#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ixt s VAL 2 N 0.00 2.81 0.21 -0.39 1.01 -1.26 -4.52 120.40 118.26 3ixt s VAL 2 Ca 0.00 0.47 0.08 0.00 0.00 0.00 0.00 61.98 62.53 3ixt s VAL 2 Cb 0.00 -3.30 -0.05 0.00 0.00 0.00 0.00 36.38 33.03 3ixt s VAL 2 CO 0.00 0.02 -0.15 0.42 0.00 0.00 0.00 175.10 175.39 3ixt s THR 3 N 1.80 1.80 -0.09 3.92 -4.23 -0.78 -4.95 115.64 113.11 3ixt s THR 3 Ca 0.72 -2.22 -0.06 0.00 -1.18 0.00 0.00 61.69 58.94 3ixt s THR 3 Cb -0.42 -2.06 0.04 0.00 1.34 0.00 0.00 72.50 71.40 3ixt s THR 3 CO 0.32 -0.58 0.23 -0.76 -0.54 0.00 0.00 174.62 173.29 3ixt s LEU 4 N -3.32 0.72 -0.15 4.79 1.43 -1.26 -2.17 118.68 118.72 3ixt s LEU 4 Ca 0.23 0.48 -0.01 0.00 -1.03 0.00 0.00 54.13 53.80 3ixt s LEU 4 Cb -0.01 0.73 0.04 0.00 0.03 0.00 0.00 46.19 46.98 3ixt s LEU 4 CO 0.07 -0.13 -0.04 -0.60 0.23 0.00 0.00 176.35 175.88 3ixt s ARG 5 N 0.79 1.29 0.50 1.70 3.52 -0.06 -3.81 118.95 122.89 3ixt s ARG 5 Ca -0.06 -0.42 -0.18 0.00 -0.13 0.00 0.00 55.73 54.94 3ixt s ARG 5 Cb -0.07 -1.88 -0.08 0.00 -1.56 0.00 0.00 34.95 31.36 3ixt s ARG 5 CO -0.05 -0.42 0.99 -1.21 -0.81 0.00 0.00 175.30 173.80 3ixt s GLU 6 N 1.69 3.94 -0.04 5.12 8.01 -1.26 -1.39 118.70 134.77 3ixt s GLU 6 Ca 0.01 1.05 -0.21 0.00 0.01 0.00 0.00 54.97 55.84 3ixt s GLU 6 Cb -0.15 -2.13 0.04 0.00 -4.31 0.00 0.00 34.13 27.58 3ixt s GLU 6 CO -0.08 -0.28 0.45 -1.54 0.01 0.00 0.00 175.26 173.83 3ixt s SER 7 N -2.74 -0.38 0.00 -0.19 1.04 0.28 -4.78 113.70 106.93 3ixt s SER 7 Ca 0.61 0.39 0.00 0.00 0.48 0.00 0.00 55.95 57.43 3ixt s SER 7 Cb -0.11 0.46 0.00 0.00 0.10 0.00 0.00 66.02 66.47 3ixt s SER 7 CO 0.27 -0.47 0.00 0.61 0.98 0.00 0.00 173.24 174.62 3ixt n GLY 8 N 1.31 -2.12 3.76 7.32 0.00 -1.26 -0.95 105.19 113.26 3ixt n GLY 8 Ca -0.20 -1.19 -0.39 0.00 0.00 0.00 0.00 46.02 44.25 3ixt n GLY 8 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3ixt s PRO 9 N -1.89 3.53 0.03 1.61 0.04 -1.26 -4.94 135.00 132.12 3ixt s PRO 9 Ca 0.00 2.15 0.12 0.00 0.04 0.00 0.00 61.00 63.31 3ixt s PRO 9 Cb 0.00 -2.46 -0.19 0.00 0.04 0.00 0.00 34.50 31.89 3ixt s PRO 9 CO 0.00 -0.85 0.86 0.00 0.04 0.00 0.00 177.00 177.05 3ixt h ALA 10 N 1.98 0.66 -4.38 8.56 0.00 -1.94 -3.42 119.26 120.72 3ixt h ALA 10 Ca -0.50 -1.19 -0.61 0.00 0.00 0.00 0.00 54.91 52.61 3ixt h ALA 10 Cb 1.27 0.29 -0.30 0.00 0.00 0.00 0.00 17.79 19.06 3ixt h ALA 10 CO 0.60 1.35 -0.86 -1.17 0.00 0.00 0.00 179.25 179.17 3ixt s LEU 11 N -6.18 2.03 -0.20 0.00 2.96 -1.26 -0.57 118.68 115.47 3ixt s LEU 11 Ca -0.03 -0.38 -0.12 0.00 -0.22 0.00 0.00 54.13 53.38 3ixt s LEU 11 Cb 0.08 -1.08 0.06 0.00 0.50 0.00 0.00 46.19 45.76 3ixt s LEU 11 CO 0.82 0.25 0.49 0.54 -1.32 0.00 0.00 176.35 177.13 3ixt s VAL 12 N -0.44 -0.02 0.71 1.68 0.11 -0.74 -4.95 120.40 116.75 3ixt s VAL 12 Ca 0.07 0.06 -0.14 0.00 -2.93 0.00 0.00 61.98 59.04 3ixt s VAL 12 Cb -0.08 -0.72 0.03 0.00 -1.53 0.00 0.00 36.38 34.07 3ixt s VAL 12 CO -0.00 0.02 1.12 -0.54 -3.33 0.00 0.00 175.10 172.37 3ixt s LYS 13 N 1.34 2.46 0.76 1.54 1.02 -1.26 -2.43 119.74 123.18 3ixt s LYS 13 Ca -0.09 1.40 -0.15 0.00 0.02 0.00 0.00 55.97 57.15 3ixt s LYS 13 Cb -0.07 -1.91 0.03 0.00 -0.52 0.00 0.00 37.83 35.37 3ixt s LYS 13 CO -0.13 -1.51 1.03 -2.30 -0.92 0.00 0.00 175.35 171.52 3ixt n PRO 14 N -2.84 0.39 0.00 -1.68 -0.02 -1.26 -2.34 135.00 127.25 3ixt n PRO 14 Ca 0.11 0.20 0.00 0.00 -2.02 0.00 0.00 63.50 61.78 3ixt n PRO 14 Cb 0.52 -2.29 0.00 0.00 -0.02 0.00 0.00 33.50 31.71 3ixt n PRO 14 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 3ixt n THR 15 N -2.80 0.00 -1.44 3.45 -2.24 0.62 -4.84 114.28 107.03 3ixt n THR 15 Ca 0.13 0.00 -0.30 0.00 -2.27 0.00 0.00 64.05 61.61 3ixt n THR 15 Cb 0.50 0.00 0.10 0.00 -2.10 0.00 0.00 70.33 68.82 3ixt n THR 15 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 3ixt s GLN 16 N 0.00 2.05 -0.08 -0.78 -0.21 -0.99 -3.31 119.66 116.34 3ixt s GLN 16 Ca 0.00 0.79 -0.12 0.00 0.02 0.00 0.00 55.36 56.04 3ixt s GLN 16 Cb 0.00 -1.90 -0.05 0.00 1.00 0.00 0.00 33.01 32.06 3ixt s GLN 16 CO 0.00 -1.68 0.30 0.99 -2.12 0.00 0.00 175.29 172.78 3ixt s THR 17 N -3.06 5.24 -0.13 -0.19 2.01 -1.26 -1.48 115.64 116.77 3ixt s THR 17 Ca 0.61 0.59 -0.13 0.00 0.31 0.00 0.00 61.69 63.06 3ixt s THR 17 Cb -0.15 -3.61 -0.05 0.00 0.01 0.00 0.00 72.50 68.70 3ixt s THR 17 CO 0.55 0.53 0.30 -0.22 -0.69 0.00 0.00 174.62 175.09 3ixt s LEU 18 N -0.58 4.30 -0.27 4.42 2.96 0.69 -4.93 118.68 125.27 3ixt s LEU 18 Ca 0.19 0.58 0.01 0.00 -0.22 0.00 0.00 54.13 54.70 3ixt s LEU 18 Cb -0.14 -2.38 0.08 0.00 0.50 0.00 0.00 46.19 44.24 3ixt s LEU 18 CO 0.08 0.17 -0.01 -0.89 -1.32 0.00 0.00 176.35 174.38 3ixt s THR 19 N 0.06 1.63 0.02 3.68 2.01 -1.26 -0.73 115.64 121.05 3ixt s THR 19 Ca 0.18 -1.52 -0.00 0.00 0.31 0.00 0.00 61.69 60.65 3ixt s THR 19 Cb -0.13 -2.00 -0.04 0.00 0.01 0.00 0.00 72.50 70.33 3ixt s THR 19 CO 0.05 -0.30 0.13 -0.76 -0.69 0.00 0.00 174.62 173.06 3ixt s LEU 20 N 1.30 4.08 -0.05 4.42 1.43 0.25 -4.53 118.68 125.58 3ixt s LEU 20 Ca 0.00 0.19 0.02 0.00 -1.03 0.00 0.00 54.13 53.32 3ixt s LEU 20 Cb -0.19 -2.51 0.01 0.00 0.03 0.00 0.00 46.19 43.53 3ixt s LEU 20 CO -0.10 0.24 -0.11 -0.89 0.23 0.00 0.00 176.35 175.72 3ixt s THR 21 N -1.31 1.03 -0.33 5.49 2.01 -0.12 -1.21 115.64 121.20 3ixt s THR 21 Ca 0.27 -0.44 -0.04 0.00 0.31 0.00 0.00 61.69 61.79 3ixt s THR 21 Cb -0.12 -0.94 0.05 0.00 0.01 0.00 0.00 72.50 71.50 3ixt s THR 21 CO 0.19 0.33 0.07 0.00 -0.69 0.00 0.00 174.62 174.52 3ixt s THR 23 N 1.31 4.94 0.36 0.00 2.01 -0.49 -1.81 115.64 121.95 3ixt s THR 23 Ca -0.02 0.03 0.04 0.00 0.31 0.00 0.00 61.69 62.05 3ixt s THR 23 Cb -0.20 -3.28 -0.06 0.00 0.01 0.00 0.00 72.50 68.98 3ixt s THR 23 CO 0.00 0.39 0.06 0.72 -0.69 0.00 0.00 174.62 175.10 3ixt s PHE 24 N 0.92 1.98 0.24 4.92 -0.12 -0.93 -0.88 117.98 124.11 3ixt s PHE 24 Ca 0.05 -0.98 -0.16 0.00 -0.05 0.00 0.00 56.93 55.79 3ixt s PHE 24 Cb -0.13 -1.33 0.01 0.00 -0.63 0.00 0.00 43.02 40.94 3ixt s PHE 24 CO 0.03 0.01 0.55 -1.54 -0.05 0.00 0.00 175.22 174.22 3ixt s SER 25 N -3.55 -0.18 0.00 1.98 1.04 -0.92 -4.88 113.70 107.19 3ixt s SER 25 Ca 0.33 -0.73 0.00 0.00 0.48 0.00 0.00 55.95 56.03 3ixt s SER 25 Cb 0.08 0.62 0.00 0.00 0.10 0.00 0.00 66.02 66.82 3ixt s SER 25 CO 0.15 -1.17 0.00 0.61 0.98 0.00 0.00 173.24 173.81 3ixt n GLY 26 N -0.39 3.27 3.34 7.32 0.00 -1.26 -1.86 105.19 115.61 3ixt n GLY 26 Ca -0.05 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.88 3ixt n GLY 26 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3ixt s PHE 27 N -2.58 0.12 -0.02 1.61 -0.12 -1.26 -4.77 117.98 110.96 3ixt s PHE 27 Ca 0.00 -0.49 0.03 0.00 -0.05 0.00 0.00 56.93 56.42 3ixt s PHE 27 Cb 0.00 0.10 -0.03 0.00 -0.63 0.00 0.00 43.02 42.46 3ixt s PHE 27 CO 0.00 -0.72 -0.09 0.45 -0.05 0.00 0.00 175.22 174.81 3ixt s SER 28 N -2.89 4.47 0.42 1.98 0.15 -1.26 -5.01 113.70 111.56 3ixt s SER 28 Ca 0.10 -0.14 0.26 0.00 0.70 0.00 0.00 55.95 56.87 3ixt s SER 28 Cb 0.02 -1.03 0.65 0.00 -1.71 0.00 0.00 66.02 63.96 3ixt s SER 28 CO -0.05 0.32 1.72 0.25 1.20 0.00 0.00 173.24 176.67 3ixt h LEU 29 N 4.88 0.00 -0.02 3.45 6.46 -1.94 -2.94 115.31 125.20 3ixt h LEU 29 Ca -0.48 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.28 3ixt h LEU 29 Cb 1.17 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 41.10 3ixt h LEU 29 CO 0.52 0.00 0.00 -1.54 -0.62 0.00 0.00 178.44 176.80 3ixt n SER 30 N -2.93 0.09 -4.74 1.25 3.41 -1.26 -4.05 113.62 105.38 3ixt n SER 30 Ca 0.03 0.51 -0.41 0.00 -0.26 0.00 0.00 58.87 58.75 3ixt n SER 30 Cb 0.45 -0.53 -0.04 0.00 -0.26 0.00 0.00 64.21 63.84 3ixt n SER 30 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 3ixt s THR 31 N -3.02 3.52 0.29 6.66 2.01 -1.11 -4.96 115.64 119.03 3ixt s THR 31 Ca 0.12 1.33 -0.30 0.00 0.31 0.00 0.00 61.69 63.15 3ixt s THR 31 Cb 0.16 -3.85 -0.11 0.00 0.01 0.00 0.00 72.50 68.71 3ixt s THR 31 CO 0.48 0.24 1.60 0.00 -0.69 0.00 0.00 174.62 176.24 3ixt s ALA 32 N -0.31 3.75 0.00 7.40 0.00 -1.26 -2.34 121.76 128.99 3ixt s ALA 32 Ca 0.51 1.58 0.00 0.00 0.00 0.00 0.00 51.96 54.05 3ixt s ALA 32 Cb -0.33 -3.65 0.00 0.00 0.00 0.00 0.00 23.12 19.14 3ixt s ALA 32 CO 0.38 -0.99 0.00 0.41 0.00 0.00 0.00 175.76 175.56 3ixt n GLY 33 N 2.16 1.35 3.82 0.00 0.00 -1.26 -5.02 105.19 106.24 3ixt n GLY 33 Ca 0.08 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.74 3ixt n GLY 33 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 3ixt s MET 34 N -0.80 4.17 0.05 1.61 -2.45 -0.99 -1.87 119.30 119.02 3ixt s MET 34 Ca 0.00 0.73 -0.10 0.00 -1.25 0.00 0.00 55.69 55.06 3ixt s MET 34 Cb 0.00 -2.99 0.01 0.00 1.25 0.00 0.00 34.83 33.10 3ixt s MET 34 CO 0.00 0.48 0.22 0.45 1.05 0.00 0.00 175.02 177.23 3ixt s SER 35 N -1.54 0.01 -0.04 1.11 0.15 0.36 -2.53 113.70 111.22 3ixt s SER 35 Ca 0.38 -0.38 0.03 0.00 0.70 0.00 0.00 55.95 56.67 3ixt s SER 35 Cb -0.17 0.32 0.00 0.00 -1.71 0.00 0.00 66.02 64.46 3ixt s SER 35 CO 0.20 -0.61 -0.12 -0.69 1.20 0.00 0.00 173.24 173.22 3ixt s VAL 35 N -2.86 1.02 0.16 4.45 1.01 -0.80 -0.62 120.40 122.75 3ixt s VAL 35 Ca -0.03 -0.48 0.08 0.00 0.00 0.00 0.00 61.98 61.56 3ixt s VAL 35 Cb 0.00 -0.90 -0.04 0.00 0.00 0.00 0.00 36.38 35.44 3ixt s VAL 35 CO -0.05 0.31 -0.18 -0.83 0.00 0.00 0.00 175.10 174.34 3ixt s GLY 35 N 0.25 1.37 -0.03 4.51 0.00 -0.10 -1.43 107.32 111.89 3ixt s GLY 35 Ca -0.05 -1.46 0.03 0.00 0.00 0.00 0.00 44.72 43.24 3ixt s GLY 35 CO 0.01 -1.51 -0.11 -0.98 0.00 0.00 0.00 173.10 170.51 3ixt s TRP 36 N -1.97 2.78 -0.07 1.90 0.52 0.30 -1.31 118.94 121.09 3ixt s TRP 36 Ca 0.15 -0.10 -0.06 0.00 0.02 0.00 0.00 56.10 56.11 3ixt s TRP 36 Cb -0.06 -1.63 0.02 0.00 -1.15 0.00 0.00 33.47 30.65 3ixt s TRP 36 CO 0.06 0.27 0.18 0.42 0.02 0.00 0.00 176.95 177.90 3ixt s ILE 37 N -0.83 -0.01 0.18 2.03 1.01 0.16 -1.46 121.20 122.28 3ixt s ILE 37 Ca 0.13 0.02 0.07 0.00 0.00 0.00 0.00 60.65 60.87 3ixt s ILE 37 Cb -0.11 -0.26 -0.04 0.00 0.01 0.00 0.00 42.46 42.06 3ixt s ILE 37 CO 0.03 0.01 -0.14 0.00 0.00 0.00 0.00 174.94 174.84 3ixt s ARG 38 N 0.24 1.21 -0.23 2.79 1.70 -0.64 0.15 118.95 124.18 3ixt s ARG 38 Ca -0.01 -1.49 -0.03 0.00 -0.47 0.00 0.00 55.73 53.73 3ixt s ARG 38 Cb -0.03 -0.99 0.07 0.00 -0.57 0.00 0.00 34.95 33.44 3ixt s ARG 38 CO -0.01 0.17 0.06 -1.14 -1.08 0.00 0.00 175.30 173.30 3ixt s GLN 39 N -3.44 0.60 0.74 3.89 0.74 0.32 -1.57 119.66 120.93 3ixt s GLN 39 Ca 0.18 -0.58 -0.13 0.00 0.05 0.00 0.00 55.36 54.88 3ixt s GLN 39 Cb -0.01 -1.97 0.04 0.00 1.10 0.00 0.00 33.01 32.18 3ixt s GLN 39 CO 0.05 -0.77 1.14 -2.14 -0.55 0.00 0.00 175.29 173.02 3ixt s PRO 40 N 1.84 2.25 0.15 1.67 0.02 -1.26 -1.75 135.00 137.91 3ixt s PRO 40 Ca 0.03 1.48 -0.34 0.00 0.02 0.00 0.00 61.00 62.18 3ixt s PRO 40 Cb -0.17 -1.87 -0.15 0.00 0.02 0.00 0.00 34.50 32.33 3ixt s PRO 40 CO -0.15 -1.70 1.48 -2.30 -0.33 0.00 0.00 177.00 174.00 3ixt n PRO 41 N -2.97 1.81 -3.39 5.54 -0.02 -1.26 -1.94 135.00 132.76 3ixt n PRO 41 Ca 0.11 0.65 -0.24 0.00 -2.02 0.00 0.00 63.50 62.00 3ixt n PRO 41 Cb 0.52 -2.37 0.01 0.00 -0.02 0.00 0.00 33.50 31.64 3ixt n PRO 41 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3ixt n GLY 42 N 3.01 -0.50 3.24 -1.23 0.00 -1.26 -4.97 105.19 103.48 3ixt n GLY 42 Ca 0.17 0.12 -0.13 0.00 0.00 0.00 0.00 46.02 46.17 3ixt n GLY 42 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3ixt s LYS 43 N -6.06 1.11 1.13 1.61 1.02 -0.82 -5.16 119.74 112.57 3ixt s LYS 43 Ca 0.43 -1.54 -0.18 0.00 0.02 0.00 0.00 55.97 54.70 3ixt s LYS 43 Cb -0.22 -0.23 0.26 0.00 -0.52 0.00 0.00 37.83 37.12 3ixt s LYS 43 CO 0.53 -0.15 1.15 0.00 -0.92 0.00 0.00 175.35 175.95 3ixt s ALA 44 N -3.69 0.97 0.23 5.17 0.00 -1.26 -4.58 121.76 118.59 3ixt s ALA 44 Ca 0.25 -0.92 -0.30 0.00 0.00 0.00 0.00 51.96 50.98 3ixt s ALA 44 Cb 0.06 -2.89 -0.09 0.00 0.00 0.00 0.00 23.12 20.20 3ixt s ALA 44 CO 0.04 -3.27 0.95 -0.51 0.00 0.00 0.00 175.76 172.97 3ixt s LEU 45 N -6.68 4.64 -0.12 0.00 1.43 -1.26 -4.41 118.68 112.28 3ixt s LEU 45 Ca 0.71 1.95 0.01 0.00 -1.03 0.00 0.00 54.13 55.76 3ixt s LEU 45 Cb -0.10 -3.61 0.02 0.00 0.03 0.00 0.00 46.19 42.53 3ixt s LEU 45 CO 0.55 0.13 -0.13 -0.70 0.23 0.00 0.00 176.35 176.43 3ixt s GLU 46 N -1.10 2.07 0.39 1.70 2.12 -0.61 -5.01 118.70 118.26 3ixt s GLU 46 Ca 0.42 -0.49 -0.25 0.00 0.36 0.00 0.00 54.97 55.01 3ixt s GLU 46 Cb -0.26 -1.85 -0.09 0.00 0.26 0.00 0.00 34.13 32.19 3ixt s GLU 46 CO 0.32 -0.14 1.07 -0.46 -0.54 0.00 0.00 175.26 175.51 3ixt s TRP 47 N 1.23 3.26 -0.01 5.30 -0.00 -1.26 -1.62 118.94 125.83 3ixt s TRP 47 Ca -0.02 1.63 -0.00 0.00 -0.00 0.00 0.00 56.10 57.71 3ixt s TRP 47 Cb -0.14 -3.19 -0.01 0.00 -0.00 0.00 0.00 33.47 30.14 3ixt s TRP 47 CO -0.05 -0.74 -0.02 1.28 -0.00 0.00 0.00 176.95 177.42 3ixt n LEU 48 N 0.05 0.97 -3.59 5.86 4.32 -0.54 -4.68 117.00 119.39 3ixt n LEU 48 Ca 0.04 0.01 -0.04 0.00 -0.02 0.00 0.00 56.01 56.00 3ixt n LEU 48 Cb 0.49 -0.04 -0.02 0.00 -1.62 0.00 0.00 43.42 42.23 3ixt n LEU 48 CO 0.47 0.18 0.89 0.00 -1.22 0.00 0.00 177.39 177.70 3ixt s ALA 49 N -2.03 -1.98 0.34 -1.18 0.00 -1.21 -0.89 121.76 114.82 3ixt s ALA 49 Ca -0.02 1.10 -0.11 0.00 0.00 0.00 0.00 51.96 52.93 3ixt s ALA 49 Cb 0.01 0.21 0.03 0.00 0.00 0.00 0.00 23.12 23.36 3ixt s ALA 49 CO 0.03 -0.75 0.63 0.16 0.00 0.00 0.00 175.76 175.83 3ixt s ASP 50 N -2.49 0.30 -0.02 0.00 -4.77 -0.66 -0.54 116.67 108.48 3ixt s ASP 50 Ca 0.09 -1.19 -0.24 0.00 -3.30 0.00 0.00 52.55 47.91 3ixt s ASP 50 Cb -0.00 0.74 0.05 0.00 -1.09 0.00 0.00 42.92 42.62 3ixt s ASP 50 CO -0.05 -1.45 0.52 -0.51 0.70 0.00 0.00 175.17 174.38 3ixt s ILE 51 N -2.93 0.03 0.45 2.11 2.07 -0.51 -2.07 121.20 120.35 3ixt s ILE 51 Ca 0.21 -0.21 0.03 0.00 -1.41 0.00 0.00 60.65 59.27 3ixt s ILE 51 Cb -0.03 -0.86 -0.04 0.00 0.13 0.00 0.00 42.46 41.66 3ixt s ILE 51 CO 0.14 -0.12 0.03 0.26 -1.91 0.00 0.00 174.94 173.34 3ixt s TRP 52 N -1.45 2.02 0.38 3.50 0.52 -0.28 -1.91 118.94 121.73 3ixt s TRP 52 Ca -0.11 -0.94 0.28 0.00 0.02 0.00 0.00 56.10 55.34 3ixt s TRP 52 Cb -0.02 -1.54 1.42 0.00 -1.15 0.00 0.00 33.47 32.18 3ixt s TRP 52 CO 0.06 0.17 2.05 0.11 0.02 0.00 0.00 176.95 179.36 3ixt h TRP 53 N 1.62 0.00 -0.49 -1.98 0.09 -1.63 -0.79 115.95 112.76 3ixt h TRP 53 Ca -0.42 0.00 0.00 0.00 0.09 0.00 0.00 58.89 58.56 3ixt h TRP 53 