19 44.68 1tet s LEU 138 CO 0.03 0.14 0.13 -0.83 0.23 0.00 0.00 176.35 176.05 1tet s GLY 139 N -2.47 1.46 -0.03 -3.19 0.00 -0.25 -0.56 107.32 102.27 1tet s GLY 139 Ca 0.20 -1.71 -0.01 0.00 0.00 0.00 0.00 44.72 43.20 1tet s GLY 139 CO 0.10 -1.41 0.05 0.00 0.00 0.00 0.00 173.10 171.84 1tet s LEU 141 N 1.62 3.41 -0.27 0.00 2.96 0.17 -2.13 118.68 124.45 1tet s LEU 141 Ca -0.02 -0.15 -0.04 0.00 -0.22 0.00 0.00 54.13 53.70 1tet s LEU 141 Cb -0.12 -1.88 0.02 0.00 0.50 0.00 0.00 46.19 44.71 1tet s LEU 141 CO -0.03 0.06 0.01 -0.69 -1.32 0.00 0.00 176.35 174.38 1tet s VAL 142 N 1.02 3.40 -0.04 1.68 1.01 0.09 0.12 120.40 127.67 1tet s VAL 142 Ca 0.03 -0.86 0.05 0.00 0.00 0.00 0.00 61.98 61.19 1tet s VAL 142 Cb -0.14 -2.74 -0.01 0.00 0.00 0.00 0.00 36.38 33.49 1tet s VAL 142 CO 0.02 0.14 -0.19 -0.75 0.00 0.00 0.00 175.10 174.32 1tet s LYS 143 N 1.41 1.94 -0.44 2.72 2.20 -0.03 -1.96 119.74 125.58 1tet s LYS 143 Ca 0.01 -0.69 -0.01 0.00 -0.36 0.00 0.00 55.97 54.92 1tet s LYS 143 Cb -0.17 -1.70 -0.01 0.00 -1.51 0.00 0.00 37.83 34.44 1tet s LYS 143 CO -0.01 0.30 0.37 0.41 -0.36 0.00 0.00 175.35 176.06 1tet n GLY 144 N 3.02 0.12 3.63 5.54 0.00 -0.05 -1.42 105.19 116.03 1tet n GLY 144 Ca -0.17 -0.12 -0.24 0.00 0.00 0.00 0.00 46.02 45.48 1tet n GLY 144 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1tet s TYR 145 N -3.14 2.58 -0.19 1.61 1.13 -0.96 -4.40 117.35 113.99 1tet s TYR 145 Ca 0.08 -0.35 -0.22 0.00 -1.41 0.00 0.00 57.07 55.17 1tet s TYR 145 Cb -0.01 -1.36 0.06 0.00 -1.10 0.00 0.00 41.96 39.54 1tet s TYR 145 CO 0.28 0.53 0.58 0.12 -2.51 0.00 0.00 175.55 174.56 1tet s PHE 146 N -2.45 -0.62 0.00 -3.49 5.36 -0.92 -0.55 117.98 115.32 1tet s PHE 146 Ca 0.34 1.44 0.00 0.00 -0.96 0.00 0.00 56.93 57.74 1tet s PHE 146 Cb -0.03 0.24 0.00 0.00 -0.34 0.00 0.00 43.02 42.89 1tet s PHE 146 CO 0.19 -0.36 0.00 -0.35 -1.46 0.00 0.00 175.22 173.25 1tet n PRO 147 N 2.42 0.43 -3.27 10.12 -0.04 -1.26 -0.26 135.00 143.13 1tet n PRO 147 Ca -0.15 0.00 -0.32 0.00 -0.04 0.00 0.00 63.50 62.99 1tet n PRO 147 Cb 0.56 0.00 -0.06 0.00 -0.04 0.00 0.00 33.50 33.96 1tet n PRO 147 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 1tet s GLU 148 N -2.21 3.91 0.59 0.54 0.41 -1.26 -4.73 118.70 115.94 1tet s GLU 148 Ca 0.00 0.48 0.00 0.00 -0.41 0.00 0.00 54.97 55.05 1tet s GLU 148 Cb 0.00 -2.54 0.05 0.00 -1.78 0.00 0.00 34.13 29.86 1tet s GLU 148 CO 0.00 0.24 0.82 -1.25 -0.49 0.00 0.00 175.26 174.58 1tet s PRO 149 N -2.88 2.39 -0.01 0.39 