#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x8e s MET 1 N 0.00 3.31 -0.03 0.03 0.00 -1.26 -5.08 119.30 116.26 1x8e s MET 1 Ca 0.00 -0.58 -0.01 0.00 0.00 0.00 0.00 55.69 55.10 1x8e s MET 1 Cb 0.00 -3.89 -0.04 0.00 0.00 0.00 0.00 34.83 30.90 1x8e s MET 1 CO 0.00 -0.72 0.04 0.71 0.00 0.00 0.00 175.02 175.06 1x8e s TYR 2 N 2.12 3.22 0.48 4.11 4.12 -1.26 -5.12 117.35 125.03 1x8e s TYR 2 Ca 0.13 0.20 -0.22 0.00 0.02 0.00 0.00 57.07 57.19 1x8e s TYR 2 Cb -0.17 -1.75 -0.07 0.00 -1.52 0.00 0.00 41.96 38.45 1x8e s TYR 2 CO 0.13 0.52 1.13 0.15 0.02 0.00 0.00 175.55 177.50 1x8e s LYS 3 N -1.41 3.66 -0.05 -0.62 1.02 -1.26 -5.00 119.74 116.09 1x8e s LYS 3 Ca 0.19 1.67 -0.30 0.00 0.02 0.00 0.00 55.97 57.55 1x8e s LYS 3 Cb -0.12 -2.26 -0.03 0.00 -0.52 0.00 0.00 37.83 34.90 1x8e s LYS 3 CO 0.09 -0.61 1.19 -2.00 -0.92 0.00 0.00 175.35 173.10 1x8e s GLU 4 N -2.92 4.37 0.76 1.68 2.56 -1.26 -5.04 118.70 118.85 1x8e s GLU 4 Ca 0.66 1.66 -0.13 0.00 0.00 0.00 0.00 54.97 57.17 1x8e s GLU 4 Cb -0.26 -3.54 0.06 0.00 2.00 0.00 0.00 34.13 32.39 1x8e s GLU 4 CO 0.30 -0.42 1.14 -2.14 -0.56 0.00 0.00 175.26 173.59 1x8e s PRO 5 N 2.09 2.09 0.18 4.30 0.02 -1.26 -5.07 135.00 137.35 1x8e s PRO 5 Ca 0.56 1.48 -0.19 0.00 0.02 0.00 0.00 61.00 62.87 1x8e s PRO 5 Cb -0.25 -1.85 0.04 0.00 0.02 0.00 0.00 34.50 32.46 1x8e s PRO 5 CO 0.22 -1.82 0.55 -0.59 -0.33 0.00 0.00 177.00 175.03 1x8e s PHE 6 N -2.43 -0.27 0.07 6.54 -0.71 -1.26 -5.16 117.98 114.76 1x8e s PHE 6 Ca 0.68 -0.04 0.01 0.00 -1.04 0.00 0.00 56.93 56.54 1x8e s PHE 6 Cb -0.23 0.46 -0.04 0.00 -1.21 0.00 0.00 43.02 42.00 1x8e s PHE 6 CO 0.50 -0.90 0.15 0.20 -1.34 0.00 0.00 175.22 173.83 1x8e s GLY 7 N -2.83 2.10 0.24 1.99 0.00 -1.26 -5.14 107.32 102.42 1x8e s GLY 7 Ca 0.06 -0.92 0.03 0.00 0.00 0.00 0.00 44.72 43.89 1x8e s GLY 7 CO -0.06 -0.90 0.01 -1.34 0.00 0.00 0.00 173.10 170.80 1x8e s VAL 8 N -1.47 1.00 -0.23 1.40 -7.23 -1.26 -5.14 120.40 107.47 1x8e s VAL 8 Ca 0.32 -2.03 -0.03 0.00 -1.81 0.00 0.00 61.98 58.44 1x8e s VAL 8 Cb -0.13 -2.40 0.01 0.00 0.56 0.00 0.00 36.38 34.43 1x8e s VAL 8 CO 0.25 -0.28 -0.05 -0.54 -0.31 0.00 0.00 175.10 174.17 1x8e s LYS 9 N -3.88 3.12 -0.18 4.82 1.02 -1.26 -5.07 119.74 118.32 1x8e s LYS 9 Ca 0.30 -0.79 -0.05 0.00 0.02 0.00 0.00 55.97 55.45 1x8e s LYS 9 Cb 0.06 -2.99 -0.03 0.00 -0.52 0.00 0.00 37.83 34.35 1x8e s LYS 9 CO 0.09 -0.29 -0.01 0.08 -0.92 0.00 0.00 175.35 174.30 1x8e s VAL 10 N 1.41 4.05 -0.14 3.17 1.01 -1.26 -3.04 120.40 125.60 1x8e s VAL 10 Ca 0.03 -0.29 -0.22 0.00 0.00 0.00 0.00 61.98 61.50 1x8e s VAL 10 Cb -0.15 -2.81 -0.03 0.00 0.00 0.00 0.00 36.38 33.39 1x8e s VAL 10 CO -0.04 0.46 0.66 -0.62 0.00 0.00 0.00 175.10 175.56 1x8e s ASP 11 N 0.61 6.82 0.00 3.32 -1.08 -1.18 -4.91 116.67 120.24 1x8e s ASP 11 Ca -0.01 0.99 0.27 0.00 -0.52 0.00 0.00 52.55 53.28 1x8e s ASP 11 Cb -0.14 -2.37 0.81 0.00 -1.46 0.00 0.00 42.92 39.76 1x8e s ASP 11 CO 0.02 -0.20 1.60 0.49 0.52 0.00 0.00 175.17 177.61 1x8e n PHE 12 N 4.44 0.00 -0.00 -5.34 3.01 -1.26 -1.09 117.46 117.21 1x8e n PHE 12 Ca -0.01 0.00 0.03 0.00 1.01 0.00 0.00 57.45 58.47 1x8e n PHE 12 Cb 0.50 -0.12 -0.12 0.00 -0.01 0.00 0.00 39.48 39.74 1x8e n PHE 12 CO 0.00 0.00 0.00 0.39 1.01 0.00 0.00 176.76 178.16 1x8e n GLU 13 N -0.60 0.65 0.00 -1.08 -0.58 -1.26 -4.51 120.64 113.25 1x8e n GLU 13 Ca 0.13 0.02 0.00 0.00 -0.42 0.00 0.00 57.16 56.89 1x8e n GLU 13 Cb 0.34 -1.65 0.00 0.00 -0.57 0.00 0.00 31.44 29.56 1x8e n GLU 13 CO 0.00 0.00 0.00 0.25 -0.48 0.00 0.00 177.13 176.90 1x8e n THR 14 N -2.62 0.00 0.00 2.62 -2.24 -1.20 -5.02 114.28 105.81 1x8e n THR 14 Ca -0.12 -0.36 0.00 0.00 -2.27 0.00 0.00 64.05 61.30 1x8e n THR 14 Cb 0.79 1.09 0.00 0.00 -2.10 0.00 0.00 70.33 70.11 1x8e n THR 14 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1x8e n GLY 15 N 0.48 2.43 3.62 3.38 0.00 -0.25 -4.88 105.19 109.97 1x8e n GLY 15 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 1x8e n GLY 15 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1x8e n ILE 16 N -0.53 0.48 -2.99 -0.61 5.41 -1.26 -4.60 119.36 115.25 1x8e n ILE 16 Ca 0.00 -0.37 -0.41 0.00 1.00 0.00 0.00 62.75 62.97 1x8e n ILE 16 Cb 0.00 -2.49 -0.05 0.00 -0.71 0.00 0.00 39.64 36.39 1x8e n ILE 16 CO 0.00 0.00 0.00 -0.63 0.00 0.00 0.00 176.55 175.92 1x8e s ILE 17 N 7.17 4.92 -0.20 1.39 1.01 -1.26 -3.11 121.20 131.11 1x8e s ILE 17 Ca 0.97 1.41 -0.38 0.00 0.00 0.00 0.00 60.65 62.66 1x8e s ILE 17 Cb -0.37 -4.05 -0.14 0.00 0.01 0.00 0.00 42.46 37.92 1x8e s ILE 17 CO 0.37 0.02 1.79 1.21 0.00 0.00 0.00 174.94 178.33 1x8e n GLU 18 N 5.50 1.54 -2.69 2.79 2.13 -1.17 -2.88 120.64 125.86 1x8e n GLU 18 Ca 0.02 0.57 -0.20 0.00 0.66 0.00 0.00 57.16 58.21 1x8e n GLU 18 Cb 0.49 -2.31 0.01 0.00 0.27 0.00 0.00 31.44 29.90 1x8e n GLU 18 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1x8e n GLY 19 N 4.25 -0.41 0.01 8.31 0.00 -1.26 -4.83 105.19 111.25 1x8e n GLY 19 Ca 0.25 -0.01 0.10 0.00 0.00 0.00 0.00 46.02 46.36 1x8e n GLY 19 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1x8e n ALA 20 N -2.75 3.43 -1.43 4.61 0.00 -1.14 -5.08 120.51 118.15 1x8e n ALA 20 Ca -0.16 -0.53 -0.00 0.00 0.00 0.00 0.00 53.44 52.75 1x8e n ALA 20 Cb 0.64 -0.73 -0.00 0.00 0.00 0.00 0.00 19.45 19.36 1x8e n ALA 20 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1x8e n LYS 21 N -1.97 -1.47 -2.50 0.00 4.76 -1.26 -3.33 118.16 112.38 1x8e n LYS 21 Ca -0.01 1.43 -0.36 0.00 -2.87 0.00 0.00 58.31 56.50 1x8e n LYS 21 Cb 0.47 -1.76 -0.03 0.00 -1.84 0.00 0.00 35.03 31.87 1x8e n LYS 21 CO 0.00 0.00 0.00 0.15 -1.37 0.00 0.00 177.40 176.18 1x8e s LYS 22 N -1.54 4.01 -0.08 1.97 1.02 -1.26 -3.17 119.74 120.69 1x8e s LYS 22 Ca -0.01 1.51 0.04 0.00 0.02 0.00 0.00 55.97 57.54 1x8e s LYS 22 Cb 0.00 -2.41 -0.01 0.00 -0.52 0.00 0.00 37.83 34.89 1x8e s LYS 22 CO 0.02 -0.27 -0.21 -1.12 -0.92 0.00 0.00 175.35 172.84 1x8e s SER 23 N -1.64 3.35 -0.21 2.83 0.01 -0.45 -4.95 113.70 112.64 1x8e s SER 23 Ca 0.61 -0.46 -0.02 0.00 1.31 0.00 0.00 55.95 57.39 1x8e s SER 23 Cb -0.22 -1.16 0.01 0.00 0.21 0.00 0.00 66.02 64.86 1x8e s SER 23 CO 0.27 0.21 -0.10 -0.69 0.41 0.00 0.00 173.24 173.34 1x8e s VAL 24 N 0.03 2.86 -0.31 3.43 1.01 -1.26 -1.36 120.40 124.80 1x8e s VAL 24 Ca -0.08 -0.74 -0.03 0.00 0.00 0.00 0.00 61.98 61.13 1x8e s VAL 24 Cb -0.15 -2.31 0.05 0.00 0.00 0.00 0.00 36.38 33.97 1x8e s VAL 24 