#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1d8l s ILE 2 N 0.00 5.05 -0.35 3.17 1.01 -1.26 -4.92 121.20 123.89 1d8l s ILE 2 Ca 0.00 -0.26 0.22 0.00 0.00 0.00 0.00 60.65 60.61 1d8l s ILE 2 Cb 0.00 -4.06 -0.24 0.00 0.01 0.00 0.00 42.46 38.17 1d8l s ILE 2 CO 0.00 -0.45 0.73 0.61 0.00 0.00 0.00 174.94 175.83 1d8l n GLY 3 N 5.09 -1.09 3.59 6.18 0.00 -1.26 -4.30 105.19 113.39 1d8l n GLY 3 Ca -0.06 -0.48 -0.14 0.00 0.00 0.00 0.00 46.02 45.33 1d8l n GLY 3 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1d8l s ARG 4 N -3.34 0.83 -0.05 1.61 3.52 -1.26 -1.93 118.95 118.32 1d8l s ARG 4 Ca -0.02 0.56 0.04 0.00 -0.13 0.00 0.00 55.73 56.18 1d8l s ARG 4 Cb 0.14 0.40 0.00 0.00 -1.56 0.00 0.00 34.95 33.93 1d8l s ARG 4 CO 0.87 -0.19 -0.17 -0.51 -0.81 0.00 0.00 175.30 174.49 1d8l s LEU 5 N -0.40 1.88 -0.13 -0.88 1.43 -0.61 -4.94 118.68 115.03 1d8l s LEU 5 Ca -0.04 -0.37 -0.01 0.00 -1.03 0.00 0.00 54.13 52.69 1d8l s LEU 5 Cb -0.03 -0.99 0.04 0.00 0.03 0.00 0.00 46.19 45.23 1d8l s LEU 5 CO 0.03 0.13 -0.04 -0.60 0.23 0.00 0.00 176.35 176.10 1d8l s ARG 6 N 0.21 1.19 0.00 1.70 3.52 -1.26 -1.00 118.95 123.31 1d8l s ARG 6 Ca -0.08 -0.28 0.00 0.00 -0.13 0.00 0.00 55.73 55.24 1d8l s ARG 6 Cb -0.13 -1.65 0.00 0.00 -1.56 0.00 0.00 34.95 31.61 1d8l s ARG 6 CO 0.03 -0.37 0.00 0.41 -0.81 0.00 0.00 175.30 174.56 1d8l n GLY 7 N 4.98 0.82 3.68 8.12 0.00 -1.02 -4.72 105.19 117.04 1d8l n GLY 7 Ca -0.11 -0.84 -0.39 0.00 0.00 0.00 0.00 46.02 44.68 1d8l n GLY 7 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1d8l s ILE 8 N -2.25 5.10 -0.05 -0.61 -1.09 -0.38 -0.85 121.20 121.07 1d8l s ILE 8 Ca 0.00 1.02 -0.30 0.00 -2.23 0.00 0.00 60.65 59.15 1d8l s ILE 8 Cb 0.00 -3.87 -0.06 0.00 -1.58 0.00 0.00 42.46 36.95 1d8l s ILE 8 CO 0.00 0.20 1.75 -0.63 -1.23 0.00 0.00 174.94 175.03 1d8l s ILE 9 N 1.43 3.43 -0.21 2.92 1.01 -0.70 -0.70 121.20 128.38 1d8l s ILE 9 Ca 0.26 0.51 -0.19 0.00 0.00 0.00 0.00 60.65 61.23 1d8l s ILE 9 Cb -0.16 -3.34 -0.19 0.00 0.01 0.00 0.00 42.46 38.78 1d8l s ILE 9 CO 0.10 -0.06 0.16 -0.38 0.00 0.00 0.00 174.94 174.76 1d8l n ILE 10 N 5.64 1.56 -3.66 2.92 2.08 0.21 -1.06 119.36 127.06 1d8l n ILE 10 Ca 0.18 -0.14 -0.11 0.00 0.56 0.00 0.00 62.75 63.24 1d8l n ILE 10 Cb 0.43 -1.98 -0.05 0.00 -0.75 0.00 0.00 39.64 37.28 1d8l n ILE 10 CO 0.00 0.00 0.00 -1.83 0.56 0.00 0.00 176.55 175.28 1d8l s GLU 11 N -2.40 0.99 -0.31 0.38 -1.05 -1.16 -4.77 118.70 110.38 1d8l s GLU 11 Ca -0.29 -0.58 -0.00 0.00 -0.15 0.00 0.00 54.97 53.95 1d8l s GLU 11 Cb 0.07 0.44 0.10 0.00 -0.44 0.00 0.00 34.13 34.29 1d8l s GLU 11 CO 0.60 -0.37 0.08 0.15 0.95 0.00 0.00 175.26 176.68 1d8l s LYS 12 N -3.24 0.85 -0.55 -4.83 1.02 -1.26 -1.13 119.74 110.59 1d8l s LYS 12 Ca -0.00 -1.15 0.04 0.00 0.02 0.00 0.00 55.97 54.87 1d8l s LYS 12 Cb 0.01 -2.18 0.15 0.00 -0.52 0.00 0.00 37.83 35.28 1d8l s LYS 12 CO -0.08 -0.95 0.34 1.14 -0.92 0.00 0.00 175.35 174.88 1d8l s GLN 13 N 1.52 1.86 -0.17 1.68 1.03 0.12 -5.01 119.66 120.68 1d8l s GLN 13 Ca 0.09 -2.67 -0.38 0.00 0.04 0.00 0.00 55.36 52.45 1d8l s GLN 13 Cb -0.18 -2.91 -0.18 0.00 0.03 0.00 0.00 33.01 29.78 1d8l s GLN 13 CO -0.21 -1.21 1.13 -2.30 -2.54 0.00 0.00 175.29 170.15 1d8l n PRO 14 N 2.80 0.00 -0.26 9.60 -0.02 -1.26 -0.22 135.00 145.63 1d8l n PRO 14 Ca 0.14 0.00 0.09 0.00 -2.02 0.00 0.00 63.50 61.71 1d8l n PRO 14 Cb 0.35 -1.33 0.25 0.00 -0.02 0.00 0.00 33.50 32.76 1d8l n PRO 14 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 1d8l n PRO 15 N 2.18 2.27 -3.23 0.52 -0.04 -1.26 -5.10 135.00 130.33 1d8l n PRO 15 Ca 0.21 -1.96 -0.37 0.00 -0.04 0.00 0.00 63.50 61.34 1d8l n PRO 15 Cb 0.02 -1.44 -0.06 0.00 -0.04 0.00 0.00 33.50 31.99 1d8l n PRO 15 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1d8l s LEU 16 N -1.08 4.44 -0.06 1.53 1.43 0.69 -2.56 118.68 123.07 1d8l s LEU 16 Ca 0.37 1.28 0.05 0.00 -1.03 0.00 0.00 54.13 54.80 1d8l s LEU 16 Cb 0.19 -3.20 -0.01 0.00 0.03 0.00 0.00 46.19 43.21 1d8l s LEU 16 CO 0.26 0.16 -0.23 -0.69 0.23 0.00 0.00 176.35 176.09 1d8l s VAL 17 N -1.31 1.86 -0.33 -1.59 1.01 -0.17 -0.71 120.40 119.17 1d8l s VAL 17 Ca 0.35 -0.96 -0.07 0.00 0.00 0.00 0.00 61.98 61.31 1d8l s VAL 17 Cb -0.18 -1.58 0.03 0.00 0.00 0.00 0.00 36.38 34.65 1d8l s VAL 17 CO 0.20 0.52 0.10 -0.22 0.00 0.00 0.00 175.10 175.71 1d8l s LEU 18 N -0.08 4.25 -0.11 3.92 2.96 -0.28 -1.03 118.68 128.30 1d8l s LEU 18 Ca -0.04 -1.06 0.03 0.00 -0.22 0.00 0.00 54.13 52.84 1d8l s LEU 18 Cb -0.13 -1.88 -0.00 0.00 0.50 0.00 0.00 46.19 44.68 1d8l s LEU 18 CO 0.03 -0.30 -0.21 -0.51 -1.32 0.00 0.00 176.35 174.04 1d8l s ILE 19 N 1.43 2.26 -0.26 6.68 2.07 -0.89 0.67 