#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2aed n SER 9 N 0.00 0.28 -4.10 9.48 7.64 0.24 -4.99 113.62 122.18 2aed n SER 9 Ca 0.00 -0.61 -0.07 0.00 1.01 0.00 0.00 58.87 59.19 2aed n SER 9 Cb 0.00 1.00 -0.10 0.00 -1.01 0.00 0.00 64.21 64.10 2aed n SER 9 CO 0.00 0.00 0.00 -0.31 -3.01 0.00 0.00 175.04 171.72 2aed s TYR 10 N -1.49 0.56 -0.14 1.43 2.02 -1.21 -5.06 117.35 113.46 2aed s TYR 10 Ca 0.02 -1.06 -0.00 0.00 -0.37 0.00 0.00 57.07 55.66 2aed s TYR 10 Cb 0.04 -0.40 0.03 0.00 -0.40 0.00 0.00 41.96 41.23 2aed s TYR 10 CO 0.21 -0.36 -0.07 0.42 -1.57 0.00 0.00 175.55 174.17 2aed s ILE 11 N -3.89 1.14 -0.22 2.71 1.01 -1.26 -0.87 121.20 119.83 2aed s ILE 11 Ca 0.08 -0.49 -0.07 0.00 0.00 0.00 0.00 60.65 60.17 2aed s ILE 11 Cb 0.08 -1.21 -0.03 0.00 0.01 0.00 0.00 42.46 41.30 2aed s ILE 11 CO -0.09 0.28 0.06 -0.36 0.00 0.00 0.00 174.94 174.82 2aed s PHE 12 N 1.64 3.14 -0.11 3.97 0.08 0.29 -4.95 117.98 122.04 2aed s PHE 12 Ca 0.03 -0.21 -0.21 0.00 0.12 0.00 0.00 56.93 56.67 2aed s PHE 12 Cb -0.14 -2.15 -0.04 0.00 -0.57 0.00 0.00 43.02 40.12 2aed s PHE 12 CO -0.08 -0.13 0.59 0.15 -0.10 0.00 0.00 175.22 175.65 2aed s LYS 13 N 1.03 4.36 -0.06 0.44 1.02 -1.26 -1.03 119.74 124.24 2aed s LYS 13 Ca 0.04 0.65 0.04 0.00 0.02 0.00 0.00 55.97 56.71 2aed s LYS 13 Cb -0.14 -3.47 -0.02 0.00 -0.52 0.00 0.00 37.83 33.68 2aed s LYS 13 CO 0.03 0.05 -0.16 0.71 -0.92 0.00 0.00 175.35 175.06 2aed s TYR 14 N 0.93 2.66 0.15 3.18 1.51 0.21 -0.70 117.35 125.29 2aed s TYR 14 Ca 0.31 -0.28 0.01 0.00 -1.01 0.00 0.00 57.07 56.09 2aed s TYR 14 Cb -0.16 -1.64 -0.04 0.00 -0.11 0.00 0.00 41.96 40.01 2aed s TYR 14 CO 0.13 0.09 0.31 0.96 -1.11 0.00 0.00 175.55 175.93 2aed s ILE 15 N -0.54 5.29 -0.09 2.71 -4.36 -0.83 -1.47 121.20 121.92 2aed s ILE 15 Ca 0.07 -0.49 0.03 0.00 -0.26 0.00 0.00 60.65 60.00 2aed s ILE 15 Cb -0.11 -3.71 0.01 0.00 1.25 0.00 0.00 42.46 39.89 2aed s ILE 15 CO 0.01 -0.07 -0.17 -0.63 0.24 0.00 0.00 174.94 174.32 2aed s ILE 16 N -1.74 1.54 0.05 8.37 1.01 -0.30 -1.38 121.20 128.76 2aed s ILE 16 Ca 0.36 -0.70 -0.02 0.00 0.00 0.00 0.00 60.65 60.29 2aed s ILE 16 Cb -0.11 -1.37 -0.03 0.00 0.01 0.00 0.00 42.46 40.95 2aed s ILE 16 CO 0.28 0.45 0.00 0.27 0.00 0.00 0.00 174.94 175.94 2aed s ILE 17 N 0.63 0.19 0.00 2.92 -4.36 -0.43 -3.48 121.20 116.67 2aed s ILE 17 Ca -0.14 -1.56 0.00 0.00 -0.26 0.00 0.00 60.65 58.69 2aed s ILE 17 Cb -0.16 -1.28 0.00 0.00 1.25 0.00 0.00 42.46 42.27 2aed s ILE 17 CO 0.04 -0.86 0.00 0.61 0.24 0.00 0.00 174.94 174.97 2aed n GLY 18 N 0.35 2.59 3.68 6.27 0.00 -1.26 -0.72 105.19 116.10 2aed n GLY 18 Ca -0.16 -1.29 -0.31 0.00 0.00 0.00 0.00 46.02 44.26 2aed n GLY 18 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2aed s ASP 19 N 0.00 3.01 0.26 1.61 1.01 -1.26 -4.93 116.67 116.38 2aed s ASP 19 Ca 0.00 2.11 -0.31 0.00 0.71 0.00 0.00 52.55 55.06 2aed s ASP 19 Cb 0.00 -2.55 -0.11 0.00 1.01 0.00 0.00 42.92 41.27 2aed s ASP 19 CO 0.00 -3.03 1.61 -0.04 0.21 0.00 0.00 175.17 173.92 2aed s MET 20 N -4.67 4.14 0.00 8.23 -1.94 -1.26 -3.15 119.30 120.65 2aed s MET 20 Ca 0.66 2.55 0.00 0.00 -1.71 0.00 0.00 55.69 57.19 2aed s MET 20 Cb -0.22 -3.05 0.00 0.00 2.01 0.00 0.00 34.83 33.57 2aed s MET 20 CO 0.58 -0.64 0.00 0.41 -0.01 0.00 0.00 175.02 175.36 2aed n GLY 21 N 2.68 0.51 0.19 -0.03 0.00 -1.26 -4.93 105.19 102.34 2aed n GLY 21 Ca 0.10 -0.34 0.08 0.00 0.00 0.00 0.00 46.02 45.86 2aed n GLY 21 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 2aed h VAL 22 N 0.00 0.36 0.00 1.61 -1.51 -1.92 -3.48 116.25 111.31 2aed h VAL 22 Ca 0.00 -1.48 0.00 0.00 -1.23 0.00 0.00 66.70 63.99 2aed h VAL 22 Cb 0.00 2.15 0.00 0.00 -2.13 0.00 0.00 31.29 31.31 2aed h VAL 22 CO 0.00 0.20 0.00 0.61 -1.23 0.00 0.00 177.57 177.15 2aed n GLY 23 N 1.10 1.99 0.21 5.19 0.00 -1.26 -4.56 105.19 107.85 2aed n GLY 23 Ca 0.03 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.92 2aed n GLY 23 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2aed h LYS 24 N 0.00 -0.42 -0.45 1.61 1.57 -1.92 0.18 116.57 117.14 2aed h LYS 24 Ca 0.00 0.03 0.06 0.00 -1.87 0.00 0.00 60.65 58.87 2aed h LYS 24 Cb 0.00 0.10 -0.05 0.00 0.08 0.00 0.00 32.23 32.35 2aed h LYS 24 CO 0.00 -0.11 0.14 0.77 -0.57 0.00 0.00 179.45 179.68 2aed h SER 25 N -0.75 0.13 -0.41 0.86 0.02 -1.94 -1.53 113.55 109.93 2aed h SER 25 Ca -0.04 0.06 0.01 0.00 -0.84 0.00 0.00 61.79 60.98 2aed h SER 25 Cb 0.50 0.05 -0.03 0.00 0.14 0.00 0.00 62.40 63.07 2aed h SER 25 CO 0.07 0.11 0.25 0.00 -1.14 0.00 0.00 176.83 176.12 2aed h LEU 27 N 0.51 0.57 -0.19 0.00 3.38 -0.38 0.32 115.31 119.52 2aed h LEU 27 Ca 0.16 0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.15 2aed h LEU 27 Cb -0.01 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 40.64 2aed h LEU 27 CO -0.06 0.37 0.12 0.25 0.09 0.00 0.00 178.44 179.22 2aed h LEU 28 N 0.70 0.22 -0.37 1.67 6.46 -0.78 -1.54 115.31 121.67 2aed h LEU 28 Ca 0.29 -0.01 -0.16 0.00 -0.12 0.00 0.00 57.88 57.89 2aed h LEU 28 Cb 0.15 -0.05 -0.01 0.00 -0.73 0.00 0.00 40.66 40.02 2aed h LEU 28 CO -0.16 0.16 -0.38 -0.74 -0.62 0.00 0.00 178.44 176.69 2aed h HIS 29 N 0.25 1.09 0.01 1.25 2.76 -0.89 -0.34 