#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i8f n LEU 2 N 0.00 -0.10 -0.31 -0.89 4.32 -1.26 -4.59 117.00 114.17 3i8f n LEU 2 Ca 0.00 -1.81 0.01 0.00 -0.02 0.00 0.00 56.01 54.20 3i8f n LEU 2 Cb 0.00 -1.03 -0.01 0.00 -1.62 0.00 0.00 43.42 40.77 3i8f n LEU 2 CO 0.00 -2.51 -0.11 1.15 -1.22 0.00 0.00 177.39 174.70 3i8f n MET 3 N 6.41 -0.78 0.00 3.23 0.00 -1.26 -5.04 117.12 119.68 3i8f n MET 3 Ca 0.23 0.61 0.00 0.00 0.00 0.00 0.00 57.70 58.55 3i8f n MET 3 Cb 0.45 -0.80 0.00 0.00 0.00 0.00 0.00 33.22 32.88 3i8f n MET 3 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 175.97 173.67 3i8f n PRO 4 N -1.96 2.91 0.00 3.17 -0.02 -1.26 -5.05 135.00 132.79 3i8f n PRO 4 Ca -0.01 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.47 3i8f n PRO 4 Cb 0.11 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.59 3i8f n PRO 4 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 3i8f n ARG 5 N 0.00 0.00 0.00 -0.52 1.74 -1.26 -5.13 116.66 111.49 3i8f n ARG 5 Ca 0.00 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 3i8f n ARG 5 Cb 0.00 -0.19 0.00 0.00 -1.02 0.00 0.00 32.46 31.25 3i8f n ARG 5 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 3i8f n ARG 6 N 0.00 0.00 -0.04 5.56 1.74 -1.26 -5.17 116.66 117.49 3i8f n ARG 6 Ca 0.00 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 3i8f n ARG 6 Cb 0.21 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.65 3i8f n ARG 6 CO 0.00 0.00 0.00 -1.33 -1.52 0.00 0.00 177.63 174.78 3i8f n MET 7 N 0.00 0.00 0.30 5.56 2.81 -1.26 -4.85 117.12 119.68 3i8f n MET 7 Ca 0.00 0.04 0.18 0.00 -1.81 0.00 0.00 57.70 56.11 3i8f n MET 7 Cb 0.00 0.00 0.99 0.00 -0.71 0.00 0.00 33.22 33.50 3i8f n MET 7 CO 0.00 0.00 0.00 1.57 1.51 0.00 0.00 175.97 179.05 3i8f h LYS 8 N 0.00 0.00 -3.25 0.03 2.10 -2.05 -3.38 116.57 110.02 3i8f h LYS 8 Ca 0.00 0.00 -0.48 0.00 -2.00 0.00 0.00 60.65 58.17 3i8f h LYS 8 Cb 0.00 0.00 -0.40 0.00 -0.90 0.00 0.00 32.23 30.93 3i8f h LYS 8 CO 0.00 0.00 -0.75 0.71 -2.00 0.00 0.00 179.45 177.41 3i8f s TYR 9 N -4.48 0.49 -0.41 0.07 2.02 -1.26 -5.09 117.35 108.68 3i8f s TYR 9 Ca -0.05 -0.47 0.01 0.00 -0.37 0.00 0.00 57.07 56.19 3i8f s TYR 9 Cb 0.14 -0.80 0.11 0.00 -0.40 0.00 0.00 41.96 41.01 3i8f s TYR 9 CO 0.50 -0.52 0.16 1.03 -1.57 0.00 0.00 175.55 175.14 3i8f s ARG 10 N 2.04 1.80 0.00 -0.62 1.81 -1.26 -4.79 118.95 117.92 3i8f s ARG 10 Ca 0.01 -2.02 0.00 0.00 -1.72 0.00 0.00 55.73 52.01 3i8f