CO 0.05 0.42 0.03 -0.13 0.00 0.00 0.00 175.10 175.47 1x8e s ARG 25 N 1.39 2.50 0.35 2.72 1.81 -0.79 -5.05 118.95 121.88 1x8e s ARG 25 Ca 0.04 -1.23 -0.00 0.00 -1.72 0.00 0.00 55.73 52.82 1x8e s ARG 25 Cb -0.14 -3.28 -0.03 0.00 -0.45 0.00 0.00 34.95 31.05 1x8e s ARG 25 CO -0.07 -0.63 0.56 -0.98 -0.68 0.00 0.00 175.30 173.50 1x8e s ARG 26 N 1.31 3.50 0.35 3.54 1.70 -1.26 -2.18 118.95 125.90 1x8e s ARG 26 Ca -0.04 -0.28 0.16 0.00 -0.47 0.00 0.00 55.73 55.10 1x8e s ARG 26 Cb -0.20 -2.64 1.14 0.00 -0.57 0.00 0.00 34.95 32.68 1x8e s ARG 26 CO 0.00 0.13 1.65 1.25 -1.08 0.00 0.00 175.30 177.25 1x8e h LEU 27 N 0.79 0.48 -2.71 -1.89 5.85 -1.55 0.28 115.31 116.57 1x8e h LEU 27 Ca -0.49 0.20 0.00 0.00 0.84 0.00 0.00 57.88 58.43 1x8e h LEU 27 Cb 1.22 0.16 0.00 0.00 0.37 0.00 0.00 40.66 42.40 1x8e h LEU 27 CO 0.62 -0.19 0.00 0.77 -0.34 0.00 0.00 178.44 179.30 1x8e h SER 28 N 0.27 0.00 0.81 1.25 4.64 -1.90 -1.38 113.55 117.23 1x8e h SER 28 Ca 0.76 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 62.08 1x8e h SER 28 Cb 1.78 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.87 1x8e h SER 28 CO -0.63 0.00 -0.15 0.47 -0.87 0.00 0.00 176.83 175.65 1x8e n ASP 29 N -2.99 0.17 -2.02 4.97 8.00 0.97 -4.02 116.55 121.63 1x8e n ASP 29 Ca -0.03 0.20 -0.25 0.00 0.71 0.00 0.00 54.79 55.43 1x8e n ASP 29 Cb 0.08 -0.26 0.07 0.00 -0.02 0.00 0.00 41.12 41.00 1x8e n ASP 29 CO 0.00 0.00 0.00 0.23 -0.39 0.00 0.00 177.20 177.04 1x8e n MET 30 N -1.46 3.01 -1.81 -1.24 2.81 -0.52 -5.01 117.12 112.89 1x8e n MET 30 Ca 0.07 -3.70 -0.42 0.00 -1.81 0.00 0.00 57.70 51.85 1x8e n MET 30 Cb 0.33 -2.22 -0.02 0.00 -0.71 0.00 0.00 33.22 30.60 1x8e n MET 30 CO 0.00 0.00 0.00 -2.00 1.51 0.00 0.00 175.97 175.48 1x8e s GLU 31 N -3.63 4.15 0.00 0.03 2.12 -1.26 -2.84 118.70 117.28 1x8e s GLU 31 Ca 0.55 2.53 0.00 0.00 0.36 0.00 0.00 54.97 58.41 1x8e s GLU 31 Cb 0.45 -3.05 0.00 0.00 0.26 0.00 0.00 34.13 31.79 1x8e s GLU 31 CO 0.02 -0.62 0.00 0.41 -0.54 0.00 0.00 175.26 174.53 1x8e n GLY 32 N 2.56 0.71 0.12 -1.50 0.00 -1.26 -4.97 105.19 100.84 1x8e n GLY 32 Ca 0.10 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.95 1x8e n GLY 32 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1x8e n TYR 33 N -2.00 0.82 -3.68 1.61 4.02 -1.13 -4.89 117.16 111.91 1x8e n TYR 33 Ca 0.00 0.21 -0.36 0.00 -0.01 0.00 0.00 57.90 57.74 1x8e n TYR 33 Cb 0.00 -1.12 -0.07 0.00 -0.02 0.00 0.00 39.34 38.13 1x8e n TYR 33 CO 0.00 0.00 0.00 -0.06 -1.01 0.00 0.00 176.86 175.79 1x8e s PHE 34 N -2.55 3.46 0.15 -0.72 0.40 -1.26 -5.01 117.98 112.45 1x8e s PHE 34 Ca -0.19 0.45 -0.20 0.00 -0.60 0.00 0.00 56.93 56.39 1x8e s PHE 34 Cb 0.07 -2.19 0.05 0.00 0.51 0.00 0.00 43.02 41.46 1x8e s PHE 34 CO 0.76 0.34 1.22 0.28 0.70 0.00 0.00 175.22 178.52 1x8e n VAL 35 N 3.30 -0.49 -2.55 -0.44 0.31 -1.26 -3.65 118.33 113.55 1x8e n VAL 35 Ca -0.15 1.89 -0.42 0.00 -0.01 0.00 0.00 64.34 65.65 1x8e n VAL 35 Cb 0.52 -2.41 -0.01 0.00 -0.91 0.00 0.00 33.84 31.04 1x8e n VAL 35 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 1x8e s ASP 36 N -5.35 6.66 0.32 4.52 -1.08 -1.26 -4.81 116.67 115.67 1x8e s ASP 36 Ca -0.10 -2.17 0.03 0.00 -0.52 0.00 0.00 52.55 49.80 1x8e s ASP 36 Cb 0.12 -2.58 0.63 0.00 -1.46 0.00 0.00 42.92 39.63 1x8e s ASP 36 CO 0.52 -1.35 1.92 -0.33 0.52 0.00 0.00 175.17 176.45 1x8e h GLU 37 N 8.22 0.88 -0.04 4.34 5.08 -1.98 -2.46 114.58 128.63 1x8e h GLU 37 Ca 0.38 -0.05 -0.16 0.00 -1.00 0.00 0.00 59.36 58.53 1x8e h GLU 37 Cb 0.91 -0.20 -0.01 0.00 0.50 0.00 0.00 28.75 29.94 1x8e h GLU 37 CO 1.44 0.58 -0.67 0.00 -1.00 0.00 0.00 179.01 179.36 1x8e h ARG 38 N 0.91 0.19 0.00 2.33 3.08 -1.93 -2.24 114.38 116.71 1x8e h ARG 38 Ca 0.38 -0.15 -0.07 0.00 0.07 0.00 0.00 59.98 60.21 1x8e h ARG 38 Cb 0.29 0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.36 1x8e h ARG 38 CO -0.14 0.79 -0.34 0.00 -1.07 0.00 0.00 179.97 179.21 1x8e h ALA 39 N 1.17 0.91 -0.16 0.04 0.00 -1.87 -2.83 119.26 116.52 1x8e h ALA 39 Ca -0.01 -0.31 -0.05 0.00 0.00 0.00 0.00 54.91 54.53 1x8e h ALA 39 Cb 1.21 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.94 1x8e h ALA 39 CO 0.10 0.42 -0.10 2.35 0.00 0.00 0.00 179.25 182.02 1x8e h TRP 40 N 0.00 0.42 -0.42 0.00 7.01 -1.06 -2.09 115.95 119.82 1x8e h TRP 40 Ca -0.00 -0.11 0.06 0.00 2.11 0.00 0.00 58.89 60.94 1x8e h TRP 40 Cb 0.98 -0.09 -0.05 0.00 -2.10 0.00 0.00 29.16 27.89 1x8e h TRP 40 CO 0.00 0.69 0.13 -0.22 -2.79 0.00 0.00 178.44 176.26 1x8e h LYS 41 N 0.02 0.28 -0.44 2.65 1.63 -1.41 -1.96 116.57 117.33 1x8e h LYS 41 Ca 0.03 -0.02 -0.04 0.00 -0.85 0.00 0.00 60.65 59.77 1x8e h LYS 41 Cb 0.60 -0.06 -0.02 0.00 -0.60 0.00 0.00 32.23 32.15 1x8e h LYS 41 CO 0.03 0.18 0.10 1.49 -3.45 0.00 0.00 179.45 177.81 1x8e h GLU 42 N 0.29 0.70 0.00 1.90 4.81 -1.40 -1.74 114.58 119.13 1x8e h GLU 42 Ca 0.20 -0.17 -0.05 0.00 -0.13 0.00 0.00 59.36 59.21 1x8e h GLU 42 Cb 0.20 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 29.48 1x8e h GLU 42 CO -0.22 0.71 -0.21 1.25 -0.73 0.00 0.00 179.01 179.81 1x8e h LEU 43 N 0.58 0.00 0.01 1.64 5.85 -1.31 -3.01 115.31 119.06 1x8e h LEU 43 Ca 0.14 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.86 1x8e h LEU 43 Cb 0.32 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.35 1x8e h LEU 43 CO 0.00 0.21 -0.00 0.58 -0.34 0.00 0.00 178.44 178.89 1x8e h VAL 44 N 0.00 1.41 -0.57 1.05 2.07 -0.99 -2.59 116.25 116.61 1x8e h VAL 44 Ca -0.00 -1.25 0.08 0.00 0.82 0.00 0.00 66.70 66.34 1x8e h VAL 44 Cb 0.94 2.25 -0.06 0.00 -1.52 0.00 0.00 31.29 32.90 1x8e h VAL 44 CO 0.03 0.32 0.23 -0.33 0.02 0.00 0.00 177.57 177.84 1x8e h GLU 45 N -0.55 0.41 -0.14 1.57 4.39 -1.20 -2.95 114.58 116.11 1x8e h GLU 45 Ca -0.00 -0.02 -0.19 0.00 0.34 0.00 0.00 59.36 59.48 1x8e h GLU 45 Cb 0.54 -0.09 0.01 0.00 -0.10 0.00 0.00 28.75 29.10 1x8e h GLU 45 CO 0.00 0.27 -0.66 0.87 -1.16 0.00 0.00 179.01 178.34 1x8e h LYS 46 N 0.42 0.70 0.00 2.33 6.56 -1.67 -3.44 116.57 121.46 1x8e h LYS 46 Ca 0.28 -0.56 0.00 0.00 -1.06 0.00 0.00 60.65 59.31 1x8e h LYS 46 Cb 0.31 0.11 0.00 0.00 -0.57 0.00 0.00 32.23 32.08 1x8e h LYS 46 CO -0.26 1.18 0.00 -1.91 -2.06 0.00 0.00 179.45 176.39 1x8e n GLU 47 N -4.06 0.00 -3.30 3.15 2.13 -1.19 -5.11 120.64 112.27 1x8e n GLU 47 Ca -0.08 0.00 -0.17 0.00 0.66 0.00 0.00 57.16 57.58 1x8e n GLU 47 Cb 0.68 -0.18 0.01 0.00 0.27 0.00 0.00 31.44 32.23 1x8e n