Cb 1.28 0.00 0.00 0.00 0.08 0.00 0.00 29.16 30.52 3ixt h TRP 53 CO 1.22 0.12 0.00 -0.40 0.09 0.00 0.00 178.44 179.48 3ixt n ASP 54 N -3.58 3.46 -0.07 0.11 5.68 -1.26 -4.89 116.55 116.00 3ixt n ASP 54 Ca -0.02 -2.26 -0.01 0.00 -0.50 0.00 0.00 54.79 52.00 3ixt n ASP 54 Cb 0.26 -0.47 -0.00 0.00 -1.14 0.00 0.00 41.12 39.77 3ixt n ASP 54 CO 0.00 0.00 0.00 -0.67 -1.33 0.00 0.00 177.20 175.20 3ixt n ASP 55 N 0.82 -3.88 -4.75 -1.12 2.03 -0.30 -5.00 116.55 104.35 3ixt n ASP 55 Ca 0.19 0.02 -0.41 0.00 0.52 0.00 0.00 54.79 55.11 3ixt n ASP 55 Cb 0.64 -1.46 -0.03 0.00 -0.72 0.00 0.00 41.12 39.55 3ixt n ASP 55 CO 0.00 0.00 0.00 -0.54 -1.92 0.00 0.00 177.20 174.74 3ixt s LYS 56 N -0.87 4.35 0.06 -0.67 1.02 -1.26 -4.76 119.74 117.61 3ixt s LYS 56 Ca 0.00 2.15 0.07 0.00 0.02 0.00 0.00 55.97 58.21 3ixt s LYS 56 Cb 0.00 -3.15 -0.03 0.00 -0.52 0.00 0.00 37.83 34.14 3ixt s LYS 56 CO 0.00 -0.28 -0.19 0.15 -0.92 0.00 0.00 175.35 174.12 3ixt s LYS 57 N -0.53 1.16 0.05 1.68 1.02 -1.26 -1.13 119.74 120.73 3ixt s LYS 57 Ca 0.56 -0.96 0.03 0.00 0.02 0.00 0.00 55.97 55.62 3ixt s LYS 57 Cb -0.39 -1.29 -0.02 0.00 -0.52 0.00 0.00 37.83 35.62 3ixt s LYS 57 CO 0.42 0.32 -0.10 -1.01 -0.92 0.00 0.00 175.35 174.06 3ixt s HIS 58 N -0.94 0.83 0.03 3.18 3.76 -0.88 -4.99 115.29 116.28 3ixt s HIS 58 Ca 0.05 -0.45 0.01 0.00 -0.15 0.00 0.00 55.06 54.52 3ixt s HIS 58 Cb -0.09 -0.49 -0.02 0.00 1.11 0.00 0.00 32.58 33.09 3ixt s HIS 58 CO 0.02 -0.04 -0.06 0.71 -0.85 0.00 0.00 174.74 174.53 3ixt s TYR 59 N -1.22 0.51 -0.35 1.40 2.02 -1.26 -1.66 117.35 116.79 3ixt s TYR 59 Ca -0.06 -0.52 -0.29 0.00 -0.37 0.00 0.00 57.07 55.83 3ixt s TYR 59 Cb -0.09 -0.32 0.02 0.00 -0.40 0.00 0.00 41.96 41.16 3ixt s TYR 59 CO 0.01 -0.13 1.07 1.21 -1.57 0.00 0.00 175.55 176.14 3ixt s ASN 60 N -1.55 6.86 0.52 2.29 3.84 -0.07 -4.92 114.94 121.91 3ixt s ASN 60 Ca -0.12 0.92 0.33 0.00 0.21 0.00 0.00 52.86 54.20 3ixt s ASN 60 Cb -0.10 -2.54 1.47 0.00 -0.55 0.00 0.00 41.25 39.54 3ixt s ASN 60 CO -0.00 -0.94 1.82 -0.65 -2.79 0.00 0.00 177.10 174.54 3ixt h PRO 61 N 8.30 0.06 -0.68 0.43 0.11 -1.95 0.27 132.00 138.54 3ixt h PRO 61 Ca -0.21 -0.00 0.04 0.00 0.11 0.00 0.00 66.00 65.94 3ixt h PRO 61 Cb 1.06 -0.01 -0.05 0.00 0.11 0.00 0.00 31.00 32.11 3ixt h PRO 61 CO 1.04 0.04 0.41 0.77 -0.21 0.00 0.00 178.00 180.05 3ixt h SER 62 N 0.06 0.65 -1.14 -2.05 0.02 -1.97 -2.70 113.55 106.42 3ixt h SER 62 Ca 0.54 0.01 -0.69 0.00 -0.84 0.00 0.00 61.79 60.81 3ixt h SER 62 Cb 2.02 -0.12 -0.29 0.00 0.14 0.00 0.00 62.40 64.14 3ixt h SER 62 CO -0.05 0.44 0.82 0.18 -1.14 0.00 0.00 176.83 177.08 3ixt n LEU 63 N -4.72 7.55 -4.43 5.07 4.77 0.08 -4.94 117.00 120.38 3ixt n LEU 63 Ca 0.08 -4.40 -0.30 0.00 -0.03 0.00 0.00 56.01 51.36 3ixt n LEU 63 Cb 0.12 -0.96 -0.13 0.00 -2.33 0.00 0.00 43.42 40.12 3ixt n LEU 63 CO 0.31 1.55 -0.52 -0.75 -1.33 0.00 0.00 177.39 176.65 3ixt s LYS 64 N -3.85 1.85 -1.00 3.23 2.47 -1.02 -2.43 119.74 118.98 3ixt s LYS 64 Ca 0.62 -1.11 -0.02 0.00 -1.56 0.00 0.00 55.97 53.90 3ixt s LYS 64 Cb 0.49 -2.09 0.30 0.00 -1.46 0.00 0.00 37.83 35.08 3ixt s LYS 64 CO -0.07 0.51 1.42 -0.40 0.16 0.00 0.00 175.35 176.96 3ixt n ASP 65 N 1.32 6.15 -0.65 1.43 5.68 -1.26 -5.01 116.55 124.20 3ixt n ASP 65 Ca -0.16 -3.47 0.08 0.00 -0.50 0.00 0.00 54.79 50.74 3ixt n ASP 65 Cb 0.52 -1.16 0.07 0.00 -1.14 0.00 0.00 41.12 39.42 3ixt n ASP 65 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 3ixt n ARG 66 N 1.02 1.27 -4.45 0.11 1.74 -1.02 -4.98 116.66 110.36 3ixt n ARG 66 Ca 0.29 -1.48 -0.35 0.00 -0.77 0.00 0.00 57.85 55.54 3ixt n ARG 66 Cb 0.33 -1.31 -0.10 0.00 -1.02 0.00 0.00 32.46 30.37 3ixt n ARG 66 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 3ixt s LEU 67 N -1.30 3.44 -0.08 0.55 1.02 -1.23 -1.41 118.68 119.66 3ixt s LEU 67 Ca 0.19 0.08 -0.03 0.00 0.02 0.00 0.00 54.13 54.39 3ixt s LEU 67 Cb 0.13 -1.78 0.04 0.00 0.02 0.00 0.00 46.19 44.61 3ixt s LEU 67 CO 0.20 0.36 0.08 -0.89 0.02 0.00 0.00 176.35 176.12 3ixt s THR 68 N -0.77 -0.12 -0.07 5.49 2.01 -0.71 -4.98 115.64 116.51 3ixt s THR 68 Ca 0.12 0.25 0.04 0.00 0.31 0.00 0.00 61.69 62.41 3ixt s THR 68 Cb -0.11 -0.29 -0.02 0.00 0.01 0.00 0.00 72.50 72.09 3ixt s THR 68 CO 0.02 0.04 -0.19 -0.51 -0.69 0.00 0.00 174.62 173.30 3ixt s ILE 69 N 2.17 2.64 0.17 1.82 2.07 -1.26 -0.74 121.20 128.08 3ixt s ILE 69 Ca 0.04 -0.86 -0.08 0.00 -1.41 0.00 0.00 60.65 58.35 3ixt s ILE 69 Cb -0.13 -2.02 -0.01 0.00 0.13 0.00 0.00 42.46 40.42 3ixt s ILE 69 CO -0.05 0.57 0.27 -0.94 -1.91 0.00 0.00 174.94 172.88 3ixt s SER 70 N -0.31 0.06 0.17 4.50 1.04 -0.73 -5.01 113.70 113.42 3ixt s SER 70 Ca 0.02 -0.96 0.03 0.00 0.48 0.00 0.00 55.95 55.52 3ixt s SER 70 Cb -0.13 0.43 -0.05 0.00 0.10 0.00 0.00 66.02 66.38 3ixt s SER 70 CO 0.02 -0.90 -0.03 -1.59 0.98 0.00 0.00 173.24 171.72 3ixt s LYS 71 N -4.00 1.11 -0.37 4.02 -2.85 -1.26 -1.12 119.74 115.28 3ixt s LYS 71 Ca 0.20 -1.52 0.03 0.00 -1.00 0.00 0.00 55.97 53.68 3ixt s LYS 71 Cb 0.04 -0.42 0.15 0.00 -2.06 0.00 0.00 37.83 35.54 3ixt s LYS 71 CO 0.02 -0.06 0.35 0.34 0.10 0.00 0.00 175.35 176.10 3ixt s ASP 72 N -3.18 1.45 0.61 0.03 -1.08 -0.18 -5.00 116.67 109.31 3ixt s ASP 72 Ca 0.22 -1.69 0.32 0.00 -0.52 0.00 0.00 52.55 50.88 3ixt s ASP 72 Cb 0.05 0.41 1.90 0.00 -1.46 0.00 0.00 42.92 43.81 3ixt s ASP 72 CO 0.03 -0.27 2.24 0.74 0.52 0.00 0.00 175.17 178.44 3ixt h THR 73 N 5.04 0.42 -0.47 1.71 2.02 -1.96 -1.60 112.91 118.06 3ixt h THR 73 Ca 0.05 0.00 0.02 0.00 0.77 0.00 0.00 66.41 67.26 3ixt h THR 73 Cb 1.04 0.96 -0.03 0.00 -1.74 0.00 0.00 68.15 68.38 3ixt h THR 73 CO 0.21 0.00 0.28 0.28 0.37 0.00 0.00 175.52 176.66 3ixt h SER 74 N 0.00 0.44 -0.57 4.18 0.02 -1.95 -2.84 113.55 112.84 3ixt h SER 74 Ca 0.01 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.97 3ixt h SER 74 Cb 0.10 -0.09 0.00 0.00 0.14 0.00 0.00 62.40 62.55 3ixt h SER 74 CO -0.00 0.31 0.00 0.29 -1.14 0.00 0.00 176.83 176.29 3ixt n LYS 75 N -4.83 2.63 -3.81 3.45 5.02 -0.66 -4.97 118.16 115.00 3ixt n LYS 75 Ca 0.03 -2.50 -0.25 0.00 -2.02 0.00 0.00 58.31 53.57 3ixt n LYS 75 Cb 0.07 -1.55 0.02 0.00 -0.02 0.00 0.00 35.03 33.56 3ixt n LYS 75 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 3ixt n ASN 76 N 1.60 -2.31 -3.98 4.39 3.02 -0.87 -4.83 115.26 112.27 3ixt n ASN 76 Ca 0.22 -0.83 -0.09 0.00 -0.03 0.00 0.00 54.58 53.85 3ixt n ASN 76 Cb 0.62 -3.86 -0.10 0.00 -0.61 0.00 0.00 39.78 35.83 3ixt n ASN 76 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3ixt s GLN 77 N -6.28 0.49 0.01 3.52 -2.07 -1.11 -2.20 119.66 112.03 3ixt s GLN 77 Ca 0.24 -0.79 0.07 0.00 -1.82 0.00 0.00 55.36 53.05 3ixt s GLN 77 Cb -0.12 0.18 -0.02 0.00 -1.09 0.00 0.00 33.01 31.96 3ixt s GLN 77 CO 0.83 -0.10 -0.20 0.08 -1.32 0.00 0.00 175.29 174.58 3ixt s VAL 78 N -2.45 1.59 -0.05 3.63 1.01 -0.75 -1.01 120.40 122.36 3ixt s VAL 78 Ca -0.07 -1.00 0.05 0.00 0.00 0.00 0.00 61.98 60.96 3ixt s VAL 78 Cb -0.02 -1.35 -0.01 0.00 0.00 0.00 0.00 36.38 35.00 3ixt s VAL 78 CO -0.04 0.32 -0.21 -0.69 0.00 0.00 0.00 175.10 174.48 3ixt s VAL 79 N -0.62 1.75 -0.10 2.92 1.01 -0.27 -0.18 120.40 