0.04 -1.26 -4.99 135.00 128.69 1tet s PRO 149 Ca 0.51 -0.79 0.01 0.00 0.04 0.00 0.00 61.00 60.76 1tet s PRO 149 Cb -0.11 -2.44 0.00 0.00 0.04 0.00 0.00 34.50 31.99 1tet s PRO 149 CO 0.19 -0.86 -0.01 0.54 0.04 0.00 0.00 177.00 176.90 1tet s VAL 150 N -2.85 0.14 -0.10 -0.36 0.11 -1.26 -4.31 120.40 111.77 1tet s VAL 150 Ca 0.59 -0.04 0.01 0.00 -2.93 0.00 0.00 61.98 59.60 1tet s VAL 150 Cb -0.10 -0.15 -0.02 0.00 -1.53 0.00 0.00 36.38 34.58 1tet s VAL 150 CO 0.40 0.06 -0.12 -0.89 -3.33 0.00 0.00 175.10 171.22 1tet s THR 151 N 0.15 3.21 -0.06 5.04 2.01 -0.66 -4.98 115.64 120.36 1tet s THR 151 Ca -0.01 -0.63 0.04 0.00 0.31 0.00 0.00 61.69 61.40 1tet s THR 151 Cb -0.03 -2.32 -0.02 0.00 0.01 0.00 0.00 72.50 70.14 1tet s THR 151 CO -0.00 0.55 -0.18 -0.69 -0.69 0.00 0.00 174.62 173.60 1tet s VAL 152 N -0.14 2.68 0.25 3.82 1.01 -1.26 -1.06 120.40 125.71 1tet s VAL 152 Ca -0.00 -0.85 0.02 0.00 0.00 0.00 0.00 61.98 61.15 1tet s VAL 152 Cb -0.13 -2.03 -0.04 0.00 0.00 0.00 0.00 36.38 34.18 1tet s VAL 152 CO 0.03 0.58 0.18 0.42 0.00 0.00 0.00 175.10 176.31 1tet s THR 153 N -0.43 0.03 -0.10 3.92 -4.23 -0.55 -4.99 115.64 109.28 1tet s THR 153 Ca 0.05 -2.00 0.01 0.00 -1.18 0.00 0.00 61.69 58.56 1tet s THR 153 Cb -0.12 -2.50 0.02 0.00 1.34 0.00 0.00 72.50 71.24 1tet s THR 153 CO 0.02 0.00 -0.10 0.26 -0.54 0.00 0.00 174.62 174.26 1tet s TRP 154 N -3.87 1.55 -1.26 3.99 0.52 -1.26 -0.79 118.94 117.82 1tet s TRP 154 Ca 0.39 -0.72 -0.11 0.00 0.02 0.00 0.00 56.10 55.68 1tet s TRP 154 Cb 0.05 -1.22 -0.00 0.00 -1.15 0.00 0.00 33.47 31.15 1tet s TRP 154 CO 0.18 -0.45 0.63 0.09 0.02 0.00 0.00 176.95 177.42 1tet n ASN 155 N 4.54 -2.85 -4.38 2.95 3.02 0.04 -0.69 115.26 117.88 1tet n ASN 155 Ca -0.17 -1.00 -0.38 0.00 -0.03 0.00 0.00 54.58 53.01 1tet n ASN 155 Cb 0.51 -3.30 -0.06 0.00 -0.61 0.00 0.00 39.78 36.31 1tet n ASN 155 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 1tet n SER 156 N -2.83 -1.73 0.00 6.41 7.64 -1.26 -0.62 113.62 121.23 1tet n SER 156 Ca -0.20 -1.17 0.00 0.00 1.01 0.00 0.00 58.87 58.51 1tet n SER 156 Cb 0.64 -2.02 0.00 0.00 -1.01 0.00 0.00 64.21 61.81 1tet n SER 156 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1tet n GLY 157 N -1.45 2.10 0.00 0.23 0.00 0.14 -4.87 105.19 101.34 1tet n GLY 157 Ca 0.01 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.12 1tet n GLY 157 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1tet n SER 158 N 0.00 0.00 -3.81 1.61 3.41 0.21 -3.88 113.62 111.16 1tet