#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2b3m s LYS 7 N 0.00 3.12 0.21 5.55 1.02 -1.26 -4.93 119.74 123.45 2b3m s LYS 7 Ca 0.00 -0.82 -0.10 0.00 0.02 0.00 0.00 55.97 55.06 2b3m s LYS 7 Cb 0.00 -4.21 0.15 0.00 -0.52 0.00 0.00 37.83 33.25 2b3m s LYS 7 CO 0.00 -1.74 1.85 1.98 -0.92 0.00 0.00 175.35 176.52 2b3m h MET 8 N 9.49 1.01 -0.61 1.68 1.85 -2.05 -2.05 114.93 124.25 2b3m h MET 8 Ca -0.29 -0.09 -0.04 0.00 -0.61 0.00 0.00 59.70 58.67 2b3m h MET 8 Cb 1.07 -0.21 -0.03 0.00 0.43 0.00 0.00 31.60 32.86 2b3m h MET 8 CO 1.16 0.71 0.20 0.52 -0.40 0.00 0.00 176.91 179.10 2b3m h MET 9 N 1.02 0.91 -0.50 0.39 2.86 -1.99 0.20 114.93 117.82 2b3m h MET 9 Ca 0.27 -0.17 -0.11 0.00 -2.06 0.00 0.00 59.70 57.63 2b3m h MET 9 Cb -0.05 -0.15 -0.02 0.00 0.06 0.00 0.00 31.60 31.45 2b3m h MET 9 CO -0.05 0.78 -0.12 0.77 1.06 0.00 0.00 176.91 179.34 2b3m h SER 10 N 0.89 0.98 -0.25 1.22 0.02 -1.93 -2.27 113.55 112.20 2b3m h SER 10 Ca 0.20 -0.36 -0.02 0.00 -0.84 0.00 0.00 61.79 60.77 2b3m h SER 10 Cb 0.24 -0.27 -0.01 0.00 0.14 0.00 0.00 62.40 62.50 2b3m h SER 10 CO -0.01 1.11 0.09 0.25 -1.14 0.00 0.00 176.83 177.13 2b3m h LEU 11 N 0.83 0.36 -0.76 5.07 5.85 -0.90 -1.34 115.31 124.42 2b3m h LEU 11 Ca 0.13 -0.19 0.02 0.00 0.84 0.00 0.00 57.88 58.68 2b3m h LEU 11 Cb 0.69 -0.09 -0.04 0.00 0.37 0.00 0.00 40.66 41.58 2b3m h LEU 11 CO 0.05 0.45 0.49 0.25 -0.34 0.00 0.00 178.44 179.35 2b3m h LEU 12 N 0.25 0.84 -0.40 2.25 5.85 -0.96 0.15 115.31 123.29 2b3m h LEU 12 Ca 0.08 -0.01 -0.03 0.00 0.84 0.00 0.00 57.88 58.76 2b3m h LEU 12 Cb 0.21 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 41.03 2b3m h LEU 12 CO -0.00 0.59 0.13 -0.08 -0.34 0.00 0.00 178.44 178.73 2b3m h GLU 13 N 0.99 0.62 -0.33 1.25 4.57 -1.26 0.10 114.58 120.51 2b3m h GLU 13 Ca 0.29 -0.13 -0.01 0.00 -1.18 0.00 0.00 59.36 58.33 2b3m h GLU 13 Cb -0.05 -0.09 -0.02 0.00 -0.16 0.00 0.00 28.75 28.43 2b3m h GLU 13 CO -0.09 0.62 0.18 1.49 -1.18 0.00 0.00 179.01 180.03 2b3m h GLU 14 N 0.50 0.47 -0.16 1.92 4.81 -0.84 -2.77 114.58 118.51 2b3m h GLU 14 Ca 0.13 -0.06 -0.10 0.00 -0.13 0.00 0.00 59.36 59.20 2b3m h GLU 14 Cb 0.26 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 29.53 2b3m h GLU 14 CO -0.00 0.40 -0.33 0.52 -0.73 0.00 0.00 179.01 178.86 2b3m h MET 15 N 0.41 0.32 -0.45 1.92 2.86 -0.77 -2.57 114.93 116.65 2b3m h MET 15 Ca 0.12 -0.13 0.03 0.00 -2.06 0.00 0.00 59.70 57.66 2b3m h MET 15 Cb 0.07 -0.01 -0.04 0.00 0.06 0.00 0.00 31.60 31.68 2b3m h MET 15 CO -0.02 0.62 0.23 -0.22 1.06 0.00 0.00 176.91 178.58 2b3m h LYS 16 N 0.28 0.45 -0.08 1.72 3.64 -0.65 0.16 116.57 122.09 2b3m h LYS 16 Ca 0.03 -0.03 0.01 0.00 -1.27 0.00 0.00 60.65 59.40 2b3m h LYS 16 Cb 0.72 -0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 32.43 2b3m h LYS 16 CO 0.06 0.30 0.01 0.78 -2.27 0.00 0.00 179.45 178.33 2b3m h GLY 17 N 0.47 0.08 0.92 5.01 0.00 -1.20 -0.74 103.07 107.61 2b3m h GLY 17 Ca 0.19 -0.01 -0.01 0.00 0.00 0.00 0.00 47.33 47.51 2b3m h GLY 17 CO -0.13 0.00 0.11 -2.22 0.00 0.00 0.00 176.54 174.30 2b3m h ILE 18 N 0.05 1.14 -0.37 2.60 2.04 -1.29 -2.35 117.51 119.33 2b3m h ILE 18 Ca 0.03 -0.42 0.07 0.00 1.00 0.00 0.00 64.86 65.55 2b3m h ILE 18 Cb 0.03 1.00 -0.06 0.00 -0.74 0.00 0.00 36.82 37.05 2b3m h ILE 18 CO -0.05 0.14 -0.03 0.22 0.00 0.00 0.00 178.15 178.44 2b3m h TYR 19 N 0.23 -0.08 -0.61 1.37 3.20 -0.60 -2.21 116.97 118.28 2b3m h TYR 19 Ca 0.08 0.03 -0.05 0.00 3.14 0.00 0.00 58.73 61.92 2b3m h TYR 19 Cb 0.13 0.09 -0.03 0.00 1.54 0.00 0.00 36.73 38.46 2b3m h TYR 19 CO -0.02 -0.10 0.17 0.77 -1.64 0.00 0.00 178.16 177.34 2b3m h SER 20 N 0.07 0.88 0.60 -2.11 0.02 -1.06 -0.65 113.55 111.30 2b3m h SER 20 Ca 0.18 -0.16 -0.04 0.00 -0.84 0.00 0.00 61.79 60.93 2b3m h SER 20 Cb 0.26 -0.23 -0.01 0.00 0.14 0.00 0.00 62.40 62.57 2b3m h SER 20 CO -0.33 0.84 -0.20 0.11 -1.14 0.00 0.00 176.83 176.11 2b3m h LYS 21 N 0.90 0.00 -0.54 3.45 1.57 -1.08 -2.88 116.57 118.00 2b3m h LYS 21 Ca 0.20 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.98 2b3m h LYS 21 Cb 0.29 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.60 2b3m h LYS 21 CO -0.00 0.20 0.00 1.63 -0.57 0.00 0.00 179.45 180.70 2b3m n LYS 22 N -3.58 2.35 -0.09 3.15 4.76 -0.86 -4.91 118.16 118.98 2b3m n LYS 22 Ca -0.01 -1.89 0.00 0.00 -2.87 0.00 0.00 58.31 53.54 2b3m n LYS 22 Cb 0.34 -1.47 0.00 0.00 -1.84 0.00 0.00 35.03 32.06 2b3m n LYS 22 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2b3m n GLY 23 N 1.22 0.76 3.80 0.72 0.00 -1.09 -4.56 105.19 106.05 2b3m n GLY 23 Ca 0.17 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.85 2b3m n GLY 23 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2b3m s GLY 24 N -1.57 2.51 -0.40 -0.02 0.00 -0.30 -4.92 107.32 102.61 2b3m s GLY 24 Ca 0.00 0.56 -0.15 0.00 0.00 0.00 0.00 44.72 45.13 2b3m s GLY 24 CO 0.00 0.88 0.29 0.54 0.00 0.00 0.00 173.10 174.81 2b3m s LYS 25 N -3.10 2.98 -0.30 2.90 -0.14 -1.26 -4.39 119.74 116.44 2b3m s LYS 25 Ca 0.64 -1.01 -0.29 0.00 -1.36 0.00 0.00 55.97 53.95 2b3m s LYS 25 Cb -0.15 -3.96 0.01 0.00 -1.68 0.00 0.00 37.83 32.05 2b3m s LYS 25 CO 0.19 -0.73 1.18 0.08 -0.76 0.00 0.00 175.35 175.30 2b3m s VAL 26 N 1.67 4.35 -0.32 3.17 1.01 -1.26 -5.00 120.40 124.03 2b3m s VAL 26 Ca 0.05 1.55 -0.22 0.00 0.00 0.00 0.00 61.98 63.36 2b3m s VAL 26 Cb -0.19 -4.28 -0.00 0.00 0.00 0.00 0.00 36.38 31.90 2b3m s VAL 26 CO 0.10 -0.46 0.69 -0.54 0.00 0.00 0.00 175.10 174.90 2b3m s LYS 27 N 3.84 3.88 0.41 2.72 -0.14 -1.26 -5.05 119.74 124.14 2b3m s LYS 27 Ca 0.50 0.36 -0.27 0.00 -1.36 0.00 0.00 55.97 55.20 2b3m s LYS 27 Cb -0.15 -3.75 -0.10 0.00 -1.68 0.00 0.00 37.83 32.16 2b3m s LYS 27 CO 0.18 -0.65 1.42 -2.30 -0.76 0.00 0.00 175.35 173.24 2b3m n PRO 28 N 6.05 2.36 -3.16 -1.68 -0.02 -1.26 -4.93 135.00 132.37 2b3m n PRO 28 Ca 0.01 0.83 -0.45 0.00 -2.02 0.00 0.00 63.50 61.87 2b3m n PRO 28 Cb 0.48 -2.58 -0.04 0.00 -0.02 0.00 0.00 33.50 31.35 2b3m n PRO 28 CO 0.00 0.00 0.00 0.12 1.98 0.00 0.00 175.50 177.60 2b3m s PHE 29 N -1.15 3.20 -0.11 6.00 5.36 -1.26 -5.00 117.98 125.02 2b3m s PHE 29 Ca 0.57 -1.27 0.03 0.00 -0.96 0.00 0.00 56.93 55.30 2b3m s PHE 29 Cb -0.48 -3.98 0.01 0.00 -0.34 0.00 0.00 43.02 38.22 2b3m s PHE 29 CO 0.61 -1.23 -0.20 -1.21 -1.46 0.00 0.00 175.22 171.73 2b3m s GLU 30 N 2.04 2.65 0.40 10.12 2.02 -1.26 -5.11 118.70 129.56 2b3m s GLU 30 Ca 0.14 -0.73 -0.26 0.00 0.02 0.00 0.00 54.97 54.14 2b3m s GLU 30 Cb -0.20 -2.10 -0.09 0.00 0.10 0.00 0.00 34.13 31.85 2b3m s GLU 30 CO 0.01 0.06 1.21 0.15 0.02 0.00 0.00 175.26 176.71 2b3m s LYS 31 N 0.64 4.05 0.85 1.61 -0.14 -1.26 -4.87 119.74 120.62 2b3m s LYS 31 Ca -0.13 1.95 -0.11 0.00 -1.36 0.00 0.00 55.97 56.32 2b3m s LYS 31 Cb -0.16 -2.73 0.10 0.00 -1.68 0.00 0.00 37.83 33.36 2b3m s LYS 31 CO 0.03 -0.35 1.10 -0.06 -0.76 0.00 0.00 175.35 175.31 2b3m s PHE 32 N -1.35 2.27 0.43 3.18 2.99 0.13 -5.01 117.98 120.63 2b3m s PHE 32 Ca 0.56 1.50 0.07 0.00 0.00 0.00 0.00 56.93 59.06 2b3m s PHE 32 Cb -0.33 -3.14 -0.03 0.00 0.00 0.00 0.00 43.02 39.52 2b3m s PHE 32 CO 0.42 -2.24 0.26 -1.21 -0.00 0.00 0.00 175.22 172.45 2b3m s GLU 33 N -4.85 2.33 0.00 0.44 2.02 -1.26 -4.30 118.70 113.08 2b3m s GLU 33 Ca 0.63 -1.77 0.00 0.00 0.02 0.00 0.00 54.97 53.85 2b3m s GLU 33 Cb -0.19 -2.12 0.00 0.00 0.10 0.00 0.00 34.13 31.93 2b3m s GLU 33 CO 0.57 -0.19 0.00 0.41 0.02 0.00 0.00 175.26 176.07 2b3m n GLY 34 N -1.39 0.89 3.69 -1.39 0.00 -1.26 -4.92 105.19 100.81 2b3m n GLY 34 Ca 0.00 -1.97 -0.41 0.00 0.00 0.00 0.00 46.02 43.65 2b3m n GLY 34 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2b3m s GLU 35 N -1.86 4.37 0.26 1.61 0.41 -1.26 -4.92 118.70 117.32 2b3m s GLU 35 Ca 0.00 0.97 -0.30 0.00 -0.41 0.00 0.00 54.97 55.23 2b3m s GLU 35 Cb 0.00 -3.51 -0.09 0.00 -1.78 0.00 0.00 34.13 28.74 2b3m s GLU 35 CO 0.00 -0.13 1.30 -0.51 -0.49 0.00 0.00 175.26 175.42 2b3m s LEU 36 N 1.47 4.43 0.02 1.80 1.43 -1.26 -4.93 118.68 121.65 2b3m s LEU 36 Ca 0.38 2.51 -0.29 0.00 -1.03 0.00 0.00 54.13 55.70 2b3m s LEU 36 Cb -0.17 -3.63 0.11 0.00 0.03 0.00 0.00 46.19 42.53 2b3m s LEU 36 CO 0.16 -0.50 1.22 -1.59 0.23 0.00 0.00 176.35 175.87 2b3m s LYS 37 N -0.87 0.57 0.09 1.70 0.00 -1.26 -5.06 119.74 114.90 2b3m s LYS 37 Ca 0.53 -0.31 -0.35 0.00 0.00 0.00 0.00 55.97 55.83 2b3m s LYS 37 Cb -0.38 0.19 -0.14 0.00 0.00 0.00 0.00 37.83 37.50 2b3m s LYS 37 CO 0.44 -0.26 1.57 -1.91 0.00 0.00 0.00 175.35 175.19 2b3m n GLU 38 N -0.49 1.85 -0.20 1.78 0.00 -1.26 -1.40 120.64 120.92 2b3m n GLU 38 Ca -0.08 0.67 0.00 0.00 0.00 0.00 0.00 57.16 57.75 2b3m n GLU 38 Cb 0.62 -2.41 0.00 0.00 0.00 0.00 0.00 31.44 29.65 2b3m n GLU 38 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 2b3m n GLY 39 N 3.36 0.75 3.71 8.31 0.00 0.69 -4.99 105.19 117.01 2b3m n GLY 39 Ca 0.19 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.79 2b3m n GLY 39 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 2b3m s TYR 40 N -2.51 3.07 0.07 1.61 5.04 -0.49 -4.69 117.35 119.45 2b3m s TYR 40 Ca 0.00 0.74 0.08 0.00 -2.44 0.00 0.00 57.07 55.45 2b3m s TYR 40 Cb 0.00 -3.82 -0.04 0.00 0.35 0.00 0.00 41.96 38.46 2b3m s TYR 40 CO 0.00 -2.98 -0.18 1.03 -1.34 0.00 0.00 175.55 172.08 2b3m s ARG 41 N 1.33 1.97 0.14 4.97 0.52 -1.26 -1.05 118.95 125.56 2b3m s ARG 41 Ca 0.68 -1.05 -0.12 0.00 -0.52 0.00 0.00 55.73 54.71 2b3m s ARG 41 Cb -0.40 -2.16 0.01 0.00 0.52 0.00 0.00 34.95 32.92 2b3m s ARG 41 CO 0.31 0.52 0.33 -0.59 0.02 0.00 0.00 175.30 175.88 2b3m s PHE 42 N -1.01 0.09 0.04 -0.53 -0.12 -0.59 -5.01 117.98 110.86 2b3m s PHE 42 Ca 0.16 -0.46 -0.10 0.00 -0.05 0.00 0.00 56.93 56.48 2b3m s PHE 42 Cb -0.11 0.10 0.01 0.00 -0.63 0.00 0.00 43.02 42.39 2b3m s PHE 42 CO 0.07 -0.70 0.21 -1.83 -0.05 0.00 0.00 175.22 172.92 2b3m s GLU 43 N -3.88 0.72 -0.22 1.99 -1.05 -1.26 -1.12 118.70 113.87 2b3m s GLU 43 Ca 0.09 -0.64 -0.20 0.00 -0.15 0.00 0.00 54.97 54.07 2b3m s GLU 43 Cb 0.03 0.30 0.06 0.00 -0.44 0.00 0.00 34.13 34.07 2b3m s GLU 43 CO -0.07 -0.21 0.58 -0.47 0.95 0.00 0.00 175.26 176.05 2b3m s TYR 44 N -2.65 -0.67 0.03 4.83 5.04 -0.66 -4.99 117.35 118.27 2b3m s TYR 44 Ca -0.04 1.59 -0.04 0.00 -2.44 0.00 0.00 57.07 56.14 2b3m s TYR 44 Cb -0.01 0.25 -0.01 0.00 0.35 0.00 0.00 41.96 42.53 2b3m s TYR 44 CO -0.04 -0.32 0.05 -1.83 -1.34 0.00 0.00 175.55 172.06 2b3m s GLU 45 N 0.43 0.48 -0.16 4.97 -1.05 -1.26 0.32 118.70 122.43 2b3m s GLU 45 Ca -0.01 -0.69 -0.21 0.00 -0.15 0.00 0.00 54.97 53.91 2b3m s GLU 45 Cb -0.04 0.18 0.05 0.00 -0.44 0.00 0.00 34.13 33.88 2b3m s GLU 45 CO -0.01 -0.11 0.55 0.21 0.95 0.00 0.00 175.26 176.85 2b3m s LYS 46 N -2.14 0.73 0.27 -4.83 2.20 -0.55 -4.98 119.74 110.44 2b3m s LYS 46 Ca -0.09 0.56 -0.29 0.00 -0.36 0.00 0.00 55.97 55.79 2b3m s LYS 46 Cb -0.04 0.35 -0.09 0.00 -1.51 0.00 0.00 37.83 36.53 2b3m s LYS 46 CO -0.03 -0.14 1.00 0.21 -0.36 0.00 0.00 175.35 176.03 2b3m s LYS 47 N -0.19 4.72 -0.31 4.03 2.20 -1.26 -1.25 119.74 127.68 2b3m s LYS 47 Ca -0.04 1.57 -0.02 0.00 -0.36 0.00 0.00 55.97 57.12 2b3m s LYS 47 Cb -0.03 -3.15 0.05 0.00 -1.51 0.00 0.00 37.83 33.19 2b3m s LYS 47 CO 0.03 0.36 0.02 -0.51 -0.36 0.00 0.00 175.35 174.88 2b3m s LEU 48 N -1.46 3.99 0.00 5.43 1.43 -0.63 -4.82 118.68 122.63 2b3m s LEU 48 Ca 0.44 -1.28 0.04 0.00 -1.03 0.00 0.00 54.13 52.30 2b3m s LEU 48 Cb -0.27 -1.73 0.04 0.00 0.03 0.00 0.00 46.19 44.26 2b3m s LEU 48 CO 0.34 -0.28 0.36 0.00 0.23 0.00 0.00 176.35 177.00 2b3m h GLU 50 N 0.00 0.42 -0.91 0.00 3.07 -1.94 -1.24 114.58 113.99 2b3m h GLU 50 Ca -0.23 -0.03 0.05 0.00 -0.50 0.00 0.00 59.36 58.65 2b3m h GLU 50 Cb 0.90 -0.10 -0.06 0.00 -0.84 0.00 0.00 28.75 28.66 2b3m h GLU 50 CO 0.36 0.28 0.59 0.97 -1.40 0.00 0.00 179.01 179.81 2b3m h ILE 51 N 0.44 1.11 -0.51 3.13 6.09 -1.94 0.94 117.51 126.76 2b3m h ILE 51 Ca 0.31 -0.37 -0.07 0.00 -1.37 0.00 0.00 64.86 63.36 2b3m h ILE 51 Cb 0.37 -0.07 -0.02 0.00 0.47 0.00 0.00 36.82 37.57 2b3m h ILE 51 CO -0.29 0.20 0.05 0.44 -3.07 0.00 0.00 178.15 175.48 2b3m h ASP 52 N 1.08 0.84 -0.26 2.19 3.32 -1.62 0.17 116.42 122.14 2b3m h ASP 52 Ca 0.38 -0.28 -0.03 0.00 0.02 0.00 0.00 57.03 57.11 2b3m h ASP 52 Cb 0.12 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 39.43 2b3m h ASP 52 CO -0.13 0.91 0.03 0.58 -1.72 0.00 0.00 179.24 178.91 2b3m h VAL 53 N 0.75 1.24 -0.33 -1.35 2.07 -0.83 -0.90 116.25 116.89 2b3m h VAL 53 Ca 0.15 -0.82 0.03 0.00 0.82 0.00 0.00 66.70 66.88 2b3m h VAL 53 Cb 0.45 1.29 -0.03 0.00 -1.52 0.00 0.00 31.29 31.47 2b3m h VAL 53 CO 0.02 0.26 0.13 0.00 0.02 0.00 0.00 177.57 178.00 2b3m h ALA 54 N 0.84 0.39 -0.58 1.67 0.00 -0.69 -0.36 119.26 120.54 2b3m h ALA 54 Ca 0.08 0.03 -0.05 0.00 0.00 0.00 0.00 54.91 54.96 2b3m h ALA 54 Cb 0.36 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.12 2b3m h ALA 54 CO 0.01 -0.26 0.15 0.52 0.00 0.00 0.00 179.25 179.67 2b3m h MET 55 N 0.29 0.91 -0.45 0.00 2.07 -0.89 -0.83 114.93 116.03 2b3m h MET 55 Ca 0.15 -0.21 -0.01 0.00 -2.07 0.00 0.00 59.70 57.56 2b3m h MET 55 Cb 0.10 -0.12 -0.02 0.00 -1.87 0.00 0.00 31.60 29.68 2b3m h MET 55 CO -0.13 0.84 0.26 0.35 1.07 0.00 0.00 176.91 179.30 2b3m h PHE 56 N 0.82 0.61 -0.75 -0.22 3.57 -0.94 -0.19 116.94 119.85 2b3m h PHE 56 Ca 0.18 -0.01 0.06 0.00 3.53 0.00 0.00 57.97 61.74 2b3m h PHE 56 Cb 0.33 -0.20 -0.06 0.00 2.79 0.00 0.00 35.95 38.81 2b3m h PHE 56 CO 0.02 0.45 0.43 0.78 -2.23 0.00 0.00 178.31 177.76 2b3m h GLY 57 N 0.60 1.11 0.80 2.40 0.00 -0.80 -1.33 103.07 105.85 2b3m h GLY 57 Ca 0.16 -0.30 -0.02 0.00 0.00 0.00 0.00 47.33 47.16 2b3m h GLY 57 CO -0.03 0.18 0.01 1.41 0.00 0.00 0.00 176.54 178.11 2b3m h LEU 58 N 0.78 0.27 -0.42 3.11 3.38 -0.59 0.12 115.31 121.96 2b3m h LEU 58 Ca 0.34 -0.30 -0.18 0.00 0.09 0.00 0.00 57.88 57.83 2b3m h LEU 58 Cb 0.21 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 40.87 2b3m h LEU 58 CO -0.19 0.50 -0.78 0.16 0.09 0.00 0.00 178.44 178.22 2b3m h ILE 59 N 0.03 1.46 0.00 1.22 3.07 -0.90 -3.20 117.51 119.18 2b3m h ILE 59 Ca 0.05 -2.40 -0.21 0.00 1.55 0.00 0.00 64.86 63.85 2b3m h ILE 59 Cb 0.36 2.30 -0.03 0.00 -0.27 0.00 0.00 36.82 39.17 2b3m h ILE 59 CO 0.01 0.70 -1.33 0.77 -1.05 0.00 0.00 178.15 177.24 2b3m h SER 60 N 0.13 0.00 0.00 2.16 4.64 -1.31 -3.48 113.55 115.68 2b3m h SER 60 Ca -0.03 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.29 2b3m h SER 60 Cb 1.36 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.45 2b3m h SER 60 CO 0.12 0.77 0.00 0.61 -0.87 0.00 0.00 176.83 177.46 2b3m n GLY 61 N 1.42 0.70 3.51 -0.77 0.00 0.38 -5.01 105.19 105.42 2b3m n GLY 61 Ca -0.09 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.51 2b3m n GLY 61 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2b3m s ASP 62 N -2.35 6.55 -0.48 1.61 -1.08 -1.02 -4.81 116.67 115.10 2b3m s ASP 62 Ca 0.00 -1.70 0.03 0.00 -0.52 0.00 0.00 52.55 50.36 2b3m s ASP 62 Cb 0.00 -2.50 0.52 0.00 -1.46 0.00 0.00 42.92 39.48 2b3m s ASP 62 CO 0.00 -1.32 1.76 0.18 0.52 0.00 0.00 175.17 176.31 2b3m n LEU 63 N 7.89 6.31 -4.70 -1.34 4.77 -1.26 -4.25 117.00 124.42 2b3m n LEU 63 Ca 0.29 -4.08 -0.54 0.00 -0.03 0.00 0.00 56.01 51.65 2b3m n LEU 63 Cb 0.50 -0.78 -0.06 0.00 -2.33 0.00 0.00 43.42 40.75 2b3m n LEU 63 CO 0.59 1.42 1.40 -3.20 -1.33 0.00 0.00 177.39 176.27 2b3m n ASN 64 N -0.99 2.81 0.04 -1.43 4.05 -1.26 -4.84 115.26 113.63 2b3m n ASN 64 Ca 0.53 1.03 0.22 0.00 0.45 0.00 0.00 54.58 56.81 2b3m n ASN 64 Cb 1.05 -1.23 