124.90 3ixt s VAL 79 Ca 0.07 -0.89 0.03 0.00 0.00 0.00 0.00 61.98 61.19 3ixt s VAL 79 Cb -0.08 -1.49 -0.00 0.00 0.00 0.00 0.00 36.38 34.80 3ixt s VAL 79 CO 0.00 0.49 -0.21 -0.22 0.00 0.00 0.00 175.10 175.16 3ixt s LEU 80 N -0.05 2.24 -0.10 3.92 2.96 -0.35 -1.78 118.68 125.52 3ixt s LEU 80 Ca -0.04 -0.50 0.01 0.00 -0.22 0.00 0.00 54.13 53.38 3ixt s LEU 80 Cb -0.13 -1.46 -0.02 0.00 0.50 0.00 0.00 46.19 45.09 3ixt s LEU 80 CO 0.03 0.17 -0.12 -0.54 -1.32 0.00 0.00 176.35 174.57 3ixt s LYS 81 N 0.30 3.10 -0.19 1.98 1.02 0.08 -0.59 119.74 125.44 3ixt s LYS 81 Ca -0.16 -0.66 0.01 0.00 0.02 0.00 0.00 55.97 55.18 3ixt s LYS 81 Cb -0.17 -2.58 0.03 0.00 -0.52 0.00 0.00 37.83 34.59 3ixt s LYS 81 CO 0.08 0.37 -0.17 0.08 -0.92 0.00 0.00 175.35 174.80 3ixt s VAL 82 N -0.06 1.94 0.49 3.17 1.01 0.09 -1.73 120.40 125.31 3ixt s VAL 82 Ca -0.02 -1.00 -0.03 0.00 0.00 0.00 0.00 61.98 60.93 3ixt s VAL 82 Cb -0.14 -1.84 -0.01 0.00 0.00 0.00 0.00 36.38 34.39 3ixt s VAL 82 CO 0.04 0.40 0.76 0.42 0.00 0.00 0.00 175.10 176.72 3ixt s THR 82 N 1.31 4.31 -1.04 3.92 -4.23 -0.50 -0.22 115.64 119.19 3ixt s THR 82 Ca 0.02 -0.12 -0.17 0.00 -1.18 0.00 0.00 61.69 60.24 3ixt s THR 82 Cb -0.14 -3.64 0.00 0.00 1.34 0.00 0.00 72.50 70.06 3ixt s THR 82 CO -0.11 -0.56 0.73 -3.20 -0.54 0.00 0.00 174.62 170.93 3ixt n ASN 82 N -2.25 -5.32 -4.77 3.99 5.15 -1.21 -4.89 115.26 105.97 3ixt n ASN 82 Ca 0.01 -0.95 -0.37 0.00 -0.60 0.00 0.00 54.58 52.67 3ixt n ASN 82 Cb 0.57 -2.93 -0.01 0.00 -0.53 0.00 0.00 39.78 36.88 3ixt n ASN 82 CO 0.00 0.00 0.00 -0.04 1.40 0.00 0.00 177.26 178.62 3ixt s MET 82 N -5.68 3.72 0.10 1.20 -1.94 -0.55 -4.59 119.30 111.56 3ixt s MET 82 Ca 0.33 1.83 0.06 0.00 -1.71 0.00 0.00 55.69 56.20 3ixt s MET 82 Cb -0.13 -2.42 -0.03 0.00 2.01 0.00 0.00 34.83 34.26 3ixt s MET 82 CO 0.88 -0.60 -0.17 0.34 -0.01 0.00 0.00 175.02 175.46 3ixt s ASP 83 N -1.29 2.08 0.52 3.03 2.15 -1.26 -0.27 116.67 121.62 3ixt s ASP 83 Ca 0.64 -0.69 0.34 0.00 0.43 0.00 0.00 52.55 53.27 3ixt s ASP 83 Cb -0.30 -0.09 1.48 0.00 -0.30 0.00 0.00 42.92 43.71 3ixt s ASP 83 CO 0.36 -0.04 1.79 -0.65 -0.17 0.00 0.00 175.17 176.47 3ixt h PRO 84 N 4.04 0.06 0.00 4.34 0.11 -1.97 1.13 132.00 139.70 3ixt h PRO 84 Ca -0.43 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.68 3ixt h PRO 84 Cb 1.19 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.28 3ixt h PRO 84 CO 0.42 0.04 0.00 0.00 -0.21 0.00 0.00 178.00 178.25 3ixt n ALA 85 N -2.72 1.80 1.13 -0.75 0.00 -1.26 -1.78 120.51 116.93 3ixt n ALA 85 Ca 0.26 0.04 0.14 0.00 0.00 0.00 0.00 53.44 53.88 3ixt n ALA 85 Cb 1.21 -1.38 0.58 0.00 0.00 0.00 0.00 19.45 19.86 3ixt n ALA 85 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3ixt n ASP 86 N -2.09 0.15 -4.68 0.00 8.00 0.39 -4.84 116.55 113.48 3ixt n ASP 86 Ca 0.03 0.11 -0.46 0.00 0.71 0.00 0.00 54.79 55.18 3ixt n ASP 86 Cb 0.26 -0.28 -0.04 0.00 -0.02 0.00 0.00 41.12 41.04 3ixt n ASP 86 CO 0.00 0.00 0.00 0.41 -0.39 0.00 0.00 177.20 177.22 3ixt n THR 87 N -1.39 0.39 -3.86 -3.53 -1.04 -0.73 -4.90 114.28 99.21 3ixt n THR 87 Ca 0.09 -0.07 0.03 0.00 -2.04 0.00 0.00 64.05 62.06 3ixt n THR 87 Cb 0.31 -1.83 0.01 0.00 -1.82 0.00 0.00 70.33 67.00 3ixt n THR 87 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3ixt s ALA 88 N 2.95 -2.42 -0.22 2.41 0.00 -0.14 -4.19 121.76 120.15 3ixt s ALA 88 Ca 0.87 0.28 -0.11 0.00 0.00 0.00 0.00 51.96 53.00 3ixt s ALA 88 Cb -0.65 0.71 -0.05 0.00 0.00 0.00 0.00 23.12 23.13 3ixt s ALA 88 CO 0.45 -1.12 0.16 0.99 0.00 0.00 0.00 175.76 176.24 3ixt s THR 89 N -2.12 5.37 -0.14 0.00 2.01 -0.72 -0.44 115.64 119.60 3ixt s THR 89 Ca 0.24 0.20 -0.04 0.00 0.31 0.00 0.00 61.69 62.40 3ixt s THR 89 Cb 0.02 -3.50 -0.03 0.00 0.01 0.00 0.00 72.50 69.00 3ixt s THR 89 CO -0.02 0.38 0.00 -0.31 -0.69 0.00 0.00 174.62 173.98 3ixt s TYR 90 N 0.81 3.13 0.10 4.92 1.51 0.66 -0.52 117.35 127.95 3ixt s TYR 90 Ca 0.08 -0.06 0.10 0.00 -1.01 0.00 0.00 57.07 56.18 3ixt s TYR 90 Cb -0.13 -1.95 -0.04 0.00 -0.11 0.00 0.00 41.96 39.74 3ixt s TYR 90 CO 0.02 0.15 -0.25 0.71 -1.11 0.00 0.00 175.55 175.08 3ixt s TYR 91 N 0.03 2.37 0.25 2.71 1.51 0.41 -1.47 117.35 123.15 3ixt s TYR 91 Ca 0.02 -0.36 0.09 0.00 -1.01 0.00 0.00 57.07 55.82 3ixt s TYR 91 Cb -0.13 -1.32 -0.04 0.00 -0.11 0.00 0.00 41.96 40.36 3ixt s TYR 91 CO 0.02 0.29 -0.01 0.00 -1.11 0.00 0.00 175.55 174.74 3ixt s ALA 93 N -2.19 -1.78 0.56 0.00 0.00 -0.43 -0.91 121.76 117.01 3ixt s ALA 93 Ca 0.30 1.67 -0.15 0.00 0.00 0.00 0.00 51.96 53.78 3ixt s ALA 93 Cb -0.07 -0.60 -0.06 0.00 0.00 0.00 0.00 23.12 22.39 3ixt s ALA 93 CO 0.19 -0.35 1.01 0.50 0.00 0.00 0.00 175.76 177.11 3ixt s ARG 94 N -0.41 3.69 0.03 0.00 3.00 -0.17 -0.92 118.95 124.17 3ixt s ARG 94 Ca -0.05 0.99 -0.14 0.00 -1.00 0.00 0.00 55.73 55.52 3ixt s ARG 94 Cb -0.02 -2.09 0.02 0.00 0.00 0.00 0.00 34.95 32.85 3ixt s ARG 94 CO 0.05 -0.49 0.32 0.34 0.00 0.00 0.00 175.30 175.52 3ixt s ASP 95 N -3.19 -0.15 0.07 -2.12 2.15 0.21 -3.23 116.67 110.41 3ixt s ASP 95 Ca 0.59 -0.12 0.03 0.00 0.43 0.00 0.00 52.55 53.48 3ixt s ASP 95 Cb -0.12 0.36 -0.03 0.00 -0.30 0.00 0.00 42.92 42.83 3ixt s ASP 95 CO 0.37 -0.59 -0.08 -0.04 -0.17 0.00 0.00 175.17 174.66 3ixt s MET 96 N -2.32 0.71 0.26 4.34 -1.94 -1.22 -0.49 119.30 118.63 3ixt s MET 96 Ca -0.07 -1.03 0.26 0.00 -1.71 0.00 0.00 55.69 53.14 3ixt s MET 96 Cb -0.02 -0.35 0.84 0.00 2.01 0.00 0.00 34.83 37.32 3ixt s MET 96 CO -0.02 0.04 1.76 0.97 -0.01 0.00 0.00 175.02 177.76 3ixt h ILE 97 N 3.82 0.00 0.00 2.53 2.10 -1.75 -2.02 117.51 122.19 3ixt h ILE 97 Ca -0.36 -0.45 -0.04 0.00 1.08 0.00 0.00 64.86 65.09 3ixt h ILE 97 Cb 1.19 1.38 -0.01 0.00 -1.09 0.00 0.00 36.82 38.29 3ixt h ILE 97 CO 0.51 0.00 -0.18 -0.26 -1.08 0.00 0.00 178.15 177.14 3ixt h PHE 98 N 0.00 0.00 -1.24 2.19 0.04 -1.96 -3.41 116.94 112.56 3ixt h PHE 98 Ca 0.00 0.00 -0.03 0.00 2.80 0.00 0.00 57.97 60.74 3ixt h PHE 98 Cb 0.65 0.00 -0.23 0.00 2.20 0.00 0.00 35.95 38.56 3ixt h PHE 98 CO 0.00 0.18 -0.41 0.54 -0.60 0.00 0.00 178.31 178.01 3ixt s ASN 99 N -6.12 -0.96 -1.33 2.17 4.22 -0.77 -5.06 114.94 107.09 3ixt s ASN 99 Ca -0.00 0.13 -0.11 0.00 -2.14 0.00 0.00 52.86 50.73 3ixt s ASN 99 Cb 0.11 1.75 -0.06 0.00 1.28 0.00 0.00 41.25 44.33 3ixt s ASN 99 CO 0.61 -0.31 2.50 0.49 -2.04 0.00 0.00 177.10 178.35 3ixt n PHE 100 N 5.40 2.33 -3.97 1.54 3.01 -1.17 -3.43 117.46 121.18 3ixt n PHE 100 Ca 0.03 -2.66 -0.10 0.00 1.01 0.00 0.00 57.45 55.73 3ixt n PHE 100 Cb 0.52 -2.23 -0.07 0.00 -0.01 0.00 0.00 39.48 37.69 3ixt n PHE 100 CO 0.00 0.00 0.00 1.52 1.01 0.00 0.00 176.76 179.29 3ixt s TYR 100 N 2.97 0.41 -0.60 1.38 1.13 -1.26 -5.05 117.35 116.32 3ixt s TYR 100 Ca 0.56 -0.77 -0.19 0.00 -1.41 0.00 0.00 57.07 55.26 3ixt s TYR 100 Cb 0.15 -0.07 0.11 0.00 -1.10 0.00 0.00 41.96 41.05 3ixt s TYR 100 CO -0.04 -0.71 0.72 -0.06 -2.51 0.00 0.00 175.55 172.94 3ixt s PHE 100 N -3.97 3.00 0.10 -3.49 0.40 -1.26 -4.33 117.98 108.43 3ixt s PHE 100 Ca 0.17 -0.98 0.02 0.00 -0.60 0.00 0.00 56.93 55.55 3ixt s PHE 100 Cb 0.03 -4.02 -0.24 0.00 0.51 0.00 0.00 43.02 39.30 3ixt s PHE 100 CO 0.00 -1.30 1.22 