s ARG 10 Cb -0.16 -3.39 0.00 0.00 -0.45 0.00 0.00 34.95 30.95 3i8f s ARG 10 CO -0.08 -1.02 0.00 1.17 -0.68 0.00 0.00 175.30 174.68 3i8f n LYS 11 N 4.14 0.00 -4.20 3.54 4.81 -1.26 -5.09 118.16 120.11 3i8f n LYS 11 Ca 0.02 0.00 -0.17 0.00 -0.87 0.00 0.00 58.31 57.30 3i8f n LYS 11 Cb 0.40 0.00 -0.11 0.00 0.02 0.00 0.00 35.03 35.34 3i8f n LYS 11 CO 0.00 0.00 0.00 1.14 1.17 0.00 0.00 177.40 179.71 3i8f s GLN 12 N -0.49 0.90 0.27 1.64 -2.07 -1.26 -5.07 119.66 113.57 3i8f s GLN 12 Ca 0.00 -1.13 -0.29 0.00 -1.82 0.00 0.00 55.36 52.12 3i8f s GLN 12 Cb 0.00 -0.73 -0.14 0.00 -1.09 0.00 0.00 33.01 31.05 3i8f s GLN 12 CO 0.00 0.14 1.00 1.04 -1.32 0.00 0.00 175.29 176.14 3i8f n GLN 13 N 0.74 1.23 -0.30 9.60 6.02 -1.26 -4.86 117.38 128.55 3i8f n GLN 13 Ca -0.17 0.43 0.12 0.00 -0.01 0.00 0.00 57.00 57.37 3i8f n GLN 13 Cb 0.57 -1.79 0.28 0.00 1.02 0.00 0.00 30.24 30.32 3i8f n GLN 13 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3i8f h ARG 14 N 2.12 0.35 -4.17 -1.09 3.08 -1.99 -3.48 114.38 109.19 3i8f h ARG 14 Ca -0.39 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 59.64 3i8f h ARG 14 Cb 1.35 -0.08 0.00 0.00 0.08 0.00 0.00 29.97 31.32 3i8f h ARG 14 CO 0.62 0.23 -1.00 0.41 -1.07 0.00 0.00 179.97 179.16 3i8f n GLY 15 N -1.34 -4.97 3.89 0.04 0.00 -1.26 -4.98 105.19 96.57 3i8f n GLY 15 Ca 0.21 -0.53 -0.30 0.00 0.00 0.00 0.00 46.02 45.40 3i8f n GLY 15 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3i8f s ARG 16 N -2.82 0.69 -0.67 1.61 6.06 -1.26 -5.02 118.95 117.54 3i8f s ARG 16 Ca 0.00 -0.27 0.05 0.00 -2.50 0.00 0.00 55.73 53.00 3i8f s ARG 16 Cb 0.00 -1.84 0.29 0.00 0.06 0.00 0.00 34.95 33.46 3i8f s ARG 16 CO 0.00 -2.40 0.93 1.28 -2.50 0.00 0.00 175.30 172.61 3i8f n LEU 17 N -3.79 4.41 0.01 -0.88 4.77 -1.26 -4.97 117.00 115.28 3i8f n LEU 17 Ca 0.14 -5.52 -0.00 0.00 -0.03 0.00 0.00 56.01 50.60 3i8f n LEU 17 Cb 0.60 -0.70 -0.00 0.00 -2.33 0.00 0.00 43.42 40.99 3i8f n LEU 17 CO 0.48 2.14 0.27 0.11 -1.33 0.00 0.00 177.39 179.05 3i8f h LYS 18 N 3.84 -0.01 -7.31 3.23 1.57 -2.04 -3.49 116.57 112.36 3i8f h LYS 18 Ca 0.19 0.00 -0.44 0.00 -1.87 0.00 0.00 60.65 58.53 3i8f h LYS 18 Cb 0.58 0.00 0.18 0.00 0.08 0.00 0.00 32.23 33.07 3i8f h LYS 18 CO 0.89 -0.01 0.14 0.20 -0.57 0.00 0.00 179.45 180.09 3i8f s GLY 19 N -1.50 1.55 -0.59 3.86 0.00 -1.26 -4.99 107.32 104.39 3i8f s GLY 19 Ca -0.00 -0.42 -0.19 0.00 0.00 0.00 0.00 44.72 44.11 3i8f s GLY 19 CO 