n SER 158 Ca 0.00 -0.96 -0.29 0.00 -0.26 0.00 0.00 58.87 57.36 1tet n SER 158 Cb 0.00 0.00 -0.13 0.00 -0.26 0.00 0.00 64.21 63.82 1tet n SER 158 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 1tet s LEU 159 N -1.74 3.49 -0.20 1.04 2.96 -1.16 -4.89 118.68 118.18 1tet s LEU 159 Ca 0.27 -2.94 -0.16 0.00 -0.22 0.00 0.00 54.13 51.08 1tet s LEU 159 Cb 0.12 -1.30 -0.20 0.00 0.50 0.00 0.00 46.19 45.31 1tet s LEU 159 CO 0.21 -0.23 0.16 -1.54 -1.32 0.00 0.00 176.35 173.63 1tet n SER 160 N 3.16 1.95 -4.74 3.68 3.41 -1.25 -4.28 113.62 115.54 1tet n SER 160 Ca 0.10 0.33 -0.35 0.00 -0.26 0.00 0.00 58.87 58.69 1tet n SER 160 Cb 0.34 -0.90 0.07 0.00 -0.26 0.00 0.00 64.21 63.46 1tet n SER 160 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 1tet s SER 161 N -6.97 4.63 -0.02 4.04 0.01 -1.26 -3.67 113.70 110.46 1tet s SER 161 Ca -0.29 2.37 0.00 0.00 1.31 0.00 0.00 55.95 59.34 1tet s SER 161 Cb 0.07 -2.59 0.00 0.00 0.21 0.00 0.00 66.02 63.71 1tet s SER 161 CO 0.62 -1.97 0.00 0.61 0.41 0.00 0.00 173.24 172.91 1tet n GLY 162 N 0.42 0.31 3.91 3.44 0.00 -1.26 -4.63 105.19 107.37 1tet n GLY 162 Ca 0.14 -0.02 -0.32 0.00 0.00 0.00 0.00 46.02 45.82 1tet n GLY 162 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1tet s VAL 163 N -1.61 5.36 -0.16 1.61 1.01 -1.24 -1.94 120.40 123.43 1tet s VAL 163 Ca 0.00 -0.19 -0.08 0.00 0.00 0.00 0.00 61.98 61.70 1tet s VAL 163 Cb 0.00 -3.59 0.06 0.00 0.00 0.00 0.00 36.38 32.85 1tet s VAL 163 CO 0.00 0.21 0.38 -1.00 0.00 0.00 0.00 175.10 174.70 1tet s HIS 164 N -1.45 -0.59 -0.16 5.22 3.76 -0.03 -4.94 115.29 117.09 1tet s HIS 164 Ca 0.32 1.25 -0.03 0.00 -0.15 0.00 0.00 55.06 56.46 1tet s HIS 164 Cb -0.13 0.23 -0.02 0.00 1.11 0.00 0.00 32.58 33.77 1tet s HIS 164 CO 0.23 -0.35 -0.06 0.99 -0.85 0.00 0.00 174.74 174.70 1tet s THR 165 N 1.62 3.58 0.26 1.30 2.01 -1.26 -0.16 115.64 122.99 1tet s THR 165 Ca -0.08 -0.46 -0.13 0.00 0.31 0.00 0.00 61.69 61.33 1tet s THR 165 Cb -0.09 -2.57 -0.08 0.00 0.01 0.00 0.00 72.50 69.77 1tet s THR 165 CO -0.12 0.48 0.63 -0.36 -0.69 0.00 0.00 174.62 174.57 1tet s PHE 166 N 0.59 3.44 0.33 4.92 0.08 -0.50 -4.99 117.98 121.84 1tet s PHE 166 Ca -0.04 1.06 -0.26 0.00 0.12 0.00 0.00 56.93 57.81 1tet s PHE 166 Cb -0.15 -2.40 -0.13 0.00 -0.57 0.00 0.00 43.02 39.77 1tet s PHE 166 CO 0.03 0.22 0.89 -0.35 -0.10 0.00 0.00 175.22 175.91 1tet n PRO 167 N -0.06 1.10 -1.77 0.24 -0.04 -1.26 -4.38 135.00 128.83 1tet n PRO 167 Ca 0.01 0.39 -0.41 0.00 -0.04 0.00 0.00 