115.15 119.28 2aed h HIS 29 Ca 0.07 -0.33 -0.00 0.00 -2.20 0.00 0.00 60.37 57.91 2aed h HIS 29 Cb -0.03 -0.23 0.00 0.00 1.55 0.00 0.00 27.41 28.70 2aed h HIS 29 CO -0.06 1.15 -0.01 0.37 -1.30 0.00 0.00 177.93 178.08 2aed h GLN 30 N 0.72 -0.02 0.16 5.26 5.75 -0.91 0.20 115.11 126.27 2aed h GLN 30 Ca 0.06 0.00 -0.01 0.00 -0.15 0.00 0.00 58.65 58.55 2aed h GLN 30 Cb 0.97 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.53 2aed h GLN 30 CO 0.09 0.00 -0.08 0.35 -2.65 0.00 0.00 178.83 176.55 2aed h PHE 31 N -0.04 -0.21 0.00 3.99 3.57 -1.24 0.65 116.94 123.66 2aed h PHE 31 Ca -0.00 -0.00 -0.07 0.00 3.53 0.00 0.00 57.97 61.42 2aed h PHE 31 Cb 0.03 0.07 -0.01 0.00 2.79 0.00 0.00 35.95 38.83 2aed h PHE 31 CO -0.07 -0.13 -0.37 1.79 -2.23 0.00 0.00 178.31 177.30 2aed h THR 32 N -0.22 0.58 0.00 4.41 1.35 -0.93 -3.35 112.91 114.75 2aed h THR 32 Ca -0.02 -1.82 -0.03 0.00 -0.55 0.00 0.00 66.41 63.98 2aed h THR 32 Cb 0.17 2.28 -0.01 0.00 -1.73 0.00 0.00 68.15 68.87 2aed h THR 32 CO 0.03 0.33 -1.30 -0.62 -0.25 0.00 0.00 175.52 173.72 2aed n GLU 33 N -3.17 1.09 -0.19 4.72 -0.58 0.68 -4.99 120.64 118.19 2aed n GLU 33 Ca 0.02 -0.04 0.02 0.00 -0.42 0.00 0.00 57.16 56.74 2aed n GLU 33 Cb 0.67 -1.14 0.09 0.00 -0.57 0.00 0.00 31.44 30.50 2aed n GLU 33 CO 0.00 0.00 0.00 0.36 -0.48 0.00 0.00 177.13 177.01 2aed n LYS 34 N -1.85 1.85 0.00 3.49 2.85 0.23 -5.02 118.16 119.70 2aed n LYS 34 Ca -0.03 -0.72 0.00 0.00 -1.05 0.00 0.00 58.31 56.50 2aed n LYS 34 Cb 0.31 -1.61 0.00 0.00 -0.65 0.00 0.00 35.03 33.08 2aed n LYS 34 CO 0.00 0.00 0.00 2.41 -0.05 0.00 0.00 177.40 179.76 2aed n THR 43 N 0.13 0.00 0.06 0.58 -1.04 -1.26 -4.76 114.28 107.99 2aed n THR 43 Ca 0.06 0.00 -0.05 0.00 -2.04 0.00 0.00 64.05 62.02 2aed n THR 43 Cb 0.43 0.00 0.13 0.00 -1.82 0.00 0.00 70.33 69.07 2aed n THR 43 CO 0.00 0.00 0.00 0.40 -0.64 0.00 0.00 175.07 174.83 2aed h ILE 44 N 0.00 1.35 0.00 12.58 2.04 -2.10 -3.49 117.51 127.89 2aed h ILE 44 Ca 0.00 -1.81 0.00 0.00 1.00 0.00 0.00 64.86 64.05 2aed h ILE 44 Cb 0.00 1.85 0.00 0.00 -0.74 0.00 0.00 36.82 37.93 2aed h ILE 44 CO 0.00 0.54 0.00 0.61 0.00 0.00 0.00 178.15 179.30 2aed n GLY 45 N 0.14 2.42 3.59 5.37 0.00 -1.26 -5.01 105.19 110.44 2aed n GLY 45 Ca -0.02 -1.61 -0.46 0.00 0.00 0.00 0.00 46.02 43.92 2aed n GLY 45 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2aed n VAL 46 N 1.53 1.42 -0.06 1.61 0.31 -1.26 -4.90 118.33 116.98 2aed n VAL 46 Ca 0.00 -0.36 -0.08 0.00 -0.01 0.00 0.00 64.34 63.90 2aed n VAL 46 Cb 0.00 -0.98 -0.08 0.00 -0.91 0.00 0.00 33.84 31.87 2aed n VAL 46 CO 0.00 0.00 0.00 1.21 -1.32 0.00 0.00 176.83 176.72 2aed n GLU 47 N 1.29 1.42 -3.93 5.55 2.13 -1.26 -4.39 120.64 121.45 2aed n GLU 47 Ca 0.12 0.03 -0.10 0.00 0.66 0.00 0.00 57.16 57.87 2aed n GLU 47 Cb 0.29 -1.30 -0.10 0.00 0.27 0.00 0.00 31.44 30.60 2aed n GLU 47 CO 0.00 0.00 0.00 0.12 -0.41 0.00 0.00 177.13 176.84 2aed s PHE 48 N -2.29 0.15 0.17 4.31 5.36 -1.26 0.25 117.98 124.68 2aed s PHE 48 Ca -0.11 -0.34 -0.24 0.00 -0.96 0.00 0.00 56.93 55.28 2aed s PHE 48 Cb 0.04 -0.12 0.06 0.00 -0.34 0.00 0.00 43.02 42.66 2aed s PHE 48 CO 0.42 -0.24 0.73 0.20 -1.46 0.00 0.00 175.22 174.87 2aed s GLY 49 N -1.45 -0.38 0.07 13.12 0.00 -0.26 -5.01 107.32 113.43 2aed s GLY 49 Ca -0.15 0.27 0.02 0.00 0.00 0.00 0.00 44.72 44.86 2aed s GLY 49 CO 0.00 0.09 -0.07 -0.51 0.00 0.00 0.00 173.10 172.61 2aed s THR 50 N -3.64 0.61 -0.22 0.90 -4.23 -1.26 -0.01 115.64 107.80 2aed s THR 50 Ca 0.06 -1.59 -0.17 0.00 -1.18 0.00 0.00 61.69 58.81 2aed s THR 50 Cb -0.03 -1.25 0.06 0.00 1.34 0.00 0.00 72.50 72.63 2aed s THR 50 CO -0.04 -0.68 0.57 -0.60 -0.54 0.00 0.00 174.62 173.33 2aed s ARG 51 N -2.94 0.63 -0.35 3.99 3.52 -0.59 -4.88 118.95 118.32 2aed s ARG 51 Ca 0.03 0.89 -0.24 0.00 -0.13 0.00 0.00 55.73 56.27 2aed s ARG 51 Cb -0.01 0.22 0.01 0.00 -1.56 0.00 0.00 34.95 33.62 2aed s ARG 51 CO -0.03 -0.11 0.85 0.42 -0.81 0.00 0.00 175.30 175.62 2aed s ILE 52 N 0.79 4.69 0.32 4.11 -1.09 -1.26 -0.47 121.20 128.28 2aed s ILE 52 Ca -0.04 1.11 0.08 0.00 -2.23 0.00 0.00 60.65 59.57 2aed s ILE 52 Cb -0.05 -4.25 -0.03 0.00 -1.58 0.00 0.00 42.46 36.55 2aed s ILE 52 CO -0.06 -0.42 0.22 0.27 -1.23 0.00 0.00 174.94 173.72 2aed s ILE 53 N 3.22 3.54 -0.21 2.92 -4.36 0.06 -4.94 121.20 121.43 2aed s ILE 53 Ca 0.35 -1.49 -0.05 0.00 -0.26 0.00 0.00 60.65 59.20 2aed s ILE 53 Cb -0.13 -3.15 -0.02 0.00 1.25 0.00 0.00 42.46 40.41 2aed s ILE 53 CO 0.16 -0.21 0.00 -0.70 0.24 0.00 0.00 174.94 174.43 2aed s GLU 54 N -3.92 3.58 -0.15 0.37 2.12 -1.26 -1.20 118.70 118.24 2aed s GLU 54 Ca 0.38 -0.53 -0.04 0.00 0.36 0.00 0.00 54.97 55.14 2aed s GLU 54 Cb -0.05 -3.10 0.07 0.00 0.26 0.00 0.00 34.13 31.30 2aed s GLU 54 CO 0.25 -0.05 0.16 0.14 -0.54 0.00 0.00 175.26 175.22 2aed s VAL 55 N 1.16 -0.24 -1.29 3.70 -7.23 0.01 -4.88 120.40 111.64 2aed s VAL 55 Ca 0.03 0.06 -0.04 0.00 -1.81 0.00 0.00 61.98 60.22 2aed s VAL 55 Cb -0.14 -0.49 0.01 0.00 0.56 0.00 0.00 36.38 36.31 2aed s VAL 55 CO 0.01 -0.08 1.01 -1.20 -0.31 0.00 0.00 175.10 174.53 2aed n SER 56 N 5.31 -3.42 -1.07 4.85 7.64 -1.26 -1.78 113.62 123.89 2aed n SER 56 Ca -0.05 -0.63 -0.14 