#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bth s VAL 17 N 0.00 5.08 -1.41 1.39 1.01 0.88 -4.06 120.40 123.29 1bth s VAL 17 Ca 0.00 0.96 0.00 0.00 0.00 0.00 0.00 61.98 62.94 1bth s VAL 17 Cb 0.00 -3.80 0.00 0.00 0.00 0.00 0.00 36.38 32.58 1bth s VAL 17 CO 0.00 0.42 0.00 -0.62 0.00 0.00 0.00 175.10 174.90 1bth n GLU 18 N 2.92 -1.09 -0.92 2.72 -0.58 -1.26 -0.84 120.64 121.59 1bth n GLU 18 Ca -0.09 0.87 0.00 0.00 -0.42 0.00 0.00 57.16 57.51 1bth n GLU 18 Cb 0.52 -5.08 0.00 0.00 -0.57 0.00 0.00 31.44 26.30 1bth n GLU 18 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1bth n GLY 19 N -1.10 1.71 3.19 0.62 0.00 -1.26 -4.64 105.19 103.71 1bth n GLY 19 Ca -0.16 -2.10 -0.11 0.00 0.00 0.00 0.00 46.02 43.65 1bth n GLY 19 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1bth s SER 20 N -1.00 0.80 0.11 1.61 1.04 -0.45 -4.89 113.70 110.92 1bth s SER 20 Ca 0.00 -1.17 -0.31 0.00 0.48 0.00 0.00 55.95 54.95 1bth s SER 20 Cb 0.00 0.19 -0.09 0.00 0.10 0.00 0.00 66.02 66.23 1bth s SER 20 CO 0.00 -0.63 1.57 -1.81 0.98 0.00 0.00 173.24 173.35 1bth s ASP 21 N -3.10 6.64 0.77 7.02 1.11 -1.26 -0.44 116.67 127.41 1bth s ASP 21 Ca 0.22 2.50 -0.11 0.00 0.18 0.00 0.00 52.55 55.34 1bth s ASP 21 Cb 0.07 -2.58 0.06 0.00 1.07 0.00 0.00 42.92 41.54 1bth s ASP 21 CO 0.02 -0.83 1.10 0.00 1.18 0.00 0.00 175.17 176.64 1bth s ALA 22 N 1.87 2.21 0.58 5.23 0.00 -0.15 -4.84 121.76 126.66 1bth s ALA 22 Ca 0.71 0.33 -0.03 0.00 0.00 0.00 0.00 51.96 52.97 1bth s ALA 22 Cb -0.40 -3.30 0.03 0.00 0.00 0.00 0.00 23.12 19.45 1bth s ALA 22 CO 0.31 -1.81 0.85 -1.21 0.00 0.00 0.00 175.76 173.91 1bth s GLU 23 N -4.79 2.67 0.06 0.00 2.02 -1.26 -4.93 118.70 112.47 1bth s GLU 23 Ca 0.62 -0.37 -0.31 0.00 0.02 0.00 0.00 54.97 54.94 1bth s GLU 23 Cb -0.18 -2.36 -0.06 0.00 0.10 0.00 0.00 34.13 31.63 1bth s GLU 23 CO 0.55 -0.75 1.32 0.42 0.02 0.00 0.00 175.26 176.82 1bth s ILE 24 N -2.91 3.69 -0.02 -1.63 -1.09 -1.26 -2.83 121.20 115.16 1bth s ILE 24 Ca 0.55 1.18 0.00 0.00 -2.23 0.00 0.00 60.65 60.15 1bth s ILE 24 Cb -0.10 -3.75 0.00 0.00 -1.58 0.00 0.00 42.46 37.02 1bth s ILE 24 CO 0.42 0.06 0.00 0.61 -1.23 0.00 0.00 174.94 174.80 1bth n GLY 25 N 3.44 0.40 0.28 6.18 0.00 -1.26 -4.93 105.19 109.31 1bth n GLY 25 Ca 0.11 -0.03 -0.08 0.00 0.00 0.00 0.00 46.02 46.02 1bth n GLY 25 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 173.32 175.30 1bth h MET 26 N 0.76 0.89 -2.28 1.61 -1.53 -1.88 -3.33 114.93 109.17 1bth h MET 26 Ca -0.00 -0.33 -0.59 0.00 -3.44 0.00 0.00 59.70 55.34 1bth h MET 26 Cb 0.21 -0.06 -0.41 0.00 -0.55 0.00 0.00 31.60 30.80 1bth h MET 26 CO 0.00 0.97 -0.80 0.43 0.14 0.00 0.00 176.91 177.66 1bth n SER 27 N -4.14 2.00 0.00 1.39 7.64 -1.26 -4.93 113.62 114.31 1bth n SER 27 Ca 0.01 -3.04 0.05 0.00 1.01 0.00 0.00 58.87 56.90 1bth n SER 27 Cb 0.40 -0.66 0.30 0.00 -1.01 0.00 0.00 64.21 63.24 1bth n SER 27 CO 0.00 0.00 0.00 -0.81 -3.01 0.00 0.00 175.04 171.22 1bth n PRO 28 N 1.43 0.27 -0.23 1.43 -0.04 -1.25 -0.91 135.00 135.69 1bth n PRO 28 Ca 0.26 0.08 0.11 0.00 -0.04 0.00 0.00 63.50 63.90 1bth n PRO 28 Cb 0.45 -1.50 0.23 0.00 -0.04 0.00 0.00 33.50 32.64 1bth n PRO 28 CO 0.00 0.00 0.00 -2.67 -0.04 0.00 0.00 175.50 172.79 1bth n TRP 29 N -1.12 0.60 -2.56 0.54 2.14 -1.08 -1.38 117.44 114.58 1bth n TRP 29 Ca 0.07 -0.33 -0.43 0.00 2.07 0.00 0.00 57.50 58.88 1bth n TRP 29 Cb 0.06 -0.00 -0.02 0.00 -0.81 0.00 0.00 31.31 30.53 1bth n TRP 29 CO 0.00 0.00 0.00 -1.14 2.07 0.00 0.00 177.69 178.62 1bth s GLN 30 N -1.29 4.25 0.16 -2.67 2.00 -0.09 -1.44 119.66 120.58 1bth s GLN 30 Ca 0.39 1.49 0.09 0.00 -2.00 0.00 0.00 55.36 55.32 1bth s GLN 30 Cb 0.22 -3.69 -0.04 0.00 0.80 0.00 0.00 33.01 30.29 1bth s GLN 30 CO 0.30 -0.66 -0.14 0.08 -0.50 0.00 0.00 175.29 174.36 1bth s VAL 31 N 3.33 3.00 -0.13 1.34 1.01 -0.76 -3.87 120.40 124.32 1bth s VAL 31 Ca 0.49 -1.62 0.03 0.00 0.00 0.00 0.00 61.98 60.87 1bth s VAL 31 Cb -0.18 -2.44 0.00 0.00 0.00 0.00 0.00 36.38 33.77 1bth s VAL 31 CO 0.10 -0.03 -0.21 -0.32 0.00 0.00 0.00 175.10 174.64 1bth s MET 32 N -2.55 3.07 -0.39 2.72 1.75 0.19 -1.99 119.30 122.11 1bth s MET 32 Ca 0.22 -0.84 -0.17 0.00 -1.25 0.00 0.00 55.69 53.65 1bth s MET 32 Cb -0.09 -2.43 0.01 0.00 2.84 0.00 0.00 34.83 35.15 1bth s MET 32 CO 0.13 0.06 0.42 -0.51 -0.65 0.00 0.00 175.02 174.47 1bth s LEU 33 N 0.65 4.67 0.15 4.11 1.43 -0.62 -0.73 118.68 128.34 1bth s LEU 33 Ca -0.11 -0.47 0.11 0.00 -1.03 0.00 0.00 54.13 52.63 1bth s LEU 33 Cb -0.16 -2.39 -0.04 0.00 0.03 0.00 0.00 46.19 43.63 1bth s LEU 33 CO 0.02 -0.49 -0.23 0.12 0.23 0.00 0.00 176.35 176.00 1bth s PHE 34 N 2.12 2.38 -0.18 0.29 5.36 0.99 -2.92 117.98 126.01 1bth s PHE 34 Ca 0.12 -0.34 -0.09 0.00 -0.96 0.00 0.00 56.93 55.66 1bth s PHE 34 Cb -0.17 -1.24 0.06 0.00 -0.34 0.00 0.00 43.02 41.33 1bth s PHE 34 CO 0.13 0.41 0.43 0.50 -1.46 0.00 0.00 175.22 175.22 1bth s ARG 35 N -2.30 0.41 -0.09 10.12 3.52 -1.17 -0.39 118.95 129.04 1bth s ARG 35 Ca 0.18 0.83 0.08 0.00 -0.13 0.00 0.00 55.73 56.69 1bth s ARG 35 Cb -0.09 0.01 -0.24 0.00 -1.56 0.00 0.00 34.95 33.07 1bth s ARG 35 CO 0.09 -0.16 0.46 0.36 -0.81 0.00 0.00 175.30 175.24 1bth n LYS 36 N 4.34 0.67 -3.51 5.12 2.85 -1.26 -4.00 118.16 122.37 1bth n LYS 36 Ca -0.22 0.24 -0.24 0.00 -1.05 0.00 0.00 58.31 57.04 1bth n LYS 36 Cb 0.55 -1.72 -0.14 0.00 -0.65 0.00 0.00 35.03 33.07 1bth n LYS 36 CO 0.00 0.00 0.00 -1.12 -0.05 0.00 0.00 177.40 176.23 1bth s SER 37 N -6.28 2.45 0.41 -5.58 0.01 -1.26 -2.00 113.70 101.45 1bth s SER 37 Ca -0.12 -0.82 -0.20 0.00 1.31 0.00 0.00 55.95 56.12 1bth s SER 37 Cb 0.07 0.01 -0.11 0.00 0.21 0.00 0.00 66.02 66.21 1bth s SER 37 CO 0.80 -0.39 0.92 -2.84 0.41 0.00 0.00 173.24 172.14 1bth s PRO 37 N 2.21 4.20 0.00 12.44 0.02 -1.26 -5.02 135.00 147.59 1bth s PRO 37 Ca 0.07 1.05 0.01 0.00 0.02 0.00 0.00 61.00 62.16 1bth s PRO 37 Cb -0.15 -2.22 0.08 0.00 0.02 0.00 0.00 34.50 32.22 1bth s PRO 37 CO -0.25 0.00 0.66 0.94 -0.33 0.00 0.00 177.00 178.02 1bth n GLN 38 N -0.59 0.03 -0.21 5.54 7.27 -0.84 -4.00 117.38 124.58 1bth n GLN 38 Ca 0.06 0.09 -0.02 0.00 0.07 0.00 0.00 57.00 57.20 1bth n GLN 38 Cb 0.54 -1.50 -0.03 0.00 2.41 0.00 0.00 30.24 31.65 1bth n GLN 38 CO 0.00 0.00 0.00 -0.85 0.07 0.00 0.00 177.06 176.28 1bth n GLU 39 N -1.09 0.42 -3.40 3.69 0.28 -1.26 -4.64 120.64 114.64 1bth n GLU 39 Ca 0.01 -0.20 0.02 0.00 -0.16 0.00 0.00 57.16 56.83 1bth n GLU 39 Cb 0.01 -1.59 -0.03 0.00 1.43 0.00 0.00 31.44 31.26 1bth n GLU 39 CO 0.00 0.00 0.00 -1.17 -0.16 0.00 0.00 177.13 175.80 1bth s LEU 40 N 0.00 -0.92 -0.12 -1.84 2.96 -1.26 -5.00 118.68 112.50 1bth s LEU 40 Ca 0.13 1.01 -0.06 0.00 -0.22 0.00 0.00 54.13 54.99 1bth s LEU 40 Cb 0.06 1.94 0.05 0.00 0.50 0.00 0.00 46.19 48.75 1bth s LEU 40 CO 0.00 -0.17 0.27 -0.22 -1.32 0.00 0.00 176.35 174.91 1bth s LEU 41 N 2.75 0.21 0.21 -0.68 2.96 -1.25 -3.05 118.68 119.82 1bth s LEU 41 Ca 0.01 0.59 -0.22 0.00 -0.22 0.00 0.00 54.13 54.29 1bth s LEU 41 Cb -0.10 0.81 0.05 0.00 0.50 0.00 0.00 46.19 47.44 1bth s LEU 41 CO -0.18 -0.18 0.69 0.00 -1.32 0.00 0.00 176.35 175.35 1bth s GLY 43 N -2.83 2.20 0.38 0.00 0.00 0.13 -1.59 107.32 105.61 1bth s GLY 43 Ca 0.06 -1.90 -0.13 0.00 0.00 0.00 0.00 44.72 42.75 1bth s GLY 43 CO -0.03 -1.76 0.74 0.00 0.00 0.00 0.00 173.10 172.05 1bth s ALA 44 N -2.52 -0.48 0.02 3.20 0.00 -0.84 -3.56 121.76 117.57 1bth s ALA 44 Ca 0.46 -0.89 -0.01 0.00 0.00 0.00 0.00 51.96 51.52 1bth s ALA 44 Cb -0.02 0.75 -0.02 0.00 0.00 0.00 0.00 23.12 23.83 1bth s ALA 44 CO 0.26 -0.95 -0.01 0.45 0.00 0.00 0.00 175.76 175.51 1bth s SER 45 N -3.10 0.20 -0.32 0.00 0.15 0.15 -1.83 113.70 108.95 1bth s SER 45 Ca 0.18 -0.44 -0.18 0.00 0.70 0.00 0.00 55.95 56.21 1bth s SER 45 Cb -0.04 0.11 -0.01 0.00 -1.71 0.00 0.00 66.02 64.36 1bth s SER 45 CO 0.13 -0.29 0.52 -0.22 1.20 0.00 0.00 173.24 174.57 1bth s LEU 46 N -1.38 4.24 -0.01 3.45 2.96 -0.52 0.50 118.68 127.92 1bth s LEU 46 Ca -0.15 0.15 0.17 0.00 -0.22 0.00 0.00 54.13 54.07 1bth s LEU 46 Cb -0.09 -2.61 -0.21 0.00 0.50 0.00 0.00 46.19 43.77 1bth s LEU 46 CO -0.01 -0.42 0.56 2.30 -1.32 0.00 0.00 176.35 177.46 1bth n ILE 47 N 5.35 0.00 -3.07 6.68 -5.35 -0.75 -1.76 119.36 120.47 1bth n ILE 47 Ca -0.04 -0.23 0.00 0.00 -0.27 0.00 0.00 62.75 62.20 1bth n ILE 47 Cb 0.49 0.62 