#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 5.23 -0.62 1.39 1.01 0.23 -4.25 120.40 123.39 1bth s VAL 17 Ca 0.00 0.40 0.00 0.00 0.00 0.00 0.00 61.98 62.38 1bth s VAL 17 Cb 0.00 -3.59 0.00 0.00 0.00 0.00 0.00 36.38 32.79 1bth s VAL 17 CO 0.00 0.45 0.00 -0.62 0.00 0.00 0.00 175.10 174.93 1bth n GLU 18 N 1.42 -1.84 0.00 2.72 -0.58 -1.26 -1.51 120.64 119.58 1bth n GLU 18 Ca -0.13 0.70 0.00 0.00 -0.42 0.00 0.00 57.16 57.31 1bth n GLU 18 Cb 0.53 -5.14 0.00 0.00 -0.57 0.00 0.00 31.44 26.26 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 0.60 0.05 3.40 0.62 0.00 -1.26 -4.72 105.19 103.87 1bth n GLY 19 Ca -0.06 -1.73 -0.10 0.00 0.00 0.00 0.00 46.02 44.13 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 -0.24 0.19 1.61 1.04 0.11 -4.92 113.70 110.49 1bth s SER 20 Ca 0.00 -0.40 -0.32 0.00 0.48 0.00 0.00 55.95 55.71 1bth s SER 20 Cb 0.00 0.52 -0.11 0.00 0.10 0.00 0.00 66.02 66.52 1bth s SER 20 CO 0.00 -0.94 1.71 -1.81 0.98 0.00 0.00 173.24 173.18 1bth s ASP 21 N -2.84 6.42 0.90 7.02 1.11 -1.26 -0.37 116.67 127.64 1bth s ASP 21 Ca 0.06 2.81 -0.12 0.00 0.18 0.00 0.00 52.55 55.48 1bth s ASP 21 Cb 0.01 -2.59 0.13 0.00 1.07 0.00 0.00 42.92 41.53 1bth s ASP 21 CO -0.08 -0.95 1.10 0.00 1.18 0.00 0.00 175.17 176.43 1bth s ALA 22 N 1.37 1.66 0.45 5.23 0.00 -0.23 -4.79 121.76 125.45 1bth s ALA 22 Ca 0.75 -0.28 0.04 0.00 0.00 0.00 0.00 51.96 52.47 1bth s ALA 22 Cb -0.48 -3.11 0.01 0.00 0.00 0.00 0.00 23.12 19.54 1bth s ALA 22 CO 0.32 -2.27 0.63 -1.21 0.00 0.00 0.00 175.76 173.23 1bth s GLU 23 N -5.09 2.83 0.22 0.00 2.02 -1.26 -4.95 118.70 112.48 1bth s GLU 23 Ca 0.63 -0.93 -0.30 0.00 0.02 0.00 0.00 54.97 54.39 1bth s GLU 23 Cb -0.16 -2.65 -0.09 0.00 0.10 0.00 0.00 34.13 31.32 1bth s GLU 23 CO 0.55 -0.35 1.34 0.42 0.02 0.00 0.00 175.26 177.24 1bth s ILE 24 N -2.48 3.04 0.00 -1.63 -1.09 -1.26 -2.61 121.20 115.17 1bth s ILE 24 Ca 0.53 0.88 0.00 0.00 -2.23 0.00 0.00 60.65 59.82 1bth s ILE 24 Cb -0.10 -3.56 0.00 0.00 -1.58 0.00 0.00 42.46 37.22 1bth s ILE 24 CO 0.35 0.14 0.00 0.61 -1.23 0.00 0.00 174.94 174.81 1bth n GLY 25 N 2.16 0.46 0.28 6.18 0.00 -1.26 -4.90 105.19 108.10 1bth n GLY 25 Ca 0.06 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.00 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 1.14 0.96 -2.77 1.61 -1.53 -1.88 -3.32 114.93 109.14 1bth h MET 26 Ca 0.00 -0.18 -0.61 0.00 -3.44 0.00 0.00 59.70 55.48 1bth h MET 26 Cb 0.20 -0.15 -0.41 0.00 -0.55 0.00 0.00 31.60 30.69 1bth h MET 26 CO 0.00 0.81 -0.72 0.43 0.14 0.00 0.00 176.91 177.57 1bth n SER 27 N -4.42 1.88 0.00 1.39 7.64 -1.26 -4.94 113.62 113.90 1bth n SER 27 Ca 0.04 -2.95 0.07 0.00 1.01 0.00 0.00 58.87 57.04 1bth n SER 27 Cb 0.17 -0.68 0.41 0.00 -1.01 0.00 0.00 64.21 63.10 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 2.15 0.41 0.00 1.43 -0.04 -1.25 -1.66 135.00 136.04 1bth n PRO 28 Ca 0.24 0.02 0.11 0.00 -0.04 0.00 0.00 63.50 63.83 1bth n PRO 28 Cb 0.40 -1.50 0.03 0.00 -0.04 0.00 0.00 33.50 32.39 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 -1.04 0.00 -2.13 0.54 2.14 -1.03 -0.73 117.44 115.20 1bth n TRP 29 Ca 0.10 0.00 -0.42 0.00 2.07 0.00 0.00 57.50 59.25 1bth n TRP 29 Cb 0.06 0.00 -0.03 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 -2.19 4.25 0.04 -2.67 2.00 -0.67 -0.97 119.66 119.45 1bth s GLN 30 Ca 0.21 2.08 0.09 0.00 -2.00 0.00 0.00 55.36 55.74 1bth s GLN 30 Cb 0.18 -3.59 -0.03 0.00 0.80 0.00 0.00 33.01 30.37 1bth s GLN 30 CO 0.45 -0.63 -0.26 0.08 -0.50 0.00 0.00 175.29 174.43 1bth s VAL 31 N 2.52 2.20 -0.19 1.34 1.01 -0.46 -4.05 120.40 122.77 1bth s VAL 31 Ca 0.67 -1.34 -0.04 0.00 0.00 0.00 0.00 61.98 61.27 1bth s VAL 31 Cb -0.34 -1.85 -0.02 0.00 0.00 0.00 0.00 36.38 34.17 1bth s VAL 31 CO 0.28 0.39 -0.03 -0.32 0.00 0.00 0.00 175.10 175.42 1bth s MET 32 N -1.19 3.53 -0.27 2.72 1.75 -0.46 -1.29 119.30 124.09 1bth s MET 32 Ca 0.12 -0.57 -0.13 0.00 -1.25 0.00 0.00 55.69 53.86 1bth s MET 32 Cb -0.10 -2.99 -0.04 0.00 2.84 0.00 0.00 34.83 34.54 1bth s MET 32 CO 0.02 0.01 0.30 -0.51 -0.65 0.00 0.00 175.02 174.18 1bth s LEU 33 N 0.98 4.04 0.09 4.11 1.43 -0.07 -0.67 118.68 128.58 1bth s LEU 33 Ca 0.01 0.18 0.04 0.00 -1.03 0.00 0.00 54.13 53.32 1bth s LEU 33 Cb -0.15 -2.30 -0.04 0.00 0.03 0.00 0.00 46.19 43.74 1bth s LEU 33 CO 0.01 -0.12 -0.10 0.12 0.23 0.00 0.00 176.35 176.49 1bth s PHE 34 N 1.88 1.04 -0.15 0.29 5.36 -0.44 -2.30 117.98 123.65 1bth s PHE 34 Ca 0.12 -0.65 -0.10 0.00 -0.96 0.00 0.00 56.93 55.34 1bth s PHE 34 Cb -0.16 -0.57 0.05 0.00 -0.34 0.00 0.00 43.02 42.00 1bth s PHE 34 CO 0.10 -0.01 0.38 0.50 -1.46 0.00 0.00 175.22 174.73 1bth s ARG 35 N -2.71 0.38 -0.11 10.12 3.52 -1.20 -1.28 118.95 127.67 1bth s ARG 35 Ca 0.04 0.69 -0.21 0.00 -0.13 0.00 0.00 55.73 56.12 1bth s ARG 35 Cb -0.03 0.02 -0.27 0.00 -1.56 0.00 0.00 34.95 33.11 1bth s ARG 35 CO -0.00 -0.13 0.65 1.57 -0.81 0.00 0.00 175.30 176.58 1bth h LYS 36 N 6.76 0.17 -2.87 5.12 -0.00 -1.86 -3.35 116.57 120.53 1bth h LYS 36 Ca -0.35 -0.29 -0.39 0.00 -0.00 0.00 0.00 60.65 59.63 1bth h LYS 36 Cb 1.18 0.11 -0.38 0.00 -0.00 0.00 0.00 32.23 33.13 1bth h LYS 36 CO 0.30 1.14 -0.69 -1.54 -0.00 0.00 0.00 179.45 178.66 1bth s SER 37 N -6.80 1.76 0.06 7.07 1.04 -1.26 -0.32 113.70 115.25 1bth s SER 37 Ca -0.19 -0.34 -0.30 0.00 0.48 0.00 0.00 55.95 55.60 1bth s SER 37 Cb 0.02 0.05 -0.05 0.00 0.10 0.00 0.00 66.02 66.14 1bth s SER 37 CO 0.74 -0.33 1.03 -2.16 0.98 0.00 0.00 173.24 173.51 1bth s PRO 37 N 2.23 4.58 0.58 4.02 0.04 -1.26 -5.04 135.00 140.14 1bth s PRO 37 Ca 0.04 1.53 0.17 0.00 0.04 0.00 0.00 61.00 62.78 1bth s PRO 37 Cb -0.15 -3.40 0.59 0.00 0.04 0.00 0.00 34.50 31.58 1bth s PRO 37 CO -0.10 -0.00 1.12 0.94 0.04 0.00 0.00 177.00 179.00 1bth n GLN 38 N 3.42 0.02 0.00 4.56 7.27 0.56 -3.60 117.38 129.61 1bth n GLN 38 Ca 0.05 0.93 0.00 0.00 0.07 0.00 0.00 57.00 58.05 1bth n GLN 38 Cb 0.49 -2.36 0.00 0.00 2.41 0.00 0.00 30.24 30.78 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 -2.87 0.00 -5.04 3.69 0.28 -1.26 -4.59 120.64 110.84 1bth n GLU 39 Ca 0.15 0.00 -0.30 0.00 -0.16 0.00 0.00 57.16 56.85 1bth n GLU 39 Cb 1.28 -1.21 -0.17 0.00 1.43 0.00 0.00 31.44 32.77 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 -0.63 1.97 -0.23 -1.84 2.96 -1.24 -5.02 118.68 114.65 1bth s LEU 40 Ca 0.00 -0.48 -0.09 0.00 -0.22 0.00 0.00 54.13 53.34 1bth s LEU 40 Cb 0.00 -1.24 0.10 0.00 0.50 0.00 0.00 46.19 45.55 1bth s LEU 40 CO 0.00 0.13 0.51 -0.22 -1.32 0.00 0.00 176.35 175.45 1bth s LEU 41 N 0.39 -0.73 0.20 -0.68 2.96 -1.24 -3.26 118.68 116.31 1bth s LEU 41 Ca -0.17 1.19 -0.21 0.00 -0.22 0.00 0.00 54.13 54.73 1bth s LEU 41 Cb -0.17 1.72 0.05 0.00 0.50 0.00 0.00 46.19 48.29 1bth s LEU 41 CO 0.07 -0.22 0.61 0.00 -1.32 0.00 0.00 176.35 175.48 1bth s GLY 43 N -2.82 2.09 0.37 0.00 0.00 0.17 -0.89 107.32 106.23 1bth s GLY 43 Ca 0.05 -1.81 -0.14 0.00 0.00 0.00 0.00 44.72 42.82 1bth s GLY 43 CO -0.05 -1.67 0.74 0.00 0.00 0.00 0.00 173.10 172.12 1bth s ALA 44 N -2.48 -0.58 0.02 3.20 0.00 -0.41 -3.49 121.76 118.02 1bth s ALA 44 Ca 0.50 -0.82 0.03 0.00 0.00 0.00 0.00 51.96 51.67 1bth s ALA 44 Cb -0.05 0.76 -0.01 0.00 0.00 0.00 0.00 23.12 23.82 1bth s ALA 44 CO 0.29 -0.96 -0.08 0.45 0.00 0.00 0.00 175.76 175.46 1bth s SER 45 N -3.08 0.96 -0.29 0.00 0.15 0.52 -1.35 113.70 110.61 1bth s SER 45 Ca 0.17 -0.30 -0.18 0.00 0.70 0.00 0.00 55.95 56.35 1bth s SER 45 Cb -0.05 -0.06 -0.02 0.00 -1.71 0.00 0.00 66.02 64.19 1bth s SER 45 CO 0.12 -0.00 0.50 -0.22 1.20 0.00 0.00 173.24 174.84 1bth s LEU 46 N -0.71 4.14 -0.01 3.45 2.96 -0.14 -0.32 118.68 128.06 1bth s LEU 46 Ca -0.01 0.31 0.08 0.00 -0.22 0.00 0.00 54.13 54.30 1bth s LEU 46 Cb -0.05 -2.61 -0.11 0.00 0.50 0.00 0.00 46.19 43.92 1bth s LEU 46 CO 0.00 -0.34 0.28 2.30 -1.32 0.00 0.00 176.35 177.27 1bth n ILE 47 N 5.25 0.00 -3.82 6.68 -5.35 -0.90 -2.14 119.36 119.09 1bth n ILE 47 Ca -0.05 -0.26 -0.10 0.00 -0.27 0.00 0.00 62.75 62.08 1bth n ILE 47 Cb 0.50 0.69 0.02 0.00 -1.74 0.00 0.00 39.64 39.11 