0.38 0.70 0.00 0.00 175.22 176.22 3ixt h ASP 101 N 9.17 0.18 -3.63 1.36 2.03 -1.92 -3.45 116.42 120.16 3ixt h ASP 101 Ca -0.28 -0.19 -0.50 0.00 -0.73 0.00 0.00 57.03 55.32 3ixt h ASP 101 Cb 1.08 -0.06 -0.32 0.00 -0.83 0.00 0.00 39.33 39.20 3ixt h ASP 101 CO 1.10 1.15 -0.81 -0.69 -1.03 0.00 0.00 179.24 178.96 3ixt s VAL 102 N -2.69 1.11 0.18 4.15 1.01 -1.26 -5.03 120.40 117.88 3ixt s VAL 102 Ca -0.01 -0.50 0.11 0.00 0.00 0.00 0.00 61.98 61.58 3ixt s VAL 102 Cb 0.09 -1.00 -0.04 0.00 0.00 0.00 0.00 36.38 35.43 3ixt s VAL 102 CO 0.85 0.34 -0.24 0.26 0.00 0.00 0.00 175.10 176.31 3ixt s TRP 103 N 0.40 2.32 0.94 5.22 0.52 -1.26 -1.00 118.94 126.09 3ixt s TRP 103 Ca -0.09 -0.35 -0.15 0.00 0.02 0.00 0.00 56.10 55.53 3ixt s TRP 103 Cb -0.13 -1.16 0.17 0.00 -1.15 0.00 0.00 33.47 31.20 3ixt s TRP 103 CO 0.02 0.48 1.25 0.20 0.02 0.00 0.00 176.95 178.92 3ixt s GLY 104 N -2.59 1.70 0.16 0.98 0.00 -0.09 -4.55 107.32 102.93 3ixt s GLY 104 Ca 0.20 -0.97 0.26 0.00 0.00 0.00 0.00 44.72 44.21 3ixt s GLY 104 CO 0.10 -0.29 1.72 -1.06 0.00 0.00 0.00 173.10 173.57 3ixt n GLN 105 N -3.74 0.22 0.00 2.90 6.02 -1.25 -4.81 117.38 116.73 3ixt n GLN 105 Ca 0.12 0.16 0.00 0.00 -0.01 0.00 0.00 57.00 57.27 3ixt n GLN 105 Cb 0.60 -1.74 0.00 0.00 1.02 0.00 0.00 30.24 30.12 3ixt n GLN 105 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3ixt n GLY 106 N 1.34 -0.60 3.06 1.08 0.00 -1.26 -5.03 105.19 103.78 3ixt n GLY 106 Ca 0.05 -1.55 -0.17 0.00 0.00 0.00 0.00 46.02 44.35 3ixt n GLY 106 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 3ixt s THR 107 N -3.08 0.74 -0.16 2.61 -1.32 -0.54 -4.84 115.64 109.04 3ixt s THR 107 Ca 0.00 -0.71 -0.10 0.00 -1.21 0.00 0.00 61.69 59.67 3ixt s THR 107 Cb 0.00 -0.68 -0.05 0.00 -1.51 0.00 0.00 72.50 70.26 3ixt s THR 107 CO 0.00 -0.01 0.16 -0.89 -2.21 0.00 0.00 174.62 171.67 3ixt s THR 108 N -0.67 5.41 -0.11 5.08 2.01 -1.26 -0.25 115.64 125.86 3ixt s THR 108 Ca -0.00 0.26 0.01 0.00 0.31 0.00 0.00 61.69 62.27 3ixt s THR 108 Cb -0.06 -3.48 0.02 0.00 0.01 0.00 0.00 72.50 68.99 3ixt s THR 108 CO 0.00 0.50 -0.14 -0.69 -0.69 0.00 0.00 174.62 173.60 3ixt s VAL 109 N -0.11 1.46 -0.12 3.82 1.01 0.42 -4.33 120.40 122.54 3ixt s VAL 109 Ca 0.12 -0.60 0.00 0.00 0.00 0.00 0.00 61.98 61.49 3ixt s VAL 109 Cb -0.12 -1.35 -0.02 0.00 0.00 0.00 0.00 36.38 34.90 3ixt s VAL 109 CO 0.01 0.43 -0.13 -0.89 0.00 0.00 0.00 175.10 174.53 3ixt s THR 110 N 1.12 3.10 -0.38 3.92 2.01 0.27 -0.96 115.64 124.72 3ixt s THR 110 Ca -0.04 -0.65 -0.12 0.00 0.31 0.00 0.00 61.69 61.19 3ixt s THR 110 Cb -0.14 -2.29 0.02 0.00 0.01 0.00 0.00 72.50 70.10 3ixt s THR 110 CO -0.04 0.53 0.22 -0.69 -0.69 0.00 0.00 174.62 173.96 3ixt s VAL 111 N 0.24 4.71 -0.00 3.82 1.01 -1.26 -1.79 120.40 127.13 3ixt s VAL 111 Ca -0.09 -0.79 -0.26 0.00 0.00 0.00 0.00 61.98 60.84 3ixt s VAL 111 Cb -0.15 -3.62 0.06 0.00 0.00 0.00 0.00 36.38 32.67 3ixt s VAL 111 CO 0.05 -0.23 0.57 -0.55 0.00 0.00 0.00 175.10 174.94 3ixt s SER 112 N 1.58 -0.52 0.18 3.32 0.15 -1.02 -4.29 113.70 113.09 3ixt s SER 112 Ca 0.03 0.42 0.25 0.00 0.70 0.00 0.00 55.95 57.35 3ixt s SER 112 Cb -0.19 0.50 0.50 0.00 -1.71 0.00 0.00 66.02 65.11 3ixt s SER 112 CO 0.07 -0.64 1.49 0.77 1.20 0.00 0.00 173.24 176.13 3ixt h SER 113 N 3.00 0.00 -4.19 5.45 4.64 -1.96 -3.35 113.55 117.13 3ixt h SER 113 Ca -0.29 -0.11 -0.53 0.00 -0.47 0.00 0.00 61.79 60.39 3ixt h SER 113 Cb 1.18 0.00 0.16 0.00 -0.31 0.00 0.00 62.40 63.43 3ixt h SER 113 CO 0.40 0.06 0.37 0.00 -0.87 0.00 0.00 176.83 176.78 3ixt s ALA 114 N -3.15 2.05 0.28 5.18 0.00 -1.26 -5.03 121.76 119.83 3ixt s ALA 114 Ca 0.08 0.81 0.05 0.00 0.00 0.00 0.00 51.96 52.90 3ixt s ALA 114 Cb 0.12 -3.46 -0.02 0.00 0.00 0.00 0.00 23.12 19.76 3ixt s ALA 114 CO 0.68 -1.97 0.42 -1.54 0.00 0.00 0.00 175.76 173.34 3ixt s SER 115 N -2.18 6.19 0.44 0.00 1.04 -1.26 -5.01 113.70 112.92 3ixt s SER 115 Ca 0.73 0.00 -0.24 0.00 0.48 0.00 0.00 55.95 56.92 3ixt s SER 115 Cb -0.28 -1.64 -0.08 0.00 0.10 0.00 0.00 66.02 64.13 3ixt s SER 115 CO 0.47 -0.22 1.20 -0.89 0.98 0.00 0.00 173.24 174.77 3ixt s THR 116 N -2.08 2.99 -0.06 2.02 2.01 -1.26 -4.81 115.64 114.44 3ixt s THR 116 Ca 0.38 0.78 -0.04 0.00 0.31 0.00 0.00 61.69 63.13 3ixt s THR 116 Cb -0.09 -3.42 0.03 0.00 0.01 0.00 0.00 72.50 69.03 3ixt s THR 116 CO 0.30 0.03 0.15 -0.75 -0.69 0.00 0.00 174.62 173.66 3ixt s LYS 117 N -2.54 0.13 0.55 4.92 2.20 -0.31 -4.95 119.74 119.73 3ixt s LYS 117 Ca 0.61 0.31 -0.18 0.00 -0.36 0.00 0.00 55.97 56.35 3ixt s LYS 117 Cb -0.31 -0.07 -0.06 0.00 -1.51 0.00 0.00 37.83 35.88 3ixt s LYS 117 CO 0.38 -0.11 1.07 0.20 -0.36 0.00 0.00 175.35 176.54 3ixt s GLY 118 N 0.73 2.37 0.65 5.54 0.00 -1.26 -1.91 107.32 113.43 3ixt s GLY 118 Ca -0.05 0.57 -0.11 0.00 0.00 0.00 0.00 44.72 45.12 3ixt s GLY 118 CO -0.04 0.90 1.04 -4.14 0.00 0.00 0.00 173.10 170.86 3ixt s PRO 119 N -3.60 3.37 -0.13 2.90 0.02 -1.26 -4.51 135.00 131.78 3ixt s PRO 119 Ca 0.67 0.79 -0.04 0.00 0.02 0.00 0.00 61.00 62.44 3ixt s PRO 119 Cb -0.18 -2.05 -0.03 0.00 0.02 0.00 0.00 34.50 32.26 3ixt s PRO 119 CO 0.29 -0.75 0.01 -1.12 -0.33 0.00 0.00 177.00 175.10 3ixt s SER 120 N -4.08 5.22 -0.32 2.53 0.01 0.34 -4.92 113.70 112.48 3ixt s SER 120 Ca 0.56 0.05 -0.05 0.00 1.31 0.00 0.00 55.95 57.82 3ixt s SER 120 Cb -0.12 -1.71 0.04 0.00 0.21 0.00 0.00 66.02 64.44 3ixt s SER 120 CO 0.54 0.26 0.06 -0.69 0.41 0.00 0.00 173.24 173.82 3ixt s VAL 121 N -0.16 3.47 0.10 3.43 1.01 -1.26 -0.27 120.40 126.72 3ixt s VAL 121 Ca 0.05 -1.23 0.05 0.00 0.00 0.00 0.00 61.98 60.84 3ixt s VAL 121 Cb -0.13 -2.97 -0.04 0.00 0.00 0.00 0.00 36.38 33.24 3ixt s VAL 121 CO 0.02 -0.15 0.03 -0.36 0.00 0.00 0.00 175.10 174.64 3ixt s PHE 122 N 1.34 3.05 0.14 5.22 0.08 -0.01 -4.92 117.98 122.87 3ixt s PHE 122 Ca -0.03 -0.01 -0.27 0.00 0.12 0.00 0.00 56.93 56.75 3ixt s PHE 122 Cb -0.20 -1.55 -0.07 0.00 -0.57 0.00 0.00 43.02 40.64 3ixt s PHE 122 CO 0.01 0.50 0.83 -2.14 -0.10 0.00 0.00 175.22 174.32 3ixt s PRO 123 N -2.45 4.62 -0.55 0.24 0.02 -1.26 0.46 135.00 136.08 3ixt s PRO 123 Ca 0.27 1.23 -0.12 0.00 0.02 0.00 0.00 61.00 62.40 3ixt s PRO 123 Cb -0.11 -3.31 0.14 0.00 0.02 0.00 0.00 34.50 31.24 3ixt s PRO 123 CO 0.20 0.44 0.47 -0.51 -0.33 0.00 0.00 177.00 177.27 3ixt s LEU 124 N -0.73 6.03 0.26 -5.54 1.43 0.31 -4.81 118.68 115.63 3ixt s LEU 124 Ca 0.39 -2.00 -0.28 0.00 -1.03 0.00 0.00 54.13 51.21 3ixt s LEU 124 Cb -0.23 -2.12 -0.09 0.00 0.03 0.00 0.00 46.19 43.78 3ixt s LEU 124 CO 0.27 -0.74 0.92 0.00 0.23 0.00 0.00 176.35 177.03 3ixt s ALA 125 N 1.25 3.31 0.57 4.21 0.00 -1.26 -1.73 121.76 128.11 3ixt s ALA 125 Ca 0.07 0.55 -0.17 0.00 0.00 0.00 0.00 51.96 52.41 3ixt s ALA 125 Cb -0.26 -3.16 -0.05 0.00 0.00 0.00 0.00 23.12 19.65 3ixt s ALA 125 CO -0.00 0.21 1.06 -2.14 0.00 0.00 0.00 175.76 174.89 3ixt s PRO 126 N -1.49 3.42 -0.23 0.00 0.02 -1.26 -4.93 135.00 130.54 3ixt s PRO 126 Ca 0.44 1.27 0.07 0.00 0.02 0.00 0.00 61.00 62.79 3ixt s PRO 126 Cb -0.23 -2.04 0.22 0.00 0.02 0.00 0.00 34.50 32.47 3ixt s PRO 126 CO 0.28 -0.74 1.10 -1.13 -0.33 0.00 0.00 177.00 176.19 3ixt n SER 127 