63.50 63.45 1tet n PRO 167 Cb 0.53 -1.75 0.00 0.00 -0.04 0.00 0.00 33.50 32.23 1tet n PRO 167 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1tet n ALA 168 N -0.12 2.34 -2.60 0.55 0.00 -1.26 -4.79 120.51 114.64 1tet n ALA 168 Ca 0.11 0.34 -0.31 0.00 0.00 0.00 0.00 53.44 53.58 1tet n ALA 168 Cb 0.34 -2.42 -0.10 0.00 0.00 0.00 0.00 19.45 17.28 1tet n ALA 168 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1tet s VAL 169 N -1.12 3.55 -0.12 0.00 1.01 -0.21 -4.91 120.40 118.59 1tet s VAL 169 Ca 0.53 -1.06 -0.12 0.00 0.00 0.00 0.00 61.98 61.33 1tet s VAL 169 Cb -0.48 -2.62 -0.05 0.00 0.00 0.00 0.00 36.38 33.23 1tet s VAL 169 CO 0.64 0.21 0.26 -0.22 0.00 0.00 0.00 175.10 175.99 1tet s LEU 170 N -1.95 4.32 -0.28 3.92 2.96 -1.26 -1.28 118.68 125.11 1tet s LEU 170 Ca 0.21 0.56 -0.07 0.00 -0.22 0.00 0.00 54.13 54.61 1tet s LEU 170 Cb -0.11 -2.32 0.14 0.00 0.50 0.00 0.00 46.19 44.40 1tet s LEU 170 CO 0.12 0.22 0.58 0.00 -1.32 0.00 0.00 176.35 175.95 1tet s GLN 171 N -0.17 0.52 1.97 1.98 -2.07 0.20 -4.99 119.66 117.10 1tet s GLN 171 Ca 0.17 1.22 0.00 0.00 -1.82 0.00 0.00 55.36 54.92 1tet s GLN 171 Cb -0.13 0.62 0.00 0.00 -1.09 0.00 0.00 33.01 32.41 1tet s GLN 171 CO 0.05 -0.34 0.00 0.43 -1.32 0.00 0.00 175.29 174.11 1tet n SER 172 N 5.43 0.00 0.00 12.60 7.64 -1.26 -3.31 113.62 134.72 1tet n SER 172 Ca -0.08 0.00 0.14 0.00 1.01 0.00 0.00 58.87 59.94 1tet n SER 172 Cb 0.50 0.00 0.71 0.00 -1.01 0.00 0.00 64.21 64.41 1tet n SER 172 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 1tet n ASP 173 N 0.82 0.00 -4.62 6.43 2.03 -1.26 -4.95 116.55 115.00 1tet n ASP 173 Ca 0.00 -0.08 -0.27 0.00 0.52 0.00 0.00 54.79 54.96 1tet n ASP 173 Cb 0.00 -0.30 -0.08 0.00 -0.72 0.00 0.00 41.12 40.02 1tet n ASP 173 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 1tet s LEU 174 N -2.60 3.16 0.16 -2.67 1.43 -1.21 -4.82 118.68 112.14 1tet s LEU 174 Ca 0.26 -0.47 0.03 0.00 -1.03 0.00 0.00 54.13 52.92 1tet s LEU 174 Cb 0.19 -1.84 -0.04 0.00 0.03 0.00 0.00 46.19 44.54 1tet s LEU 174 CO 0.44 0.10 0.28 -0.31 0.23 0.00 0.00 176.35 177.09 1tet s TYR 175 N -1.69 3.45 0.02 0.29 1.51 0.29 -0.62 117.35 120.60 1tet s TYR 175 Ca 0.26 0.10 0.00 0.00 -1.01 0.00 0.00 57.07 56.42 1tet s TYR 175 Cb -0.09 -1.65 -0.02 0.00 -0.11 0.00 0.00 41.96 40.09 1tet s TYR 175 CO 0.17 0.51 -0.04 0.99 -1.11 0.00 0.00 175.55 176.07 1tet s THR 176 N -1.76 0.18 0.09 -0.71 2.01 -0.40 -0.87 115.64 114.19 1tet s THR 176 Ca 0.34 -0.86 -0.20 0.00 0.31 0.00 