121.20 133.15 1d8l s ILE 19 Ca -0.01 -0.94 -0.13 0.00 -1.41 0.00 0.00 60.65 58.17 1d8l s ILE 19 Cb -0.19 -1.89 -0.04 0.00 0.13 0.00 0.00 42.46 40.46 1d8l s ILE 19 CO 0.03 0.55 0.27 -0.70 -1.91 0.00 0.00 174.94 173.18 1d8l s GLU 20 N 0.45 4.01 -0.30 3.50 2.12 0.12 -0.94 118.70 127.67 1d8l s GLU 20 Ca -0.15 -0.14 0.03 0.00 0.36 0.00 0.00 54.97 55.07 1d8l s GLU 20 Cb -0.17 -3.63 0.08 0.00 0.26 0.00 0.00 34.13 30.67 1d8l s GLU 20 CO 0.06 -0.16 -0.01 0.08 -0.54 0.00 0.00 175.26 174.69 1d8l s VAL 21 N 1.71 2.04 0.00 3.70 1.01 -0.81 -1.26 120.40 126.79 1d8l s VAL 21 Ca 0.11 -1.90 0.00 0.00 0.00 0.00 0.00 61.98 60.18 1d8l s VAL 21 Cb -0.15 -2.37 0.00 0.00 0.00 0.00 0.00 36.38 33.86 1d8l s VAL 21 CO 0.09 -0.36 0.00 0.61 0.00 0.00 0.00 175.10 175.44 1d8l n GLY 22 N 4.41 2.18 0.03 4.51 0.00 -1.26 -2.30 105.19 112.76 1d8l n GLY 22 Ca -0.04 -0.44 0.03 0.00 0.00 0.00 0.00 46.02 45.56 1d8l n GLY 22 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1d8l n GLY 23 N 0.00 3.17 3.51 -0.02 0.00 -1.26 -4.98 105.19 105.61 1d8l n GLY 23 Ca 0.00 -0.32 -0.42 0.00 0.00 0.00 0.00 46.02 45.28 1d8l n GLY 23 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1d8l s VAL 24 N -1.46 5.15 -0.45 1.61 1.01 -0.97 -5.03 120.40 120.26 1d8l s VAL 24 Ca 0.09 -0.19 -0.26 0.00 0.00 0.00 0.00 61.98 61.62 1d8l s VAL 24 Cb 0.08 -3.92 0.03 0.00 0.00 0.00 0.00 36.38 32.57 1d8l s VAL 24 CO 0.01 -0.24 0.93 -0.83 0.00 0.00 0.00 175.10 174.97 1d8l s GLY 25 N 1.76 1.48 -0.11 4.51 0.00 -1.26 -1.93 107.32 111.76 1d8l s GLY 25 Ca 0.11 -0.75 -0.17 0.00 0.00 0.00 0.00 44.72 43.91 1d8l s GLY 25 CO 0.12 2.04 0.42 -0.19 0.00 0.00 0.00 173.10 175.49 1d8l s TYR 26 N 3.74 3.53 -0.21 1.90 2.02 -0.11 -4.89 117.35 123.33 1d8l s TYR 26 Ca 0.37 0.82 -0.22 0.00 -0.37 0.00 0.00 57.07 57.67 1d8l s TYR 26 Cb -0.10 -2.46 -0.02 0.00 -0.40 0.00 0.00 41.96 38.98 1d8l s TYR 26 CO 0.26 0.25 0.71 -1.21 -1.57 0.00 0.00 175.55 173.98 1d8l s GLU 27 N 0.36 4.20 -0.09 -0.62 2.02 -1.26 -2.10 118.70 121.21 1d8l s GLU 27 Ca 0.23 0.74 0.04 0.00 0.02 0.00 0.00 54.97 56.01 1d8l s GLU 27 Cb -0.15 -3.61 -0.01 0.00 0.10 0.00 0.00 34.13 30.47 1d8l s GLU 27 CO 0.09 -0.35 -0.24 0.08 0.02 0.00 0.00 175.26 174.87 1d8l s VAL 28 N 2.26 2.13 -0.26 2.63 1.01 -0.20 -4.37 120.40 123.61 1d8l s VAL 28 Ca 0.31 -1.01 -0.10 0.00 0.00 0.00 0.00 61.98 61.18 1d8l s VAL 28 Cb -0.16 -1.80 -0.04 0.00 0.00 0.00 0.00 36.38 34.38 1d8l s VAL 28 CO 0.10 0.56 0.15 -1.00 0.00 0.00 0.00 175.10 174.91 1d8l s HIS 29 N 0.15 3.21 0.20 5.22 0.09 -0.51 -1.00 115.29 122.66 1d8l s HIS 29 Ca -0.13 0.02 0.09 0.00 -0.00 0.00 0.00 55.06 55.05 1d8l s HIS 29 Cb -0.16 -2.30 -0.05 0.00 -0.00 0.00 0.00 32.58 30.07 1d8l s HIS 29 CO 0.07 -0.13 -0.18 -1.64 -0.00 0.00 0.00 174.74 172.86 1d8l s MET 30 N 1.46 1.39 0.36 1.40 -1.94 -1.06 -0.00 119.30 120.91 1d8l s MET 30 Ca 0.07 -1.55 -0.28 0.00 -1.71 0.00 0.00 55.69 52.22 1d8l s MET 30 Cb -0.15 -1.37 -0.11 0.00 2.01 0.00 0.00 34.83 35.21 1d8l s MET 30 CO 0.07 0.26 1.41 -2.14 -0.01 0.00 0.00 175.02 174.61 1d8l s PRO 31 N -3.23 4.21 0.32 2.03 0.02 -1.26 -4.85 135.00 132.24 1d8l s PRO 31 Ca 0.21 2.42 0.09 0.00 0.02 0.00 0.00 61.00 63.75 1d8l s PRO 31 Cb -0.04 -3.01 0.90 0.00 0.02 0.00 0.00 34.50 32.38 1d8l s PRO 31 CO 0.08 -0.39 1.70 0.52 -0.33 0.00 0.00 177.00 178.58 1d8l h MET 32 N 3.15 0.44 -0.63 5.54 2.86 -1.84 -0.31 114.93 124.14 1d8l h MET 32 Ca -0.50 -0.03 0.04 0.00 -2.06 0.00 0.00 59.70 57.16 1d8l h MET 32 Cb 1.23 -0.10 -0.05 0.00 0.06 0.00 0.00 31.60 32.75 1d8l h MET 32 CO 0.65 0.29 0.36 1.79 1.06 0.00 0.00 176.91 181.06 1d8l h THR 33 N 0.45 1.01 -0.83 2.22 1.35 -1.77 -1.93 112.91 113.42 1d8l h THR 33 Ca 0.65 -0.24 0.08 0.00 -0.55 0.00 0.00 66.41 66.35 1d8l h THR 33 Cb 1.31 0.26 -0.06 0.00 -1.73 0.00 0.00 68.15 67.94 1d8l h THR 33 CO -0.53 0.13 0.54 0.00 -0.25 0.00 0.00 175.52 175.40 1d8l h PHE 35 N 0.86 0.27 0.00 0.00 -1.00 -1.23 -1.63 116.94 114.22 1d8l h PHE 35 Ca 0.37 0.01 0.00 0.00 2.81 0.00 0.00 57.97 61.16 1d8l h PHE 35 Cb 0.32 -0.09 0.00 0.00 3.61 0.00 0.00 35.95 39.79 1d8l h PHE 35 CO -0.00 0.11 -0.44 0.66 -1.61 0.00 0.00 178.31 177.03 1d8l n TYR 36 N -4.43 0.41 0.92 -0.55 4.01 -0.89 -3.49 117.16 113.14 1d8l n TYR 36 Ca 0.12 0.12 0.12 0.00 -0.16 0.00 0.00 57.90 58.11 1d8l n TYR 36 Cb 0.57 -0.58 0.32 0.00 -0.31 0.00 0.00 39.34 39.34 1d8l n TYR 36 CO 0.00 0.00 0.00 0.39 -0.46 0.00 0.00 176.86 176.79 1d8l n GLU 37 N -1.91 0.06 -2.73 -0.72 4.71 -0.62 -4.93 120.64 114.49 1d8l n GLU 37 Ca 0.05 0.02 -0.33 0.00 -0.01 0.00 0.00 57.16 56.89 1d8l n GLU 37 Cb 0.40 -1.54 -0.06 0.00 -1.01 0.00 0.00 31.44 29.23 1d8l n GLU 37 CO 0.00 