GLU 47 CO 0.00 0.00 0.00 -3.47 -0.41 0.00 0.00 177.13 173.25 1x8e n ASP 48 N -1.98 -6.58 -4.93 4.31 2.03 -0.98 -4.95 116.55 103.47 1x8e n ASP 48 Ca 0.00 -0.19 -0.26 0.00 0.52 0.00 0.00 54.79 54.87 1x8e n ASP 48 Cb 0.00 -3.61 0.03 0.00 -0.72 0.00 0.00 41.12 36.82 1x8e n ASP 48 CO 0.00 0.00 0.00 -2.16 -1.92 0.00 0.00 177.20 173.12 1x8e s PRO 49 N -3.32 2.81 -0.31 -0.67 0.04 -1.26 -4.64 135.00 127.65 1x8e s PRO 49 Ca 0.14 -0.15 -0.29 0.00 0.04 0.00 0.00 61.00 60.73 1x8e s PRO 49 Cb -0.02 -2.31 -0.00 0.00 0.04 0.00 0.00 34.50 32.21 1x8e s PRO 49 CO 0.82 -0.72 1.35 0.08 0.04 0.00 0.00 177.00 178.57 1x8e s VAL 50 N -2.96 4.05 0.04 -0.36 1.01 -1.26 -1.56 120.40 119.37 1x8e s VAL 50 Ca 0.54 1.17 -0.19 0.00 0.00 0.00 0.00 61.98 63.51 1x8e s VAL 50 Cb -0.10 -4.12 -0.15 0.00 0.00 0.00 0.00 36.38 32.00 1x8e s VAL 50 CO 0.44 -0.51 1.29 0.58 0.00 0.00 0.00 175.10 176.90 1x8e h VAL 51 N 6.07 1.36 -1.98 2.92 2.07 -1.75 -3.42 116.25 121.52 1x8e h VAL 51 Ca -0.27 -1.56 0.01 0.00 0.82 0.00 0.00 66.70 65.70 1x8e h VAL 51 Cb 1.10 2.01 -0.19 0.00 -1.52 0.00 0.00 31.29 32.69 1x8e h VAL 51 CO 1.04 0.46 0.35 -0.72 0.02 0.00 0.00 177.57 178.73 1x8e s TYR 52 N -4.00 -0.51 0.06 1.57 -0.85 -1.09 -0.90 117.35 111.63 1x8e s TYR 52 Ca -0.13 0.77 0.09 0.00 -0.52 0.00 0.00 57.07 57.28 1x8e s TYR 52 Cb 0.06 0.45 -0.03 0.00 0.38 0.00 0.00 41.96 42.82 1x8e s TYR 52 CO 0.79 -0.53 -0.26 -1.21 -1.52 0.00 0.00 175.55 172.82 1x8e s GLU 53 N -1.63 1.69 -0.13 -3.49 2.02 -0.60 -1.88 118.70 114.68 1x8e s GLU 53 Ca -0.05 -1.15 -0.00 0.00 0.02 0.00 0.00 54.97 53.80 1x8e s GLU 53 Cb -0.00 -1.93 0.02 0.00 0.10 0.00 0.00 34.13 32.32 1x8e s GLU 53 CO 0.03 0.49 -0.10 0.08 0.02 0.00 0.00 175.26 175.77 1x8e s VAL 54 N -0.86 1.26 -0.37 2.63 1.01 -0.46 -1.40 120.40 122.22 1x8e s VAL 54 Ca 0.12 -0.43 -0.13 0.00 0.00 0.00 0.00 61.98 61.54 1x8e s VAL 54 Cb -0.10 -1.23 0.01 0.00 0.00 0.00 0.00 36.38 35.06 1x8e s VAL 54 CO 0.03 0.41 0.24 -0.31 0.00 0.00 0.00 175.10 175.47 1x8e s TYR 55 N 1.61 3.23 -0.09 5.22 1.51 -0.69 -1.34 117.35 126.80 1x8e s TYR 55 Ca 0.05 -0.54 0.04 0.00 -1.01 0.00 0.00 57.07 55.61 1x8e s TYR 55 Cb -0.13 -2.49 0.00 0.00 -0.11 0.00 0.00 41.96 39.23 1x8e s TYR 55 CO -0.09 -0.51 -0.21 0.00 -1.11 0.00 0.00 175.55 173.63 1x8e s ALA 56 N 1.66 1.94 -0.38 3.71 0.00 -1.19 -1.99 121.76 125.52 1x8e s ALA 56 Ca 0.05 -0.84 -0.01 0.00 0.00 0.00 0.00 51.96 51.16 1x8e s ALA 56 Cb -0.18 -0.74 0.10 0.00 0.00 0.00 0.00 23.12 22.30 1x8e s ALA 56 CO 0.09 0.26 0.13 0.08 0.00 0.00 0.00 175.76 176.32 1x8e s VAL 57 N 0.37 2.99 0.16 0.00 1.01 -0.26 -4.54 120.40 120.14 1x8e s VAL 57 Ca -0.17 -2.03 0.07 0.00 0.00 0.00 0.00 61.98 59.86 1x8e s VAL 57 Cb -0.17 -3.03 -0.04 0.00 0.00 0.00 0.00 36.38 33.14 1x8e s VAL 57 CO 0.07 -0.58 -0.02 -1.61 0.00 0.00 0.00 175.10 172.97 1x8e s GLU 58 N 1.10 2.36 0.28 2.72 2.02 -1.26 -2.36 118.70 123.56 1x8e s GLU 58 Ca 0.07 -1.09 0.08 0.00 0.02 0.00 0.00 54.97 54.05 1x8e s GLU 58 Cb -0.21 -2.35 -0.04 0.00 0.10 0.00 0.00 34.13 31.63 1x8e s GLU 58 CO -0.05 0.46 0.10 -0.65 0.02 0.00 0.00 175.26 175.15 1x8e s GLN 59 N -2.82 2.51 -0.09 1.61 -1.52 -1.26 -5.06 119.66 113.03 1x8e s GLN 59 Ca 0.27 -1.34 -0.35 0.00 -1.95 0.00 0.00 55.36 51.98 1x8e s GLN 59 Cb -0.10 -2.29 -0.13 0.00 -0.22 0.00 0.00 33.01 30.27 1x8e s GLN 59 CO 0.18 0.30 1.79 0.39 -0.25 0.00 0.00 175.29 177.70 1x8e n GLU 60 N -1.06 1.91 -1.67 2.91 4.71 -1.26 -4.89 120.64 121.30 1x8e n GLU 60 Ca -0.06 0.70 -0.49 0.00 -0.01 0.00 0.00 57.16 57.31 1x8e n GLU 60 Cb 0.59 -2.49 -0.05 0.00 -1.01 0.00 0.00 31.44 28.48 1x8e n GLU 60 CO 0.00 0.00 0.00 -0.85 0.09 0.00 0.00 177.13 176.37 1x8e n GLU 61 N 5.74 1.97 -2.75 3.49 0.28 -1.26 -4.93 120.64 123.19 1x8e n GLU 61 Ca 0.22 0.71 -0.04 0.00 -0.16 0.00 0.00 57.16 57.90 1x8e n GLU 61 Cb 0.25 -2.49 0.02 0.00 1.43 0.00 0.00 31.44 30.65 1x8e n GLU 61 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 177.13 177.18 1x8e s LYS 62 N 2.34 0.81 0.00 3.44 2.47 -1.26 -4.87 119.74 122.66 1x8e s LYS 62 Ca 0.87 -0.78 0.00 0.00 -1.56 0.00 0.00 55.97 54.49 1x8e s LYS 62 Cb -0.75 -0.03 0.00 0.00 -1.46 0.00 0.00 37.83 35.59 1x8e s LYS 62 CO 0.47 -1.00 0.00 -1.91 0.16 0.00 0.00 175.35 173.07 1x8e n GLU 63 N 2.89 0.00 -0.33 4.03 2.13 -1.26 -1.98 120.64 126.12 1x8e n GLU 63 Ca 0.16 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.98 1x8e n GLU 63 Cb 0.59 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.30 1x8e n GLU 63 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1x8e n GLY 64 N 0.28 0.71 3.96 8.31 0.00 -1.26 -5.07 105.19 112.11 1x8e n GLY 64 Ca 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.80 1x8e n GLY 64 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1x8e s ASP 65 N -2.98 6.20 -0.02 1.61 -1.08 -0.84 -5.00 116.67 114.57 1x8e s ASP 65 Ca 0.00 0.19 0.04 0.00 -0.52 0.00 0.00 52.55 52.26 1x8e s ASP 65 Cb 0.00 -1.79 -0.01 0.00 -1.46 0.00 0.00 42.92 39.66 1x8e s ASP 65 CO 0.00 -0.27 -0.13 -0.76 0.52 0.00 0.00 175.17 174.52 1x8e s LEU 66 N -4.19 1.99 0.48 -1.34 1.43 -1.26 -0.32 118.68 115.47 1x8e s LEU 66 Ca 0.39 -0.25 0.08 0.00 -1.03 0.00 0.00 54.13 53.33 1x8e s LEU 66 Cb -0.09 -0.71 0.03 0.00 0.03 0.00 0.00 46.19 45.45 1x8e s LEU 66 CO 0.33 0.15 0.60 0.20 0.23 0.00 0.00 176.35 177.86 1x8e s ASN 67 N -0.23 5.28 0.08 2.29 0.01 0.09 -4.65 114.94 117.81 1x8e s ASN 67 Ca 0.03 -0.69 -0.21 0.00 -0.71 0.00 0.00 52.86 51.29 1x8e s ASN 67 Cb -0.06 -0.22 0.05 0.00 0.41 0.00 0.00 41.25 41.43 1x8e s ASN 67 CO -0.00 -0.97 0.49 0.72 -1.51 0.00 0.00 177.10 175.83 1x8e s PHE 68 N -2.52 -0.37 -0.26 2.20 -0.12 -0.99 -2.33 117.98 113.59 1x8e s PHE 68 Ca 0.54 0.29 -0.26 0.00 -0.05 0.00 0.00 56.93 57.46 1x8e s PHE 68 Cb -0.07 0.34 0.11 0.00 -0.63 0.00 0.00 43.02 42.77 1x8e s PHE 68 CO 0.33 -0.68 0.93 0.00 -0.05 0.00 0.00 175.22 175.75 1x8e s ALA 69 N -2.95 -1.91 0.23 1.99 0.00 -0.76 -1.10 121.76 117.27 1x8e s ALA 69 Ca -0.02 1.87 -0.01 0.00 0.00 0.00 0.00 51.96 53.80 1x8e s ALA 69 Cb -0.00 -1.25 -0.04 0.00 0.00 0.00 0.00 23.12 21.83 1x8e s ALA 69 CO -0.06 -0.28 0.43 0.95 0.00 0.00 0.00 175.76 176.81 1x8e s THR 70 N 0.10 5.17 -0.12 0.00 -4.23 -0.84 -0.25 115.64 115.46 1x8e s THR 70 Ca 0.01 -0.34 -0.00 0.00 -1.18 0.00 0.00 61.69 60.18 1x8e s THR 70 Cb -0.04 -3.75 0.02 0.00 1.34 0.00 0.00 72.50 70.07 1x8e s THR 70 CO -0.03 -0.25 -0.10 -0.89 -0.54 0.00 