0.73 0.00 1.23 0.00 0.00 39.78 41.56 2b3m n ASN 64 CO 0.00 0.00 0.00 -0.65 -3.05 0.00 0.00 177.26 173.56 2b3m h PRO 65 N 8.07 0.00 0.00 1.20 0.11 -1.96 -0.94 132.00 138.48 2b3m h PRO 65 Ca -0.47 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.63 2b3m h PRO 65 Cb 1.30 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.41 2b3m h PRO 65 CO 0.96 0.00 -0.03 -0.24 -0.21 0.00 0.00 178.00 178.48 2b3m h VAL 66 N 0.00 0.26 0.00 3.15 3.04 -1.88 0.22 116.25 121.03 2b3m h VAL 66 Ca 0.24 -0.18 0.00 0.00 -1.01 0.00 0.00 66.70 65.74 2b3m h VAL 66 Cb 1.19 1.14 0.00 0.00 -2.01 0.00 0.00 31.29 31.61 2b3m h VAL 66 CO -0.00 0.03 -0.95 1.41 -1.01 0.00 0.00 177.57 177.04 2b3m n HIS 67 N -3.40 0.23 0.00 3.17 8.25 -0.36 -2.36 115.22 120.75 2b3m n HIS 67 Ca -0.02 0.07 0.00 0.00 -0.26 0.00 0.00 57.72 57.50 2b3m n HIS 67 Cb 0.14 -0.39 0.00 0.00 1.12 0.00 0.00 29.99 30.86 2b3m n HIS 67 CO 0.00 0.00 0.00 1.19 0.64 0.00 0.00 176.34 178.17 2b3m n PHE 68 N -1.89 0.00 -3.51 4.41 3.72 -0.62 -4.69 117.46 114.89 2b3m n PHE 68 Ca 0.02 0.00 -0.42 0.00 -0.05 0.00 0.00 57.45 57.00 2b3m n PHE 68 Cb 0.42 0.00 -0.09 0.00 -0.94 0.00 0.00 39.48 38.86 2b3m n PHE 68 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 176.76 177.05 2b3m s ASP 69 N -3.85 5.91 0.25 4.37 -1.08 -0.03 -4.96 116.67 117.27 2b3m s ASP 69 Ca 0.00 -1.22 -0.06 0.00 -0.52 0.00 0.00 52.55 50.75 2b3m s ASP 69 Cb 0.00 -2.09 0.27 0.00 -1.46 0.00 0.00 42.92 39.64 2b3m s ASP 69 CO 0.00 -0.52 1.91 -0.08 0.52 0.00 0.00 175.17 177.00 2b3m h GLU 70 N 8.57 1.28 -0.08 4.34 4.81 -1.95 -0.27 114.58 131.27 2b3m h GLU 70 Ca -0.26 -0.10 -0.08 0.00 -0.13 0.00 0.00 59.36 58.79 2b3m h GLU 70 Cb 1.10 -0.27 0.00 0.00 0.63 0.00 0.00 28.75 30.21 2b3m h GLU 70 CO 0.77 0.88 -0.24 -0.44 -0.73 0.00 0.00 179.01 179.24 2b3m h ASP 71 N 1.30 0.36 -0.12 1.04 5.19 -1.96 -1.38 116.42 120.85 2b3m h ASP 71 Ca 0.34 -0.60 0.04 0.00 -0.62 0.00 0.00 57.03 56.19 2b3m h ASP 71 Cb -0.09 -0.10 -0.05 0.00 0.18 0.00 0.00 39.33 39.27 2b3m h ASP 71 CO -0.07 0.90 -0.15 0.15 -3.12 0.00 0.00 179.24 176.95 2b3m h PHE 72 N -0.16 -0.39 -0.17 4.55 3.04 -1.89 -2.92 116.94 119.01 2b3m h PHE 72 Ca -0.01 0.02 -0.07 0.00 3.98 0.00 0.00 57.97 61.90 2b3m h PHE 72 Cb 0.86 0.19 -0.01 0.00 2.56 0.00 0.00 35.95 39.55 2b3m h PHE 72 CO 0.12 -0.22 -0.21 0.00 -2.02 0.00 0.00 178.31 175.98 2b3m h ALA 73 N 0.86 1.35 0.00 2.41 0.00 -1.03 -2.56 119.26 120.28 2b3m h ALA 73 Ca 0.09 -0.28 -0.02 0.00 0.00 0.00 0.00 54.91 54.71 2b3m h ALA 73 Cb 0.32 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.01 2b3m h ALA 73 CO -0.24 0.45 -0.08 0.66 0.00 0.00 0.00 179.25 180.04 2b3m h SER 74 N 0.26 0.00 0.78 0.00 4.64 -1.05 -1.99 113.55 116.19 2b3m h SER 74 Ca 0.05 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.37 2b3m h SER 74 Cb 0.52 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.61 2b3m h SER 74 CO 0.03 0.08 -0.25 0.29 -0.87 0.00 0.00 176.83 176.12 2b3m n LYS 75 N -3.41 0.02 -2.17 4.77 5.02 -0.96 -4.31 118.16 117.11 2b3m n LYS 75 Ca -0.01 0.01 -0.27 0.00 -2.02 0.00 0.00 58.31 56.02 2b3m n LYS 75 Cb 0.24 -1.52 0.11 0.00 -0.02 0.00 0.00 35.03 33.84 2b3m n LYS 75 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 2b3m s THR 76 N -3.01 2.16 0.51 -0.18 -4.23 -0.86 -4.93 115.64 105.09 2b3m s THR 76 Ca 0.12 -0.23 0.33 0.00 -1.18 0.00 0.00 61.69 60.73 2b3m s THR 76 Cb 0.18 -2.93 0.36 0.00 1.34 0.00 0.00 72.50 71.45 2b3m s THR 76 CO 0.62 0.00 2.20 0.03 -0.54 0.00 0.00 174.62 176.93 2b3m h ARG 77 N -0.89 0.00 0.00 3.99 3.08 -1.90 -0.96 114.38 117.70 2b3m h ARG 77 Ca -0.43 0.00 -0.04 0.00 0.07 0.00 0.00 59.98 59.58 2b3m h ARG 77 Cb 1.29 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.33 2b3m h ARG 77 CO 0.52 0.04 -0.19 0.74 -1.07 0.00 0.00 179.97 180.01 2b3m h PHE 78 N 0.00 0.00 -1.68 3.04 0.04 -1.93 -3.47 116.94 112.94 2b3m h PHE 78 Ca -0.00 0.00 -0.32 0.00 2.80 0.00 0.00 57.97 60.45 2b3m h PHE 78 Cb 0.16 0.00 -0.06 0.00 2.20 0.00 0.00 35.95 38.25 2b3m h PHE 78 CO 0.00 0.19 -0.37 0.41 -0.60 0.00 0.00 178.31 177.94 2b3m n GLY 79 N -0.02 0.48 0.00 -1.45 0.00 -0.37 -4.88 105.19 98.95 2b3m n GLY 79 Ca -0.00 -0.23 0.00 0.00 0.00 0.00 0.00 46.02 45.79 2b3m n GLY 79 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2b3m n GLY 80 N -1.01 1.90 3.77 -0.02 0.00 -0.81 -4.62 105.19 104.40 2b3m n GLY 80 Ca -0.18 -1.26 -0.35 0.00 0.00 0.00 0.00 46.02 44.23 2b3m n GLY 80 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2b3m s ARG 81 N -1.97 3.09 0.07 1.61 0.52 -1.26 -4.64 118.95 116.37 2b3m s ARG 81 Ca 0.00 1.63 0.06 0.00 -0.52 0.00 0.00 55.73 56.90 2b3m s ARG 81 Cb 0.00 -1.97 -0.03 0.00 0.52 0.00 0.00 34.95 33.48 2b3m s ARG 81 CO 0.00 -1.06 -0.16 0.14 0.02 0.00 0.00 175.30 174.24 2b3m s VAL 82 N -1.84 1.23 0.54 3.52 -7.23 -1.00 -4.46 120.40 111.17 2b3m s VAL 82 Ca 0.73 -1.25 -0.20 0.00 -1.81 0.00 0.00 61.98 59.45 2b3m s VAL 82 Cb -0.25 -1.15 -0.06 0.00 0.56 0.00 0.00 36.38 35.48 2b3m s VAL 82 CO 0.32 -0.11 1.14 -0.69 -0.31 0.00 0.00 175.10 175.44 2b3m s VAL 83 N -1.11 3.14 0.27 1.32 1.01 0.76 -4.06 120.40 121.73 2b3m s VAL 83 Ca 0.01 