0.01 0.27 0.70 0.00 0.00 0.00 0.00 173.10 174.08 3i8f s ALA 20 N -2.86 3.41 -0.20 3.20 0.00 -1.26 -4.52 121.76 119.53 3i8f s ALA 20 Ca 0.67 -2.23 -0.17 0.00 0.00 0.00 0.00 51.96 50.23 3i8f s ALA 20 Cb -0.19 -3.53 0.03 0.00 0.00 0.00 0.00 23.12 19.43 3i8f s ALA 20 CO 0.59 -2.35 0.29 -2.37 0.00 0.00 0.00 175.76 171.92 3i8f n THR 21 N 5.55 -1.67 -0.35 0.00 5.66 -1.00 -4.62 114.28 117.85 3i8f n THR 21 Ca -0.09 0.03 -0.12 0.00 -3.05 0.00 0.00 64.05 60.82 3i8f n THR 21 Cb 0.42 -1.53 -0.01 0.00 -1.55 0.00 0.00 70.33 67.67 3i8f n THR 21 CO 0.00 0.00 0.00 2.29 -3.05 0.00 0.00 175.07 174.31 3i8f n LYS 22 N -0.11 0.00 -1.43 1.09 0.00 -1.26 -4.06 118.16 112.39 3i8f n LYS 22 Ca -0.04 0.00 -0.26 0.00 -0.00 0.00 0.00 58.31 58.01 3i8f n LYS 22 Cb 0.30 -0.25 -0.20 0.00 -0.00 0.00 0.00 35.03 34.88 3i8f n LYS 22 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 3i8f n GLY 23 N 0.51 -0.47 0.00 2.58 0.00 -1.26 -4.49 105.19 102.05 3i8f n GLY 23 Ca 0.04 0.27 0.00 0.00 0.00 0.00 0.00 46.02 46.33 3i8f n GLY 23 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i8f n GLY 24 N 5.48 -1.80 0.00 -0.02 0.00 -1.26 -5.16 105.19 102.43 3i8f n GLY 24 Ca 0.64 0.77 0.00 0.00 0.00 0.00 0.00 46.02 47.43 3i8f n GLY 24 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3i8f n ASP 25 N 0.00 0.00 -2.24 1.61 -0.08 -1.26 -4.93 116.55 109.65 3i8f n ASP 25 Ca 0.00 0.00 -0.10 0.00 -1.51 0.00 0.00 54.79 53.18 3i8f n ASP 25 Cb 0.00 0.00 -0.03 0.00 2.34 0.00 0.00 41.12 43.43 3i8f n ASP 25 CO 0.00 0.00 0.00 -1.22 0.12 0.00 0.00 177.20 176.10 3i8f n TYR 26 N 0.00 -0.92 -1.45 -0.67 4.01 -1.26 -4.57 117.16 112.30 3i8f n TYR 26 Ca 0.00 -1.48 -0.57 0.00 -0.16 0.00 0.00 57.90 55.69 3i8f n TYR 26 Cb 0.00 0.30 -0.08 0.00 -0.31 0.00 0.00 39.34 39.25 3i8f n TYR 26 CO 0.00 0.00 0.00 1.33 -0.46 0.00 0.00 176.86 177.73 3i8f n VAL 27 N -0.36 0.00 -0.88 -0.72 0.24 -1.26 -4.89 118.33 110.47 3i8f n VAL 27 Ca 0.01 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.31 3i8f n VAL 27 Cb 0.36 -0.03 0.00 0.00 -1.47 0.00 0.00 33.84 32.70 3i8f n VAL 27 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3i8f n ALA 28 N 1.58 0.00 -0.45 2.33 0.00 -1.26 -4.81 120.51 117.90 3i8f n ALA 28 Ca 0.20 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.52 3i8f n ALA 28 Cb 0.07 0.00 0.20 0.00 0.00 0.00 0.00 19.45 19.72 3i8f n ALA 28 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 3i8f n PHE 29 N 0.00 -3.13 -1.12 0.00 3.72 -1.26 -4.81 117.46 110.85 3i8f n PHE 29 Ca 0.00 -0.50 0.14 0.00 -0.05 0.00 0.00 57.45 57.04 3i8f n PHE 29 Cb 0.00 -0.99 -0.04 0.00 -0.94 0.00 0.00 39.48 37.51 3i8f n PHE 29 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3i8f n GLY 30 N -3.74 -1.61 0.00 1.37 0.00 -1.26 -4.85 105.19 95.09 3i8f n GLY 30 Ca 0.10 -0.82 0.00 0.00 0.00 0.00 0.00 46.02 45.30 3i8f n GLY 30 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3i8f n ASP 31 N -4.32 0.00 -4.88 1.61 8.00 0.27 -4.92 116.55 112.31 3i8f n ASP 31 Ca -0.01 0.00 -0.30 0.00 0.71 0.00 0.00 54.79 55.19 3i8f n ASP 31 Cb 0.63 0.00 -0.02 0.00 -0.02 0.00 0.00 41.12 41.70 3i8f n ASP 31 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 3i8f s TYR 32 N 0.00 3.49 0.38 1.24 1.51 -1.03 -4.53 117.35 118.42 3i8f s TYR 32 Ca 0.00 1.05 0.04 0.00 -1.01 0.00 0.00 57.07 57.15 3i8f s TYR 32 Cb 0.00 -2.45 -0.03 0.00 -0.11 0.00 0.00 41.96 39.37 3i8f s TYR 32 CO 0.00 -0.18 0.15 0.20 -1.11 0.00 0.00 175.55 174.62 3i8f s GLY 33 N -3.35 2.50 -0.48 0.71 0.00 -1.11 -0.40 107.32 105.20 3i8f s GLY 33 Ca 0.51 -1.43 0.03 0.00 0.00 0.00 0.00 44.72 43.83 3i8f s GLY 33 CO 0.34 -1.75 0.29 -2.27 0.00 0.00 0.00 173.10 169.71 3i8f s LEU 34 N -3.55 2.90 0.84 0.66 2.96 -1.17 -1.42 118.68 119.91 3i8f s LEU 34 Ca 0.28 -2.86 -0.11 0.00 -0.22 0.00 0.00 54.13 51.22 3i8f s LEU 34 Cb 0.03 -1.07 0.10 0.00 0.50 0.00 0.00 46.19 45.75 3i8f s LEU 34 CO 0.17 -0.23 1.09 0.54 -1.32 0.00 0.00 176.35 176.60 3i8f s VAL 35 N 0.05 2.92 -0.06 1.68 0.11 -1.25 -2.16 120.40 121.70 3i8f s VAL 35 Ca 0.20 0.30 0.02 0.00 -2.93 0.00 0.00 61.98 59.57 3i8f s VAL 35 Cb -0.18 -2.74 -0.03 0.00 -1.53 0.00 0.00 36.38 31.90 3i8f s VAL 35 CO -0.04 -0.39 -0.10 0.00 -3.33 0.00 0.00 175.10 171.24 3i8f s ALA 36 N -2.89 2.85 -0.24 1.54 0.00 -0.01 -3.00 121.76 120.02 3i8f s ALA 36 Ca 0.63 -0.92 -0.12 0.00 0.00 0.00 0.00 51.96 51.54 3i8f s ALA 36 Cb -0.18 -1.13 -0.17 0.00 0.00 0.00 0.00 23.12 21.65 3i8f s ALA 36 CO 0.57 0.56 -0.09 1.28 0.00 0.00 0.00 175.76 178.07 3i8f n LEU 37 N 2.28 2.20 -4.60 0.00 4.77 -0.82 -0.62 117.00 120.22 3i8f n LEU 37 Ca -0.18 0.26 -0.34 0.00 -0.03 0.00 0.00 56.01 55.72 3i8f n LEU 37 Cb 0.53 -0.91 -0.11 0.00 -2.33 0.00 0.00 43.42 40.60 3i8f n LEU 37 CO 0.26 0.60 -0.34 -1.61 -1.33 0.00 0.00 177.39 174.97 3i8f s GLU 38 N -2.48 3.10 0.72 3.23 8.01 -1.26 -4.38 118.70 125.65 3i8f s GLU 38 Ca -0.34 -0.48 -0.14 0.00 0.01 