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 -1.46 -2.12 0.00 7.28 3.41 -1.21 -4.72 113.62 114.80 1bth n SER 48 Ca 0.00 -2.61 0.11 0.00 -0.26 0.00 0.00 58.87 56.11 1bth n SER 48 Cb 0.17 3.57 0.48 0.00 -0.26 0.00 0.00 64.21 68.17 1bth n SER 48 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 1bth n ASP 49 N -1.54 0.00 0.00 4.04 5.75 -1.26 -3.52 116.55 120.02 1bth n ASP 49 Ca -0.07 0.45 0.00 0.00 -0.01 0.00 0.00 54.79 55.16 1bth n ASP 49 Cb 0.58 -0.48 0.00 0.00 -1.03 0.00 0.00 41.12 40.19 1bth n ASP 49 CO 0.00 0.00 0.00 -1.14 -0.11 0.00 0.00 177.20 175.95 1bth n ARG 50 N -1.48 -0.56 -4.75 0.11 0.63 -1.26 -0.71 116.66 108.64 1bth n ARG 50 Ca 0.06 -0.29 -0.24 0.00 -0.92 0.00 0.00 57.85 56.45 1bth n ARG 50 Cb 0.25 -0.79 -0.16 0.00 0.45 0.00 0.00 32.46 32.22 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 -0.00 1.51 0.05 -0.14 0.52 -1.23 -0.81 118.94 118.84 1bth s TRP 51 Ca 0.00 -0.37 0.09 0.00 0.02 0.00 0.00 56.10 55.83 1bth s TRP 51 Cb 0.00 -1.01 -0.03 0.00 -1.15 0.00 0.00 33.47 31.28 1bth s TRP 51 CO 0.00 -0.10 -0.25 0.08 0.02 0.00 0.00 176.95 176.70 1bth s VAL 52 N -0.10 1.99 -0.09 4.03 1.01 -0.29 -2.11 120.40 124.84 1bth s VAL 52 Ca 0.00 -1.35 0.03 0.00 0.00 0.00 0.00 61.98 60.67 1bth s VAL 52 Cb -0.09 -1.71 -0.01 0.00 0.00 0.00 0.00 36.38 34.57 1bth s VAL 52 CO 0.01 0.30 -0.21 -0.22 0.00 0.00 0.00 175.10 174.98 1bth s LEU 53 N -1.27 2.29 0.00 3.92 2.96 0.57 -0.18 118.68 126.97 1bth s LEU 53 Ca 0.10 -0.46 0.00 0.00 -0.22 0.00 0.00 54.13 53.55 1bth s LEU 53 Cb -0.10 -1.46 -0.00 0.00 0.50 0.00 0.00 46.19 45.13 1bth s LEU 53 CO 0.02 0.20 0.04 1.07 -1.32 0.00 0.00 176.35 176.36 1bth n THR 54 N 3.28 0.00 -3.46 3.68 5.66 0.40 -0.36 114.28 123.49 1bth n THR 54 Ca -0.18 -0.18 -0.36 0.00 -3.05 0.00 0.00 64.05 60.28 1bth n THR 54 Cb 0.53 0.10 -0.06 0.00 -1.55 0.00 0.00 70.33 69.35 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 -1.84 3.66 0.41 1.79 0.00 -1.26 -1.57 121.76 122.93 1bth s ALA 55 Ca 0.03 -0.22 0.10 0.00 0.00 0.00 0.00 51.96 51.86 1bth s ALA 55 Cb 0.00 -2.41 0.90 0.00 0.00 0.00 0.00 23.12 21.60 1bth s ALA 55 CO 0.02 0.50 1.99 0.00 0.00 0.00 0.00 175.76 178.27 1bth h ALA 56 N 3.91 1.84 0.00 0.00 0.00 -1.70 -2.73 119.26 120.58 1bth h ALA 56 Ca -0.49 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.40 1bth h ALA 56 Cb 1.20 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.85 1bth h ALA 56 CO 0.65 0.06 0.00 -2.39 0.00 0.00 0.00 179.25 177.57 1bth n HIS 57 N -4.48 0.33 0.84 0.00 1.44 -1.26 -2.53 115.22 109.56 1bth n HIS 57 Ca 0.08 0.13 0.13 0.00 -2.01 0.00 0.00 57.72 56.05 1bth n HIS 57 Cb 0.25 -0.70 0.49 0.00 0.12 0.00 0.00 29.99 30.14 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 -1.82 1.54 -4.95 0.00 4.77 -1.05 -5.03 117.00 110.46 1bth n LEU 59 Ca 0.06 -0.78 -0.19 0.00 -0.03 0.00 0.00 56.01 55.08 1bth n LEU 59 Cb 0.38 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.46 1bth n LEU 59 CO 0.29 0.30 0.08 -0.76 -1.33 0.00 0.00 177.39 175.97 1bth s LEU 60 N -1.88 3.52 0.00 2.23 1.43 -1.23 -4.87 118.68 117.88 1bth s LEU 60 Ca 0.12 -0.58 0.00 0.00 -1.03 0.00 0.00 54.13 52.64 1bth s LEU 60 Cb 0.12 -2.36 0.00 0.00 0.03 0.00 0.00 46.19 43.98 1bth s LEU 60 CO 0.35 -0.72 0.00 -1.22 0.23 0.00 0.00 176.35 174.99 1bth n TYR 60 N -1.72 0.00 -0.05 0.29 4.01 -1.26 -5.04 117.16 113.40 1bth n TYR 60 Ca 0.06 0.00 0.02 0.00 -0.16 0.00 0.00 57.90 57.82 1bth n TYR 60 Cb 0.60 0.00 -0.16 0.00 -0.31 0.00 0.00 39.34 39.47 1bth n TYR 60 CO 0.00 0.00 0.00 -0.35 -0.46 0.00 0.00 176.86 176.05 1bth n PRO 60 N 0.00 0.67 -0.00 -0.72 -0.04 -1.26 -4.91 135.00 128.74 1bth n PRO 60 Ca 0.00 -0.12 0.12 0.00 -0.04 0.00 0.00 63.50 63.46 1bth n PRO 60 Cb 0.00 -1.52 0.71 0.00 -0.04 0.00 0.00 33.50 32.65 1bth n PRO 60 CO 0.00 0.00 0.00 -2.67 -0.04 0.00 0.00 175.50 172.79 1bth n TRP 60 N -2.47 0.00 0.02 0.54 2.14 -1.26 -2.44 117.44 113.97 1bth n TRP 60 Ca -0.16 -0.00 -0.12 0.00 2.07 0.00 0.00 57.50 59.29 1bth n TRP 60 Cb 0.81 0.00 -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 0.16 0.00 -0.67 5.19 -2.06 -3.48 116.42 115.57 1bth h ASP 60 Ca 0.00 -0.27 0.00 0.00 -0.62 0.00 0.00 57.03 56.14 1bth h ASP 60 Cb 0.00 -0.05 0.00 0.00 0.18 0.00 0.00 39.33 39.46 1bth h ASP 60 CO 0.00 1.23 0.00 0.29 -3.12 0.00 0.00 179.24 177.64 1bth n LYS 60 N -3.25 -1.29 -3.23 3.56 5.02 -1.02 -4.98 118.16 112.96 1bth n LYS 60 Ca -0.16 0.32 -0.39 0.00 -2.02 0.00 0.00 58.31 56.06 1bth n LYS 60 Cb 1.03 -4.33 -0.06 0.00 -0.02 0.00 0.00 35.03 31.66 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 -2.01 6.95 0.00 4.39 3.84 -1.26 -4.93 114.94 121.92 1bth s ASN 60 Ca 0.00 1.13 0.00 0.00 0.21 0.00 0.00 52.86 54.20 1bth s ASN 60 Cb 0.00 -2.35 0.00 0.00 -0.55 0.00 0.00 41.25 38.35 1bth s ASN 60 CO 0.00 0.12 0.47 0.49 -2.79 0.00 0.00 177.10 175.38 1bth n PHE 60 N 2.69 0.00 -0.16 0.43 3.72 -1.26 -4.80 117.46 118.08 1bth n PHE 60 Ca -0.07 0.00 -0.11 0.00 -0.05 0.00 0.00 57.45 57.21 1bth n PHE 60 Cb 0.51 0.01 -0.00 0.00 -0.94 0.00 0.00 39.48 39.06 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 3.05 1.27 -6.13 4.37 2.02 -1.98 -3.48 112.91 112.03 1bth h THR 60 Ca 0.00 -1.35 -0.23 0.00 0.77 0.00 0.00 66.41 65.60 1bth h THR 60 Cb 1.00 1.13 0.01 0.00 -1.74 0.00 0.00 68.15 68.55 1bth h THR 60 CO 0.00 0.47 -0.99 -0.62 0.37 0.00 0.00 175.52 174.74 1bth n GLU 61 N -4.14 -1.96 -0.92 6.66 1.02 -1.26 -5.02 120.64 115.02 1bth n GLU 61 Ca -0.00 1.62 0.00 0.00 -0.02 0.00 0.00 57.16 58.76 1bth n GLU 61 Cb 0.44 -3.08 0.00 0.00 -0.02 0.00 0.00 31.44 28.79 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 -0.01 0.00 0.00 1.62 2.85 -1.26 -4.91 115.26 113.55 1bth n ASN 62 Ca -0.02 -0.50 0.00 0.00 -0.11 0.00 0.00 54.58 53.95 1bth n ASN 62 Cb 0.57 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.59 1bth n ASN 62 CO 0.00 0.00 0.00 -0.67 -2.11 0.00 0.00 177.26 174.48 1bth n ASP 63 N -0.08 -0.29 -4.84 1.20 2.03 -1.26 -5.03 116.55 108.28 1bth n ASP 63 Ca 0.00 0.00 -0.34 0.00 0.52 0.00 0.00 54.79 54.97 1bth n ASP 63 Cb 0.00 -0.05 -0.06 0.00 -0.72 0.00 0.00 41.12 40.29 1bth n ASP 63 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 1bth s LEU 64 N 0.00 4.17 -0.08 -2.67 1.43 -1.26 -4.78 118.68 115.49 1bth s LEU 64 Ca 0.00 1.26 0.02 0.00 -1.03 0.00 0.00 54.13 54.37 1bth s LEU 64 Cb 0.00 -3.85 -0.02 0.00 0.03 0.00 0.00 46.19 42.35 1bth s LEU 64 CO 0.00 -0.11 -0.11 -0.76 0.23 0.00 0.00 176.35 175.60 1bth s LEU 65 N -2.63 2.89 -0.35 1.79 1.43 -0.40 -4.52 118.68 116.89 1bth s LEU 65 Ca 0.49 -0.17 -0.08 0.00 -1.03 0.00 0.00 54.13 53.34 1bth s LEU 65 Cb -0.12 -1.62 0.03 0.00 0.03 0.00 0.00 46.19 44.51 1bth s LEU 65 CO 0.19 0.30 0.14 -0.69 0.23 0.00 0.00 176.35 176.52 1bth s VAL 66 N -0.47 4.10 -0.37 -1.59 1.01 -0.97 -1.32 120.40 120.78 1bth s VAL 66 Ca 0.06 -0.99 -0.12 0.00 0.00 0.00 0.00 61.98 60.94 1bth s VAL 66 Cb -0.12 -3.29 0.02 0.00 0.00 0.00 0.00 36.38 32.99 1bth s VAL 66 CO 0.02 -0.17 0.22 -0.13 0.00 0.00 0.00 175.10 175.03 1bth s ARG 67 N 1.47 2.97 -0.08 2.72 0.52 0.15 -0.75 118.95 125.96 1bth s ARG 67 Ca 0.00 -0.99 -0.02 0.00 -0.52 0.00 0.00 55.73 54.21 1bth s ARG 67 Cb -0.19 -3.76 -0.03 0.00 0.52 0.00 0.00 34.95 31.49 1bth s ARG 67 CO 0.04 -0.65 0.01 0.42 0.02 0.00 0.00 175.30 175.15 1bth s ILE 68 N 1.60 4.39 0.00 1.52 1.01 0.66 -1.36 121.20 129.02 1bth s ILE 68 Ca 0.03 -0.25 0.00 0.00 0.00 0.00 0.00 60.65 60.43 1bth s ILE 68 Cb -0.19 -2.87 0.00 0.00 0.01 0.00 0.00 42.46 39.42 1bth s ILE 68 CO 0.07 0.58 0.00 0.61 0.00 0.00 0.00 174.94 176.20 1bth n GLY 69 N 2.03 0.79 3.86 6.18 0.00 -1.26 -0.69 105.19 116.10 1bth n GLY 69 Ca -0.18 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.52 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 -0.81 3.82 0.12 1.61 1.02 -1.26 -4.42 119.74 119.82 1bth s LYS 70 Ca 0.00 0.83 0.00 0.00 0.02 0.00 0.00 55.97 56.82 1bth s LYS 70 Cb 0.00 -2.15 0.00 0.00 -0.52 0.00 0.00 37.83 35.16 1bth s LYS 70 CO 0.00 -0.34 0.00 1.58 -0.92 0.00 0.00 175.35 175.67 1bth n HIS 71 N -1.92 -0.70 -2.36 3.18 -0.00 -1.26 -4.91 115.22 107.24 