#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1a0l s VAL 17 N 0.00 4.18 0.00 1.39 1.01 0.33 -4.52 120.40 122.79 1a0l s VAL 17 Ca 0.00 1.41 0.00 0.00 0.00 0.00 0.00 61.98 63.39 1a0l s VAL 17 Cb 0.00 -3.99 0.00 0.00 0.00 0.00 0.00 36.38 32.39 1a0l s VAL 17 CO 0.00 -0.21 0.00 0.61 0.00 0.00 0.00 175.10 175.50 1a0l n GLY 18 N 3.84 -0.67 1.36 4.51 0.00 -1.25 -1.78 105.19 111.19 1a0l n GLY 18 Ca 0.14 -1.53 0.18 0.00 0.00 0.00 0.00 46.02 44.81 1a0l n GLY 18 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1a0l n GLY 19 N 0.00 -1.84 2.36 -0.02 0.00 -1.26 -4.89 105.19 99.54 1a0l n GLY 19 Ca 0.00 -1.05 -0.17 0.00 0.00 0.00 0.00 46.02 44.80 1a0l n GLY 19 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1a0l n GLN 20 N -4.01 0.63 -2.56 1.61 10.64 -0.37 -4.89 117.38 118.43 1a0l n GLN 20 Ca 0.00 -2.43 -0.42 0.00 -1.83 0.00 0.00 57.00 52.32 1a0l n GLN 20 Cb 0.66 1.41 -0.03 0.00 -0.86 0.00 0.00 30.24 31.42 1a0l n GLN 20 CO 0.00 0.00 0.00 -2.00 -1.83 0.00 0.00 177.06 173.23 1a0l s GLU 21 N -3.08 4.40 0.26 2.61 2.12 -1.26 -0.16 118.70 123.58 1a0l s GLU 21 Ca 0.16 1.55 -0.29 0.00 0.36 0.00 0.00 54.97 56.75 1a0l s GLU 21 Cb 0.01 -3.53 -0.09 0.00 0.26 0.00 0.00 34.13 30.77 1a0l s GLU 21 CO 0.12 -0.36 1.19 0.00 -0.54 0.00 0.00 175.26 175.67 1a0l s ALA 22 N 1.99 3.45 0.62 6.30 0.00 0.85 -4.85 121.76 130.12 1a0l s ALA 22 Ca 0.53 1.01 -0.18 0.00 0.00 0.00 0.00 51.96 53.33 1a0l s ALA 22 Cb -0.22 -3.40 -0.05 0.00 0.00 0.00 0.00 23.12 19.45 1a0l s ALA 22 CO 0.21 -0.36 0.79 -2.30 0.00 0.00 0.00 175.76 174.10 1a0l n PRO 23 N 1.56 0.66 0.00 0.00 -0.02 -1.26 -4.79 135.00 131.15 1a0l n PRO 23 Ca 0.01 0.27 0.01 0.00 -2.02 0.00 0.00 63.50 61.76 1a0l n PRO 23 Cb 0.44 -2.01 0.03 0.00 -0.02 0.00 0.00 33.50 31.95 1a0l n PRO 23 CO 0.00 0.00 0.00 -2.13 1.98 0.00 0.00 175.50 175.35 1a0l n ARG 24 N -0.84 0.11 -1.58 -0.52 0.63 -1.26 -2.06 116.66 111.15 1a0l n ARG 24 Ca 0.13 0.00 -0.01 0.00 -0.92 0.00 0.00 57.85 57.05 1a0l n ARG 24 Cb 0.48 -1.17 0.00 0.00 0.45 0.00 0.00 32.46 32.22 1a0l n ARG 24 CO 0.00 0.00 0.00 -1.13 -2.51 0.00 0.00 177.63 173.99 1a0l n SER 25 N -0.67 0.09 -0.09 6.15 3.41 -1.26 -4.95 113.62 116.30 1a0l n SER 25 Ca 0.01 -2.02 -0.10 0.00 -0.26 0.00 0.00 58.87 56.50 1a0l n SER 25 Cb 0.00 -0.01 -0.16 0.00 -0.26 0.00 0.00 64.21 63.79 1a0l n SER 25 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1a0l n LYS 26 N -0.00 0.68 -3.45 4.33 4.76 -0.87 -4.76 118.16 118.85 1a0l n LYS 26 Ca -0.09 0.02 -0.26 0.00 -2.87 0.00 0.00 58.31 55.11 1a0l n LYS 26 Cb 0.92 -1.55 -0.09 0.00 -1.84 0.00 0.00 35.03 32.47 1a0l n LYS 26 CO 0.00 0.00 0.00 0.91 -1.37 0.00 0.00 177.40 176.94 1a0l n TRP 27 N -2.77 0.84 0.29 2.13 7.02 -1.26 -4.92 117.44 118.77 1a0l n TRP 27 Ca -0.31 -3.72 0.17 0.00 -1.02 0.00 0.00 57.50 52.62 1a0l n TRP 27 Cb 1.14 -0.22 0.97 0.00 -2.42 0.00 0.00 31.31 30.78 1a0l n TRP 27 CO 0.00 0.00 0.00 -1.00 -2.02 0.00 0.00 177.69 174.67 1a0l h PRO 28 N 4.92 0.00 -0.00 -0.99 0.13 -1.85 -1.81 132.00 132.39 1a0l h PRO 28 Ca 0.18 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.31 1a0l h PRO 28 Cb 0.83 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.96 1a0l h PRO 28 CO 0.54 0.00 -0.07 -2.67 -0.23 0.00 0.00 178.00 175.57 1a0l n TRP 29 N -3.66 0.00 -2.29 1.56 2.14 -1.14 -3.09 117.44 110.95 1a0l n TRP 29 Ca -0.02 0.00 -0.38 0.00 2.07 0.00 0.00 57.50 59.16 1a0l n TRP 29 Cb 0.12 -0.14 -0.02 0.00 -0.81 0.00 0.00 31.31 30.46 1a0l n TRP 29 CO 0.00 0.00 0.00 -0.65 2.07 0.00 0.00 177.69 179.11 1a0l s GLN 30 N -2.35 4.10 0.09 -2.67 -1.52 -0.68 -0.86 119.66 115.75 1a0l s GLN 30 Ca 0.33 1.85 -0.10 0.00 -1.95 0.00 0.00 55.36 55.49 1a0l s GLN 30 Cb 0.20 -2.72 0.00 0.00 -0.22 0.00 0.00 33.01 30.28 1a0l s GLN 30 CO 0.44 -0.29 0.22 0.14 -0.25 0.00 0.00 175.29 175.55 1a0l s VAL 31 N -1.39 0.13 -0.11 1.09 -7.23 -0.98 -1.14 120.40 110.77 1a0l s VAL 31 Ca 0.56 -1.06 0.03 0.00 -1.81 0.00 0.00 61.98 59.70 1a0l s VAL 31 Cb -0.31 -1.27 -0.00 0.00 0.56 0.00 0.00 36.38 35.36 1a0l s VAL 31 CO 0.39 -0.59 -0.22 -0.55 -0.31 0.00 0.00 175.10 173.82 1a0l s SER 32 N -2.76 3.22 -0.02 4.85 0.15 0.20 -2.08 113.70 117.26 1a0l s SER 32 Ca 0.03 -0.54 -0.17 0.00 0.70 0.00 0.00 55.95 55.98 1a0l s SER 32 Cb 0.04 -1.44 -0.05 0.00 -1.71 0.00 0.00 66.02 62.85 1a0l s SER 32 CO -0.10 0.15 0.46 -0.76 1.20 0.00 0.00 173.24 174.19 1a0l s LEU 33 N 0.42 4.42 -0.02 3.45 1.43 0.78 -0.58 118.68 128.60 1a0l s LEU 33 Ca -0.16 0.98 0.06 0.00 -1.03 0.00 0.00 54.13 53.97 1a0l s LEU 33 Cb -0.17 -2.68 -0.01 0.00 0.03 0.00 0.00 46.19 43.35 1a0l s LEU 33 CO 0.07 0.21 -0.19 -0.13 0.23 0.00 0.00 176.35 176.54 1a0l s ARG 34 N -0.53 1.57 -0.04 1.70 1.81 0.72 -1.12 118.95 123.06 1a0l s ARG 34 Ca 0.25 -0.68 0.01 0.00 -1.72 0.00 0.00 55.73 53.59 1a0l s ARG 34 Cb -0.17 -1.51 -0.03 0.00 -0.45 0.00 0.00 34.95 32.79 1a0l s ARG 34 CO 0.13 0.40 -0.03 0.08 -0.68 0.00 0.00 175.30 175.21 1a0l s VAL 35 N -0.42 3.97 -0.41 3.52 1.01 -1.01 -1.30 120.40 125.76 1a0l s VAL 35 Ca 0.07 -0.49 -0.28 0.00 0.00 0.00 0.00 61.98 61.27 1a0l s VAL 35 Cb -0.08 -2.69 -0.00 0.00 0.00 0.00 0.00 36.38 33.61 1a0l s VAL 35 CO -0.01 0.51 1.61 -2.28 0.00 0.00 0.00 175.10 174.94 1a0l s HIS 36 N -0.93 2.08 0.00 5.22 2.46 0.99 -2.02 115.29 123.09 1a0l s HIS 36 Ca 0.15 0.64 0.00 0.00 0.47 0.00 0.00 55.06 56.32 1a0l s HIS 36 Cb -0.11 -4.23 0.00 0.00 -0.13 0.00 0.00 32.58 28.11 1a0l s HIS 36 CO 0.05 -2.41 0.00 0.41 -2.47 0.00 0.00 174.74 170.32 1a0l n GLY 37 N 5.30 3.12 0.41 1.59 0.00 -1.26 -4.88 105.19 109.47 1a0l n GLY 37 Ca 0.19 -1.71 0.23 0.00 0.00 0.00 0.00 46.02 44.72 1a0l n GLY 37 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1a0l h PRO 37 N 0.00 0.00 -3.42 1.61 0.11 -2.04 -3.44 132.00 124.82 1a0l h PRO 37 Ca 0.00 0.00 -0.06 0.00 0.11 0.00 0.00 66.00 66.05 1a0l h PRO 37 Cb 0.00 0.00 -0.13 0.00 0.11 0.00 0.00 31.00 30.98 1a0l h PRO 37 CO 0.00 0.00 -0.10 1.52 -0.21 0.00 0.00 178.00 179.21 1a0l s TYR 37 N -4.93 -0.17 -0.93 0.65 1.13 -1.26 -5.07 117.35 106.76 1a0l s TYR 37 Ca -0.05 -0.14 -0.25 0.00 -1.41 0.00 0.00 57.07 55.22 1a0l s TYR 37 Cb 0.19 0.23 -0.08 0.00 -1.10 0.00 0.00 41.96 41.21 1a0l s TYR 37 CO 0.71 -0.68 2.03 -1.58 -2.51 0.00 0.00 175.55 173.52 1a0l s TRP 38 N -3.76 1.69 0.06 -3.49 0.52 -1.26 -4.64 118.94 108.07 1a0l s TRP 38 Ca 0.03 0.91 -0.22 0.00 0.02 0.00 0.00 56.10 56.83 1a0l s TRP 38 Cb 0.02 -3.90 -0.06 0.00 -1.15 0.00 0.00 33.47 28.37 1a0l s TRP 38 CO -0.12 -1.59 0.67 0.00 0.02 0.00 0.00 176.95 175.94 1a0l s MET 39 N 7.31 4.39 0.15 4.98 0.23 -0.86 -4.72 119.30 130.78 1a0l s MET 39 Ca 0.74 0.91 -0.31 0.00 -1.03 0.00 0.00 55.69 56.00 1a0l s MET 39 Cb -0.07 -3.31 -0.10 0.00 -1.53 0.00 0.00 34.83 29.82 1a0l s MET 39 CO 0.04 0.44 1.68 -1.58 -2.03 0.00 0.00 175.02 173.57 1a0l s HIS 40 N -0.54 2.72 0.00 3.16 2.46 -1.26 -2.40 115.29 119.43 1a0l s HIS 40 Ca 0.34 0.36 0.00 0.00 0.47 0.00 0.00 55.06 56.23 1a0l s HIS 40 Cb -0.20 -4.04 0.00 0.00 -0.13 0.00 0.00 32.58 28.21 1a0l s HIS 40 CO 0.21 -4.04 0.00 1.97 -2.47 0.00 0.00 174.74 170.41 1a0l n PHE 41 N 4.62 0.00 -3.60 3.88 -1.74 -0.27 -4.97 117.46 115.39 1a0l n PHE 41 Ca 0.16 0.00 -0.07 0.00 -0.56 0.00 0.00 57.45 56.98 1a0l n PHE 41 Cb 0.38 0.00 -0.02 0.00 1.52 0.00 0.00 39.48 41.36 1a0l n PHE 41 CO 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 176.76 176.20 1a0l s GLY 43 N -2.67 2.26 0.14 0.00 0.00 -0.71 -0.15 107.32 106.18 1a0l s GLY 43 Ca 0.08 -2.01 -0.06 0.00 0.00 0.00 0.00 44.72 42.73 1a0l s GLY 43 CO -0.05 -1.82 0.33 0.61 0.00 0.00 0.00 173.10 172.17 1a0l n GLY 44 N -1.38 1.47 3.01 0.20 0.00 -0.88 -2.69 105.19 104.92 1a0l n GLY 44 Ca 0.01 -1.09 -0.10 0.00 0.00 0.00 0.00 46.02 44.84 1a0l n GLY 44 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1a0l s SER 45 N -1.84 0.14 -0.54 1.61 1.04 -0.83 -2.33 113.70 110.96 1a0l s SER 45 Ca 0.07 -0.34 -0.24 0.00 0.48 0.00 0.00 55.95 55.92 1a0l s SER 45 Cb -0.02 0.13 0.04 0.00 0.10 0.00 0.00 66.02 66.28 1a0l s SER 45 CO 0.04 -0.29 0.91 -0.22 0.98 0.00 0.00 173.24 174.66 1a0l s LEU 46 N -1.26 4.18 0.00 2.42 2.96 -0.04 -1.32 118.68 125.63 1a0l s LEU 46 Ca -0.14 -0.38 0.24 0.00 -0.22 0.00 0.00 54.13 53.64 1a0l s LEU 46 Cb -0.08 -2.81 0.27 0.00 0.50 0.00 0.00 46.19 44.07 1a0l s LEU 46 CO -0.00 -1.18 1.31 2.30 -1.32 0.00 0.00 176.35 177.45 1a0l n ILE 47 N 6.15 0.00 -3.63 6.68 -5.35 -1.16 -1.60 119.36 120.44 1a0l n ILE 47 Ca 0.01 -0.48 -0.06 0.00 -0.27 0.00 0.00 62.75 61.96 1a0l n ILE 47 Cb 0.47 1.40 -0.06 0.00 -1.74 0.00 0.00 39.64 39.71 1a0l n ILE 47 CO 0.00 0.00 0.00 -2.28 -1.76 0.00 0.00 176.55 172.51 1a0l s HIS 48 N -2.00 -0.22 -0.70 4.28 5.04 -1.24 -4.77 115.29 115.68 1a0l s HIS 48 Ca 0.29 0.49 0.00 0.00 -1.54 0.00 0.00 55.06 54.30 1a0l s HIS 48 Cb 0.20 0.45 0.00 0.00 0.04 0.00 0.00 32.58 33.27 1a0l s HIS 48 CO 0.30 -0.13 0.36 -2.30 -2.34 0.00 0.00 174.74 170.63 1a0l n PRO 49 N 1.48 0.00 0.00 2.88 -0.02 -1.26 -1.10 135.00 136.98 1a0l n PRO 49 Ca -0.09 0.06 0.00 0.00 -2.02 0.00 0.00 63.50 61.45 1a0l n PRO 49 Cb 0.57 -1.59 0.00 0.00 -0.02 0.00 0.00 33.50 32.46 1a0l n PRO 49 CO 0.00 0.00 0.00 0.94 1.98 0.00 0.00 175.50 178.42 1a0l n GLN 50 N -0.86 0.00 -4.07 -0.52 7.27 -1.26 -1.03 117.38 116.91 1a0l n GLN 50 Ca 0.00 -0.41 -0.14 0.00 0.07 0.00 0.00 57.00 56.52 1a0l n GLN 50 Cb 0.09 -0.48 -0.13 0.00 2.41 0.00 0.00 30.24 32.13 1a0l n GLN 50 CO 0.00 0.00 0.00 -1.58 0.07 0.00 0.00 177.06 175.55 1a0l s TRP 51 N 0.00 0.47 -0.04 3.69 0.52 -0.26 -0.51 118.94 122.81 1a0l s TRP 51 Ca 0.00 -0.27 0.06 0.00 0.02 0.00 0.00 56.10 55.90 1a0l s TRP 51 Cb 0.00 -0.29 -0.01 0.00 -1.15 0.00 0.00 33.47 32.02 1a0l s TRP 51 CO 0.00 -0.05 -0.21 0.08 0.02 0.00 0.00 176.95 176.79 1a0l s VAL 52 N -0.70 1.68 -0.12 4.03 1.01 0.63 -2.99 120.40 123.93 1a0l s VAL 52 Ca -0.04 -0.88 -0.05 0.00 0.00 0.00 0.00 61.98 61.00 1a0l s VAL 52 Cb -0.05 -1.42 -0.04 0.00 0.00 0.00 0.00 36.38 34.87 1a0l s VAL 52 CO -0.00 0.47 0.09 -0.22 0.00 0.00 0.00 175.10 175.44 1a0l s LEU 53 N -0.22 4.09 0.26 3.92 2.96 -0.43 -0.46 118.68 128.78 1a0l s LEU 53 Ca 0.01 0.33 -0.19 0.00 -0.22 0.00 0.00 54.13 54.06 1a0l s LEU 53 Cb -0.11 -1.98 0.02 0.00 0.50 0.00 0.00 46.19 44.62 1a0l s LEU 53 CO 0.01 0.38 0.64 0.28 -1.32 0.00 0.00 176.35 176.34 1a0l s THR 54 N -0.85 0.00 0.22 3.68 -1.32 -0.54 -1.96 115.64 114.87 1a0l s THR 54 Ca 0.13 -1.01 -0.30 0.00 -1.21 0.00 0.00 61.69 59.31 1a0l s THR 54 Cb -0.12 -1.94 -0.09 0.00 -1.51 0.00 0.00 72.50 68.85 1a0l s THR 54 CO 0.03 -0.01 1.19 0.00 -2.21 0.00 0.00 174.62 173.61 1a0l s ALA 55 N -3.93 3.44 0.17 11.08 0.00 -1.26 -0.94 121.76 130.32 1a0l s ALA 55 Ca 0.13 0.97 -0.14 0.00 0.00 0.00 0.00 51.96 52.91 1a0l s ALA 55 Cb -0.04 -3.40 0.08 0.00 0.00 0.00 0.00 23.12 19.76 1a0l s ALA 55 CO 0.05 -0.35 1.81 0.00 0.00 0.00 0.00 175.76 177.27 1a0l h ALA 56 N 4.79 0.62 0.00 0.00 0.00 -1.74 -2.22 119.26 120.71 1a0l h ALA 56 Ca -0.45 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.45 1a0l h ALA 56 Cb 1.21 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.87 1a0l h ALA 56 CO 0.72 -0.02 0.32 1.12 0.00 0.00 0.00 179.25 181.40 1a0l h HIS 57 N 0.58 0.00 0.00 0.00 2.07 -1.90 0.42 115.15 116.32 1a0l h HIS 57 Ca 0.19 0.00 -0.14 0.00 -2.85 0.00 0.00 60.37 57.58 1a0l h HIS 57 Cb 0.02 0.00 -0.02 0.00 2.57 0.00 0.00 27.41 29.98 1a0l h HIS 57 CO -0.07 0.00 -0.65 0.00 -3.07 0.00 0.00 177.93 174.14 1a0l n VAL 59 N -3.73 1.13 -3.03 0.00 0.24 0.13 -5.04 118.33 108.04 1a0l n VAL 59 Ca -0.01 -1.28 0.00 0.00 -2.04 0.00 0.00 64.34 61.01 1a0l n VAL 59 Cb 0.65 0.27 0.00 0.00 -1.47 0.00 0.00 33.84 33.29 1a0l n VAL 59 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1a0l n GLY 60 N -0.76 2.31 0.11 7.63 0.00 -0.20 -4.45 105.19 109.83 1a0l n GLY 60 Ca 0.06 -1.06 0.12 0.00 0.00 0.00 0.00 46.02 45.14 1a0l n GLY 60 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1a0l n PRO 60 N 0.00 0.22 -2.40 1.61 -0.04 -1.26 -4.56 135.00 128.57 1a0l n PRO 60 Ca 0.00 0.30 -0.42 0.00 -0.04 0.00 0.00 63.50 63.33 1a0l n PRO 60 Cb 0.00 -1.82 -0.03 0.00 -0.04 0.00 0.00 33.50 31.61 1a0l n PRO 60 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1a0l s ASP 60 N -4.34 7.04 0.20 3.54 1.01 -1.26 -4.96 116.67 117.91 1a0l s ASP 60 Ca 0.08 1.99 -0.32 0.00 0.71 0.00 0.00 52.55 55.00 1a0l s ASP 60 Cb 0.11 -2.57 -0.14 0.00 1.01 0.00 0.00 42.92 41.33 1a0l s ASP 60 CO 0.50 -0.53 1.40 0.52 0.21 0.00 0.00 175.17 177.27 1a0l n VAL 60 N 4.19 0.69 -4.14 -1.27 0.31 -1.26 -5.00 118.33 111.83 1a0l n VAL 60 Ca 0.10 -0.17 -0.25 0.00 -0.01 0.00 0.00 64.34 64.01 1a0l n VAL 60 Cb 0.46 -1.36 -0.06 0.00 -0.91 0.00 0.00 33.84 31.97 1a0l n VAL 60 CO 0.00 0.00 0.00 -0.54 -1.32 0.00 0.00 176.83 174.97 1a0l s LYS 60 N -0.08 2.73 -0.27 5.55 -0.14 -1.26 -5.08 119.74 121.18 1a0l s LYS 60 Ca 0.72 -1.04 -0.12 0.00 -1.36 0.00 0.00 55.97 54.17 1a0l s LYS 60 Cb -0.70 -2.50 -0.05 0.00 -1.68 0.00 0.00 37.83 32.90 1a0l s LYS 60 CO 0.47 0.44 0.24 0.34 -0.76 0.00 0.00 175.35 176.08 1a0l s ASP 60 N -3.37 6.09 0.58 2.83 2.15 -1.26 -4.97 116.67 118.72 1a0l s ASP 60 Ca 0.31 0.08 0.27 0.00 0.43 0.00 0.00 52.55 53.64 1a0l s ASP 60 Cb -0.09 -2.14 1.62 0.00 -0.30 0.00 0.00 42.92 42.01 1a0l s ASP 60 CO 0.22 -0.08 2.12 -0.07 -0.17 0.00 0.00 175.17 177.20 1a0l h LEU 61 N 8.36 0.00 -1.27 -1.34 4.07 -1.93 -1.07 115.31 122.13 1a0l h LEU 61 Ca -0.34 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.62 1a0l h LEU 61 Cb 1.18 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.92 1a0l h LEU 61 CO 0.58 0.00 0.00 0.00 -1.08 0.00 0.00 178.44 177.94 1a0l h ALA 62 N 1.83 1.00 0.00 1.53 0.00 -1.93 -2.50 119.26 119.20 1a0l h ALA 62 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.99 1a0l h ALA 62 Cb 0.39 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.18 1a0l h ALA 62 CO -0.00 0.00 -1.06 0.00 0.00 0.00 0.00 179.25 178.18 1a0l n ALA 63 N -1.87 4.30 -2.86 0.00 0.00 -0.41 -4.93 120.51 114.75 1a0l n ALA 63 Ca 0.00 -0.54 -0.26 0.00 0.00 0.00 0.00 53.44 52.64 1a0l n ALA 63 Cb 0.18 -0.71 -0.04 0.00 0.00 0.00 0.00 19.45 18.88 1a0l n ALA 63 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 1a0l s LEU 64 N -3.13 4.03 -0.22 0.00 0.20 -0.94 -0.01 118.68 118.60 1a0l s LEU 64 Ca 0.05 -0.01 -0.27 0.00 0.69 0.00 0.00 54.13 54.60 1a0l s LEU 64 Cb 0.14 -2.62 0.09 0.00 -0.43 0.00 0.00 46.19 43.38 1a0l s LEU 64 CO 0.81 0.06 0.84 -0.60 -0.29 0.00 0.00 176.35 177.17 1a0l s ARG 65 N -3.19 0.74 -0.21 1.98 3.52 -0.42 -4.56 118.95 116.81 1a0l s ARG 65 Ca 0.32 0.64 -0.08 0.00 -0.13 0.00 0.00 55.73 56.49 1a0l s ARG 65 Cb -0.10 0.36 -0.04 0.00 -1.56 0.00 0.00 34.95 33.61 1a0l s ARG 65 CO 0.26 -0.14 0.07 0.08 -0.81 0.00 0.00 175.30 174.76 1a0l s VAL 66 N -0.12 4.66 -0.15 7.11 1.01 0.40 -0.20 120.40 133.12 1a0l s VAL 66 Ca -0.01 -0.07 -0.05 0.00 0.00 0.00 0.00 61.98 61.85 1a0l s VAL 66 Cb -0.04 -3.14 -0.03 0.00 0.00 0.00 0.00 36.38 33.17 1a0l s VAL 66 CO 0.00 0.40 0.01 -1.58 0.00 0.00 0.00 175.10 173.94 1a0l s GLN 67 N 0.91 3.66 1.07 2.72 2.00 0.26 -0.93 119.66 129.34 1a0l s GLN 67 Ca 0.04 -0.42 -0.18 0.00 -2.00 0.00 0.00 55.36 52.80 1a0l s GLN 67 Cb -0.14 -3.01 0.24 0.00 0.80 0.00 0.00 33.01 30.90 1a0l s GLN 67 CO 0.03 0.36 1.25 -0.51 -0.50 0.00 0.00 175.29 175.91 1a0l s LEU 68 N 0.09 1.92 -0.03 3.68 1.43 -1.26 -0.63 118.68 123.87 1a0l s LEU 68 Ca 0.02 0.36 -0.38 0.00 -1.03 0.00 0.00 54.13 53.11 1a0l s LEU 68 Cb -0.13 -2.24 -0.16 0.00 0.03 0.00 0.00 46.19 43.69 1a0l s LEU 68 CO 0.02 -3.35 1.49 -1.14 0.23 0.00 0.00 176.35 173.60 1a0l n ARG 69 N -4.20 1.21 -3.74 1.70 0.00 -0.29 -4.57 116.66 106.77 1a0l n ARG 69 Ca 0.15 0.44 -0.12 0.00 -0.00 0.00 0.00 57.85 58.32 1a0l n ARG 69 Cb 0.59 -2.11 -0.12 0.00 0.00 0.00 0.00 32.46 30.83 1a0l n ARG 69 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.63 175.80 1a0l s GLU 70 N 1.57 0.28 0.34 -0.14 -1.05 -1.26 -5.04 118.70 113.41 1a0l s GLU 70 Ca 0.89 0.51 0.03 0.00 -0.15 0.00 0.00 54.97 56.25 1a0l s GLU 70 Cb -0.97 0.01 0.62 0.00 -0.44 0.00 0.00 34.13 33.34 1a0l s GLU 70 CO 0.53 -0.11 1.97 0.37 0.95 0.00 0.00 175.26 178.96 1a0l h GLN 71 N 6.58 0.87 -4.36 -4.83 5.75 -1.93 -3.42 115.11 113.78 1a0l h GLN 71 Ca -0.34 -0.05 -0.54 0.00 -0.15 0.00 0.00 58.65 57.56 1a0l h GLN 71 Cb 1.17 -0.20 -0.36 0.00 1.07 0.00 0.00 27.48 29.16 1a0l h GLN 71 CO 0.34 0.58 -0.81 -1.01 -2.65 0.00 0.00 178.83 175.28 1a0l s HIS 72 N -5.77 1.64 0.51 3.99 3.76 -1.26 -2.00 115.29 116.15 1a0l s HIS 72 Ca -0.10 -0.84 0.32 0.00 -0.15 0.00 0.00 55.06 54.29 1a0l s HIS 72 Cb 0.19 -1.31 1.11 0.00 1.11 0.00 0.00 32.58 33.68 1a0l s HIS 72 CO 0.78 -0.53 1.22 1.28 -0.85 0.00 0.00 174.74 176.64 1a0l n LEU 73 N 4.81 0.00 0.00 0.89 4.77 -0.59 -2.86 117.00 124.02 1a0l n LEU 73 Ca -0.14 0.75 0.00 0.00 -0.03 0.00 0.00 56.01 56.58 1a0l n LEU 73 Cb 0.50 -0.32 0.00 0.00 -2.33 0.00 0.00 43.42 41.28 1a0l n LEU 73 CO 0.18 -0.75 0.00 -1.22 -1.33 0.00 0.00 177.39 174.28 1a0l n TYR 74 N -3.28 0.00 0.03 -1.77 4.01 -1.26 -4.94 117.16 109.95 1a0l n TYR 74 Ca 0.28 0.00 -0.12 0.00 -0.16 0.00 0.00 57.90 57.91 1a0l n TYR 74 Cb 1.52 0.00 -0.07 0.00 -0.31 0.00 0.00 39.34 40.48 1a0l n TYR 74 CO 0.00 0.00 0.00 1.88 -0.46 0.00 0.00 176.86 178.28 1a0l h TYR 75 N 0.00 0.03 -2.14 -0.72 0.05 -1.89 -3.31 116.97 108.99 1a0l h TYR 75 Ca 0.00 0.00 -0.55 0.00 0.05 0.00 0.00 58.73 58.23 1a0l h TYR 75 Cb 0.41 -0.01 -0.41 0.00 1.01 0.00 0.00 36.73 37.73 1a0l h TYR 75 CO 0.00 0.04 -0.87 1.04 -1.05 0.00 0.00 178.16 177.33 1a0l n GLN 79 N -5.06 2.06 -1.68 4.88 1.13 -1.26 -5.09 117.38 112.36 1a0l n GLN 79 Ca -0.07 -4.15 -0.36 0.00 -1.94 0.00 0.00 57.00 50.49 1a0l n GLN 79 Cb 0.04 -1.93 0.07 0.00 0.11 0.00 0.00 30.24 28.53 1a0l n GLN 79 CO 0.00 0.00 0.00 -0.51 -1.44 0.00 0.00 177.06 175.11 1a0l s ASP 80 N -2.65 4.53 -0.49 1.08 1.11 -1.25 -5.00 116.67 114.00 1a0l s ASP 80 Ca 0.43 2.53 0.06 0.00 0.18 0.00 0.00 52.55 55.75 1a0l s ASP 80 Cb 0.26 -2.61 0.22 0.00 1.07 0.00 0.00 42.92 41.86 1a0l s ASP 80 CO -0.09 -2.05 0.77 1.67 1.18 0.00 0.00 175.17 176.65 1a0l n GLN 81 N -2.11 0.64 -2.22 8.23 7.27 -1.26 -5.14 117.38 122.79 1a0l n GLN 81 Ca 0.15 -2.02 -0.42 0.00 0.07 0.00 0.00 57.00 54.78 1a0l n GLN 81 Cb 0.49 -1.47 -0.03 0.00 2.41 0.00 0.00 30.24 31.64 1a0l n GLN 81 CO 0.00 0.00 0.00 -0.51 0.07 0.00 0.00 177.06 176.62 1a0l s LEU 82 N -0.03 4.40 -0.08 1.69 1.02 -1.26 -4.47 118.68 119.94 1a0l s LEU 82 Ca 0.31 2.35 0.01 0.00 0.02 0.00 0.00 54.13 56.83 1a0l s LEU 82 Cb 0.12 -3.60 -0.02 0.00 0.02 0.00 0.00 46.19 42.70 1a0l s LEU 82 CO -0.16 -0.55 -0.11 -0.76 0.02 0.00 0.00 176.35 174.80 1a0l s LEU 83 N 0.27 2.90 0.54 1.79 1.43 -0.10 -4.94 118.68 120.57 1a0l s LEU 83 Ca 0.59 -0.17 -0.11 0.00 -1.03 0.00 0.00 54.13 53.41 1a0l s LEU 83 Cb -0.36 -1.63 -0.05 0.00 0.03 0.00 0.00 46.19 44.18 1a0l s LEU 83 CO 0.35 0.29 0.93 -2.16 0.23 0.00 0.00 176.35 176.00 1a0l s PRO 84 N -0.39 3.68 -0.03 1.29 0.04 -1.26 -0.45 135.00 137.88 1a0l s PRO 84 Ca 0.05 0.63 -0.02 0.00 0.04 0.00 0.00 61.00 61.70 1a0l s PRO 84 Cb -0.12 -2.20 -0.04 0.00 0.04 0.00 0.00 34.50 32.18 1a0l s PRO 84 CO 0.02 -0.36 0.11 0.14 0.04 0.00 0.00 177.00 176.96 1a0l s VAL 85 N -2.86 5.00 -0.14 -0.36 -7.23 -1.26 -2.14 120.40 111.41 1a0l s VAL 85 Ca 0.54 -0.25 0.15 0.00 -1.81 0.00 0.00 61.98 60.61 1a0l s VAL 85 Cb -0.11 -3.28 -0.24 0.00 0.56 0.00 0.00 36.38 33.32 1a0l s VAL 85 CO 0.44 0.40 0.31 -0.24 -0.31 0.00 0.00 175.10 175.70 1a0l n SER 86 N 1.29 0.45 -3.52 4.85 2.88 0.94 -4.73 113.62 115.78 1a0l n SER 86 Ca -0.14 0.17 -0.17 0.00 -1.33 0.00 0.00 58.87 57.40 1a0l n SER 86 Cb 0.53 0.49 -0.06 0.00 -0.75 0.00 0.00 64.21 64.42 1a0l n SER 86 CO 0.00 0.00 0.00 -0.60 -1.23 0.00 0.00 175.04 173.21 1a0l s ARG 87 N -2.54 1.05 -0.11 -1.46 3.52 -1.16 -4.98 118.95 113.26 1a0l s ARG 87 Ca -0.09 0.23 0.01 0.00 -0.13 0.00 0.00 55.73 55.75 1a0l s ARG 87 Cb 0.07 0.49 0.02 0.00 -1.56 0.00 0.00 34.95 33.97 1a0l s ARG 87 CO 0.82 -0.33 -0.13 0.42 -0.81 0.00 0.00 175.30 175.27 1a0l s ILE 88 N -1.28 1.37 -0.32 4.11 1.01 -1.26 -0.24 121.20 124.60 1a0l s ILE 88 Ca -0.10 -0.55 0.03 0.00 0.00 0.00 0.00 60.65 60.03 1a0l s ILE 88 Cb -0.00 -1.28 0.08 0.00 0.01 0.00 0.00 42.46 41.27 1a0l s ILE 88 CO 0.09 0.42 0.00 -0.63 0.00 0.00 0.00 174.94 174.82 1a0l s ILE 89 N 1.17 2.35 -0.10 2.92 1.01 0.72 -4.97 121.20 124.30 1a0l s ILE 89 Ca -0.03 -2.03 -0.17 0.00 0.00 0.00 0.00 60.65 58.42 1a0l s ILE 89 Cb -0.14 -2.59 -0.05 0.00 0.01 0.00 0.00 42.46 39.69 1a0l s ILE 89 CO -0.04 -0.38 0.44 -0.69 0.00 0.00 0.00 174.94 174.27 1a0l s VAL 90 N 1.01 5.16 0.11 2.92 1.01 -1.26 -1.06 120.40 128.28 1a0l s VAL 90 Ca 0.03 0.87 -0.32 0.00 0.00 0.00 0.00 61.98 62.57 1a0l s VAL 90 Cb -0.20 -3.77 -0.11 0.00 0.00 0.00 0.00 36.38 32.30 1a0l s VAL 90 CO -0.06 0.39 1.80 1.57 0.00 0.00 0.00 175.10 178.80 1a0l n HIS 91 N 3.24 2.54 0.28 5.22 -0.00 -0.95 -4.85 115.22 120.71 1a0l n HIS 91 Ca -0.09 -0.06 0.18 0.00 0.46 0.00 0.00 57.72 58.20 1a0l n HIS 91 Cb 0.52 -2.69 0.90 0.00 -0.12 0.00 0.00 29.99 28.60 1a0l n HIS 91 CO 0.00 0.00 0.00 -1.00 0.46 0.00 0.00 176.34 175.80 1a0l h PRO 92 N 8.19 0.00 0.00 1.57 0.13 -1.93 -1.85 132.00 138.12 1a0l h PRO 92 Ca -0.46 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 1a0l h PRO 92 Cb 1.23 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.36 1a0l h PRO 92 CO 0.94 0.00 -0.11 1.04 -0.23 0.00 0.00 178.00 179.64 1a0l n GLN 93 N -3.23 0.04 -2.44 0.86 6.02 -1.26 -4.88 117.38 112.50 1a0l n GLN 93 Ca -0.00 0.03 -0.39 0.00 -0.01 0.00 0.00 57.00 56.62 1a0l n GLN 93 Cb 0.32 -1.54 -0.04 0.00 1.02 0.00 0.00 30.24 30.01 1a0l n GLN 93 CO 0.00 0.00 0.00 0.12 -1.01 0.00 0.00 177.06 176.17 1a0l s PHE 94 N -3.02 3.40 0.00 1.08 5.36 -0.70 -4.81 117.98 119.29 1a0l s PHE 94 Ca 0.13 1.65 0.00 0.00 -0.96 0.00 0.00 56.93 57.75 1a0l s PHE 94 Cb 0.18 -3.30 0.00 0.00 -0.34 0.00 0.00 43.02 39.56 1a0l s PHE 94 CO 0.58 -0.77 0.00 0.98 -1.46 0.00 0.00 175.22 174.54 1a0l n TYR 95 N 0.73 -0.05 -3.89 10.12 9.36 -1.26 -4.89 117.16 127.27 1a0l n TYR 95 Ca 0.01 0.00 -0.11 0.00 3.32 0.00 0.00 57.90 61.12 1a0l n TYR 95 Cb 0.46 0.01 -0.11 0.00 -0.63 0.00 0.00 39.34 39.07 1a0l n TYR 95 CO 0.00 0.00 0.00 0.99 0.22 0.00 0.00 176.86 178.07 1a0l s THR 96 N -1.02 0.06 0.06 2.97 2.01 -1.26 -4.62 115.64 113.84 1a0l s THR 96 Ca 0.00 -0.49 -0.22 0.00 0.31 0.00 0.00 61.69 61.29 1a0l s THR 96 Cb 0.00 -0.28 -0.12 0.00 0.01 0.00 0.00 72.50 72.11 1a0l s THR 96 CO 0.00 -0.27 1.55 0.00 -0.69 0.00 0.00 174.62 175.21 1a0l h ALA 97 N 5.03 0.17 -0.14 7.40 0.00 -1.96 -0.81 119.26 128.93 1a0l h ALA 97 Ca -0.29 -0.14 0.04 0.00 0.00 0.00 0.00 54.91 54.52 1a0l h ALA 97 Cb 1.20 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.94 1a0l h ALA 97 CO 0.42 -0.20 0.12 1.96 0.00 0.00 0.00 179.25 181.56 1a0l h GLN 98 N -0.00 0.00 0.13 0.00 7.50 -1.96 0.52 115.11 121.29 1a0l h GLN 98 Ca 0.04 0.00 -0.27 0.00 0.50 0.00 0.00 58.65 58.92 1a0l h GLN 98 Cb 0.26 0.00 0.00 0.00 0.05 0.00 0.00 27.48 27.80 1a0l h GLN 98 CO 0.00 0.00 -1.25 0.82 -1.50 0.00 0.00 178.83 176.90 1a0l h ILE 99 N 0.00 1.50 0.00 2.54 2.04 -1.87 -3.46 117.51 118.25 1a0l h ILE 99 Ca 0.07 -3.07 0.00 0.00 1.00 0.00 0.00 64.86 62.86 1a0l h ILE 99 Cb 0.31 2.94 0.00 0.00 -0.74 0.00 0.00 36.82 39.33 1a0l h ILE 99 CO -0.00 0.89 0.00 0.61 0.00 0.00 0.00 178.15 179.65 1a0l n GLY 100 N 1.53 0.26 3.44 5.37 0.00 0.17 -5.01 105.19 110.95 1a0l n GLY 100 Ca -0.08 -2.31 -0.25 0.00 0.00 0.00 0.00 46.02 43.38 1a0l n GLY 100 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1a0l n ALA 101 N -0.99 -1.10 -2.48 4.61 0.00 -1.26 -4.53 120.51 114.76 1a0l n ALA 101 Ca 0.00 0.15 -0.39 0.00 0.00 0.00 0.00 53.44 53.20 1a0l n ALA 101 Cb 0.00 -3.44 -0.02 0.00 0.00 0.00 0.00 19.45 15.99 1a0l n ALA 101 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1a0l