0.72 -0.30 0.00 0.00 0.00 0.00 61.98 62.40 2b3m s VAL 83 Cb -0.09 -3.30 -0.13 0.00 0.00 0.00 0.00 36.38 32.86 2b3m s VAL 83 CO 0.02 -0.14 1.42 1.41 0.00 0.00 0.00 175.10 177.81 2b3m n HIS 84 N -1.25 2.33 -0.31 5.22 8.25 -1.26 -4.72 115.22 123.47 2b3m n HIS 84 Ca 0.11 0.42 -0.01 0.00 -0.26 0.00 0.00 57.72 57.98 2b3m n HIS 84 Cb 0.51 -2.48 0.12 0.00 1.12 0.00 0.00 29.99 29.25 2b3m n HIS 84 CO 0.00 0.00 0.00 0.78 0.64 0.00 0.00 176.34 177.76 2b3m h GLY 85 N 4.02 1.24 2.00 -1.41 0.00 -1.98 -1.54 103.07 105.39 2b3m h GLY 85 Ca -0.46 -0.40 0.00 0.00 0.00 0.00 0.00 47.33 46.48 2b3m h GLY 85 CO 0.74 0.32 0.00 -0.33 0.00 0.00 0.00 176.54 177.27 2b3m h MET 86 N 1.01 0.00 -0.11 4.80 2.86 -1.98 -1.80 114.93 119.71 2b3m h MET 86 Ca 0.35 0.00 -0.04 0.00 -2.06 0.00 0.00 59.70 57.95 2b3m h MET 86 Cb 0.07 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 31.72 2b3m h MET 86 CO -0.14 0.00 -0.09 1.25 1.06 0.00 0.00 176.91 178.99 2b3m h LEU 87 N 0.00 0.27 -0.59 1.22 5.85 -1.66 -2.35 115.31 118.05 2b3m h LEU 87 Ca 0.00 -0.46 0.12 0.00 0.84 0.00 0.00 57.88 58.38 2b3m h LEU 87 Cb 0.52 -0.07 -0.10 0.00 0.37 0.00 0.00 40.66 41.37 2b3m h LEU 87 CO 0.00 0.67 -0.05 0.74 -0.34 0.00 0.00 178.44 179.47 2b3m h THR 88 N -0.14 0.48 0.00 1.05 2.02 -0.93 -2.04 112.91 113.34 2b3m h THR 88 Ca 0.02 -0.03 0.00 0.00 0.77 0.00 0.00 66.41 67.17 2b3m h THR 88 Cb 0.59 0.40 0.00 0.00 -1.74 0.00 0.00 68.15 67.40 2b3m h THR 88 CO 0.02 0.01 -0.06 0.35 0.37 0.00 0.00 175.52 176.21 2b3m n THR 89 N -5.32 0.25 0.30 3.16 -2.24 -0.73 -2.36 114.28 107.35 2b3m n THR 89 Ca 0.08 -0.12 0.20 0.00 -2.27 0.00 0.00 64.05 61.93 2b3m n THR 89 Cb 0.33 -0.47 0.93 0.00 -2.10 0.00 0.00 70.33 69.02 2b3m n THR 89 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 2b3m h SER 90 N 0.00 0.00 0.44 3.42 0.02 -0.79 -0.90 113.55 115.74 2b3m h SER 90 Ca 0.00 0.00 -0.04 0.00 -0.84 0.00 0.00 61.79 60.91 2b3m h SER 90 Cb 0.60 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.14 2b3m h SER 90 CO 0.00 0.01 -0.19 -0.07 -1.14 0.00 0.00 176.83 175.43 2b3m h LEU 91 N 0.00 0.00 -0.45 5.07 3.38 -1.52 -2.44 115.31 119.35 2b3m h LEU 91 Ca -0.00 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.87 2b3m h LEU 91 Cb 0.28 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.02 2b3m h LEU 91 CO 0.00 0.19 -0.10 0.58 0.09 0.00 0.00 178.44 179.20 2b3m h VAL 92 N 0.00 1.27 -0.47 1.22 2.07 -1.35 -0.97 116.25 118.02 2b3m h VAL 92 Ca -0.00 -1.22 0.08 0.00 0.82 0.00 0.00 66.70 66.38 2b3m h VAL 92 Cb 0.47 1.12 -0.07 0.00 -1.52 0.00 0.00 31.29 31.29 2b3m h VAL 92 CO 0.03 0.42 0.09 -1.28 0.02 0.00 0.00 177.57 176.84 2b3m h SER 93 N 0.71 -0.02 -0.48 0.57 0.87 -1.49 -0.81 113.55 112.90 2b3m h SER 93 Ca 0.12 0.09 -0.04 0.00 -1.23 0.00 0.00 61.79 60.72 2b3m h SER 93 Cb 0.65 0.12 -0.03 0.00 -0.44 0.00 0.00 62.40 62.70 2b3m h SER 93 CO 0.04 0.02 0.18 0.00 -0.53 0.00 0.00 176.83 176.54 2b3m h ALA 94 N 1.37 1.31 -0.00 6.23 0.00 -1.23 0.02 119.26 126.96 2b3m h ALA 94 Ca 0.24 -0.17 -0.00 0.00 0.00 0.00 0.00 54.91 54.98 2b3m h ALA 94 Cb 0.31 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 17.89 2b3m h ALA 94 CO -0.32 0.50 -0.00 0.00 0.00 0.00 0.00 179.25 179.44 2b3m h ALA 95 N 1.42 0.00 0.00 0.00 0.00 -0.65 -3.13 119.26 116.90 2b3m h ALA 95 Ca 0.18 -0.19 -0.09 0.00 0.00 0.00 0.00 54.91 54.81 2b3m h ALA 95 Cb 0.21 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 2b3m h ALA 95 CO -0.01 -0.31 -0.42 -0.39 0.00 0.00 0.00 179.25 178.12 2b3m h VAL 96 N -0.37 1.12 0.00 0.00 -1.51 -1.01 -2.34 116.25 112.15 2b3m h VAL 96 Ca 0.00 -1.54 -0.00 0.00 -1.23 0.00 0.00 66.70 63.92 2b3m h VAL 96 Cb 0.37 1.88 -0.00 0.00 -2.13 0.00 0.00 31.29 31.41 2b3m h VAL 96 CO 0.00 0.41 -0.01 0.00 -1.23 0.00 0.00 177.57 176.74 2b3m h ALA 97 N 1.58 1.33 -0.01 5.19 0.00 -0.94 -1.64 119.26 124.77 2b3m h ALA 97 Ca -0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2b3m h ALA 97 Cb 0.84 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.63 2b3m h ALA 97 CO 0.05 0.01 -0.02 0.54 0.00 0.00 0.00 179.25 179.84 2b3m n ARG 98 N -3.57 1.34 -2.34 0.00 1.74 -0.88 -4.79 116.66 108.15 2b3m n ARG 98 Ca -0.03 -0.57 -0.35 0.00 -0.77 0.00 0.00 57.85 56.13 2b3m n ARG 98 Cb 0.09 -1.49 -0.01 0.00 -1.02 0.00 0.00 32.46 30.03 2b3m n ARG 98 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 2b3m s LEU 99 N -2.06 3.85 0.23 0.55 1.43 -0.62 0.21 118.68 122.28 2b3m s LEU 99 Ca 0.40 2.14 -0.31 0.00 -1.03 0.00 0.00 54.13 55.33 2b3m s LEU 99 Cb 0.21 -4.48 -0.14 0.00 0.03 0.00 0.00 46.19 41.82 2b3m s LEU 99 CO 0.36 -1.01 1.36 -2.65 0.23 0.00 0.00 176.35 174.65 2b3m n PRO 100 N -0.97 1.91 0.00 1.29 -0.02 -1.26 -4.75 135.00 131.20 2b3m n PRO 100 Ca 0.10 0.68 0.00 0.00 -2.02 0.00 0.00 63.50 62.26 2b3m n PRO 100 Cb 0.51 -2.31 0.00 0.00 -0.02 0.00 0.00 33.50 31.68 2b3m n PRO 100 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2b3m n GLY 101 N 2.08 -2.76 3.62 -1.23 0.00 -1.26 -4.91 105.19 100.72 2b3m n GLY 101 Ca 0.12 -2.17 -0.39 0.00 0.00 0.00 0.00 46.02 43.58 2b3m n GLY 101 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2b3m s THR 102 