1bth n HIS 71 Ca 0.06 0.12 -0.41 0.00 -0.00 0.00 0.00 57.72 57.50 1bth n HIS 71 Cb 0.54 0.21 -0.04 0.00 -0.00 0.00 0.00 29.99 30.70 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 -5.46 7.11 -0.03 0.26 0.15 -1.26 0.45 113.70 114.93 1bth s SER 72 Ca 0.00 2.37 -0.23 0.00 0.70 0.00 0.00 55.95 58.79 1bth s SER 72 Cb 0.00 -2.63 -0.22 0.00 -1.71 0.00 0.00 66.02 61.46 1bth s SER 72 CO 0.00 -0.28 1.08 -0.09 1.20 0.00 0.00 173.24 175.15 1bth h ARG 73 N 3.94 0.24 0.15 5.44 2.43 -0.44 -3.40 114.38 122.74 1bth h ARG 73 Ca -0.47 -0.24 -0.34 0.00 -0.81 0.00 0.00 59.98 58.12 1bth h ARG 73 Cb 1.22 0.06 -0.00 0.00 -0.42 0.00 0.00 29.97 30.82 1bth h ARG 73 CO 0.68 0.93 -1.79 1.79 -1.51 0.00 0.00 179.97 180.07 1bth h THR 74 N -0.36 0.82 -4.01 0.20 1.35 -1.86 -3.48 112.91 105.57 1bth h THR 74 Ca -0.03 -2.41 -0.47 0.00 -0.55 0.00 0.00 66.41 62.94 1bth h THR 74 Cb 1.03 2.64 0.01 0.00 -1.73 0.00 0.00 68.15 70.10 1bth h THR 74 CO 0.06 0.84 0.39 -0.60 -0.25 0.00 0.00 175.52 175.96 1bth s ARG 75 N -2.55 4.09 -0.17 4.72 3.52 -1.26 -5.03 118.95 122.27 1bth s ARG 75 Ca -0.20 1.40 -0.22 0.00 -0.13 0.00 0.00 55.73 56.58 1bth s ARG 75 Cb 0.06 -2.37 -0.03 0.00 -1.56 0.00 0.00 34.95 31.05 1bth s ARG 75 CO 0.80 -0.19 0.67 -0.47 -0.81 0.00 0.00 175.30 175.30 1bth s TYR 76 N -1.83 3.42 -0.81 5.12 5.04 -1.26 -4.80 117.35 122.24 1bth s TYR 76 Ca 0.61 1.03 -0.12 0.00 -2.44 0.00 0.00 57.07 56.15 1bth s TYR 76 Cb -0.18 -2.82 0.21 0.00 0.35 0.00 0.00 41.96 39.52 1bth s TYR 76 CO 0.23 -0.12 0.73 -1.21 -1.34 0.00 0.00 175.55 173.84 1bth s GLU 77 N 1.70 3.48 0.00 4.97 2.02 -1.26 -5.00 118.70 124.61 1bth s GLU 77 Ca 0.32 -2.49 0.00 0.00 0.02 0.00 0.00 54.97 52.81 1bth s GLU 77 Cb -0.16 -4.34 0.00 0.00 0.10 0.00 0.00 34.13 29.73 1bth s GLU 77 CO 0.12 -1.27 0.36 0.54 0.02 0.00 0.00 175.26 175.03 1bth n ARG 77 N 3.87 0.00 -0.01 1.61 1.74 -1.26 -0.48 116.66 122.13 1bth n ARG 77 Ca 0.13 0.36 0.00 0.00 -0.77 0.00 0.00 57.85 57.58 1bth n ARG 77 Cb 0.46 -0.81 0.01 0.00 -1.02 0.00 0.00 32.46 31.09 1bth n ARG 77 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 1bth n ASN 78 N -0.77 0.50 -0.01 0.55 3.02 -1.26 -4.10 115.26 113.19 1bth n ASN 78 Ca 0.00 -2.01 -0.05 0.00 -0.03 0.00 0.00 54.58 52.49 1bth n ASN 78 Cb 0.00 -0.21 -0.02 0.00 -0.61 0.00 0.00 39.78 38.95 1bth n ASN 78 CO 0.00 0.00 0.00 -0.38 -2.62 0.00 0.00 177.26 174.26 1bth n ILE 79 N -0.26 0.65 -3.03 2.41 5.41 -1.03 -5.07 119.36 118.44 1bth n ILE 79 Ca 0.01 0.07 -0.27 0.00 1.00 0.00 0.00 62.75 63.55 1bth n ILE 79 Cb 0.12 -1.64 -0.02 0.00 -0.71 0.00 0.00 39.64 37.39 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 -2.14 3.58 -0.01 0.38 -1.05 0.37 -4.72 118.70 115.11 1bth s GLU 80 Ca -0.07 0.05 0.02 0.00 -0.15 0.00 0.00 54.97 54.82 1bth s GLU 80 Cb 0.02 -2.52 -0.00 0.00 -0.44 0.00 0.00 34.13 31.20 1bth s GLU 80 CO 0.10 0.01 -0.07 0.15 0.95 0.00 0.00 175.26 176.39 1bth s LYS 81 N -4.23 0.70 -0.14 -4.83 1.02 0.13 -4.86 119.74 107.54 1bth s LYS 81 Ca 0.45 -0.26 -0.02 0.00 0.02 0.00 0.00 55.97 56.16 1bth s LYS 81 Cb -0.10 -0.68 -0.03 0.00 -0.52 0.00 0.00 37.83 36.50 1bth s LYS 81 CO 0.37 0.12 -0.06 0.42 -0.92 0.00 0.00 175.35 175.29 1bth s ILE 82 N 0.02 3.73 0.21 2.17 1.01 -1.26 -0.24 121.20 126.84 1bth s ILE 82 Ca -0.00 -0.43 0.06 0.00 0.00 0.00 0.00 60.65 60.28 1bth s ILE 82 Cb -0.05 -2.61 -0.05 0.00 0.01 0.00 0.00 42.46 39.76 1bth s ILE 82 CO -0.00 0.52 -0.09 -0.55 0.00 0.00 0.00 174.94 174.82 1bth s SER 83 N 0.16 2.24 0.14 3.58 0.15 0.07 -4.97 113.70 115.08 1bth s SER 83 Ca -0.03 -1.09 0.03 0.00 0.70 0.00 0.00 55.95 55.56 1bth s SER 83 Cb -0.14 -0.08 -0.04 0.00 -1.71 0.00 0.00 66.02 64.06 1bth s SER 83 CO 0.03 -0.32 0.22 -0.04 1.20 0.00 0.00 173.24 174.33 1bth s MET 84 N -3.74 3.24 -0.14 5.44 1.00 -1.26 -2.29 119.30 121.55 1bth s MET 84 Ca 0.24 -0.68 -0.14 0.00 0.00 0.00 0.00 55.69 55.11 1bth s MET 84 Cb 0.02 -2.86 -0.05 0.00 0.00 0.00 0.00 34.83 31.95 1bth s MET 84 CO 0.06 0.52 0.32 -0.51 0.00 0.00 0.00 175.02 175.41 1bth s LEU 85 N -3.09 4.27 -0.15 -0.03 1.43 -1.26 -0.43 118.68 119.42 1bth s LEU 85 Ca 0.33 0.58 -0.28 0.00 -1.03 0.00 0.00 54.13 53.73 1bth s LEU 85 Cb -0.11 -2.42 -0.25 0.00 0.03 0.00 0.00 46.19 43.44 1bth s LEU 85 CO 0.26 0.11 0.69 -0.08 0.23 0.00 0.00 176.35 177.57 1bth h GLU 86 N 6.48 0.00 -3.70 1.70 4.81 -0.24 -3.44 114.58 120.20 1bth h GLU 86 Ca -0.42 -0.00 -0.11 0.00 -0.13 0.00 0.00 59.36 58.69 1bth h GLU 86 Cb 1.17 0.00 -0.17 0.00 0.63 0.00 0.00 28.75 30.39 1bth h GLU 86 CO 0.74 1.00 -0.44 0.21 -0.73 0.00 0.00 179.01 179.79 1bth s LYS 87 N -2.24 0.68 -0.06 1.92 2.47 -1.14 -4.99 119.74 116.39 1bth s LYS 87 Ca -0.20 -0.74 0.04 0.00 -1.56 0.00 0.00 55.97 53.50 1bth s LYS 87 Cb -0.02 0.28 0.00 0.00 -1.46 0.00 0.00 37.83 36.63 1bth s LYS 87 CO 0.68 -0.19 -0.17 0.42 0.16 0.00 0.00 175.35 176.25 1bth s ILE 88 N -2.83 1.45 -0.24 5.43 1.01 -1.26 -0.66 121.20 124.10 1bth s ILE 88 Ca -0.03 -0.70 0.01 0.00 0.00 0.00 0.00 60.65 59.93 1bth s ILE 88 Cb 0.00 -1.27 0.06 0.00 0.01 0.00 0.00 42.46 41.27 1bth s ILE 88 CO -0.05 0.42 -0.04 -0.31 0.00 0.00 0.00 174.94 174.96 1bth s TYR 89 N 0.29 2.39 -0.12 3.97 1.51 0.37 -5.01 117.35 120.76 1bth s TYR 89 Ca -0.10 -1.78 -0.09 0.00 -1.01 0.00 0.00 57.07 54.09 1bth s TYR 89 Cb -0.14 -1.62 -0.04 0.00 -0.11 0.00 0.00 41.96 40.04 1bth s TYR 89 CO 0.04 -0.78 0.18 0.42 -1.11 0.00 0.00 175.55 174.29 1bth s ILE 90 N 1.40 5.43 -0.14 2.71 1.01 -1.26 -0.46 121.20 129.88 1bth s ILE 90 Ca -0.04 0.30 -0.33 0.00 0.00 0.00 0.00 60.65 60.57 1bth s ILE 90 Cb -0.19 -3.46 -0.11 0.00 0.01 0.00 0.00 42.46 38.72 1bth s ILE 90 CO -0.07 0.58 1.98 1.57 0.00 0.00 0.00 174.94 179.00 1bth n HIS 91 N 2.24 2.19 0.00 3.97 -0.00 -0.75 -4.80 115.22 118.07 1bth n HIS 91 Ca -0.18 -0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.53 1bth n HIS 91 Cb 0.54 -2.66 0.00 0.00 -0.00 0.00 0.00 29.99 27.87 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 7.23 0.00 -0.10 1.57 -0.04 -1.26 -0.66 135.00 141.74 1bth n PRO 92 Ca 0.26 0.35 0.04 0.00 -0.04 0.00 0.00 63.50 64.12 1bth n PRO 92 Cb 0.31 -1.60 0.09 0.00 -0.04 0.00 0.00 33.50 32.26 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 -1.34 2.54 -1.92 0.54 5.12 -1.26 -5.02 116.66 115.32 1bth n ARG 93 Ca 0.00 -2.02 -0.42 0.00 -1.93 0.00 0.00 57.85 53.48 1bth n ARG 93 Cb 0.10 -1.27 -0.02 0.00 -1.16 0.00 0.00 32.46 30.11 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 -1.67 2.96 -0.28 -1.55 5.04 0.16 -4.72 117.35 117.29 1bth s TYR 94 Ca 0.17 0.82 0.00 0.00 -2.44 0.00 0.00 57.07 55.63 1bth s TYR 94 Cb 0.13 -3.92 0.09 0.00 0.35 0.00 0.00 41.96 38.60 1bth s TYR 94 CO 0.05 -3.18 0.05 -0.80 -1.34 0.00 0.00 175.55 170.33 1bth s ASN 95 N 0.65 3.97 -0.04 4.32 0.02 -1.04 -4.98 114.94 117.84 1bth s ASN 95 Ca 0.64 -1.52 -0.11 0.00 -1.02 0.00 0.00 52.86 50.85 1bth s ASN 95 Cb -0.44 -1.02 -0.06 0.00 0.02 0.00 0.00 41.25 39.75 1bth s ASN 95 CO 0.40 -0.36 0.49 4.11 0.02 0.00 0.00 177.10 181.77 1bth h TRP 96 N 8.00 -0.35 -0.02 2.20 5.08 -1.93 0.87 115.95 129.80 1bth h TRP 96 Ca -0.13 -0.01 -0.65 0.00 1.08 0.00 0.00 58.89 59.18 1bth h TRP 96 Cb 1.04 0.12 0.02 0.00 -3.00 0.00 0.00 29.16 27.34 1bth h TRP 96 CO 0.40 -0.22 3.67 -2.13 -1.28 0.00 0.00 178.44 178.88 1bth n ARG 97 N -4.55 3.65 0.00 0.12 0.63 -1.26 -4.25 116.66 111.00 1bth n ARG 97 Ca -0.05 -2.16 0.00 0.00 -0.92 0.00 0.00 57.85 54.72 1bth n ARG 97 Cb 0.15 -2.76 0.00 0.00 0.45 0.00 0.00 32.46 30.30 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 3.51 0.00 0.00 -0.14 2.13 -1.24 -5.02 120.64 119.87 1bth n GLU 97 Ca 0.77 0.00 0.13 0.00 0.66 0.00 0.00 57.16 58.72 1bth n GLU 97 Cb 0.26 0.00 0.45 0.00 0.27 0.00 0.00 31.44 32.42 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 0.71 -2.06 4.31 0.23 -1.21 -4.91 115.26 112.34 1bth n ASN 98 Ca 0.00 -0.62 -0.19 0.00 -0.53 0.00 0.00 54.58 53.24 1bth n ASN 98 Cb 0.00 0.05 -0.04 0.00 -2.08 0.00 0.00 39.78 37.71 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 -0.92 -1.62 -4.79 -4.53 4.77 0.30 -4.86 117.00 105.36 1bth n