0.00 0.00 -1.74 0.00 0.00 39.64 39.01 1bth n ILE 47 CO 0.00 0.00 0.00 -1.54 -1.76 0.00 0.00 176.55 173.25 1bth n SER 48 N -1.69 0.00 0.22 7.28 3.41 -1.15 -4.70 113.62 117.00 1bth n SER 48 Ca 0.00 -0.97 0.12 0.00 -0.26 0.00 0.00 58.87 57.76 1bth n SER 48 Cb 0.33 0.00 0.23 0.00 -0.26 0.00 0.00 64.21 64.51 1bth n SER 48 CO 0.00 0.00 0.00 -2.24 -0.16 0.00 0.00 175.04 172.64 1bth h ASP 49 N 0.00 0.00 0.00 4.04 2.03 -1.96 -3.35 116.42 117.18 1bth h ASP 49 Ca 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.30 1bth h ASP 49 Cb 0.00 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.50 1bth h ASP 49 CO 0.00 0.03 0.00 -1.14 -1.03 0.00 0.00 179.24 177.10 1bth n ARG 50 N -3.11 2.05 -4.70 4.15 0.63 -1.26 -0.45 116.66 113.97 1bth n ARG 50 Ca 0.03 -0.28 -0.26 0.00 -0.92 0.00 0.00 57.85 56.42 1bth n ARG 50 Cb 0.51 -0.77 -0.14 0.00 0.45 0.00 0.00 32.46 32.51 1bth n ARG 50 CO 0.00 0.00 0.00 -1.58 -2.51 0.00 0.00 177.63 173.54 1bth s TRP 51 N -0.37 1.89 -0.01 -0.14 0.52 -1.26 -0.60 118.94 118.97 1bth s TRP 51 Ca 0.00 -0.38 0.04 0.00 0.02 0.00 0.00 56.10 55.78 1bth s TRP 51 Cb 0.00 -1.13 -0.01 0.00 -1.15 0.00 0.00 33.47 31.18 1bth s TRP 51 CO 0.00 0.09 -0.12 0.08 0.02 0.00 0.00 176.95 177.02 1bth s VAL 52 N -0.78 0.93 -0.10 4.03 1.01 -0.57 -1.80 120.40 123.12 1bth s VAL 52 Ca 0.08 -0.49 0.01 0.00 0.00 0.00 0.00 61.98 61.57 1bth s VAL 52 Cb -0.09 -0.78 -0.02 0.00 0.00 0.00 0.00 36.38 35.48 1bth s VAL 52 CO 0.02 0.27 -0.11 -0.22 0.00 0.00 0.00 175.10 175.06 1bth s LEU 53 N -0.21 2.90 0.00 3.92 2.96 0.18 -1.09 118.68 127.35 1bth s LEU 53 Ca 0.03 -0.19 -0.01 0.00 -0.22 0.00 0.00 54.13 53.74 1bth s LEU 53 Cb -0.05 -1.64 0.00 0.00 0.50 0.00 0.00 46.19 45.00 1bth s LEU 53 CO -0.00 0.26 0.10 1.07 -1.32 0.00 0.00 176.35 176.46 1bth n THR 54 N 2.89 0.00 -3.53 3.68 5.66 -0.27 0.32 114.28 123.03 1bth n THR 54 Ca -0.18 -0.29 -0.36 0.00 -3.05 0.00 0.00 64.05 60.18 1bth n THR 54 Cb 0.53 0.19 -0.06 0.00 -1.55 0.00 0.00 70.33 69.44 1bth n THR 54 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1bth s ALA 55 N -1.64 3.70 0.28 1.79 0.00 -1.26 -1.22 121.76 123.41 1bth s ALA 55 Ca 0.05 -0.30 -0.03 0.00 0.00 0.00 0.00 51.96 51.67 1bth s ALA 55 Cb -0.00 -2.33 0.38 0.00 0.00 0.00 0.00 23.12 21.17 1bth s ALA 55 CO 0.03 0.53 1.96 0.00 0.00 0.00 0.00 175.76 178.28 1bth h ALA 56 N 4.01 1.37 0.00 0.00 0.00 -1.71 -2.49 119.26 120.43 1bth h ALA 56 Ca -0.50 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.35 1bth h ALA 56 Cb 1.20 -0.36 0.00 0.00 0.00 0.00 0.00 17.79 18.63 1bth h ALA 56 CO 0.65 0.59 0.00 -2.39 0.00 0.00 0.00 179.25 178.09 1bth n HIS 57 N -4.40 0.39 0.45 0.00 1.44 -1.26 -1.77 115.22 110.07 1bth n HIS 57 Ca 0.10 0.16 0.13 0.00 -2.01 0.00 0.00 57.72 56.10 1bth n HIS 57 Cb 0.02 -0.76 0.30 0.00 0.12 0.00 0.00 29.99 29.67 1bth n HIS 57 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1bth n LEU 59 N -2.62 4.19 -4.35 0.00 4.77 -0.73 -4.99 117.00 113.27 1bth n LEU 59 Ca 0.05 -3.18 -0.20 0.00 -0.03 0.00 0.00 56.01 52.65 1bth n LEU 59 Cb 0.47 -0.59 -0.10 0.00 -2.33 0.00 0.00 43.42 40.87 1bth n LEU 59 CO 0.32 0.79 -0.46 -0.76 -1.33 0.00 0.00 177.39 175.95 1bth s LEU 60 N -2.93 2.52 0.00 2.23 1.43 -1.22 -4.95 118.68 115.76 1bth s LEU 60 Ca 0.44 -0.96 0.00 0.00 -1.03 0.00 0.00 54.13 52.58 1bth s LEU 60 Cb 0.37 -0.78 0.00 0.00 0.03 0.00 0.00 46.19 45.81 1bth s LEU 60 CO 0.08 -0.10 0.00 -1.22 0.23 0.00 0.00 176.35 175.34 1bth n TYR 60 N -0.16 0.00 -0.06 0.29 4.02 -1.26 -5.03 117.16 114.96 1bth n TYR 60 Ca -0.10 0.00 -0.22 0.00 -0.01 0.00 0.00 57.90 57.58 1bth n TYR 60 Cb 0.59 0.00 -0.13 0.00 -0.02 0.00 0.00 39.34 39.78 1bth n TYR 60 CO 0.00 0.00 0.00 -2.30 -1.01 0.00 0.00 176.86 173.55 1bth n PRO 60 N 0.00 0.66 0.00 -0.72 -0.02 -1.26 -4.87 135.00 128.79 1bth n PRO 60 Ca 0.00 0.39 0.04 0.00 -2.02 0.00 0.00 63.50 61.91 1bth n PRO 60 Cb 0.00 -1.70 0.25 0.00 -0.02 0.00 0.00 33.50 32.03 1bth n PRO 60 CO 0.00 0.00 0.00 -2.67 1.98 0.00 0.00 175.50 174.81 1bth n TRP 60 N -3.92 0.00 0.08 6.00 2.14 -1.26 -1.34 117.44 119.15 1bth n TRP 60 Ca -0.34 0.00 -0.17 0.00 2.07 0.00 0.00 57.50 59.06 1bth n TRP 60 Cb 0.88 -0.07 -0.14 0.00 -0.81 0.00 0.00 31.31 31.17 1bth n TRP 60 CO 0.00 0.00 0.00 -0.44 2.07 0.00 0.00 177.69 179.32 1bth h ASP 60 N 0.00 0.44 -1.45 -0.67 5.19 -2.06 -3.47 116.42 114.40 1bth h ASP 60 Ca 0.00 -0.54 -0.29 0.00 -0.62 0.00 0.00 57.03 55.58 1bth h ASP 60 Cb 0.02 -0.14 -0.06 0.00 0.18 0.00 0.00 39.33 39.33 1bth h ASP 60 CO 0.00 1.44 -0.32 0.29 -3.12 0.00 0.00 179.24 177.53 1bth n LYS 60 N -3.50 -1.08 -3.53 3.56 5.02 -0.45 -4.98 118.16 113.19 1bth n LYS 60 Ca -0.14 0.83 -0.37 0.00 -2.02 0.00 0.00 58.31 56.61 1bth n LYS 60 Cb 1.04 -5.04 -0.08 0.00 -0.02 0.00 0.00 35.03 30.93 1bth n LYS 60 CO 0.00 0.00 0.00 1.21 -0.52 0.00 0.00 177.40 178.09 1bth s ASN 60 N -2.57 6.34 0.00 4.39 3.84 -1.26 -4.88 114.94 120.80 1bth s ASN 60 Ca 0.00 0.39 0.00 0.00 0.21 0.00 0.00 52.86 53.46 1bth s ASN 60 Cb 0.00 -2.17 0.00 0.00 -0.55 0.00 0.00 41.25 38.53 1bth s ASN 60 CO 0.00 0.04 0.00 0.49 -2.79 0.00 0.00 177.10 174.84 1bth n PHE 60 N 4.04 0.00 0.26 0.43 3.72 -1.26 -4.74 117.46 119.91 1bth n PHE 60 Ca -0.12 0.00 0.11 0.00 -0.05 0.00 0.00 57.45 57.39 1bth n PHE 60 Cb 0.52 0.00 0.72 0.00 -0.94 0.00 0.00 39.48 39.77 1bth n PHE 60 CO 0.00 0.00 0.00 1.15 -0.05 0.00 0.00 176.76 177.86 1bth h THR 60 N 0.50 0.79 -3.86 4.37 2.02 -2.00 -3.47 112.91 111.25 1bth h THR 60 Ca 0.00 -0.25 -0.14 0.00 0.77 0.00 0.00 66.41 66.79 1bth h THR 60 Cb 0.25 1.15 0.01 0.00 -1.74 0.00 0.00 68.15 67.81 1bth h THR 60 CO 0.00 0.07 -0.52 -0.62 0.37 0.00 0.00 175.52 174.82 1bth n GLU 61 N -4.09 -0.69 0.00 6.66 1.02 -1.26 -4.96 120.64 117.32 1bth n GLU 61 Ca -0.03 0.56 0.00 0.00 -0.02 0.00 0.00 57.16 57.67 1bth n GLU 61 Cb 0.15 -0.77 0.00 0.00 -0.02 0.00 0.00 31.44 30.80 1bth n GLU 61 CO 0.00 0.00 0.00 -1.71 1.18 0.00 0.00 177.13 176.60 1bth n ASN 62 N 0.68 0.00 0.00 1.62 2.85 -1.26 -4.89 115.26 114.26 1bth n ASN 62 Ca -0.03 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.44 1bth n ASN 62 Cb 0.28 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.30 1bth n ASN 62 CO 0.00 0.00 0.00 -0.90 -2.11 0.00 0.00 177.26 174.25 1bth n ASP 63 N 0.00 0.00 -4.84 1.20 5.68 -1.26 -5.16 116.55 112.17 1bth n ASP 63 Ca 0.00 -0.45 -0.22 0.00 -0.50 0.00 0.00 54.79 53.63 1bth n ASP 63 Cb 0.00 0.00 -0.04 0.00 -1.14 0.00 0.00 41.12 39.94 1bth n ASP 63 CO 0.00 0.00 0.00 -1.48 -1.33 0.00 0.00 177.20 174.39 1bth s LEU 64 N 0.00 3.78 -0.16 -2.12 2.34 -1.26 -4.81 118.68 116.45 1bth s LEU 64 Ca 0.00 -0.30 -0.08 0.00 0.06 0.00 0.00 54.13 53.81 1bth s LEU 64 Cb 0.00 -2.35 -0.04 0.00 -0.56 0.00 0.00 46.19 43.24 1bth s LEU 64 CO 0.00 -0.14 0.11 -0.76 -1.06 0.00 0.00 176.35 174.50 1bth s LEU 65 N -3.90 4.12 -0.41 1.48 1.02 0.47 -4.65 118.68 116.81 1bth s LEU 65 Ca 0.36 0.26 -0.09 0.00 0.02 0.00 0.00 54.13 54.68 1bth s LEU 65 Cb -0.07 -2.03 0.08 0.00 0.02 0.00 0.00 46.19 44.18 1bth s LEU 65 CO 0.26 0.26 0.24 -0.69 0.02 0.00 0.00 176.35 176.44 1bth s VAL 66 N -0.16 4.13 -0.33 -1.59 1.01 -1.14 -0.01 120.40 122.32 1bth s VAL 66 Ca 0.09 -1.41 -0.10 0.00 0.00 0.00 0.00 61.98 60.56 1bth s VAL 66 Cb -0.12 -3.53 -0.00 0.00 0.00 0.00 0.00 36.38 32.74 1bth s VAL 66 CO 0.01 -0.48 0.18 -0.13 0.00 0.00 0.00 175.10 174.67 1bth s ARG 67 N 1.41 3.24 -0.16 2.72 0.52 0.09 -1.12 118.95 125.65 1bth s ARG 67 Ca 0.03 -0.79 -0.04 0.00 -0.52 0.00 0.00 55.73 54.41 1bth s ARG 67 Cb -0.23 -3.64 -0.03 0.00 0.52 0.00 0.00 34.95 31.57 1bth s ARG 67 CO 0.02 -0.49 -0.03 0.42 0.02 0.00 0.00 175.30 175.24 1bth s ILE 68 N 1.62 3.93 0.00 1.52 1.01 -0.25 -0.64 121.20 128.40 1bth s ILE 68 Ca 0.04 -0.34 0.00 0.00 0.00 0.00 0.00 60.65 60.35 1bth s ILE 68 Cb -0.18 -2.73 0.00 0.00 0.01 0.00 0.00 42.46 39.57 1bth s ILE 68 CO 0.07 0.49 0.00 0.61 0.00 0.00 0.00 174.94 176.11 1bth n GLY 69 N 3.53 1.06 3.87 6.18 0.00 -1.25 -1.02 105.19 117.56 1bth n GLY 69 Ca -0.17 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.54 1bth n GLY 69 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1bth s LYS 70 N -0.79 3.69 0.13 1.61 1.02 -1.26 -4.31 119.74 119.82 1bth s LYS 70 Ca 0.00 0.64 0.00 0.00 0.02 0.00 0.00 55.97 56.63 1bth s LYS 70 Cb 0.00 -2.20 0.00 0.00 -0.52 0.00 0.00 37.83 