N -1.76 -0.97 0.00 2.53 3.41 -1.26 -4.57 113.62 111.00 3ixt n SER 127 Ca 0.09 -1.75 0.00 0.00 -0.26 0.00 0.00 58.87 56.95 3ixt n SER 127 Cb 0.53 0.53 0.00 0.00 -0.26 0.00 0.00 64.21 65.01 3ixt n SER 127 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29 3ixt n THR 135 N -0.78 0.00 -5.02 6.66 -1.04 -1.26 -4.93 114.28 107.91 3ixt n THR 135 Ca -0.11 0.00 -0.29 0.00 -2.04 0.00 0.00 64.05 61.61 3ixt n THR 135 Cb 0.72 0.00 -0.15 0.00 -1.82 0.00 0.00 70.33 69.07 3ixt n THR 135 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3ixt s ALA 136 N 0.00 1.97 0.08 2.41 0.00 -0.48 -4.83 121.76 120.90 3ixt s ALA 136 Ca 0.00 -1.06 0.04 0.00 0.00 0.00 0.00 51.96 50.93 3ixt s ALA 136 Cb 0.00 -0.46 -0.04 0.00 0.00 0.00 0.00 23.12 22.62 3ixt s ALA 136 CO 0.00 0.47 0.03 0.00 0.00 0.00 0.00 175.76 176.26 3ixt s ALA 137 N -0.64 3.40 0.22 0.00 0.00 -1.26 -1.05 121.76 122.43 3ixt s ALA 137 Ca 0.09 -1.06 -0.21 0.00 0.00 0.00 0.00 51.96 50.79 3ixt s ALA 137 Cb -0.09 -1.30 0.04 0.00 0.00 0.00 0.00 23.12 21.76 3ixt s ALA 137 CO 0.00 0.72 0.63 -0.48 0.00 0.00 0.00 175.76 176.63 3ixt s LEU 138 N -2.26 -0.28 0.00 0.00 0.05 -0.89 -4.15 118.68 111.14 3ixt s LEU 138 Ca 0.26 -0.38 0.00 0.00 0.05 0.00 0.00 54.13 54.06 3ixt s LEU 138 Cb -0.12 2.54 0.00 0.00 -2.05 0.00 0.00 46.19 46.56 3ixt s LEU 138 CO 0.19 -1.15 0.00 0.61 -0.55 0.00 0.00 176.35 175.45 3ixt n GLY 139 N -0.41 -1.11 3.16 -3.48 0.00 -0.70 -0.29 105.19 102.36 3ixt n GLY 139 Ca -0.10 -0.77 -0.25 0.00 0.00 0.00 0.00 46.02 44.91 3ixt n GLY 139 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ixt s LEU 141 N -0.36 5.09 -0.58 0.00 2.96 0.17 -1.99 118.68 123.97 3ixt s LEU 141 Ca 0.06 -0.88 -0.18 0.00 -0.22 0.00 0.00 54.13 52.91 3ixt s LEU 141 Cb -0.07 -2.20 0.11 0.00 0.50 0.00 0.00 46.19 44.53 3ixt s LEU 141 CO -0.00 -0.48 0.65 -0.69 -1.32 0.00 0.00 176.35 174.51 3ixt s VAL 142 N 1.76 4.93 0.04 1.68 1.01 0.36 -0.83 120.40 129.36 3ixt s VAL 142 Ca 0.06 -1.15 0.06 0.00 0.00 0.00 0.00 61.98 60.95 3ixt s VAL 142 Cb -0.19 -4.45 -0.03 0.00 0.00 0.00 0.00 36.38 31.70 3ixt s VAL 142 CO 0.11 -1.06 -0.14 -0.75 0.00 0.00 0.00 175.10 173.25 3ixt s LYS 143 N 2.37 2.19 -0.67 2.72 2.20 0.63 -0.80 119.74 128.38 3ixt s LYS 143 Ca 0.09 -0.93 -0.00 0.00 -0.36 0.00 0.00 55.97 54.78 3ixt s LYS 143 Cb -0.25 -2.28 -0.00 0.00 -1.51 0.00 0.00 37.83 33.78 3ixt s LYS 143 CO 0.05 0.55 0.63 -0.25 -0.36 0.00 0.00 175.35 175.97 3ixt n ASP 144 N 1.42 -7.23 -4.17 1.43 8.00 -0.73 -0.50 116.55 114.76 3ixt n ASP 144 Ca -0.16 -0.06 -0.11 0.00 0.71 0.00 0.00 54.79 55.17 3ixt n ASP 144 Cb 0.52 -4.89 -0.10 0.00 -0.02 0.00 0.00 41.12 36.63 3ixt n ASP 144 CO 0.00 0.00 0.00 -0.72 -0.39 0.00 0.00 177.20 176.09 3ixt s TYR 145 N -3.00 0.89 -0.24 1.24 1.13 -0.55 -4.05 117.35 112.77 3ixt s TYR 145 Ca 0.00 -0.91 -0.19 0.00 -1.41 0.00 0.00 57.07 54.56 3ixt s TYR 145 Cb -0.00 -0.52 0.07 0.00 -1.10 0.00 0.00 41.96 40.41 3ixt s TYR 145 CO 0.68 -0.15 0.63 0.12 -2.51 0.00 0.00 175.55 174.31 3ixt s PHE 146 N -3.62 -0.80 0.00 -3.49 2.19 -0.80 -0.82 117.98 110.63 3ixt s PHE 146 Ca 0.12 1.79 0.00 0.00 0.33 0.00 0.00 56.93 59.17 3ixt s PHE 146 Cb 0.05 0.37 0.00 0.00 -1.31 0.00 0.00 43.02 42.13 3ixt s PHE 146 CO -0.05 -0.40 0.00 -0.35 1.83 0.00 0.00 175.22 176.26 3ixt n PRO 147 N 3.41 3.26 -1.59 10.12 -0.05 -1.26 -1.16 135.00 147.72 3ixt n PRO 147 Ca -0.17 0.00 -0.32 0.00 -0.05 0.00 0.00 63.50 62.97 3ixt n PRO 147 Cb 0.57 0.00 0.05 0.00 -0.05 0.00 0.00 33.50 34.07 3ixt n PRO 147 CO 0.00 0.00 0.00 -1.21 -0.05 0.00 0.00 175.50 174.24 3ixt s GLU 148 N 3.20 2.81 0.53 0.54 0.41 -1.26 -4.75 118.70 120.18 3ixt s GLU 148 Ca 0.00 1.10 0.04 0.00 -0.41 0.00 0.00 54.97 55.70 3ixt s GLU 148 Cb 0.00 -1.97 0.01 0.00 -1.78 0.00 0.00 34.13 30.40 3ixt s GLU 148 CO 0.00 -1.21 0.22 -1.25 -0.49 0.00 0.00 175.26 172.54 3ixt s PRO 149 N -4.73 2.23 -0.02 0.39 0.04 -1.26 -4.86 135.00 126.80 3ixt s PRO 149 Ca 0.61 -2.19 0.02 0.00 0.04 0.00 0.00 61.00 59.48 3ixt s PRO 149 Cb -0.16 -1.85 0.00 0.00 0.04 0.00 0.00 34.50 32.54 3ixt s PRO 149 CO 0.50 -0.50 -0.06 0.54 0.04 0.00 0.00 177.00 177.52 3ixt s VAL 150 N -2.82 0.57 -0.07 -0.36 0.11 -1.26 -4.56 120.40 112.01 3ixt s VAL 150 Ca 0.22 -0.26 -0.04 0.00 -2.93 0.00 0.00 61.98 58.97 3ixt s VAL 150 Cb -0.00 -0.51 -0.04 0.00 -1.53 0.00 0.00 36.38 34.30 3ixt s VAL 150 CO 0.13 0.18 0.13 0.42 -3.33 0.00 0.00 175.10 172.63 3ixt s THR 151 N 0.16 5.27 0.00 5.04 -4.23 -0.70 -4.95 115.64 116.23 3ixt s THR 151 Ca -0.02 -0.02 0.08 0.00 -1.18 0.00 0.00 61.69 60.55 3ixt s THR 151 Cb -0.06 -3.35 -0.02 0.00 1.34 0.00 0.00 72.50 70.40 3ixt s THR 151 CO -0.00 0.50 -0.24 -0.69 -0.54 0.00 0.00 174.62 173.65 3ixt s VAL 152 N -1.12 1.88 0.21 2.29 1.01 -1.26 -1.28 120.40 122.12 3ixt s VAL 152 Ca 0.19 -1.10 -0.03 0.00 0.00 0.00 0.00 61.98 61.04 3ixt s VAL 152 Cb -0.12 -1.58 -0.03 0.00 0.00 0.00 0.00 36.38 34.65 3ixt s VAL 152 CO 0.09 0.45 0.19 -0.94 0.00 0.00 0.00 175.10 174.89 3ixt s SER 153 N -0.77 0.11 -0.03 3.32 1.04 -0.63 -4.96 113.70 111.78 3ixt s SER 153 Ca 0.09 -1.30 0.03 0.00 0.48 0.00 0.00 55.95 55.25 3ixt s SER 153 Cb -0.09 0.42 0.00 0.00 0.10 0.00 0.00 66.02 66.45 3ixt s SER 153 CO 0.00 -0.89 -0.11 0.26 0.98 0.00 0.00 173.24 173.48 3ixt s TRP 154 N -4.13 1.15 -1.37 5.02 0.52 -1.26 0.85 118.94 119.72 3ixt s TRP 154 Ca 0.36 -0.30 -0.13 0.00 0.02 0.00 0.00 56.10 56.05 3ixt s TRP 154 Cb 0.06 -0.80 0.12 0.00 -1.15 0.00 0.00 33.47 31.69 3ixt s TRP 154 CO 0.11 -0.11 0.54 0.09 0.02 0.00 0.00 176.95 177.60 3ixt n ASN 155 N 3.24 -3.07 -0.47 2.95 4.13 -0.31 0.16 115.26 121.90 3ixt n ASN 155 Ca -0.18 -0.60 -0.06 0.00 1.68 0.00 0.00 54.58 55.41 3ixt n ASN 155 Cb 0.54 -2.56 -0.03 0.00 -1.54 0.00 0.00 39.78 36.19 3ixt n ASN 155 CO 0.00 0.00 0.00 -1.20 0.28 0.00 0.00 177.26 176.34 3ixt n SER 156 N -2.34 -4.16 0.00 6.41 7.64 -1.26 -2.60 113.62 117.31 3ixt n SER 156 Ca 0.03 0.15 0.00 0.00 1.01 0.00 0.00 58.87 60.07 3ixt n SER 156 Cb 0.51 -2.19 0.00 0.00 -1.01 0.00 0.00 64.21 61.51 3ixt n SER 156 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3ixt n GLY 157 N -1.68 0.78 0.20 0.23 0.00 0.12 -4.97 105.19 99.88 3ixt n GLY 157 Ca -0.06 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.83 3ixt n GLY 157 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ixt h ALA 158 N 0.00 0.48 -2.42 4.61 0.00 -1.22 -3.41 119.26 117.30 3ixt h ALA 158 Ca 0.00 -0.60 -0.70 0.00 0.00 0.00 0.00 54.91 53.61 3ixt h ALA 158 Cb 0.00 -0.04 -0.20 0.00 0.00 0.00 0.00 17.79 17.55 3ixt h ALA 158 CO 0.00 0.72 -0.30 -1.17 0.00 0.00 0.00 179.25 178.50 3ixt s LEU 159 N -8.20 4.97 0.00 0.00 2.96 -1.09 -4.88 118.68 112.44 3ixt s LEU 159 Ca -0.08 -0.77 0.00 0.00 -0.22 0.00 0.00 54.13 53.06 3ixt s LEU 159 Cb 0.10 -2.29 0.00 0.00 0.50 0.00 0.00 46.19 44.49 3ixt s LEU 159 CO 0.87 -0.53 0.00 0.35 -1.32 0.00 0.00 176.35 175.72 3ixt n THR 160 N 5.32 0.00 -3.07 3.68 -2.24 -1.26 -4.25 114.28 112.47 3ixt n THR 160 Ca -0.09 0.00 -0.35 0.00 -2.27 0.00 0.00 64.05 61.34 3ixt n THR 160 Cb 0.47 -0.27 -0.06 0.00 -2.10 0.00 0.00 70.33 68.37 3ixt n THR 160 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 