N -0.84 5.15 -0.12 2.61 2.01 0.00 -4.91 115.64 119.54 2b3m s THR 102 Ca 0.00 0.68 -0.02 0.00 0.31 0.00 0.00 61.69 62.66 2b3m s THR 102 Cb 0.00 -3.74 -0.03 0.00 0.01 0.00 0.00 72.50 68.74 2b3m s THR 102 CO 0.00 0.15 -0.05 -0.69 -0.69 0.00 0.00 174.62 173.34 2b3m s VAL 103 N 2.01 3.81 -0.07 3.82 1.01 -1.26 -0.74 120.40 128.98 2b3m s VAL 103 Ca 0.17 -0.41 0.02 0.00 0.00 0.00 0.00 61.98 61.77 2b3m s VAL 103 Cb -0.16 -2.62 0.01 0.00 0.00 0.00 0.00 36.38 33.61 2b3m s VAL 103 CO 0.09 0.54 -0.13 -0.69 0.00 0.00 0.00 175.10 174.91 2b3m s VAL 104 N -0.09 1.19 0.06 2.92 1.01 0.05 -4.95 120.40 120.59 2b3m s VAL 104 Ca 0.02 -0.52 -0.31 0.00 0.00 0.00 0.00 61.98 61.17 2b3m s VAL 104 Cb -0.13 -1.08 -0.06 0.00 0.00 0.00 0.00 36.38 35.11 2b3m s VAL 104 CO 0.03 0.37 1.22 -0.22 0.00 0.00 0.00 175.10 176.49 2b3m s LEU 105 N 0.61 4.37 -0.18 3.92 2.96 -1.26 -0.88 118.68 128.22 2b3m s LEU 105 Ca -0.14 2.04 0.02 0.00 -0.22 0.00 0.00 54.13 55.83 2b3m s LEU 105 Cb -0.16 -3.58 -0.12 0.00 0.50 0.00 0.00 46.19 42.83 2b3m s LEU 105 CO 0.04 -0.49 -0.14 0.18 -1.32 0.00 0.00 176.35 174.62 2b3m n LEU 106 N 3.95 2.76 -3.77 -0.68 4.77 0.24 -4.89 117.00 119.38 2b3m n LEU 106 Ca 0.09 -0.09 -0.13 0.00 -0.03 0.00 0.00 56.01 55.85 2b3m n LEU 106 Cb 0.46 -0.55 -0.09 0.00 -2.33 0.00 0.00 43.42 40.90 2b3m n LEU 106 CO 0.56 0.77 -0.00 -1.61 -1.33 0.00 0.00 177.39 175.77 2b3m s GLU 107 N -2.36 0.61 -0.02 3.23 2.02 -0.94 -4.97 118.70 116.28 2b3m s GLU 107 Ca -0.23 -0.14 -0.11 0.00 0.02 0.00 0.00 54.97 54.51 2b3m s GLU 107 Cb 0.06 0.27 0.02 0.00 0.10 0.00 0.00 34.13 34.58 2b3m s GLU 107 CO 0.43 -0.16 0.24 1.14 0.02 0.00 0.00 175.26 176.93 2b3m s GLN 108 N -1.16 0.53 -0.16 1.61 -2.07 -1.26 -1.21 119.66 115.94 2b3m s GLN 108 Ca -0.12 -0.16 -0.06 0.00 -1.82 0.00 0.00 55.36 53.19 2b3m s GLN 108 Cb -0.05 0.23 0.07 0.00 -1.09 0.00 0.00 33.01 32.17 2b3m s GLN 108 CO 0.04 -0.13 0.34 -1.12 -1.32 0.00 0.00 175.29 173.10 2b3m s SER 109 N -1.07 -0.11 0.01 12.60 0.01 -0.39 -5.01 113.70 119.74 2b3m s SER 109 Ca -0.11 0.79 -0.01 0.00 1.31 0.00 0.00 55.95 57.92 2b3m s SER 109 Cb -0.05 0.90 -0.01 0.00 0.21 0.00 0.00 66.02 67.07 2b3m s SER 109 CO 0.03 -0.22 0.00 -0.36 0.41 0.00 0.00 173.24 173.10 2b3m s PHE 110 N 2.13 0.15 -0.08 2.43 0.40 -1.26 -1.36 117.98 120.39 2b3m s PHE 110 Ca -0.03 -0.32 0.04 0.00 -0.60 0.00 0.00 56.93 56.02 2b3m s PHE 110 Cb -0.11 -0.12 -0.01 0.00 0.51 0.00 0.00 43.02 43.29 2b3m s PHE 110 CO -0.11 -0.14 -0.20 0.50 0.70 0.00 0.00 175.22 175.97 2b3m s ARG 111 N -1.01 2.84 -0.18 0.44 3.52 -0.22 -4.97 118.95 119.37 2b3m s ARG 111 Ca -0.11 -0.81 -0.15 0.00 -0.13 0.00 0.00 55.73 54.52 2b3m s ARG 111 Cb -0.07 -2.34 -0.04 0.00 -1.56 0.00 0.00 34.95 30.94 2b3m s ARG 111 CO -0.00 0.34 0.36 0.71 -0.81 0.00 0.00 175.30 175.90 2b3m s TYR 112 N -0.04 3.41 -0.07 5.12 2.02 -1.26 -1.57 117.35 124.95 2b3m s TYR 112 Ca -0.06 0.61 0.08 0.00 -0.37 0.00 0.00 57.07 57.34 2b3m s TYR 112 Cb -0.15 -2.46 -0.12 0.00 -0.40 0.00 0.00 41.96 38.84 2b3m s TYR 112 CO 0.05 0.08 0.07 0.25 -1.57 0.00 0.00 175.55 174.42 2b3m n THR 113 N 4.07 0.49 -3.66 -0.71 -2.24 -0.46 -4.98 114.28 106.79 2b3m n THR 113 Ca -0.10 -0.35 -0.14 0.00 -2.27 0.00 0.00 64.05 61.19 2b3m n THR 113 Cb 0.51 -0.56 -0.08 0.00 -2.10 0.00 0.00 70.33 68.10 2b3m n THR 113 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 2b3m s SER 114 N -3.90 -0.57 0.61 3.42 0.15 -1.22 -4.99 113.70 107.20 2b3m s SER 114 Ca -0.04 0.98 -0.18 0.00 0.70 0.00 0.00 55.95 57.41 2b3m s SER 114 Cb 0.03 0.99 -0.02 0.00 -1.71 0.00 0.00 66.02 65.31 2b3m s SER 114 CO 0.37 -0.29 1.18 -2.16 1.20 0.00 0.00 173.24 173.54 2b3m s PRO 115 N -0.09 2.91 -0.18 5.44 0.04 -1.26 -4.64 135.00 137.21 2b3m s PRO 115 Ca -0.03 1.71 -0.07 0.00 0.04 0.00 0.00 61.00 62.65 2b3m s PRO 115 Cb -0.03 -1.93 -0.04 0.00 0.04 0.00 0.00 34.50 32.53 2b3m s PRO 115 CO 0.03 -1.23 0.05 0.08 0.04 0.00 0.00 177.00 175.97 2b3m s VAL 116 N -1.80 4.72 0.29 -0.36 1.01 -1.26 -5.01 120.40 117.99 2b3m s VAL 116 Ca 0.74 -0.06 -0.04 0.00 0.00 0.00 0.00 61.98 62.63 2b3m s VAL 116 Cb -0.27 -3.12 -0.05 0.00 0.00 0.00 0.00 36.38 32.94 2b3m s VAL 116 CO 0.35 0.47 0.54 -0.13 0.00 0.00 0.00 175.10 176.33 2b3m s ARG 117 N 0.34 3.60 0.20 2.72 1.81 -1.26 -0.17 118.95 126.19 2b3m s ARG 117 Ca 0.03 -0.07 -0.32 0.00 -1.72 0.00 0.00 55.73 53.65 2b3m s ARG 117 Cb -0.12 -2.66 -0.12 0.00 -0.45 0.00 0.00 34.95 31.60 2b3m s ARG 117 CO 0.00 0.21 1.71 0.42 -0.68 0.00 0.00 175.30 176.97 2b3m s ILE 118 N -2.11 2.10 0.00 1.52 1.01 -1.26 -1.86 121.20 120.59 2b3m s ILE 118 Ca 0.43 0.06 0.00 0.00 0.00 0.00 0.00 60.65 61.14 2b3m s ILE 118 Cb -0.11 -3.04 0.00 0.00 0.01 0.00 0.00 42.46 39.33 2b3m s ILE 118 CO 0.31 0.00 0.00 0.61 0.00 0.00 0.00 174.94 175.87 2b3m n GLY 119 N 3.97 0.40 3.77 6.18 0.00 0.13 -5.00 105.19 114.64 2b3m n GLY 119 Ca 0.16 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.78 2b3m n GLY 119 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2b3m s ASP 120 N -2.24 6.70 -0.15 1.61 1.01 -0.78 -4.64 116.67 118.19 2b3m s ASP 120 Ca 0.00 2.55 -0.25 0.00 0.71 0.00 0.00 52.55 55.56 