0.00 0.00 54.97 54.02 3i8f s GLU 38 Cb 0.10 -2.76 0.03 0.00 -4.31 0.00 0.00 34.13 27.19 3i8f s GLU 38 CO 0.57 0.56 1.15 -1.25 0.01 0.00 0.00 175.26 176.30 3i8f s PRO 39 N -0.51 2.32 0.12 0.39 0.04 -1.26 -4.70 135.00 131.40 3i8f s PRO 39 Ca 0.08 1.53 -0.17 0.00 0.04 0.00 0.00 61.00 62.48 3i8f s PRO 39 Cb -0.12 -1.88 0.06 0.00 0.04 0.00 0.00 34.50 32.60 3i8f s PRO 39 CO 0.02 -1.65 0.83 0.00 0.04 0.00 0.00 177.00 176.24 3i8f n ALA 40 N -2.81 -2.18 -2.82 8.56 0.00 -0.64 -4.99 120.51 115.63 3i8f n ALA 40 Ca 0.12 -0.76 -0.29 0.00 0.00 0.00 0.00 53.44 52.51 3i8f n ALA 40 Cb 0.51 0.39 -0.03 0.00 0.00 0.00 0.00 19.45 20.33 3i8f n ALA 40 CO 0.00 0.00 0.00 0.91 0.00 0.00 0.00 177.50 178.41 3i8f n TRP 41 N -0.58 3.82 -1.60 0.00 8.01 -1.26 -1.55 117.44 124.27 3i8f n TRP 41 Ca -0.01 -3.69 -0.64 0.00 -1.31 0.00 0.00 57.50 51.86 3i8f n TRP 41 Cb 0.45 -0.51 -0.10 0.00 -2.01 0.00 0.00 31.31 29.14 3i8f n TRP 41 CO 0.00 0.00 0.00 -0.89 -1.01 0.00 0.00 177.69 175.79 3i8f n ILE 42 N -0.27 0.00 -2.95 -0.99 -0.00 -1.06 -4.14 119.36 109.94 3i8f n ILE 42 Ca 0.34 0.00 -0.36 0.00 -0.00 0.00 0.00 62.75 62.73 3i8f n ILE 42 Cb 0.42 -0.47 -0.06 0.00 -0.00 0.00 0.00 39.64 39.52 3i8f n ILE 42 CO 0.00 0.00 0.00 0.42 -0.00 0.00 0.00 176.55 176.97 3i8f s THR 43 N 3.18 4.42 0.36 1.39 -4.23 -1.26 -0.76 115.64 118.75 3i8f s THR 43 Ca 1.01 1.50 0.18 0.00 -1.18 0.00 0.00 61.69 63.20 3i8f s THR 43 Cb -1.42 -3.88 0.36 0.00 1.34 0.00 0.00 72.50 68.89 3i8f s THR 43 CO 0.76 0.12 1.65 0.00 -0.54 0.00 0.00 174.62 176.60 3i8f h ALA 44 N 3.13 2.13 0.00 3.99 0.00 -1.61 1.00 119.26 127.90 3i8f h ALA 44 Ca -0.47 0.19 -0.07 0.00 0.00 0.00 0.00 54.91 54.55 3i8f h ALA 44 Cb 1.19 0.19 -0.01 0.00 0.00 0.00 0.00 17.79 19.16 3i8f h ALA 44 CO 0.65 -0.77 -0.33 -0.56 0.00 0.00 0.00 179.25 178.24 3i8f h GLN 45 N 0.23 0.00 0.00 0.00 -0.00 -1.91 -2.16 115.11 111.28 3i8f h GLN 45 Ca 0.76 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 59.41 3i8f h GLN 45 Cb 1.91 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 29.39 3i8f h GLN 45 CO -0.59 0.33 0.00 1.04 -0.00 0.00 0.00 178.83 179.61 3i8f n GLN 46 N -4.09 0.00 -0.20 0.06 6.02 0.34 -2.03 117.38 117.48 3i8f n GLN 46 Ca -0.02 0.40 0.11 0.00 -0.01 0.00 0.00 57.00 57.48 3i8f n GLN 46 Cb 0.38 -1.05 0.21 0.00 1.02 0.00 0.00 30.24 30.80 3i8f n GLN 46 CO 0.00 0.00 0.00 -0.89 -1.01 0.00 0.00 177.06 175.16 3i8f n ILE 47 N -1.69 -0.25 0.29 5.09 5.41 -0.80 