0.00 174.62 172.82 1x8e s THR 71 N -1.96 1.19 -0.89 3.99 2.01 0.11 -1.70 115.64 118.39 1x8e s THR 71 Ca 0.39 -0.39 -0.21 0.00 0.31 0.00 0.00 61.69 61.79 1x8e s THR 71 Cb -0.11 -1.17 0.10 0.00 0.01 0.00 0.00 72.50 71.33 1x8e s THR 71 CO 0.30 0.39 1.17 -0.69 -0.69 0.00 0.00 174.62 175.10 1x8e s VAL 72 N 1.61 4.43 -0.59 3.82 1.01 -0.49 -2.14 120.40 128.04 1x8e s VAL 72 Ca 0.04 -1.07 -0.28 0.00 0.00 0.00 0.00 61.98 60.67 1x8e s VAL 72 Cb -0.13 -4.83 0.03 0.00 0.00 0.00 0.00 36.38 31.46 1x8e s VAL 72 CO -0.08 -1.61 1.20 -0.22 0.00 0.00 0.00 175.10 174.38 1x8e s LEU 73 N 3.60 3.44 0.84 3.92 0.20 -0.26 -1.56 118.68 128.86 1x8e s LEU 73 Ca 0.34 0.06 -0.10 0.00 0.69 0.00 0.00 54.13 55.11 1x8e s LEU 73 Cb -0.06 -3.11 0.10 0.00 -0.43 0.00 0.00 46.19 42.68 1x8e s LEU 73 CO -0.05 -1.51 1.12 -0.31 -0.29 0.00 0.00 176.35 175.31 1x8e s TYR 74 N 5.01 2.11 0.21 5.38 2.02 -0.08 -0.43 117.35 131.57 1x8e s TYR 74 Ca 0.42 1.67 -0.07 0.00 -0.37 0.00 0.00 57.07 58.73 1x8e s TYR 74 Cb -0.08 -3.19 -0.06 0.00 -0.40 0.00 0.00 41.96 38.23 1x8e s TYR 74 CO 0.24 -2.29 0.48 -1.25 -1.57 0.00 0.00 175.55 171.17 1x8e s PRO 75 N -4.78 3.69 0.00 -1.71 0.04 -1.26 -4.79 135.00 126.20 1x8e s PRO 75 Ca 0.64 0.07 0.00 0.00 0.04 0.00 0.00 61.00 61.75 1x8e s PRO 75 Cb -0.20 -2.73 0.00 0.00 0.04 0.00 0.00 34.50 31.62 1x8e s PRO 75 CO 0.57 0.35 0.00 0.41 0.04 0.00 0.00 177.00 178.37 1x8e n GLY 76 N -0.23 -2.29 3.18 0.56 0.00 -1.26 -5.02 105.19 100.13 1x8e n GLY 76 Ca -0.01 -1.40 -0.10 0.00 0.00 0.00 0.00 46.02 44.51 1x8e n GLY 76 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1x8e s LYS 77 N -1.88 0.73 -0.35 1.61 1.02 -1.26 -2.58 119.74 117.01 1x8e s LYS 77 Ca 0.00 -0.74 0.03 0.00 0.02 0.00 0.00 55.97 55.28 1x8e s LYS 77 Cb 0.00 0.30 0.10 0.00 -0.52 0.00 0.00 37.83 37.71 1x8e s LYS 77 CO 0.00 -0.21 0.08 0.08 -0.92 0.00 0.00 175.35 174.38 1x8e s VAL 78 N -2.95 2.46 0.00 3.17 1.01 0.22 -4.95 120.40 119.36 1x8e s VAL 78 Ca -0.02 -2.31 0.00 0.00 0.00 0.00 0.00 61.98 59.65 1x8e s VAL 78 Cb 0.01 -2.79 0.00 0.00 0.00 0.00 0.00 36.38 33.60 1x8e s VAL 78 CO -0.06 -0.62 0.00 0.61 0.00 0.00 0.00 175.10 175.03 1x8e n GLY 79 N 4.30 1.72 0.00 4.51 0.00 -1.26 -2.37 105.19 112.09 1x8e n GLY 79 Ca 0.03 0.03 0.10 0.00 0.00 0.00 0.00 46.02 46.18 1x8e n GLY 79 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1x8e n LYS 80 N 1.59 0.13 -3.50 1.61 5.02 -1.26 -4.98 118.16 116.76 1x8e n LYS 80 Ca 0.00 -0.03 -0.38 0.00 -2.02 0.00 0.00 58.31 55.88 1x8e n LYS 80 Cb 0.00 -1.51 -0.10 0.00 -0.02 0.00 0.00 35.03 33.40 1x8e n LYS 80 CO 0.00 0.00 0.00 -2.00 -0.52 0.00 0.00 177.40 174.88 1x8e s GLU 81 N -3.10 3.99 0.79 1.97 2.12 -1.00 -0.90 118.70 122.57 1x8e s GLU 81 Ca 0.05 -0.15 -0.11 0.00 0.36 0.00 0.00 54.97 55.12 1x8e s GLU 81 Cb 0.16 -3.65 0.07 0.00 0.26 0.00 0.00 34.13 30.97 1x8e s GLU 81 CO 0.86 -0.20 1.11 -0.06 -0.54 0.00 0.00 175.26 176.43 1x8e s PHE 82 N 1.83 2.34 0.33 5.30 0.40 -1.09 -0.61 117.98 126.48 1x8e s PHE 82 Ca 0.11 1.61 -0.27 0.00 -0.60 0.00 0.00 56.93 57.78 1x8e s PHE 82 Cb -0.16 -3.16 -0.09 0.00 0.51 0.00 0.00 43.02 40.13 1x8e s PHE 82 CO 0.10 -2.06 1.05 -0.06 0.70 0.00 0.00 175.22 174.95 1x8e s PHE 83 N -2.72 3.50 0.28 0.36 0.08 -1.07 -4.81 117.98 113.61 1x8e s PHE 83 Ca 0.64 1.71 0.03 0.00 0.12 0.00 0.00 56.93 59.43 1x8e s PHE 83 Cb -0.20 -3.15 -0.04 0.00 -0.57 0.00 0.00 43.02 39.07 1x8e s PHE 83 CO 0.54 -0.41 0.20 -0.59 -0.10 0.00 0.00 175.22 174.86 1x8e s PHE 84 N -1.41 1.51 0.62 0.36 -0.12 -1.26 -2.35 117.98 115.32 1x8e s PHE 84 Ca 0.50 -1.51 -0.14 0.00 -0.05 0.00 0.00 56.93 55.73 1x8e s PHE 84 Cb -0.26 -0.69 -0.02 0.00 -0.63 0.00 0.00 43.02 41.42 1x8e s PHE 84 CO 0.33 -0.72 1.06 0.95 -0.05 0.00 0.00 175.22 176.78 1x8e s THR 85 N -3.74 3.90 0.19 -4.49 -4.23 -0.81 -4.91 115.64 101.55 1x8e s THR 85 Ca 0.39 0.81 -0.12 0.00 -1.18 0.00 0.00 61.69 61.60 1x8e s THR 85 Cb 0.05 -3.40 0.11 0.00 1.34 0.00 0.00 72.50 70.60 1x8e s THR 85 CO 0.20 -0.62 1.82 0.11 -0.54 0.00 0.00 174.62 175.59 1x8e h LYS 86 N 0.10 0.91 0.00 3.99 1.57 -1.95 -3.42 116.57 117.77 1x8e h LYS 86 Ca -0.46 -0.09 0.00 0.00 -1.87 0.00 0.00 60.65 58.23 1x8e h LYS 86 Cb 1.22 -0.19 0.00 0.00 0.08 0.00 0.00 32.23 33.34 1x8e h LYS 86 CO 0.57 0.66 0.00 0.41 -0.57 0.00 0.00 179.45 180.52 1x8e n GLY 87 N -1.13 -0.49 3.10 3.86 0.00 -1.26 -4.93 105.19 104.34 1x8e n GLY 87 Ca 0.05 -1.46 -0.20 0.00 0.00 0.00 0.00 46.02 44.41 1x8e n GLY 87 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 1x8e s HIS 88 N -2.58 1.13 0.41 1.61 -3.43 -0.93 -4.56 115.29 106.94 1x8e s HIS 88 Ca 0.00 -0.28 -0.09 0.00 -0.80 0.00 0.00 55.06 53.89 1x8e s HIS 88 Cb 0.00 -0.70 -0.06 0.00 -1.43 0.00 0.00 32.58 30.39 1x8e s HIS 88 CO 0.00 0.00 0.75 -0.06 -2.00 0.00 0.00 174.74 173.44 1x8e s PHE 89 N -0.57 3.49 0.30 0.38 0.08 -0.41 -2.28 117.98 118.96 1x8e s PHE 89 Ca 0.03 0.97 -0.17 0.00 0.12 0.00 0.00 56.93 57.88 1x8e s PHE 89 Cb -0.06 -2.39 -0.09 0.00 -0.57 0.00 0.00 43.02 39.91 1x8e s PHE 89 CO 0.00 -0.11 0.75 -1.01 -0.10 0.00 0.00 175.22 174.76 1x8e s HIS 90 N -2.40 3.45 0.05 0.36 3.76 -1.26 -0.41 115.29 118.83 1x8e s HIS 90 Ca 0.50 1.30 -0.23 0.00 -0.15 0.00 0.00 55.06 56.48 1x8e s HIS 90 Cb -0.10 -2.59 -0.15 0.00 1.11 0.00 0.00 32.58 30.85 1x8e s HIS 90 CO 0.33 0.15 1.49 0.00 -0.85 0.00 0.00 174.74 175.86 1x8e h ALA 91 N 2.56 0.10 -2.06 -1.40 0.00 -0.89 -3.36 119.26 114.22 1x8e h ALA 91 Ca -0.48 -0.16 -0.62 0.00 0.00 0.00 0.00 54.91 53.65 1x8e h ALA 91 Cb 1.18 -0.03 -0.12 0.00 0.00 0.00 0.00 17.79 18.82 1x8e h ALA 91 CO 0.65 -0.24 0.38 0.15 0.00 0.00 0.00 179.25 180.19 1x8e s LYS 92 N -5.09 3.49 0.25 0.00 1.02 -0.35 -4.96 119.74 114.09 1x8e s LYS 92 Ca -0.14 -0.00 -0.01 0.00 0.02 0.00 0.00 55.97 55.84 1x8e s LYS 92 Cb 0.05 -3.91 0.32 0.00 -0.52 0.00 0.00 37.83 33.77 1x8e s LYS 92 CO 0.69 -1.07 1.70 -0.07 -0.92 0.00 0.00 175.35 175.68 1x8e h LEU 93 N 10.09 0.65 -7.71 3.17 3.38 -1.86 -3.38 115.31 119.65 1x8e h LEU 93 Ca -0.25 -0.21 -0.77 0.00 0.09 0.00 0.00 57.88 56.75 1x8e h LEU 93 Cb 1.09 -0.18 -0.23 0.00 0.09 0.00 0.00 40.66 41.43 1x8e h LEU 93 CO 0.96 0.83 0.68 1.51 0.09 0.00 0.00 178.44 182.51 1x8e s ASP 94 N -6.75 7.05 -0.17 -0.43 3.84 -1.26 -1.67 116.67 117.28 1x8e s ASP 94 Ca -0.08 -3.05 -0.08 0.00 -0.00 0.00 0.00 52.55 49.33 1x8e s ASP 94 Cb 0.14 -2.29 0.06 0.00 -1.38 0.00 0.00 42.92 39.45 1x8e s ASP 94 