35.11 1bth s LYS 70 CO 0.00 -0.35 0.00 1.58 -0.92 0.00 0.00 175.35 175.66 1bth n HIS 71 N -2.18 -0.99 -2.42 3.18 -0.00 -1.26 -4.91 115.22 106.65 1bth n HIS 71 Ca 0.04 0.17 -0.41 0.00 -0.00 0.00 0.00 57.72 57.53 1bth n HIS 71 Cb 0.54 0.35 -0.04 0.00 -0.00 0.00 0.00 29.99 30.84 1bth n HIS 71 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.34 176.79 1bth s SER 72 N -5.22 7.17 -0.06 0.26 0.15 -1.26 -0.10 113.70 114.63 1bth s SER 72 Ca 0.00 2.27 -0.26 0.00 0.70 0.00 0.00 55.95 58.65 1bth s SER 72 Cb 0.00 -2.62 -0.22 0.00 -1.71 0.00 0.00 66.02 61.47 1bth s SER 72 CO 0.00 -0.26 1.10 -0.09 1.20 0.00 0.00 173.24 175.19 1bth h ARG 73 N 4.42 0.04 0.10 5.44 2.43 -0.81 -3.40 114.38 122.60 1bth h ARG 73 Ca -0.46 -0.03 -0.30 0.00 -0.81 0.00 0.00 59.98 58.38 1bth h ARG 73 Cb 1.21 0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 30.76 1bth h ARG 73 CO 0.70 0.70 -1.58 1.79 -1.51 0.00 0.00 179.97 180.07 1bth h THR 74 N -0.62 0.88 -3.66 0.20 1.35 -1.88 -3.48 112.91 105.72 1bth h THR 74 Ca -0.00 -2.35 -0.51 0.00 -0.55 0.00 0.00 66.41 63.00 1bth h THR 74 Cb 0.71 2.57 0.02 0.00 -1.73 0.00 0.00 68.15 69.72 1bth h THR 74 CO 0.01 0.70 0.52 -0.60 -0.25 0.00 0.00 175.52 175.90 1bth s ARG 75 N -2.49 4.56 0.06 4.72 3.52 -1.26 -4.99 118.95 123.07 1bth s ARG 75 Ca -0.22 1.85 -0.31 0.00 -0.13 0.00 0.00 55.73 56.93 1bth s ARG 75 Cb 0.05 -3.21 -0.06 0.00 -1.56 0.00 0.00 34.95 30.18 1bth s ARG 75 CO 0.74 0.05 1.19 -0.47 -0.81 0.00 0.00 175.30 176.00 1bth s TYR 76 N -0.62 3.45 -0.82 5.12 5.04 -1.26 -4.80 117.35 123.47 1bth s TYR 76 Ca 0.49 1.33 -0.06 0.00 -2.44 0.00 0.00 57.07 56.39 1bth s TYR 76 Cb -0.32 -3.40 0.21 0.00 0.35 0.00 0.00 41.96 38.79 1bth s TYR 76 CO 0.40 -1.20 0.71 -1.21 -1.34 0.00 0.00 175.55 172.90 1bth s GLU 77 N 1.03 3.23 0.25 4.97 2.02 -1.26 -5.05 118.70 123.88 1bth s GLU 77 Ca 0.58 -2.86 -0.31 0.00 0.02 0.00 0.00 54.97 52.40 1bth s GLU 77 Cb -0.29 -4.06 -0.12 0.00 0.10 0.00 0.00 34.13 29.76 1bth s GLU 77 CO 0.29 -1.24 1.62 -2.13 0.02 0.00 0.00 175.26 173.83 1bth n ARG 77 N 3.09 2.61 -0.54 1.61 0.63 -1.26 -0.45 116.66 122.35 1bth n ARG 77 Ca 0.16 0.94 0.00 0.00 -0.92 0.00 0.00 57.85 58.02 1bth n ARG 77 Cb 0.40 -2.73 0.00 0.00 0.45 0.00 0.00 32.46 30.58 1bth n ARG 77 CO 0.00 0.00 0.00 0.09 -2.51 0.00 0.00 177.63 175.21 1bth n ASN 78 N 2.92 0.00 0.00 6.15 4.13 -1.26 -4.71 115.26 122.50 1bth n ASN 78 Ca 0.12 0.00 -0.03 0.00 1.68 0.00 0.00 54.58 56.35 1bth n ASN 78 Cb 0.35 -0.49 -0.01 0.00 -1.54 0.00 0.00 39.78 38.09 1bth n ASN 78 CO 0.00 0.00 0.00 -0.38 0.28 0.00 0.00 177.26 177.16 1bth n ILE 79 N -2.00 1.26 -3.02 2.41 5.41 -0.93 -5.04 119.36 117.46 1bth n ILE 79 Ca 0.00 0.30 -0.36 0.00 1.00 0.00 0.00 62.75 63.69 1bth n ILE 79 Cb 0.00 -1.80 -0.06 0.00 -0.71 0.00 0.00 39.64 37.06 1bth n ILE 79 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 176.55 174.72 1bth s GLU 80 N -2.27 4.32 -0.06 0.38 -1.05 0.40 -4.74 118.70 115.68 1bth s GLU 80 Ca -0.09 0.97 0.04 0.00 -0.15 0.00 0.00 54.97 55.75 1bth s GLU 80 Cb 0.01 -2.82 -0.00 0.00 -0.44 0.00 0.00 34.13 30.88 1bth s GLU 80 CO 0.13 0.34 -0.19 0.15 0.95 0.00 0.00 175.26 176.65 1bth s LYS 81 N -2.08 2.14 -0.24 -4.83 1.02 -0.19 -4.83 119.74 110.74 1bth s LYS 81 Ca 0.46 -0.67 -0.04 0.00 0.02 0.00 0.00 55.97 55.74 1bth s LYS 81 Cb -0.17 -1.76 0.00 0.00 -0.52 0.00 0.00 37.83 35.38 1bth s LYS 81 CO 0.21 0.21 -0.02 0.42 -0.92 0.00 0.00 175.35 175.25 1bth s ILE 82 N 0.19 3.35 0.49 2.17 1.01 -1.26 -1.09 121.20 126.06 1bth s ILE 82 Ca -0.09 -0.66 0.07 0.00 0.00 0.00 0.00 60.65 59.97 1bth s ILE 82 Cb -0.14 -2.61 0.01 0.00 0.01 0.00 0.00 42.46 39.74 1bth s ILE 82 CO 0.04 0.30 0.43 -0.44 0.00 0.00 0.00 174.94 175.27 1bth s SER 83 N 1.44 4.85 0.12 3.58 0.01 -0.28 -4.96 113.70 118.46 1bth s SER 83 Ca 0.04 -0.99 0.08 0.00 1.31 0.00 0.00 55.95 56.39 1bth s SER 83 Cb -0.15 -0.05 -0.04 0.00 0.21 0.00 0.00 66.02 65.99 1bth s SER 83 CO -0.03 -0.92 -0.19 -0.32 0.41 0.00 0.00 173.24 172.20 1bth s MET 84 N -4.24 1.12 -0.30 12.44 1.75 -1.26 -2.87 119.30 125.94 1bth s MET 84 Ca 0.43 -1.21 -0.29 0.00 -1.25 0.00 0.00 55.69 53.37 1bth s MET 84 Cb -0.03 -1.25 0.01 0.00 2.84 0.00 0.00 34.83 36.40 1bth s MET 84 CO 0.26 0.28 1.18 -0.51 -0.65 0.00 0.00 175.02 175.57 1bth s LEU 85 N -2.15 3.94 -0.07 4.11 1.43 -1.26 -0.80 118.68 123.87 1bth s LEU 85 Ca 0.08 1.18 -0.23 0.00 -1.03 0.00 0.00 54.13 54.13 1bth s LEU 85 Cb -0.08 -3.54 -0.18 0.00 0.03 0.00 0.00 46.19 42.41 1bth s LEU 85 CO 0.04 -0.94 0.88 -0.08 0.23 0.00 0.00 176.35 176.48 1bth h GLU 86 N 8.54 -0.10 -2.96 1.70 4.81 -0.74 -3.44 114.58 122.39 1bth h GLU 86 Ca -0.23 0.01 -0.16 0.00 -0.13 0.00 0.00 59.36 58.85 1bth h GLU 86 Cb 1.08 0.02 -0.27 0.00 0.63 0.00 0.00 28.75 30.22 1bth h GLU 86 CO 1.03 0.45 -0.39 0.21 -0.73 0.00 0.00 179.01 179.58 1bth s LYS 87 N -3.20 0.32 -0.10 1.92 2.47 -0.94 -4.98 119.74 115.23 1bth s LYS 87 Ca -0.14 0.51 -0.02 0.00 -1.56 0.00 0.00 55.97 54.75 1bth s LYS 87 Cb -0.00 0.06 -0.03 0.00 -1.46 0.00 0.00 37.83 36.40 1bth s LYS 87 CO 0.54 -0.09 -0.01 0.42 0.16 0.00 0.00 175.35 176.36 1bth s ILE 88 N 0.65 4.16 -0.22 5.43 1.01 -1.26 0.79 121.20 131.77 1bth s ILE 88 Ca -0.04 -0.29 -0.02 0.00 0.00 0.00 0.00 60.65 60.30 1bth s ILE 88 Cb -0.05 -2.76 0.06 0.00 0.01 0.00 0.00 42.46 39.72 1bth s ILE 88 CO -0.04 0.57 0.02 -0.31 0.00 0.00 0.00 174.94 175.18 1bth s TYR 89 N -0.56 1.46 0.04 3.97 2.02 0.12 -4.99 117.35 119.41 1bth s TYR 89 Ca 0.09 -1.19 -0.12 0.00 -0.37 0.00 0.00 57.07 55.48 1bth s TYR 89 Cb -0.12 -1.25 -0.06 0.00 -0.40 0.00 0.00 41.96 40.14 1bth s TYR 89 CO 0.02 -0.68 0.40 0.42 -1.57 0.00 0.00 175.55 174.13 1bth s ILE 90 N 1.71 5.08 0.02 2.71 1.01 -1.26 -0.00 121.20 130.46 1bth s ILE 90 Ca -0.01 0.62 -0.32 0.00 0.00 0.00 0.00 60.65 60.94 1bth s ILE 90 Cb -0.18 -3.66 -0.11 0.00 0.01 0.00 0.00 42.46 38.52 1bth s ILE 90 CO -0.09 0.43 1.87 1.57 0.00 0.00 0.00 174.94 178.72 1bth n HIS 91 N 1.35 2.45 0.13 3.97 -0.00 -0.46 -4.84 115.22 117.81 1bth n HIS 91 Ca -0.11 -0.13 0.08 0.00 -0.00 0.00 0.00 57.72 57.56 1bth n HIS 91 Cb 0.52 -2.71 0.41 0.00 -0.00 0.00 0.00 29.99 28.21 1bth n HIS 91 CO 0.00 0.00 0.00 -0.35 -0.00 0.00 0.00 176.34 175.99 1bth n PRO 92 N 6.39 0.10 -0.12 1.57 -0.04 -1.26 -1.80 135.00 139.84 1bth n PRO 92 Ca 0.20 0.59 0.04 0.00 -0.04 0.00 0.00 63.50 64.29 1bth n PRO 92 Cb 0.35 -1.82 0.10 0.00 -0.04 0.00 0.00 33.50 32.09 1bth n PRO 92 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1bth n ARG 93 N -2.02 2.82 -2.06 0.54 5.12 -1.26 -5.01 116.66 114.79 1bth n ARG 93 Ca -0.01 -1.93 -0.42 0.00 -1.93 0.00 0.00 57.85 53.56 1bth n ARG 93 Cb 0.03 -1.22 -0.03 0.00 -1.16 0.00 0.00 32.46 30.08 1bth n ARG 93 CO 0.00 0.00 0.00 -0.47 -1.93 0.00 0.00 177.63 175.23 1bth s TYR 94 N -1.27 2.85 -0.19 -1.55 5.04 -0.74 -4.81 117.35 116.67 1bth s TYR 94 Ca 0.16 0.66 -0.01 0.00 -2.44 0.00 0.00 57.07 55.44 1bth s TYR 94 Cb 0.10 -3.81 0.01 0.00 0.35 0.00 0.00 41.96 38.61 1bth s TYR 94 CO 0.08 -3.07 -0.15 -0.80 -1.34 0.00 0.00 175.55 170.28 1bth s ASN 95 N 1.72 3.51 -0.00 4.32 0.01 -1.14 -5.00 114.94 118.36 1bth s ASN 95 Ca 0.68 -0.58 -0.00 0.00 -0.71 0.00 0.00 52.86 52.26 1bth s ASN 95 Cb -0.38 -1.56 -0.00 0.00 0.41 0.00 0.00 41.25 39.72 1bth s ASN 95 CO 0.30 -0.01 -0.00 4.11 -1.51 0.00 0.00 177.10 179.99 1bth h TRP 96 N 7.99 0.00 0.00 2.20 5.08 -1.94 1.02 115.95 130.30 1bth h TRP 96 Ca -0.44 0.00 -0.59 0.00 1.08 0.00 0.00 58.89 58.94 1bth h TRP 96 Cb 1.15 0.00 0.02 0.00 -3.00 0.00 0.00 29.16 27.32 1bth h TRP 96 CO 0.51 0.00 2.79 -2.13 -1.28 0.00 0.00 178.44 178.33 1bth n ARG 97 N -2.28 2.27 0.00 0.12 0.63 -1.26 -4.18 116.66 111.96 1bth n ARG 97 Ca -0.00 -1.94 0.00 0.00 -0.92 0.00 0.00 57.85 54.98 1bth n ARG 97 Cb 0.00 -2.85 0.00 0.00 0.45 0.00 0.00 32.46 30.07 1bth n ARG 97 CO 0.00 0.00 0.00 -1.91 -2.51 0.00 0.00 177.63 173.21 1bth n GLU 97 N 5.52 0.00 0.01 -0.14 2.13 -1.26 -5.04 120.64 121.87 1bth n GLU 97 Ca 0.53 0.00 0.11 0.00 0.66 0.00 0.00 57.16 58.46 1bth n GLU 97 Cb 0.30 0.00 0.10 0.00 0.27 0.00 0.00 31.44 32.11 1bth n GLU 97 CO 0.00 0.00 0.00 0.27 -0.41 0.00 0.00 177.13 176.99 1bth n ASN 98 N 0.00 0.64 -1.10 4.31 0.23 -1.23 -4.95 115.26 113.17 1bth n ASN 98 Ca 0.00 -0.33 -0.13 0.00 -0.53 0.00 0.00 54.58 53.59 1bth n ASN 98 Cb 0.00 0.57 -0.05 0.00 -2.08 0.00 0.00 39.78 38.22 1bth n ASN 98 CO 0.00 0.00 0.00 0.18 -0.93 0.00 0.00 177.26 176.51 1bth n LEU 99 N -1.72 -1.07 -4.82 -4.53 4.32 0.35 -4.86 117.00 104.67 1bth n LEU 99 Ca 0.04 0.26 -0.34 0.00 -0.02 0.00 0.00 56.01 55.95 1bth n LEU 99 Cb 0.38 -2.00 -0.06 0.00 -1.62 0.00 0.00 43.42 40.12 1bth n LEU 99 CO 0.38 -0.59 0.51 -0.62 -1.22 0.00 0.00 177.39 175.85 1bth s ASP 100 N -2.78 6.99 -1.35 -1.43 2.15 -1.23 -4.24 116.67 114.78 1bth s ASP 100 Ca 0.00 1.50 -0.06 0.00 0.43 0.00 0.00 52.55 54.42 1bth s ASP 100 Cb 0.00 -2.46 0.02 0.00 -0.30 0.00 0.00 42.92 40.19 1bth s ASP 100 CO 0.00 -0.14 1.01 0.54 -0.17 0.00 0.00 175.17 176.41 1bth n ARG 101 N 0.06 -6.57 -2.42 4.34 1.74 -1.26 -2.89 116.66 109.65 1bth n ARG 101 Ca 0.02 0.75 -0.38 0.00 -0.77 0.00 0.00 57.85 57.47 1bth n ARG 101 Cb 0.52 -5.67 -0.02 0.00 -1.02 0.00 0.00 32.46 26.27 1bth n ARG 101 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 1bth s ASP 102 N -3.77 6.26 -0.06 0.55 2.15 -1.26 -4.39 116.67 116.15 1bth s ASP 102 Ca 0.35 -2.17 -0.14 0.00 0.43 0.00 0.00 52.55 51.03 1bth s ASP 102 Cb -0.16 -2.58 0.03 0.00 -0.30 0.00 0.00 42.92 39.90 1bth s ASP 102 CO 0.77 -1.79 0.32 -0.51 -0.17 0.00 0.00 175.17 173.79 1bth s ILE 103 N 6.41 0.04 -0.22 4.11 2.07 -1.26 -4.11 121.20 128.23 1bth s ILE 103 Ca 0.58 -0.30 -0.17 0.00 -1.41 0.00 0.00 60.65 59.36 1bth s ILE 103 Cb 0.02 -0.56 0.06 0.00 0.13 0.00 0.00 42.46 42.11 1bth s ILE 103 CO 0.09 -0.16 0.57 0.00 -1.91 0.00 0.00 174.94 173.52 1bth s ALA 104 N -0.76 -1.44 0.13 1.50 0.00 -0.35 -1.36 121.76 119.48 1bth s ALA 104 Ca -0.08 1.77 0.04 0.00 0.00 0.00 0.00 51.96 53.69 1bth s ALA 104 Cb -0.04 -1.04 -0.04 0.00 0.00 0.00 0.00 23.12 22.00 1bth s ALA 104 CO 0.03 -0.29 0.10 -0.51 0.00 0.00 0.00 175.76 175.08 1bth s LEU 105 N 0.80 3.75 -0.03 0.00 1.43 1.00 -1.11 118.68 124.51 1bth s LEU 105 Ca -0.04 -0.11 -0.01 0.00 -1.03 0.00 0.00 54.13 52.94 1bth s LEU 105 Cb -0.05 -2.39 0.03 0.00 0.03 0.00 0.00 46.19 43.81 1bth s LEU 105 CO -0.06 0.11 0.05 -0.04 0.23 0.00 0.00 176.35 176.64 1bth s MET 106 N -2.80 -0.06 -0.11 1.70 -1.94 -0.25 0.11 119.30 115.95 1bth s MET 106 Ca 0.30 0.30 -0.19 0.00 -1.71 0.00 0.00 55.69 54.39 1bth s MET 106 Cb -0.11 -0.38 -0.04 0.00 2.01 0.00 0.00 34.83 36.31 1bth s MET 106 CO 0.22 -0.25 0.50 0.21 -0.01 0.00 0.00 175.02 175.69 1bth s LYS 107 N 1.66 4.35 0.16 2.03 2.20 0.24 -1.51 119.74 128.86 1bth s LYS 107 Ca -0.02 0.50 -0.29 0.00 -0.36 0.00 0.00 55.97 55.80 1bth s LYS 107 Cb -0.12 -3.44 -0.07 0.00 -1.51 0.00 0.00 37.83 32.68 1bth s LYS 107 CO -0.03 0.14 0.91 -0.51 -0.36 0.00 0.00 175.35 175.51 1bth s LEU 108 N 0.66 4.56 0.29 5.43 1.43 0.23 -0.08 118.68 131.21 1bth s LEU 108 Ca 0.27 1.81 0.04 0.00 -1.03 0.00 0.00 54.13 55.22 1bth s LEU 108 Cb -0.15 -3.53 0.67 0.00 0.03 0.00 0.00 46.19 43.20 1bth s LEU 108 CO 0.11 0.06 1.77 0.50 0.23 0.00 0.00 176.35 179.03 1bth h LYS 109 N 4.89 0.72 -4.87 1.70 1.63 -1.27 -3.42 116.57 115.94 1bth h LYS 109 Ca -0.44 -0.04 -0.40 0.00 -0.85 0.00 0.00 60.65 58.91 1bth h LYS 109 Cb 1.21 -0.16 -0.28 0.00 -0.60 0.00 0.00 32.23 32.40 1bth h LYS 109 CO 0.70 0.47 -0.78 0.15 -3.45 0.00 0.00 179.45 176.54 1bth s LYS 110 N -5.89 0.80 0.20 1.90 3.01 -1.26 -4.95 119.74 113.55 1bth s LYS 110 Ca -0.12 -0.44 -0.31 0.00 -1.01 0.00 0.00 55.97 54.10 1bth s LYS 110 Cb 0.24 -0.76 -0.10 0.00 -1.01 0.00 0.00 37.83 36.19 1bth s LYS 110 CO 0.80 0.20 1.52 -1.25 0.51 0.00 0.00 175.35 177.13 1bth s PRO 111 N -0.45 4.23 0.31 -1.68 0.04 -1.26 -4.87 135.00 131.32 1bth s PRO 111 Ca 0.03 2.35 -0.24 0.00 0.04 0.00 0.00 61.00 63.18 1bth s PRO 111 Cb -0.05 -3.13 -0.10 0.00 0.04 0.00 0.00 34.50 31.26 1bth s PRO 111 CO -0.00 -0.54 0.88 0.54 0.04 0.00 0.00 177.00 177.92 1bth s VAL 112 N 0.68 4.33 -0.13 -0.36 0.11 0.41 -4.99 120.40 120.45 1bth s VAL 112 Ca 0.66 1.63 -0.11 0.00 -2.93 0.00 0.00 61.98 61.22 1bth s VAL 112 Cb -0.43 -3.92 -0.05 0.00 -1.53 0.00 0.00 36.38 30.45 1bth s VAL 112 CO 0.36 0.10 0.24 0.00 -3.33 0.00 0.00 175.10 172.47 1bth s ALA 113 N -1.67 3.70 0.77 1.54 0.00 -1.26 -4.76 121.76 120.08 1bth s ALA 113 Ca 0.50 -0.51 -0.11 0.00 0.00 0.00 0.00 51.96 51.84 1bth s ALA 113 Cb -0.17 -2.24 0.05 0.00 0.00 0.00 0.00 23.12 20.77 1bth s ALA 113 CO 0.22 0.31 1.09 -0.06 0.00 0.00 0.00 175.76 177.32 1bth s PHE 114 N -0.20 2.96 0.00 0.00 0.08 -1.26 -4.90 117.98 114.66 1bth s PHE 114 Ca 0.16 1.15 0.00 0.00 0.12 0.00 0.00 56.93 58.36 1bth s PHE 114 Cb -0.13 -3.09 0.00 0.00 -0.57 0.00 0.00 43.02 39.23 1bth s PHE 114 CO 0.04 -1.60 0.00 -1.13 -0.10 0.00 0.00 175.22 172.43 1bth n SER 115 N -3.32 0.00 0.24 1.36 3.41 -0.64 -4.92 113.62 109.75 1bth n SER 115 Ca 0.07 -0.30 0.11 0.00 -0.26 0.00 0.00 58.87 58.49 1bth n SER 115 Cb 0.56 0.00 0.57 0.00 -0.26 0.00 0.00 64.21 65.08 1bth n SER 115 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 1bth h ASP 116 N 0.00 0.00 0.00 4.04 3.32 -1.99 -3.20 116.42 118.59 1bth h ASP 116 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1bth h ASP 116 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 1bth h ASP 116 CO 0.00 0.18 -0.80 -1.22 -1.72 0.00 0.00 179.24 175.68 1bth n TYR 117 N -3.44 0.00 -4.60 4.55 4.01 -1.26 -4.73 117.16 111.69 1bth n TYR 117 Ca -0.00 0.00 -0.26 0.00 -0.16 0.00 0.00 57.90 57.47 1bth n TYR 117 Cb 0.36 -0.01 -0.17 0.00 -0.31 0.00 0.00 39.34 39.21 1bth n TYR 117 CO 0.00 0.00 0.00 0.42 -0.46 0.00 0.00 176.86 176.82 1bth s ILE 118 N -2.57 1.30 -0.29 -0.72 1.01 -1.21 -4.38 121.20 114.34 1bth s ILE 118 Ca 0.06 -0.56 -0.20 0.00 0.00 0.00 0.00 60.65 59.95 1bth s ILE 118 Cb 0.12 -1.18 0.15 0.00 0.01 0.00 0.00 42.46 41.56 1bth s ILE 118 CO 0.68 0.39 1.08 -2.28 0.00 0.00 0.00 174.94 174.81 1bth s HIS 119 N 0.73 -0.43 0.52 3.97 2.46 -0.48 -1.62 115.29 120.45 1bth s HIS 119 Ca -0.13 0.94 -0.19 0.00 0.47 0.00 0.00 55.06 56.14 1bth s HIS 119 Cb -0.16 0.34 -0.07 0.00 -0.13 0.00 0.00 32.58 32.57 1bth s HIS 119 CO 0.03 -0.21 1.08 -1.25 -2.47 0.00 0.00 174.74 171.91 1bth s PRO 120 N 0.78 3.55 0.45 2.88 0.04 -1.26 -2.62 135.00 138.81 1bth s PRO 120 Ca -0.03 1.44 -0.01 0.00 0.04 0.00 0.00 61.00 62.44 1bth s PRO 120 Cb -0.04 -2.05 -0.01 0.00 0.04 0.00 0.00 34.50 32.43 1bth s PRO 120 CO -0.12 -0.65 0.68 0.14 0.04 0.00 0.00 177.00 177.10 1bth s VAL 121 N -1.96 4.35 0.24 -0.36 -7.23 -0.72 -4.93 120.40 109.78 1bth s VAL 121 Ca 0.69 -0.33 -0.05 0.00 -1.81 0.00 0.00 61.98 60.48 1bth s VAL 121 Cb -0.19 -3.62 -0.05 0.00 0.56 0.00 0.00 36.38 33.07 1bth s VAL 121 CO 0.25 -0.48 0.49 0.00 -0.31 0.00 0.00 175.10 175.05 1bth s LEU 123 N -3.24 4.39 0.28 0.00 1.43 -1.26 -1.12 118.68 119.15 1bth s LEU 123 Ca 0.43 0.52 -0.30 0.00 -1.03 0.00 0.00 54.13 53.75 1bth s LEU 123 Cb -0.11 -2.40 -0.10 0.00 0.03 0.00 0.00 46.19 43.60 1bth s LEU 123 CO 0.28 0.33 1.45 -2.16 0.23 0.00 0.00 176.35 176.47 1bth s PRO 124 N -1.43 4.24 0.19 1.29 0.04 -1.26 -4.90 135.00 133.18 1bth s PRO 124 Ca 0.22 2.35 0.05 0.00 0.04 0.00 0.00 61.00 63.67 1bth s PRO 124 Cb -0.13 -3.08 -0.04 0.00 0.04 0.00 0.00 34.50 31.30 1bth s PRO 124 CO 0.11 -0.43 0.18 0.16 0.04 0.00 0.00 177.00 177.07 1bth s ASP 125 N 0.20 5.65 0.21 6.66 -4.77 -1.26 -4.84 116.67 118.52 1bth s ASP 125 Ca 0.58 -0.12 0.02 0.00 -3.30 0.00 0.00 52.55 49.72 1bth s ASP 125 Cb -0.43 -1.50 0.52 0.00 -1.09 0.00 0.00 42.92 40.42 1bth s ASP 125 CO 0.47 0.03 1.03 -1.14 0.70 0.00 0.00 175.17 176.26 1bth n ARG 126 N -0.65 -0.05 -0.10 2.11 0.63 -1.26 0.22 116.66 117.55 1bth n ARG 126 Ca -0.08 0.98 -0.14 0.00 -0.92 0.00 0.00 57.85 57.69 1bth n ARG 126 Cb 0.56 -1.57 -0.04 0.00 0.45 0.00 0.00 32.46 31.86 1bth n ARG 126 CO 0.00 0.00 0.00 0.93 -2.51 0.00 0.00 177.63 176.05 1bth h GLU 127 N 0.00 0.82 -1.55 -0.14 4.39 -2.03 -3.21 114.58 112.86 1bth h GLU 127 Ca 0.41 -0.45 0.00 0.00 0.34 0.00 0.00 59.36 59.65 1bth h GLU 127 Cb 0.86 0.03 0.00 0.00 -0.10 0.00 0.00 28.75 29.53 1bth h GLU 127 CO -0.61 1.09 0.00 2.41 -1.16 0.00 0.00 179.01 180.74 1bth n THR 128 N -4.14 0.10 0.00 1.13 -1.04 0.13 -1.82 114.28 108.64 1bth n THR 128 Ca -0.03 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.98 1bth n THR 128 Cb 0.53 -0.46 0.00 0.00 -1.82 0.00 0.00 70.33 68.58 1bth n THR 128 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1bth n ALA 129 N 0.85 0.00 -0.26 2.41 0.00 -1.21 -1.38 120.51 120.92 1bth n ALA 129 Ca 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 53.44 53.38 1bth n ALA 129 Cb 0.05 0.00 0.05 0.00 0.00 0.00 0.00 19.45 19.55 1bth n ALA 129 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 1bth h SER 129 N 0.00 0.93 0.11 0.00 0.02 -1.66 -3.36 113.55 109.58 1bth h SER 129 Ca 0.00 -0.13 -0.37 0.00 -0.84 0.00 0.00 61.79 60.45 1bth h SER 129 Cb 0.00 -0.24 -0.04 0.00 0.14 0.00 0.00 62.40 62.26 1bth h SER 129 CO 0.00 0.81 -2.16 0.18 -1.14 0.00 0.00 176.83 174.51 1bth n LEU 129 N -4.43 2.44 -4.57 5.07 4.77 -0.48 -4.73 117.00 115.07 1bth n LEU 129 Ca 0.06 0.10 -0.37 0.00 -0.03 0.00 0.00 56.01 55.76 1bth n LEU 129 Cb 0.13 -0.84 -0.03 0.00 -2.33 0.00 0.00 43.42 40.36 1bth n LEU 129 CO 0.39 0.82 1.67 -0.76 -1.33 0.00 0.00 177.39 178.18 1bth s LEU 130 N -6.69 3.49 -0.01 2.23 1.43 -1.26 -4.81 118.68 113.07 1bth s LEU 130 Ca -0.24 -1.80 0.01 0.00 -1.03 0.00 0.00 54.13 51.06 1bth s LEU 130 Cb 0.07 -2.58 0.00 0.00 0.03 0.00 0.00 46.19 43.72 1bth s LEU 130 CO 0.72 -1.90 -0.02 -1.10 0.23 0.00 0.00 176.35 174.28 1bth s GLN 131 N 5.29 0.21 0.31 1.70 -0.21 -1.26 -4.85 119.66 120.84 1bth s GLN 131 Ca 0.58 -0.06 -0.29 0.00 0.02 0.00 0.00 55.36 55.61 1bth s GLN 131 Cb 0.01 -0.23 -0.13 0.00 1.00 0.00 0.00 33.01 33.66 1bth s GLN 131 CO 0.04 0.03 1.22 0.00 -2.12 0.00 0.00 175.29 174.45 1bth n ALA 132 N 3.18 0.75 0.00 6.09 0.00 -1.26 -0.56 120.51 128.72 1bth n ALA 132 Ca -0.15 0.38 0.00 0.00 0.00 0.00 0.00 53.44 53.67 1bth n ALA 132 Cb 0.58 -2.18 0.00 0.00 0.00 0.00 0.00 19.45 17.85 1bth n ALA 132 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1bth n GLY 133 N 1.13 3.07 3.75 0.00 0.00 -0.07 -4.94 105.19 108.12 1bth n GLY 133 Ca 0.07 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.69 1bth n GLY 133 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1bth s TYR 134 N -1.99 3.65 0.22 1.61 1.51 0.28 -4.65 117.35 117.98 1bth s TYR 134 Ca 0.00 1.69 -0.09 0.00 -1.01 0.00 0.00 57.07 57.65 1bth s TYR 134 Cb 0.00 -3.23 -0.07 0.00 -0.11 0.00 0.00 41.96 38.55 1bth s TYR 134 CO 0.00 -0.40 0.53 0.15 -1.11 0.00 0.00 175.55 174.72 1bth s LYS 135 N -0.85 3.80 0.30 -0.62 1.02 -1.26 -0.37 119.74 121.76 1bth s LYS 135 Ca 0.46 0.26 0.03 0.00 0.02 0.00 0.00 55.97 56.74 1bth s LYS 135 Cb -0.30 -2.68 -0.05 0.00 -0.52 0.00 0.00 37.83 34.28 1bth s LYS 135 CO 0.36 0.34 0.09 0.20 -0.92 0.00 0.00 175.35 175.42 1bth s GLY 136 N -2.32 1.96 -0.03 -3.33 0.00 0.80 -4.86 107.32 99.54 1bth s GLY 136 Ca 0.46 -1.89 0.07 0.00 0.00 0.00 0.00 44.72 43.36 1bth s GLY 136 CO 0.21 -1.70 -0.22 -1.60 0.00 0.00 0.00 173.10 169.79 1bth s ARG 137 N -3.94 2.24 -0.05 2.90 3.52 0.90 -0.13 118.95 124.39 1bth s ARG 137 Ca 0.36 -0.86 0.04 0.00 -0.13 0.00 0.00 55.73 55.15 1bth s ARG 137 Cb 0.08 -2.15 -0.00 0.00 -1.56 0.00 0.00 34.95 31.32 1bth s ARG 137 CO 0.15 0.58 -0.17 0.08 -0.81 0.00 0.00 175.30 175.12 1bth s VAL 138 N -0.65 1.47 0.12 7.11 1.01 0.73 -1.15 120.40 129.04 1bth s VAL 138 Ca 0.10 -0.73 0.06 0.00 0.00 0.00 0.00 61.98 61.42 1bth s VAL 138 Cb -0.10 -1.27 -0.04 0.00 0.00 0.00 0.00 36.38 34.97 1bth s VAL 138 CO -0.01 0.42 -0.15 0.42 0.00 0.00 0.00 175.10 175.79 1bth s THR 139 N 0.14 1.39 0.00 3.92 -4.23 -1.25 -0.63 115.64 114.98 1bth s THR 139 Ca -0.07 -1.66 0.00 0.00 -1.18 0.00 0.00 61.69 58.78 1bth s THR 139 Cb -0.13 -1.50 0.00 0.00 1.34 0.00 0.00 72.50 72.21 1bth s THR 139 CO 0.03 -0.34 0.00 0.61 -0.54 0.00 0.00 174.62 174.38 1bth n GLY 140 N 0.67 1.33 0.95 3.99 0.00 -1.00 -4.57 105.19 106.55 1bth n GLY 140 Ca -0.16 -0.93 0.08 0.00 0.00 0.00 0.00 46.02 45.01 1bth n GLY 140 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1bth n TRP 141 N -0.50 0.99 -1.07 1.61 8.01 -1.26 -1.22 117.44 124.00 1bth n TRP 141 Ca 0.00 -0.83 -0.30 0.00 -1.31 0.00 0.00 57.50 55.06 1bth n TRP 141 Cb 0.00 -0.30 0.24 0.00 -2.01 0.00 0.00 31.31 29.23 1bth n TRP 141 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 177.69 176.88 1bth s GLY 142 N -1.76 1.58 0.71 6.99 0.00 -1.26 -4.44 107.32 109.13 1bth s GLY 142 Ca 0.42 -0.88 -0.16 0.00 0.00 0.00 0.00 44.72 44.09 1bth s GLY 142 CO 0.10 -0.02 0.73 0.70 0.00 0.00 0.00 173.10 174.61 1bth n ASN 143 N -4.73 -0.42 0.03 1.64 3.02 0.83 -2.92 115.26 112.71 1bth n ASN 143 Ca 0.12 0.64 0.11 0.00 -0.03 0.00 0.00 54.58 55.43 1bth n ASN 143 Cb 0.59 -1.30 0.06 0.00 -0.61 0.00 0.00 39.78 38.53 1bth n ASN 143 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 1bth n LEU 144 N -0.82 0.63 -3.80 3.41 4.77 -0.71 -0.17 117.00 120.30 1bth n LEU 144 Ca 0.12 0.01 -0.10 0.00 -0.03 0.00 0.00 56.01 56.00 1bth n LEU 144 Cb 0.49 -0.12 -0.07 0.00 -2.33 0.00 0.00 43.42 41.39 1bth n LEU 144 CO 0.50 0.04 -0.04 -0.54 -1.33 0.00 0.00 177.39 176.02 1bth s LYS 145 N -3.17 0.80 0.08 3.23 -0.14 -1.26 -4.28 119.74 115.00 1bth s LYS 145 Ca 0.05 -0.68 -0.31 0.00 -1.36 0.00 0.00 55.97 53.67 1bth s LYS 145 Cb 0.14 0.34 -0.09 0.00 -1.68 0.00 0.00 37.83 36.54 1bth s LYS 145 CO 0.78 -0.25 1.72 -2.00 -0.76 0.00 0.00 175.35 174.84 1bth s GLU 146 N -2.98 4.18 -0.17 1.68 2.12 -1.26 -4.91 118.70 117.35 1bth s GLU 146 Ca -0.02 2.42 -0.14 0.00 0.36 0.00 0.00 54.97 57.60 1bth s GLU 146 Cb 0.01 -3.63 0.05 0.00 0.26 0.00 0.00 34.13 30.81 1bth s GLU 146 CO -0.06 -0.78 0.45 0.99 -0.54 0.00 0.00 175.26 175.31 1bth s THR 147 N 2.80 -0.01 -0.26 -1.70 2.01 -1.26 -4.91 115.64 112.31 1bth s THR 147 Ca 0.77 0.03 0.22 0.00 0.31 0.00 0.00 61.69 63.02 1bth s THR 147 Cb -0.42 -0.64 -0.26 0.00 0.01 0.00 0.00 72.50 71.20 1bth s THR 147 CO 0.34 0.01 0.67 0.79 -0.69 0.00 0.00 174.62 175.74 1bth n TRP 148 N 3.34 0.14 -2.63 4.92 8.01 -1.26 -5.00 117.44 124.96 1bth n TRP 148 Ca -0.17 0.04 -0.37 0.00 -1.31 0.00 0.00 57.50 55.69 1bth n TRP 148 Cb 0.56 -0.47 -0.05 0.00 -2.01 0.00 0.00 31.31 29.34 1bth n TRP 148 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 177.69 177.67 1bth s THR 149 N -3.39 3.88 0.33 -0.99 2.01 -1.26 -5.28 115.64 110.95 1bth s THR 149 Ca -0.03 1.52 0.10 0.00 0.31 0.00 0.00 61.69 63.58 1bth s THR 149 Cb 0.14 -3.83 -0.06 0.00 0.01 0.00 0.00 72.50 68.76 1bth s THR 149 CO 0.88 0.09 -0.08 0.21 -0.69 0.00 0.00 174.62 175.03 1bth s ASN 149 N -1.52 3.86 0.52 3.53 3.84 -1.26 -5.02 114.94 118.88 1bth s ASN 149 Ca 0.54 -1.11 0.34 0.00 0.21 0.00 0.00 52.86 52.84 1bth s ASN 149 Cb -0.22 -0.40 1.58 0.00 -0.55 0.00 0.00 41.25 41.65 1bth s ASN 149 CO 0.27 -0.18 2.02 -0.37 -2.79 0.00 0.00 177.10 176.05 1bth h VAL 149 N 1.99 0.00 -4.18 -5.21 -1.51 -2.02 -3.44 116.25 101.88 1bth h VAL 149 Ca -0.42 -0.29 -0.44 0.00 -1.23 0.00 0.00 66.70 64.31 1bth h VAL 149 Cb 1.25 1.21 0.16 0.00 -2.13 0.00 0.00 31.29 31.78 1bth h VAL 149 CO 0.68 0.00 0.37 0.61 -1.23 0.00 0.00 177.57 178.00 1bth n GLY 149 N -0.37 -1.13 0.34 5.19 0.00 -1.26 -4.93 105.19 103.03 1bth n GLY 149 Ca -0.00 -1.77 0.19 0.00 0.00 0.00 0.00 46.02 44.44 1bth n GLY 149 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1bth h LYS 149 N 0.00 0.00 0.00 1.61 1.79 -2.02 -3.47 116.57 114.49 1bth h LYS 149 Ca -0.42 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.05 1bth h LYS 149 Cb 1.21 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.86 1bth h LYS 149 CO 0.32 0.00 0.00 0.41 -1.08 0.00 0.00 179.45 179.10 1bth n GLY 150 N -1.21 1.44 3.77 3.86 0.00 -1.26 -4.92 105.19 106.87 1bth n GLY 150 Ca -0.01 -0.41 -0.26 0.00 0.00 0.00 0.00 46.02 45.33 1bth n GLY 150 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1bth s GLN 151 N 0.00 2.80 0.56 1.61 -0.21 -1.26 -1.74 119.66 121.41 1bth s GLN 151 Ca 0.00 -0.93 -0.16 0.00 0.02 0.00 0.00 55.36 54.30 1bth s GLN 151 Cb 0.00 -2.58 -0.06 0.00 1.00 0.00 0.00 33.01 31.37 1bth s GLN 151 CO 0.00 0.48 1.02 -1.25 -2.12 0.00 0.00 175.29 173.42 1bth s PRO 152 N -3.10 3.64 -0.04 2.91 0.04 -1.26 -4.95 135.00 132.25 1bth s PRO 152 Ca 0.30 1.06 0.08 0.00 0.04 0.00 0.00 61.00 62.48 1bth s PRO 152 Cb -0.10 -2.09 -0.24 0.00 0.04 0.00 0.00 34.50 32.12 1bth s PRO 152 CO 0.22 -0.53 0.69 0.66 0.04 0.00 0.00 177.00 178.08 1bth h SER 153 N 0.64 0.10 -4.05 6.66 4.64 -1.96 -3.43 113.55 116.16 1bth h SER 153 Ca -0.47 -0.20 -0.40 0.00 -0.47 0.00 0.00 61.79 60.25 1bth h SER 153 Cb 1.20 -0.03 -0.18 0.00 -0.31 0.00 0.00 62.40 63.08 1bth h SER 153 CO 0.60 1.18 -0.75 0.68 -0.87 0.00 0.00 176.83 177.66 