s ASP 102 N -2.86 6.40 -0.27 0.00 -1.08 -1.26 -4.35 116.67 113.24 1a0l s ASP 102 Ca 0.45 -1.87 -0.24 0.00 -0.52 0.00 0.00 52.55 50.37 1a0l s ASP 102 Cb -0.23 -2.58 0.07 0.00 -1.46 0.00 0.00 42.92 38.73 1a0l s ASP 102 CO 0.55 -1.61 0.71 -0.51 0.52 0.00 0.00 175.17 174.84 1a0l s ILE 103 N 5.65 -0.00 0.11 4.11 2.07 -1.26 -3.98 121.20 127.89 1a0l s ILE 103 Ca 0.54 0.00 -0.15 0.00 -1.41 0.00 0.00 60.65 59.63 1a0l s ILE 103 Cb 0.01 -0.99 0.03 0.00 0.13 0.00 0.00 42.46 41.64 1a0l s ILE 103 CO 0.01 0.00 0.37 0.00 -1.91 0.00 0.00 174.94 173.41 1a0l s ALA 104 N 0.45 -0.82 -0.03 1.50 0.00 -0.12 -2.24 121.76 120.51 1a0l s ALA 104 Ca -0.01 -0.10 0.05 0.00 0.00 0.00 0.00 51.96 51.90 1a0l s ALA 104 Cb -0.05 0.62 -0.01 0.00 0.00 0.00 0.00 23.12 23.68 1a0l s ALA 104 CO -0.00 -0.60 -0.18 -0.51 0.00 0.00 0.00 175.76 174.47 1a0l s LEU 105 N -2.72 1.98 -0.16 0.00 1.43 -0.22 -1.47 118.68 117.52 1a0l s LEU 105 Ca 0.02 -0.34 -0.01 0.00 -1.03 0.00 0.00 54.13 52.77 1a0l s LEU 105 Cb 0.02 -0.94 -0.01 0.00 0.03 0.00 0.00 46.19 45.28 1a0l s LEU 105 CO -0.11 0.19 -0.11 -0.76 0.23 0.00 0.00 176.35 175.79 1a0l s LEU 106 N -0.21 2.77 -0.21 1.79 1.43 0.39 -0.20 118.68 124.44 1a0l s LEU 106 Ca 0.02 -0.34 -0.14 0.00 -1.03 0.00 0.00 54.13 52.64 1a0l s LEU 106 Cb -0.09 -1.65 -0.04 0.00 0.03 0.00 0.00 46.19 44.44 1a0l s LEU 106 CO 0.01 0.11 0.30 -0.70 0.23 0.00 0.00 176.35 176.30 1a0l s GLU 107 N 0.67 4.15 0.50 1.70 2.12 0.67 -0.27 118.70 128.23 1a0l s GLU 107 Ca -0.06 0.02 -0.20 0.00 0.36 0.00 0.00 54.97 55.10 1a0l s GLU 107 Cb -0.15 -3.52 -0.08 0.00 0.26 0.00 0.00 34.13 30.63 1a0l s GLU 107 CO 0.02 0.03 1.04 -0.51 -0.54 0.00 0.00 175.26 175.30 1a0l s LEU 108 N 1.13 3.80 0.37 2.70 1.43 0.33 -0.04 118.68 128.40 1a0l s LEU 108 Ca 0.15 1.91 0.06 0.00 -1.03 0.00 0.00 54.13 55.21 1a0l s LEU 108 Cb -0.14 -4.56 0.72 0.00 0.03 0.00 0.00 46.19 42.24 1a0l s LEU 108 CO 0.06 -0.82 1.95 -0.08 0.23 0.00 0.00 176.35 177.69 1a0l h GLU 109 N 1.42 0.50 -4.14 1.70 4.81 -1.72 -3.40 114.58 113.74 1a0l h GLU 109 Ca -0.49 -0.08 -0.19 0.00 -0.13 0.00 0.00 59.36 58.47 1a0l h GLU 109 Cb 1.22 -0.09 -0.21 0.00 0.63 0.00 0.00 28.75 30.31 1a0l h GLU 109 CO 0.59 0.46 -0.71 -1.21 -0.73 0.00 0.00 179.01 177.41 1a0l s GLU 110 N -5.13 0.39 0.44 1.92 2.02 -1.26 -4.96 118.70 112.12 1a0l s GLU 110 Ca -0.08 -0.70 -0.24 0.00 0.02 0.00 0.00 54.97 53.98 1a0l s GLU 110 Cb 0.16 0.02 -0.08 0.00 0.10 0.00 0.00 34.13 34.33 1a0l s GLU 110 CO 0.75 -0.03 1.16 -2.14 0.02 0.00 0.00 175.26 175.02 1a0l s PRO 111 N -1.69 3.87 0.78 0.39 0.02 -1.26 -4.84 135.00 132.28 1a0l s PRO 111 Ca -0.13 1.77 -0.08 0.00 0.02 0.00 0.00 61.00 62.58 1a0l s PRO 111 Cb -0.09 -2.49 0.11 0.00 0.02 0.00 0.00 34.50 32.05 1a0l s PRO 111 CO -0.01 -0.46 1.10 0.14 -0.33 0.00 0.00 177.00 177.44 1a0l s VAL 112 N -1.52 2.16 -0.61 3.83 -7.23 -0.19 -5.01 120.40 111.83 1a0l s VAL 112 Ca 0.61 -0.25 -0.05 0.00 -1.81 0.00 0.00 61.98 60.48 1a0l s VAL 112 Cb -0.29 -2.91 0.16 0.00 0.56 0.00 0.00 36.38 33.90 1a0l s VAL 112 CO 0.35 0.00 0.45 -0.75 -0.31 0.00 0.00 175.10 174.84 1a0l s LYS 113 N -5.41 2.65 0.64 4.82 2.20 -1.26 -4.99 119.74 118.39 1a0l s LYS 113 Ca 0.65 -2.33 -0.18 0.00 -0.36 0.00 0.00 55.97 53.75 1a0l s LYS 113 Cb -0.08 -3.85 -0.01 0.00 -1.51 0.00 0.00 37.83 32.37 1a0l s LYS 113 CO 0.47 -1.18 1.25 0.14 -0.36 0.00 0.00 175.35 175.66 1a0l s VAL 114 N 0.31 2.31 0.04 4.02 -7.23 -1.26 -4.97 120.40 113.62 1a0l s VAL 114 Ca 0.14 0.19 -0.00 0.00 -1.81 0.00 0.00 61.98 60.50 1a0l s VAL 114 Cb -0.20 -3.03 0.00 0.00 0.56 0.00 0.00 36.38 33.72 1a0l s VAL 114 CO -0.04 -0.05 0.06 -1.54 -0.31 0.00 0.00 175.10 173.23 1a0l n SER 115 N -1.89 -0.18 -0.21 4.85 3.41 0.11 -4.97 113.62 114.74 1a0l n SER 115 Ca 0.15 -1.23 -0.00 0.00 -0.26 0.00 0.00 58.87 57.52 1a0l n SER 115 Cb 0.49 0.33 0.23 0.00 -0.26 0.00 0.00 64.21 65.00 1a0l n SER 115 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 1a0l h SER 116 N 0.25 0.86 0.88 4.04 4.64 -2.01 -3.02 113.55 119.18 1a0l h SER 116 Ca -0.03 -0.05 -0.13 0.00 -0.47 0.00 0.00 61.79 61.11 1a0l h SER 116 Cb 0.15 -0.22 -0.02 0.00 -0.31 0.00 0.00 62.40 62.00 1a0l h SER 116 CO 0.05 0.67 -1.20 0.45 -0.87 0.00 0.00 176.83 175.92 1a0l h HIS 117 N 0.99 0.00 -3.00 4.77 3.86 -1.95 -3.45 115.15 116.38 1a0l h HIS 117 Ca 0.26 0.00 -0.56 0.00 -1.16 0.00 0.00 60.37 58.91 1a0l h HIS 117 Cb -0.03 0.00 -0.40 0.00 1.06 0.00 0.00 27.41 28.04 1a0l h HIS 117 CO 0.00 0.47 -0.77 0.54 0.86 0.00 0.00 177.93 179.03 1a0l s VAL 118 N -3.00 0.46 0.34 2.45 0.11 -1.14 -3.96 120.40 115.66 1a0l s VAL 118 Ca -0.01 -1.10 -0.10 0.00 -2.93 0.00 0.00 61.98 57.83 1a0l s VAL 118 Cb 0.09 -1.36 0.02 0.00 -1.53 0.00 0.00 36.38 33.60 1a0l s VAL 118 CO 0.80 -0.69 0.60 -1.38 -3.33 0.00 0.00 175.10 171.10 1a0l s HIS 119 N 1.83 0.56 0.79 1.54 -3.43 -1.18 0.04 115.29 115.45 1a0l s HIS 119 Ca 0.09 -0.98 -0.11 0.00 -0.80 0.00 0.00 55.06 53.26 1a0l s HIS 119 Cb -0.17 0.33 0.07 0.00 -1.43 0.00 0.00 32.58 31.38 1a0l s HIS 119 CO -0.30 -1.28 1.09 0.95 -2.00 0.00 0.00 174.74 173.20 1a0l s THR 120 N -2.98 3.24 0.31 -5.38 -4.23 -1.26 -2.90 115.64 102.45 1a0l s THR 120 Ca 0.23 0.40 0.08 0.00 -1.18 0.00 0.00 61.69 61.22 1a0l s THR 120 Cb -0.02 -3.00 -0.03 0.00 1.34 0.00 0.00 72.50 70.78 1a0l s THR 120 CO 0.15 -0.53 0.22 0.54 -0.54 0.00 0.00 174.62 174.46 1a0l s VAL 121 N -3.00 3.65 -0.13 2.29 0.11 -0.63 -4.78 120.40 117.91 1a0l s VAL 121 Ca 0.61 -1.48 -0.11 0.00 -2.93 0.00 0.00 61.98 58.07 1a0l s VAL 121 Cb -0.16 -3.17 -0.05 0.00 -1.53 0.00 0.00 36.38 31.47 1a0l s VAL 121 CO 0.56 -0.23 0.23 -0.89 -3.33 0.00 0.00 175.10 171.43 1a0l s THR 122 N -2.29 5.35 -0.01 5.04 2.01 -1.22 -4.75 115.64 119.76 1a0l s THR 122 Ca 0.38 0.41 -0.27 0.00 0.31 0.00 0.00 61.69 62.51 1a0l s THR 122 Cb -0.06 -3.54 -0.04 0.00 0.01 0.00 0.00 72.50 68.88 1a0l s THR 122 CO 0.25 0.50 0.87 -0.76 -0.69 0.00 0.00 174.62 174.78 1a0l s LEU 123 N -0.24 4.37 0.39 4.42 1.43 -1.26 -1.52 118.68 126.26 1a0l s LEU 123 Ca 0.15 1.49 -0.27 0.00 -1.03 0.00 0.00 54.13 54.48 1a0l s LEU 123 Cb -0.13 -3.38 -0.11 0.00 0.03 0.00 0.00 46.19 42.61 1a0l s LEU 123 CO 0.04 -0.17 1.40 -0.81 0.23 0.00 0.00 176.35 177.03 1a0l n PRO 124 N 3.68 2.34 -2.03 1.29 -0.04 -1.26 -4.90 135.00 134.07 1a0l n PRO 124 Ca 0.03 0.83 -0.37 0.00 -0.04 0.00 0.00 63.50 63.94 1a0l n PRO 124 Cb 0.51 -2.54 0.02 0.00 -0.04 0.00 0.00 33.50 31.45 1a0l n PRO 124 CO 0.00 0.00 0.00 -2.14 -0.04 0.00 0.00 175.50 173.32 1a0l s PRO 125 N -2.14 3.24 0.45 0.54 0.02 -1.26 -4.80 135.00 131.04 1a0l s PRO 125 Ca 0.57 1.90 0.32 0.00 0.02 0.00 0.00 61.00 63.81 1a0l s PRO 125 Cb -0.50 -2.14 1.48 0.00 0.02 0.00 0.00 34.50 33.36 1a0l s PRO 125 CO 0.61 -1.01 1.61 0.00 -0.33 0.00 0.00 177.00 177.87 1a0l h ALA 126 N 1.35 2.86 0.26 -1.55 0.00 -1.92 -0.27 119.26 119.99 1a0l h ALA 126 Ca -0.50 0.11 -0.01 0.00 0.00 0.00 0.00 54.91 54.50 1a0l h ALA 126 Cb 1.28 0.22 0.00 0.00 0.00 0.00 0.00 17.79 19.29 1a0l h ALA 126 CO 0.57 -1.51 -0.13 0.77 0.00 0.00 0.00 179.25 178.96 1a0l h SER 127 N 0.05 -0.30 -0.88 0.00 0.02 -1.97 -3.46 113.55 107.01 1a0l h SER 127 Ca 0.85 -0.16 -0.69 0.00 -0.84 0.00 0.00 61.79 60.95 1a0l h SER 127 Cb 2.76 0.08 0.05 0.00 0.14 0.00 0.00 62.40 65.42 1a0l h SER 127 CO -0.40 0.01 0.02 -0.62 -1.14 0.00 0.00 176.83 174.69 1a0l n GLU 128 N -5.13 0.00 -0.05 3.45 -0.58 -0.12 -4.92 120.64 113.30 1a0l n GLU 128 Ca -0.09 0.00 -0.06 0.00 -0.42 0.00 0.00 57.16 56.59 1a0l n GLU 128 Cb 0.24 -1.29 -0.05 0.00 -0.57 0.00 0.00 31.44 29.76 1a0l n GLU 128 CO 0.00 0.00 0.00 0.25 -0.48 0.00 0.00 177.13 176.90 1a0l n THR 129 N 1.23 0.58 -2.18 2.62 -2.24 -1.26 -4.93 114.28 108.09 1a0l n THR 129 Ca 0.17 -0.28 -0.03 0.00 -2.27 0.00 0.00 64.05 61.65 1a0l n THR 129 Cb 0.08 -0.84 0.00 0.00 -2.10 0.00 0.00 70.33 67.48 1a0l n THR 129 CO 0.00 0.00 0.00 0.49 -0.57 0.00 0.00 175.07 174.99 1a0l n PHE 130 N -2.60 -1.90 -1.80 4.78 3.72 -1.26 -5.03 117.46 113.37 1a0l n PHE 130 Ca -0.16 0.79 -0.33 0.00 -0.05 0.00 0.00 57.45 57.69 1a0l n PHE 130 Cb 0.73 -2.84 0.04 0.00 -0.94 0.00 0.00 39.48 36.46 1a0l n PHE 130 CO 0.00 0.00 0.00 -1.25 -0.05 0.00 0.00 176.76 175.46 1a0l s PRO 131 N -1.57 2.88 -0.04 -1.08 0.04 -1.26 -4.89 135.00 129.09 1a0l s PRO 131 Ca 0.09 1.35 -0.35 0.00 0.04 0.00 0.00 61.00 62.13 1a0l s PRO 131 Cb -0.03 -1.96 -0.14 0.00 0.04 0.00 0.00 34.50 32.41 1a0l s PRO 131 CO 0.40 -1.18 1.72 -0.35 0.04 0.00 0.00 177.00 177.63 1a0l n PRO 132 N -2.38 1.87 0.00 0.56 -0.04 -1.26 -1.79 135.00 131.96 1a0l n PRO 132 Ca 0.10 0.68 0.00 0.00 -0.04 0.00 0.00 63.50 64.24 1a0l n PRO 132 Cb 0.52 -2.46 0.00 0.00 -0.04 0.00 0.00 33.50 31.53 1a0l n PRO 132 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1a0l n GLY 133 N 3.89 0.87 3.44 0.55 0.00 -1.22 -4.94 105.19 107.77 1a0l n GLY 133 Ca 0.21 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.78 1a0l n GLY 133 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1a0l n MET 134 N -1.16 0.37 -2.33 1.61 2.81 -0.74 -4.75 117.12 112.93 1a0l n MET 134 Ca 0.00 0.13 -0.42 0.00 -1.81 0.00 0.00 57.70 55.60 1a0l n MET 134 Cb 0.00 -1.25 -0.00 0.00 -0.71 0.00 0.00 33.22 31.25 1a0l n MET 134 CO 0.00 0.00 0.00 -0.35 1.51 0.00 0.00 175.97 177.13 1a0l n PRO 135 N 0.92 3.02 -4.05 0.03 -0.04 -1.26 -4.18 135.00 129.45 1a0l n PRO 135 Ca 0.14 -3.06 -0.29 0.00 -0.04 0.00 0.00 63.50 60.26 1a0l n PRO 135 Cb 0.30 -3.45 -0.06 0.00 -0.04 0.00 0.00 33.50 30.26 1a0l n PRO 135 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1a0l s TRP 137 N -1.55 1.26 0.01 0.00 0.52 -0.35 -1.47 118.94 117.36 1a0l s TRP 137 Ca 0.30 -0.38 0.08 0.00 0.02 0.00 0.00 56.10 56.13 1a0l s TRP 137 Cb -0.11 -0.74 -0.02 0.00 -1.15 0.00 0.00 33.47 31.44 1a0l s TRP 137 CO 0.23 0.05 -0.25 0.08 0.02 0.00 0.00 176.95 177.07 1a0l s VAL 138 N -0.94 2.01 -0.00 4.03 1.01 -0.58 -2.29 120.40 123.63 1a0l s VAL 138 Ca 0.01 -1.19 0.01 0.00 0.00 0.00 0.00 61.98 60.81 1a0l s VAL 138 Cb -0.08 -1.69 -0.00 0.00 0.00 0.00 0.00 36.38 34.60 1a0l s VAL 138 CO 0.02 0.46 -0.05 0.42 0.00 0.00 0.00 175.10 175.95 1a0l s THR 139 N -0.68 0.39 -0.07 3.92 -4.23 -1.24 -1.62 115.64 112.11 1a0l s THR 139 Ca 0.10 -0.20 -0.31 0.00 -1.18 0.00 0.00 61.69 60.10 1a0l s THR 139 Cb -0.10 -0.33 0.12 0.00 1.34 0.00 0.00 72.50 73.53 1a0l s THR 139 CO 0.00 0.11 1.37 -0.83 -0.54 0.00 0.00 174.62 174.73 1a0l s GLY 140 N -0.09 -0.32 -0.39 3.99 0.00 -0.39 -4.47 107.32 105.66 1a0l s GLY 140 Ca 0.02 0.47 0.05 0.00 0.00 0.00 0.00 44.72 45.25 1a0l s GLY 140 CO -0.00 3.56 1.42 0.79 0.00 0.00 0.00 173.10 178.87 1a0l n TRP 141 N -0.74 2.75 -2.63 1.90 8.01 -1.26 -2.16 117.44 123.30 1a0l n TRP 141 Ca -0.01 -2.39 -0.14 0.00 -1.31 0.00 0.00 57.50 53.65 1a0l n TRP 141 Cb 0.61 -0.63 0.07 0.00 -2.01 0.00 0.00 31.31 29.34 1a0l n TRP 141 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 1a0l n GLY 142 N -0.79 1.05 3.56 6.99 0.00 -1.26 -4.84 105.19 109.90 1a0l n GLY 142 Ca 0.48 -2.06 -0.42 0.00 0.00 0.00 0.00 46.02 44.03 1a0l n GLY 142 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1a0l n ASP 143 N -2.84 0.63 -0.35 1.61 9.92 0.35 -2.61 116.55 123.26 1a0l n ASP 143 Ca 0.10 1.01 0.13 0.00 -0.53 0.00 0.00 54.79 55.50 1a0l n ASP 143 Cb 0.37 -1.28 0.38 0.00 -0.64 0.00 0.00 41.12 39.95 1a0l n ASP 143 CO 0.00 0.00 0.00 1.33 0.13 0.00 0.00 177.20 178.66 1a0l n VAL 144 N -0.57 0.00 -3.61 2.53 0.24 0.11 -0.25 118.33 116.78 1a0l n VAL 144 Ca 0.10 -0.18 -0.02 0.00 -2.04 0.00 0.00 64.34 62.20 1a0l n VAL 144 Cb 0.39 0.53 -0.01 0.00 -1.47 0.00 0.00 33.84 33.27 1a0l n VAL 144 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 1a0l s ASP 145 N -2.35 -0.08 -0.06 -1.34 2.15 -1.19 -4.18 116.67 109.62 1a0l s ASP 145 Ca 0.28 -0.03 -0.35 0.00 0.43 0.00 0.00 52.55 52.87 1a0l s ASP 145 Cb 0.20 0.11 -0.13 0.00 -0.30 0.00 0.00 42.92 42.79 1a0l s ASP 145 CO 0.47 -0.19 1.75 0.59 -0.17 0.00 0.00 175.17 177.62 1a0l n ASN 146 N -0.20 3.02 -1.80 -0.34 3.02 -1.26 -0.82 115.26 116.89 1a0l n ASN 146 Ca -0.01 1.03 -0.21 0.00 -0.03 0.00 0.00 54.58 55.35 1a0l n ASN 146 Cb 0.59 -1.32 -0.07 0.00 -0.61 0.00 0.00 39.78 38.37 1a0l n ASN 146 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 1a0l n ASP 147 N 5.40 -5.63 -3.97 6.41 8.00 -1.26 -4.94 116.55 120.56 1a0l n ASP 147 Ca 0.22 0.39 -0.31 0.00 0.71 0.00 0.00 54.79 55.80 1a0l n ASP 147 Cb 0.25 -4.89 -0.15 0.00 -0.02 0.00 0.00 41.12 36.31 1a0l n ASP 147 CO 0.00 0.00 0.00 -0.70 -0.39 0.00 0.00 177.20 176.11 1a0l s GLU 149 N -4.08 1.46 0.63 -1.24 -6.30 0.00 -5.09 118.70 104.08 1a0l s GLU 149 Ca 0.00 -1.90 -0.16 0.00 -2.50 0.00 0.00 54.97 50.41 1a0l s GLU 149 Cb 0.00 -3.08 -0.01 0.00 0.00 0.00 0.00 34.13 31.04 1a0l s GLU 149 CO 0.00 -0.97 1.12 -0.98 0.02 0.00 0.00 175.26 174.44 1a0l s ARG 150 N 0.79 2.91 0.00 4.30 1.04 -1.26 -0.71 118.95 126.02 1a0l s ARG 150 Ca 0.12 1.46 0.00 0.00 -1.04 0.00 0.00 55.73 56.27 1a0l s ARG 150 Cb -0.20 -1.96 0.00 0.00 -2.04 0.00 0.00 34.95 30.75 1a0l s ARG 150 CO -0.08 -1.17 0.00 -0.11 -0.04 0.00 0.00 175.30 173.89 1a0l n LEU 151 N -2.16 0.00 -0.30 -1.89 7.94 -1.26 -4.58 117.00 114.75 1a0l n LEU 151 Ca 0.11 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 55.01 1a0l n LEU 151 Cb 0.52 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.47 1a0l n LEU 151 CO 0.46 -0.77 0.00 -0.81 -1.11 0.00 0.00 177.39 175.16 1a0l n PRO 152 N -1.07 0.00 -3.20 1.96 -0.04 -1.26 -5.02 135.00 126.37 1a0l n PRO 152 Ca 0.00 0.00 -0.11 0.00 -0.04 0.00 0.00 63.50 63.35 1a0l n PRO 152 Cb 0.00 -0.42 0.05 0.00 -0.04 0.00 0.00 33.50 33.09 1a0l n PRO 152 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 1a0l n PHE 153 N 0.00 -2.61 -2.17 0.54 3.72 -1.26 -3.62 117.46 112.06 1a0l n PHE 153 Ca 0.00 0.94 -0.34 0.00 -0.05 0.00 0.00 57.45 58.00 1a0l n PHE 153 Cb 0.00 -4.12 0.00 0.00 -0.94 0.00 0.00 39.48 34.43 1a0l n PHE 153 CO 0.00 0.00 0.00 -1.25 -0.05 0.00 0.00 176.76 175.46 1a0l s PRO 154 N -4.01 3.37 -0.09 -1.08 0.04 -1.26 -1.53 135.00 130.45 1a0l s PRO 154 Ca 0.33 1.35 -0.30 0.00 0.04 0.00 0.00 61.00 62.42 1a0l s PRO 154 Cb -0.04 -2.03 -0.02 0.00 0.04 0.00 0.00 34.50 32.45 1a0l s PRO 154 CO 0.74 -0.78 1.06 -1.17 0.04 0.00 0.00 177.00 176.89 1a0l s LEU 155 N -4.15 4.26 0.20 -3.56 2.96 -0.85 -4.78 118.68 112.76 1a0l s LEU 155 Ca 0.67 1.62 0.06 0.00 -0.22 0.00 0.00 54.13 56.25 1a0l s LEU 155 Cb -0.18 -3.56 -0.04 0.00 0.50 0.00 0.00 46.19 42.91 1a0l s LEU 155 CO 0.31 -0.47 0.16 -0.54 -1.32 0.00 0.00 176.35 174.49 1a0l s LYS 156 N 2.00 2.91 0.07 1.98 1.02 -0.92 -0.10 119.74 126.70 1a0l s LYS 156 Ca 0.51 -0.95 0.00 0.00 0.02 0.00 0.00 55.97 55.55 1a0l s LYS 156 Cb -0.20 -2.61 -0.04 0.00 -0.52 0.00 0.00 37.83 34.46 1a0l s LYS 156 CO 0.20 0.45 -0.05 1.14 -0.92 0.00 0.00 175.35 176.16 1a0l s GLN 157 N -3.42 0.72 -0.10 1.68 -2.07 0.77 -1.26 119.66 115.98 1a0l s GLN 157 Ca 0.32 -1.27 -0.23 0.00 -1.82 0.00 0.00 55.36 52.35 1a0l s GLN 157 Cb -0.09 -0.01 0.05 0.00 -1.09 0.00 0.00 33.01 31.87 1a0l s GLN 157 CO 0.24 -0.06 0.56 0.54 -1.32 0.00 0.00 175.29 175.25 1a0l s VAL 158 N -3.71 0.01 -0.37 3.63 0.11 -0.64 -1.23 120.40 118.20 1a0l s VAL 158 Ca 0.09 -0.11 -0.14 0.00 -2.93 0.00 0.00 61.98 58.89 1a0l s VAL 158 Cb 0.06 -0.85 -0.00 0.00 -1.53 0.00 0.00 36.38 34.07 1a0l s VAL 158 CO -0.07 -0.06 0.30 -0.75 -3.33 0.00 0.00 175.10 171.19 1a0l s LYS 159 N -0.69 3.29 0.04 1.54 2.20 -1.26 -1.53 119.74 123.33 1a0l s LYS 159 Ca -0.08 -0.75 0.06 0.00 -0.36 0.00 0.00 55.97 54.84 1a0l s LYS 159 Cb -0.03 -3.88 -0.03 0.00 -1.51 0.00 0.00 37.83 32.38 1a0l s LYS 159 CO 0.05 -0.60 -0.11 0.14 -0.36 0.00 0.00 175.35 174.47 1a0l s VAL 160 N 1.79 3.29 0.07 4.02 -7.23 -0.54 -5.00 120.40 116.80 1a0l s VAL 160 Ca 0.07 -1.04 -0.26 0.00 -1.81 0.00 0.00 61.98 58.94 1a0l s VAL 160 Cb -0.18 -2.45 -0.06 0.00 0.56 0.00 0.00 36.38 34.25 1a0l s VAL 160 CO 0.11 0.30 0.80 -2.16 -0.31 