3ixt s SER 161 N -2.01 7.01 0.00 3.42 1.04 -1.26 -3.46 113.70 118.44 3ixt s SER 161 Ca 0.00 1.43 0.00 0.00 0.48 0.00 0.00 55.95 57.86 3ixt s SER 161 Cb 0.00 -2.43 0.00 0.00 0.10 0.00 0.00 66.02 63.69 3ixt s SER 161 CO 0.00 -0.05 0.00 0.61 0.98 0.00 0.00 173.24 174.78 3ixt n GLY 162 N 0.38 2.40 3.67 7.32 0.00 -1.26 -4.75 105.19 112.95 3ixt n GLY 162 Ca -0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 3ixt n GLY 162 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3ixt s VAL 163 N -3.01 4.77 -0.18 1.61 1.01 -1.22 -3.07 120.40 120.31 3ixt s VAL 163 Ca 0.00 1.91 0.00 0.00 0.00 0.00 0.00 61.98 63.90 3ixt s VAL 163 Cb 0.00 -4.26 0.01 0.00 0.00 0.00 0.00 36.38 32.14 3ixt s VAL 163 CO 0.00 -0.06 -0.18 -1.00 0.00 0.00 0.00 175.10 173.86 3ixt s HIS 164 N 2.50 2.79 -0.25 5.22 3.76 0.34 -5.00 115.29 124.65 3ixt s HIS 164 Ca 0.44 -1.50 -0.04 0.00 -0.15 0.00 0.00 55.06 53.80 3ixt s HIS 164 Cb -0.17 -1.94 0.01 0.00 1.11 0.00 0.00 32.58 31.60 3ixt s HIS 164 CO 0.12 -0.74 -0.01 0.99 -0.85 0.00 0.00 174.74 174.25 3ixt s THR 165 N 1.25 3.44 0.22 1.30 2.01 -1.26 -0.59 115.64 122.01 3ixt s THR 165 Ca 0.04 -0.70 -0.28 0.00 0.31 0.00 0.00 61.69 61.06 3ixt s THR 165 Cb -0.13 -2.68 -0.09 0.00 0.01 0.00 0.00 72.50 69.60 3ixt s THR 165 CO -0.10 0.25 0.89 -0.36 -0.69 0.00 0.00 174.62 174.61 3ixt s PHE 166 N 1.45 3.95 0.11 4.92 0.40 -0.22 -5.00 117.98 123.59 3ixt s PHE 166 Ca 0.03 1.82 -0.36 0.00 -0.60 0.00 0.00 56.93 57.83 3ixt s PHE 166 Cb -0.16 -2.91 -0.16 0.00 0.51 0.00 0.00 43.02 40.30 3ixt s PHE 166 CO -0.02 0.46 1.33 -2.30 0.70 0.00 0.00 175.22 175.40 3ixt n PRO 167 N 1.46 1.27 -1.82 0.24 -0.02 -1.26 -4.42 135.00 130.46 3ixt n PRO 167 Ca -0.03 0.46 -0.38 0.00 -2.02 0.00 0.00 63.50 61.53 3ixt n PRO 167 Cb 0.48 -2.09 0.03 0.00 -0.02 0.00 0.00 33.50 31.90 3ixt n PRO 167 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3ixt s ALA 168 N 0.38 2.88 0.06 3.55 0.00 -1.26 -4.86 121.76 122.51 3ixt s ALA 168 Ca 0.81 1.32 0.06 0.00 0.00 0.00 0.00 51.96 54.15 3ixt s ALA 168 Cb -0.90 -3.56 -0.04 0.00 0.00 0.00 0.00 23.12 18.63 3ixt s ALA 168 CO 0.47 -1.30 -0.09 0.54 0.00 0.00 0.00 175.76 175.38 3ixt s VAL 169 N -1.31 3.46 -0.42 0.00 0.11 0.73 -4.91 120.40 118.07 3ixt s VAL 169 Ca 0.70 -1.07 -0.20 0.00 -2.93 0.00 0.00 61.98 58.48 3ixt s VAL 169 Cb -0.40 -2.57 0.02 0.00 -1.53 0.00 0.00 36.38 31.90 3ixt s VAL 169 CO 0.48 0.23 0.59 -0.22 -3.33 0.00 0.00 175.10 172.85 3ixt s LEU 170 N -1.87 4.56 0.87 2.54 2.96 -1.26 -1.33 118.68 125.15 3ixt s LEU 170 Ca 0.20 -0.37 -0.12 0.00 -0.22 0.00 0.00 54.13 53.62 3ixt s LEU 170 Cb -0.11 -2.65 0.11 0.00 0.50 0.00 0.00 46.19 44.05 3ixt s LEU 170 CO 0.11 -0.70 1.11 -1.10 -1.32 0.00 0.00 176.35 174.45 3ixt s GLN 171 N 2.63 1.47 0.23 1.98 -0.21 -0.41 -4.92 119.66 120.43 3ixt s GLN 171 Ca 0.20 0.50 0.20 0.00 0.02 0.00 0.00 55.36 56.28 3ixt s GLN 171 Cb -0.15 -1.86 0.93 0.00 1.00 0.00 0.00 33.01 32.93 3ixt s GLN 171 CO 0.17 -2.02 1.62 -1.13 -2.12 0.00 0.00 175.29 171.82 3ixt n SER 172 N -3.68 0.52 0.21 5.90 3.41 -1.26 -1.58 113.62 117.15 3ixt n SER 172 Ca 0.07 0.66 0.14 0.00 -0.26 0.00 0.00 58.87 59.48 3ixt n SER 172 Cb 0.57 -0.76 0.43 0.00 -0.26 0.00 0.00 64.21 64.20 3ixt n SER 172 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 3ixt h SER 173 N 0.00 0.00 0.00 4.04 4.64 -2.03 -3.46 113.55 116.74 3ixt h SER 173 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3ixt h SER 173 Cb 0.23 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.32 3ixt h SER 173 CO 0.00 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.57 3ixt n GLY 174 N 0.60 0.49 3.91 -0.77 0.00 -0.61 -5.07 105.19 103.74 3ixt n GLY 174 Ca 0.03 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.73 3ixt n GLY 174 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3ixt s LEU 175 N 0.00 4.35 0.47 0.99 1.43 -1.26 -4.88 118.68 119.78 3ixt s LEU 175 Ca 0.00 0.35 -0.09 0.00 -1.03 0.00 0.00 54.13 53.37 3ixt s LEU 175 Cb 0.00 -2.90 -0.05 0.00 0.03 0.00 0.00 46.19 43.27 3ixt s LEU 175 CO 0.00 0.18 0.82 -0.31 0.23 0.00 0.00 176.35 177.28 3ixt s TYR 176 N -1.47 3.53 -0.08 0.29 2.02 -0.00 -1.28 117.35 120.36 3ixt s TYR 176 Ca 0.33 1.00 -0.17 0.00 -0.37 0.00 0.00 57.07 57.86 3ixt s TYR 176 Cb -0.13 -2.44 0.04 0.00 -0.40 0.00 0.00 41.96 39.03 3ixt s TYR 176 CO 0.24 -0.27 0.41 0.45 -1.57 0.00 0.00 175.55 174.81 3ixt s SER 177 N -3.70 -0.36 0.20 2.29 0.15 -0.44 -1.49 113.70 110.35 3ixt s SER 177 Ca 0.50 0.48 -0.19 0.00 0.70 0.00 0.00 55.95 57.45 3ixt s SER 177 Cb -0.10 0.57 0.03 0.00 -1.71 0.00 0.00 66.02 64.81 3ixt s SER 177 CO 0.40 -0.35 0.56 -1.48 1.20 0.00 0.00 173.24 173.57 3ixt s LEU 178 N -0.70 -0.07 0.07 3.45 0.05 0.02 -0.19 118.68 121.31 3ixt s LEU 178 Ca -0.08 -0.42 0.07 0.00 0.05 0.00 0.00 54.13 53.75 3ixt s LEU 178 Cb -0.04 2.29 -0.03 0.00 -2.05 0.00 0.00 46.19 46.37 3ixt s LEU 178 CO 0.04 -1.08 -0.18 -0.44 -0.55 0.00 0.00 176.35 174.14 3ixt s SER 179 N -2.86 2.19 -0.08 1.48 0.01 -1.26 -0.48 113.70 112.70 3ixt s SER 179 Ca 0.08 -0.61 0.02 0.00 1.31 0.00 0.00 55.95 56.75 3ixt s SER 179 Cb -0.02 -0.12 0.02 0.00 0.21 0.00 0.00 66.02 66.11 3ixt s SER 179 CO -0.03 0.04 -0.11 -0.55 0.41 0.00 0.00 173.24 173.00 3ixt s SER 180 N -1.62 1.83 0.27 2.44 0.15 -0.84 -1.06 113.70 114.87 3ixt s SER 180 Ca 0.04 -0.29 0.08 0.00 0.70 0.00 0.00 55.95 56.47 3ixt s SER 180 Cb -0.09 -0.81 -0.06 0.00 -1.71 0.00 0.00 66.02 63.35 3ixt s SER 180 CO 0.03 -0.01 -0.09 0.68 1.20 0.00 0.00 173.24 175.05 3ixt s VAL 181 N 0.94 1.80 -0.12 4.45 -7.23 0.24 -0.85 120.40 119.63 3ixt s VAL 181 Ca -0.09 -2.17 -0.09 0.00 -1.81 0.00 0.00 61.98 57.81 3ixt s VAL 181 Cb -0.15 -2.39 0.04 0.00 0.56 0.00 0.00 36.38 34.44 3ixt s VAL 181 CO 0.00 -0.35 0.31 0.54 -0.31 0.00 0.00 175.10 175.29 3ixt s VAL 182 N -2.92 -0.01 -0.15 1.32 0.11 0.60 -0.50 120.40 118.85 3ixt s VAL 182 Ca 0.29 0.04 -0.12 0.00 -2.93 0.00 0.00 61.98 59.25 3ixt s VAL 182 Cb 0.02 -0.45 -0.05 0.00 -1.53 0.00 0.00 36.38 34.38 3ixt s VAL 182 CO 0.12 0.02 0.25 0.42 -3.33 0.00 0.00 175.10 172.57 3ixt s THR 183 N 0.53 5.33 0.07 5.04 -4.23 -1.17 -2.10 115.64 119.11 3ixt s THR 183 Ca -0.03 0.46 0.00 0.00 -1.18 0.00 0.00 61.69 60.94 3ixt s THR 183 Cb -0.05 -3.58 -0.04 0.00 1.34 0.00 0.00 72.50 70.18 3ixt s THR 183 CO -0.03 0.44 -0.04 0.68 -0.54 0.00 0.00 174.62 175.13 3ixt s VAL 184 N 0.14 0.41 0.12 2.29 -7.23 -0.21 -4.76 120.40 111.15 3ixt s VAL 184 Ca 0.15 -1.85 -0.35 0.00 -1.81 0.00 0.00 61.98 58.13 3ixt s VAL 184 Cb -0.13 -1.57 -0.14 0.00 0.56 0.00 0.00 36.38 35.10 3ixt s VAL 184 CO 0.03 -0.94 1.54 -2.65 -0.31 0.00 0.00 175.10 172.77 3ixt n PRO 185 N 0.07 1.88 0.20 4.82 -0.02 -1.26 -1.38 135.00 139.31 3ixt n PRO 185 Ca -0.13 0.68 0.18 0.00 -2.02 0.00 0.00 63.50 62.21 3ixt n PRO 185 Cb 0.61 -2.42 0.83 0.00 -0.02 0.00 0.00 33.50 32.50 3ixt n PRO 185 CO 0.00 0.00 0.00 0.77 1.98 0.00 0.00 175.50 178.25 3ixt h SER 186 N 5.80 0.00 1.05 2.55 0.02 -1.89 -2.06 113.55 119.02 3ixt h SER 186 Ca -0.46 0.00 -0.17 0.00 -0.84 0.00 0.00 61.79 60.33 3ixt h SER 186 Cb 1.28 