LEU 99 Ca 0.12 0.21 -0.38 0.00 -0.03 0.00 0.00 56.01 55.93 1bth n LEU 99 Cb 0.32 -2.73 -0.06 0.00 -2.33 0.00 0.00 43.42 38.62 1bth n LEU 99 CO 0.27 -0.53 0.52 -0.62 -1.33 0.00 0.00 177.39 175.69 1bth s ASP 100 N -2.28 7.30 -1.05 -1.43 2.15 -1.25 -4.19 116.67 115.92 1bth s ASP 100 Ca 0.00 1.65 -0.02 0.00 0.43 0.00 0.00 52.55 54.61 1bth s ASP 100 Cb 0.00 -2.50 0.00 0.00 -0.30 0.00 0.00 42.92 40.12 1bth s ASP 100 CO 0.00 0.09 0.89 0.54 -0.17 0.00 0.00 175.17 176.51 1bth n ARG 101 N 1.07 -5.91 -2.51 4.34 1.74 -1.26 -2.49 116.66 111.64 1bth n ARG 101 Ca -0.02 0.71 -0.41 0.00 -0.77 0.00 0.00 57.85 57.35 1bth n ARG 101 Cb 0.50 -5.34 -0.01 0.00 -1.02 0.00 0.00 32.46 26.58 1bth n ARG 101 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 1bth n ASP 102 N -2.66 4.70 -3.84 0.55 -0.08 -1.26 -4.21 116.55 109.75 1bth n ASP 102 Ca -0.17 -2.89 -0.12 0.00 -1.51 0.00 0.00 54.79 50.10 1bth n ASP 102 Cb 0.62 -1.75 -0.11 0.00 2.34 0.00 0.00 41.12 42.22 1bth n ASP 102 CO 0.00 0.00 0.00 -0.51 0.12 0.00 0.00 177.20 176.81 1bth s ILE 103 N 5.07 0.05 -0.18 5.18 2.07 -1.26 -4.03 121.20 128.10 1bth s ILE 103 Ca 0.56 -0.40 -0.14 0.00 -1.41 0.00 0.00 60.65 59.25 1bth s ILE 103 Cb 0.03 -0.36 0.05 0.00 0.13 0.00 0.00 42.46 42.31 1bth s ILE 103 CO 0.09 -0.22 0.47 0.00 -1.91 0.00 0.00 174.94 173.36 1bth s ALA 104 N -0.78 -1.17 0.14 1.50 0.00 -0.61 -1.81 121.76 119.03 1bth s ALA 104 Ca -0.09 1.44 0.05 0.00 0.00 0.00 0.00 51.96 53.37 1bth s ALA 104 Cb -0.05 -0.85 -0.04 0.00 0.00 0.00 0.00 23.12 22.18 1bth s ALA 104 CO 0.01 -0.24 0.07 -0.51 0.00 0.00 0.00 175.76 175.08 1bth s LEU 105 N 0.63 3.61 -0.04 0.00 1.43 0.39 -0.45 118.68 124.25 1bth s LEU 105 Ca -0.03 -0.19 0.00 0.00 -1.03 0.00 0.00 54.13 52.89 1bth s LEU 105 Cb -0.05 -2.27 0.03 0.00 0.03 0.00 0.00 46.19 43.93 1bth s LEU 105 CO -0.04 0.11 -0.00 -0.04 0.23 0.00 0.00 176.35 176.61 1bth s MET 106 N -2.79 0.37 -0.23 1.70 -1.94 0.75 -0.48 119.30 116.68 1bth s MET 106 Ca 0.29 0.08 -0.18 0.00 -1.71 0.00 0.00 55.69 54.16 1bth s MET 106 Cb -0.11 -0.58 -0.03 0.00 2.01 0.00 0.00 34.83 36.13 1bth s MET 106 CO 0.21 -0.16 0.53 0.21 -0.01 0.00 0.00 175.02 175.80 1bth s LYS 107 N 1.19 4.14 0.45 2.03 2.20 0.17 -1.14 119.74 128.78 1bth s LYS 107 Ca -0.07 0.40 -0.21 0.00 -0.36 0.00 0.00 55.97 55.72 1bth s LYS 107 Cb -0.13 -3.60 -0.09 0.00 -1.51 0.00 0.00 37.83 32.49 1bth s LYS 107 CO -0.02 -0.24 1.02 -0.51 -0.36 0.00 0.00 175.35 175.24 1bth s LEU 108 N 1.95 3.95 0.15 5.43 1.43 0.01 0.43 118.68 132.02 1bth s LEU 108 Ca 0.23 1.90 -0.26 0.00 -1.03 0.00 0.00 54.13 54.97 1bth s LEU 108 Cb -0.15 -4.45 -0.01 0.00 0.03 0.00 0.00 46.19 41.61 1bth s LEU 108 CO 0.09 -0.61 1.59 0.11 0.23 0.00 0.00 176.35 177.77 1bth h LYS 109 N 1.90 -0.36 -4.82 1.70 1.79 -1.03 -3.41 116.57 112.34 1bth h LYS 109 Ca -0.49 0.02 -0.36 0.00 -2.18 0.00 0.00 60.65 57.64 1bth h LYS 109 Cb 1.21 0.08 -0.25 0.00 -1.58 0.00 0.00 32.23 31.69 1bth h LYS 109 CO 0.60 -0.24 -0.77 -1.59 -1.08 0.00 0.00 179.45 176.38 1bth s LYS 110 N -5.94 0.68 0.36 3.15 -2.85 -1.26 -4.92 119.74 108.96 1bth s LYS 110 Ca -0.15 -0.59 -0.28 0.00 -1.00 0.00 0.00 55.97 53.95 1bth s LYS 110 Cb 0.11 -0.61 -0.12 0.00 -2.06 0.00 0.00 37.83 35.15 1bth s LYS 110 CO 0.66 0.15 1.39 -0.35 0.10 0.00 0.00 175.35 177.30 1bth n PRO 111 N 2.09 2.40 -1.80 1.78 -0.04 -1.26 -4.92 135.00 133.25 1bth n PRO 111 Ca -0.18 0.84 -0.29 0.00 -0.04 0.00 0.00 63.50 63.83 1bth n PRO 111 Cb 0.56 -2.50 0.08 0.00 -0.04 0.00 0.00 33.50 31.60 1bth n PRO 111 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1bth s VAL 112 N -1.06 2.66 -0.15 0.52 0.11 0.11 -5.00 120.40 117.60 1bth s VAL 112 Ca 0.55 0.21 0.02 0.00 -2.93 0.00 0.00 61.98 59.83 1bth s VAL 112 Cb -0.52 -3.15 0.01 0.00 -1.53 0.00 0.00 36.38 31.19 1bth s VAL 112 CO 0.62 -0.28 -0.21 0.00 -3.33 0.00 0.00 175.10 171.91 1bth s ALA 113 N -3.41 2.29 0.87 1.54 0.00 -1.26 -4.88 121.76 116.91 1bth s ALA 113 Ca 0.61 -1.11 -0.11 0.00 0.00 0.00 0.00 51.96 51.34 1bth s ALA 113 Cb -0.12 -1.06 0.11 0.00 0.00 0.00 0.00 23.12 22.06 1bth s ALA 113 CO 0.51 -0.09 1.10 -0.06 0.00 0.00 0.00 175.76 177.22 1bth s PHE 114 N 0.91 2.22 0.08 0.00 0.08 -1.26 -4.91 117.98 115.10 1bth s PHE 114 Ca -0.04 1.48 -0.04 0.00 0.12 0.00 0.00 56.93 58.45 1bth s PHE 114 Cb -0.15 -3.15 0.02 0.00 -0.57 0.00 0.00 43.02 39.17 1bth s PHE 114 CO -0.04 -2.33 0.23 -1.13 -0.10 0.00 0.00 175.22 171.85 1bth n SER 115 N -3.87 -0.53 0.26 1.36 3.41 -0.61 -4.93 113.62 108.71 1bth n SER 115 Ca 0.09 -1.33 0.15 0.00 -0.26 0.00 0.00 58.87 57.51 1bth n SER 115 Cb 0.54 0.87 0.86 0.00 -0.26 0.00 0.00 64.21 66.21 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 0.50 0.00 0.00 4.04 5.19 -1.98 -2.73 116.42 121.44 1bth h ASP 116 Ca -0.08 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.33 1bth h ASP 116 Cb 0.31 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.82 1bth h ASP 116 CO 0.10 0.00 -1.58 -1.22 -3.12 0.00 0.00 179.24 173.42 1bth n TYR 117 N -3.94 0.00 -4.42 4.55 4.01 -1.26 -4.76 117.16 111.34 1bth n TYR 117 Ca -0.02 0.00 -0.29 0.00 -0.16 0.00 0.00 57.90 57.43 1bth n TYR 117 Cb 0.15 -0.30 -0.17 0.00 -0.31 0.00 0.00 39.34 38.72 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 -3.24 1.60 -0.29 -0.72 1.01 -1.03 -4.37 121.20 114.17 1bth s ILE 118 Ca -0.02 -0.70 -0.19 0.00 0.00 0.00 0.00 60.65 59.74 1bth s ILE 118 Cb 0.14 -1.46 0.13 0.00 0.01 0.00 0.00 42.46 41.28 1bth s ILE 118 CO 0.85 0.46 0.95 -2.28 0.00 0.00 0.00 174.94 174.92 1bth s HIS 119 N 1.04 -0.61 0.46 3.97 2.46 0.09 -1.58 115.29 121.12 1bth s HIS 119 Ca -0.05 1.30 -0.22 0.00 0.47 0.00 0.00 55.06 56.56 1bth s HIS 119 Cb -0.15 0.39 -0.08 0.00 -0.13 0.00 0.00 32.58 32.61 1bth s HIS 119 CO -0.03 -0.30 1.12 -1.25 -2.47 0.00 0.00 174.74 171.80 1bth s PRO 120 N 1.01 3.80 0.38 2.88 0.04 -1.26 -2.47 135.00 139.38 1bth s PRO 120 Ca -0.05 1.64 -0.06 0.00 0.04 0.00 0.00 61.00 62.56 1bth s PRO 120 Cb -0.04 -2.34 -0.05 0.00 0.04 0.00 0.00 34.50 32.11 1bth s PRO 120 CO -0.12 -0.48 0.68 0.14 0.04 0.00 0.00 177.00 177.25 1bth s VAL 121 N -1.66 4.93 0.31 -0.36 -7.23 -0.91 -4.96 120.40 110.53 1bth s VAL 121 Ca 0.64 0.21 -0.11 0.00 -1.81 0.00 0.00 61.98 60.90 1bth s VAL 121 Cb -0.25 -3.78 -0.07 0.00 0.56 0.00 0.00 36.38 32.84 1bth s VAL 121 CO 0.30 -0.54 0.67 0.00 -0.31 0.00 0.00 175.10 175.22 1bth s LEU 123 N -3.22 4.40 0.46 0.00 1.43 -1.26 -0.49 118.68 119.99 1bth s LEU 123 Ca 0.50 0.55 -0.24 0.00 -1.03 0.00 0.00 54.13 53.91 1bth s LEU 123 Cb -0.11 -2.26 -0.07 0.00 0.03 0.00 0.00 46.19 43.78 1bth s LEU 123 CO 0.23 0.37 1.35 -2.16 0.23 0.00 0.00 176.35 176.37 1bth s PRO 124 N -1.18 3.65 0.21 1.29 0.04 -1.26 -4.87 135.00 132.88 1bth s PRO 124 Ca 0.19 2.23 0.09 0.00 0.04 0.00 0.00 61.00 63.55 1bth s PRO 124 Cb -0.13 -2.57 -0.04 0.00 0.04 0.00 0.00 34.50 31.80 1bth s PRO 124 CO 0.08 -0.78 -0.07 0.16 0.04 0.00 0.00 177.00 176.43 1bth s ASP 125 N -0.77 4.32 0.08 6.66 -4.77 -1.26 -4.86 116.67 116.07 1bth s ASP 125 Ca 0.62 -0.61 -0.07 0.00 -3.30 0.00 0.00 52.55 49.20 1bth s ASP 125 Cb -0.40 -0.75 0.08 0.00 -1.09 0.00 0.00 42.92 40.77 1bth s ASP 125 CO 0.50 0.07 0.55 -1.14 0.70 0.00 0.00 175.17 175.85 1bth n ARG 126 N -0.23 -0.09 0.21 2.11 3.00 -1.26 0.08 116.66 120.48 1bth n ARG 126 Ca -0.09 0.55 -0.15 0.00 -0.00 0.00 0.00 57.85 58.16 1bth n ARG 126 Cb 0.56 -0.81 -0.07 0.00 0.00 0.00 0.00 32.46 32.14 1bth n ARG 126 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.63 179.12 1bth h GLU 127 N 0.00 -0.59 -1.08 -0.14 4.57 -2.03 -1.64 114.58 113.67 1bth h GLU 127 Ca 0.12 0.04 0.00 0.00 -1.18 0.00 0.00 59.36 58.34 1bth h GLU 127 Cb 0.21 0.13 0.00 0.00 -0.16 0.00 0.00 28.75 28.93 1bth h GLU 127 CO -0.35 -0.39 0.00 2.41 -1.18 0.00 0.00 179.01 179.50 1bth n THR 128 N -5.39 0.00 0.00 0.32 -1.04 0.11 -0.13 114.28 108.14 1bth n THR 128 Ca -0.10 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.91 1bth n THR 128 Cb 0.30 -0.23 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 0.68 0.00 0.22 2.41 0.00 -0.62 -0.73 120.51 122.47 1bth n ALA 