0.00 0.00 -0.51 0.09 0.00 0.00 177.13 176.71 1d8l s LEU 38 N -3.25 3.88 0.00 -4.62 1.43 -1.17 -5.07 118.68 109.89 1d8l s LEU 38 Ca 0.11 1.69 -0.09 0.00 -1.03 0.00 0.00 54.13 54.81 1d8l s LEU 38 Cb 0.17 -4.54 0.14 0.00 0.03 0.00 0.00 46.19 41.99 1d8l s LEU 38 CO 0.66 -0.44 0.36 -2.65 0.23 0.00 0.00 176.35 174.52 1d8l n PRO 39 N -0.81 -2.81 -3.67 1.29 -0.02 -1.26 -5.02 135.00 122.69 1d8l n PRO 39 Ca 0.07 -0.60 -0.22 0.00 -2.02 0.00 0.00 63.50 60.73 1d8l n PRO 39 Cb 0.54 -0.72 -0.02 0.00 -0.02 0.00 0.00 33.50 33.29 1d8l n PRO 39 CO 0.00 0.00 0.00 -1.83 1.98 0.00 0.00 175.50 175.65 1d8l s GLU 40 N -3.85 3.46 0.25 -0.52 -1.05 -1.26 -5.01 118.70 110.72 1d8l s GLU 40 Ca 0.27 -0.54 -0.30 0.00 -0.15 0.00 0.00 54.97 54.25 1d8l s GLU 40 Cb -0.04 -2.77 -0.14 0.00 -0.44 0.00 0.00 34.13 30.73 1d8l s GLU 40 CO 0.22 0.29 1.09 0.00 0.95 0.00 0.00 175.26 177.80 1d8l n ALA 41 N -1.60 -0.24 0.00 -0.84 0.00 -1.26 -1.85 120.51 114.72 1d8l n ALA 41 Ca -0.07 0.41 0.00 0.00 0.00 0.00 0.00 53.44 53.78 1d8l n ALA 41 Cb 0.57 -2.05 0.00 0.00 0.00 0.00 0.00 19.45 17.97 1d8l n ALA 41 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1d8l n GLY 42 N 1.51 2.68 3.92 0.00 0.00 -0.22 -4.99 105.19 108.08 1d8l n GLY 42 Ca 0.11 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.87 1d8l n GLY 42 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1d8l s GLN 43 N -0.18 3.55 0.24 1.61 -1.52 -0.77 -4.77 119.66 117.81 1d8l s GLN 43 Ca 0.00 -0.12 -0.30 0.00 -1.95 0.00 0.00 55.36 52.99 1d8l s GLN 43 Cb 0.00 -2.61 -0.09 0.00 -0.22 0.00 0.00 33.01 30.09 1d8l s GLN 43 CO 0.00 0.12 1.01 -2.00 -0.25 0.00 0.00 175.29 174.17 1d8l s GLU 44 N -4.08 4.76 0.07 2.91 2.12 -1.26 -1.72 118.70 121.48 1d8l s GLU 44 Ca 0.43 1.60 0.04 0.00 0.36 0.00 0.00 54.97 57.40 1d8l s GLU 44 Cb -0.10 -3.26 -0.03 0.00 0.26 0.00 0.00 34.13 31.00 1d8l s GLU 44 CO 0.35 0.36 -0.13 0.00 -0.54 0.00 0.00 175.26 175.30 1d8l s ALA 45 N -0.99 1.03 -0.19 6.30 0.00 -0.03 -4.87 121.76 123.01 1d8l s ALA 45 Ca 0.43 -0.95 0.01 0.00 0.00 0.00 0.00 51.96 51.45 1d8l s ALA 45 Cb -0.28 -0.06 0.03 0.00 0.00 0.00 0.00 23.12 22.81 1d8l s ALA 45 CO 0.35 0.12 -0.17 0.42 0.00 0.00 0.00 175.76 176.48 1d8l s ILE 46 N -1.33 1.99 -0.02 0.00 1.01 -1.26 -2.43 121.20 119.17 1d8l s ILE 46 Ca -0.04 -1.04 0.07 0.00 0.00 0.00 0.00 60.65 59.63 1d8l s ILE 46 Cb -0.10 -1.89 -0.02 0.00 0.01 0.00 0.00 42.46 40.47 1d8l s ILE 46 CO 0.02 0.39 -0.22 0.68 0.00 0.00 0.00 174.94 175.81 1d8l s VAL 47 N 1.28 1.72 -0.17 2.92 -7.23 -0.17 -4.86 120.40 113.89 1d8l s VAL 47 Ca 0.02 -0.93 -0.22 0.00 -1.81 0.00 0.00 61.98 59.04 1d8l s VAL 47 Cb -0.15 -1.43 -0.03 0.00 0.56 0.00 0.00 36.38 35.34 1d8l s VAL 47 CO -0.11 0.49 0.67 -0.36 -0.31 0.00 0.00 175.10 175.48 1d8l s PHE 48 N -0.48 3.42 0.19 2.82 0.08 0.40 -1.57 117.98 122.83 1d8l s PHE 48 Ca 0.08 1.03 0.07 0.00 0.12 0.00 0.00 56.93 58.22 1d8l s PHE 48 Cb -0.09 -2.83 -0.04 0.00 -0.57 0.00 0.00 43.02 39.50 1d8l s PHE 48 CO -0.01 -0.14 0.06 0.95 -0.10 0.00 0.00 175.22 175.99 1d8l s THR 49 N 1.74 4.03 -0.18 0.64 -4.23 -0.81 0.04 115.64 116.86 1d8l s THR 49 Ca 0.32 -1.35 0.00 0.00 -1.18 0.00 0.00 61.69 59.48 1d8l s THR 49 Cb -0.16 -3.06 0.04 0.00 1.34 0.00 0.00 72.50 70.66 1d8l s THR 49 CO 0.12 -0.16 -0.08 -2.28 -0.54 0.00 0.00 174.62 171.68 1d8l s HIS 50 N -1.83 2.05 -0.34 3.99 2.46 0.73 -4.56 115.29 117.80 1d8l s HIS 50 Ca 0.29 -1.33 -0.21 0.00 0.47 0.00 0.00 55.06 54.29 1d8l s HIS 50 Cb -0.09 -1.48 -0.00 0.00 -0.13 0.00 0.00 32.58 30.88 1d8l s HIS 50 CO 0.21 -0.68 0.66 0.12 -2.47 0.00 0.00 174.74 172.58 1d8l s PHE 51 N 1.52 3.17 -0.21 3.88 5.36 -1.26 -1.46 117.98 128.97 1d8l s PHE 51 Ca -0.00 0.48 -0.06 0.00 -0.96 0.00 0.00 56.93 56.39 1d8l s PHE 51 Cb -0.16 -3.12 -0.03 0.00 -0.34 0.00 0.00 43.02 39.37 1d8l s PHE 51 CO -0.08 -0.58 0.03 0.14 -1.46 0.00 0.00 175.22 173.27 1d8l s VAL 52 N 2.74 4.19 -0.14 3.12 -7.23 -0.03 -4.78 120.40 118.27 1d8l s VAL 52 Ca 0.26 -0.23 -0.03 0.00 -1.81 0.00 0.00 61.98 60.18 1d8l s VAL 52 Cb -0.14 -2.92 -0.03 0.00 0.56 0.00 0.00 36.38 33.85 1d8l s VAL 52 CO 0.14 0.41 -0.04 -0.69 -0.31 0.00 0.00 175.10 174.60 1d8l s VAL 53 N 1.08 3.85 0.14 1.32 1.01 -1.26 -0.84 120.40 125.70 1d8l s VAL 53 Ca 0.03 -0.38 -0.04 0.00 0.00 0.00 0.00 61.98 61.59 1d8l s VAL 53 Cb -0.14 -2.66 -0.03 0.00 0.00 0.00 0.00 36.38 33.54 1d8l s VAL 53 CO 0.02 0.52 0.13 0.00 0.00 0.00 0.00 175.10 175.76 1d8l s ARG 54 N 0.14 0.99 0.29 2.72 1.70 -0.10 -5.02 118.95 119.67 1d8l s ARG 54 Ca -0.02 -1.35 0.05 0.00 -0.47 0.00 0.00 55.73 53.94 1d8l s ARG 54 Cb -0.14 0.28 0.72 0.00 -0.57 0.00 0.00 34.95 35.25 1d8l s ARG 54 CO 0.03 -0.31 