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 63.79 3ixt h SER 186 CO 0.86 0.00 -1.01 0.77 -1.14 0.00 0.00 176.83 176.32 3ixt h SER 187 N 0.00 0.00 0.08 3.07 4.64 -2.01 -3.27 113.55 116.06 3ixt h SER 187 Ca 0.10 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.42 3ixt h SER 187 Cb 0.67 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.76 3ixt h SER 187 CO -0.00 0.68 0.00 -1.54 -0.87 0.00 0.00 176.83 175.10 3ixt n SER 188 N -3.13 0.00 -4.76 4.97 3.41 -0.77 -4.74 113.62 108.60 3ixt n SER 188 Ca -0.04 -0.74 -0.35 0.00 -0.26 0.00 0.00 58.87 57.48 3ixt n SER 188 Cb 0.84 -0.05 0.04 0.00 -0.26 0.00 0.00 64.21 64.79 3ixt n SER 188 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 3ixt s LEU 189 N -2.09 3.57 0.00 1.04 1.02 -1.24 -0.23 118.68 120.75 3ixt s LEU 189 Ca 0.39 2.27 0.00 0.00 0.02 0.00 0.00 54.13 56.81 3ixt s LEU 189 Cb 0.19 -4.58 0.00 0.00 0.02 0.00 0.00 46.19 41.81 3ixt s LEU 189 CO 0.33 -1.64 0.00 0.61 0.02 0.00 0.00 176.35 175.67 3ixt n GLY 190 N 0.22 1.43 0.25 -3.19 0.00 -1.26 -4.40 105.19 98.24 3ixt n GLY 190 Ca 0.13 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.90 3ixt n GLY 190 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3ixt n THR 191 N -0.72 1.30 -2.92 2.61 -2.24 -1.21 -4.94 114.28 106.17 3ixt n THR 191 Ca 0.00 -0.35 -0.40 0.00 -2.27 0.00 0.00 64.05 61.03 3ixt n THR 191 Cb 0.00 -1.77 -0.05 0.00 -2.10 0.00 0.00 70.33 66.42 3ixt n THR 191 CO 0.00 0.00 0.00 -1.58 -0.57 0.00 0.00 175.07 172.92 3ixt s GLN 192 N -2.44 4.53 -0.08 -0.78 2.00 0.69 -5.05 119.66 118.53 3ixt s GLN 192 Ca -0.33 1.15 -0.14 0.00 -2.00 0.00 0.00 55.36 54.04 3ixt s GLN 192 Cb 0.12 -3.38 -0.05 0.00 0.80 0.00 0.00 33.01 30.50 3ixt s GLN 192 CO 0.43 0.21 0.35 0.99 -0.50 0.00 0.00 175.29 176.78 3ixt s THR 193 N 0.15 5.20 -0.16 -0.34 2.01 -1.26 -4.71 115.64 116.52 3ixt s THR 193 Ca 0.41 0.69 0.02 0.00 0.31 0.00 0.00 61.69 63.12 3ixt s THR 193 Cb -0.21 -3.67 0.02 0.00 0.01 0.00 0.00 72.50 68.65 3ixt s THR 193 CO 0.24 0.48 -0.20 -0.31 -0.69 0.00 0.00 174.62 174.14 3ixt s TYR 194 N -0.29 2.65 -0.14 4.92 2.02 -1.26 -4.97 117.35 120.28 3ixt s TYR 194 Ca 0.21 -1.47 0.00 0.00 -0.37 0.00 0.00 57.07 55.44 3ixt s TYR 194 Cb -0.15 -1.83 0.02 0.00 -0.40 0.00 0.00 41.96 39.60 3ixt s TYR 194 CO 0.09 -0.71 -0.13 0.42 -1.57 0.00 0.00 175.55 173.65 3ixt s ILE 195 N 1.11 1.44 -0.02 2.71 1.01 -1.26 -0.90 121.20 125.30 3ixt s ILE 195 Ca -0.00 -0.55 -0.24 0.00 0.00 0.00 0.00 60.65 59.86 3ixt s ILE 195 Cb -0.14 -1.37 -0.05 0.00 0.01 0.00 0.00 42.46 40.91 3ixt s ILE 195 CO -0.08 0.44 0.72 0.00 0.00 0.00 0.00 174.94 176.01 3ixt s ASN 197 N 0.36 5.63 0.01 0.00 -0.87 0.25 -1.55 114.94 118.75 3ixt s ASN 197 Ca 0.37 -2.20 -0.18 0.00 -1.57 0.00 0.00 52.86 49.28 3ixt s ASN 197 Cb -0.19 -1.96 -0.06 0.00 -0.02 0.00 0.00 41.25 39.02 3ixt s ASN 197 CO 0.20 -0.59 0.52 -0.69 -2.57 0.00 0.00 177.10 173.97 3ixt s VAL 198 N 0.92 4.93 -0.07 1.60 1.01 0.73 -1.61 120.40 127.91 3ixt s VAL 198 Ca 0.10 1.08 -0.01 0.00 0.00 0.00 0.00 61.98 63.15 3ixt s VAL 198 Cb -0.23 -3.84 0.03 0.00 0.00 0.00 0.00 36.38 32.33 3ixt s VAL 198 CO -0.03 0.49 -0.01 0.21 0.00 0.00 0.00 175.10 175.76 3ixt s ASN 199 N -0.60 1.50 -0.62 3.32 2.47 -0.40 -1.33 114.94 119.28 3ixt s ASN 199 Ca 0.28 -0.11 0.05 0.00 0.42 0.00 0.00 52.86 53.49 3ixt s ASN 199 Cb -0.18 -0.48 0.18 0.00 -1.45 0.00 0.00 41.25 39.32 3ixt s ASN 199 CO 0.16 -0.16 0.47 1.57 -3.72 0.00 0.00 177.10 175.41 3ixt n HIS 200 N 4.91 2.04 -0.27 0.43 -0.00 0.50 -1.72 115.22 121.10 3ixt n HIS 200 Ca -0.11 -4.01 0.06 0.00 -0.00 0.00 0.00 57.72 53.65 3ixt n HIS 200 Cb 0.50 -0.37 0.20 0.00 -0.00 0.00 0.00 29.99 30.32 3ixt n HIS 200 CO 0.00 0.00 0.00 0.87 -0.00 0.00 0.00 176.34 177.21 3ixt h LYS 201 N 5.36 0.48 -0.82 1.57 1.57 -1.80 -1.15 116.57 121.77 3ixt h LYS 201 Ca 0.18 -0.03 0.24 0.00 -1.87 0.00 0.00 60.65 59.17 3ixt h LYS 201 Cb 0.79 -0.11 -0.03 0.00 0.08 0.00 0.00 32.23 32.96 3ixt h LYS 201 CO 0.62 0.32 0.79 -1.35 -0.57 0.00 0.00 179.45 179.26 3ixt h PRO 202 N 0.50 0.00 -0.01 3.15 0.11 -1.92 0.66 132.00 134.48 3ixt h PRO 202 Ca 0.43 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.54 3ixt h PRO 202 Cb 0.63 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.74 3ixt h PRO 202 CO -0.39 0.00 0.00 -1.13 -0.21 0.00 0.00 178.00 176.27 3ixt n SER 203 N -3.70 2.17 -4.12 -2.05 3.41 -0.53 -4.96 113.62 103.84 3ixt n SER 203 Ca 0.17 -2.39 -0.32 0.00 -0.26 0.00 0.00 58.87 56.07 3ixt n SER 203 Cb 1.07 -0.16 -0.03 0.00 -0.26 0.00 0.00 64.21 64.83 3ixt n SER 203 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 3ixt n ASN 204 N -0.80 -1.94 -4.47 4.04 2.85 0.23 -4.94 115.26 110.22 3ixt n ASN 204 Ca 0.06 -1.02 -0.34 0.00 -0.11 0.00 0.00 54.58 53.17 3ixt n ASN 204 Cb 0.40 -2.84 -0.12 0.00 1.24 0.00 0.00 39.78 38.46 3ixt n ASN 204 CO 0.00 0.00 0.00 -0.89 -2.11 0.00 0.00 177.26 174.26 3ixt s THR 205 N -3.61 3.95 -0.10 -0.44 2.01 -0.63 -4.98 115.64 111.83 3ixt s THR 205 Ca 0.41 -0.33 0.00 0.00 0.31 0.00 0.00 61.69 62.09 3ixt s THR 205 Cb -0.22 -2.76 0.02 0.00 0.01 0.00 0.00 72.50 69.55 3ixt s THR 205 CO 0.91 0.46 -0.09 -0.54 -0.69 0.00 0.00 174.62 174.67 3ixt s LYS 206 N 0.71 1.63 -0.03 4.92 1.02 -1.26 -0.37 119.74 126.35 3ixt s LYS 206 Ca -0.01 -0.32 0.03 0.00 0.02 0.00 0.00 55.97 55.69 3ixt s LYS 206 Cb -0.14 -1.56 0.00 0.00 -0.52 0.00 0.00 37.83 35.61 3ixt s LYS 206 CO 0.02 -0.17 -0.12 0.08 -0.92 0.00 0.00 175.35 174.24 3ixt s VAL 207 N 1.36 1.04 -0.28 3.17 1.01 -0.44 -5.01 120.40 121.25 3ixt s VAL 207 Ca -0.01 -0.50 0.03 0.00 0.00 0.00 0.00 61.98 61.49 3ixt s VAL 207 Cb -0.14 -0.91 0.07 0.00 0.00 0.00 0.00 36.38 35.41 3ixt s VAL 207 CO -0.05 0.31 -0.05 -1.81 0.00 0.00 0.00 175.10 173.51 3ixt s ASP 208 N 0.14 4.38 -0.14 3.32 1.01 -1.26 -0.19 116.67 123.94 3ixt s ASP 208 Ca -0.04 -1.56 -0.04 0.00 0.71 0.00 0.00 52.55 51.62 3ixt s ASP 208 Cb -0.10 -1.46 -0.03 0.00 1.01 0.00 0.00 42.92 42.34 3ixt s ASP 208 CO 0.01 -0.26 0.01 -0.75 0.21 0.00 0.00 175.17 174.39 3ixt s LYS 209 N 1.14 3.53 -0.26 8.23 2.47 -0.60 -4.93 119.74 129.32 3ixt s LYS 209 Ca -0.02 -0.42 -0.23 0.00 -1.56 0.00 0.00 55.97 53.74 3ixt s LYS 209 Cb -0.19 -2.97 -0.01 0.00 -1.46 0.00 0.00 37.83 33.20 3ixt s LYS 209 CO -0.07 0.42 0.74 0.21 0.16 0.00 0.00 175.35 176.82 3ixt s LYS 210 N -0.10 4.11 -0.14 4.03 2.20 -1.26 -0.92 119.74 127.66 3ixt s LYS 210 Ca 0.04 0.71 -0.15 0.00 -0.36 0.00 0.00 55.97 56.22 3ixt s LYS 210 Cb -0.13 -3.66 -0.04 0.00 -1.51 0.00 0.00 37.83 32.49 3ixt s LYS 210 CO 0.02 -0.51 0.36 0.08 -0.36 0.00 0.00 175.35 174.94 3ixt s VAL 211 N 2.73 5.26 -0.04 4.02 1.01 -0.08 -4.99 120.40 128.32 3ixt s VAL 211 Ca 0.31 0.70 -0.17 0.00 0.00 0.00 0.00 61.98 62.81 3ixt s VAL 211 Cb -0.15 -3.70 0.03 0.00 0.00 0.00 0.00 36.38 32.56 3ixt s VAL 211 CO 0.09 0.37 0.38 -1.61 0.00 0.00 0.00 175.10 174.33 3ixt s GLU 212 N 0.46 0.71 0.00 2.72 2.02 -1.26 -4.27 118.70 119.08 3ixt s GLU 212 Ca 0.20 -0.03 0.00 0.00 0.02 0.00 0.00 54.97 55.16 3ixt s GLU 212 Cb -0.14 0.32 0.00 0.00 0.10 0.00 0.00 34.13 34.41 3ixt s GLU 212 CO 0.06 -0.19 0.23 -2.30 0.02 0.00 0.00 175.26 173.08