129 Ca 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 53.44 53.29 1bth n ALA 129 Cb 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.37 1bth n ALA 129 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1bth h SER 129 N 0.00 -0.43 0.46 0.00 4.64 -0.80 -3.39 113.55 114.03 1bth h SER 129 Ca 0.00 -0.04 -0.30 0.00 -0.47 0.00 0.00 61.79 60.98 1bth h SER 129 Cb 0.00 0.11 -0.02 0.00 -0.31 0.00 0.00 62.40 62.19 1bth h SER 129 CO 0.00 -0.24 -1.58 -0.07 -0.87 0.00 0.00 176.83 174.07 1bth h LEU 129 N -0.60 0.30 -7.92 5.97 3.38 -1.17 -3.42 115.31 111.85 1bth h LEU 129 Ca -0.05 -0.45 -0.58 0.00 0.09 0.00 0.00 57.88 56.89 1bth h LEU 129 Cb 0.44 -0.10 -0.07 0.00 0.09 0.00 0.00 40.66 41.03 1bth h LEU 129 CO 0.09 1.39 1.84 -0.76 0.09 0.00 0.00 178.44 181.08 1bth s LEU 130 N -6.81 3.60 -0.00 1.67 1.43 -1.26 -4.82 118.68 112.49 1bth s LEU 130 Ca -0.09 -2.14 0.01 0.00 -1.03 0.00 0.00 54.13 50.88 1bth s LEU 130 Cb 0.07 -2.58 -0.00 0.00 0.03 0.00 0.00 46.19 43.71 1bth s LEU 130 CO 0.84 -1.71 -0.02 -1.10 0.23 0.00 0.00 176.35 174.58 1bth s GLN 131 N 4.91 0.19 0.08 1.70 -0.21 -1.26 -4.93 119.66 120.14 1bth s GLN 131 Ca 0.57 -0.08 -0.35 0.00 0.02 0.00 0.00 55.36 55.52 1bth s GLN 131 Cb 0.02 -0.19 -0.14 0.00 1.00 0.00 0.00 33.01 33.70 1bth s GLN 131 CO 0.08 0.05 1.58 0.00 -2.12 0.00 0.00 175.29 174.87 1bth n ALA 132 N 3.04 0.64 0.00 6.09 0.00 -1.26 -0.83 120.51 128.18 1bth n ALA 132 Ca -0.13 0.43 0.00 0.00 0.00 0.00 0.00 53.44 53.75 1bth n ALA 132 Cb 0.59 -2.30 0.00 0.00 0.00 0.00 0.00 19.45 17.74 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 3.40 3.32 3.72 0.00 0.00 -0.02 -4.97 105.19 110.64 1bth n GLY 133 Ca 0.19 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.79 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 -2.92 3.69 0.18 1.61 1.51 -0.01 -4.66 117.35 116.75 1bth s TYR 134 Ca 0.00 1.70 -0.19 0.00 -1.01 0.00 0.00 57.07 57.57 1bth s TYR 134 Cb 0.00 -3.12 -0.08 0.00 -0.11 0.00 0.00 41.96 38.65 1bth s TYR 134 CO 0.00 -0.04 0.67 0.15 -1.11 0.00 0.00 175.55 175.22 1bth s LYS 135 N 0.63 4.23 0.33 -0.62 1.02 -1.26 -0.82 119.74 123.26 1bth s LYS 135 Ca 0.51 0.81 0.04 0.00 0.02 0.00 0.00 55.97 57.35 1bth s LYS 135 Cb -0.23 -2.99 -0.06 0.00 -0.52 0.00 0.00 37.83 34.03 1bth s LYS 135 CO 0.29 0.47 0.05 0.20 -0.92 0.00 0.00 175.35 175.44 1bth s GLY 136 N -1.52 2.08 -0.06 -3.33 0.00 0.55 -4.83 107.32 100.22 1bth s GLY 136 Ca 0.39 -2.07 0.05 0.00 0.00 0.00 0.00 44.72 43.09 1bth s GLY 136 CO 0.21 -1.83 -0.19 -1.60 0.00 0.00 0.00 173.10 169.68 1bth s ARG 137 N -3.87 2.55 -0.08 2.90 3.52 1.00 -0.26 118.95 124.71 1bth s ARG 137 Ca 0.36 -0.80 0.04 0.00 -0.13 0.00 0.00 55.73 55.20 1bth s ARG 137 Cb 0.09 -2.29 0.00 0.00 -1.56 0.00 0.00 34.95 31.19 1bth s ARG 137 CO 0.15 0.49 -0.20 0.08 -0.81 0.00 0.00 175.30 175.02 1bth s VAL 138 N -0.41 1.70 0.10 7.11 1.01 -0.05 -0.85 120.40 129.01 1bth s VAL 138 Ca 0.04 -0.82 0.08 0.00 0.00 0.00 0.00 61.98 61.28 1bth s VAL 138 Cb -0.12 -1.48 -0.03 0.00 0.00 0.00 0.00 36.38 34.74 1bth s VAL 138 CO 0.02 0.48 -0.19 0.42 0.00 0.00 0.00 175.10 175.83 1bth s THR 139 N 0.38 1.60 0.00 3.92 -4.23 -1.25 -1.48 115.64 114.58 1bth s THR 139 Ca -0.15 -1.55 0.00 0.00 -1.18 0.00 0.00 61.69 58.81 1bth s THR 139 Cb -0.16 -1.50 0.00 0.00 1.34 0.00 0.00 72.50 72.17 1bth s THR 139 CO 0.06 -0.14 0.00 0.61 -0.54 0.00 0.00 174.62 174.62 1bth n GLY 140 N 1.00 0.17 0.40 3.99 0.00 -0.46 -4.57 105.19 105.73 1bth n GLY 140 Ca -0.19 -0.87 0.04 0.00 0.00 0.00 0.00 46.02 45.00 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 -0.06 0.21 -0.34 1.61 8.01 -1.26 -0.65 117.44 124.97 1bth n TRP 141 Ca 0.00 -0.33 -0.30 0.00 -1.31 0.00 0.00 57.50 55.56 1bth n TRP 141 Cb 0.00 -0.02 0.28 0.00 -2.01 0.00 0.00 31.31 29.56 1bth n TRP 141 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 1bth n GLY 142 N 0.29 -3.79 3.64 6.99 0.00 -1.26 -4.23 105.19 106.83 1bth n GLY 142 Ca 0.07 -1.32 -0.36 0.00 0.00 0.00 0.00 46.02 44.41 1bth n GLY 142 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1bth n ASN 143 N -5.64 0.92 0.00 1.61 3.02 0.10 -2.90 115.26 112.38 1bth n ASN 143 Ca 0.14 0.72 0.11 0.00 -0.03 0.00 0.00 54.58 55.52 1bth n ASN 143 Cb 0.58 -1.44 0.12 0.00 -0.61 0.00 0.00 39.78 38.44 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 -1.66 0.67 -3.73 3.41 4.77 -0.02 -0.34 117.00 120.10 1bth n LEU 144 Ca 0.14 -0.16 -0.13 0.00 -0.03 0.00 0.00 56.01 55.83 1bth n LEU 144 Cb 0.49 -0.17 -0.08 0.00 -2.33 0.00 0.00 43.42 41.34 1bth n LEU 144 CO 0.48 0.16 0.06 -0.54 -1.33 0.00 0.00 177.39 176.23 1bth s LYS 145 N -3.00 0.78 0.00 3.23 -0.14 -1.26 -4.41 119.74 114.93 1bth s LYS 145 Ca 0.10 -0.32 -0.31 0.00 -1.36 0.00 0.00 55.97 54.09 1bth s LYS 145 Cb 0.17 0.34 -0.09 0.00 -1.68 0.00 0.00 37.83 36.57 1bth s LYS 145 CO 0.76 -0.24 1.98 -1.91 -0.76 0.00 0.00 175.35 175.18 1bth n GLU 146 N 0.87 2.71 -3.73 1.68 2.13 -1.26 -4.91 120.64 118.12 1bth n GLU 146 Ca -0.20 0.98 -0.13 0.00 0.66 0.00 0.00 57.16 58.47 1bth n GLU 146 Cb 0.58 -2.97 -0.10 0.00 0.27 0.00 0.00 31.44 29.21 1bth n GLU 146 CO 0.00 0.00 0.00 0.99 -0.41 0.00 0.00 177.13 177.71 1bth s THR 147 N 4.70 -0.00 -0.42 6.31 2.01 -1.26 -4.97 115.64 122.01 1bth s THR 147 Ca 0.91 0.02 0.22 0.00 0.31 0.00 0.00 61.69 63.14 1bth s THR 147 Cb -0.47 -0.55 -0.27 0.00 0.01 0.00 0.00 72.50 71.23 1bth s THR 147 CO 0.43 0.01 0.70 0.79 -0.69 0.00 0.00 174.62 175.86 1bth n TRP 148 N 3.08 0.06 -1.29 4.92 8.01 -1.26 -4.98 117.44 125.99 1bth n TRP 148 Ca -0.15 0.02 -0.33 0.00 -1.31 0.00 0.00 57.50 55.73 1bth n TRP 148 Cb 0.57 -0.35 0.10 0.00 -2.01 0.00 0.00 31.31 29.63 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 -3.31 2.50 0.22 -0.99 2.01 -1.26 -5.29 115.64 109.52 1bth s THR 149 Ca -0.01 0.21 0.00 0.00 0.31 0.00 0.00 61.69 62.21 1bth s THR 149 Cb 0.15 -2.64 -0.05 0.00 0.01 0.00 0.00 72.50 69.97 1bth s THR 149 CO 0.88 -0.16 0.10 0.21 -0.69 0.00 0.00 174.62 174.95 1bth s ASN 149 N -2.42 0.79 0.28 3.53 3.84 -1.26 -5.15 114.94 114.56 1bth s ASN 149 Ca 0.70 -1.36 -0.29 0.00 0.21 0.00 0.00 52.86 52.12 1bth s ASN 149 Cb -0.25 0.24 -0.09 0.00 -0.55 0.00 0.00 41.25 40.60 1bth s ASN 149 CO 0.49 -0.75 1.04 0.68 -2.79 0.00 0.00 177.10 175.77 1bth s VAL 149 N -3.90 3.70 0.00 -5.21 -7.23 -1.26 -4.80 120.40 101.70 1bth s VAL 149 Ca 0.36 1.67 0.00 0.00 -1.81 0.00 0.00 61.98 62.20 1bth s VAL 149 Cb 0.07 -4.04 0.00 0.00 0.56 0.00 0.00 36.38 32.97 1bth s VAL 149 CO 0.12 0.36 0.00 0.61 -0.31 0.00 0.00 175.10 175.88 1bth n GLY 149 N 1.19 -0.88 3.78 2.32 0.00 -1.26 -4.85 105.19 105.48 1bth n GLY 149 Ca -0.01 -1.25 -0.29 0.00 0.00 0.00 0.00 46.02 44.47 1bth n GLY 149 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1bth s LYS 149 N 0.00 1.34 0.03 1.61 -0.14 -1.26 -5.02 119.74 116.29 1bth s LYS 149 Ca 0.00 0.41 0.00 0.00 -1.36 0.00 0.00 55.97 55.02 1bth s LYS 149 Cb 0.00 -1.85 0.00 0.00 -1.68 0.00 0.00 37.83 34.30 1bth s LYS 149 CO 0.00 -2.09 0.00 0.41 -0.76 0.00 0.00 175.35 172.91 1bth n GLY 150 N -2.07 -0.02 3.69 -3.33 0.00 -1.26 -4.87 105.19 97.33 1bth n GLY 150 Ca 0.07 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.81 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 -2.00 2.53 0.45 1.61 -0.21 -1.26 -0.84 119.66 119.93 1bth s GLN 151 Ca 0.00 -1.01 -0.12 0.00 0.02 0.00 0.00 55.36 54.25 1bth s GLN 151 Cb 0.00 -2.45 -0.06 0.00 1.00 0.00 0.00 33.01 31.50 1bth s GLN 151 CO 0.00 0.48 0.84 -1.25 -2.12 0.00 0.00 175.29 173.23 1bth s PRO 152 N -2.87 3.80 0.12 2.91 0.04 -1.26 -4.92 135.00 132.82 1bth s PRO 152 Ca 0.28 0.59 0.14 0.00 0.04 0.00 0.00 61.00 62.05 1bth s PRO 152 Cb -0.10 -2.31 -0.10 0.00 0.04 0.00 0.00 34.50 32.03 1bth s PRO 152 CO 0.19 -0.13 1.04 0.66 0.04 0.00 0.00 177.00 178.80 1bth h SER 153 N 1.02 0.00 -4.87 6.66 4.64 -1.95 -3.41 113.55 115.64 1bth h SER 153 Ca -0.47 0.00 -0.20 0.00 -0.47 0.00 0.00 61.79 60.65 1bth h SER 153 Cb 1.19 0.00 -0.18 0.00 -0.31 0.00 0.00 62.40 63.10 1bth h SER 153 CO 0.63 0.67 -0.70 0.68 -0.87 0.00 0.00 176.83 177.24 1bth s VAL 154 N -2.86 0.43 0.09 