CO 0.81 -0.57 0.40 -0.13 -0.00 0.00 0.00 175.17 175.67 1x8e s ARG 95 N 0.32 0.36 0.51 2.11 1.81 -1.26 -4.93 118.95 117.86 1x8e s ARG 95 Ca 0.32 0.81 -0.06 0.00 -1.72 0.00 0.00 55.73 55.08 1x8e s ARG 95 Cb -0.07 0.03 -0.03 0.00 -0.45 0.00 0.00 34.95 34.42 1x8e s ARG 95 CO -0.06 -0.18 0.83 0.00 -0.68 0.00 0.00 175.30 175.21 1x8e s ALA 96 N 1.62 3.35 0.29 2.13 0.00 -1.26 -3.84 121.76 124.06 1x8e s ALA 96 Ca -0.08 -0.46 0.03 0.00 0.00 0.00 0.00 51.96 51.45 1x8e s ALA 96 Cb -0.09 -2.66 -0.06 0.00 0.00 0.00 0.00 23.12 20.31 1x8e s ALA 96 CO -0.12 -0.43 0.06 -1.21 0.00 0.00 0.00 175.76 174.07 1x8e s GLU 97 N -4.82 1.53 -0.04 0.00 2.02 0.04 -4.21 118.70 113.22 1x8e s GLU 97 Ca 0.49 -1.83 0.00 0.00 0.02 0.00 0.00 54.97 53.65 1x8e s GLU 97 Cb -0.10 -0.62 0.02 0.00 0.10 0.00 0.00 34.13 33.53 1x8e s GLU 97 CO 0.46 -0.22 -0.02 0.08 0.02 0.00 0.00 175.26 175.58 1x8e s VAL 98 N -3.48 0.40 0.15 2.63 1.01 -0.90 -1.24 120.40 118.97 1x8e s VAL 98 Ca 0.36 -0.01 0.06 0.00 0.00 0.00 0.00 61.98 62.39 1x8e s VAL 98 Cb 0.08 -0.47 -0.04 0.00 0.00 0.00 0.00 36.38 35.95 1x8e s VAL 98 CO 0.14 0.21 0.03 -0.31 0.00 0.00 0.00 175.10 175.17 1x8e s TYR 99 N 1.16 2.96 -0.05 5.22 1.51 -0.24 -1.10 117.35 126.80 1x8e s TYR 99 Ca -0.08 -0.08 -0.02 0.00 -1.01 0.00 0.00 57.07 55.88 1x8e s TYR 99 Cb -0.14 -1.45 0.03 0.00 -0.11 0.00 0.00 41.96 40.29 1x8e s TYR 99 CO -0.01 0.51 0.06 0.08 -1.11 0.00 0.00 175.55 175.07 1x8e s VAL 100 N -1.63 -0.10 -0.11 0.71 1.01 0.02 -1.31 120.40 118.99 1x8e s VAL 100 Ca 0.28 0.39 -0.19 0.00 0.00 0.00 0.00 61.98 62.46 1x8e s VAL 100 Cb -0.10 -0.18 -0.04 0.00 0.00 0.00 0.00 36.38 36.06 1x8e s VAL 100 CO 0.20 0.16 0.54 0.00 0.00 0.00 0.00 175.10 175.99 1x8e s ALA 101 N 2.16 3.45 -0.25 5.51 0.00 -0.65 -1.47 121.76 130.51 1x8e s ALA 101 Ca 0.05 -0.13 0.02 0.00 0.00 0.00 0.00 51.96 51.90 1x8e s ALA 101 Cb -0.12 -2.74 -0.16 0.00 0.00 0.00 0.00 23.12 20.10 1x8e s ALA 101 CO -0.03 -0.06 -0.22 1.28 0.00 0.00 0.00 175.76 176.72 1x8e n LEU 102 N 3.80 2.97 -3.66 0.00 4.77 -0.68 -2.40 117.00 121.80 1x8e n LEU 102 Ca -0.05 -0.13 -0.10 0.00 -0.03 0.00 0.00 56.01 55.70 1x8e n LEU 102 Cb 0.51 -0.87 -0.04 0.00 -2.33 0.00 0.00 43.42 40.69 1x8e n LEU 102 CO 0.44 0.92 0.25 -0.75 -1.33 0.00 0.00 177.39 176.92 1x8e s LYS 103 N -2.50 1.27 0.63 3.23 2.20 -1.09 -4.74 119.74 118.73 1x8e s LYS 103 Ca -0.34 -0.76 0.00 0.00 -0.36 0.00 0.00 55.97 54.51 1x8e s LYS 103 Cb 0.09 0.51 0.00 0.00 -1.51 0.00 0.00 37.83 36.92 1x8e s LYS 103 CO 0.57 -0.53 0.00 0.41 -0.36 0.00 0.00 175.35 175.45 1x8e n GLY 104 N -0.31 -2.04 2.74 5.54 0.00 -1.25 -2.29 105.19 107.57 1x8e n GLY 104 Ca -0.13 -1.64 -0.17 0.00 0.00 0.00 0.00 46.02 44.08 1x8e n GLY 104 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1x8e s LYS 105 N -0.07 -0.05 0.00 1.61 2.20 -1.26 -4.35 119.74 117.81 1x8e s LYS 105 Ca 0.00 0.28 0.00 0.00 -0.36 0.00 0.00 55.97 55.89 1x8e s LYS 105 Cb 0.00 -0.35 0.00 0.00 -1.51 0.00 0.00 37.83 35.97 1x8e s LYS 105 CO 0.00 -0.24 0.00 0.41 -0.36 0.00 0.00 175.35 175.16 1x8e n GLY 106 N 4.65 2.33 3.73 5.54 0.00 -0.48 -2.21 105.19 118.75 1x8e n GLY 106 Ca -0.18 -0.61 0.01 0.00 0.00 0.00 0.00 46.02 45.25 1x8e n GLY 106 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1x8e s GLY 107 N -0.24 -0.30 -0.03 -0.02 0.00 -0.28 -1.22 107.32 105.23 1x8e s GLY 107 Ca 0.00 0.43 0.07 0.00 0.00 0.00 0.00 44.72 45.22 1x8e s GLY 107 CO 0.00 1.50 -0.24 -0.29 0.00 0.00 0.00 173.10 174.07 1x8e s MET 108 N -2.38 2.29 -0.11 2.90 1.75 -0.29 -0.63 119.30 122.82 1x8e s MET 108 Ca 0.18 -0.89 -0.01 0.00 -1.25 0.00 0.00 55.69 53.73 1x8e s MET 108 Cb 0.03 -2.13 -0.02 0.00 2.84 0.00 0.00 34.83 35.55 1x8e s MET 108 CO -0.02 0.52 -0.09 -1.17 -0.65 0.00 0.00 175.02 173.62 1x8e s LEU 109 N -0.51 3.01 0.05 4.11 0.20 -0.15 -1.82 118.68 123.57 1x8e s LEU 109 Ca 0.07 -0.17 0.01 0.00 0.69 0.00 0.00 54.13 54.73 1x8e s LEU 109 Cb -0.11 -1.68 -0.03 0.00 -0.43 0.00 0.00 46.19 43.94 1x8e s LEU 109 CO 0.00 0.24 -0.05 -0.76 -0.29 0.00 0.00 176.35 175.49 1x8e s LEU 110 N -0.08 2.35 -0.28 -0.68 1.43 -0.25 -0.84 118.68 120.33 1x8e s LEU 110 Ca -0.00 -0.72 -0.19 0.00 -1.03 0.00 0.00 54.13 52.18 1x8e s LEU 110 Cb -0.13 -0.00 0.12 0.00 0.03 0.00 0.00 46.19 46.20 1x8e s LEU 110 CO 0.03 -0.36 0.89 -1.58 0.23 0.00 0.00 176.35 175.56 1x8e s GLN 111 N -2.49 0.54 0.61 1.70 0.74 -0.90 -0.52 119.66 119.34 1x8e s GLN 111 Ca -0.04 0.82 -0.08 0.00 0.05 0.00 0.00 55.36 56.11 1x8e s GLN 111 Cb -0.03 0.17 -0.01 0.00 1.10 0.00 0.00 33.01 34.24 1x8e s GLN 111 CO -0.03 -0.09 0.96 0.95 -0.55 0.00 0.00 175.29 176.52 1x8e s THR 112 N 1.04 4.05 0.53 -0.34 -4.23 -1.12 -1.08 115.64 114.50 1x8e s THR 112 Ca -0.05 0.33 0.31 0.00 -1.18 0.00 0.00 61.69 61.10 1x8e s THR 112 Cb -0.04 -3.62 0.48 0.00 1.34 0.00 0.00 72.50 70.65 1x8e s THR 112 CO -0.12 -0.71 1.90 -0.65 -0.54 0.00 0.00 174.62 174.49 1x8e h PRO 113 N -0.25 0.01 0.00 3.99 0.11 -1.94 -0.96 132.00 132.96 1x8e h PRO 113 Ca -0.45 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 1x8e h PRO 113 Cb 1.23 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.34 1x8e h PRO 113 CO 0.62 0.01 -0.24 0.93 -0.21 0.00 0.00 178.00 179.11 1x8e h GLU 114 N 0.01 0.00 0.00 1.05 3.07 -1.96 -3.48 114.58 113.28 1x8e h GLU 114 Ca 0.42 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.28 1x8e h GLU 114 Cb 1.65 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.56 1x8e h GLU 114 CO -0.01 0.00 0.00 0.41 -1.40 0.00 0.00 179.01 178.01 1x8e n GLY 115 N 1.25 1.32 3.67 -3.84 0.00 -0.36 -5.09 105.19 102.14 1x8e n GLY 115 Ca 0.04 0.00 -0.53 0.00 0.00 0.00 0.00 46.02 45.53 1x8e n GLY 115 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1x8e n ASP 116 N 0.00 2.82 -4.93 1.61 9.92 -1.26 -4.59 116.55 120.11 1x8e n ASP 116 Ca 0.00 0.97 -0.25 0.00 -0.53 0.00 0.00 54.79 54.97 1x8e n ASP 116 Cb 0.00 -1.25 0.05 0.00 -0.64 0.00 0.00 41.12 39.28 1x8e n ASP 116 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1x8e s ALA 117 N 4.18 3.31 -0.26 2.24 0.00 -1.26 -2.80 121.76 127.17 1x8e s ALA 117 Ca 0.97 -0.92 -0.17 0.00 0.00 0.00 0.00 51.96 51.84 1x8e s ALA 117 Cb -0.89 -2.52 0.07 0.00 0.00 0.00 0.00 23.12 19.78 1x8e s ALA 117 CO 0.58 -1.07 0.65 0.21 0.00 0.00 0.00 175.76 176.13 1x8e s LYS 118 N -5.10 0.69 -0.14 0.00 2.20 0.32 -4.91 119.74 112.81 1x8e s LYS 118 Ca 0.58 1.10 -0.03 0.00 -0.36 0.00 0.00 