1bth s VAL 154 N -2.60 1.30 0.11 0.95 -7.23 -1.26 -0.15 120.40 111.51 1bth s VAL 154 Ca -0.07 -1.74 -0.35 0.00 -1.81 0.00 0.00 61.98 58.00 1bth s VAL 154 Cb 0.08 -1.55 -0.17 0.00 0.56 0.00 0.00 36.38 35.30 1bth s VAL 154 CO 0.82 -0.45 1.20 -0.11 -0.31 0.00 0.00 175.10 176.24 1bth n LEU 155 N 0.47 1.21 -5.01 1.32 7.94 0.85 -4.81 117.00 118.97 1bth n LEU 155 Ca -0.15 1.13 -0.17 0.00 -1.11 0.00 0.00 56.01 55.71 1bth n LEU 155 Cb 0.57 -1.15 0.01 0.00 0.53 0.00 0.00 43.42 43.39 1bth n LEU 155 CO 0.27 -1.36 0.16 -1.10 -1.11 0.00 0.00 177.39 174.26 1bth s GLN 156 N 0.04 2.80 -0.16 1.96 -1.52 -0.35 -0.98 119.66 121.44 1bth s GLN 156 Ca 0.81 -1.27 -0.13 0.00 -1.95 0.00 0.00 55.36 52.82 1bth s GLN 156 Cb -0.97 -2.75 0.05 0.00 -0.22 0.00 0.00 33.01 29.12 1bth s GLN 156 CO 0.51 -0.31 0.42 0.54 -0.25 0.00 0.00 175.29 176.20 1bth s VAL 157 N -2.37 -0.01 0.01 1.09 0.11 0.42 -2.38 120.40 117.27 1bth s VAL 157 Ca 0.55 0.02 0.01 0.00 -2.93 0.00 0.00 61.98 59.64 1bth s VAL 157 Cb -0.10 -0.60 -0.01 0.00 -1.53 0.00 0.00 36.38 34.14 1bth s VAL 157 CO 0.33 0.01 -0.04 0.54 -3.33 0.00 0.00 175.10 172.61 1bth s VAL 158 N 0.50 0.28 -0.21 2.04 0.11 0.19 -1.34 120.40 121.96 1bth s VAL 158 Ca -0.02 -0.56 -0.03 0.00 -2.93 0.00 0.00 61.98 58.44 1bth s VAL 158 Cb -0.04 -0.32 -0.01 0.00 -1.53 0.00 0.00 36.38 34.49 1bth s VAL 158 CO -0.03 -0.19 -0.06 0.20 -3.33 0.00 0.00 175.10 171.69 1bth s ASN 159 N -0.79 4.15 0.06 3.54 0.01 -1.26 -0.19 114.94 120.45 1bth s ASN 159 Ca -0.06 -0.42 0.07 0.00 -0.71 0.00 0.00 52.86 51.74 1bth s ASN 159 Cb -0.06 -1.70 -0.03 0.00 0.41 0.00 0.00 41.25 39.87 1bth s ASN 159 CO -0.00 -0.01 -0.18 -0.76 -1.51 0.00 0.00 177.10 174.63 1bth s LEU 160 N 1.43 2.20 0.14 0.60 1.43 0.82 -4.88 118.68 120.42 1bth s LEU 160 Ca 0.05 -0.54 -0.17 0.00 -1.03 0.00 0.00 54.13 52.44 1bth s LEU 160 Cb -0.14 -0.81 -0.07 0.00 0.03 0.00 0.00 46.19 45.19 1bth s LEU 160 CO -0.04 0.09 0.60 -2.16 0.23 0.00 0.00 176.35 175.06 1bth s PRO 161 N -1.35 4.12 0.41 1.29 0.04 -1.26 -0.14 135.00 138.11 1bth s PRO 161 Ca 0.05 0.67 -0.25 0.00 0.04 0.00 0.00 61.00 61.50 1bth s PRO 161 Cb -0.09 -3.03 -0.08 0.00 0.04 0.00 0.00 34.50 31.34 1bth s PRO 161 CO 0.02 0.52 1.25 0.42 0.04 0.00 0.00 177.00 179.25 1bth s ILE 162 N -1.35 2.81 0.11 0.56 1.01 0.50 -0.30 121.20 124.54 1bth s ILE 162 Ca 0.36 0.70 0.07 0.00 0.00 0.00 0.00 60.65 61.77 1bth s ILE 162 Cb -0.17 -3.40 -0.04 0.00 0.01 0.00 0.00 42.46 38.86 1bth s ILE 162 CO 0.20 0.08 -0.07 -0.69 0.00 0.00 0.00 174.94 174.45 1bth s VAL 163 N -1.33 3.50 0.23 2.92 1.01 -0.77 -0.89 120.40 125.06 1bth s VAL 163 Ca 0.58 -1.27 -0.32 0.00 0.00 0.00 0.00 61.98 60.98 1bth s VAL 163 Cb -0.35 -2.66 -0.12 0.00 0.00 0.00 0.00 36.38 33.25 1bth s VAL 163 CO 0.44 0.07 1.67 -0.62 0.00 0.00 0.00 175.10 176.67 1bth n GLU 164 N 0.55 2.70 -0.33 2.72 4.71 -1.26 -4.70 120.64 125.02 1bth n GLU 164 Ca -0.12 0.97 0.24 0.00 -0.01 0.00 0.00 57.16 58.24 1bth n GLU 164 Cb 0.53 -2.79 0.48 0.00 -1.01 0.00 0.00 31.44 28.64 1bth n GLU 164 CO 0.00 0.00 0.00 -0.09 0.09 0.00 0.00 177.13 177.13 1bth h ARG 165 N 6.13 0.26 -0.29 3.49 2.43 -1.98 0.15 114.38 124.57 1bth h ARG 165 Ca -0.44 -0.02 -0.15 0.00 -0.81 0.00 0.00 59.98 58.57 1bth h ARG 165 Cb 1.21 -0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 30.69 1bth h ARG 165 CO 0.90 0.17 -0.41 -1.35 -1.51 0.00 0.00 179.97 177.78 1bth h PRO 166 N 0.27 0.71 -0.46 0.20 0.11 -1.98 -0.23 132.00 130.62 1bth h PRO 166 Ca 0.74 -0.38 -0.08 0.00 0.11 0.00 0.00 66.00 66.40 1bth h PRO 166 Cb 1.72 0.01 -0.02 0.00 0.11 0.00 0.00 31.00 32.82 1bth h PRO 166 CO -0.63 0.99 -0.03 0.28 -0.21 0.00 0.00 178.00 178.39 1bth h VAL 167 N 0.58 1.25 0.05 3.15 2.07 -1.38 -0.12 116.25 121.85 1bth h VAL 167 Ca 0.05 -1.05 -0.00 0.00 0.82 0.00 0.00 66.70 66.52 1bth h VAL 167 Cb 0.95 0.93 0.00 0.00 -1.52 0.00 0.00 31.29 31.65 1bth h VAL 167 CO 0.09 0.36 -0.02 0.00 0.02 0.00 0.00 177.57 178.02 1bth h LYS 169 N -0.27 0.00 -0.18 0.00 3.64 -0.67 -1.63 116.57 117.46 1bth h LYS 169 Ca -0.01 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.37 1bth h LYS 169 Cb 0.24 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.06 1bth h LYS 169 CO 0.01 0.00 0.00 -0.25 -2.27 0.00 0.00 179.45 176.94 1bth n ASP 170 N -4.44 2.91 0.06 4.20 8.00 -0.09 -4.15 116.55 123.04 1bth n ASP 170 Ca 0.00 -1.92 0.11 0.00 0.71 0.00 0.00 54.79 53.69 1bth n ASP 170 Cb 0.22 -0.11 0.03 0.00 -0.02 0.00 0.00 41.12 41.25 1bth n ASP 170 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 1bth n SER 171 N 1.20 0.66 -4.06 -2.24 3.41 -0.61 -4.95 113.62 107.02 1bth n SER 171 Ca 0.17 0.06 -0.08 0.00 -0.26 0.00 0.00 58.87 58.77 1bth n SER 171 Cb 0.55 0.64 -0.10 0.00 -0.26 0.00 0.00 64.21 65.04 1bth n SER 171 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 1bth s THR 172 N -3.27 0.19 -0.52 6.66 -1.32 -1.24 -4.85 115.64 111.29 1bth s THR 172 Ca 0.02 -1.58 0.24 0.00 -1.21 0.00 0.00 61.69 59.15 1bth s THR 172 Cb 0.12 -1.22 0.02 0.00 -1.51 0.00 0.00 72.50 69.92 1bth s THR 172 CO 0.79 -0.87 1.22 0.03 -2.21 0.00 0.00 174.62 173.58 1bth h ARG 173 N 3.48 0.00 -6.42 7.08 3.08 -1.93 -3.46 114.38 116.21 1bth h ARG 173 Ca -0.34 0.00 -0.54 0.00 0.07 0.00 0.00 59.98 59.18 1bth h ARG 173 Cb 1.16 0.00 0.01 0.00 0.08 0.00 0.00 29.97 31.21 1bth h ARG 173 CO 0.60 0.00 0.80 0.42 -1.07 0.00 0.00 179.97 180.72 1bth s ILE 174 N -3.22 3.60 -0.46 2.04 1.01 -1.26 -4.91 121.20 118.00 1bth s ILE 174 Ca 0.04 1.05 -0.27 0.00 0.00 0.00 0.00 60.65 61.47 1bth s ILE 174 Cb 0.12 -3.67 -0.03 0.00 0.01 0.00 0.00 42.46 38.89 1bth s ILE 174 CO 0.75 0.02 2.00 -0.13 0.00 0.00 0.00 174.94 177.57 1bth s ARG 175 N 2.05 2.77 0.70 2.79 1.81 -1.26 -4.96 118.95 122.85 1bth s ARG 175 Ca 0.64 1.17 -0.11 0.00 -1.72 0.00 0.00 55.73 55.72 1bth s ARG 175 Cb -0.33 -4.37 0.01 0.00 -0.45 0.00 0.00 34.95 29.81 1bth s ARG 175 CO 0.28 -2.53 1.06 0.96 -0.68 0.00 0.00 175.30 174.39 1bth s ILE 176 N 9.03 3.96 0.34 1.52 -4.36 -1.26 -4.92 121.20 125.51 1bth s ILE 176 Ca 0.81 0.64 0.03 0.00 -0.26 0.00 0.00 60.65 61.87 1bth s ILE 176 Cb -0.19 -3.43 -0.05 0.00 1.25 0.00 0.00 42.46 40.05 1bth s ILE 176 CO 0.27 -0.83 0.09 0.42 0.24 0.00 0.00 174.94 175.13 1bth s THR 177 N -3.10 0.86 -0.25 8.37 -4.23 -1.26 -5.03 115.64 111.00 1bth s THR 177 Ca 0.58 -2.00 0.23 0.00 -1.18 0.00 0.00 61.69 59.32 1bth s THR 177 Cb -0.13 -2.62 0.23 0.00 1.34 0.00 0.00 72.50 71.32 1bth s THR 177 CO 0.55 0.00 1.69 0.47 -0.54 0.00 0.00 174.62 176.79 1bth n ASP 178 N -0.84 0.61 -1.29 3.99 8.00 -1.26 -2.15 116.55 123.61 1bth n ASP 178 Ca -0.03 0.74 0.05 0.00 0.71 0.00 0.00 54.79 56.27 1bth n ASP 178 Cb 0.66 -0.84 0.25 0.00 -0.02 0.00 0.00 41.12 41.17 1bth n ASP 178 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 1bth n ASN 179 N -2.28 3.75 -3.87 -2.24 3.02 -1.26 -4.85 115.26 107.52 1bth n ASN 179 Ca -0.01 -2.47 -0.10 0.00 -0.03 0.00 0.00 54.58 51.98 1bth n ASN 179 Cb 0.09 -0.56 -0.08 0.00 -0.61 0.00 0.00 39.78 38.62 1bth n ASN 179 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1bth s MET 180 N -1.97 0.71 0.06 3.52 0.23 -0.91 0.23 119.30 121.17 1bth s MET 180 Ca 0.35 -0.77 -0.03 0.00 -1.03 0.00 0.00 55.69 54.20 1bth s MET 180 Cb 0.25 0.29 -0.03 0.00 -1.53 0.00 0.00 34.83 33.81 1bth s MET 180 CO 0.13 -0.21 0.04 -0.59 -2.03 0.00 0.00 175.02 172.36 1bth s PHE 181 N -3.01 0.40 0.15 3.16 -0.12 -0.01 -4.78 117.98 113.77 1bth s PHE 181 Ca -0.02 -0.91 0.11 0.00 -0.05 0.00 0.00 56.93 56.06 1bth s PHE 181 Cb 0.01 -0.29 -0.04 0.00 -0.63 0.00 0.00 43.02 42.07 1bth s PHE 181 CO -0.06 -0.43 -0.25 0.00 -0.05 0.00 0.00 175.22 174.43 1bth s ALA 183 N -1.23 0.60 0.00 0.00 0.00 -0.84 -1.85 121.76 118.44 1bth s ALA 183 Ca 0.16 -1.17 0.00 0.00 0.00 0.00 0.00 51.96 50.95 1bth s ALA 183 Cb -0.09 0.22 0.00 0.00 0.00 0.00 0.00 23.12 23.25 1bth s ALA 183 CO 0.07 -0.30 0.00 0.41 0.00 0.00 0.00 175.76 175.94 1bth n GLY 184 N 0.26 3.78 3.87 0.00 0.00 0.58 -3.02 105.19 110.66 1bth n GLY 184 Ca -0.15 -1.50 -0.32 0.00 0.00 0.00 0.00 46.02 44.05 1bth n GLY 184 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1bth s TYR 184 N -2.00 3.41 0.58 1.61 2.02 -1.26 -4.43 117.35 117.27 1bth s TYR 184 Ca 0.00 0.98 -0.13 0.00 -0.37 0.00 0.00 57.07 57.55 1bth s TYR 184 Cb 0.00 -2.34 -0.05 0.00 -0.40 0.00 0.00 