0.67 119.36 128.07 3i8f n ILE 47 Ca 0.00 1.28 -0.11 0.00 1.00 0.00 0.00 62.75 64.91 3i8f n ILE 47 Cb 0.00 -1.91 -0.05 0.00 -0.71 0.00 0.00 39.64 36.96 3i8f n ILE 47 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 176.55 176.47 3i8f h GLU 48 N 0.00 -0.72 0.00 0.38 4.57 -1.47 -0.07 114.58 117.27 3i8f h GLU 48 Ca 0.39 0.05 0.00 0.00 -1.18 0.00 0.00 59.36 58.62 3i8f h GLU 48 Cb 0.87 0.16 0.00 0.00 -0.16 0.00 0.00 28.75 29.62 3i8f h GLU 48 CO -0.53 -0.48 0.38 0.00 -1.18 0.00 0.00 179.01 177.20 3i8f n ALA 49 N -2.49 0.50 -0.07 2.92 0.00 0.21 -0.04 120.51 121.54 3i8f n ALA 49 Ca -0.09 0.10 -0.21 0.00 0.00 0.00 0.00 53.44 53.24 3i8f n ALA 49 Cb 0.29 -0.63 -0.13 0.00 0.00 0.00 0.00 19.45 18.99 3i8f n ALA 49 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3i8f n ALA 50 N -1.50 1.14 0.03 0.00 0.00 -0.26 -3.51 120.51 116.42 3i8f n ALA 50 Ca -0.01 -0.85 -0.01 0.00 0.00 0.00 0.00 53.44 52.58 3i8f n ALA 50 Cb 0.40 -0.36 -0.01 0.00 0.00 0.00 0.00 19.45 19.49 3i8f n ALA 50 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 3i8f h ARG 51 N -0.13 -0.07 -0.08 0.00 2.43 0.15 -2.25 114.38 114.43 3i8f h ARG 51 Ca -0.51 0.00 0.02 0.00 -0.81 0.00 0.00 59.98 58.69 3i8f h ARG 51 Cb 1.89 0.02 -0.00 0.00 -0.42 0.00 0.00 29.97 31.45 3i8f h ARG 51 CO -0.05 -0.05 0.82 -0.24 -1.51 0.00 0.00 179.97 178.94 3i8f h VAL 52 N -0.08 0.01 0.44 0.20 3.04 -1.34 0.12 116.25 118.64 3i8f h VAL 52 Ca -0.01 0.00 -0.02 0.00 -1.01 0.00 0.00 66.70 65.66 3i8f h VAL 52 Cb 0.06 0.20 0.00 0.00 -2.01 0.00 0.00 31.29 29.54 3i8f h VAL 52 CO 0.01 0.00 -0.21 0.00 -1.01 0.00 0.00 177.57 176.36 3i8f h ALA 53 N 0.44 -0.64 0.31 3.17 0.00 -1.45 -3.05 119.26 118.05 3i8f h ALA 53 Ca 0.04 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.82 3i8f h ALA 53 Cb 1.67 0.23 -0.03 0.00 0.00 0.00 0.00 17.79 19.66 3i8f h ALA 53 CO -0.00 -0.59 -0.50 0.52 0.00 0.00 0.00 179.25 178.68 3i8f h MET 54 N -1.05 -0.83 -0.87 0.00 2.86 -0.44 0.45 114.93 115.04 3i8f h MET 54 Ca -0.06 0.06 0.36 0.00 -2.06 0.00 0.00 59.70 58.00 3i8f h MET 54 Cb 0.45 0.19 -0.16 0.00 0.06 0.00 0.00 31.60 32.14 3i8f h MET 54 CO 0.10 -0.55 0.46 1.55 1.06 0.00 0.00 176.91 179.52 3i8f n VAL 55 N -5.52 -0.37 0.14 -2.22 3.14 -0.92 0.15 118.33 112.74 3i8f n VAL 55 Ca -0.10 1.77 -0.24 0.00 -2.96 0.00 0.00 64.34 62.81 3i8f n VAL 55 Cb 0.43 -2.87 -0.16 0.00 -1.06 0.00 0.00 33.84 30.18 3i8f n VAL 55 CO 0.00 0.00 0.00 -0.09 -6.46 0.00 