2b3m s ASP 120 Cb 0.00 -2.64 -0.02 0.00 1.01 0.00 0.00 42.92 41.28 2b3m s ASP 120 CO 0.00 -0.57 0.81 -0.69 0.21 0.00 0.00 175.17 174.93 2b3m s VAL 121 N -1.23 4.91 -0.17 -1.27 1.01 -1.26 -1.60 120.40 120.79 2b3m s VAL 121 Ca 0.52 1.61 -0.07 0.00 0.00 0.00 0.00 61.98 64.04 2b3m s VAL 121 Cb -0.36 -4.13 -0.04 0.00 0.00 0.00 0.00 36.38 31.85 2b3m s VAL 121 CO 0.47 0.07 0.05 -0.69 0.00 0.00 0.00 175.10 175.00 2b3m s VAL 122 N 1.91 4.72 -0.16 2.92 1.01 -0.38 -4.34 120.40 126.08 2b3m s VAL 122 Ca 0.38 -0.06 -0.02 0.00 0.00 0.00 0.00 61.98 62.28 2b3m s VAL 122 Cb -0.17 -3.11 -0.01 0.00 0.00 0.00 0.00 36.38 33.09 2b3m s VAL 122 CO 0.14 0.49 -0.09 -0.60 0.00 0.00 0.00 175.10 175.04 2b3m s ARG 123 N 0.17 3.44 -0.17 2.72 3.52 0.42 -1.48 118.95 127.58 2b3m s ARG 123 Ca 0.04 -0.63 -0.11 0.00 -0.13 0.00 0.00 55.73 54.89 2b3m s ARG 123 Cb -0.12 -2.80 -0.05 0.00 -1.56 0.00 0.00 34.95 30.42 2b3m s ARG 123 CO 0.01 0.10 0.21 0.08 -0.81 0.00 0.00 175.30 174.88 2b3m s VAL 124 N 0.69 5.37 -0.12 7.11 1.01 0.15 -0.02 120.40 134.58 2b3m s VAL 124 Ca -0.04 0.36 0.02 0.00 0.00 0.00 0.00 61.98 62.32 2b3m s VAL 124 Cb -0.15 -3.53 0.01 0.00 0.00 0.00 0.00 36.38 32.71 2b3m s VAL 124 CO 0.02 0.45 -0.18 -1.61 0.00 0.00 0.00 175.10 173.78 2b3m s GLU 125 N 0.16 2.60 0.15 2.72 2.02 0.26 -1.66 118.70 124.95 2b3m s GLU 125 Ca 0.13 -0.70 0.09 0.00 0.02 0.00 0.00 54.97 54.51 2b3m s GLU 125 Cb -0.12 -2.15 -0.04 0.00 0.10 0.00 0.00 34.13 31.92 2b3m s GLU 125 CO 0.02 -0.04 -0.20 0.20 0.02 0.00 0.00 175.26 175.26 2b3m s GLY 126 N 0.91 1.40 -0.09 -1.39 0.00 -0.28 -1.33 107.32 106.53 2b3m s GLY 126 Ca -0.07 -1.45 -0.04 0.00 0.00 0.00 0.00 44.72 43.16 2b3m s GLY 126 CO -0.02 -1.49 0.22 0.54 0.00 0.00 0.00 173.10 172.35 2b3m s VAL 127 N -1.80 -0.06 -0.19 1.40 0.11 -0.56 -1.55 120.40 117.76 2b3m s VAL 127 Ca 0.14 0.16 -0.29 0.00 -2.93 0.00 0.00 61.98 59.06 2b3m s VAL 127 Cb -0.07 -0.34 -0.02 0.00 -1.53 0.00 0.00 36.38 34.42 2b3m s VAL 127 CO 0.06 0.07 1.48 -0.69 -3.33 0.00 0.00 175.10 172.69 2b3m s VAL 128 N 1.28 3.90 -0.32 2.04 1.01 -0.21 -0.98 120.40 127.12 2b3m s VAL 128 Ca -0.09 1.05 0.20 0.00 0.00 0.00 0.00 61.98 63.15 2b3m s VAL 128 Cb -0.11 -3.81 -0.28 0.00 0.00 0.00 0.00 36.38 32.18 2b3m s VAL 128 CO -0.08 -0.24 0.58 -1.54 0.00 0.00 0.00 175.10 173.82 2b3m n SER 129 N 7.56 0.52 -3.73 3.32 3.41 0.12 -0.22 113.62 124.61 2b3m n SER 129 Ca 0.16 -0.32 -0.13 0.00 -0.26 0.00 0.00 58.87 58.33 2b3m n SER 129 Cb 0.45 1.63 -0.10 0.00 -0.26 0.00 0.00 64.21 65.93 2b3m n SER 129 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 2b3m s GLY 130 N -3.87 -0.31 -0.06 5.00 0.00 -0.99 -4.93 107.32 102.16 2b3m s GLY 130 Ca -0.03 1.13 -0.02 0.00 0.00 0.00 0.00 44.72 45.81 2b3m s GLY 130 CO 0.84 0.96 0.05 0.14 0.00 0.00 0.00 173.10 175.09 2b3m s VAL 131 N 0.08 0.01 -0.22 1.40 1.01 -1.26 -0.66 120.40 120.75 2b3m s VAL 131 Ca -0.01 0.28 -0.02 0.00 0.00 0.00 0.00 61.98 62.24 2b3m s VAL 131 Cb -0.03 -0.29 0.07 0.00 0.00 0.00 0.00 36.38 36.12 2b3m s VAL 131 CO 0.01 0.14 0.02 -0.70 0.00 0.00 0.00 175.10 174.57 2b3m s GLU 132 N 2.12 0.92 6.21 2.72 2.56 -0.18 -4.99 118.70 128.06 2b3m s GLU 132 Ca 0.05 -0.66 0.00 0.00 0.00 0.00 0.00 54.97 54.35 2b3m s GLU 132 Cb -0.13 -2.23 0.00 0.00 2.00 0.00 0.00 34.13 33.78 2b3m s GLU 132 CO -0.04 -0.68 0.00 1.63 -0.56 0.00 0.00 175.26 175.61 2b3m n LYS 133 N 4.92 0.00 -0.84 4.30 5.02 -1.26 -0.80 118.16 129.50 2b3m n LYS 133 Ca -0.09 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.20 2b3m n LYS 133 Cb 0.46 0.00 0.30 0.00 -0.02 0.00 0.00 35.03 35.77 2b3m n LYS 133 CO 0.00 0.00 0.00 0.27 -0.52 0.00 0.00 177.40 177.15 2b3m n ASN 134 N 6.54 4.52 -4.55 4.39 6.94 -1.26 -4.92 115.26 126.92 2b3m n ASN 134 Ca 0.00 -3.18 -0.36 0.00 -0.02 0.00 0.00 54.58 51.02 2b3m n ASN 134 Cb 0.00 -0.67 -0.11 0.00 -2.36 0.00 0.00 39.78 36.63 2b3m n ASN 134 CO 0.00 0.00 0.00 -0.13 -1.03 0.00 0.00 177.26 176.10 2b3m s ARG 135 N -2.95 3.84 -0.16 -3.83 0.52 0.02 -1.48 118.95 114.90 2b3m s ARG 135 Ca 0.51 -0.40 -0.02 0.00 -0.52 0.00 0.00 55.73 55.31 2b3m s ARG 135 Cb 0.41 -3.35 -0.01 0.00 0.52 0.00 0.00 34.95 32.52 2b3m s ARG 135 CO 0.11 -0.01 -0.10 0.71 0.02 0.00 0.00 175.30 176.04 2b3m s TYR 136 N 1.17 2.88 -0.19 -0.53 1.51 0.31 -1.01 117.35 121.49 2b3m s TYR 136 Ca 0.05 -0.74 -0.09 0.00 -1.01 0.00 0.00 57.07 55.27 2b3m s TYR 136 Cb -0.14 -1.94 -0.05 0.00 -0.11 0.00 0.00 41.96 39.72 2b3m s TYR 136 CO 0.04 -0.32 0.13 0.99 -1.11 0.00 0.00 175.55 175.28 2b3m s THR 137 N 0.74 5.42 -0.09 -0.71 2.01 0.16 -1.02 115.64 122.15 2b3m s THR 137 Ca -0.04 0.19 0.00 0.00 0.31 0.00 0.00 61.69 62.15 2b3m s THR 137 Cb -0.15 -3.46 0.02 0.00 0.01 0.00 0.00 72.50 68.93 2b3m s THR 137 CO 0.02 0.47 -0.07 -0.63 -0.69 0.00 0.00 174.62 173.72 2b3m s ILE 138 N 0.13 0.89 0.09 1.82 1.01 0.91 -0.70 121.20 125.35 2b3m s ILE 138 Ca 0.09 -0.25 -0.30 0.00 0.00 0.00 0.00 60.65 60.19 2b3m s ILE 138 Cb -0.11 -0.91 -0.05 0.00 0.01 0.00 0.00 42.46 41.40 2b3m s ILE 138 CO -0.01 0.33 1.02 -1.81 0.00 0.00 0.00 174.94 174.47 2b3m s ASP 139 N 1.42 7.38 0.00 3.58 1.01 -0.15 -0.82 116.67 129.10 