55.97 57.26 1x8e s LYS 118 Cb -0.11 0.19 -0.03 0.00 -1.51 0.00 0.00 37.83 36.37 1x8e s LYS 118 CO 0.44 -0.14 -0.04 -0.46 -0.36 0.00 0.00 175.35 174.79 1x8e s TRP 119 N 1.25 3.01 -0.19 4.03 -0.11 -1.26 -1.09 118.94 124.58 1x8e s TRP 119 Ca -0.07 -0.23 0.01 0.00 1.22 0.00 0.00 56.10 57.02 1x8e s TRP 119 Cb -0.05 -1.90 0.04 0.00 -1.50 0.00 0.00 33.47 30.05 1x8e s TRP 119 CO -0.13 0.05 -0.11 0.42 -4.62 0.00 0.00 176.95 172.55 1x8e s ILE 120 N 0.10 1.63 0.19 5.86 -1.09 -0.75 -4.97 121.20 122.17 1x8e s ILE 120 Ca -0.01 -0.95 -0.31 0.00 -2.23 0.00 0.00 60.65 57.15 1x8e s ILE 120 Cb -0.14 -1.68 -0.16 0.00 -1.58 0.00 0.00 42.46 38.91 1x8e s ILE 120 CO 0.03 0.22 0.98 -1.20 -1.23 0.00 0.00 174.94 173.74 1x8e n SER 121 N 4.70 0.69 -3.85 3.58 7.64 -1.26 -1.14 113.62 123.98 1x8e n SER 121 Ca -0.15 1.15 -0.26 0.00 1.01 0.00 0.00 58.87 60.62 1x8e n SER 121 Cb 0.47 -1.16 -0.17 0.00 -1.01 0.00 0.00 64.21 62.34 1x8e n SER 121 CO 0.00 0.00 0.00 -0.04 -3.01 0.00 0.00 175.04 171.99 1x8e s MET 122 N -0.78 1.16 0.34 1.43 -1.94 -0.36 -4.84 119.30 114.31 1x8e s MET 122 Ca 0.69 -0.21 0.04 0.00 -1.71 0.00 0.00 55.69 54.50 1x8e s MET 122 Cb -0.86 -1.52 -0.06 0.00 2.01 0.00 0.00 34.83 34.39 1x8e s MET 122 CO 0.55 -0.34 0.06 -1.21 -0.01 0.00 0.00 175.02 174.07 1x8e s GLU 123 N 1.79 1.69 0.17 2.03 2.02 -1.26 -1.39 118.70 123.75 1x8e s GLU 123 Ca 0.04 -1.95 -0.32 0.00 0.02 0.00 0.00 54.97 52.76 1x8e s GLU 123 Cb -0.13 -0.91 -0.16 0.00 0.10 0.00 0.00 34.13 33.02 1x8e s GLU 123 CO -0.07 -0.19 0.97 -2.30 0.02 0.00 0.00 175.26 173.68 1x8e n PRO 124 N -0.72 0.73 0.00 0.39 -0.02 -1.26 -1.10 135.00 133.02 1x8e n PRO 124 Ca -0.03 0.26 0.00 0.00 -2.02 0.00 0.00 63.50 61.71 1x8e n PRO 124 Cb 0.67 -1.62 0.00 0.00 -0.02 0.00 0.00 33.50 32.53 1x8e n PRO 124 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1x8e n GLY 125 N 1.82 3.34 3.58 -1.23 0.00 -1.01 -5.01 105.19 106.68 1x8e n GLY 125 Ca 0.16 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.76 1x8e n GLY 125 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1x8e s THR 126 N -2.67 3.68 -0.08 2.61 2.01 -0.26 -4.82 115.64 116.10 1x8e s THR 126 Ca 0.00 0.59 -0.19 0.00 0.31 0.00 0.00 61.69 62.40 1x8e s THR 126 Cb 0.00 -4.19 -0.04 0.00 0.01 0.00 0.00 72.50 68.28 1x8e s THR 126 CO 0.00 -0.94 0.52 -0.69 -0.69 0.00 0.00 174.62 172.81 1x8e s VAL 127 N 6.64 5.11 -0.12 3.82 1.01 -1.26 -1.64 120.40 133.95 1x8e s VAL 127 Ca 0.61 1.06 0.00 0.00 0.00 0.00 0.00 61.98 63.64 1x8e s VAL 127 Cb -0.13 -3.86 -0.02 0.00 0.00 0.00 0.00 36.38 32.37 1x8e s VAL 127 CO 0.27 0.35 -0.12 -0.69 0.00 0.00 0.00 175.10 174.90 1x8e s VAL 128 N 0.38 3.12 -0.38 2.92 1.01 -0.43 -4.94 120.40 122.08 1x8e s VAL 128 Ca 0.28 -0.64 -0.19 0.00 0.00 0.00 0.00 61.98 61.42 1x8e s VAL 128 Cb -0.16 -2.30 0.01 0.00 0.00 0.00 0.00 36.38 33.92 1x8e s VAL 128 CO 0.13 0.53 0.57 -0.47 0.00 0.00 0.00 175.10 175.85 1x8e s TYR 129 N 0.22 3.14 -0.54 5.22 6.14 -1.26 -1.08 117.35 129.19 1x8e s TYR 129 Ca -0.08 0.09 -0.20 0.00 0.64 0.00 0.00 57.07 57.52 1x8e s TYR 129 Cb -0.15 -3.09 0.06 0.00 0.42 0.00 0.00 41.96 39.20 1x8e s TYR 129 CO 0.05 -0.67 0.70 0.08 0.64 0.00 0.00 175.55 176.35 1x8e s VAL 130 N 2.56 4.77 0.85 3.14 1.01 -0.38 -4.99 120.40 127.35 1x8e s VAL 130 Ca 0.20 -0.47 -0.12 0.00 0.00 0.00 0.00 61.98 61.60 1x8e s VAL 130 Cb -0.15 -4.39 0.10 0.00 0.00 0.00 0.00 36.38 31.94 1x8e s VAL 130 CO 0.15 -0.94 1.14 -2.84 0.00 0.00 0.00 175.10 172.61 1x8e s PRO 131 N 2.90 1.68 0.34 2.72 0.02 -1.26 -0.78 135.00 140.62 1x8e s PRO 131 Ca 0.17 0.32 -0.26 0.00 0.02 0.00 0.00 61.00 61.25 1x8e s PRO 131 Cb -0.19 -1.90 -0.13 0.00 0.02 0.00 0.00 34.50 32.30 1x8e s PRO 131 CO 0.12 -1.83 0.89 -2.30 -0.33 0.00 0.00 177.00 173.55 1x8e n PRO 132 N -3.52 1.11 -1.07 5.54 -0.02 -1.25 -3.11 135.00 132.68 1x8e n PRO 132 Ca 0.07 0.39 -0.02 0.00 -2.02 0.00 0.00 63.50 61.92 1x8e n PRO 132 Cb 0.59 -1.77 -0.01 0.00 -0.02 0.00 0.00 33.50 32.29 1x8e n PRO 132 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 1x8e n TYR 133 N -0.19 0.00 -4.62 6.00 4.01 -0.67 -4.88 117.16 116.82 1x8e n TYR 133 Ca 0.10 0.00 -0.33 0.00 -0.16 0.00 0.00 57.90 57.51 1x8e n TYR 133 Cb 0.35 -0.83 -0.12 0.00 -0.31 0.00 0.00 39.34 38.42 1x8e n TYR 133 CO 0.00 0.00 0.00 -1.58 -0.46 0.00 0.00 176.86 174.82 1x8e s TRP 134 N -1.95 2.91 0.68 -0.72 0.52 -1.18 -4.12 118.94 115.08 1x8e s TRP 134 Ca 0.00 -0.25 -0.08 0.00 0.02 0.00 0.00 56.10 55.79 1x8e s TRP 134 Cb 0.00 -1.81 0.03 0.00 -1.15 0.00 0.00 33.47 30.54 1x8e s TRP 134 CO 0.00 0.08 1.02 0.00 0.02 0.00 0.00 176.95 178.07 1x8e s ALA 135 N -0.17 3.07 0.02 0.98 0.00 -0.24 -4.73 121.76 120.69 1x8e s ALA 135 Ca 0.02 -0.64 -0.28 0.00 0.00 0.00 0.00 51.96 51.05 1x8e s ALA 135 Cb -0.13 -2.77 0.10 0.00 0.00 0.00 0.00 23.12 20.32 1x8e s ALA 135 CO 0.03 -1.12 0.94 -3.38 0.00 0.00 0.00 175.76 172.22 1x8e s HIS 136 N -3.23 -0.27 -0.18 0.00 -3.43 -0.97 -2.11 115.29 105.10 1x8e s HIS 136 Ca 0.58 0.10 -0.11 0.00 -0.80 0.00 0.00 55.06 54.83 1x8e s HIS 136 Cb -0.11 0.56 0.06 0.00 -1.43 0.00 0.00 32.58 31.66 1x8e s HIS 136 CO 0.47 -0.58 0.45 0.50 -2.00 0.00 0.00 174.74 173.57 1x8e s ARG 137 N -3.10 0.44 0.06 -0.38 3.52 -0.02 -2.18 118.95 117.29 1x8e s ARG 137 Ca 0.07 0.81 -0.12 0.00 -0.13 0.00 0.00 55.73 56.37 1x8e s ARG 137 Cb -0.01 0.03 -0.06 0.00 -1.56 0.00 0.00 34.95 33.36 1x8e s ARG 137 CO -0.06 -0.14 0.41 0.95 -0.81 0.00 0.00 175.30 175.65 1x8e s THR 138 N 1.26 5.06 -0.07 4.11 -4.23 -1.26 -0.98 115.64 119.53 1x8e s THR 138 Ca -0.08 0.61 0.02 0.00 -1.18 0.00 0.00 61.69 61.05 1x8e s THR 138 Cb -0.07 -3.67 0.02 0.00 1.34 0.00 0.00 72.50 70.11 1x8e s THR 138 CO -0.12 0.38 -0.10 -0.69 -0.54 0.00 0.00 174.62 173.56 1x8e s VAL 139 N -1.29 0.97 -0.20 2.29 1.01 0.19 -1.91 120.40 121.45 1x8e s VAL 139 Ca 0.30 -0.36 -0.23 0.00 0.00 0.00 0.00 61.98 61.69 1x8e s VAL 139 Cb -0.15 -0.92 -0.02 0.00 0.00 0.00 0.00 36.38 35.30 1x8e s VAL 139 CO 0.16 0.32 0.72 0.21 0.00 0.00 0.00 175.10 176.51 1x8e s ASN 140 N 0.86 6.78 0.00 3.32 3.84 -0.99 -1.12 114.94 127.62 1x8e s ASN 140 Ca -0.11 0.95 0.01 0.00 0.21 0.00 0.00 52.86 53.92 1x8e s ASN 140 Cb -0.15 -2.39 0.03 0.00 -0.55 0.00 0.00 41.25 38.19 1x8e s ASN 140 CO 0.01 -0.35 0.95 2.30 -2.79 0.00 0.00 177.10 177.22 1x8e n ILE 141 N 4.82 0.84 -4.18 -5.21 -5.35 -0.94 -4.29 119.36 105.05 1x8e n ILE 141 Ca 0.01 -0.92 -0.09 0.00 -0.27 