0.00 61.69 61.28 1tet s THR 176 Cb -0.11 -0.30 0.05 0.00 0.01 0.00 0.00 72.50 72.15 1tet s THR 176 CO 0.28 -0.44 0.48 -1.48 -0.69 0.00 0.00 174.62 172.78 1tet s LEU 177 N -1.35 0.05 0.21 4.42 0.05 -0.83 -1.05 118.68 120.18 1tet s LEU 177 Ca -0.14 -0.05 0.12 0.00 0.05 0.00 0.00 54.13 54.11 1tet s LEU 177 Cb -0.09 2.07 -0.05 0.00 -2.05 0.00 0.00 46.19 46.08 1tet s LEU 177 CO -0.01 -0.81 -0.23 -0.94 -0.55 0.00 0.00 176.35 173.82 1tet s SER 178 N -2.41 3.49 0.03 1.48 1.04 -1.26 -0.73 113.70 115.33 1tet s SER 178 Ca -0.01 -0.90 0.03 0.00 0.48 0.00 0.00 55.95 55.54 1tet s SER 178 Cb 0.00 -0.27 -0.02 0.00 0.10 0.00 0.00 66.02 65.83 1tet s SER 178 CO -0.07 0.10 -0.09 -0.55 0.98 0.00 0.00 173.24 173.61 1tet s SER 179 N -2.87 0.97 0.07 7.02 0.15 -0.91 -1.42 113.70 116.72 1tet s SER 179 Ca 0.23 -0.39 0.04 0.00 0.70 0.00 0.00 55.95 56.53 1tet s SER 179 Cb -0.07 -0.03 -0.03 0.00 -1.71 0.00 0.00 66.02 64.18 1tet s SER 179 CO 0.11 -0.07 -0.11 -0.94 1.20 0.00 0.00 173.24 173.43 1tet s SER 180 N -1.03 1.41 -0.02 5.45 1.04 0.78 -2.25 113.70 119.07 1tet s SER 180 Ca -0.04 -0.67 0.01 0.00 0.48 0.00 0.00 55.95 55.74 1tet s SER 180 Cb -0.07 -0.01 0.01 0.00 0.10 0.00 0.00 66.02 66.05 1tet s SER 180 CO 0.00 -0.17 -0.01 0.54 0.98 0.00 0.00 173.24 174.58 1tet s VAL 181 N -1.68 0.22 -0.19 5.02 0.11 0.27 -0.85 120.40 123.30 1tet s VAL 181 Ca -0.01 -0.01 -0.04 0.00 -2.93 0.00 0.00 61.98 58.98 1tet s VAL 181 Cb -0.08 -0.25 -0.02 0.00 -1.53 0.00 0.00 36.38 34.50 1tet s VAL 181 CO 0.01 0.11 -0.02 -0.89 -3.33 0.00 0.00 175.10 170.98 1tet s THR 182 N 0.55 3.81 0.21 5.04 2.01 -0.82 -0.89 115.64 125.56 1tet s THR 182 Ca -0.06 -0.37 0.07 0.00 0.31 0.00 0.00 61.69 61.65 1tet s THR 182 Cb -0.08 -2.70 -0.05 0.00 0.01 0.00 0.00 72.50 69.67 1tet s THR 182 CO -0.01 0.45 -0.13 -0.69 -0.69 0.00 0.00 174.62 173.55 1tet s VAL 183 N 0.83 1.70 0.23 3.82 1.01 -0.28 -4.64 120.40 123.07 1tet s VAL 183 Ca -0.00 -2.20 -0.31 0.00 0.00 0.00 0.00 61.98 59.47 1tet s VAL 183 Cb -0.14 -2.10 -0.11 0.00 0.00 0.00 0.00 36.38 34.03 1tet s VAL 183 CO 0.02 -0.56 1.60 -2.84 0.00 0.00 0.00 175.10 173.32 1tet s PRO 184 N -3.66 4.17 0.22 2.72 0.02 -1.26 0.16 135.00 137.37 1tet s PRO 184 Ca 0.23 2.48 -0.08 0.00 0.02 0.00 0.00 61.00 63.65 1tet s PRO 184 Cb 0.00 -3.09 0.34 0.00 0.02 0.00 0.00 34.50 31.77 1tet s PRO 184 CO 0.07 -0.63 1.71 0.77 -0.33 0.00 0.00 177.00 178.60 1tet h SER 185 N 5.97 0.07 0.39 2.53 0.02 -0.82 -2.21 113.55 119.50 1tet h SER 185 Ca -0.44 0.11 -0.02 0.00 -0.84 0.00 0.00 61.79 60.60 1tet h SER 185 Cb 1.21 0.14 -0.00 0.00 0.14 0.00 0.00 62.40 63.88 1tet h SER 185 CO 0.87 0.03 -0.08 0.77 -1.14 0.00 0.00 176.83 177.29 1tet h SER 186 N 0.31 0.00 -0.18 3.07 4.64 -1.94 -2.46 113.55 117.00 1tet h SER 186 Ca 0.34 0.00 0.04 0.00 -0.47 0.00 0.00 61.79 61.70 1tet h SER 186 Cb 0.51 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.56 1tet h SER 186 CO -0.40 0.08 -0.05 -0.65 -0.87 0.00 0.00 176.83 174.93 1tet h PRO 187 N 0.00 -0.01 -5.80 4.77 0.11 -1.79 -3.44 132.00 125.85 1tet h PRO 187 Ca -0.00 0.00 -0.61 0.00 0.11 0.00 0.00 66.00 65.50 1tet h PRO 187 Cb 0.29 0.00 -0.07 0.00 0.11 0.00 0.00 31.00 31.34 1tet h PRO 187 CO 0.01 -0.01 -0.28 0.50 -0.21 0.00 0.00 178.00 178.02 1tet s ARG 188 N -6.20 3.95 -0.00 1.05 3.00 -0.93 -0.17 118.95 119.65 1tet s ARG 188 Ca -0.13 0.24 0.09 0.00 -1.00 0.00 0.00 55.73 54.93 1tet s ARG 188 Cb 0.10 -3.28 0.25 0.00 0.00 0.00 0.00 34.95 32.02 1tet s ARG 188 CO 0.68 0.55 1.20 -0.35 0.00 0.00 0.00 175.30 177.39 1tet n PRO 189 N 2.42 1.66 -0.02 5.12 -0.04 -1.26 -4.89 135.00 138.00 1tet n PRO 189 Ca -0.14 -1.01 -0.09 0.00 -0.04 0.00 0.00 63.50 62.21 1tet n PRO 189 Cb 0.53 -1.23 -0.03 0.00 -0.04 0.00 0.00 33.50 32.73 1tet n PRO 189 CO 0.00 0.00 0.00 0.77 -0.04 0.00 0.00 175.50 176.23 1tet h SER 190 N 1.64 -0.23 -3.46 3.54 0.02 -0.85 -3.36 113.55 110.85 1tet h SER 190 Ca 0.00 0.06 -0.72 0.00 -0.84 0.00 0.00 61.79 60.29 1tet h SER 190 Cb 0.39 0.13 -0.25 0.00 0.14 0.00 0.00 62.40 62.80 1tet h SER 190 CO 0.00 -0.09 -0.45 -1.61 -1.14 0.00 0.00 176.83 173.54 1tet s GLU 191 N -6.19 2.76 0.13 3.45 2.02 0.12 -5.04 118.70 115.97 1tet s GLU 191 Ca -0.14 -1.31 -0.35 0.00 0.02 0.00 0.00 54.97 53.20 1tet s GLU 191 Cb 0.10 -3.85 -0.16 0.00 0.10 0.00 0.00 34.13 30.32 1tet s GLU 191 CO 0.68 -0.89 1.36 2.41 0.02 0.00 0.00 175.26 178.85 1tet n THR 192 N 5.01 0.26 -4.09 3.63 -1.04 -1.26 -4.52 114.28 112.28 1tet n THR 192 Ca -0.11 -0.07 -0.35 0.00 -2.04 0.00 0.00 64.05 61.49 1tet n THR 192 Cb 0.44 -1.05 -0.14 0.00 -1.82 0.00 0.00 70.33 67.77 1tet n THR 192 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 1tet s VAL 193 N 0.39 3.43 -0.02 12.58 1.01 -1.26 -4.99 120.40 131.55 1tet s VAL 193 Ca 0.79 -0.48 0.05 0.00 0.00 0.00 0.00 61.98 62.34 1tet s VAL 193 Cb -0.84 -2.54 -0.01 0.00 0.00 0.00 0.00 36.38 32.99 1tet s VAL 193 CO 0.46 0.44 -0.17 -0.89 0.00 0.00 0.00 175.10 174.95 1tet s THR 194 N 1.17 1.36 -0.06 3.92 2.01 -1.26 -1.27 115.64 121.51 