0.00 1.01 0.00 0.00 58.87 59.05 2aed n SER 56 Cb 0.50 -4.87 -0.06 0.00 -1.01 0.00 0.00 64.21 58.77 2aed n SER 56 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2aed n GLY 57 N -1.50 1.40 3.14 0.23 0.00 -1.26 -5.00 105.19 102.19 2aed n GLY 57 Ca -0.18 -0.38 -0.25 0.00 0.00 0.00 0.00 46.02 45.21 2aed n GLY 57 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2aed s GLN 58 N -3.21 1.59 -0.19 1.61 -1.52 -0.73 -5.11 119.66 112.10 2aed s GLN 58 Ca 0.00 -0.59 -0.21 0.00 -1.95 0.00 0.00 55.36 52.61 2aed s GLN 58 Cb 0.00 -1.44 -0.03 0.00 -0.22 0.00 0.00 33.01 31.33 2aed s GLN 58 CO 0.00 0.28 0.64 0.15 -0.25 0.00 0.00 175.29 176.12 2aed s LYS 59 N -0.11 4.23 -0.08 2.91 1.02 -1.26 -0.81 119.74 125.65 2aed s LYS 59 Ca 0.00 0.66 0.03 0.00 0.02 0.00 0.00 55.97 56.68 2aed s LYS 59 Cb -0.10 -3.57 0.01 0.00 -0.52 0.00 0.00 37.83 33.66 2aed s LYS 59 CO 0.01 -0.22 -0.16 0.42 -0.92 0.00 0.00 175.35 174.48 2aed s ILE 60 N 1.83 1.43 -0.24 2.17 1.01 -0.34 -0.59 121.20 126.47 2aed s ILE 60 Ca 0.30 -0.66 -0.21 0.00 0.00 0.00 0.00 60.65 60.08 2aed s ILE 60 Cb -0.16 -1.28 -0.02 0.00 0.01 0.00 0.00 42.46 41.02 2aed s ILE 60 CO 0.11 0.42 0.67 -0.75 0.00 0.00 0.00 174.94 175.39 2aed s LYS 61 N 0.54 4.15 -0.20 2.79 2.20 -0.04 -0.76 119.74 128.42 2aed s LYS 61 Ca -0.16 0.64 -0.15 0.00 -0.36 0.00 0.00 55.97 55.94 2aed s LYS 61 Cb -0.16 -3.63 -0.04 0.00 -1.51 0.00 0.00 37.83 32.49 2aed s LYS 61 CO 0.05 -0.38 0.37 -0.51 -0.36 0.00 0.00 175.35 174.52 2aed s LEU 62 N 2.40 4.17 -0.17 5.43 1.02 0.38 -0.55 118.68 131.36 2aed s LEU 62 Ca 0.29 0.49 -0.08 0.00 0.02 0.00 0.00 54.13 54.84 2aed s LEU 62 Cb -0.16 -2.47 -0.05 0.00 0.02 0.00 0.00 46.19 43.54 2aed s LEU 62 CO 0.09 -0.04 0.12 -1.10 0.02 0.00 0.00 176.35 175.44 2aed s GLN 63 N 1.16 3.87 -0.08 1.70 -0.21 -0.19 -1.55 119.66 124.36 2aed s GLN 63 Ca 0.18 -0.20 -0.00 0.00 0.02 0.00 0.00 55.36 55.35 2aed s GLN 63 Cb -0.14 -3.30 0.02 0.00 1.00 0.00 0.00 33.01 30.59 2aed s GLN 63 CO 0.07 0.48 -0.04 0.42 -2.12 0.00 0.00 175.29 174.10 2aed s ILE 64 N -0.17 0.67 -0.12 1.08 1.01 0.99 0.66 121.20 125.32 2aed s ILE 64 Ca 0.10 -0.09 -0.01 0.00 0.00 0.00 0.00 60.65 60.65 2aed s ILE 64 Cb -0.11 -0.74 0.03 0.00 0.01 0.00 0.00 42.46 41.65 2aed s ILE 64 CO 0.00 0.30 -0.04 0.86 0.00 0.00 0.00 174.94 176.06 2aed s TRP 65 N 1.61 1.29 -0.77 3.97 -0.11 -0.54 -1.10 118.94 123.29 2aed s TRP 65 Ca 0.01 -0.67 -0.25 0.00 1.22 0.00 0.00 56.10 56.41 2aed s TRP 65 Cb -0.13 -1.13 0.05 0.00 -1.50 0.00 0.00 33.47 30.76 2aed s TRP 65 CO -0.05 -0.49 1.23 0.34 -4.62 0.00 0.00 176.95 173.35 2aed s ASP 66 N 1.77 6.24 0.84 5.86 -1.08 0.14 -1.15 116.67 129.29 2aed s ASP 66 Ca 0.04 -0.80 -0.07 0.00 -0.52 0.00 0.00 52.55 51.19 2aed s ASP 66 Cb -0.13 -2.52 0.14 0.00 -1.46 0.00 0.00 42.92 38.95 2aed s ASP 66 CO -0.07 -1.66 0.88 0.35 0.52 0.00 0.00 175.17 175.19 2aed n THR 67 N 6.31 0.00 0.00 1.71 -2.24 -1.23 -4.84 114.28 113.99 2aed n THR 67 Ca 0.07 -0.93 0.00 0.00 -2.27 0.00 0.00 64.05 60.92 2aed n THR 67 Cb 0.48 -1.36 0.00 0.00 -2.10 0.00 0.00 70.33 67.35 2aed n THR 67 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2aed n ALA 75 N -3.33 0.00 0.01 6.98 0.00 -1.26 -5.16 120.51 117.76 2aed n ALA 75 Ca -0.14 0.00 -0.03 0.00 0.00 0.00 0.00 53.44 53.26 2aed n ALA 75 Cb 0.43 0.00 0.21 0.00 0.00 0.00 0.00 19.45 20.09 2aed n ALA 75 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2aed h VAL 76 N 0.00 1.26 -0.73 0.00 2.07 -2.05 -1.76 116.25 115.03 2aed h VAL 76 Ca 0.00 -1.22 -0.05 0.00 0.82 0.00 0.00 66.70 66.25 2aed h VAL 76 Cb 0.00 1.30 -0.03 0.00 -1.52 0.00 0.00 31.29 31.04 2aed h VAL 76 CO 0.00 0.39 0.27 0.74 0.02 0.00 0.00 177.57 178.99 2aed h THR 77 N 0.44 1.25 -0.60 2.57 2.02 -2.05 -0.96 112.91 115.58 2aed h THR 77 Ca 0.07 -0.83 -0.06 0.00 0.77 0.00 0.00 66.41 66.36 2aed h THR 77 Cb 0.64 0.41 -0.02 0.00 -1.74 0.00 0.00 68.15 67.43 2aed h THR 77 CO 0.05 0.33 0.13 0.08 0.37 0.00 0.00 175.52 176.48 2aed h ARG 78 N 1.07 0.97 0.00 6.66 0.11 -1.89 -1.97 114.38 119.32 2aed h ARG 78 Ca 0.24 -0.24 -0.10 0.00 0.10 0.00 0.00 59.98 59.98 2aed h ARG 78 Cb 0.24 -0.12 -0.01 0.00 1.11 0.00 0.00 29.97 31.18 2aed h ARG 78 CO -0.02 0.90 -0.50 1.03 0.10 0.00 0.00 179.97 181.48 2aed h SER 79 N 0.88 0.00 -0.04 0.08 0.87 -1.03 -0.79 113.55 113.52 2aed h SER 79 Ca 0.19 0.00 -0.18 0.00 -1.23 0.00 0.00 61.79 60.57 2aed h SER 79 Cb 0.37 0.00 0.01 0.00 -0.44 0.00 0.00 62.40 62.34 2aed h SER 79 CO 0.00 0.50 -0.67 0.22 -0.53 0.00 0.00 176.83 176.35 2aed h TYR 80 N 0.00 0.76 -0.16 2.24 3.20 -1.09 -2.59 116.97 119.33 2aed h TYR 80 Ca -0.00 -0.38 0.05 0.00 3.14 0.00 0.00 58.73 61.53 2aed h TYR 80 Cb 1.02 -0.10 -0.05 0.00 1.54 0.00 0.00 36.73 39.14 2aed h TYR 80 CO 0.00 1.19 -0.16 1.88 -1.64 0.00 0.00 178.16 179.44 2aed h TYR 81 N 0.10 -0.40 0.00 -3.82 -1.99 -1.11 -1.39 116.97 108.35 2aed h TYR 81 Ca -0.07 0.02 -0.01 0.00 2.00 0.00 0.00 58.73 60.67 2aed h TYR 81 Cb 1.35 0.20 -0.00 0.00 2.00 0.00 0.00 36.73 40.28 2aed h TYR 81 CO 0.12 -0.23 -0.07 0.00 -0.00 0.00 0.00 178.16 177.99 2aed h ARG 82 N -0.18 0.00 -0.45 4.88 2.47 -1.17 -1.34 114.38 118.59 2aed h ARG 82 Ca 0.10 