41.96 39.16 1bth s TYR 184 CO 0.00 0.21 1.01 0.15 -1.57 0.00 0.00 175.55 175.35 1bth s LYS 185 N -2.87 3.73 0.50 -0.62 1.02 -1.26 -4.76 119.74 115.48 1bth s LYS 185 Ca 0.49 0.82 0.22 0.00 0.02 0.00 0.00 55.97 57.52 1bth s LYS 185 Cb -0.11 -2.11 1.29 0.00 -0.52 0.00 0.00 37.83 36.39 1bth s LYS 185 CO 0.20 -0.45 1.98 -1.35 -0.92 0.00 0.00 175.35 174.81 1bth h PRO 186 N 0.16 0.12 0.00 -1.68 0.11 -1.94 -2.83 132.00 125.93 1bth h PRO 186 Ca -0.45 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.65 1bth h PRO 186 Cb 1.19 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.27 1bth h PRO 186 CO 0.62 0.08 -0.60 -0.40 -0.21 0.00 0.00 178.00 177.49 1bth n ASP 186 N -4.41 0.58 0.00 -2.05 5.75 -1.26 -4.21 116.55 110.95 1bth n ASP 186 Ca 0.11 -0.34 0.08 0.00 -0.01 0.00 0.00 54.79 54.62 1bth n ASP 186 Cb 0.57 0.38 0.44 0.00 -1.03 0.00 0.00 41.12 41.48 1bth n ASP 186 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 1bth n GLU 186 N -1.54 0.37 -2.87 0.11 1.02 -1.07 -4.87 120.64 111.79 1bth n GLU 186 Ca 0.05 0.07 -0.21 0.00 -0.02 0.00 0.00 57.16 57.05 1bth n GLU 186 Cb 0.34 -1.50 0.03 0.00 -0.02 0.00 0.00 31.44 30.29 1bth n GLU 186 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1bth n GLY 186 N 0.03 -0.45 3.28 0.62 0.00 -1.26 -4.99 105.19 102.43 1bth n GLY 186 Ca 0.10 0.05 -0.13 0.00 0.00 0.00 0.00 46.02 46.04 1bth n GLY 186 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1bth s LYS 186 N -5.52 0.58 0.34 1.61 1.02 -1.26 -5.17 119.74 111.33 1bth s LYS 186 Ca 0.24 0.26 0.02 0.00 0.02 0.00 0.00 55.97 56.50 1bth s LYS 186 Cb -0.10 0.27 -0.01 0.00 -0.52 0.00 0.00 37.83 37.47 1bth s LYS 186 CO 0.29 -0.12 0.06 0.54 -0.92 0.00 0.00 175.35 175.21 1bth n ARG 187 N 2.16 0.85 0.00 1.68 1.74 -1.26 -4.65 116.66 117.18 1bth n ARG 187 Ca -0.17 -2.67 0.00 0.00 -0.77 0.00 0.00 57.85 54.24 1bth n ARG 187 Cb 0.57 1.11 0.00 0.00 -1.02 0.00 0.00 32.46 33.12 1bth n ARG 187 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1bth n GLY 188 N 0.20 4.65 3.62 -0.13 0.00 -1.25 -4.88 105.19 107.40 1bth n GLY 188 Ca -0.09 -1.20 -0.01 0.00 0.00 0.00 0.00 46.02 44.72 1bth n GLY 188 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1bth s ASP 189 N 0.00 -0.09 0.39 1.61 2.15 -0.02 -4.74 116.67 115.98 1bth s ASP 189 Ca 0.00 -0.11 -0.05 0.00 0.43 0.00 0.00 52.55 52.82 1bth s ASP 189 Cb 0.00 0.18 -0.05 0.00 -0.30 0.00 0.00 42.92 42.75 1bth s ASP 189 CO 0.00 -0.32 0.68 0.00 -0.17 0.00 0.00 175.17 175.36 1bth s ALA 190 N -2.49 3.50 0.06 3.66 0.00 -1.26 -0.09 121.76 125.15 1bth s ALA 190 Ca 0.12 -0.53 0.01 0.00 0.00 0.00 0.00 51.96 51.57 1bth s ALA 190 Cb 0.03 -2.46 -0.00 0.00 0.00 0.00 0.00 23.12 20.69 1bth s ALA 190 CO -0.04 -0.07 0.06 0.00 0.00 0.00 0.00 175.76 175.70 1bth n GLN 192 N -0.11 2.31 0.00 0.00 3.00 -1.26 -1.33 117.38 119.99 1bth n GLN 192 Ca 0.01 0.85 0.00 0.00 -0.01 0.00 0.00 57.00 57.85 1bth n GLN 192 Cb 0.11 -2.71 0.00 0.00 0.00 0.00 0.00 30.24 27.64 1bth n GLN 192 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1bth n GLY 193 N 4.34 1.09 0.02 1.08 0.00 -1.26 -0.12 105.19 110.34 1bth n GLY 193 Ca 0.22 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.35 1bth n GLY 193 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1bth n ASP 194 N 0.00 0.63 -4.46 1.61 8.00 -0.44 -3.75 116.55 118.15 1bth n ASP 194 Ca 0.00 -0.28 -0.38 0.00 0.71 0.00 0.00 54.79 54.85 1bth n ASP 194 Cb 0.00 0.58 0.04 0.00 -0.02 0.00 0.00 41.12 41.72 1bth n ASP 194 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 1bth n SER 195 N -1.79 -1.18 0.00 -2.24 7.64 -1.26 -1.19 113.62 113.60 1bth n SER 195 Ca 0.03 0.71 0.00 0.00 1.01 0.00 0.00 58.87 60.62 1bth n SER 195 Cb 0.39 -1.17 0.00 0.00 -1.01 0.00 0.00 64.21 62.43 1bth n SER 195 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1bth n GLY 196 N 1.80 2.15 3.72 0.23 0.00 -0.67 0.17 105.19 112.59 1bth n GLY 196 Ca 0.11 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.83 1bth n GLY 196 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1bth s GLY 197 N -1.45 1.65 0.34 -0.02 0.00 -0.33 -3.50 107.32 104.00 1bth s GLY 197 Ca 0.00 0.14 -0.17 0.00 0.00 0.00 0.00 44.72 44.69 1bth s GLY 197 CO 0.00 0.57 0.79 2.56 0.00 0.00 0.00 173.10 177.02 1bth s PRO 198 N -4.87 4.10 -0.33 2.90 0.05 -1.26 -0.38 135.00 135.20 1bth s PRO 198 Ca 0.63 0.81 0.03 0.00 0.05 0.00 0.00 61.00 62.53 1bth s PRO 198 Cb -0.18 -2.44 0.09 0.00 0.05 0.00 0.00 34.50 32.02 1bth s PRO 198 CO 0.57 0.14 0.04 0.12 0.05 0.00 0.00 177.00 177.92 1bth s PHE 199 N -1.97 3.68 0.34 0.56 2.19 0.11 -3.77 117.98 119.13 1bth s PHE 199 Ca 0.55 -2.86 0.08 0.00 0.33 0.00 0.00 56.93 55.02 1bth s PHE 199 Cb -0.11 -2.80 -0.03 0.00 -1.31 0.00 0.00 43.02 38.78 1bth s PHE 199 CO 0.17 -0.94 0.28 0.14 1.83 0.00 0.00 175.22 176.70 1bth s VAL 200 N 0.95 3.48 -0.05 3.12 -7.23 -0.30 -0.44 120.40 119.92 1bth s VAL 200 Ca 0.08 -1.40 -0.04 0.00 -1.81 0.00 0.00 61.98 58.80 1bth s VAL 200 Cb -0.19 -3.16 0.01 0.00 0.56 0.00 0.00 36.38 33.60 1bth s VAL 200 CO -0.07 -0.17 0.13 -0.04 -0.31 0.00 0.00 175.10 174.63 1bth s MET 201 N -3.98 0.15 -0.20 4.82 -1.94 -0.03 -0.07 119.30 118.05 1bth s MET 201 Ca 0.41 0.19 -0.14 0.00 -1.71 0.00 0.00 55.69 54.44 1bth s MET 201 Cb -0.05 0.06 -0.04 0.00 2.01 0.00 0.00 34.83 36.80 1bth s MET 201 CO 0.26 -0.02 0.30 0.21 -0.01 0.00 0.00 175.02 175.75 1bth s LYS 202 N 0.12 4.17 -0.08 2.03 2.20 -1.26 -0.82 119.74 126.09 1bth s LYS 202 Ca -0.00 0.04 -0.30 0.00 -0.36 0.00 0.00 55.97 55.34 1bth s LYS 202 Cb -0.01 -3.50 -0.03 0.00 -1.51 0.00 0.00 37.83 32.77 1bth s LYS 202 CO -0.00 0.08 1.33 0.45 -0.36 0.00 0.00 175.35 176.84 1bth s SER 203 N 0.85 6.92 0.00 1.43 0.15 -0.15 -4.89 113.70 118.01 1bth s SER 203 Ca 0.15 1.89 0.20 0.00 0.70 0.00 0.00 55.95 58.89 1bth s SER 203 Cb -0.14 -2.55 1.19 0.00 -1.71 0.00 0.00 66.02 62.81 1bth s SER 203 CO 0.05 -0.72 1.66 -0.81 1.20 0.00 0.00 173.24 174.62 1bth n PRO 204 N 5.99 0.83 -0.06 5.44 -0.04 -1.26 -0.94 135.00 144.97 1bth n PRO 204 Ca 0.13 0.00 -0.07 0.00 -0.04 0.00 0.00 63.50 63.52 1bth n PRO 204 Cb 0.45 -1.37 -0.07 0.00 -0.04 0.00 0.00 33.50 32.46 1bth n PRO 204 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 1bth n PHE 204 N -0.87 0.00 -0.08 0.54 3.72 -1.26 -4.78 117.46 114.72 1bth n PHE 204 Ca 0.15 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.55 1bth n PHE 204 Cb 0.07 -0.50 0.00 0.00 -0.94 0.00 0.00 39.48 38.11 1bth n PHE 204 CO 0.00 0.00 0.00 0.27 -0.05 0.00 0.00 176.76 176.98 1bth n ASN 204 N -2.66 0.92 0.00 4.37 0.23 -1.21 -5.01 115.26 111.89 1bth n ASN 204 Ca -0.20 -1.01 0.00 0.00 -0.53 0.00 0.00 54.58 52.84 1bth n ASN 204 Cb 0.78 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.48 1bth n ASN 204 CO 0.00 0.00 0.00 -3.20 -0.93 0.00 0.00 177.26 173.13 1bth n ASN 205 N -0.00 -1.01 -4.88 0.53 5.15 -0.11 -4.99 115.26 109.94 1bth n ASN 205 Ca 0.00 0.00 -0.33 0.00 -0.60 0.00 0.00 54.58 53.65 1bth n ASN 205 Cb 0.02 -1.05 -0.05 0.00 -0.53 0.00 0.00 39.78 38.17 1bth n ASN 205 CO 0.00 0.00 0.00 -0.13 1.40 0.00 0.00 177.26 178.53 1bth s ARG 206 N -0.44 3.69 -0.05 1.20 0.52 -1.26 -4.76 118.95 117.85 1bth s ARG 206 Ca 0.00 0.04 -0.18 0.00 -0.52 0.00 0.00 55.73 55.07 1bth s ARG 206 Cb 0.00 -2.88 -0.05 0.00 0.52 0.00 0.00 34.95 32.54 1bth s ARG 206 CO 0.00 0.48 0.49 -1.58 0.02 0.00 0.00 175.30 174.71 1bth s TRP 207 N -1.58 3.62 0.11 -0.53 0.52 -1.26 -0.98 118.94 118.84 1bth s TRP 207 Ca 0.39 1.01 0.11 0.00 0.02 0.00 0.00 56.10 57.62 1bth s TRP 207 Cb -0.13 -2.49 -0.04 0.00 -1.15 0.00 0.00 33.47 29.66 1bth s TRP 207 CO 0.22 0.35 -0.27 0.71 0.02 0.00 0.00 176.95 177.99 1bth s TYR 208 N -0.09 2.28 -0.39 -1.98 1.51 -0.00 -2.22 117.35 116.45 1bth s TYR 208 Ca 0.27 -0.39 -0.15 0.00 -1.01 0.00 0.00 57.07 55.79 1bth s TYR 208 Cb -0.16 -1.26 0.01 0.00 -0.11 0.00 0.00 41.96 40.43 1bth s TYR 208 CO 0.13 0.29 0.29 -1.14 -1.11 0.00 0.00 175.55 174.02 1bth s GLN 209 N -1.90 3.15 -0.13 -0.62 0.74 -0.28 -0.85 119.66 119.78 1bth s GLN 209 Ca 0.13 -0.87 0.10 0.00 0.05 0.00 0.00 55.36 54.77 1bth s GLN 209 Cb -0.10 -3.92 -0.23 0.00 1.10 0.00 0.00 33.01 29.85 1bth s GLN 209 CO 0.05 -0.66 0.33 -1.33 -0.55 0.00 0.00 175.29 173.13 1bth n MET 210 N 5.18 0.67 -4.23 1.67 2.81 0.42 -4.28 117.12 119.36 1bth n MET 210 Ca -0.11 