1.75 1.49 -1.08 0.00 0.00 175.30 177.18 1d8l h GLU 55 N 2.77 0.61 -0.02 3.89 4.81 -2.06 -2.08 114.58 122.50 1d8l h GLU 55 Ca -0.34 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 58.85 1d8l h GLU 55 Cb 1.21 -0.14 0.00 0.00 0.63 0.00 0.00 28.75 30.45 1d8l h GLU 55 CO 0.56 0.40 -0.32 -0.40 -0.73 0.00 0.00 179.01 178.52 1d8l n ASP 56 N -4.87 2.20 -3.53 1.04 5.75 -1.26 -5.03 116.55 110.85 1d8l n ASP 56 Ca 0.22 -1.60 -0.16 0.00 -0.01 0.00 0.00 54.79 53.24 1d8l n ASP 56 Cb 0.59 0.31 -0.06 0.00 -1.03 0.00 0.00 41.12 40.93 1d8l n ASP 56 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1d8l s ALA 57 N -2.34 -1.80 -0.21 2.12 0.00 -0.78 -5.12 121.76 113.62 1d8l s ALA 57 Ca 0.22 1.39 0.01 0.00 0.00 0.00 0.00 51.96 53.58 1d8l s ALA 57 Cb 0.19 -0.17 0.05 0.00 0.00 0.00 0.00 23.12 23.18 1d8l s ALA 57 CO 0.49 -0.36 -0.11 -0.65 0.00 0.00 0.00 175.76 175.13 1d8l s GLN 58 N -1.13 2.16 0.11 0.00 -0.21 -1.26 -0.93 119.66 118.39 1d8l s GLN 58 Ca -0.09 -0.98 0.09 0.00 0.02 0.00 0.00 55.36 54.41 1d8l s GLN 58 Cb -0.00 -2.57 -0.04 0.00 1.00 0.00 0.00 33.01 31.40 1d8l s GLN 58 CO 0.08 -0.45 -0.24 -0.51 -2.12 0.00 0.00 175.29 172.05 1d8l s LEU 59 N 1.31 2.29 -0.13 2.90 1.43 -0.02 -5.01 118.68 121.45 1d8l s LEU 59 Ca -0.03 -0.69 0.01 0.00 -1.03 0.00 0.00 54.13 52.39 1d8l s LEU 59 Cb -0.17 -1.08 -0.00 0.00 0.03 0.00 0.00 46.19 44.97 1d8l s LEU 59 CO -0.08 0.14 -0.18 -0.76 0.23 0.00 0.00 176.35 175.70 1d8l s LEU 60 N -1.86 2.37 -0.19 1.79 1.02 -1.26 -0.85 118.68 119.70 1d8l s LEU 60 Ca 0.10 -0.48 -0.02 0.00 0.02 0.00 0.00 54.13 53.75 1d8l s LEU 60 Cb -0.10 -1.52 -0.01 0.00 0.02 0.00 0.00 46.19 44.59 1d8l s LEU 60 CO 0.05 0.12 -0.09 -0.31 0.02 0.00 0.00 176.35 176.13 1d8l s TYR 61 N 0.60 2.89 0.01 0.29 2.02 -0.54 -1.43 117.35 121.20 1d8l s TYR 61 Ca -0.10 -0.96 0.04 0.00 -0.37 0.00 0.00 57.07 55.67 1d8l s TYR 61 Cb -0.16 -2.00 -0.03 0.00 -0.40 0.00 0.00 41.96 39.36 1d8l s TYR 61 CO 0.03 -0.49 -0.08 0.20 -1.57 0.00 0.00 175.55 173.64 1d8l s GLY 62 N 1.12 1.73 0.04 0.71 0.00 1.00 -0.19 107.32 111.73 1d8l s GLY 62 Ca 0.01 -1.04 0.02 0.00 0.00 0.00 0.00 44.72 43.70 1d8l s GLY 62 CO -0.02 -0.91 -0.07 -1.36 0.00 0.00 0.00 173.10 170.74 1d8l s PHE 63 N -0.99 0.59 -0.14 1.90 0.08 0.11 -4.25 117.98 115.28 1d8l s PHE 63 Ca 0.17 -0.54 0.22 0.00 0.12 0.00 0.00 56.93 56.90 1d8l s PHE 63 Cb -0.11 -0.36 0.51 0.00 -0.57 0.00 0.00 43.02 42.48 1d8l s PHE 63 CO 0.07 -0.11 1.65 -0.91 -0.10 0.00 0.00 175.22 175.82 1d8l h ASN 64 N 4.43 0.00 -5.26 1.36 -0.26 -1.89 0.11 115.58 114.08 1d8l h ASN 64 Ca -0.35 0.00 -0.10 0.00 -0.56 0.00 0.00 56.30 55.29 1d8l h ASN 64 Cb 1.20 0.00 -0.13 0.00 -1.06 0.00 0.00 38.32 38.33 1d8l h ASN 64 CO 0.42 0.23 -0.33 0.54 -1.06 0.00 0.00 177.43 177.23 1d8l s ASN 65 N -6.24 0.05 0.43 5.81 2.20 -1.26 -4.78 114.94 111.15 1d8l s ASN 65 Ca 0.04 -0.87 0.13 0.00 -0.94 0.00 0.00 52.86 51.22 1d8l s ASN 65 Cb 0.08 0.42 0.93 0.00 -2.00 0.00 0.00 41.25 40.68 1d8l s ASN 65 CO 0.67 -0.88 1.97 0.11 -2.94 0.00 0.00 177.10 176.03 1d8l h LYS 66 N 2.57 0.07 -0.80 3.55 1.57 -1.97 -2.93 116.57 118.62 1d8l h LYS 66 Ca -0.32 -0.01 -0.00 0.00 -1.87 0.00 0.00 60.65 58.44 1d8l h LYS 66 Cb 1.23 -0.01 -0.04 0.00 0.08 0.00 0.00 32.23 33.49 1d8l h LYS 66 CO 0.49 0.24 0.49 1.96 -0.57 0.00 0.00 179.45 182.06 1d8l h GLN 67 N 0.06 1.09 -0.38 3.15 7.50 -1.96 -1.44 115.11 123.13 1d8l h GLN 67 Ca 0.01 -0.10 -0.13 0.00 0.50 0.00 0.00 58.65 58.94 1d8l h GLN 67 Cb 0.34 -0.23 -0.01 0.00 0.05 0.00 0.00 27.48 27.63 1d8l h GLN 67 CO 0.02 0.76 -0.27 0.93 -1.50 0.00 0.00 178.83 178.78 1d8l h GLU 68 N 1.10 0.79 -0.73 1.46 5.08 -1.95 -2.30 114.58 118.04 1d8l h GLU 68 Ca 0.29 -0.35 -0.06 0.00 -1.00 0.00 0.00 59.36 58.24 1d8l h GLU 68 Cb -0.05 -0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.15 1d8l h GLU 68 CO -0.05 0.97 0.20 -0.09 -1.00 0.00 0.00 179.01 179.04 1d8l h ARG 69 N 0.68 1.15 -0.33 2.33 2.43 -1.35 -0.15 114.38 119.14 1d8l h ARG 69 Ca 0.08 -0.26 -0.03 0.00 -0.81 0.00 0.00 59.98 58.96 1d8l h ARG 69 Cb 0.80 -0.16 -0.01 0.00 -0.42 0.00 0.00 29.97 30.17 1d8l h ARG 69 CO 0.07 0.99 0.07 1.15 -1.51 0.00 0.00 179.97 180.74 1d8l h THR 70 N 1.09 1.23 -0.49 0.20 2.02 -1.19 -0.72 112.91 115.04 1d8l h THR 70 Ca 0.23 -0.77 0.01 0.00 0.77 0.00 0.00 66.41 66.64 1d8l h THR 70 Cb 0.34 1.11 -0.03 0.00 -1.74 0.00 0.00 68.15 67.84 1d8l h THR 70 CO -0.00 0.26 0.32 0.25 0.37 0.00 0.00 175.52 176.72 1d8l h LEU 71 N 0.37 0.55 -0.11 2.58 5.85 -1.15 -2.02 115.31 121.39 1d8l h LEU 71 Ca 0.10 -0.01 0.04 0.00 0.84 0.00 0.00 57.88 58.85 1d8l h LEU 71 Cb 0.32 -0.13 -0.04 0.00 0.37 0.00 0.00 40.66 41.17 1d8l h LEU 71 