2b3m s ASP 139 Ca -0.01 1.84 0.02 0.00 0.71 0.00 0.00 52.55 55.11 2b3m s ASP 139 Cb -0.13 -2.59 -0.01 0.00 1.01 0.00 0.00 42.92 41.20 2b3m s ASP 139 CO -0.04 -0.18 -0.08 0.68 0.21 0.00 0.00 175.17 175.75 2b3m s VAL 140 N 0.32 0.63 0.00 -1.27 -7.23 0.11 -1.50 120.40 111.45 2b3m s VAL 140 Ca 0.50 -0.43 0.05 0.00 -1.81 0.00 0.00 61.98 60.28 2b3m s VAL 140 Cb -0.24 -0.54 -0.01 0.00 0.56 0.00 0.00 36.38 36.14 2b3m s VAL 140 CO 0.30 0.11 -0.15 -0.54 -0.31 0.00 0.00 175.10 174.51 2b3m s LYS 141 N -0.36 1.16 -0.06 4.82 1.02 -0.45 -1.12 119.74 124.76 2b3m s LYS 141 Ca 0.02 -0.62 0.03 0.00 0.02 0.00 0.00 55.97 55.42 2b3m s LYS 141 Cb -0.04 -1.15 -0.03 0.00 -0.52 0.00 0.00 37.83 36.10 2b3m s LYS 141 CO -0.00 0.31 -0.13 0.00 -0.92 0.00 0.00 175.35 174.60 2b3m s TYR 143 N -0.63 1.45 -0.21 0.00 2.02 0.97 -0.25 117.35 120.69 2b3m s TYR 143 Ca 0.09 -0.50 0.02 0.00 -0.37 0.00 0.00 57.07 56.31 2b3m s TYR 143 Cb -0.11 -0.77 0.04 0.00 -0.40 0.00 0.00 41.96 40.71 2b3m s TYR 143 CO 0.01 0.15 -0.16 0.95 -1.57 0.00 0.00 175.55 174.93 2b3m s THR 144 N -1.77 2.12 0.00 -0.71 -4.23 -0.29 -0.43 115.64 110.32 2b3m s THR 144 Ca 0.06 -1.22 0.00 0.00 -1.18 0.00 0.00 61.69 59.36 2b3m s THR 144 Cb -0.07 -2.03 0.00 0.00 1.34 0.00 0.00 72.50 71.74 2b3m s THR 144 CO 0.03 0.31 0.00 0.61 -0.54 0.00 0.00 174.62 175.03 2b3m n GLY 145 N 4.55 4.29 0.78 3.99 0.00 -1.26 -1.52 105.19 116.02 2b3m n GLY 145 Ca -0.18 0.12 0.12 0.00 0.00 0.00 0.00 46.02 46.08 2b3m n GLY 145 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2b3m n ASP 146 N 8.71 2.54 -4.67 1.61 8.00 -1.26 -4.94 116.55 126.55 2b3m n ASP 146 Ca 0.00 -1.80 -0.40 0.00 0.71 0.00 0.00 54.79 53.30 2b3m n ASP 146 Cb 0.00 0.10 -0.06 0.00 -0.02 0.00 0.00 41.12 41.14 2b3m n ASP 146 CO 0.00 0.00 0.00 -0.75 -0.39 0.00 0.00 177.20 176.06 2b3m s LYS 147 N -2.11 4.23 0.03 -1.24 2.20 -0.58 -5.04 119.74 117.23 2b3m s LYS 147 Ca 0.27 0.60 -0.30 0.00 -0.36 0.00 0.00 55.97 56.18 2b3m s LYS 147 Cb 0.20 -3.56 -0.06 0.00 -1.51 0.00 0.00 37.83 32.89 2b3m s LYS 147 CO 0.37 -0.19 1.44 0.08 -0.36 0.00 0.00 175.35 176.68 2b3m s VAL 148 N 1.76 3.54 -0.03 4.02 1.01 -1.26 -1.14 120.40 128.31 2b3m s VAL 148 Ca 0.29 0.98 0.10 0.00 0.00 0.00 0.00 61.98 63.34 2b3m s VAL 148 Cb -0.16 -3.63 -0.15 0.00 0.00 0.00 0.00 36.38 32.44 2b3m s VAL 148 CO 0.11 0.01 0.19 1.33 0.00 0.00 0.00 175.10 176.74 2b3m n VAL 149 N 4.56 0.11 -3.61 2.92 0.24 0.65 -4.09 118.33 119.10 2b3m n VAL 149 Ca 0.13 -0.26 -0.16 0.00 -2.04 0.00 0.00 64.34 62.01 2b3m n VAL 149 Cb 0.43 0.10 -0.07 0.00 -1.47 0.00 0.00 33.84 32.82 2b3m n VAL 149 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2b3m s ALA 150 N -2.63 -1.43 -0.00 2.33 0.00 -1.08 -1.35 121.76 117.59 2b3m s ALA 150 Ca -0.04 1.09 -0.05 0.00 0.00 0.00 0.00 51.96 52.96 2b3m s ALA 150 Cb 0.06 -0.14 -0.00 0.00 0.00 0.00 0.00 23.12 23.04 2b3m s ALA 150 CO 0.42 -0.32 0.10 -1.83 0.00 0.00 0.00 175.76 174.12 2b3m s GLU 151 N -0.98 0.37 0.00 0.00 -1.05 -0.61 -0.27 118.70 116.17 2b3m s GLU 151 Ca -0.10 -0.32 0.00 0.00 -0.15 0.00 0.00 54.97 54.40 2b3m s GLU 151 Cb -0.02 0.15 0.00 0.00 -0.44 0.00 0.00 34.13 33.82 2b3m s GLU 151 CO 0.07 -0.08 0.00 0.41 0.95 0.00 0.00 175.26 176.61 2b3m n GLY 152 N 1.82 -0.60 3.11 -3.83 0.00 -0.27 -1.05 105.19 104.36 2b3m n GLY 152 Ca -0.21 -0.64 -0.12 0.00 0.00 0.00 0.00 46.02 45.05 2b3m n GLY 152 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2b3m s VAL 153 N -3.41 0.03 0.17 1.61 -7.23 -0.47 -0.71 120.40 110.39 2b3m s VAL 153 Ca 0.00 -0.24 0.07 0.00 -1.81 0.00 0.00 61.98 60.00 2b3m s VAL 153 Cb 0.00 -0.36 -0.04 0.00 0.56 0.00 0.00 36.38 36.53 2b3m s VAL 153 CO 0.00 -0.13 -0.15 0.68 -0.31 0.00 0.00 175.10 175.19 2b3m s VAL 154 N -0.44 1.60 -0.06 1.32 -7.23 0.00 -1.26 120.40 114.33 2b3m s VAL 154 Ca -0.05 -1.99 0.04 0.00 -1.81 0.00 0.00 61.98 58.17 2b3m s VAL 154 Cb -0.04 -1.84 -0.00 0.00 0.56 0.00 0.00 36.38 35.07 2b3m s VAL 154 CO 0.01 -0.49 -0.19 -0.75 -0.31 0.00 0.00 175.10 173.37 2b3m s LYS 155 N -3.17 2.23 0.13 4.82 2.20 -0.35 -0.06 119.74 125.54 2b3m s LYS 155 Ca 0.16 -0.70 0.06 0.00 -0.36 0.00 0.00 55.97 55.14 2b3m s LYS 155 Cb -0.03 -1.83 -0.04 0.00 -1.51 0.00 0.00 37.83 34.42 2b3m s LYS 155 CO 0.05 0.21 -0.15 0.14 -0.36 0.00 0.00 175.35 175.24 2b3m s VAL 156 N 0.19 1.45 -0.14 4.02 -7.23 -0.19 -0.59 120.40 117.91 2b3m s VAL 156 Ca -0.10 -1.78 -0.09 0.00 -1.81 0.00 0.00 61.98 58.20 2b3m s VAL 156 Cb -0.14 -1.62 -0.05 0.00 0.56 0.00 0.00 36.38 35.13 2b3m s VAL 156 CO 0.04 -0.40 0.18 -0.76 -0.31 0.00 0.00 175.10 173.86 2b3m s LEU 157 N -2.53 4.33 -0.10 1.32 1.43 -0.06 -0.53 118.68 122.55 2b3m s LEU 157 Ca 0.11 0.46 0.00 0.00 -1.03 0.00 0.00 54.13 53.67 2b3m s LEU 157 Cb -0.05 -2.16 0.02 0.00 0.03 0.00 0.00 46.19 44.03 2b3m s LEU 157 CO 0.04 0.30 -0.09 -0.63 0.23 0.00 0.00 176.35 176.20 2b3m s ILE 158 N -0.46 1.04 -2.85 -0.59 1.01 -0.55 -0.77 121.20 118.04 2b3m s ILE 158 Ca 0.14 -0.32 0.23 0.00 0.00 0.00 0.00 60.65 60.69 2b3m s ILE 158 Cb -0.12 -1.04 0.18 0.00 0.01 0.00 0.00 42.46 41.49 2b3m s ILE 158 CO 0.03 0.36 1.22 0.79 0.00 0.00 0.00 174.94 177.35