0.18 -0.13 0.00 -1.81 0.00 0.00 57.70 55.82 1bth n MET 210 Cb 0.48 -1.66 -0.10 0.00 -0.71 0.00 0.00 33.22 31.22 1bth n MET 210 CO 0.00 0.00 0.00 0.20 1.51 0.00 0.00 175.97 177.68 1bth s GLY 211 N -5.46 1.52 -0.09 3.03 0.00 -0.71 -1.32 107.32 104.29 1bth s GLY 211 Ca -0.12 -1.75 0.02 0.00 0.00 0.00 0.00 44.72 42.86 1bth s GLY 211 CO 0.79 -1.46 -0.13 -0.42 0.00 0.00 0.00 173.10 171.89 1bth s ILE 212 N -4.04 1.29 0.19 0.90 1.01 -1.15 -0.71 121.20 118.69 1bth s ILE 212 Ca 0.39 -0.53 -0.33 0.00 0.00 0.00 0.00 60.65 60.18 1bth s ILE 212 Cb 0.07 -1.20 -0.14 0.00 0.01 0.00 0.00 42.46 41.20 1bth s ILE 212 CO 0.12 0.40 1.44 0.52 0.00 0.00 0.00 174.94 177.42 1bth n VAL 213 N 4.15 0.50 0.00 2.92 0.31 0.49 -1.76 118.33 124.94 1bth n VAL 213 Ca -0.19 -0.12 0.00 0.00 -0.01 0.00 0.00 64.34 64.01 1bth n VAL 213 Cb 0.51 -1.37 0.00 0.00 -0.91 0.00 0.00 33.84 32.07 1bth n VAL 213 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 1bth n SER 214 N 2.64 0.00 -4.02 4.52 2.88 -0.73 -1.67 113.62 117.24 1bth n SER 214 Ca 0.15 0.00 -0.10 0.00 -1.33 0.00 0.00 58.87 57.59 1bth n SER 214 Cb 0.28 0.00 -0.06 0.00 -0.75 0.00 0.00 64.21 63.68 1bth n SER 214 CO 0.00 0.00 0.00 -1.66 -1.23 0.00 0.00 175.04 172.15 1bth s TRP 215 N -0.83 0.50 -0.06 0.66 1.48 -0.96 -4.88 118.94 114.85 1bth s TRP 215 Ca 0.00 -0.84 -0.31 0.00 -1.06 0.00 0.00 56.10 53.89 1bth s TRP 215 Cb 0.00 0.01 0.11 0.00 -1.16 0.00 0.00 33.47 32.43 1bth s TRP 215 CO 0.00 -0.87 1.08 0.20 -4.06 0.00 0.00 176.95 173.30 1bth s GLY 216 N -3.03 -0.36 -0.53 3.67 0.00 -1.26 -0.40 107.32 105.41 1bth s GLY 216 Ca 0.24 1.09 -0.16 0.00 0.00 0.00 0.00 44.72 45.89 1bth s GLY 216 CO 0.07 0.34 0.48 -0.54 0.00 0.00 0.00 173.10 173.45 1bth s GLU 217 N -2.77 2.98 1.95 2.90 2.02 -1.26 -4.92 118.70 119.59 1bth s GLU 217 Ca 0.09 -1.64 0.00 0.00 0.02 0.00 0.00 54.97 53.44 1bth s GLU 217 Cb -0.00 -4.26 0.00 0.00 0.10 0.00 0.00 34.13 29.97 1bth s GLU 217 CO -0.05 -1.27 0.00 0.41 0.02 0.00 0.00 175.26 174.37 1bth n GLY 219 N 5.23 -1.28 2.91 -1.39 0.00 -1.26 -4.70 105.19 104.70 1bth n GLY 219 Ca -0.14 -1.36 -0.15 0.00 0.00 0.00 0.00 46.02 44.38 1bth n GLY 219 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1bth n ASP 221 N 5.34 -4.11 -4.83 0.00 2.03 -1.26 -4.58 116.55 109.14 1bth n ASP 221 Ca -0.06 -0.34 -0.38 0.00 0.52 0.00 0.00 54.79 54.53 1bth n ASP 221 Cb 0.50 -3.29 -0.06 0.00 -0.72 0.00 0.00 41.12 37.55 1bth n ASP 221 CO 0.00 0.00 0.00 -0.13 -1.92 0.00 0.00 177.20 175.15 1bth s ARG 221 N -5.59 3.92 0.15 -0.67 0.52 -1.26 -4.97 118.95 111.04 1bth s ARG 221 Ca 0.28 0.36 -0.31 0.00 -0.52 0.00 0.00 55.73 55.54 1bth s ARG 221 Cb -0.12 -3.24 -0.09 0.00 0.52 0.00 0.00 34.95 32.02 1bth s ARG 221 CO 0.45 0.65 1.46 -0.51 0.02 0.00 0.00 175.30 177.36 1bth s ASP 222 N -0.91 6.73 0.00 0.23 1.01 -1.26 -1.95 116.67 120.51 1bth s ASP 222 Ca 0.23 2.47 0.00 0.00 0.71 0.00 0.00 52.55 55.95 1bth s ASP 222 Cb -0.16 -2.59 0.00 0.00 1.01 0.00 0.00 42.92 41.18 1bth s ASP 222 CO 0.12 -0.71 0.00 0.61 0.21 0.00 0.00 175.17 175.40 1bth n GLY 223 N 3.43 0.81 3.60 0.21 0.00 -1.26 -5.00 105.19 106.97 1bth n GLY 223 Ca 0.12 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.89 1bth n GLY 223 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1bth s LYS 224 N -0.35 2.13 0.02 1.61 -0.14 -0.82 -4.79 119.74 117.40 1bth s LYS 224 Ca 0.00 -1.39 -0.07 0.00 -1.36 0.00 0.00 55.97 53.14 1bth s LYS 224 Cb 0.00 -2.12 -0.00 0.00 -1.68 0.00 0.00 37.83 34.03 1bth s LYS 224 CO 0.00 0.39 0.14 0.71 -0.76 0.00 0.00 175.35 175.83 1bth s TYR 225 N -2.09 0.08 0.05 3.18 2.02 -1.26 -4.74 117.35 114.58 1bth s TYR 225 Ca 0.29 -0.23 -0.20 0.00 -0.37 0.00 0.00 57.07 56.55 1bth s TYR 225 Cb -0.07 -0.06 -0.06 0.00 -0.40 0.00 0.00 41.96 41.36 1bth s TYR 225 CO 0.17 -0.33 0.59 0.20 -1.57 0.00 0.00 175.55 174.62 1bth s GLY 226 N -1.66 2.67 -0.11 0.71 0.00 -1.17 -4.56 107.32 103.20 1bth s GLY 226 Ca -0.11 0.06 -0.04 0.00 0.00 0.00 0.00 44.72 44.63 1bth s GLY 226 CO -0.01 0.60 0.04 -1.36 0.00 0.00 0.00 173.10 172.37 1bth s PHE 227 N -0.77 3.27 0.06 1.90 0.40 0.46 -1.99 117.98 121.31 1bth s PHE 227 Ca 0.30 0.25 0.06 0.00 -0.60 0.00 0.00 56.93 56.94 1bth s PHE 227 Cb -0.19 -1.86 -0.03 0.00 0.51 0.00 0.00 43.02 41.45 1bth s PHE 227 CO 0.19 0.49 -0.16 0.71 0.70 0.00 0.00 175.22 177.14 1bth s TYR 228 N -0.76 1.40 0.29 0.36 1.51 -0.04 -1.77 117.35 118.34 1bth s TYR 228 Ca 0.12 -0.39 -0.29 0.00 -1.01 0.00 0.00 57.07 55.50 1bth s TYR 228 Cb -0.12 -0.81 -0.10 0.00 -0.11 0.00 0.00 41.96 40.83 1bth s TYR 228 CO 0.02 0.07 1.20 0.99 -1.11 0.00 0.00 175.55 176.73 1bth s THR 229 N -0.98 3.19 -0.87 -0.71 2.01 -0.72 -0.83 115.64 116.73 1bth s THR 229 Ca 0.02 1.17 -0.25 0.00 0.31 0.00 0.00 61.69 62.94 1bth s THR 229 Cb -0.09 -3.74 0.04 0.00 0.01 0.00 0.00 72.50 68.72 1bth s THR 229 CO 0.02 0.26 1.34 -2.28 -0.69 0.00 0.00 174.62 173.27 1bth s HIS 230 N -0.98 2.44 0.14 4.92 2.46 0.14 -2.93 115.29 121.48 1bth s HIS 230 Ca 0.48 -0.47 -0.18 0.00 0.47 0.00 0.00 55.06 55.35 1bth s HIS 230 Cb -0.35 -4.63 0.03 0.00 -0.13 0.00 0.00 32.58 27.49 1bth s HIS 230 CO 0.45 -1.98 1.72 0.28 -2.47 0.00 0.00 174.74 172.74 1bth h VAL 231 N 6.36 0.81 -0.65 0.89 2.07 -1.51 -2.73 116.25 121.48 1bth h VAL 231 Ca -0.05 -0.03 0.10 0.00 0.82 0.00 0.00 66.70 67.54 1bth h VAL 231 Cb 1.03 0.70 -0.08 0.00 -1.52 0.00 0.00 31.29 31.43 1bth h VAL 231 CO 1.34 0.02 0.27 0.15 0.02 0.00 0.00 177.57 179.36 1bth h PHE 232 N 0.10 0.47 0.00 1.57 3.57 -1.86 0.37 116.94 121.17 1bth h PHE 232 Ca 0.14 0.03 -0.00 0.00 3.53 0.00 0.00 57.97 61.66 1bth h PHE 232 Cb 0.17 -0.11 -0.00 0.00 2.79 0.00 0.00 35.95 38.80 1bth h PHE 232 CO -0.20 0.12 -0.02 0.00 -2.23 0.00 0.00 178.31 175.98 1bth h ARG 233 N 0.46 0.00 -0.41 1.11 3.08 -1.87 -2.19 114.38 114.56 1bth h ARG 233 Ca 0.33 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.38 1bth h ARG 233 Cb 0.41 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.46 1bth h ARG 233 CO -0.31 0.02 0.00 1.28 -1.07 0.00 0.00 179.97 179.89 1bth n LEU 234 N -3.20 3.23 0.14 3.04 7.99 0.11 -4.57 117.00 123.74 1bth n LEU 234 Ca -0.02 -1.71 0.04 0.00 -0.01 0.00 0.00 56.01 54.32 1bth n LEU 234 Cb 0.18 -0.27 0.47 0.00 -0.11 0.00 0.00 43.42 43.68 1bth n LEU 234 CO 0.24 0.75 0.97 0.50 -1.51 0.00 0.00 177.39 178.35 1bth h LYS 235 N 3.40 0.20 -0.40 3.23 3.64 -0.16 -2.54 116.57 123.93 1bth h LYS 235 Ca 0.00 -0.03 -0.09 0.00 -1.27 0.00 0.00 60.65 59.26 1bth h LYS 235 Cb 0.85 -0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 32.61 1bth h LYS 235 CO 0.00 0.26 -0.11 -0.22 -2.27 0.00 0.00 179.45 177.11 1bth h LYS 236 N 0.20 0.72 -0.45 1.90 1.63 -1.80 -0.53 116.57 118.23 1bth h LYS 236 Ca 0.05 -0.23 -0.10 0.00 -0.85 0.00 0.00 60.65 59.52 1bth h LYS 236 Cb 0.21 -0.06 -0.01 0.00 -0.60 0.00 0.00 32.23 31.77 1bth h LYS 236 CO 0.01 0.81 -0.09 2.35 -3.45 0.00 0.00 179.45 179.08 1bth h TRP 237 N 0.65 0.96 0.18 1.91 7.01 -1.80 0.11 115.95 124.97 1bth h TRP 237 Ca 0.11 -0.20 -0.01 0.00 2.11 0.00 0.00 58.89 60.91 1bth h TRP 237 Cb 0.57 -0.24 -0.00 0.00 -2.10 0.00 0.00 29.16 27.39 1bth h TRP 237 CO 0.03 0.95 -0.11 0.82 -2.79 0.00 0.00 178.44 177.34 1bth h ILE 238 N 0.70 0.77 -0.46 2.65 2.04 -1.14 0.49 117.51 122.57 1bth h ILE 238 Ca 0.12 0.00 0.02 0.00 1.00 0.00 0.00 64.86 66.00 1bth h ILE 238 Cb 0.63 0.77 -0.03 0.00 -0.74 0.00 0.00 36.82 37.45 1bth h ILE 238 CO 0.04 0.00 0.27 1.56 0.00 0.00 0.00 178.15 180.02 1bth h GLN 239 N -0.27 0.53 -0.35 2.37 4.20 -1.03 0.18 115.11 120.74 1bth h GLN 239 Ca -0.02 -0.03 0.05 0.00 0.06 0.00 0.00 58.65 58.71 1bth h GLN 239 Cb 0.23 -0.12 -0.04 0.00 0.30 0.00 0.00 27.48 27.84 1bth h GLN 239 CO 0.02 0.35 0.08 -0.22 -0.67 0.00 0.00 178.83 178.39 1bth h LYS 240 N 0.54 0.20 -0.34 1.46 3.64 -0.05 -2.42 116.57 119.59 1bth h LYS 240 Ca 0.18 -0.01 -0.15 0.00 -1.27 0.00 0.00 60.65 59.40 1bth h LYS 240 Cb 0.01 -0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 31.78 1bth h LYS 240 CO -0.08 0.13 -0.37 0.28 -2.27 0.00 0.00 179.45 177.13 1bth h VAL 241 N 0.20 1.28 0.00 2.00 2.07 0.35 -3.51 116.25 118.65 1bth h VAL 241 Ca 0.16 -1.54 0.00 0.00 0.82 0.00 0.00 66.70 66.14 1bth h VAL 241 Cb 0.18 1.41 0.00 0.00 -1.52 0.00 0.00 31.29 31.36 1bth h VAL 241 CO -0.21 0.51 0.00 -0.38 0.02 0.00 0.00 177.57 177.51