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.82 2aed h ARG 82 Cb 0.34 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.66 2aed h ARG 82 CO -0.27 0.07 0.00 0.41 0.56 0.00 0.00 179.97 180.74 2aed n GLY 83 N -0.65 1.76 3.69 0.04 0.00 -0.94 -4.19 105.19 104.89 2aed n GLY 83 Ca -0.02 -0.73 -0.42 0.00 0.00 0.00 0.00 46.02 44.86 2aed n GLY 83 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2aed s ALA 84 N -1.42 3.66 -0.12 4.61 0.00 -0.51 -4.50 121.76 123.48 2aed s ALA 84 Ca 0.40 1.13 0.15 0.00 0.00 0.00 0.00 51.96 53.64 2aed s ALA 84 Cb 0.23 -3.69 -0.02 0.00 0.00 0.00 0.00 23.12 19.64 2aed s ALA 84 CO 0.31 -1.12 1.26 0.00 0.00 0.00 0.00 175.76 176.22 2aed h ALA 85 N 8.44 0.64 -2.56 0.00 0.00 -1.25 -3.39 119.26 121.13 2aed h ALA 85 Ca -0.42 -0.60 -0.10 0.00 0.00 0.00 0.00 54.91 53.79 2aed h ALA 85 Cb 1.20 0.01 -0.17 0.00 0.00 0.00 0.00 17.79 18.83 2aed h ALA 85 CO 0.93 0.76 -0.36 0.20 0.00 0.00 0.00 179.25 180.79 2aed s GLY 86 N -4.57 0.01 -0.08 0.00 0.00 -1.05 -0.53 107.32 101.09 2aed s GLY 86 Ca 0.02 -0.26 -0.02 0.00 0.00 0.00 0.00 44.72 44.46 2aed s GLY 86 CO 0.77 -0.45 0.02 0.00 0.00 0.00 0.00 173.10 173.44 2aed s ALA 87 N -2.75 0.61 -0.39 3.20 0.00 0.94 -1.96 121.76 121.41 2aed s ALA 87 Ca -0.04 -0.12 -0.25 0.00 0.00 0.00 0.00 51.96 51.56 2aed s ALA 87 Cb -0.00 -0.77 0.02 0.00 0.00 0.00 0.00 23.12 22.36 2aed s ALA 87 CO -0.05 -0.56 0.90 -0.51 0.00 0.00 0.00 175.76 175.53 2aed s LEU 88 N 2.01 4.03 -0.33 0.00 1.02 -0.48 -1.13 118.68 123.81 2aed s LEU 88 Ca 0.04 0.42 -0.12 0.00 0.02 0.00 0.00 54.13 54.49 2aed s LEU 88 Cb -0.13 -3.20 -0.02 0.00 0.02 0.00 0.00 46.19 42.87 2aed s LEU 88 CO -0.05 -0.88 0.23 -0.32 0.02 0.00 0.00 176.35 175.35 2aed s MET 89 N 3.46 3.54 -0.08 1.70 1.75 0.14 -1.31 119.30 128.50 2aed s MET 89 Ca 0.36 -0.61 0.02 0.00 -1.25 0.00 0.00 55.69 54.22 2aed s MET 89 Cb -0.12 -3.77 -0.02 0.00 2.84 0.00 0.00 34.83 33.77 2aed s MET 89 CO 0.20 -0.41 -0.14 0.08 -0.65 0.00 0.00 175.02 174.10 2aed s VAL 90 N 1.72 3.01 0.31 10.11 1.01 0.10 -0.03 120.40 136.62 2aed s VAL 90 Ca 0.06 -0.71 0.05 0.00 0.00 0.00 0.00 61.98 61.38 2aed s VAL 90 Cb -0.17 -2.21 -0.06 0.00 0.00 0.00 0.00 36.38 33.94 2aed s VAL 90 CO 0.10 0.56 0.01 -0.72 0.00 0.00 0.00 175.10 175.06 2aed s TYR 91 N -0.24 1.99 -0.30 5.22 -0.85 -0.24 -4.10 117.35 118.83 2aed s TYR 91 Ca 0.01 -0.84 -0.10 0.00 -0.52 0.00 0.00 57.07 55.62 2aed s TYR 91 Cb -0.13 -1.26 -0.02 0.00 0.38 0.00 0.00 41.96 40.93 2aed s TYR 91 CO 0.03 0.14 0.17 0.34 -1.52 0.00 0.00 175.55 174.71 2aed s ASP 92 N -3.48 5.70 0.60 -0.18 -1.08 -1.26 -0.26 116.67 116.71 2aed s ASP 92 Ca 0.34 -0.37 0.39 0.00 -0.52 0.00 0.00 52.55 52.39 2aed s ASP 92 Cb 0.07 -2.05 1.97 0.00 -1.46 0.00 0.00 42.92 41.46 2aed s ASP 92 CO 0.14 -0.16 2.19 0.16 0.52 0.00 0.00 175.17 178.02 2aed h ILE 93 N 5.55 0.00 -0.01 4.11 -2.65 -1.51 -1.29 117.51 121.71 2aed h ILE 93 Ca -0.33 -0.18 0.00 0.00 1.03 0.00 0.00 64.86 65.37 2aed h ILE 93 Cb 1.16 1.15 0.00 0.00 -2.05 0.00 0.00 36.82 37.08 2aed h ILE 93 CO 0.60 0.00 -0.18 0.35 0.03 0.00 0.00 178.15 178.96 2aed n THR 94 N -3.02 0.00 -3.71 0.16 -2.24 -1.26 0.06 114.28 104.27 2aed n THR 94 Ca -0.02 -0.13 -0.29 0.00 -2.27 0.00 0.00 64.05 61.34 2aed n THR 94 Cb 0.15 0.29 -0.15 0.00 -2.10 0.00 0.00 70.33 68.52 2aed n THR 94 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 2aed s ARG 95 N -2.40 0.65 0.52 -0.78 0.52 -0.49 -4.49 118.95 112.48 2aed s ARG 95 Ca 0.28 -0.87 0.20 0.00 -0.52 0.00 0.00 55.73 54.82 2aed s ARG 95 Cb 0.20 -1.90 1.32 0.00 0.52 0.00 0.00 34.95 35.08 2aed s ARG 95 CO 0.48 -0.92 2.09 -0.09 0.02 0.00 0.00 175.30 176.88 2aed h ARG 96 N 8.16 0.00 -0.02 3.54 2.43 -1.84 -0.58 114.38 126.07 2aed h ARG 96 Ca -0.15 -0.00 0.01 0.00 -0.81 0.00 0.00 59.98 59.03 2aed h ARG 96 Cb 1.04 -0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 30.58 2aed h ARG 96 CO 0.44 0.00 0.02 0.66 -1.51 0.00 0.00 179.97 179.58 2aed h SER 97 N 0.00 0.00 0.77 -3.80 4.64 -1.95 0.11 113.55 113.32 2aed h SER 97 Ca 0.10 0.00 -0.16 0.00 -0.47 0.00 0.00 61.79 61.26 2aed h SER 97 Cb 0.42 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.49 2aed h SER 97 CO -0.00 0.00 -0.78 0.71 -0.87 0.00 0.00 176.83 175.89 2aed h THR 98 N 0.00 1.56 0.02 2.95 1.35 -1.39 -2.82 112.91 114.57 2aed h THR 98 Ca 0.01 -2.66 -0.16 0.00 -0.55 0.00 0.00 66.41 63.06 2aed h THR 98 Cb 0.05 2.43 0.01 0.00 -1.73 0.00 0.00 68.15 68.92 2aed h THR 98 CO -0.00 0.76 -0.62 0.22 -0.25 0.00 0.00 175.52 175.63 2aed h TYR 99 N 0.00 0.59 0.00 4.73 3.20 -1.29 -3.25 116.97 120.95 2aed h TYR 99 Ca -0.01 -0.33 0.00 0.00 3.14 0.00 0.00 58.73 61.53 2aed h TYR 99 Cb 1.37 -0.06 0.00 0.00 1.54 0.00 0.00 36.73 39.58 2aed h TYR 99 CO 0.00 1.16 0.04 -0.91 -1.64 0.00 0.00 178.16 176.81 2aed h ASN 100 N -0.15 0.00 -0.07 -2.11 2.35 -0.81 -1.42 115.58 113.38 2aed h ASN 100 Ca -0.08 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.67 2aed h ASN 100 Cb 1.35 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.72 2aed h ASN 100 CO 0.12 0.00 0.00 1.41 -1.65 0.00 0.00 177.43 177.31 2aed n HIS 101 N -2.89 0.07 -0.08 1.19 8.25 -1.07 -4.45 115.22 116.24 2aed n HIS 101 Ca -0.03 -0.03 -0.01 0.00 -0.26 0.00 0.00 57.72 57.39 2aed n HIS 101 Cb 0.10 0.00 0.26 0.00 1.12 0.00 0.00 29.99 31.47 2aed n HIS 101 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 2aed h LEU 102 N 2.60 0.64 -0.89 2.41 3.38 -1.36 -2.37 115.31 119.73 2aed h LEU 102 Ca 0.00 -0.09 -0.12 0.00 0.09 0.00 0.00 57.88 57.76 2aed h LEU 102 Cb 0.56 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.13 2aed h LEU 102 CO 0.00 0.62 -0.49 0.77 0.09 0.00 0.00 178.44 179.43 2aed h SER 103 N 0.69 0.17 -0.44 -0.43 4.64 -1.81 0.12 113.55 116.49 2aed h SER 103 Ca 0.16 -0.08 -0.08 0.00 -0.47 0.00 0.00 61.79 61.32 2aed h SER 103 Cb 0.21 -0.05 -0.02 0.00 -0.31 0.00 0.00 62.40 62.24 2aed h SER 103 CO -0.01 0.63 -0.03 -1.28 -0.87 0.00 0.00 176.83 175.27 2aed h SER 104 N 0.13 0.79 0.36 4.97 0.87 -1.77 -1.46 113.55 117.44 2aed h SER 104 Ca 0.00 -0.32 -0.13 0.00 -1.23 0.00 0.00 61.79 60.11 2aed h SER 104 Cb 0.91 -0.21 -0.01 0.00 -0.44 0.00 0.00 62.40 62.64 2aed h SER 104 CO 0.07 0.93 -0.53 -0.50 -0.53 0.00 0.00 176.83 176.26 2aed h TRP 105 N 0.64 0.23 -0.24 2.24 4.06 -1.00 -2.61 115.95 119.27 2aed h TRP 105 Ca 0.12 -0.08 -0.14 0.00 2.06 0.00 0.00 58.89 60.85 2aed h TRP 105 Cb 0.54 -0.05 -0.01 0.00 -1.00 0.00 0.00 29.16 28.64 2aed h TRP 105 CO 0.04 0.68 -0.43 1.25 -3.56 0.00 0.00 178.44 176.42 2aed h LEU 106 N 0.15 0.62 0.30 -4.49 5.85 -0.93 0.69 115.31 117.50 2aed h LEU 106 Ca 0.00 -0.29 -0.01 0.00 0.84 0.00 0.00 57.88 58.42 2aed h LEU 106 Cb 0.99 -0.17 0.00 0.00 0.37 0.00 0.00 40.66 41.85 2aed h LEU 106 CO 0.08 0.97 -0.15 0.74 -0.34 0.00 0.00 178.44 179.74 2aed h THR 107 N 0.47 0.72 -0.22 1.05 2.02 -1.11 0.11 112.91 115.96 2aed h THR 107 Ca 0.03 -0.19 0.05 0.00 0.77 0.00 0.00 66.41 67.07 2aed h THR 107 Cb 0.94 0.83 -0.05 0.00 -1.74 0.00 0.00 68.15 68.14 2aed h THR 107 CO 0.08 0.04 -0.08 0.44 0.37 0.00 0.00 175.52 176.37 2aed h ASP 108 N -0.51 -0.29 -0.77 4.18 3.32 -1.45 0.25 116.42 121.14 2aed h ASP 108 Ca -0.04 0.08 0.08 0.00 0.02 0.00 0.00 57.03 57.17 2aed h ASP 108 Cb 0.38 0.17 -0.07 0.00 0.22 0.00 0.00 39.33 40.03 2aed h ASP 108 CO 0.07 -0.11 0.44 0.00 -1.72 0.00 0.00 179.24 177.92 2aed h ALA 109 N 1.16 1.08 0.07 3.45 0.00 -0.72 0.38 119.26 124.67 2aed h ALA 109 Ca 0.11 0.03 -0.00 0.00 0.00 0.00 0.00 54.91 55.05 2aed h ALA 109 Cb 0.22 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.88 2aed h ALA 109 CO -0.25 0.09 -0.03 0.00 0.00 0.00 0.00 179.25 179.05 2aed h ARG 110 N 0.76 -0.09 -0.80 0.00 2.47 -0.79 -3.20 114.38 112.74 2aed h ARG 110 Ca 0.36 0.01 0.04 0.00 -1.26 0.00 0.00 59.98 59.13 2aed h ARG 110 Cb 0.30 0.02 -0.05 0.00 -1.65 0.00 0.00 29.97 28.59 2aed h ARG 110 CO -0.23 0.49 0.52 -0.97 0.56 0.00 0.00 179.97 180.35 2aed h ASN 111 N -0.87 0.82 0.06 7.04 -1.24 -0.23 -3.07 115.58 118.10 2aed h ASN 111 Ca -0.01 -0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.00 2aed h ASN 111 Cb 0.62 -0.18 0.00 0.00 0.73 0.00 0.00 38.32 39.49 2aed h ASN 111 CO 0.01 0.55 -0.27 0.18 -1.29 0.00 0.00 177.43 176.61 2aed n LEU 112 N -4.46 1.80 0.00 0.34 4.77 0.13 -4.94 117.00 114.64 2aed n LEU 112 Ca 0.11 -0.61 0.00 0.00 -0.03 0.00 0.00 56.01 55.48 2aed n LEU 112 Cb 0.15 -0.04 0.00 0.00 -2.33 0.00 0.00 43.42 41.20 2aed n LEU 112 CO 0.34 0.32 0.00 0.35 -1.33 0.00 0.00 177.39 177.08 2aed n THR 113 N 0.03 0.00 -4.46 -5.08 -2.24 -1.16 -3.72 114.28 97.65 2aed n THR 113 Ca 0.12 0.00 -0.22 0.00 -2.27 0.00 0.00 64.05 61.68 2aed n THR 113 Cb 0.44 0.00 -0.10 0.00 -2.10 0.00 0.00 70.33 68.57 2aed n THR 113 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 2aed s ASN 114 N 0.16 2.38 0.30 3.42 2.20 -1.26 -4.61 114.94 117.52 2aed s ASN 114 Ca 0.00 -1.43 0.24 0.00 -0.94 0.00 0.00 52.86 50.73 2aed s ASN 114 Cb 0.00 0.03 1.07 0.00 -2.00 0.00 0.00 41.25 40.35 2aed s ASN 114 CO 0.00 -0.67 1.72 -0.65 -2.94 0.00 0.00 177.10 174.56 2aed h PRO 115 N 2.07 0.00 0.00 3.55 0.11 -1.94 -2.61 132.00 133.18 2aed h PRO 115 Ca -0.40 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.71 2aed h PRO 115 Cb 1.25 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.36 2aed h PRO 115 CO 0.67 0.00 -0.75 0.09 -0.21 0.00 0.00 178.00 177.81 2aed n ASN 116 N -2.29 0.65 -4.65 -2.05 3.02 -1.26 -4.96 115.26 103.72 2aed n ASN 116 Ca 0.01 -0.38 -0.52 0.00 -0.03 0.00 0.00 54.58 53.65 2aed n ASN 116 Cb 0.18 0.55 -0.06 0.00 -0.61 0.00 0.00 39.78 39.83 2aed n ASN 116 CO 0.00 0.00 0.00 0.41 -2.62 0.00 0.00 177.26 175.05 2aed n THR 117 N -1.65 0.40 -2.68 3.41 -1.04 -0.99 -4.92 114.28 106.83 2aed n THR 117 Ca 0.04 -0.12 -0.43 0.00 -2.04 0.00 0.00 64.05 61.50 2aed n THR 117 Cb 0.36 -1.61 -0.02 0.00 -1.82 0.00 0.00 70.33 67.24 2aed n THR 117 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 2aed s VAL 118 N 4.63 4.71 -0.19 12.58 1.01 0.31 -4.90 120.40 138.55 2aed s VAL 118 Ca 0.98 2.01 -0.05 0.00 0.00 0.00 0.00 61.98 64.92 2aed s VAL 118 Cb -0.86 -4.30 -0.03 0.00 0.00 0.00 0.00 36.38 31.19 2aed s VAL 118 CO 0.56 -0.13 0.01 -0.63 0.00 0.00 0.00 175.10 174.91 2aed s ILE 119 N 2.89 4.15 -0.09 2.22 1.01 -1.26 -0.04 121.20 130.08 2aed s ILE 119 Ca 0.45 -0.25 0.05 0.00 0.00 0.00 0.00 60.65 60.89 2aed s ILE 119 Cb -0.16 -2.87 -0.00 