0.00 0.00 175.10 173.84 1a0l s PRO 161 N -1.64 4.54 0.66 4.82 0.04 -1.26 -3.56 135.00 138.61 1a0l s PRO 161 Ca 0.17 1.14 -0.15 0.00 0.04 0.00 0.00 61.00 62.21 1a0l s PRO 161 Cb -0.11 -3.35 -0.00 0.00 0.04 0.00 0.00 34.50 31.08 1a0l s PRO 161 CO 0.08 0.32 1.11 0.42 0.04 0.00 0.00 177.00 178.98 1a0l s ILE 162 N -0.22 3.20 -0.01 0.56 -1.09 -1.26 -1.66 121.20 120.71 1a0l s ILE 162 Ca 0.39 0.56 -0.01 0.00 -2.23 0.00 0.00 60.65 59.37 1a0l s ILE 162 Cb -0.21 -3.09 0.01 0.00 -1.58 0.00 0.00 42.46 37.59 1a0l s ILE 162 CO 0.25 -0.34 0.03 -0.32 -1.23 0.00 0.00 174.94 173.32 1a0l s MET 163 N -4.07 0.01 0.30 2.79 -2.45 0.42 -3.39 119.30 112.93 1a0l s MET 163 Ca 0.67 0.09 -0.29 0.00 -1.25 0.00 0.00 55.69 54.91 1a0l s MET 163 Cb -0.21 -0.07 -0.10 0.00 1.25 0.00 0.00 34.83 35.70 1a0l s MET 163 CO 0.41 -0.06 1.41 -2.00 1.05 0.00 0.00 175.02 175.84 1a0l s GLU 164 N 0.36 4.26 0.29 4.11 2.12 -1.26 -3.68 118.70 124.89 1a0l s GLU 164 Ca -0.03 2.34 0.03 0.00 0.36 0.00 0.00 54.97 57.67 1a0l s GLU 164 Cb -0.04 -3.06 0.70 0.00 0.26 0.00 0.00 34.13 31.98 1a0l s GLU 164 CO -0.01 -0.37 1.70 -0.91 -0.54 0.00 0.00 175.26 175.13 1a0l h ASN 165 N 4.06 0.34 0.53 -1.70 4.21 -1.94 0.16 115.58 121.24 1a0l h ASN 165 Ca -0.48 0.15 -0.08 0.00 1.21 0.00 0.00 56.30 57.10 1a0l h ASN 165 Cb 1.22 0.12 -0.01 0.00 -1.12 0.00 0.00 38.32 38.54 1a0l h ASN 165 CO 0.71 0.02 -0.37 0.45 -1.29 0.00 0.00 177.43 176.95 1a0l h HIS 166 N 0.42 0.00 0.20 1.19 3.86 -1.92 0.27 115.15 119.16 1a0l h HIS 166 Ca 0.54 0.00 -0.34 0.00 -1.16 0.00 0.00 60.37 59.42 1a0l h HIS 166 Cb 1.00 0.00 0.02 0.00 1.06 0.00 0.00 27.41 29.49 1a0l h HIS 166 CO -0.14 0.37 -1.60 0.82 0.86 0.00 0.00 177.93 178.24 1a0l h ILE 167 N 0.00 1.12 -0.38 2.45 1.08 -1.27 -2.98 117.51 117.53 1a0l h ILE 167 Ca -0.00 -2.66 -0.07 0.00 -0.39 0.00 0.00 64.86 61.74 1a0l h ILE 167 Cb 0.73 2.87 -0.01 0.00 -3.07 0.00 0.00 36.82 37.33 1a0l h ILE 167 CO 0.05 0.84 -0.02 0.00 -0.69 0.00 0.00 178.15 178.33 1a0l h ASP 169 N 0.50 0.82 -0.72 0.00 3.58 -0.58 -2.44 116.42 117.58 1a0l h ASP 169 Ca 0.11 -0.10 0.05 0.00 0.42 0.00 0.00 57.03 57.51 1a0l h ASP 169 Cb 0.49 -0.21 -0.05 0.00 1.72 0.00 0.00 39.33 41.28 1a0l h ASP 169 CO 0.02 0.72 0.43 0.00 -2.88 0.00 0.00 179.24 177.54 1a0l h ALA 170 N 1.40 0.97 -0.19 -0.78 0.00 -1.31 -2.00 119.26 117.35 1a0l h ALA 170 Ca 0.22 -0.00 -0.12 0.00 0.00 0.00 0.00 54.91 55.00 1a0l h ALA 170 Cb 0.14 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 1a0l h ALA 170 CO -0.02 0.16 -0.40 0.87 0.00 0.00 0.00 179.25 179.86 1a0l h LYS 171 N 0.81 0.42 0.00 0.00 1.57 -1.08 -2.58 116.57 115.72 1a0l h LYS 171 Ca 0.31 -0.20 0.00 0.00 -1.87 0.00 0.00 60.65 58.89 1a0l h LYS 171 Cb 0.13 -0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.43 1a0l h LYS 171 CO -0.15 0.75 0.00 0.66 -0.57 0.00 0.00 179.45 180.14 1a0l n TYR 172 N -4.03 0.00 -0.09 -1.35 4.02 -0.77 -1.46 117.16 113.48 1a0l n TYR 172 Ca -0.01 0.00 -0.10 0.00 -0.01 0.00 0.00 57.90 57.78 1a0l n TYR 172 Cb 0.49 -0.18 -0.14 0.00 -0.02 0.00 0.00 39.34 39.49 1a0l n TYR 172 CO 0.00 0.00 0.00 0.72 -1.01 0.00 0.00 176.86 176.57 1a0l n HIS 173 N -1.18 0.00 -1.66 -0.72 8.25 -0.99 -4.76 115.22 114.17 1a0l n HIS 173 Ca 0.08 0.00 -0.47 0.00 -0.26 0.00 0.00 57.72 57.07 1a0l n HIS 173 Cb 0.08 -0.89 -0.04 0.00 1.12 0.00 0.00 29.99 30.26 1a0l n HIS 173 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 1a0l n LEU 173 N -2.72 3.54 0.00 2.41 4.77 -0.53 -0.02 117.00 124.45 1a0l n LEU 173 Ca -0.30 0.86 0.00 0.00 -0.03 0.00 0.00 56.01 56.53 1a0l n LEU 173 Cb 1.07 -1.42 0.00 0.00 -2.33 0.00 0.00 43.42 40.74 1a0l n LEU 173 CO 0.37 -0.08 0.00 0.61 -1.33 0.00 0.00 177.39 176.96 1a0l n GLY 173 N 4.68 0.51 3.11 -0.72 0.00 -1.26 -5.00 105.19 106.51 1a0l n GLY 173 Ca 0.24 -0.65 -0.20 0.00 0.00 0.00 0.00 46.02 45.41 1a0l n GLY 173 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1a0l s ALA 173 N -2.00 1.08 0.29 4.61 0.00 0.98 -5.04 121.76 121.68 1a0l s ALA 173 Ca 0.00 -0.69 0.18 0.00 0.00 0.00 0.00 51.96 51.45 1a0l s ALA 173 Cb 0.00 -0.21 0.84 0.00 0.00 0.00 0.00 23.12 23.75 1a0l s ALA 173 CO 0.00 0.22 1.83 1.88 0.00 0.00 0.00 175.76 179.69 1a0l h TYR 173 N 5.31 0.00 -1.84 0.00 0.05 -1.95 -3.45 116.97 115.09 1a0l h TYR 173 Ca -0.36 0.00 -0.66 0.00 0.05 0.00 0.00 58.73 57.77 1a0l h TYR 173 Cb 1.18 0.00 0.05 0.00 1.01 0.00 0.00 36.73 38.97 1a0l h TYR 173 CO 0.48 0.33 0.58 2.41 -1.05 0.00 0.00 178.16 180.91 1a0l n THR 173 N -3.74 0.03 0.00 -2.88 -1.04 -1.26 -5.16 114.28 100.22 1a0l n THR 173 Ca -0.01 -0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.99 1a0l n THR 173 Cb 0.42 -1.05 0.00 0.00 -1.82 0.00 0.00 70.33 67.89 1a0l n THR 173 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1a0l n GLY 173 N 2.87 -2.69 2.16 3.41 0.00 -1.26 -4.92 105.19 104.77 1a0l n GLY 173 Ca 0.18 -0.87 0.00 0.00 0.00 0.00 0.00 46.02 45.33 1a0l n GLY 173 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1a0l n ASP 173 N 0.00 0.00 -4.73 1.61 5.75 -1.26 -4.64 116.55 113.28 1a0l n ASP 173 Ca 0.00 0.00 -0.37 0.00 -0.01 0.00 0.00 54.79 54.41 1a0l n ASP 173 Cb 0.00 0.00 -0.06 0.00 -1.03 0.00 0.00 41.12 40.03 1a0l n ASP 173 CO 0.00 0.00 0.00 -0.69 -0.11 0.00 0.00 177.20 176.40 1a0l s VAL 173 N 0.00 5.23 -0.29 2.12 1.01 -1.26 -5.04 120.40 122.16 1a0l s VAL 173 Ca 0.00 0.81 -0.18 0.00 0.00 0.00 0.00 61.98 62.62 1a0l s VAL 173 Cb 0.00 -3.75 -0.02 0.00 0.00 0.00 0.00 36.38 32.61 1a0l s VAL 173 CO 0.00 0.35 0.50 -0.60 0.00 0.00 0.00 175.10 175.35 1a0l s ARG 174 N 0.54 3.91 -0.18 2.72 3.52 -1.26 -4.95 118.95 123.26 1a0l s ARG 174 Ca 0.23 0.13 -0.16 0.00 -0.13 0.00 0.00 55.73 55.80 1a0l s ARG 174 Cb -0.14 -3.71 -0.11 0.00 -1.56 0.00 0.00 34.95 29.43 1a0l s ARG 174 CO 0.08 -0.44 -0.01 -0.89 -0.81 0.00 0.00 175.30 173.23 1a0l n ILE 175 N 5.25 1.48 -2.66 4.11 5.41 -1.26 -4.67 119.36 127.03 1a0l n ILE 175 Ca -0.05 0.07 -0.42 0.00 1.00 0.00 0.00 62.75 63.35 1a0l n ILE 175 Cb 0.50 -2.20 -0.03 0.00 -0.71 0.00 0.00 39.64 37.20 1a0l n ILE 175 CO 0.00 0.00 0.00 -0.69 0.00 0.00 0.00 176.55 175.86 1a0l s VAL 176 N -2.34 4.13 1.08 1.39 1.01 -1.26 -4.99 120.40 119.42 1a0l s VAL 176 Ca -0.23 -0.96 -0.17 0.00 0.00 0.00 0.00 61.98 60.62 1a0l s VAL 176 Cb 0.05 -4.98 0.10 0.00 0.00 0.00 0.00 36.38 31.54 1a0l s VAL 176 CO 0.41 -1.82 0.17 0.54 0.00 0.00 0.00 175.10 174.40 1a0l n ARG 177 N 8.27 -1.28 0.23 2.72 3.00 -1.26 -4.88 116.66 123.47 1a0l n ARG 177 Ca 0.30 -0.35 0.10 0.00 -0.01 0.00 0.00 57.85 57.89 1a0l n ARG 177 Cb 0.50 -1.77 0.52 0.00 0.00 0.00 0.00 32.46 31.72 1a0l n ARG 177 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.63 177.19 1a0l h ASP 178 N -1.96 0.00 -0.49 0.55 3.32 -1.99 -2.87 116.42 112.99 1a0l h ASP 178 Ca -0.51 0.00 -0.14 0.00 0.02 0.00 0.00 57.03 56.40 1a0l h ASP 178 Cb 1.34 0.00 -0.08 0.00 0.22 0.00 0.00 39.33 40.80 1a0l h ASP 178 CO 0.38 0.22 0.17 -0.90 -1.72 0.00 0.00 179.24 177.39 1a0l n ASP 179 N -3.50 3.87 -4.52 6.45 5.75 -1.26 -4.87 116.55 118.47 1a0l n ASP 179 Ca -0.01 -2.79 -0.24 0.00 -0.01 0.00 0.00 54.79 51.74 1a0l n ASP 179 Cb 0.38 -0.66 -0.11 0.00 -1.03 0.00 0.00 41.12 39.70 1a0l n ASP 179 CO 0.00 0.00 0.00 -0.04 -0.11 0.00 0.00 177.20 177.05 1a0l s MET 180 N -2.16 1.77 -0.03 0.11 -1.94 -1.08 -0.82 119.30 115.14 1a0l s MET 180 Ca 0.36 -1.98 -0.13 0.00 -1.71 0.00 0.00 55.69 52.24 1a0l s MET 180 Cb 0.29 -1.22 0.02 0.00 2.01 0.00 0.00 34.83 35.93 1a0l s MET 180 CO 0.09 -0.10 0.29 -1.17 -0.01 0.00 0.00 175.02 174.12 1a0l s LEU 181 N -3.57 0.94 0.08 -0.03 0.20 -0.08 -4.60 118.68 111.62 1a0l s LEU 181 Ca 0.35 0.17 0.07 0.00 0.69 0.00 0.00 54.13 55.41 1a0l s LEU 181 Cb 0.09 1.14 -0.04 0.00 -0.43 0.00 0.00 46.19 46.95 1a0l s LEU 181 CO 0.16 -0.36 -0.12 0.00 -0.29 0.00 0.00 176.35 175.75 1a0l s ALA 183 N -1.14 -1.66 0.00 0.00 0.00 -0.90 -0.43 121.76 117.62 1a0l s ALA 183 Ca 0.19 0.72 0.00 0.00 0.00 0.00 0.00 51.96 52.88 1a0l s