CO 0.00 0.40 -0.13 0.15 -0.34 0.00 0.00 178.44 178.52 1d8l h PHE 72 N 0.65 -0.34 -0.81 1.25 3.04 -0.80 -0.48 116.94 119.46 1d8l h PHE 72 Ca 0.18 0.02 0.08 0.00 3.98 0.00 0.00 57.97 62.23 1d8l h PHE 72 Cb -0.06 0.17 -0.07 0.00 2.56 0.00 0.00 35.95 38.55 1d8l h PHE 72 CO -0.05 -0.20 0.47 0.87 -2.02 0.00 0.00 178.31 177.38 1d8l h LYS 73 N -0.17 0.79 -0.24 1.11 1.57 -0.69 -2.56 116.57 116.38 1d8l h LYS 73 Ca 0.08 -0.05 -0.20 0.00 -1.87 0.00 0.00 60.65 58.62 1d8l h LYS 73 Cb 0.29 -0.18 0.00 0.00 0.08 0.00 0.00 32.23 32.43 1d8l h LYS 73 CO -0.21 0.52 -0.62 0.93 -0.57 0.00 0.00 179.45 179.50 1d8l h GLU 74 N 0.81 0.83 -0.39 3.15 4.39 -1.05 -3.25 114.58 119.08 1d8l h GLU 74 Ca 0.38 -0.57 0.07 0.00 0.34 0.00 0.00 59.36 59.57 1d8l h GLU 74 Cb 0.29 0.09 -0.06 0.00 -0.10 0.00 0.00 28.75 28.97 1d8l h GLU 74 CO -0.22 1.20 0.04 -0.07 -1.16 0.00 0.00 179.01 178.80 1d8l h LEU 75 N 0.62 -0.08 0.00 1.33 4.07 -0.70 -2.48 115.31 118.07 1d8l h LEU 75 Ca -0.01 0.08 0.00 0.00 0.08 0.00 0.00 57.88 58.03 1d8l h LEU 75 Cb 1.23 0.12 0.00 0.00 1.08 0.00 0.00 40.66 43.10 1d8l h LEU 75 CO 0.13 -0.00 0.00 2.30 -1.08 0.00 0.00 178.44 179.79 1d8l n ILE 76 N -5.15 0.05 0.32 1.22 -5.35 -1.03 -2.45 119.36 106.97 1d8l n ILE 76 Ca 0.02 0.01 0.12 0.00 -0.27 0.00 0.00 62.75 62.64 1d8l n ILE 76 Cb 0.19 -0.61 0.17 0.00 -1.74 0.00 0.00 39.64 37.66 1d8l n ILE 76 CO 0.00 0.00 0.00 0.11 -1.76 0.00 0.00 176.55 174.90 1d8l h LYS 77 N 0.00 0.00 -6.85 6.28 1.57 -1.48 -3.45 116.57 112.64 1d8l h LYS 77 Ca 0.00 0.00 -0.47 0.00 -1.87 0.00 0.00 60.65 58.31 1d8l h LYS 77 Cb 0.05 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.34 1d8l h LYS 77 CO 0.00 0.00 0.21 0.95 -0.57 0.00 0.00 179.45 180.04 1d8l s THR 78 N -3.22 4.53 0.16 -0.16 -4.23 -1.03 -5.02 115.64 106.68 1d8l s THR 78 Ca 0.06 1.24 -0.30 0.00 -1.18 0.00 0.00 61.69 61.51 1d8l s THR 78 Cb 0.09 -3.65 -0.07 0.00 1.34 0.00 0.00 72.50 70.20 1d8l s THR 78 CO 0.69 -0.18 1.12 0.20 -0.54 0.00 0.00 174.62 175.91 1d8l s ASN 79 N -2.14 7.22 0.00 3.99 -0.87 -1.26 -3.02 114.94 118.85 1d8l s ASN 79 Ca 0.56 2.10 0.00 0.00 -1.57 0.00 0.00 52.86 53.95 1d8l s ASN 79 Cb -0.11 -2.60 0.00 0.00 -0.02 0.00 0.00 41.25 38.52 1d8l s ASN 79 CO 0.16 -0.27 0.00 0.61 -2.57 0.00 0.00 177.10 175.03 1d8l n GLY 80 N 2.19 0.85 3.07 0.66 0.00 -1.26 -5.01 105.19 105.69 1d8l n GLY 80 Ca 0.04 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.73 1d8l n GLY 80 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1d8l s VAL 81 N -2.65 2.63 0.57 1.61 1.01 -1.17 -5.03 120.40 117.39 1d8l s VAL 81 Ca 0.00 -2.07 0.10 0.00 0.00 0.00 0.00 61.98 60.01 1d8l s VAL 81 Cb 0.00 -2.80 0.10 0.00 0.00 0.00 0.00 36.38 33.67 1d8l s VAL 81 CO 0.00 -0.50 0.79 0.61 0.00 0.00 0.00 175.10 176.00 1d8l n GLY 82 N 4.41 1.96 0.24 4.51 0.00 -1.26 -4.27 105.19 110.78 1d8l n GLY 82 Ca -0.02 -2.23 -0.03 0.00 0.00 0.00 0.00 46.02 43.75 1d8l n GLY 82 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1d8l h PRO 83 N 0.00 0.61 -0.51 1.61 0.11 -1.97 0.24 132.00 132.10 1d8l h PRO 83 Ca -0.27 -0.04 0.10 0.00 0.11 0.00 0.00 66.00 65.91 1d8l h PRO 83 Cb 1.23 -0.14 -0.09 0.00 0.11 0.00 0.00 31.00 32.12 1d8l h PRO 83 CO 0.38 0.41 -0.06 -0.22 -0.21 0.00 0.00 178.00 178.30 1d8l h LYS 84 N 0.63 0.06 -0.08 1.05 3.64 -2.00 0.36 116.57 120.22 1d8l h LYS 84 Ca 0.27 -0.00 -0.22 0.00 -1.27 0.00 0.00 60.65 59.42 1d8l h LYS 84 Cb 0.15 -0.01 0.01 0.00 -0.41 0.00 0.00 32.23 31.96 1d8l h LYS 84 CO -0.16 0.04 -0.84 1.25 -2.27 0.00 0.00 179.45 177.46 1d8l h LEU 85 N 0.06 0.75 -1.26 5.20 5.85 -1.85 -3.22 115.31 120.84 1d8l h LEU 85 Ca 0.25 -0.53 -0.07 0.00 0.84 0.00 0.00 57.88 58.37 1d8l h LEU 85 Cb 0.39 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 41.18 1d8l h LEU 85 CO -0.47 1.31 -0.27 0.00 -0.34 0.00 0.00 178.44 178.67 1d8l h ALA 86 N 0.66 1.39 -0.51 1.25 0.00 -0.32 -2.09 119.26 119.64 1d8l h ALA 86 Ca -0.06 -0.29 0.05 0.00 0.00 0.00 0.00 54.91 54.61 1d8l h ALA 86 Cb 1.46 -0.08 -0.05 0.00 0.00 0.00 0.00 17.79 19.13 1d8l h ALA 86 CO 0.16 0.43 0.23 -0.07 0.00 0.00 0.00 179.25 180.00 1d8l h LEU 87 N 0.14 0.30 -0.89 0.00 3.38 -0.96 -2.08 115.31 115.20 1d8l h LEU 87 Ca 0.02 0.04 -0.03 0.00 0.09 0.00 0.00 57.88 58.00 1d8l h LEU 87 Cb 0.56 -0.01 -0.04 0.00 0.09 0.00 0.00 40.66 41.26 1d8l h LEU 87 CO 0.04 0.21 0.42 0.00 0.09 0.00 0.00 178.44 179.19 1d8l h ALA 88 N 1.30 1.14 -0.44 1.53 0.00 -1.43 0.76 119.26 122.12 1d8l h ALA 88 Ca 0.23 -0.16 0.04 0.00 0.00 0.00 0.00 54.91 55.02 1d8l h ALA 88 Cb 0.18 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 17.61 1d8l h ALA 88 CO -0.19 0.66 0.30 0.82 0.00 0.00 0.00 179.25 180.83 