0.00 0.01 0.00 0.00 42.46 39.44 2aed s ILE 119 CO 0.09 0.44 -0.24 -0.51 0.00 0.00 0.00 174.94 174.72 2aed s ILE 120 N 0.81 2.08 -0.06 2.92 2.07 -0.28 -2.87 121.20 125.87 2aed s ILE 120 Ca 0.01 -1.03 -0.19 0.00 -1.41 0.00 0.00 60.65 58.03 2aed s ILE 120 Cb -0.14 -1.78 -0.05 0.00 0.13 0.00 0.00 42.46 40.63 2aed s ILE 120 CO 0.02 0.56 0.54 -0.22 -1.91 0.00 0.00 174.94 173.93 2aed s LEU 121 N 0.16 4.35 -0.13 8.50 2.96 0.13 -0.68 118.68 133.96 2aed s LEU 121 Ca -0.13 1.00 0.01 0.00 -0.22 0.00 0.00 54.13 54.79 2aed s LEU 121 Cb -0.16 -2.81 0.02 0.00 0.50 0.00 0.00 46.19 43.73 2aed s LEU 121 CO 0.07 0.06 -0.17 -0.63 -1.32 0.00 0.00 176.35 174.36 2aed s ILE 122 N 0.15 1.70 -0.55 6.68 -1.09 0.95 -1.95 121.20 127.09 2aed s ILE 122 Ca 0.29 -0.75 -0.18 0.00 -2.23 0.00 0.00 60.65 57.78 2aed s ILE 122 Cb -0.17 -1.55 0.10 0.00 -1.58 0.00 0.00 42.46 39.27 2aed s ILE 122 CO 0.14 0.48 0.60 -0.83 -1.23 0.00 0.00 174.94 174.10 2aed s GLY 123 N 1.10 1.90 0.51 6.18 0.00 -0.52 -1.08 107.32 115.41 2aed s GLY 123 Ca -0.03 -2.24 0.05 0.00 0.00 0.00 0.00 44.72 42.50 2aed s GLY 123 CO -0.05 1.39 0.71 0.21 0.00 0.00 0.00 173.10 175.36 2aed s ASN 124 N 3.37 5.35 -1.31 1.64 2.47 0.64 0.18 114.94 127.28 2aed s ASN 124 Ca 0.09 -0.29 -0.05 0.00 0.42 0.00 0.00 52.86 53.02 2aed s ASN 124 Cb -0.25 -0.61 0.01 0.00 -1.45 0.00 0.00 41.25 38.94 2aed s ASN 124 CO 0.06 -1.05 0.72 0.29 -3.72 0.00 0.00 177.10 173.40 2aed n LYS 125 N -2.16 -5.33 0.32 0.43 5.02 -0.99 -1.33 118.16 114.11 2aed n LYS 125 Ca 0.09 0.78 0.21 0.00 -2.02 0.00 0.00 58.31 57.37 2aed n LYS 125 Cb 0.60 -5.46 1.05 0.00 -0.02 0.00 0.00 35.03 31.20 2aed n LYS 125 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2aed h ALA 126 N 0.89 1.00 0.00 7.82 0.00 -1.53 -2.33 119.26 125.11 2aed h ALA 126 Ca -0.48 0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.40 2aed h ALA 126 Cb 1.32 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 19.11 2aed h ALA 126 CO 0.50 0.00 -0.13 0.38 0.00 0.00 0.00 179.25 180.00 2aed h ASP 127 N 0.00 0.00 -0.88 0.00 2.03 -1.92 -3.29 116.42 112.36 2aed h ASP 127 Ca 0.00 0.00 -0.70 0.00 -0.73 0.00 0.00 57.03 55.60 2aed h ASP 127 Cb 0.16 0.00 -0.09 0.00 -0.83 0.00 0.00 39.33 38.56 2aed h ASP 127 CO 0.00 0.13 2.52 0.18 -1.03 0.00 0.00 179.24 181.04 2aed n LEU 128 N -3.41 8.04 -0.26 0.15 4.77 -0.88 -4.75 117.00 120.66 2aed n LEU 128 Ca -0.01 -4.69 -0.02 0.00 -0.03 0.00 0.00 56.01 51.26 2aed n LEU 128 Cb 0.31 -1.39 0.16 0.00 -2.33 0.00 0.00 43.42 40.17 2aed n LEU 128 CO 0.30 2.04 1.17 1.05 -1.33 0.00 0.00 177.39 180.61 2aed h GLU 129 N 4.53 1.10 0.00 3.23 4.11 -1.81 -0.41 114.58 125.33 2aed h GLU 129 Ca 0.71 -0.12 0.00 0.00 0.07 0.00 0.00 59.36 60.02 2aed h GLU 129 Cb 0.35 -0.22 0.00 0.00 0.50 0.00 0.00 28.75 29.38 2aed h GLU 129 CO 1.47 0.80 0.00 0.00 0.07 0.00 0.00 179.01 181.35 2aed h ALA 130 N 1.38 1.00 -0.17 1.06 0.00 -1.93 -2.54 119.26 118.05 2aed h ALA 130 Ca 0.28 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.19 2aed h ALA 130 Cb 0.02 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.81 2aed h ALA 130 CO -0.05 0.00 0.00 1.04 0.00 0.00 0.00 179.25 180.24 2aed n GLN 131 N -2.72 2.04 -1.62 0.00 3.00 -0.17 -4.99 117.38 112.91 2aed n GLN 131 Ca 0.00 -1.55 -0.49 0.00 -0.01 0.00 0.00 57.00 54.96 2aed n GLN 131 Cb 0.22 -1.46 -0.05 0.00 0.00 0.00 0.00 30.24 28.96 2aed n GLN 131 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.06 174.93 2aed n ARG 132 N 0.80 1.59 0.00 -1.09 0.63 -0.96 -4.42 116.66 113.22 2aed n ARG 132 Ca 0.17 0.57 0.00 0.00 -0.92 0.00 0.00 57.85 57.67 2aed n ARG 132 Cb 0.46 -2.24 0.00 0.00 0.45 0.00 0.00 32.46 31.13 2aed n ARG 132 CO 0.00 0.00 0.00 -3.47 -2.51 0.00 0.00 177.63 171.65 2aed n ASP 133 N 2.70 2.50 -4.08 6.15 2.03 0.11 -4.93 116.55 121.02 2aed n ASP 133 Ca 0.17 -0.17 -0.25 0.00 0.52 0.00 0.00 54.79 55.05 2aed n ASP 133 Cb 0.25 0.84 -0.16 0.00 -0.72 0.00 0.00 41.12 41.32 2aed n ASP 133 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 2aed s VAL 134 N -1.34 1.27 0.60 5.18 1.01 -0.60 -4.69 120.40 121.83 2aed s VAL 134 Ca 0.00 -0.60 -0.14 0.00 0.00 0.00 0.00 61.98 61.25 2aed s VAL 134 Cb 0.00 -1.12 -0.04 0.00 0.00 0.00 0.00 36.38 35.22 2aed s VAL 134 CO 0.00 0.38 1.03 0.42 0.00 0.00 0.00 175.10 176.93 2aed s THR 135 N 0.32 4.24 0.23 3.92 -4.23 -1.26 -4.95 115.64 113.91 2aed s THR 135 Ca -0.09 0.91 -0.07 0.00 -1.18 0.00 0.00 61.69 61.26 2aed s THR 135 Cb -0.13 -3.58 0.21 0.00 1.34 0.00 0.00 72.50 70.34 2aed s THR 135 CO 0.03 -0.77 1.88 0.22 -0.54 0.00 0.00 174.62 175.44 2aed h TYR 136 N 0.14 1.18 0.07 3.99 3.20 -2.00 -3.16 116.97 120.39 2aed h TYR 136 Ca -0.46 -0.00 -0.00 0.00 3.14 0.00 0.00 58.73 61.41 2aed h TYR 136 Cb 1.20 -0.39 0.00 0.00 1.54 0.00 0.00 36.73 39.08 2aed h TYR 136 CO 0.62 0.78 -0.04 0.93 -1.64 0.00 0.00 178.16 178.82 2aed h GLU 137 N 1.24 -0.10 -0.75 1.82 3.07 -1.99 -0.88 114.58 116.99 2aed h GLU 137 Ca 0.32 0.01 -0.01 0.00 -0.50 0.00 0.00 59.36 59.18 2aed h GLU 137 Cb -0.06 0.02 -0.04 0.00 -0.84 0.00 0.00 28.75 27.84 2aed h GLU 137 CO -0.06 0.25 0.44 1.05 -1.40 0.00 0.00 179.01 179.29 2aed h GLU 138 N -0.45 1.02 -0.55 2.33 4.11 -1.97 -1.69 114.58 117.38 2aed h GLU 138 Ca -0.01 -0.09 -0.06 0.00 0.07 0.00 0.00 59.36 59.26 2aed h GLU 138 Cb 0.39 -0.21 -0.02 0.00 0.50 0.00 0.00 28.75 29.40 2aed h GLU 138 CO 0.02 0.73 0.11 0.00 0.07 0.00 0.00 179.01 179.93 2aed h ALA 139 N 1.45 0.73 -0.43 1.06 0.00 -1.47 -2.31 119.26 118.29 2aed h ALA 139 Ca 0.27 -0.24 -0.04 0.00 0.00 0.00 0.00 54.91 54.91 2aed h ALA 139 Cb -0.02 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.53 2aed h ALA 139 CO -0.05 0.46 0.12 -0.22 0.00 0.00 0.00 179.25 179.56 2aed h LYS 140 N 0.80 0.63 -0.47 0.00 3.64 -0.71 -1.63 116.57 118.83 2aed h LYS 140 Ca 0.17 -0.11 -0.10 0.00 -1.27 0.00 0.00 60.65 59.35 2aed h LYS 140 Cb 0.39 -0.11 -0.02 0.00 -0.41 0.00 0.00 32.23 32.08 2aed h LYS 140 CO 0.01 0.57 -0.08 0.37 -2.27 0.00 0.00 179.45 178.04 2aed h GLN 141 N 0.62 0.88 -0.57 1.90 5.75 -1.04 0.09 115.11 122.74 2aed h GLN 141 Ca 0.14 -0.32 -0.00 0.00 -0.15 0.00 0.00 58.65 58.32 2aed h GLN 141 Cb 0.22 -0.06 -0.03 0.00 1.07 0.00 0.00 27.48 28.68 2aed h GLN 141 CO -0.01 0.97 0.34 0.35 -2.65 0.00 0.00 178.83 177.83 2aed h PHE 142 N 0.73 0.76 0.25 3.99 3.57 -1.22 -1.06 116.94 123.95 2aed h PHE 142 Ca 0.12 -0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.61 2aed h PHE 142 Cb 0.62 -0.25 0.00 0.00 2.79 0.00 0.00 35.95 39.12 2aed h PHE 142 CO 0.05 0.52 -0.12 0.00 -2.23 0.00 0.00 178.31 176.53 2aed h ALA 143 N 1.17 -0.33 -0.05 2.41 0.00 -1.12 -1.75 119.26 119.59 2aed h ALA 143 Ca 0.20 -0.15 -0.08 0.00 0.00 0.00 0.00 54.91 54.89 2aed h ALA 143 Cb -0.01 0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 2aed h ALA 143 CO -0.04 -0.58 -0.34 1.05 0.00 0.00 0.00 179.25 179.35 2aed h GLU 144 N -0.55 0.09 -0.06 0.00 4.11 -0.94 0.18 114.58 117.40 2aed h GLU 144 Ca -0.03 -0.03 -0.08 0.00 0.07 0.00 0.00 59.36 59.29 2aed h GLU 144 Cb 0.41 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.64 2aed h GLU 144 CO 0.06 0.42 -0.32 1.49 0.07 0.00 0.00 179.01 180.72 2aed h GLU 145 N 0.08 0.11 -0.55 1.06 4.81 -1.14 -3.03 114.58 115.91 2aed h GLU 145 Ca 0.01 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.20 2aed h GLU 145 Cb 0.64 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 30.01 2aed h GLU 145 CO 0.05 0.43 0.00 0.09 -0.73 0.00 0.00 179.01 178.85 2aed n ASN 146 N -4.13 3.48 -3.54 1.04 3.02 -0.61 -4.97 115.26 109.55 2aed n ASN 146 Ca -0.02 -2.00 -0.21 0.00 -0.03 0.00 0.00 54.58 52.33 2aed n ASN 146 Cb 0.39 -0.37 0.08 0.00 -0.61 0.00 0.00 39.78 39.27 2aed n ASN 146 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2aed n GLY 147 N 1.13 -0.45 3.69 7.41 0.00 -0.37 -5.02 105.19 111.58 2aed n GLY 147 Ca 0.19 0.18 -0.31 0.00 0.00 0.00 0.00 46.02 46.07 2aed n GLY 147 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2aed s LEU 148 N -6.85 3.50 0.52 0.99 1.43 0.48 -4.85 118.68 113.89 2aed s LEU 148 Ca 0.30 -0.08 -0.19 0.00 -1.03 0.00 0.00 54.13 53.13 2aed s LEU 148 Cb -0.13 -2.11 -0.07 0.00 0.03 0.00 0.00 46.19 43.91 2aed s LEU 148 CO 0.74 0.23 1.04 -0.76 0.23 0.00 0.00 176.35 177.83 2aed s LEU 149 N -1.92 3.72 -0.09 1.79 1.43 -1.14 -4.33 118.68 118.15 2aed s LEU 149 Ca 0.23 1.88 -0.04 0.00 -1.03 0.00 0.00 54.13 55.17 2aed s LEU 149 Cb -0.12 -4.55 0.05 0.00 0.03 0.00 0.00 46.19 41.60 2aed s LEU 149 CO 0.14 -0.90 0.20 0.12 0.23 0.00 0.00 176.35 176.14 2aed s PHE 150 N -2.16 -0.27 0.01 0.29 5.36 -1.26 0.19 117.98 120.14 2aed s PHE 150 Ca 0.66 0.69 0.01 0.00 -0.96 0.00 0.00 56.93 57.32 2aed s PHE 150 Cb -0.16 -0.04 -0.01 0.00 -0.34 0.00 0.00 43.02 42.47 2aed s PHE 150 CO 0.26 -0.23 -0.03 -0.51 -1.46 0.00 0.00 175.22 173.25 2aed s LEU 151 N 1.48 2.10 0.09 6.12 1.43 -0.82 -4.98 118.68 124.10 2aed s LEU 151 Ca -0.07 -0.23 -0.15 0.00 -1.03 0.00 0.00 54.13 52.65 2aed s LEU 151 Cb -0.11 -0.07 -0.06 0.00 0.03 0.00 0.00 46.19 45.97 2aed s LEU 151 CO -0.07 -0.09 0.51 -1.61 0.23 0.00 0.00 176.35 175.32 2aed s GLU 152 N -0.63 4.01 0.15 1.70 2.02 -1.26 -1.44 118.70 123.25 2aed s GLU 152 Ca -0.05 0.51 -0.05 0.00 0.02 0.00 0.00 54.97 55.40 2aed s GLU 152 Cb -0.04 -3.08 -0.02 0.00 0.10 0.00 0.00 34.13 31.08 2aed s GLU 152 CO -0.00 0.58 0.18 0.00 0.02 0.00 0.00 175.26 176.03 2aed s ALA 153 N -1.28 0.46 -0.26 5.21 0.00 0.13 -4.73 121.76 121.28 2aed s ALA 153 Ca 0.32 -1.20 -0.02 0.00 0.00 0.00 0.00 51.96 51.05 2aed s ALA 153 Cb -0.16 0.90 0.09 0.00 0.00 0.00 0.00 23.12 23.94 2aed s ALA 153 CO 0.18 -0.58 0.08 0.45 0.00 0.00 0.00 175.76 175.89 2aed s SER 154 N -3.02 3.54 0.52 0.00 0.15 -0.31 -1.67 113.70 112.91 2aed s SER 154 Ca 0.22 -1.28 0.20 0.00 0.70 0.00 0.00 55.95 55.79 2aed s SER 154 Cb 0.05 -0.67 1.30 0.00 -1.71 0.00 0.00 66.02 64.99 2aed s SER 154 CO 0.02 -0.38 2.06 0.00 1.20 0.00 0.00 173.24 176.14 2aed h ALA 155 N 8.21 2.22 0.02 5.45 0.00 -1.91 0.96 119.26 134.21 2aed h ALA 155 Ca -0.16 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.74 2aed h ALA 155 Cb 1.05 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.85 2aed h ALA 155 CO 0.42 -0.30 -0.01 -0.22 0.00 0.00 0.00 179.25 179.14 2aed h LYS 156 N 0.04 -0.02 0.07 0.00 3.64 -1.94 -3.35 116.57 115.02 2aed h LYS 156 Ca 0.14 0.00 -0.28 0.00 -1.27 0.00 0.00 60.65 59.24 2aed h LYS 