0.95 -7.23 -1.26 0.25 120.40 110.77 1bth s VAL 154 Ca -0.01 -1.49 -0.36 0.00 -1.81 0.00 0.00 61.98 58.31 1bth s VAL 154 Cb 0.08 -1.10 -0.17 0.00 0.56 0.00 0.00 36.38 35.75 1bth s VAL 154 CO 0.80 -0.71 1.15 -0.11 -0.31 0.00 0.00 175.10 175.92 1bth n LEU 155 N 0.69 0.89 -4.81 1.32 7.94 0.17 -4.80 117.00 118.41 1bth n LEU 155 Ca -0.18 1.14 -0.27 0.00 -1.11 0.00 0.00 56.01 55.59 1bth n LEU 155 Cb 0.58 -1.10 -0.05 0.00 0.53 0.00 0.00 43.42 43.38 1bth n LEU 155 CO 0.25 -1.52 -0.22 -1.10 -1.11 0.00 0.00 177.39 173.69 1bth s GLN 156 N -0.01 2.96 0.05 1.96 -1.52 0.18 -1.07 119.66 122.21 1bth s GLN 156 Ca 0.82 -0.79 0.04 0.00 -1.95 0.00 0.00 55.36 53.48 1bth s GLN 156 Cb -1.02 -2.71 -0.02 0.00 -0.22 0.00 0.00 33.01 29.04 1bth s GLN 156 CO 0.52 0.51 -0.11 0.54 -0.25 0.00 0.00 175.29 176.50 1bth s VAL 157 N -1.66 0.83 -0.18 1.09 0.11 0.50 -1.35 120.40 119.74 1bth s VAL 157 Ca 0.31 -1.08 -0.16 0.00 -2.93 0.00 0.00 61.98 58.12 1bth s VAL 157 Cb -0.11 -0.82 0.05 0.00 -1.53 0.00 0.00 36.38 33.97 1bth s VAL 157 CO 0.24 -0.22 0.48 0.54 -3.33 0.00 0.00 175.10 172.80 1bth s VAL 158 N -1.15 -0.00 -0.21 2.04 0.11 -0.55 -0.71 120.40 119.92 1bth s VAL 158 Ca -0.04 0.01 -0.04 0.00 -2.93 0.00 0.00 61.98 58.97 1bth s VAL 158 Cb -0.09 -0.67 -0.02 0.00 -1.53 0.00 0.00 36.38 34.07 1bth s VAL 158 CO 0.01 0.00 -0.03 0.20 -3.33 0.00 0.00 175.10 171.96 1bth s ASN 159 N 0.38 4.53 0.14 3.54 0.01 -1.26 -0.87 114.94 121.41 1bth s ASN 159 Ca -0.01 -0.30 0.09 0.00 -0.71 0.00 0.00 52.86 51.93 1bth s ASN 159 Cb -0.04 -1.77 -0.04 0.00 0.41 0.00 0.00 41.25 39.81 1bth s ASN 159 CO -0.01 0.03 -0.22 -0.76 -1.51 0.00 0.00 177.10 174.63 1bth s LEU 160 N 1.22 2.36 0.09 0.60 1.43 0.64 -4.88 118.68 120.14 1bth s LEU 160 Ca 0.03 -0.77 -0.15 0.00 -1.03 0.00 0.00 54.13 52.21 1bth s LEU 160 Cb -0.14 -0.96 -0.06 0.00 0.03 0.00 0.00 46.19 45.05 1bth s LEU 160 CO -0.00 0.06 0.51 -2.16 0.23 0.00 0.00 176.35 174.99 1bth s PRO 161 N -2.28 4.01 0.24 1.29 0.04 -1.26 -0.33 135.00 136.70 1bth s PRO 161 Ca 0.12 0.52 -0.30 0.00 0.04 0.00 0.00 61.00 61.38 1bth s PRO 161 Cb -0.09 -3.08 -0.10 0.00 0.04 0.00 0.00 34.50 31.28 1bth s PRO 161 CO 0.06 0.58 1.40 0.42 0.04 0.00 0.00 177.00 179.49 1bth s ILE 162 N -1.28 2.83 0.15 0.56 1.01 0.00 -0.54 121.20 123.93 1bth s ILE 162 Ca 0.32 0.70 0.05 0.00 0.00 0.00 0.00 60.65 61.71 1bth s ILE 162 Cb -0.17 -3.45 -0.04 0.00 0.01 0.00 0.00 42.46 38.82 1bth s ILE 162 CO 0.18 0.11 0.13 -0.69 0.00 0.00 0.00 174.94 174.67 1bth s VAL 163 N -0.00 4.53 0.29 2.92 1.01 -0.47 -0.84 120.40 127.84 1bth s VAL 163 Ca 0.58 -1.00 -0.30 0.00 0.00 0.00 0.00 61.98 61.26 1bth s VAL 163 Cb -0.40 -3.28 -0.11 0.00 0.00 0.00 0.00 36.38 32.58 1bth s VAL 163 CO 0.42 -0.06 1.59 -1.61 0.00 0.00 0.00 175.10 175.44 1bth s GLU 164 N -2.96 4.12 0.21 2.72 8.01 -1.26 -4.66 118.70 124.88 1bth s GLU 164 Ca 0.31 2.57 -0.16 0.00 0.01 0.00 0.00 54.97 57.70 1bth s GLU 164 Cb -0.11 -3.02 0.22 0.00 -4.31 0.00 0.00 34.13 26.91 1bth s GLU 164 CO 0.23 -0.62 1.60 -0.09 0.01 0.00 0.00 175.26 176.39 1bth h ARG 165 N 4.78 -0.07 -0.76 1.61 2.43 -1.97 -0.08 114.38 120.33 1bth h ARG 165 Ca -0.47 0.00 0.13 0.00 -0.81 0.00 0.00 59.98 58.83 1bth h ARG 165 Cb 1.22 0.02 -0.09 0.00 -0.42 0.00 0.00 29.97 30.70 1bth h ARG 165 CO 0.79 -0.05 0.35 -1.35 -1.51 0.00 0.00 179.97 178.20 1bth h PRO 166 N -0.07 0.52 -0.76 0.20 0.11 -1.99 0.18 132.00 130.20 1bth h PRO 166 Ca 0.30 -0.03 -0.05 0.00 0.11 0.00 0.00 66.00 66.33 1bth h PRO 166 Cb 0.54 -0.12 -0.03 0.00 0.11 0.00 0.00 31.00 31.50 1bth h PRO 166 CO -0.73 0.35 0.27 0.28 -0.21 0.00 0.00 178.00 177.96 1bth h VAL 167 N 0.54 1.26 -0.03 3.15 2.07 -1.41 0.56 116.25 122.39 1bth h VAL 167 Ca 0.40 -0.86 -0.00 0.00 0.82 0.00 0.00 66.70 67.07 1bth h VAL 167 Cb 0.55 0.39 -0.00 0.00 -1.52 0.00 0.00 31.29 30.71 1bth h VAL 167 CO -0.35 0.34 0.01 0.00 0.02 0.00 0.00 177.57 177.60 1bth h LYS 169 N -0.07 0.07 -0.04 0.00 3.64 -0.38 -0.94 116.57 118.83 1bth h LYS 169 Ca 0.01 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.39 1bth h LYS 169 Cb 0.12 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 31.92 1bth h LYS 169 CO -0.00 0.04 0.00 -0.25 -2.27 0.00 0.00 179.45 176.97 1bth n ASP 170 N -5.28 0.41 -0.25 4.20 8.00 0.16 -3.63 116.55 120.16 1bth n ASP 170 Ca 0.05 -1.54 0.11 0.00 0.71 0.00 0.00 54.79 54.12 1bth n ASP 170 Cb 0.27 -0.03 0.02 0.00 -0.02 0.00 0.00 41.12 41.36 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 -0.49 1.42 -3.75 -2.24 3.41 -0.36 -4.99 113.62 106.62 1bth n SER 171 Ca 0.13 -1.15 -0.10 0.00 -0.26 0.00 0.00 58.87 57.49 1bth n SER 171 Cb 0.12 0.60 -0.06 0.00 -0.26 0.00 0.00 64.21 64.61 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 -2.71 0.10 -0.67 6.66 -1.32 -1.24 -4.84 115.64 111.63 1bth s THR 172 Ca 0.15 -0.84 0.24 0.00 -1.21 0.00 0.00 61.69 60.03 1bth s THR 172 Cb 0.17 -1.20 0.00 0.00 -1.51 0.00 0.00 72.50 69.97 1bth s THR 172 CO 0.68 -0.46 1.25 0.54 -2.21 0.00 0.00 174.62 174.42 1bth n ARG 173 N -0.01 0.26 -2.52 7.08 1.74 -1.26 -4.86 116.66 117.09 1bth n ARG 173 Ca -0.16 0.05 -0.41 0.00 -0.77 0.00 0.00 57.85 56.56 1bth n ARG 173 Cb 0.62 -1.64 -0.04 0.00 -1.02 0.00 0.00 32.46 30.38 1bth n ARG 173 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 1bth s ILE 174 N -3.16 4.06 -0.46 0.55 1.01 -1.26 -4.96 121.20 116.98 1bth s ILE 174 Ca 0.06 1.63 -0.28 0.00 0.00 0.00 0.00 60.65 62.06 1bth s ILE 174 Cb 0.14 -4.04 0.01 0.00 0.01 0.00 0.00 42.46 38.57 1bth s ILE 174 CO 0.74 0.22 1.48 -0.13 0.00 0.00 0.00 174.94 177.24 1bth s ARG 175 N 0.24 3.41 0.54 2.79 1.81 -1.26 -5.00 118.95 121.48 1bth s ARG 175 Ca 0.52 0.83 -0.13 0.00 -1.72 0.00 0.00 55.73 55.23 1bth s ARG 175 Cb -0.28 -4.09 -0.06 0.00 -0.45 0.00 0.00 34.95 30.07 1bth s ARG 175 CO 0.32 -1.77 0.96 0.96 -0.68 0.00 0.00 175.30 175.09 1bth s ILE 176 N 5.98 4.66 0.28 1.52 -4.36 -1.26 -4.88 121.20 123.13 1bth s ILE 176 Ca 0.61 0.94 0.07 0.00 -0.26 0.00 0.00 60.65 62.00 1bth s ILE 176 Cb -0.14 -3.79 -0.06 0.00 1.25 0.00 0.00 42.46 39.73 1bth s ILE 176 CO 0.30 -0.85 -0.06 0.42 0.24 0.00 0.00 174.94 174.99 1bth s THR 177 N -2.81 1.65 0.48 8.37 -4.23 -1.26 -5.01 115.64 112.82 1bth s THR 177 Ca 0.56 -2.13 0.32 0.00 -1.18 0.00 0.00 61.69 59.26 1bth s THR 177 Cb -0.10 -2.44 0.32 0.00 1.34 0.00 0.00 72.50 71.62 1bth s THR 177 CO 0.41 -0.31 1.98 0.44 -0.54 0.00 0.00 174.62 176.60 1bth h ASP 178 N 2.29 0.00 -0.03 3.99 3.32 -2.03 -0.19 116.42 123.78 1bth h ASP 178 Ca -0.40 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.65 1bth h ASP 178 Cb 1.23 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.78 1bth h ASP 178 CO 0.67 0.00 0.00 0.59 -1.72 0.00 0.00 179.24 178.78 1bth n ASN 179 N -2.77 0.28 -4.12 6.45 3.02 -1.26 -4.82 115.26 112.03 1bth n ASN 179 Ca -0.02 -1.49 -0.10 0.00 -0.03 0.00 0.00 54.58 52.93 1bth n ASN 179 Cb 0.22 -0.02 -0.10 0.00 -0.61 0.00 0.00 39.78 39.27 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 -1.96 0.70 0.13 3.52 0.23 -0.08 0.82 119.30 122.66 1bth s MET 180 Ca 0.27 -1.14 -0.00 0.00 -1.03 0.00 0.00 55.69 53.79 1bth s MET 180 Cb 0.13 -0.14 -0.04 0.00 -1.53 0.00 0.00 34.83 33.25 1bth s MET 180 CO 0.21 -0.02 0.04 -0.59 -2.03 0.00 0.00 175.02 172.63 1bth s PHE 181 N -3.03 0.92 0.14 3.16 -0.12 -0.05 -4.78 117.98 114.21 1bth s PHE 181 Ca 0.04 -1.17 0.10 0.00 -0.05 0.00 0.00 56.93 55.85 1bth s PHE 181 Cb 0.01 -0.52 -0.04 0.00 -0.63 0.00 0.00 43.02 41.84 1bth s PHE 181 CO -0.04 -0.44 -0.23 0.00 -0.05 0.00 0.00 175.22 174.46 1bth s ALA 183 N -1.37 0.53 0.00 0.00 0.00 -0.68 -1.37 121.76 118.86 1bth s ALA 183 Ca 0.13 -1.31 0.00 0.00 0.00 0.00 0.00 51.96 50.78 1bth s ALA 183 Cb -0.09 1.20 0.00 0.00 0.00 0.00 0.00 23.12 24.23 1bth s ALA 183 CO 0.06 -0.69 0.00 0.41 0.00 0.00 0.00 175.76 175.55 1bth n GLY 184 N -0.30 3.31 3.87 0.00 0.00 0.29 -2.69 105.19 109.68 1bth n GLY 184 Ca -0.01 -1.89 -0.30 0.00 0.00 0.00 0.00 46.02 43.83 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 -2.37 3.53 0.42 1.61 2.02 -1.26 -4.39 117.35 116.92 1bth s TYR 184 Ca 0.00 1.17 -0.03 0.00 -0.37 0.00 0.00 57.07 57.84 1bth s TYR 184 Cb 0.00 -2.58 -0.04 0.00 -0.40 0.00 0.00 41.96 38.94 1bth s TYR 184 CO 0.00 -0.38 0.69 0.15 -1.57 0.00 0.00 175.55 174.44 1bth s LYS 185 N -4.50 3.53 0.28 -0.62 1.02 -1.26 -4.79 119.74 113.40 1bth s LYS 185 Ca 0.53 0.02 0.01 0.00 0.02 0.00 0.00 55.97 56.55 1bth s LYS 185 Cb -0.10 -2.49 0.63 0.00 -0.52 0.00 0.00 37.83 35.35 1bth s LYS 185 CO 0.41 -0.06 1.72 -1.35 -0.92 0.00 0.00 175.35 175.15 1bth h PRO 186 N 0.50 0.45 0.00 -1.68 0.11 -1.94 -1.96 132.00 127.47 1bth h PRO 186 Ca -0.48 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.60 1bth h PRO 186 Cb 1.21 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.22 1bth h PRO 186 CO 0.62 0.30 0.00 0.38 -0.21 0.00 0.00 178.00 179.09 1bth h ASP 186 N 0.46 0.00 0.00 -2.05 2.03 -1.96 -3.31 116.42 111.59 1bth h ASP 186 Ca 0.51 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.81 1bth h ASP 186 Cb 0.88 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.38 1bth h ASP 186 CO -0.47 0.00 0.00 -0.62 -1.03 0.00 0.00 179.24 177.12 1bth n GLU 186 N -2.50 0.75 -4.31 4.15 1.02 -0.74 -4.90 120.64 114.12 1bth n GLU 186 Ca 0.02 0.00 -0.35 0.00 -0.02 0.00 0.00 57.16 56.82 1bth n GLU 186 Cb 0.30 -1.14 -0.07 0.00 -0.02 0.00 0.00 31.44 30.51 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 0.32 -0.27 3.55 0.62 0.00 -1.25 -4.92 105.19 103.24 1bth n GLY 186 Ca 0.05 0.13 -0.14 0.00 0.00 0.00 0.00 46.02 46.06 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 -7.14 0.81 0.40 1.61 1.02 -1.26 -5.18 119.74 110.00 1bth s LYS 186 Ca 0.38 0.80 0.06 0.00 0.02 0.00 0.00 55.97 57.22 1bth s LYS 186 Cb -0.21 0.39 -0.07 0.00 -0.52 0.00 0.00 37.83 37.42 1bth s LYS 186 CO 0.98 -0.13 0.02 1.03 -0.92 0.00 0.00 175.35 176.33 1bth s ARG 187 N 0.09 1.91 0.00 1.68 0.52 -1.26 -4.70 118.95 117.20 1bth s ARG 187 Ca -0.02 -2.10 0.00 0.00 -0.52 0.00 0.00 55.73 53.09 1bth s ARG 187 Cb -0.04 -1.42 0.00 0.00 0.52 0.00 0.00 34.95 34.01 1bth s ARG 187 CO 0.02 -0.13 0.00 0.41 0.02 0.00 0.00 175.30 175.63 1bth n GLY 188 N -0.93 4.31 3.62 -3.53 0.00 -1.26 -4.85 105.19 102.54 1bth n GLY 188 Ca -0.06 -0.47 -0.05 0.00 0.00 0.00 0.00 46.02 45.44 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 -0.23 0.29 1.61 2.15 -0.57 -4.70 116.67 115.22 1bth s ASP 189 Ca 0.00 -0.16 -0.09 0.00 0.43 0.00 0.00 52.55 52.73 1bth s ASP 189 Cb 0.00 0.37 -0.07 0.00 -0.30 0.00 0.00 42.92 42.92 1bth s ASP 189 CO 0.00 -0.63 0.62 0.00 -0.17 0.00 0.00 175.17 174.98 1bth s ALA 190 N -3.01 3.51 0.34 3.66 0.00 -1.26 0.77 121.76 125.76 1bth s ALA 190 Ca 0.09 -0.30 0.01 0.00 0.00 0.00 0.00 51.96 51.76 1bth s ALA 190 Cb -0.00 -2.49 -0.01 0.00 0.00 0.00 0.00 23.12 20.61 1bth s ALA 190 CO -0.04 0.31 0.41 0.00 0.00 0.00 0.00 175.76 176.43 1bth n GLN 192 N -0.58 0.69 0.00 0.00 3.00 -1.26 -0.72 117.38 118.51 1bth n GLN 192 Ca 0.03 0.25 0.00 0.00 -0.01 0.00 0.00 57.00 57.27 1bth n GLN 192 Cb 0.62 -1.86 0.00 0.00 0.00 0.00 0.00 30.24 28.99 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 4.10 2.16 0.10 1.08 0.00 -1.26 0.03 105.19 111.40 1bth n GLY 193 Ca 0.28 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.28 1bth n GLY 193 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1bth h ASP 194 N 0.40 0.00 -1.56 1.61 3.32 -1.22 -3.29 116.42 115.68 1bth h ASP 194 Ca 0.00 0.00 -0.64 0.00 0.02 0.00 0.00 57.03 56.41 1bth h ASP 194 Cb 0.00 0.00 0.14 0.00 0.22 0.00 0.00 39.33 39.69 1bth h ASP 194 CO 0.00 0.72 -0.72 -1.20 -1.72 0.00 0.00 179.24 176.32 1bth n SER 195 N -3.20 -1.99 0.00 6.45 7.64 -1.26 -1.17 113.62 120.09 1bth n SER 195 Ca -0.02 0.94 0.00 0.00 1.01 0.00 0.00 58.87 60.80 1bth n SER 195 Cb 0.84 -0.94 0.00 0.00 -1.01 0.00 0.00 64.21 63.10 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 2.13 2.81 3.64 0.23 0.00 0.26 0.44 105.19 114.71 1bth n GLY 196 Ca 0.13 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.85 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 -1.18 1.66 0.30 -0.02 0.00 -0.32 -3.44 107.32 104.34 1bth s GLY 197 Ca 0.00 0.48 -0.17 0.00 0.00 0.00 0.00 44.72 45.04 1bth s GLY 197 CO 0.00 0.96 0.75 2.56 0.00 0.00 0.00 173.10 177.37 1bth s PRO 198 N -4.60 4.10 -0.32 2.90 0.04 -1.26 -1.24 135.00 134.61 1bth s PRO 198 Ca 0.67 0.77 -0.02 0.00 0.04 0.00 0.00 61.00 62.47 1bth s PRO 198 Cb -0.23 -2.54 0.06 0.00 0.04 0.00 0.00 34.50 31.83 1bth s PRO 198 CO 0.59 0.21 0.04 0.12 0.04 0.00 0.00 177.00 178.00 1bth s PHE 199 N -1.87 3.35 0.26 0.56 5.36 0.47 -3.76 117.98 122.35 1bth s PHE 199 Ca 0.52 -2.03 0.10 0.00 -0.96 0.00 0.00 56.93 54.56 1bth s PHE 199 Cb -0.12 -2.36 -0.04 0.00 -0.34 0.00 0.00 43.02 40.15 1bth s PHE 199 CO 0.18 -0.84 -0.08 0.14 -1.46 0.00 0.00 175.22 173.16 1bth s VAL 200 N 1.22 3.11 0.01 3.12 -7.23 -0.03 -0.99 120.40 119.60 1bth s VAL 200 Ca -0.02 -2.03 0.01 0.00 -1.81 0.00 0.00 61.98 58.12 1bth s VAL 200 Cb -0.20 -2.64 -0.01 0.00 0.56 0.00 0.00 36.38 34.09 1bth s VAL 200 CO -0.02 -0.35 -0.03 -0.04 -0.31 0.00 0.00 175.10 174.35 1bth s MET 201 N -3.51 0.24 -0.25 4.82 -1.94 -0.49 -0.00 119.30 118.18 1bth s MET 201 Ca 0.30 -0.26 -0.11 0.00 -1.71 0.00 0.00 55.69 53.91 1bth s MET 201 Cb -0.06 -0.13 -0.05 0.00 2.01 0.00 0.00 34.83 36.60 1bth s MET 201 CO 0.18 0.03 0.19 0.21 -0.01 0.00 0.00 175.02 175.61 1bth s LYS 202 N -0.50 4.03 -0.04 2.03 2.20 -1.26 -0.91 119.74 125.29 1bth s LYS 202 Ca -0.04 -0.25 -0.30 0.00 -0.36 0.00 0.00 55.97 55.02 1bth s LYS 202 Cb -0.04 -3.58 -0.05 0.00 -1.51 0.00 0.00 37.83 32.65 1bth s LYS 202 CO -0.00 -0.03 1.51 0.45 -0.36 0.00 0.00 175.35 176.91 1bth s SER 203 N 1.31 6.76 0.00 1.43 0.15 -0.53 -4.87 113.70 117.95 1bth s SER 203 Ca 0.08 2.14 0.14 0.00 0.70 0.00 0.00 55.95 59.01 1bth s SER 203 Cb -0.14 -2.55 0.86 0.00 -1.71 0.00 0.00 66.02 62.48 1bth s SER 203 CO 0.07 -0.83 1.42 -0.81 1.20 0.00 0.00 173.24 174.30 1bth n PRO 204 N 6.30 0.82 -0.09 5.44 -0.04 -1.26 -1.62 135.00 144.54 1bth n PRO 204 Ca 0.15 0.00 -0.12 0.00 -0.04 0.00 0.00 63.50 63.49 1bth n PRO 204 Cb 0.43 -1.28 -0.10 0.00 -0.04 0.00 0.00 33.50 32.51 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 -0.78 0.00 -0.05 0.54 3.72 -1.26 -4.74 117.46 114.90 1bth n PHE 204 Ca 0.11 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.51 1bth n PHE 204 Cb 0.05 -0.78 0.00 0.00 -0.94 0.00 0.00 39.48 37.81 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 -2.94 0.89 0.00 4.37 0.23 -1.22 -5.02 115.26 111.57 1bth n ASN 204 Ca -0.33 -0.97 0.00 0.00 -0.53 0.00 0.00 54.58 52.75 1bth n ASN 204 Cb 0.92 0.05 0.00 0.00 -2.08 0.00 0.00 39.78 38.68 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 -0.05 -3.85 -4.89 0.53 5.15 -0.64 -5.00 115.26 106.50 1bth n ASN 205 Ca 0.00 0.00 -0.35 0.00 -0.60 0.00 0.00 54.58 53.63 1bth n ASN 205 Cb 0.01 -1.66 -0.05 0.00 -0.53 0.00 0.00 39.78 37.55 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 -0.78 3.46 -0.03 1.20 0.52 -1.26 -4.84 118.95 117.22 1bth s ARG 206 Ca 0.00 -0.23 -0.21 0.00 -0.52 0.00 0.00 55.73 54.77 1bth s ARG 206 Cb 0.00 -3.13 -0.05 0.00 0.52 0.00 0.00 34.95 32.29 1bth s ARG 206 CO 0.00 0.71 0.62 -1.58 0.02 0.00 0.00 175.30 175.07 1bth s TRP 207 N -1.22 3.64 0.03 -0.53 0.52 -1.26 -1.45 118.94 118.67 1bth s TRP 207 Ca 0.23 1.19 0.08 0.00 0.02 0.00 0.00 56.10 57.62 1bth s TRP 207 Cb -0.12 -2.66 -0.02 0.00 -1.15 0.00 0.00 33.47 29.51 1bth s TRP 207 CO 0.13 0.26 -0.24 0.71 0.02 0.00 0.00 176.95 177.83 1bth s TYR 208 N 0.17 2.13 -0.38 -1.98 2.02 -0.09 -2.13 117.35 117.08 1bth s TYR 208 Ca 0.32 -0.40 -0.19 0.00 -0.37 0.00 0.00 57.07 56.44 1bth s TYR 208 Cb -0.18 -1.30 0.01 0.00 -0.40 0.00 0.00 41.96 40.09 1bth s TYR 208 CO 0.17 0.07 0.55 -1.14 -1.57 0.00 0.00 175.55 173.63 1bth s GLN 209 N -1.03 3.49 -0.11 -0.62 0.74 0.35 -1.39 119.66 121.08 1bth s GLN 209 Ca 0.10 -0.26 0.19 0.00 0.05 0.00 0.00 55.36 55.44 1bth s GLN 209 Cb -0.09 -3.86 -0.27 0.00 1.10 0.00 0.00 33.01 29.89 1bth s GLN 209 CO 0.01 -0.76 0.30 -1.33 -0.55 0.00 0.00 175.29 172.96 1bth n MET 210 N 5.88 0.67 -3.99 1.67 2.81 -0.16 -4.02 117.12 