1tet s THR 194 Ca 0.02 -0.71 -0.18 0.00 0.31 0.00 0.00 61.69 61.13 1tet s THR 194 Cb -0.14 -1.14 -0.05 0.00 0.01 0.00 0.00 72.50 71.17 1tet s THR 194 CO -0.01 0.39 0.50 0.00 -0.69 0.00 0.00 174.62 174.81 1tet s ASN 196 N 0.04 2.61 -0.09 0.00 -0.87 0.03 -0.44 114.94 116.22 1tet s ASN 196 Ca 0.27 -0.46 -0.01 0.00 -1.57 0.00 0.00 52.86 51.09 1tet s ASN 196 Cb -0.16 -1.15 0.03 0.00 -0.02 0.00 0.00 41.25 39.95 1tet s ASN 196 CO 0.13 0.12 -0.03 -0.69 -2.57 0.00 0.00 177.10 174.06 1tet s VAL 197 N 0.40 0.66 -0.14 1.60 1.01 0.41 -1.49 120.40 122.86 1tet s VAL 197 Ca -0.16 -0.08 -0.03 0.00 0.00 0.00 0.00 61.98 61.71 1tet s VAL 197 Cb -0.17 -0.77 -0.03 0.00 0.00 0.00 0.00 36.38 35.41 1tet s VAL 197 CO 0.07 0.28 -0.05 0.00 0.00 0.00 0.00 175.10 175.40 1tet s ALA 198 N 1.86 2.98 -0.30 5.51 0.00 -0.22 -0.58 121.76 131.01 1tet s ALA 198 Ca 0.05 -0.83 0.03 0.00 0.00 0.00 0.00 51.96 51.20 1tet s ALA 198 Cb -0.13 -1.47 0.08 0.00 0.00 0.00 0.00 23.12 21.60 1tet s ALA 198 CO -0.07 0.29 -0.02 -1.58 0.00 0.00 0.00 175.76 174.39 1tet s HIS 199 N 0.11 3.29 0.21 0.00 2.46 -0.05 -1.65 115.29 119.66 1tet s HIS 199 Ca -0.01 -2.53 -0.10 0.00 0.47 0.00 0.00 55.06 52.89 1tet s HIS 199 Cb -0.14 -2.33 0.20 0.00 -0.13 0.00 0.00 32.58 30.18 1tet s HIS 199 CO 0.03 -0.90 1.84 -1.35 -2.47 0.00 0.00 174.74 171.89 1tet h PRO 200 N 7.74 0.83 0.00 2.88 0.11 -1.82 -2.62 132.00 139.12 1tet h PRO 200 Ca -0.12 -0.05 -0.01 0.00 0.11 0.00 0.00 66.00 65.93 1tet h PRO 200 Cb 1.03 -0.19 -0.00 0.00 0.11 0.00 0.00 31.00 31.96 1tet h PRO 200 CO 0.48 0.55 -0.05 0.00 -0.21 0.00 0.00 178.00 178.76 1tet h ALA 201 N 1.31 1.56 -0.47 -0.75 0.00 -1.93 -0.38 119.26 118.61 1tet h ALA 201 Ca 0.29 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.15 1tet h ALA 201 Cb 0.04 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.82 1tet h ALA 201 CO -0.12 0.07 0.00 -1.13 0.00 0.00 0.00 179.25 178.07 1tet n SER 202 N -3.97 3.56 -4.11 0.00 3.41 -1.14 -4.96 113.62 106.40 1tet n SER 202 Ca -0.03 -2.20 -0.32 0.00 -0.26 0.00 0.00 58.87 56.07 1tet n SER 202 Cb 0.14 -0.38 -0.03 0.00 -0.26 0.00 0.00 64.21 63.69 1tet n SER 202 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1tet n SER 203 N 0.72 -2.07 -4.34 4.04 7.64 -0.15 -4.97 113.62 114.49 1tet n SER 203 Ca 0.18 -1.01 -0.30 0.00 1.01 0.00 0.00 58.87 58.75 1tet n SER 203 Cb 0.60 -2.87 -0.15 0.00 -1.01 0.00 0.00 64.21 60.79 1tet n SER 203 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 1tet s THR 204 N -3.59 2.11 -0.06 0.44 2.01 -1.02 -5.00 115.64 110.53 1tet s THR 204 Ca 0.43 -1.38 -0.02 0.00 0.31 0.00 0.00 61.69 61.03 1tet s THR 204 Cb -0.23 -1.80 0.03 0.00 0.01 0.00 0.00 72.50 70.51 1tet s THR 204 CO 0.91 0.35 0.05 -0.54 -0.69 0.00 0.00 174.62 174.71 1tet s LYS 205 N -1.24 0.10 -0.06 4.92 3.01 -1.26 -0.87 119.74 124.34 1tet s LYS 205 Ca 0.11 0.27 0.01 0.00 -1.01 0.00 0.00 55.97 55.35 1tet s LYS 205 Cb -0.10 -0.75 -0.03 0.00 -1.01 0.00 0.00 37.83 35.94 1tet s LYS 205 CO 0.02 -0.36 -0.06 0.08 0.51 0.00 0.00 175.35 175.54 1tet s VAL 206 N 2.12 3.77 -0.14 3.17 1.01 0.25 -4.94 120.40 125.63 1tet s VAL 206 Ca 0.05 -0.48 0.02 0.00 0.00 0.00 0.00 61.98 61.57 1tet s VAL 206 Cb -0.12 -2.55 0.01 0.00 0.00 0.00 0.00 36.38 33.71 1tet s VAL 206 CO -0.04 0.58 -0.20 -1.81 0.00 0.00 0.00 175.10 173.63 1tet s ASP 207 N -0.87 2.97 -0.26 3.32 1.01 -1.26 -0.44 116.67 121.14 1tet s ASP 207 Ca 0.13 -0.57 0.00 0.00 0.71 0.00 0.00 52.55 52.82 1tet s ASP 207 Cb -0.11 -1.37 0.04 0.00 1.01 0.00 0.00 42.92 42.49 1tet s ASP 207 CO 0.02 0.04 -0.08 -0.54 0.21 0.00 0.00 175.17 174.82 1tet s LYS 208 N 1.00 2.53 -0.09 8.23 -0.14 0.42 -4.97 119.74 126.73 1tet s LYS 208 Ca -0.03 -1.17 -0.24 0.00 -1.36 0.00 0.00 55.97 53.17 1tet s LYS 208 Cb -0.15 -2.94 -0.03 0.00 -1.68 0.00 0.00 37.83 33.04 1tet s LYS 208 CO -0.05 -0.49 0.75 0.21 -0.76 0.00 0.00 175.35 175.01 1tet s LYS 209 N 1.22 4.40 -0.24 1.68 2.20 -1.26 -0.51 119.74 127.24 1tet s LYS 209 Ca -0.04 0.95 -0.29 0.00 -0.36 0.00 0.00 55.97 56.23 1tet s LYS 209 Cb -0.18 -3.48 0.01 0.00 -1.51 0.00 0.00 37.83 32.66 1tet s LYS 209 CO -0.05 -0.05 1.07 0.42 -0.36 0.00 0.00 175.35 176.38 1tet s ILE 210 N 1.19 4.61 0.10 5.43 -1.09 -0.40 -4.98 121.20 126.06 1tet s ILE 210 Ca 0.39 1.93 0.09 0.00 -2.23 0.00 0.00 60.65 60.82 1tet s ILE 210 Cb -0.18 -4.29 -0.04 0.00 -1.58 0.00 0.00 42.46 36.38 1tet s ILE 210 CO 0.17 -0.22 -0.19 0.68 -1.23 0.00 0.00 174.94 174.16 1tet s VAL 211 N 3.31 2.77 0.23 2.92 -7.23 -1.26 -4.65 120.40 116.48 1tet s VAL 211 Ca 0.46 -1.45 -0.32 0.00 -1.81 0.00 0.00 61.98 58.86 1tet s VAL 211 Cb -0.15 -2.24 -0.14 0.00 0.56 0.00 0.00 36.38 34.41 1tet s VAL 211 CO 0.08 0.16 1.37 -2.65 -0.31 0.00 0.00 175.10 173.75 1tet n PRO 212 N 1.00 1.89 0.00 4.82 -0.02 -1.26 -4.79 135.00 136.64 1tet n PRO 212 Ca -0.16 0.67 0.14 0.00 -2.02 0.00 0.00 63.50 62.14 1tet n PRO 212 Cb 0.53 -2.31 0.53 0.00 -0.02 0.00 0.00 33.50 32.23 1tet n PRO 212 CO 0.00 0.00 0.00 2.89 1.98 0.00 0.00 175.50 180.37