156 Cb 0.50 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.31 2aed h LYS 156 CO -0.01 0.58 -1.46 1.79 -2.27 0.00 0.00 179.45 178.08 2aed h THR 157 N -0.64 1.20 0.00 1.00 1.35 -1.95 -3.48 112.91 110.39 2aed h THR 157 Ca -0.00 -2.90 0.00 0.00 -0.55 0.00 0.00 66.41 62.96 2aed h THR 157 Cb 0.61 2.71 0.00 0.00 -1.73 0.00 0.00 68.15 69.74 2aed h THR 157 CO 0.00 0.79 0.00 0.61 -0.25 0.00 0.00 175.52 176.67 2aed n GLY 158 N 1.59 0.60 3.72 5.82 0.00 0.33 -5.07 105.19 112.17 2aed n GLY 158 Ca -0.13 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.47 2aed n GLY 158 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2aed s GLU 159 N -0.72 4.23 -0.12 1.61 4.04 -1.02 -2.60 118.70 124.12 2aed s GLU 159 Ca 0.00 2.34 0.00 0.00 0.04 0.00 0.00 54.97 57.35 2aed s GLU 159 Cb 0.00 -3.15 0.00 0.00 0.02 0.00 0.00 34.13 31.00 2aed s GLU 159 CO 0.00 -0.57 0.00 0.09 -1.84 0.00 0.00 175.26 172.94 2aed n ASN 160 N 3.72 -5.63 0.05 0.83 3.02 -1.26 -1.16 115.26 114.83 2aed n ASN 160 Ca 0.13 0.03 -0.20 0.00 -0.03 0.00 0.00 54.58 54.50 2aed n ASN 160 Cb 0.39 -3.23 -0.13 0.00 -0.61 0.00 0.00 39.78 36.20 2aed n ASN 160 CO 0.00 0.00 0.00 0.58 -2.62 0.00 0.00 177.26 175.22 2aed h VAL 161 N 0.00 1.39 -0.08 2.41 2.07 -1.80 -0.85 116.25 119.38 2aed h VAL 161 Ca -0.02 -2.35 -0.00 0.00 0.82 0.00 0.00 66.70 65.14 2aed h VAL 161 Cb 0.90 2.80 -0.00 0.00 -1.52 0.00 0.00 31.29 33.47 2aed h VAL 161 CO 0.03 0.69 0.04 -0.33 0.02 0.00 0.00 177.57 178.02 2aed h GLU 162 N -0.03 0.12 -0.81 1.57 5.08 -1.90 -2.85 114.58 115.76 2aed h GLU 162 Ca -0.14 -0.02 0.11 0.00 -1.00 0.00 0.00 59.36 58.31 2aed h GLU 162 Cb 1.64 -0.02 -0.08 0.00 0.50 0.00 0.00 28.75 30.79 2aed h GLU 162 CO 0.17 0.21 0.44 -0.44 -1.00 0.00 0.00 179.01 178.39 2aed h ASP 163 N 0.01 0.59 -0.28 1.42 5.19 -1.94 0.54 116.42 121.95 2aed h ASP 163 Ca 0.03 0.06 0.05 0.00 -0.62 0.00 0.00 57.03 56.55 2aed h ASP 163 Cb 0.12 -0.04 -0.08 0.00 0.18 0.00 0.00 39.33 39.51 2aed h ASP 163 CO -0.00 0.31 -0.47 0.00 -3.12 0.00 0.00 179.24 175.96 2aed h ALA 164 N 1.48 -0.63 -0.14 3.45 0.00 -1.01 0.50 119.26 122.91 2aed h ALA 164 Ca 0.41 0.01 -0.17 0.00 0.00 0.00 0.00 54.91 55.16 2aed h ALA 164 Cb 0.45 0.93 -0.01 0.00 0.00 0.00 0.00 17.79 19.16 2aed h ALA 164 CO -0.29 -0.96 -0.62 0.74 0.00 0.00 0.00 179.25 178.13 2aed h PHE 165 N -0.44 0.62 0.03 0.00 0.04 -0.92 -3.18 116.94 113.09 2aed h PHE 165 Ca 0.09 -0.24 -0.23 0.00 2.80 0.00 0.00 57.97 60.38 2aed h PHE 165 Cb 0.62 -0.11 0.00 0.00 2.20 0.00 0.00 35.95 38.66 2aed h PHE 165 CO -0.60 0.97 -1.01 -0.07 -0.60 0.00 0.00 178.31 177.01 2aed h LEU 166 N 0.36 0.48 -0.37 1.54 3.38 0.18 -2.84 115.31 118.04 2aed h LEU 166 Ca -0.01 -0.42 -0.02 0.00 0.09 0.00 0.00 57.88 57.53 2aed h LEU 166 Cb 1.17 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 41.75 2aed h LEU 166 CO 0.11 1.24 0.15 -0.33 0.09 0.00 0.00 178.44 179.70 2aed h GLU 167 N 0.18 0.55 -0.09 1.13 4.39 -0.02 -1.50 114.58 119.22 2aed h GLU 167 Ca -0.09 -0.10 0.04 0.00 0.34 0.00 0.00 59.36 59.55 2aed h GLU 167 Cb 1.66 -0.09 -0.04 0.00 -0.10 0.00 0.00 28.75 30.18 2aed h GLU 167 CO 0.17 0.52 -0.16 0.00 -1.16 0.00 0.00 179.01 178.38 2aed h ALA 168 N 1.00 -0.12 -1.00 3.43 0.00 -1.65 -2.47 119.26 118.45 2aed h ALA 168 Ca 0.12 0.04 0.10 0.00 0.00 0.00 0.00 54.91 55.17 2aed h ALA 168 Cb 0.18 0.31 -0.08 0.00 0.00 0.00 0.00 17.79 18.20 2aed h ALA 168 CO -0.01 -0.63 0.63 0.00 0.00 0.00 0.00 179.25 179.25 2aed h ALA 169 N 0.78 1.50 -0.27 0.00 0.00 -1.22 0.21 119.26 120.27 2aed h ALA 169 Ca 0.08 0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.95 2aed h ALA 169 Cb 0.34 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 2aed h ALA 169 CO -0.22 0.28 -0.03 0.87 0.00 0.00 0.00 179.25 180.15 2aed h LYS 170 N 1.04 0.49 -0.05 0.00 1.57 -1.16 0.96 116.57 119.42 2aed h LYS 170 Ca 0.47 -0.17 -0.05 0.00 -1.87 0.00 0.00 60.65 59.03 2aed h LYS 170 Cb 0.40 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.67 2aed h LYS 170 CO -0.23 0.68 -0.19 -0.22 -0.57 0.00 0.00 179.45 178.92 2aed h LYS 171 N 0.26 0.07 -0.09 3.15 1.63 -0.91 -2.46 116.57 118.23 2aed h LYS 171 Ca 0.07 -0.02 -0.05 0.00 -0.85 0.00 0.00 60.65 59.81 2aed h LYS 171 Cb 0.48 -0.01 -0.00 0.00 -0.60 0.00 0.00 32.23 32.10 2aed h LYS 171 CO 0.02 0.26 -0.13 0.82 -3.45 0.00 0.00 179.45 176.98 2aed h ILE 172 N 0.07 1.39 -0.65 2.00 2.04 -0.33 -3.28 117.51 118.75 2aed h ILE 172 Ca 0.01 -1.37 0.09 0.00 1.00 0.00 0.00 64.86 64.59 2aed h ILE 172 Cb 0.38 2.10 -0.04 0.00 -0.74 0.00 0.00 36.82 38.51 2aed h ILE 172 CO 0.03 0.39 0.43 0.22 0.00 0.00 0.00 178.15 179.21 2aed h TYR 173 N -0.21 0.55 0.00 1.37 3.20 -0.50 -1.65 116.97 119.73 2aed h TYR 173 Ca 0.01 0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.89 2aed h TYR 173 Cb 0.69 -0.18 0.00 0.00 1.54 0.00 0.00 36.73 38.78 2aed h TYR 173 CO 0.10 0.27 0.06 1.04 -1.64 0.00 0.00 178.16 177.99 2aed n GLN 174 N -4.48 0.05 0.00 1.82 6.02 -0.96 -5.10 117.38 114.73 2aed n GLN 174 Ca 0.10 0.52 0.10 0.00 -0.01 0.00 0.00 57.00 57.71 2aed n GLN 174 Cb 0.33 -1.73 0.08 0.00 1.02 0.00 0.00 30.24 29.94 2aed n GLN 174 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14