1d8l h ILE 89 N 1.20 1.02 -0.00 0.00 2.04 -1.10 1.19 117.51 121.86 1d8l h ILE 89 Ca 0.29 -0.16 0.00 0.00 1.00 0.00 0.00 64.86 65.99 1d8l h ILE 89 Cb 0.10 0.52 0.00 0.00 -0.74 0.00 0.00 36.82 36.71 1d8l h ILE 89 CO -0.04 0.08 -0.77 0.18 0.00 0.00 0.00 178.15 177.60 1d8l n LEU 90 N -4.48 1.19 -0.06 1.44 4.77 -0.77 -3.28 117.00 115.82 1d8l n LEU 90 Ca 0.05 -0.49 -0.22 0.00 -0.03 0.00 0.00 56.01 55.33 1d8l n LEU 90 Cb 0.17 -0.04 -0.13 0.00 -2.33 0.00 0.00 43.42 41.10 1d8l n LEU 90 CO 0.35 0.26 -0.59 -1.28 -1.33 0.00 0.00 177.39 174.80 1d8l h SER 91 N 0.65 0.18 1.12 -1.43 0.87 0.22 -3.39 113.55 111.77 1d8l h SER 91 Ca 0.00 -0.70 -0.09 0.00 -1.23 0.00 0.00 61.79 59.77 1d8l h SER 91 Cb 0.56 -0.06 -0.01 0.00 -0.44 0.00 0.00 62.40 62.45 1d8l h SER 91 CO 0.00 1.62 -0.42 1.23 -0.53 0.00 0.00 176.83 178.73 1d8l h GLY 92 N -0.20 0.00 -4.50 5.77 0.00 0.12 -3.39 103.07 100.87 1d8l h GLY 92 Ca -0.36 0.00 -0.10 0.00 0.00 0.00 0.00 47.33 46.87 1d8l h GLY 92 CO -0.08 0.00 -0.12 -3.16 0.00 0.00 0.00 176.54 173.18 1d8l s MET 93 N -3.33 0.76 1.29 4.80 0.00 -1.21 -5.07 119.30 116.55 1d8l s MET 93 Ca 0.02 0.11 -0.16 0.00 0.00 0.00 0.00 55.69 55.65 1d8l s MET 93 Cb 0.09 0.35 0.33 0.00 0.00 0.00 0.00 34.83 35.61 1d8l s MET 93 CO 0.71 -0.20 0.97 -1.54 0.00 0.00 0.00 175.02 174.96 1d8l s SER 94 N -0.98 -0.06 0.07 -1.18 1.04 -1.26 -3.93 113.70 107.40 1d8l s SER 94 Ca -0.10 1.30 -0.19 0.00 0.48 0.00 0.00 55.95 57.44 1d8l s SER 94 Cb -0.03 -1.97 -0.11 0.00 0.10 0.00 0.00 66.02 64.01 1d8l s SER 94 CO 0.05 -4.81 1.42 0.00 0.98 0.00 0.00 173.24 170.88 1d8l h ALA 95 N -3.04 0.31 -0.34 5.32 0.00 -1.88 -3.25 119.26 116.38 1d8l h ALA 95 Ca -0.57 -0.30 0.04 0.00 0.00 0.00 0.00 54.91 54.08 1d8l h ALA 95 Cb 1.34 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 19.02 1d8l h ALA 95 CO 0.43 0.15 0.10 0.37 0.00 0.00 0.00 179.25 180.30 1d8l h GLN 96 N 0.16 0.22 0.06 0.00 5.75 -1.94 -3.03 115.11 116.32 1d8l h GLN 96 Ca 0.05 -0.01 0.01 0.00 -0.15 0.00 0.00 58.65 58.54 1d8l h GLN 96 Cb 0.61 -0.05 -0.03 0.00 1.07 0.00 0.00 27.48 29.08 1d8l h GLN 96 CO 0.03 0.15 -0.36 1.96 -2.65 0.00 0.00 178.83 177.96 1d8l h GLN 97 N 0.23 -0.47 -0.88 1.69 4.20 -1.93 -3.05 115.11 114.90 1d8l h GLN 97 Ca 0.15 0.03 0.20 0.00 0.06 0.00 0.00 58.65 59.10 1d8l h GLN 97 Cb 0.15 0.11 -0.16 0.00 0.30 0.00 0.00 27.48 27.87 1d8l h GLN 97 CO -0.18 -0.31 -0.07 0.35 -0.67 0.00 0.00 178.83 177.94 1d8l h PHE 98 N -0.49 -0.21 -0.06 2.96 3.57 -1.57 -1.12 116.94 120.03 1d8l h PHE 98 Ca -0.00 0.07 -0.06 0.00 3.53 0.00 0.00 57.97 61.51 1d8l h PHE 98 Cb 0.50 0.23 -0.01 0.00 2.79 0.00 0.00 35.95 39.46 1d8l h PHE 98 CO -0.42 -0.35 -0.24 0.28 -2.23 0.00 0.00 178.31 175.34 1d8l h VAL 99 N 0.04 1.20 -0.02 1.41 2.07 -1.42 -2.52 116.25 117.01 1d8l h VAL 99 Ca 0.47 -0.95 -0.00 0.00 0.82 0.00 0.00 66.70 67.04 1d8l h VAL 99 Cb 0.85 1.43 -0.00 0.00 -1.52 0.00 0.00 31.29 32.05 1d8l h VAL 99 CO -0.84 0.28 0.00 0.78 0.02 0.00 0.00 177.57 177.82 1d8l h ASN 100 N 0.09 0.04 -0.80 0.57 2.35 -1.18 -2.75 115.58 113.90 1d8l h ASN 100 Ca 0.01 -0.26 0.18 0.00 -0.55 0.00 0.00 56.30 55.69 1d8l h ASN 100 Cb 0.48 -0.01 -0.11 0.00 0.05 0.00 0.00 38.32 38.73 1d8l h ASN 100 CO 0.03 0.28 0.26 0.00 -1.65 0.00 0.00 177.43 176.36 1d8l h ALA 101 N 0.75 1.13 -0.32 -0.83 0.00 -1.19 0.21 119.26 119.01 1d8l h ALA 101 Ca 0.01 0.16 -0.17 0.00 0.00 0.00 0.00 54.91 54.91 1d8l h ALA 101 Cb 0.26 0.19 -0.00 0.00 0.00 0.00 0.00 17.79 18.24 1d8l h ALA 101 CO 0.00 -0.33 -0.47 0.28 0.00 0.00 0.00 179.25 178.74 1d8l h VAL 102 N 0.33 1.28 0.00 0.00 2.07 -1.40 0.47 116.25 118.99 1d8l h VAL 102 Ca 0.47 -1.65 -0.14 0.00 0.82 0.00 0.00 66.70 66.20 1d8l h VAL 102 Cb 0.82 1.52 -0.02 0.00 -1.52 0.00 0.00 31.29 32.09 1d8l h VAL 102 CO -0.51 0.54 -0.66 -0.33 0.02 0.00 0.00 177.57 176.63 1d8l h GLU 103 N 0.69 0.00 0.00 1.57 4.39 -0.91 -3.17 114.58 117.14 1d8l h GLU 103 Ca 0.04 0.00 -0.06 0.00 0.34 0.00 0.00 59.36 59.67 1d8l h GLU 103 Cb 1.06 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.70 1d8l h GLU 103 CO 0.11 0.66 -1.49 2.89 -1.16 0.00 0.00 179.01 180.01 1d8l n ARG 104 N -3.75 0.63 -2.28 2.33 1.85 0.62 -5.00 116.66 111.06 1d8l n ARG 104 Ca -0.01 0.04 -0.03 0.00 -1.00 0.00 0.00 57.85 56.84 1d8l n ARG 104 Cb 0.65 -1.71 0.00 0.00 -1.05 0.00 0.00 32.46 30.36 1d8l n ARG 104 CO 0.00 0.00 0.00 0.39 -0.01 0.00 0.00 177.63 178.01 1d8l n GLU 105 N -2.60 -0.60 -2.57 2.89 1.02 0.16 -5.00 120.64 113.95 1d8l n GLU 105 Ca -0.06 0.14 -0.41 0.00 -0.02 0.00 0.00 57.16 56.81 1d8l n GLU 105 Cb 0.66 -3.52 -0.03 0.00 -0.02 0.00 0.00 31.44 28.53 1d8l n GLU 105 CO 0.00 0.00 0.00 -1.21 1.18 0.00 