0.00 0.00 62.75 61.49 1x8e n ILE 141 Cb 0.49 0.58 -0.02 0.00 -1.74 0.00 0.00 39.64 38.95 1x8e n ILE 141 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1x8e n GLY 142 N -0.32 3.92 0.05 3.28 0.00 -1.20 -4.97 105.19 105.95 1x8e n GLY 142 Ca 0.01 -2.11 0.12 0.00 0.00 0.00 0.00 46.02 44.05 1x8e n GLY 142 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1x8e n ASP 143 N -1.53 0.57 -4.81 1.61 8.00 -1.26 -4.57 116.55 114.56 1x8e n ASP 143 Ca -0.04 -0.34 -0.23 0.00 0.71 0.00 0.00 54.79 54.89 1x8e n ASP 143 Cb 0.19 0.17 -0.05 0.00 -0.02 0.00 0.00 41.12 41.41 1x8e n ASP 143 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 1x8e s GLU 144 N -2.89 2.36 0.30 -1.24 0.41 -1.26 -4.84 118.70 111.55 1x8e s GLU 144 Ca 0.14 -1.72 -0.29 0.00 -0.41 0.00 0.00 54.97 52.69 1x8e s GLU 144 Cb 0.18 -2.16 -0.11 0.00 -1.78 0.00 0.00 34.13 30.27 1x8e s GLU 144 CO 0.65 -0.18 1.45 -2.14 -0.49 0.00 0.00 175.26 174.54 1x8e s PRO 145 N -4.03 4.23 -0.43 0.39 0.02 -1.26 -4.37 135.00 129.55 1x8e s PRO 145 Ca 0.44 2.38 -0.21 0.00 0.02 0.00 0.00 61.00 63.63 1x8e s PRO 145 Cb 0.00 -3.06 0.02 0.00 0.02 0.00 0.00 34.50 31.49 1x8e s PRO 145 CO 0.25 -0.43 0.64 0.12 -0.33 0.00 0.00 177.00 177.25 1x8e s PHE 146 N -0.48 3.07 -0.05 6.54 5.36 0.43 -3.84 117.98 129.01 1x8e s PHE 146 Ca 0.56 -0.03 0.04 0.00 -0.96 0.00 0.00 56.93 56.54 1x8e s PHE 146 Cb -0.43 -3.32 -0.03 0.00 -0.34 0.00 0.00 43.02 38.90 1x8e s PHE 146 CO 0.50 -0.85 -0.15 0.42 -1.46 0.00 0.00 175.22 173.68 1x8e s ILE 147 N 2.80 2.99 0.26 3.12 1.01 -0.97 -1.10 121.20 129.31 1x8e s ILE 147 Ca 0.22 -0.75 -0.18 0.00 0.00 0.00 0.00 60.65 59.95 1x8e s ILE 147 Cb -0.14 -2.17 0.01 0.00 0.01 0.00 0.00 42.46 40.17 1x8e s ILE 147 CO 0.19 0.59 0.62 0.72 0.00 0.00 0.00 174.94 177.05 1x8e s PHE 148 N -0.70 0.02 0.06 3.97 -0.71 -0.91 -1.68 117.98 118.03 1x8e s PHE 148 Ca 0.11 -0.43 0.09 0.00 -1.04 0.00 0.00 56.93 55.65 1x8e s PHE 148 Cb -0.11 0.50 -0.03 0.00 -1.21 0.00 0.00 43.02 42.17 1x8e s PHE 148 CO 0.00 -1.13 -0.24 -1.17 -1.34 0.00 0.00 175.22 171.35 1x8e s LEU 149 N -2.95 2.20 0.01 -1.99 2.96 -0.54 0.07 118.68 118.43 1x8e s LEU 149 Ca 0.15 -0.59 -0.01 0.00 -0.22 0.00 0.00 54.13 53.46 1x8e s LEU 149 Cb -0.04 -1.12 -0.01 0.00 0.50 0.00 0.00 46.19 45.53 1x8e s LEU 149 CO 0.07 0.19 -0.00 0.00 -1.32 0.00 0.00 176.35 175.29 1x8e s ALA 150 N -0.87 0.04 -0.09 5.97 0.00 0.65 -0.80 121.76 126.65 1x8e s ALA 150 Ca 0.10 -0.32 -0.02 0.00 0.00 0.00 0.00 51.96 51.72 1x8e s ALA 150 Cb -0.10 0.08 0.04 0.00 0.00 0.00 0.00 23.12 23.14 1x8e s ALA 150 CO 0.03 -0.10 0.04 0.42 0.00 0.00 0.00 175.76 176.15 1x8e s ILE 151 N -0.87 0.16 0.07 0.00 1.09 -0.26 -1.82 121.20 119.56 1x8e s ILE 151 Ca -0.10 0.10 0.04 0.00 -1.10 0.00 0.00 60.65 59.60 1x8e s ILE 151 Cb -0.06 -0.47 -0.03 0.00 -1.06 0.00 0.00 42.46 40.84 1x8e s ILE 151 CO -0.00 0.09 -0.12 -0.72 -0.10 0.00 0.00 174.94 174.09 1x8e s TYR 152 N 2.05 1.10 0.16 3.97 1.13 -0.98 -2.11 117.35 122.66 1x8e s TYR 152 Ca 0.04 -0.49 -0.34 0.00 -1.41 0.00 0.00 57.07 54.87 1x8e s TYR 152 Cb -0.13 -0.62 -0.14 0.00 -1.10 0.00 0.00 41.96 39.96 1x8e s TYR 152 CO -0.05 0.03 1.49 -2.30 -2.51 0.00 0.00 175.55 172.20 1x8e n PRO 153 N 1.22 1.88 0.29 -3.49 -0.02 -1.26 -0.73 135.00 132.88 1x8e n PRO 153 Ca -0.21 0.68 0.17 0.00 -2.02 0.00 0.00 63.50 62.12 1x8e n PRO 153 Cb 0.55 -2.39 0.84 0.00 -0.02 0.00 0.00 33.50 32.47 1x8e n PRO 153 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1x8e h ALA 154 N 5.29 1.13 -0.66 3.55 0.00 -0.97 -1.87 119.26 125.73 1x8e h ALA 154 Ca -0.45 -0.05 -0.25 0.00 0.00 0.00 0.00 54.91 54.15 1x8e h ALA 154 Cb 1.28 -0.01 -0.15 0.00 0.00 0.00 0.00 17.79 18.91 1x8e h ALA 154 CO 0.84 0.07 0.25 -0.40 0.00 0.00 0.00 179.25 180.01 1x8e n ASP 155 N -3.34 4.02 0.19 0.00 5.75 -1.26 -4.26 116.55 117.66 1x8e n ASP 155 Ca -0.01 -3.39 0.07 0.00 -0.01 0.00 0.00 54.79 51.45 1x8e n ASP 155 Cb 0.22 -0.72 0.29 0.00 -1.03 0.00 0.00 41.12 39.87 1x8e n ASP 155 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1x8e h ALA 156 N 1.87 0.90 -0.83 2.12 0.00 -1.66 -3.41 119.26 118.26 1x8e h ALA 156 Ca 0.31 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1x8e h ALA 156 Cb 2.22 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.96 1x8e h ALA 156 CO 0.69 0.38 0.00 0.41 0.00 0.00 0.00 179.25 180.73 1x8e n GLY 157 N 0.58 -1.03 2.86 0.00 0.00 -1.26 -0.43 105.19 105.91 1x8e n GLY 157 Ca 0.01 -1.15 -0.12 0.00 0.00 0.00 0.00 46.02 44.76 1x8e n GLY 157 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1x8e s HIS 158 N 0.00 -0.82 -0.84 1.61 3.76 -1.26 -4.03 115.29 113.70 1x8e s HIS 158 Ca 0.00 0.13 -0.07 0.00 -0.15 0.00 0.00 55.06 54.97 1x8e s HIS 158 Cb 0.00 -0.26 0.22 0.00 1.11 0.00 0.00 32.58 33.64 1x8e s HIS 158 CO 0.00 -0.97 0.75 0.34 -0.85 0.00 0.00 174.74 174.01 1x8e s ASP 159 N 2.46 6.29 0.33 1.40 -1.08 0.45 -4.74 116.67 121.79 1x8e s ASP 159 Ca 0.10 -3.14 0.20 0.00 -0.52 0.00 0.00 52.55 49.19 1x8e s ASP 159 Cb -0.13 -2.05 0.18 0.00 -1.46 0.00 0.00 42.92 39.46 1x8e s ASP 159 CO -0.31 -0.38 1.43 1.88 0.52 0.00 0.00 175.17 178.31 1x8e h TYR 160 N 6.97 0.00 -0.52 -5.34 -1.99 -1.80 -1.08 116.97 113.21 1x8e h TYR 160 Ca 0.10 0.00 0.04 0.00 2.00 0.00 0.00 58.73 60.87 1x8e h TYR 160 Cb 0.94 0.00 -0.04 0.00 2.00 0.00 0.00 36.73 39.62 1x8e h TYR 160 CO 0.83 0.18 0.27 0.78 -0.00 0.00 0.00 178.16 180.23 1x8e h GLY 161 N 3.84 0.73 2.00 3.88 0.00 -1.92 -2.72 103.07 108.88 1x8e h GLY 161 Ca -0.01 -0.19 0.00 0.00 0.00 0.00 0.00 47.33 47.13 1x8e h GLY 161 CO 0.02 0.13 0.00 2.41 0.00 0.00 0.00 176.54 179.10 1x8e n THR 162 N -4.86 0.96 -0.09 4.70 -1.04 -1.26 -3.00 114.28 109.69 1x8e n THR 162 Ca 0.05 0.44 -0.08 0.00 -2.04 0.00 0.00 64.05 62.42 1x8e n THR 162 Cb 0.13 -1.40 -0.16 0.00 -1.82 0.00 0.00 70.33 67.08 1x8e n THR 162 CO 0.00 0.00 0.00 -0.38 -0.64 0.00 0.00 175.07 174.05 1x8e n ILE 163 N -2.20 1.24 -0.07 12.58 2.08 -1.03 -1.77 119.36 130.19 1x8e n ILE 163 Ca 0.01 -0.82 -0.22 0.00 0.56 0.00 0.00 62.75 62.28 1x8e n ILE 163 Cb 0.14 -0.41 -0.12 0.00 -0.75 0.00 0.00 39.64 38.49 1x8e n ILE 163 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 1x8e n ALA 164 N -2.69 0.85 0.01 -1.39 0.00 -1.24 -1.61 120.51 114.43 1x8e n ALA 164 Ca -0.30 -0.56 -0.10 0.00 0.00 0.00 0.00 53.44 52.48 1x8e n ALA 164 Cb 1.09 -0.56 -0.03 0.00 0.00 0.00 0.00 19.45 19.95 1x8e n ALA 164 