ALA 183 Cb -0.11 0.64 0.00 0.00 0.00 0.00 0.00 23.12 23.65 1a0l s ALA 183 CO 0.11 -0.68 0.00 0.41 0.00 0.00 0.00 175.76 175.60 1a0l n GLY 184 N -0.11 -2.14 3.91 0.00 0.00 -0.67 -1.79 105.19 104.39 1a0l n GLY 184 Ca -0.16 -2.15 -0.02 0.00 0.00 0.00 0.00 46.02 43.69 1a0l n GLY 184 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1a0l s ASN 185 N -2.01 0.01 0.00 1.61 2.20 -0.43 -4.63 114.94 111.69 1a0l s ASN 185 Ca 0.00 -0.62 0.00 0.00 -0.94 0.00 0.00 52.86 51.30 1a0l s ASN 185 Cb 0.00 0.45 0.00 0.00 -2.00 0.00 0.00 41.25 39.70 1a0l s ASN 185 CO 0.00 -0.91 0.72 0.35 -2.94 0.00 0.00 177.10 174.33 1a0l n THR 186 N -0.74 1.03 -0.72 0.54 -2.24 -1.26 -2.18 114.28 108.71 1a0l n THR 186 Ca -0.02 0.33 0.00 0.00 -2.27 0.00 0.00 64.05 62.09 1a0l n THR 186 Cb 0.59 -1.33 0.00 0.00 -2.10 0.00 0.00 70.33 67.49 1a0l n THR 186 CO 0.00 0.00 0.00 -2.11 -0.57 0.00 0.00 175.07 172.39 1a0l n ARG 187 N -1.22 -0.18 -3.66 -0.78 1.85 -1.26 -4.70 116.66 106.71 1a0l n ARG 187 Ca 0.00 -0.12 -0.16 0.00 -1.00 0.00 0.00 57.85 56.57 1a0l n ARG 187 Cb 0.07 -0.61 -0.15 0.00 -1.05 0.00 0.00 32.46 30.73 1a0l n ARG 187 CO 0.00 0.00 0.00 1.03 -0.01 0.00 0.00 177.63 178.65 1a0l s ARG 188 N -0.01 0.06 -0.12 2.89 0.52 -0.93 -3.96 118.95 117.40 1a0l s ARG 188 Ca 0.00 0.60 -0.32 0.00 -0.52 0.00 0.00 55.73 55.49 1a0l s ARG 188 Cb 0.00 -0.24 0.13 0.00 0.52 0.00 0.00 34.95 35.36 1a0l s ARG 188 CO 0.00 -0.31 1.06 0.34 0.02 0.00 0.00 175.30 176.41 1a0l s ASP 189 N 2.32 -0.25 0.89 0.23 2.15 -0.73 -1.32 116.67 119.96 1a0l s ASP 189 Ca 0.03 0.05 -0.14 0.00 0.43 0.00 0.00 52.55 52.93 1a0l s ASP 189 Cb -0.12 0.25 0.13 0.00 -0.30 0.00 0.00 42.92 42.89 1a0l s ASP 189 CO -0.06 -0.39 1.21 -0.94 -0.17 0.00 0.00 175.17 174.82 1a0l s SER 190 N -2.10 3.76 0.00 -0.34 1.04 -1.26 -0.51 113.70 114.28 1a0l s SER 190 Ca 0.06 0.65 0.00 0.00 0.48 0.00 0.00 55.95 57.15 1a0l s SER 190 Cb -0.01 -1.02 0.00 0.00 0.10 0.00 0.00 66.02 65.09 1a0l s SER 190 CO -0.06 -2.37 0.00 0.00 0.98 0.00 0.00 173.24 171.80 1a0l n GLN 192 N 0.00 2.16 -0.00 0.00 -0.06 -1.26 -1.63 117.38 116.59 1a0l n GLN 192 Ca 0.00 0.79 0.00 0.00 -2.00 0.00 0.00 57.00 55.79 1a0l n GLN 192 Cb 0.00 -2.59 0.00 0.00 -4.06 0.00 0.00 30.24 23.59 1a0l n GLN 192 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 1a0l n GLY 193 N 3.84 0.11 0.08 1.69 0.00 -1.26 -0.50 105.19 109.14 1a0l n GLY 193 Ca 0.19 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.33 1a0l n GLY 193 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1a0l n ASP 194 N 0.00 0.64 -4.49 1.61 8.00 -0.65 -4.21 116.55 117.45 1a0l n ASP 194 Ca 0.00 0.16 -0.58 0.00 0.71 0.00 0.00 54.79 55.08 1a0l n ASP 194 Cb 0.00 0.77 -0.07 0.00 -0.02 0.00 0.00 41.12 41.80 1a0l n ASP 194 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 1a0l n SER 195 N -2.44 -0.12 0.00 -2.24 7.64 -1.26 -0.68 113.62 114.52 1a0l n SER 195 Ca -0.00 1.16 0.00 0.00 1.01 0.00 0.00 58.87 61.03 1a0l n SER 195 Cb 0.53 -0.93 0.00 0.00 -1.01 0.00 0.00 64.21 62.80 1a0l n SER 195 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1a0l n GLY 196 N 1.56 3.14 3.61 0.23 0.00 -0.65 -1.73 105.19 111.35 1a0l n GLY 196 Ca 0.20 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.92 1a0l n GLY 196 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1a0l s GLY 197 N -2.44 1.61 0.26 -0.02 0.00 0.14 -3.69 107.32 103.19 1a0l s GLY 197 Ca 0.00 0.13 -0.18 0.00 0.00 0.00 0.00 44.72 44.67 1a0l s GLY 197 CO 0.00 0.69 0.74 2.56 0.00 0.00 0.00 173.10 177.08 1a0l s PRO 198 N -4.65 4.18 -0.47 2.90 0.04 -1.26 -1.92 135.00 133.83 1a0l s PRO 198 Ca 0.66 0.82 0.03 0.00 0.04 0.00 0.00 61.00 62.55 1a0l s PRO 198 Cb -0.22 -2.72 0.12 0.00 0.04 0.00 0.00 34.50 31.72 1a0l s PRO 198 CO 0.60 0.31 0.21 -1.17 0.04 0.00 0.00 177.00 176.99 1a0l s LEU 199 N -2.32 4.62 -0.02 -3.56 2.96 -0.75 -3.59 118.68 116.01 1a0l s LEU 199 Ca 0.47 -2.66 -0.03 0.00 -0.22 0.00 0.00 54.13 51.69 1a0l s LEU 199 Cb -0.14 -1.67 -0.04 0.00 0.50 0.00 0.00 46.19 44.83 1a0l s LEU 199 CO 0.20 -0.31 0.17 0.68 -1.32 0.00 0.00 176.35 175.76 1a0l s VAL 200 N 0.21 5.39 0.03 1.68 -7.23 -0.97 0.12 120.40 119.62 1a0l s VAL 200 Ca 0.14 -0.14 0.06 0.00 -1.81 0.00 0.00 61.98 60.24 1a0l s VAL 200 Cb -0.23 -3.50 -0.02 0.00 0.56 0.00 0.00 36.38 33.19 1a0l s VAL 200 CO -0.03 0.36 -0.18 0.00 -0.31 0.00 0.00 175.10 174.94 1a0l s LYS 202 N -0.97 3.75 -0.29 0.00 2.20 -1.17 -0.30 119.74 122.96 1a0l s LYS 202 Ca 0.06 0.31 0.02 0.00 -0.36 0.00 0.00 55.97 56.00 1a0l s LYS 202 Cb -0.08 -3.81 0.08 0.00 -1.51 0.00 0.00 37.83 32.51 1a0l s LYS 202 CO 0.01 -0.86 -0.00 0.08 -0.36 0.00 0.00 175.35 174.22 1a0l s VAL 203 N 3.12 1.85 -1.12 4.02 1.01 0.70 -4.74 120.40 125.24 1a0l s VAL 203 Ca 0.32 -1.76 -0.02 0.00 0.00 0.00 0.00 61.98 60.52 1a0l s VAL 203 Cb -0.13 -2.21 -0.02 0.00 0.00 0.00 0.00 36.38 34.01 1a0l s VAL 203 CO 0.17 -0.36 0.94 -3.20 0.00 0.00 0.00 175.10 172.66 1a0l n ASN 204 N 4.49 -3.60 0.00 3.32 5.15 -1.26 -2.73 115.26 120.62 1a0l n ASN 204 Ca -0.05 -0.63 0.00 0.00 -0.60 0.00 0.00 54.58 53.30 1a0l n ASN 204 Cb 0.43 -5.03 0.00 0.00 -0.53 0.00 0.00 39.78 34.65 1a0l n ASN 204 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1a0l n GLY 205 N -1.17 2.43 3.34 8.20 0.00 -1.26 -5.02 105.19 111.71 1a0l n GLY 205 Ca -0.21 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.52 1a0l n GLY 205 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1a0l s THR 206 N -3.25 2.08 -0.45 2.61 2.01 -1.11 -5.09 115.64 112.44 1a0l s THR 206 Ca 0.00 -1.43 -0.24 0.00 0.31 0.00 0.00 61.69 60.34 1a0l s THR 206 Cb 0.00 -1.80 0.03 0.00 0.01 0.00 0.00 72.50 70.74 1a0l s THR 206 CO 0.00 0.29 0.81 0.26 -0.69 0.00 0.00 174.62 175.30 1a0l s TRP 207 N -0.85 2.98 -0.10 4.92 0.52 -1.26 -0.21 118.94 124.94 1a0l s TRP 207 Ca 0.11 0.21 -0.02 0.00 0.02 0.00 0.00 56.10 56.43 1a0l s TRP 207 Cb -0.10 -3.72 -0.03 0.00 -1.15 0.00 0.00 33.47 28.47 1a0l s TRP 207 CO 0.03 -1.00 -0.02 -0.51 0.02 0.00 0.00 176.95 175.47 1a0l s LEU 208 N 3.38 3.45 -0.81 2.99 1.43 0.59 -3.43 118.68 126.28 1a0l s LEU 208 Ca 0.31 0.06 -0.26 0.00 -1.03 0.00 0.00 54.13 53.22 1a0l s LEU 208 Cb -0.12 -1.79 0.02 0.00 0.03 0.00 0.00 46.19 44.33 1a0l s LEU 208 CO 0.23 0.33 1.46 -1.58 0.23 0.00 0.00 176.35 177.02 1a0l s GLN 209 N -0.61 3.17 0.04 1.70 0.74 -0.58 0.09 119.66 124.22 1a0l s GLN 209 Ca 0.10 -0.37 -0.23 0.00 0.05 0.00 0.00 55.36 54.91 1a0l s GLN 209 Cb -0.12 -4.60 -0.15 0.00 1.10 0.00 0.00 33.01 29.24 1a0l s GLN 209 CO 0.02 -2.34 1.45 0.00 -0.55 0.00 0.00 175.29 173.87 1a0l h ALA 210 N 10.75 0.11 -3.45 1.58 0.00 0.54 -3.38 119.26 125.41 1a0l h ALA 210 Ca -0.12 -0.19 -0.16 0.00 0.00 0.00 0.00 54.91 54.44 1a0l h ALA 210 Cb 1.05 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 18.77 1a0l h ALA 210 CO 1.31 -0.20 -0.11 0.41 0.00 0.00 0.00 179.25 180.66 1a0l n GLY 211 N -0.23 2.77 2.85 0.00 0.00 -0.67 -2.86 105.19 107.06 1a0l n GLY 211 Ca -0.07 -1.55 -0.23 0.00 0.00 0.00 0.00 46.02 44.17 1a0l n GLY 211 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1a0l s VAL 212 N -2.64 0.60 -0.20 1.61 1.01 -0.90 -1.81 120.40 118.07 1a0l s VAL 212 Ca 0.16 -0.06 -0.39 0.00 0.00 0.00 0.00 61.98 61.68 1a0l s VAL 212 Cb -0.00 -0.68 -0.16 0.00 0.00 0.00 0.00 36.38 35.54 1a0l s VAL 212 CO 0.11 0.28 1.65 0.52 0.00 0.00 0.00 175.10 177.67 1a0l n VAL 213 N 4.74 0.24 0.00 2.92 0.31 -0.81 -0.60 118.33 125.14 1a0l n VAL 213 Ca -0.14 -0.04 0.00 0.00 -0.01 0.00 0.00 64.34 64.15 1a0l n VAL 213 Cb 0.50 -1.13 0.00 0.00 -0.91 0.00 0.00 33.84 32.30 1a0l n VAL 213 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 1a0l n SER 214 N 4.74 0.00 -0.59 4.52 2.88 -1.01 -1.64 113.62 122.52 1a0l n SER 214 Ca 0.25 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.79 1a0l n SER 214 Cb 0.14 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.60 1a0l n SER 214 CO 0.00 0.00 0.00 -2.67 -1.23 0.00 0.00 175.04 171.14 