0.00 177.13 177.10 1d8l s GLU 106 N -4.54 3.19 0.36 3.49 0.41 -0.72 -4.86 118.70 116.03 1d8l s GLU 106 Ca 0.03 -0.26 0.19 0.00 -0.41 0.00 0.00 54.97 54.52 1d8l s GLU 106 Cb -0.01 -4.18 0.51 0.00 -1.78 0.00 0.00 34.13 28.67 1d8l s GLU 106 CO 0.04 -2.12 1.65 -0.24 -0.49 0.00 0.00 175.26 174.10 1d8l h VAL 107 N 6.03 0.78 -0.72 2.63 3.04 -1.94 -3.27 116.25 122.80 1d8l h VAL 107 Ca -0.28 -1.67 0.02 0.00 -1.01 0.00 0.00 66.70 63.75 1d8l h VAL 107 Cb 1.05 2.07 -0.04 0.00 -2.01 0.00 0.00 31.29 32.36 1d8l h VAL 107 CO 1.27 0.37 0.47 1.23 -1.01 0.00 0.00 177.57 179.90 1d8l h GLY 108 N 2.61 1.03 0.39 3.17 0.00 -2.00 -3.18 103.07 105.09 1d8l h GLY 108 Ca -0.00 -0.36 0.04 0.00 0.00 0.00 0.00 47.33 47.00 1d8l h GLY 108 CO 0.05 0.34 -0.23 0.00 0.00 0.00 0.00 176.54 176.69 1d8l h ALA 109 N 1.28 -0.26 0.00 3.60 0.00 -1.99 -3.05 119.26 118.84 1d8l h ALA 109 Ca 0.28 0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.20 1d8l h ALA 109 Cb -0.06 0.43 0.00 0.00 0.00 0.00 0.00 17.79 18.16 1d8l h ALA 109 CO -0.08 -0.71 0.00 1.28 0.00 0.00 0.00 179.25 179.74 1d8l n LEU 110 N -5.36 0.00 0.15 0.00 4.77 -1.20 -3.54 117.00 111.82 1d8l n LEU 110 Ca -0.04 0.44 0.05 0.00 -0.03 0.00 0.00 56.01 56.43 1d8l n LEU 110 Cb 0.27 -0.44 0.05 0.00 -2.33 0.00 0.00 43.42 40.98 1d8l n LEU 110 CO 0.21 -0.10 0.49 1.62 -1.33 0.00 0.00 177.39 178.28 1d8l h VAL 111 N 0.00 0.61 -0.35 4.08 3.04 -1.53 -3.28 116.25 118.82 1d8l h VAL 111 Ca 0.00 -1.88 -0.09 0.00 -1.01 0.00 0.00 66.70 63.72 1d8l h VAL 111 Cb 0.34 2.27 -0.02 0.00 -2.01 0.00 0.00 31.29 31.87 1d8l h VAL 111 CO 0.00 0.35 -0.15 0.11 -1.01 0.00 0.00 177.57 176.86 1d8l h LYS 112 N 0.00 0.62 -6.73 4.17 1.57 -1.70 -3.46 116.57 111.04 1d8l h LYS 112 Ca -0.01 -0.21 -0.50 0.00 -1.87 0.00 0.00 60.65 58.06 1d8l h LYS 112 Cb 1.30 -0.05 0.22 0.00 0.08 0.00 0.00 32.23 33.78 1d8l h LYS 112 CO 0.05 0.75 -0.82 1.28 -0.57 0.00 0.00 179.45 180.14 1d8l n LEU 113 N -4.16 -1.22 -4.67 2.94 4.77 -1.24 -4.89 117.00 108.54 1d8l n LEU 113 Ca 0.01 0.13 -0.41 0.00 -0.03 0.00 0.00 56.01 55.71 1d8l n LEU 113 Cb 0.37 -1.09 0.02 0.00 -2.33 0.00 0.00 43.42 40.38 1d8l n LEU 113 CO 0.42 -3.43 0.77 -0.81 -1.33 0.00 0.00 177.39 173.01 1d8l n PRO 114 N -1.79 1.67 0.00 3.23 -0.04 -1.26 -4.21 135.00 132.59 1d8l n PRO 114 Ca 0.04 0.60 0.00 0.00 -0.04 0.00 0.00 63.50 64.10 1d8l n PRO 114 Cb 0.57 -2.27 0.00 0.00 -0.04 0.00 0.00 33.50 31.76 1d8l n PRO 114 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1d8l n GLY 115 N 0.96 0.00 0.00 0.55 0.00 -1.26 -4.78 105.19 100.66 1d8l n GLY 115 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.10 1d8l n GLY 115 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 1d8l n ILE 116 N 0.00 0.00 0.00 -0.61 3.06 -1.26 -5.09 119.36 115.46 1d8l n ILE 116 Ca 0.00 0.32 0.00 0.00 -2.50 0.00 0.00 62.75 60.57 1d8l n ILE 116 Cb 0.00 -1.06 0.00 0.00 0.54 0.00 0.00 39.64 39.12 1d8l n ILE 116 CO 0.00 0.00 0.00 0.61 -2.50 0.00 0.00 176.55 174.66 1d8l n GLY 117 N 2.09 3.98 0.22 4.50 0.00 -1.26 -4.81 105.19 109.90 1d8l n GLY 117 Ca 0.00 -0.50 -0.07 0.00 0.00 0.00 0.00 46.02 45.45 1d8l n GLY 117 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1d8l h LYS 118 N 0.00 0.50 0.00 1.61 6.56 -1.97 1.06 116.57 124.32 1d8l h LYS 118 Ca 0.00 -0.26 -0.21 0.00 -1.06 0.00 0.00 60.65 59.11 1d8l h LYS 118 Cb 0.00 0.01 -0.03 0.00 -0.57 0.00 0.00 32.23 31.64 1d8l h LYS 118 CO 0.00 0.84 -1.17 0.87 -2.06 0.00 0.00 179.45 177.94 1d8l h LYS 119 N 0.40 0.00 0.00 3.15 1.57 -1.99 -3.12 116.57 116.58 1d8l h LYS 119 Ca 0.03 0.00 -0.11 0.00 -1.87 0.00 0.00 60.65 58.70 1d8l h LYS 119 Cb 0.94 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.23 1d8l h LYS 119 CO 0.08 0.71 -0.51 1.79 -0.57 0.00 0.00 179.45 180.95 1d8l h THR 120 N 0.00 1.01 -0.10 -0.16 1.35 -1.80 0.31 112.91 113.52 1d8l h THR 120 Ca -0.10 -2.02 -0.00 0.00 -0.55 0.00 0.00 66.41 63.73 1d8l h THR 120 Cb 1.76 2.22 -0.00 0.00 -1.73 0.00 0.00 68.15 70.40 1d8l h THR 120 CO 0.10 0.50 0.05 0.00 -0.25 0.00 0.00 175.52 175.91 1d8l h ALA 121 N 1.49 0.12 -0.23 6.62 0.00 0.11 0.60 119.26 127.98 1d8l h ALA 121 Ca -0.01 -0.06 0.01 0.00 0.00 0.00 0.00 54.91 54.86 1d8l h ALA 121 Cb 1.18 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.91 1d8l h ALA 121 CO 0.07 -0.33 0.12 0.93 0.00 0.00 0.00 179.25 180.04 1d8l h GLU 122 N 0.05 0.24 -0.38 0.00 4.39 -1.41 -2.59 114.58 114.89 1d8l h GLU 122 Ca 0.03 -0.01 0.07 0.00 0.34 0.00 0.00 59.36 59.79 1d8l h GLU 122 Cb 0.09 -0.06 -0.06 0.00 -0.10 0.00 0.00 28.75 28.62 1d8l h GLU 122 CO -0.00 0.16 -0.03 0.00 -1.16 0.00 0.00 179.01 177.97 1d8l h ARG 123 N 0.25 0.06 0.43 2.33 3.08 0.12 -1.62 114.38 119.04 1d8l h ARG 123 Ca 0.09 -0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.13 1d8l h ARG 123 Cb 0.01 -0.01 -0.03 0.00 0.08 0.00 0.00 29.97 30.02 1d8l h ARG 123 CO -0.06 0.04 -0.50 -0.07 -1.07 0.00 0.00 179.97 178.31 1d8l h LEU 124 N 0.07 -1.41 -0.13 3.04 3.38 0.48 0.18 115.31 120.91 1d8l h LEU 124 Ca 0.18 0.12 0.04 0.00 0.09 0.00 0.00 57.88 58.32 1d8l h LEU 124 Cb 0.27 0.48 -0.07 0.00 0.09 0.00 0.00 40.66 41.43 1d8l h LEU 124 CO -0.34 -0.64 -0.39 0.40 0.09 0.00 0.00 178.44 177.56 1d8l h ILE 125 N -0.95 0.18 0.16 1.22 2.04 -1.28 0.87 117.51 119.75 1d8l h ILE 125 Ca -0.05 0.00 0.01 0.00 1.00 0.00 0.00 64.86 65.82 1d8l h ILE 125 Cb 0.85 0.18 -0.04 0.00 -0.74 0.00 0.00 36.82 37.07 1d8l h ILE 125 CO -0.11 0.00 -0.52 0.58 0.00 0.00 0.00 178.15 178.11 1d8l h VAL 126 N -0.46 0.00 -0.71 1.67 2.07 -1.17 -2.71 116.25 114.93 1d8l h VAL 126 Ca 0.08 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.58 1d8l h VAL 126 Cb 0.61 0.00 -0.03 0.00 -1.52 0.00 0.00 31.29 30.34 1d8l h VAL 126 CO -0.39 0.00 0.38 -0.08 0.02 0.00 0.00 177.57 177.50 1d8l h GLU 127 N -0.76 1.00 -0.66 1.57 4.81 -0.20 -3.23 114.58 117.11 1d8l h GLU 127 Ca -0.01 -0.13 -0.03 0.00 -0.13 0.00 0.00 59.36 59.06 1d8l h GLU 127 Cb 0.75 -0.19 -0.03 0.00 0.63 0.00 0.00 28.75 29.91 1d8l h GLU 127 CO -0.26 0.76 0.28 0.52 -0.73 0.00 0.00 179.01 179.59 1d8l h MET 128 N 0.99 0.97 -0.83 1.92 2.86 0.85 -3.20 114.93 118.49 1d8l h MET 128 Ca 0.25 -0.16 0.02 0.00 -2.06 0.00 0.00 59.70 57.75 1d8l h MET 128 Cb 0.06 -0.16 -0.04 0.00 0.06 0.00 0.00 31.60 31.51 1d8l h MET 128 CO -0.04 0.80 0.55 1.57 1.06 0.00 0.00 176.91 180.84 1d8l h LYS 129 N 0.92 1.04 -0.43 1.72 2.10 -1.50 -1.62 116.57 118.80 1d8l h LYS 129 Ca 0.22 -0.06 0.03 0.00 -2.00 0.00 0.00 60.65 58.84 1d8l h LYS 129 Cb 0.17 -0.23 -0.04 0.00 -0.90 0.00 0.00 32.23 31.23 1d8l h LYS 129 CO -0.02 0.69 0.22 -0.44 -2.00 0.00 0.00 179.45 177.90 1d8l h ASP 130 N 1.07 0.33 0.69 7.07 3.45 -1.66 -2.74 116.42 124.63 1d8l h ASP 130 Ca 0.32 0.02 -0.10 0.00 0.43 0.00 0.00 57.03 57.69 1d8l h ASP 130 Cb -0.04 -0.04 -0.01 0.00 -0.56 0.00 0.00 39.33 38.67 1d8l h ASP 130 CO -0.08 0.24 -0.49 0.03 -1.57 0.00 0.00 179.24 177.36 1d8l h ARG 131 N 0.45 0.00 0.00 3.56 3.08 -1.54 -3.29 114.38 116.63 1d8l h ARG 131 Ca 0.18 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.22 1d8l h ARG 131 Cb 0.08 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.13 1d8l h ARG 131 CO -0.12 0.49 -0.08 0.74 -1.07 0.00 0.00 179.97 179.93 1d8l h PHE 132 N 0.00 0.00 -0.19 3.04 -1.00 -0.98 -2.70 116.94 115.11 1d8l h PHE 132 Ca -0.00 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.78 1d8l h PHE 132 Cb 0.97 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.53 1d8l h PHE 132 CO 0.00 0.08 0.00 0.36 -1.61 0.00 0.00 178.31 177.14 1d8l n LYS 133 N -3.40 1.67 -3.01 1.51 -0.00 -1.24 -4.26 118.16 109.42 1d8l n LYS 133 Ca -0.01 -1.02 -0.26 0.00 -0.00 0.00 0.00 58.31 57.02 1d8l n LYS 133 Cb 0.24 -1.35 -0.04 0.00 -0.00 0.00 0.00 35.03 33.87 1d8l n LYS 133 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1d8l n GLY 134 N 1.07 5.29 0.68 2.58 0.00 -1.02 -5.05 105.19 108.74 1d8l n GLY 134 Ca 0.15 -2.65 -0.00 0.00 0.00 0.00 0.00 46.02 43.52 1d8l n GLY 134 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1d8l n LEU 135 N -0.07 0.00 -3.64 0.99 0.00 -1.26 -5.07 117.00 107.94 1d8l n LEU 135 Ca 0.30 -0.19 -0.11 0.00 0.00 0.00 0.00 56.01 56.01 1d8l n LEU 135 Cb 0.42 0.43 -0.05 0.00 0.00 0.00 0.00 43.42 44.22 1d8l n LEU 135 CO 0.33 -0.06 0.16 -1.38 0.00 0.00 0.00 177.39 176.44 1d8l s HIS 136 N -4.41 -0.24 0.00 1.96 -3.43 -1.26 -5.13 115.29 102.79 1d8l s HIS 136 Ca 0.04 0.05 0.00 0.00 -0.80 0.00 0.00 55.06 54.35 1d8l s HIS 136 Cb -0.00 0.25 0.00 0.00 -1.43 0.00 0.00 32.58 31.39 1d8l s HIS 136 CO 0.01 -0.65 0.00 0.41 -2.00 0.00 0.00 174.74 172.51 1d8l n GLY 137 N 0.09 2.13 0.26 -1.38 0.00 -1.26 -4.90 105.19 100.14 1d8l n GLY 137 Ca -0.17 -0.96 -0.06 0.00 0.00 0.00 0.00 46.02 44.83 1d8l n GLY 137 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1d8l h ASP 138 N 0.00 0.69 -0.21 1.61 5.19 -1.99 -2.29 116.42 119.42 1d8l h ASP 138 Ca 0.00 -0.22 -0.08 0.00 -0.62 0.00 0.00 57.03 56.11 1d8l h ASP 138 Cb 0.00 -0.19 -0.02 0.00 0.18 0.00 0.00 39.33 39.31 1d8l h ASP 138 CO 0.00 0.87 -0.13 0.25 -3.12 0.00 0.00 179.24 177.12 1d8l h LEU 139 N 0.62 0.59 0.00 1.55 5.85 -1.95 -3.53 115.31 118.43 1d8l h LEU 139 Ca 0.10 -0.16 0.00 0.00 0.84 0.00 0.00 57.88 58.65 1d8l h LEU 139 Cb 0.65 -0.16 0.00 0.00 0.37 0.00 0.00 40.66 41.52 1d8l h LEU 139 CO 0.05 0.74 0.00 0.33 -0.34 0.00 0.00 178.44 179.22