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.50 178.55 1x8e h GLU 165 N -0.64 -0.29 0.00 0.00 4.11 -1.71 -3.33 114.58 112.72 1x8e h GLU 165 Ca -0.40 0.02 -0.40 0.00 0.07 0.00 0.00 59.36 58.65 1x8e h GLU 165 Cb 1.56 0.07 -0.07 0.00 0.50 0.00 0.00 28.75 30.81 1x8e h GLU 165 CO -0.13 -0.19 -2.48 1.63 0.07 0.00 0.00 179.01 177.91 1x8e n LYS 166 N -5.36 0.64 0.00 1.06 5.02 -0.73 -5.10 118.16 113.70 1x8e n LYS 166 Ca -0.03 0.17 0.00 0.00 -2.02 0.00 0.00 58.31 56.43 1x8e n LYS 166 Cb 0.27 -1.52 0.00 0.00 -0.02 0.00 0.00 35.03 33.76 1x8e n LYS 166 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1x8e n GLY 167 N 2.11 -1.06 3.70 0.72 0.00 -0.63 -4.59 105.19 105.43 1x8e n GLY 167 Ca -0.47 -2.14 -0.31 0.00 0.00 0.00 0.00 46.02 43.10 1x8e n GLY 167 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1x8e s PHE 168 N 0.00 3.06 0.44 1.61 0.40 -1.26 -4.54 117.98 117.69 1x8e s PHE 168 Ca 0.00 0.03 0.29 0.00 -0.60 0.00 0.00 56.93 56.65 1x8e s PHE 168 Cb 0.00 -1.60 1.55 0.00 0.51 0.00 0.00 43.02 43.47 1x8e s PHE 168 CO 0.00 0.48 2.11 0.66 0.70 0.00 0.00 175.22 179.17 1x8e h SER 169 N 3.78 0.00 -4.15 1.36 4.64 -1.92 -3.42 113.55 113.84 1x8e h SER 169 Ca -0.48 0.00 -0.47 0.00 -0.47 0.00 0.00 61.79 60.37 1x8e h SER 169 Cb 1.17 0.00 -0.29 0.00 -0.31 0.00 0.00 62.40 62.97 1x8e h SER 169 CO 0.60 0.09 -0.81 -0.54 -0.87 0.00 0.00 176.83 175.30 1x8e s LYS 170 N -4.24 1.08 0.39 4.77 1.02 -1.26 -0.98 119.74 120.52 1x8e s LYS 170 Ca -0.03 -0.47 0.08 0.00 0.02 0.00 0.00 55.97 55.57 1x8e s LYS 170 Cb 0.13 -1.04 -0.04 0.00 -0.52 0.00 0.00 37.83 36.36 1x8e s LYS 170 CO 0.57 0.27 0.22 0.96 -0.92 0.00 0.00 175.35 176.45 1x8e s ILE 171 N -0.27 2.59 -0.17 2.17 -4.36 0.50 -4.78 121.20 116.88 1x8e s ILE 171 Ca 0.04 -1.60 -0.01 0.00 -0.26 0.00 0.00 60.65 58.82 1x8e s ILE 171 Cb -0.05 -3.00 0.04 0.00 1.25 0.00 0.00 42.46 40.70 1x8e s ILE 171 CO -0.00 -0.05 -0.04 -0.69 0.24 0.00 0.00 174.94 174.40 1x8e s VAL 172 N -2.52 1.04 0.22 8.37 1.01 -1.26 -1.86 120.40 125.40 1x8e s VAL 172 Ca 0.42 -0.62 0.03 0.00 0.00 0.00 0.00 61.98 61.81 1x8e s VAL 172 Cb 0.00 -1.25 -0.05 0.00 0.00 0.00 0.00 36.38 35.08 1x8e s VAL 172 CO 0.24 0.09 0.01 0.27 0.00 0.00 0.00 175.10 175.71 1x8e s ILE 173 N 1.66 0.91 -0.18 2.22 -4.36 -0.95 -2.67 121.20 117.83 1x8e s ILE 173 Ca 0.00 -2.02 -0.17 0.00 -0.26 0.00 0.00 60.65 58.21 1x8e s ILE 173 Cb -0.15 -2.33 -0.04 0.00 1.25 0.00 0.00 42.46 41.19 1x8e s ILE 173 CO -0.08 -0.32 0.43 -0.70 0.24 0.00 0.00 174.94 174.52 1x8e s GLU 174 N -3.89 4.21 -0.23 0.37 2.12 -0.08 -1.32 118.70 119.89 1x8e s GLU 174 Ca 0.28 0.29 -0.04 0.00 0.36 0.00 0.00 54.97 55.86 1x8e s GLU 174 Cb 0.06 -3.52 0.08 0.00 0.26 0.00 0.00 34.13 31.01 1x8e s GLU 174 CO 0.08 -0.02 0.10 -2.00 -0.54 0.00 0.00 175.26 172.88 1x8e s GLU 175 N 1.22 0.24 -0.86 4.30 2.12 -1.13 -4.83 118.70 119.77 1x8e s GLU 175 Ca 0.21 -0.36 -0.03 0.00 0.36 0.00 0.00 54.97 55.16 1x8e s GLU 175 Cb -0.15 -1.66 0.00 0.00 0.26 0.00 0.00 34.13 32.59 1x8e s GLU 175 CO 0.08 -0.81 0.34 0.09 -0.54 0.00 0.00 175.26 174.43 1x8e n ASN 176 N 5.20 -4.09 0.00 -1.70 4.13 -1.26 -3.46 115.26 114.08 1x8e n ASN 176 Ca -0.07 -0.16 0.00 0.00 1.68 0.00 0.00 54.58 56.03 1x8e n ASN 176 Cb 0.46 -2.97 0.00 0.00 -1.54 0.00 0.00 39.78 35.72 1x8e n ASN 176 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1x8e n GLY 177 N -1.18 2.80 3.87 7.41 0.00 -1.26 -5.03 105.19 111.81 1x8e n GLY 177 Ca -0.06 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.59 1x8e n GLY 177 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1x8e s GLU 178 N -0.03 3.54 0.01 1.61 -1.05 -1.22 -5.06 118.70 116.49 1x8e s GLU 178 Ca 0.00 -0.02 -0.30 0.00 -0.15 0.00 0.00 54.97 54.50 1x8e s GLU 178 Cb 0.00 -3.19 -0.05 0.00 -0.44 0.00 0.00 34.13 30.45 1x8e s GLU 178 CO 0.00 0.76 1.24 0.08 0.95 0.00 0.00 175.26 178.29 1x8e s VAL 179 N -1.04 4.01 0.01 1.83 1.01 -1.26 -2.83 120.40 122.13 1x8e s VAL 179 Ca 0.17 1.41 0.04 0.00 0.00 0.00 0.00 61.98 63.60 1x8e s VAL 179 Cb -0.13 -3.90 -0.01 0.00 0.00 0.00 0.00 36.38 32.33 1x8e s VAL 179 CO 0.06 0.05 -0.13 -0.54 0.00 0.00 0.00 175.10 174.54 1x8e s LYS 180 N 1.68 1.01 -0.25 2.72 1.02 -0.43 -5.00 119.74 120.49 1x8e s LYS 180 Ca 0.59 -0.57 -0.00 0.00 0.02 0.00 0.00 55.97 56.00 1x8e s LYS 180 Cb -0.29 -0.99 0.03 0.00 -0.52 0.00 0.00 37.83 36.07 1x8e s LYS 180 CO 0.26 0.26 -0.08 0.08 -0.92 0.00 0.00 175.35 174.95 1x8e s VAL 181 N -0.51 2.65 0.26 3.17 1.01 -1.26 -2.23 120.40 123.48 1x8e s VAL 181 Ca 0.04 -1.15 0.01 0.00 0.00 0.00 0.00 61.98 60.88 1x8e s VAL 181 Cb -0.06 -2.37 -0.05 0.00 0.00 0.00 0.00 36.38 33.90 1x8e s VAL 181 CO 0.00 0.18 0.09 0.68 0.00 0.00 0.00 175.10 176.05 1x8e s VAL 182 N 1.27 0.59 0.32 2.92 -7.23 -0.78 -4.98 120.40 112.51 1x8e s VAL 182 Ca -0.01 -2.00 -0.27 0.00 -1.81 0.00 0.00 61.98 57.89 1x8e s VAL 182 Cb -0.17 -2.61 -0.09 0.00 0.56 0.00 0.00 36.38 34.06 1x8e s VAL 182 CO -0.05 -0.03 1.00 -1.81 -0.31 0.00 0.00 175.10 173.90 1x8e s ASP 183 N -3.31 7.25 -0.32 4.85 1.01 -1.26 -0.37 116.67 124.52 1x8e s ASP 183 Ca 0.37 2.00 -0.26 0.00 0.71 0.00 0.00 52.55 55.36 1x8e s ASP 183 Cb 0.08 -2.60 0.01 0.00 1.01 0.00 0.00 42.92 41.42 1x8e s ASP 183 CO 0.13 -0.14 0.94 0.21 0.21 0.00 0.00 175.17 176.53 1x8e s ASN 184 N -1.37 6.79 0.48 0.27 3.84 -0.15 -4.62 114.94 120.18 1x8e s ASN 184 Ca 0.49 0.83 0.15 0.00 0.21 0.00 0.00 52.86 54.54 1x8e s ASN 184 Cb -0.24 -2.48 1.11 0.00 -0.55 0.00 0.00 41.25 39.09 1x8e s ASN 184 CO 0.30 -0.77 2.05 -0.65 -2.79 0.00 0.00 177.10 175.24 1x8e h PRO 185 N 8.15 0.00 0.00 0.43 0.11 -1.94 0.10 132.00 138.86 1x8e h PRO 185 Ca -0.22 -0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.86 1x8e h PRO 185 Cb 1.08 -0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.18 1x8e h PRO 185 CO 0.97 0.11 -0.11 0.00 -0.21 0.00 0.00 178.00 178.76 1x8e h ARG 186 N 0.00 0.00 -6.94 1.05 3.08 -1.95 -3.46 114.38 106.17 1x8e h ARG 186 Ca -0.00 0.00 -0.53 0.00 0.07 0.00 0.00 59.98 59.52 1x8e h ARG 186 Cb 0.19 0.00 0.09 0.00 0.08 0.00 0.00 29.97 30.34 1x8e h ARG 186 CO 0.01 0.11 0.70 -0.46 -1.07 0.00 0.00 179.97 179.27 1x8e s TRP 187 N -4.50 2.73 0.00 3.04 -0.11 0.36 -5.01 118.94 115.44 1x8e s TRP 187 Ca -0.04 1.29 0.00 0.00 1.22 0.00 0.00 56.10 58.58 1x8e s TRP 187 Cb 0.15 -3.85 0.00 0.00 -1.50 0.00 0.00 33.47 28.26 1x8e s TRP 187 CO 0.63 -2.53 0.21 1.63 -4.62 0.00 0.00 176.95 172.27