1a0l n TRP 215 N -2.48 -0.26 0.00 0.66 4.27 -1.02 -4.94 117.44 113.67 1a0l n TRP 215 Ca 0.00 0.00 0.00 0.00 -3.89 0.00 0.00 57.50 53.61 1a0l n TRP 215 Cb 0.00 0.00 0.00 0.00 -1.36 0.00 0.00 31.31 29.95 1a0l n TRP 215 CO 0.00 0.00 0.00 0.41 -2.29 0.00 0.00 177.69 175.81 1a0l n GLY 216 N 0.00 3.91 2.62 -1.67 0.00 -1.26 -1.79 105.19 107.00 1a0l n GLY 216 Ca 0.00 -1.08 -0.41 0.00 0.00 0.00 0.00 46.02 44.53 1a0l n GLY 216 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1a0l n GLU 217 N -1.50 4.36 0.00 1.61 1.02 -1.26 -4.91 120.64 119.96 1a0l n GLU 217 Ca 0.00 -3.58 0.00 0.00 -0.02 0.00 0.00 57.16 53.56 1a0l n GLU 217 Cb 0.00 -2.70 0.00 0.00 -0.02 0.00 0.00 31.44 28.72 1a0l n GLU 217 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1a0l n GLY 219 N 1.92 2.47 3.78 0.62 0.00 -1.26 -4.88 105.19 107.84 1a0l n GLY 219 Ca 0.54 -1.96 -0.37 0.00 0.00 0.00 0.00 46.02 44.23 1a0l n GLY 219 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1a0l n ALA 221 N 2.89 -2.12 -2.75 0.00 0.00 -1.26 -4.67 120.51 112.59 1a0l n ALA 221 Ca -0.13 -0.30 -0.34 0.00 0.00 0.00 0.00 53.44 52.67 1a0l n ALA 221 Cb 0.52 -1.86 -0.10 0.00 0.00 0.00 0.00 19.45 18.01 1a0l n ALA 221 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 1a0l s GLN 221 N -6.58 3.22 -0.08 0.00 -0.21 -1.26 -4.59 119.66 110.16 1a0l s GLN 221 Ca 0.09 -0.45 -0.37 0.00 0.02 0.00 0.00 55.36 54.65 1a0l s GLN 221 Cb -0.04 -2.83 -0.15 0.00 1.00 0.00 0.00 33.01 30.99 1a0l s GLN 221 CO 0.90 0.54 1.65 -0.35 -2.12 0.00 0.00 175.29 175.91 1a0l n PRO 222 N 2.65 1.54 -1.70 2.91 -0.04 -1.26 -1.52 135.00 137.57 1a0l n PRO 222 Ca -0.18 0.56 -0.15 0.00 -0.04 0.00 0.00 63.50 63.70 1a0l n PRO 222 Cb 0.53 -2.29 -0.04 0.00 -0.04 0.00 0.00 33.50 31.66 1a0l n PRO 222 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1a0l n ASN 223 N 4.69 -4.65 -3.12 3.54 3.02 -1.26 -4.92 115.26 112.57 1a0l n ASN 223 Ca 0.22 0.24 -0.17 0.00 -0.03 0.00 0.00 54.58 54.84 1a0l n ASN 223 Cb 0.21 -3.55 -0.02 0.00 -0.61 0.00 0.00 39.78 35.81 1a0l n ASN 223 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 1a0l n ARG 224 N -2.52 0.99 -1.69 3.52 5.12 -0.58 -3.99 116.66 117.51 1a0l n ARG 224 Ca -0.15 -3.29 -0.37 0.00 -1.93 0.00 0.00 57.85 52.11 1a0l n ARG 224 Cb 0.53 -1.63 0.07 0.00 -1.16 0.00 0.00 32.46 30.27 1a0l n ARG 224 CO 0.00 0.00 0.00 -0.35 -1.93 0.00 0.00 177.63 175.35 1a0l n PRO 225 N 0.25 1.04 -1.90 5.56 -0.04 -1.26 -4.41 135.00 134.25 1a0l n PRO 225 Ca 0.23 0.41 -0.41 0.00 -0.04 0.00 0.00 63.50 63.69 1a0l n PRO 225 Cb 0.68 -2.48 -0.02 0.00 -0.04 0.00 0.00 33.50 31.64 1a0l n PRO 225 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 1a0l s GLY 226 N -1.40 2.43 -0.14 0.55 0.00 -0.74 -4.82 107.32 103.21 1a0l s GLY 226 Ca 0.82 1.46 -0.12 0.00 0.00 0.00 0.00 44.72 46.88 1a0l s GLY 226 CO 0.41 2.34 0.24 -0.42 0.00 0.00 0.00 173.10 175.67 1a0l s ILE 227 N -0.33 5.34 0.26 0.90 -1.09 -0.74 -2.13 121.20 123.41 1a0l s ILE 227 Ca 0.58 0.44 0.10 0.00 -2.23 0.00 0.00 60.65 59.54 1a0l s ILE 227 Cb -0.45 -3.56 -0.05 0.00 -1.58 0.00 0.00 42.46 36.83 1a0l s ILE 227 CO 0.50 0.48 -0.16 -0.31 -1.23 0.00 0.00 174.94 174.21 1a0l s TYR 228 N -0.11 2.09 0.05 3.97 1.51 0.11 -2.41 117.35 122.57 1a0l s TYR 228 Ca 0.15 -0.45 -0.26 0.00 -1.01 0.00 0.00 57.07 55.50 1a0l s TYR 228 Cb -0.13 -0.96 -0.05 0.00 -0.11 0.00 0.00 41.96 40.71 1a0l s TYR 228 CO 0.04 0.56 0.82 0.99 -1.11 0.00 0.00 175.55 176.85 1a0l s THR 229 N -2.70 4.69 -0.34 -0.71 2.01 0.23 -0.90 115.64 117.92 1a0l s THR 229 Ca 0.28 1.75 -0.29 0.00 0.31 0.00 0.00 61.69 63.74 1a0l s THR 229 Cb -0.02 -4.17 0.01 0.00 0.01 0.00 0.00 72.50 68.32 1a0l s THR 229 CO 0.12 0.34 1.23 -0.60 -0.69 0.00 0.00 174.62 175.02 1a0l s ARG 230 N 0.04 3.89 0.10 4.92 3.52 -0.00 -2.11 118.95 129.29 1a0l s ARG 230 Ca 0.41 1.07 -0.15 0.00 -0.13 0.00 0.00 55.73 56.93 1a0l s ARG 230 Cb -0.21 -3.86 -0.10 0.00 -1.56 0.00 0.00 34.95 29.21 1a0l s ARG 230 CO 0.25 -1.16 1.38 0.28 -0.81 0.00 0.00 175.30 175.24 1a0l h VAL 231 N 6.00 1.31 -0.88 7.11 2.07 -1.82 -2.81 116.25 127.23 1a0l h VAL 231 Ca -0.24 -1.58 0.15 0.00 0.82 0.00 0.00 66.70 65.84 1a0l h VAL 231 Cb 1.08 1.71 -0.07 0.00 -1.52 0.00 0.00 31.29 32.49 1a0l h VAL 231 CO 1.05 0.50 0.57 0.71 0.02 0.00 0.00 177.57 180.43 1a0l h THR 232 N 0.44 0.83 -0.43 2.57 1.35 -1.87 -0.79 112.91 115.01 1a0l h THR 232 Ca 0.02 -0.23 -0.02 0.00 -0.55 0.00 0.00 66.41 65.63 1a0l h THR 232 Cb 0.98 0.10 -0.02 0.00 -1.73 0.00 0.00 68.15 67.47 1a0l h THR 232 CO 0.09 0.12 0.16 0.22 -0.25 0.00 0.00 175.52 175.87 1a0l h TYR 233 N 0.67 0.61 -0.31 4.73 5.03 -1.88 -2.92 116.97 122.90 1a0l h TYR 233 Ca 0.45 -0.02 0.00 0.00 2.58 0.00 0.00 58.73 61.73 1a0l h TYR 233 Cb 0.74 -0.19 0.00 0.00 1.55 0.00 0.00 36.73 38.83 1a0l h TYR 233 CO -0.00 0.49 0.00 0.66 -1.32 0.00 0.00 178.16 177.98 1a0l n TYR 234 N -4.36 0.93 0.01 -3.82 4.01 -0.38 -4.73 117.16 108.82 1a0l n TYR 234 Ca 0.03 -0.77 -0.12 0.00 -0.16 0.00 0.00 57.90 56.88 1a0l n TYR 234 Cb 0.15 -0.26 -0.05 0.00 -0.31 0.00 0.00 39.34 38.87 1a0l n TYR 234 CO 0.00 0.00 0.00 -0.07 -0.46 0.00 0.00 176.86 176.33 1a0l h LEU 235 N 2.08 -1.19 -0.87 7.72 4.07 -1.15 -0.43 115.31 125.54 1a0l h LEU 235 Ca 0.00 0.16 0.20 0.00 0.08 0.00 0.00 57.88 58.32 1a0l h LEU 235 Cb 1.32 0.49 -0.12 0.00 1.08 0.00 0.00 40.66 43.43 1a0l h LEU 235 CO 0.19 -0.41 0.37 0.44 -1.08 0.00 0.00 178.44 177.95 1a0l h ASP 236 N -0.47 0.30 -0.12 -0.43 3.32 -1.85 0.79 116.42 117.97 1a0l h ASP 236 Ca 0.08 0.15 -0.03 0.00 0.02 0.00 0.00 57.03 57.24 1a0l h ASP 236 Cb 0.60 0.13 -0.00 0.00 0.22 0.00 0.00 39.33 40.28 1a0l h ASP 236 CO -0.37 0.02 -0.06 -0.25 -1.72 0.00 0.00 179.24 176.86 1a0l h TRP 237 N 0.41 0.29 -0.60 4.55 7.01 -1.71 -2.10 115.95 123.79 1a0l h TRP 237 Ca 0.53 -0.07 0.11 0.00 2.11 0.00 0.00 58.89 61.56 1a0l h TRP 237 Cb 0.97 -0.07 -0.08 0.00 -2.10 0.00 0.00 29.16 27.88 1a0l h TRP 237 CO -0.15 0.60 0.16 0.82 -2.79 0.00 0.00 178.44 177.08 1a0l h ILE 238 N -0.10 0.68 0.00 2.65 2.04 0.41 0.97 117.51 124.16 1a0l h ILE 238 Ca 0.03 -0.10 0.00 0.00 1.00 0.00 0.00 64.86 65.78 1a0l h ILE 238 Cb 0.52 0.35 0.00 0.00 -0.74 0.00 0.00 36.82 36.95 1a0l h ILE 238 CO 0.02 0.06 0.00 1.41 0.00 0.00 0.00 178.15 179.63 1a0l n HIS 239 N -5.09 0.00 0.49 1.37 8.25 0.12 -0.74 115.22 119.63 1a0l n HIS 239 Ca 0.09 0.00 0.13 0.00 -0.26 0.00 0.00 57.72 57.68 1a0l n HIS 239 Cb 0.31 -0.45 0.45 0.00 1.12 0.00 0.00 29.99 31.42 1a0l n HIS 239 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 1a0l h HIS 240 N 0.00 0.00 0.00 4.41 3.86 -0.09 -3.36 115.15 119.97 1a0l h HIS 240 Ca 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 1a0l h HIS 240 Cb 0.25 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.72 1a0l h HIS 240 CO 0.00 0.00 -0.99 0.66 0.86 0.00 0.00 177.93 178.46 1a0l n TYR 241 N -2.34 0.00 -2.95 2.45 4.01 -0.88 -5.00 117.16 112.45 1a0l n TYR 241 Ca 0.04 0.00 -0.42 0.00 -0.16 0.00 0.00 57.90 57.36 1a0l n TYR 241 Cb 0.34 0.01 -0.05 0.00 -0.31 0.00 0.00 39.34 39.33 1a0l n TYR 241 CO 0.00 0.00 0.00 0.08 -0.46 0.00 0.00 176.86 176.48 1a0l s VAL 242 N -2.00 4.73 0.78 -0.72 1.01 0.08 -5.04 120.40 119.24 1a0l s VAL 242 Ca 0.00 0.89 -0.13 0.00 0.00 0.00 0.00 61.98 62.74 1a0l s VAL 242 Cb 0.00 -4.21 0.06 0.00 0.00 0.00 0.00 36.38 32.23 1a0l s VAL 242 CO 0.00 -0.43 1.17 -2.16 0.00 0.00 0.00 175.10 173.68 1a0l s PRO 243 N 3.10 1.93 -0.84 2.72 0.04 -1.26 -4.29 135.00 136.39 1a0l s PRO 243 Ca 0.31 1.61 -0.21 0.00 0.04 0.00 0.00 61.00 62.76 1a0l s PRO 243 Cb -0.13 -1.82 0.10 0.00 0.04 0.00 0.00 34.50 32.69 1a0l s PRO 243 CO 0.17 -1.97 1.11 0.15 0.04 0.00 0.00 177.00 176.50 1a0l s LYS 244 N -4.22 3.43 0.00 4.56 1.02 -1.26 -5.06 119.74 118.20 1a0l s LYS 244 Ca 0.70 -1.36 0.00 0.00 0.02 0.00 0.00 55.97 55.33 1a0l s LYS 244 Cb -0.25 -4.72 0.00 0.00 -0.52 0.00 0.00 37.83 32.33 1a0l s LYS 244 CO 0.49 -1.84 0.00 1.17 -0.92 0.00 0.00 175.35 174.26