119.97 1bth n MET 210 Ca -0.04 -0.05 -0.09 0.00 -1.81 0.00 0.00 57.70 55.70 1bth n MET 210 Cb 0.48 -1.55 -0.06 0.00 -0.71 0.00 0.00 33.22 31.39 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 -5.06 0.55 -0.10 3.03 0.00 -0.87 -2.18 107.32 102.70 1bth s GLY 211 Ca -0.09 -0.90 0.01 0.00 0.00 0.00 0.00 44.72 43.75 1bth s GLY 211 CO 0.86 -0.68 -0.12 -0.42 0.00 0.00 0.00 173.10 172.73 1bth s ILE 212 N -4.01 1.28 0.18 0.90 1.01 -1.03 -0.39 121.20 119.14 1bth s ILE 212 Ca 0.22 -0.51 -0.33 0.00 0.00 0.00 0.00 60.65 60.03 1bth s ILE 212 Cb 0.00 -1.20 -0.14 0.00 0.01 0.00 0.00 42.46 41.13 1bth s ILE 212 CO 0.07 0.40 1.46 0.52 0.00 0.00 0.00 174.94 177.39 1bth n VAL 213 N 4.29 0.39 0.06 2.92 0.31 -0.38 -1.43 118.33 124.50 1bth n VAL 213 Ca -0.19 -0.10 0.00 0.00 -0.01 0.00 0.00 64.34 64.05 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 2.76 0.22 -3.61 4.52 2.88 -1.06 -0.57 113.62 118.76 1bth n SER 214 Ca 0.15 0.19 -0.10 0.00 -1.33 0.00 0.00 58.87 57.78 1bth n SER 214 Cb 0.28 0.05 -0.03 0.00 -0.75 0.00 0.00 64.21 63.76 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 -1.56 0.41 0.00 0.66 1.48 -1.09 -4.88 118.94 113.96 1bth s TRP 215 Ca 0.00 -0.82 0.00 0.00 -1.06 0.00 0.00 56.10 54.22 1bth s TRP 215 Cb 0.00 0.31 0.00 0.00 -1.16 0.00 0.00 33.47 32.62 1bth s TRP 215 CO 0.00 -1.16 0.00 0.41 -4.06 0.00 0.00 176.95 172.14 1bth n GLY 216 N -0.46 1.88 3.54 3.67 0.00 -1.26 -0.69 105.19 111.86 1bth n GLY 216 Ca -0.03 -0.24 -0.41 0.00 0.00 0.00 0.00 46.02 45.35 1bth n GLY 216 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1bth s GLU 217 N -1.64 3.47 0.65 1.61 2.02 -1.26 -4.83 118.70 118.72 1bth s GLU 217 Ca 0.00 -0.96 0.00 0.00 0.02 0.00 0.00 54.97 54.03 1bth s GLU 217 Cb 0.00 -4.96 0.00 0.00 0.10 0.00 0.00 34.13 29.27 1bth s GLU 217 CO 0.00 -2.12 0.00 0.41 0.02 0.00 0.00 175.26 173.57 1bth n GLY 219 N 6.27 -1.84 2.72 -1.39 0.00 -1.26 -4.81 105.19 104.88 1bth n GLY 219 Ca 0.23 -1.72 -0.22 0.00 0.00 0.00 0.00 46.02 44.31 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 5.21 -3.99 -4.89 0.00 2.03 -1.26 -4.55 116.55 109.10 1bth n ASP 221 Ca -0.06 -0.44 -0.31 0.00 0.52 0.00 0.00 54.79 54.49 1bth n ASP 221 Cb 0.50 -4.05 -0.05 0.00 -0.72 0.00 0.00 41.12 36.80 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 -5.62 3.69 0.09 -0.67 0.52 -1.26 -4.94 118.95 110.76 1bth s ARG 221 Ca 0.27 0.05 -0.31 0.00 -0.52 0.00 0.00 55.73 55.22 1bth s ARG 221 Cb -0.12 -2.76 -0.07 0.00 0.52 0.00 0.00 34.95 32.52 1bth s ARG 221 CO 0.57 0.40 1.26 -0.51 0.02 0.00 0.00 175.30 177.03 1bth s ASP 222 N -2.45 7.00 0.00 0.23 1.01 -1.26 -2.64 116.67 118.56 1bth s ASP 222 Ca 0.44 2.14 0.00 0.00 0.71 0.00 0.00 52.55 55.84 1bth s ASP 222 Cb -0.12 -2.58 0.00 0.00 1.01 0.00 0.00 42.92 41.23 1bth s ASP 222 CO 0.24 -0.51 0.00 0.61 0.21 0.00 0.00 175.17 175.71 1bth n GLY 223 N 3.16 1.52 3.61 0.21 0.00 -1.26 -5.01 105.19 107.43 1bth n GLY 223 Ca 0.09 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.84 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 -0.22 2.22 0.06 1.61 -0.14 -1.08 -4.82 119.74 117.37 1bth s LYS 224 Ca 0.00 -1.17 0.00 0.00 -1.36 0.00 0.00 55.97 53.44 1bth s LYS 224 Cb 0.00 -2.26 -0.04 0.00 -1.68 0.00 0.00 37.83 33.85 1bth s LYS 224 CO 0.00 0.45 -0.05 0.71 -0.76 0.00 0.00 175.35 175.70 1bth s TYR 225 N -1.67 0.61 0.10 3.18 1.51 -1.26 -4.65 117.35 115.16 1bth s TYR 225 Ca 0.26 -0.86 -0.17 0.00 -1.01 0.00 0.00 57.07 55.29 1bth s TYR 225 Cb -0.09 -0.40 -0.07 0.00 -0.11 0.00 0.00 41.96 41.29 1bth s TYR 225 CO 0.17 -0.24 0.56 0.20 -1.11 0.00 0.00 175.55 175.12 1bth s GLY 226 N -2.54 2.59 -0.11 0.71 0.00 -1.09 -4.54 107.32 102.33 1bth s GLY 226 Ca 0.02 -0.03 -0.03 0.00 0.00 0.00 0.00 44.72 44.68 1bth s GLY 226 CO -0.06 0.34 0.02 -1.36 0.00 0.00 0.00 173.10 172.05 1bth s PHE 227 N -1.23 3.20 0.08 1.90 0.40 0.13 -1.69 117.98 120.76 1bth s PHE 227 Ca 0.32 0.15 0.08 0.00 -0.60 0.00 0.00 56.93 56.88 1bth s PHE 227 Cb -0.18 -1.87 -0.03 0.00 0.51 0.00 0.00 43.02 41.45 1bth s PHE 227 CO 0.19 0.39 -0.23 0.71 0.70 0.00 0.00 175.22 176.98 1bth s TYR 228 N -0.55 1.96 0.06 0.36 1.51 0.78 -2.55 117.35 118.92 1bth s TYR 228 Ca 0.10 -0.39 -0.31 0.00 -1.01 0.00 0.00 57.07 55.46 1bth s TYR 228 Cb -0.12 -1.12 -0.06 0.00 -0.11 0.00 0.00 41.96 40.55 1bth s TYR 228 CO 0.02 0.17 1.20 0.99 -1.11 0.00 0.00 175.55 176.83 1bth s THR 229 N -0.95 4.01 -0.72 -0.71 2.01 -0.52 -0.88 115.64 117.89 1bth s THR 229 Ca 0.09 1.44 -0.26 0.00 0.31 0.00 0.00 61.69 63.27 1bth s THR 229 Cb -0.10 -3.92 0.00 0.00 0.01 0.00 0.00 72.50 68.49 1bth s THR 229 CO 0.03 0.11 1.59 -2.28 -0.69 0.00 0.00 174.62 173.38 1bth s HIS 230 N 1.06 2.00 0.21 4.92 2.46 0.24 -2.45 115.29 123.73 1bth s HIS 230 Ca 0.59 0.30 -0.10 0.00 0.47 0.00 0.00 55.06 56.32 1bth s HIS 230 Cb -0.30 -4.36 0.16 0.00 -0.13 0.00 0.00 32.58 27.96 1bth s HIS 230 CO 0.29 -2.14 1.87 0.28 -2.47 0.00 0.00 174.74 172.57 1bth h VAL 231 N 6.54 1.21 -0.54 0.89 2.07 -1.74 -2.83 116.25 121.86 1bth h VAL 231 Ca -0.21 -0.42 0.02 0.00 0.82 0.00 0.00 66.70 66.91 1bth h VAL 231 Cb 1.09 0.10 -0.03 0.00 -1.52 0.00 0.00 31.29 30.92 1bth h VAL 231 CO 1.26 0.21 0.33 0.15 0.02 0.00 0.00 177.57 179.54 1bth h PHE 232 N 1.06 0.62 0.00 1.57 3.57 -1.85 0.91 116.94 122.82 1bth h PHE 232 Ca 0.28 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.80 1bth h PHE 232 Cb -0.08 -0.20 0.00 0.00 2.79 0.00 0.00 35.95 38.46 1bth h PHE 232 CO -0.01 0.36 0.00 0.00 -2.23 0.00 0.00 178.31 176.42 1bth h ARG 233 N 0.66 0.00 -0.02 1.11 3.08 -1.87 -2.38 114.38 114.96 1bth h ARG 233 Ca 0.21 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.26 1bth h ARG 233 Cb 0.01 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.06 1bth h ARG 233 CO -0.09 0.00 -0.18 1.28 -1.07 0.00 0.00 179.97 179.91 1bth n LEU 234 N -2.42 1.98 -0.34 3.04 7.99 -0.55 -4.62 117.00 122.08 1bth n LEU 234 Ca 0.01 -0.87 0.24 0.00 -0.01 0.00 0.00 56.01 55.38 1bth n LEU 234 Cb 0.21 0.00 0.51 0.00 -0.11 0.00 0.00 43.42 44.03 1bth n LEU 234 CO 0.20 0.36 1.21 0.50 -1.51 0.00 0.00 177.39 178.15 1bth h LYS 235 N 2.48 0.36 -0.32 3.23 3.11 -0.31 -0.13 116.57 124.99 1bth h LYS 235 Ca 0.00 -0.02 -0.12 0.00 -2.81 0.00 0.00 60.65 57.70 1bth h LYS 235 Cb 0.62 -0.08 -0.01 0.00 -1.00 0.00 0.00 32.23 31.75 1bth h LYS 235 CO 0.00 0.24 -0.28 0.87 -2.81 0.00 0.00 179.45 177.46 1bth h LYS 236 N 0.37 0.66 -0.30 1.90 1.79 -1.82 -1.74 116.57 117.43 1bth h LYS 236 Ca 0.63 -0.28 -0.09 0.00 -2.18 0.00 0.00 60.65 58.73 1bth h LYS 236 Cb 1.62 -0.02 -0.01 0.00 -1.58 0.00 0.00 32.23 32.24 1bth h LYS 236 CO -0.34 0.87 -0.17 2.35 -1.08 0.00 0.00 179.45 181.08 1bth h TRP 237 N 0.57 0.74 -0.42 -1.35 7.01 -1.37 -0.28 115.95 120.83 1bth h TRP 237 Ca 0.07 -0.19 0.08 0.00 2.11 0.00 0.00 58.89 60.96 1bth h TRP 237 Cb 0.77 -0.17 -0.07 0.00 -2.10 0.00 0.00 29.16 27.60 1bth h TRP 237 CO 0.03 0.88 0.02 0.82 -2.79 0.00 0.00 178.44 177.40 1bth h ILE 238 N 0.39 0.70 -0.03 2.65 2.04 -1.24 0.13 117.51 122.14 1bth h ILE 238 Ca 0.06 -0.04 -0.00 0.00 1.00 0.00 0.00 64.86 65.88 1bth h ILE 238 Cb 0.70 0.55 -0.00 0.00 -0.74 0.00 0.00 36.82 37.33 1bth h ILE 238 CO 0.05 0.02 0.01 1.56 0.00 0.00 0.00 178.15 179.79 1bth h GLN 239 N 0.13 0.05 -0.31 2.37 4.20 -1.20 -0.81 115.11 119.54 1bth h GLN 239 Ca 0.21 -0.01 0.06 0.00 0.06 0.00 0.00 58.65 58.96 1bth h GLN 239 Cb 0.30 -0.01 -0.05 0.00 0.30 0.00 0.00 27.48 28.02 1bth h GLN 239 CO -0.33 0.26 -0.02 -0.22 -0.67 0.00 0.00 178.83 177.85 1bth h LYS 240 N -0.16 0.07 -0.00 1.46 3.64 -0.59 -2.99 116.57 117.99 1bth h LYS 240 Ca 0.01 -0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.39 1bth h LYS 240 Cb 0.23 -0.01 -0.00 0.00 -0.41 0.00 0.00 32.23 32.04 1bth h LYS 240 CO 0.00 0.04 0.00 0.28 -2.27 0.00 0.00 179.45 177.51 1bth h VAL 241 N 0.07 1.13 0.00 2.00 2.07 -0.92 -3.51 116.25 117.09 1bth h VAL 241 Ca 0.15 -0.40 0.00 0.00 0.82 0.00 0.00 66.70 67.28 1bth h VAL 241 Cb 0.21 1.39 0.00 0.00 -1.52 0.00 0.00 31.29 31.37 1bth h VAL 241 CO -0.27 0.10 0.00 -0.38 0.02 0.00 0.00 177.57 177.04