0.00 176.83 170.28 3i8f h ARG 56 N 0.00 0.53 0.00 1.45 9.65 -1.10 -3.28 114.38 121.63 3i8f h ARG 56 Ca 0.73 -0.90 0.00 0.00 -1.10 0.00 0.00 59.98 58.71 3i8f h ARG 56 Cb 1.94 0.34 0.00 0.00 -1.39 0.00 0.00 29.97 30.85 3i8f h ARG 56 CO -0.68 1.43 0.00 1.58 2.80 0.00 0.00 179.97 185.11 3i8f n HIS 57 N -3.70 0.00 -3.00 2.20 -0.00 0.40 -1.57 115.22 109.55 3i8f n HIS 57 Ca -0.17 0.00 -0.43 0.00 0.46 0.00 0.00 57.72 57.58 3i8f n HIS 57 Cb 1.10 -0.46 0.01 0.00 -0.12 0.00 0.00 29.99 30.53 3i8f n HIS 57 CO 0.00 0.00 0.00 1.97 0.46 0.00 0.00 176.34 178.77 3i8f n PHE 58 N -2.88 2.91 -1.37 1.57 1.16 -1.07 -5.02 117.46 112.75 3i8f n PHE 58 Ca 0.00 -2.85 -0.46 0.00 -1.87 0.00 0.00 57.45 52.27 3i8f n PHE 58 Cb 0.00 -1.42 -0.02 0.00 -1.61 0.00 0.00 39.48 36.43 3i8f n PHE 58 CO 0.00 0.00 0.00 2.89 -1.87 0.00 0.00 176.76 177.78 3i8f n ARG 59 N 1.88 0.01 -2.76 3.97 1.85 -0.61 -1.12 116.66 119.88 3i8f n ARG 59 Ca 0.27 0.00 -0.07 0.00 -1.00 0.00 0.00 57.85 57.05 3i8f n ARG 59 Cb 0.35 -1.01 0.02 0.00 -1.05 0.00 0.00 32.46 30.77 3i8f n ARG 59 CO 0.00 0.00 0.00 0.54 -0.01 0.00 0.00 177.63 178.16 3i8f n ARG 60 N 1.11 -2.29 0.00 2.89 5.12 -1.26 -5.01 116.66 117.21 3i8f n ARG 60 Ca 0.16 0.27 0.00 0.00 -1.93 0.00 0.00 57.85 56.35 3i8f n ARG 60 Cb 0.30 -3.65 0.00 0.00 -1.16 0.00 0.00 32.46 27.95 3i8f n ARG 60 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 3i8f n GLY 61 N -0.99 0.00 0.00 -0.13 0.00 -0.27 -5.09 105.19 98.72 3i8f n GLY 61 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.01 3i8f n GLY 61 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i8f n GLY 62 N 0.00 2.60 3.22 -0.02 0.00 -1.26 -5.01 105.19 104.72 3i8f n GLY 62 Ca 0.00 -0.20 -0.29 0.00 0.00 0.00 0.00 46.02 45.53 3i8f n GLY 62 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3i8f s LYS 63 N 2.09 2.19 -0.10 1.61 2.47 -0.97 -5.00 119.74 122.03 3i8f s LYS 63 Ca 0.00 -0.79 0.01 0.00 -1.56 0.00 0.00 55.97 53.62 3i8f s LYS 63 Cb 0.00 -1.90 0.02 0.00 -1.46 0.00 0.00 37.83 34.49 3i8f s LYS 63 CO 0.00 0.35 -0.11 0.42 0.16 0.00 0.00 175.35 176.18 3i8f s ILE 64 N -0.15 1.18 -0.41 5.43 1.01 -1.26 -2.20 121.20 124.79 3i8f s ILE 64 Ca -0.02 -0.43 -0.05 0.00 0.00 0.00 0.00 60.65 60.15 3i8f s ILE 64 Cb -0.12 -1.13 0.10 0.00 0.01 0.00 0.00 42.46 41.31 3i8f s ILE 64 CO 0.03 0.38 0.22 -0.36 0.00 0.00 0.00 174.94 175.21 3i8f s PHE 65 N 1.29 3.47 0.26 3.97 0.08 0.51 -4.99 117.98 122.58 3i8f s PHE 65 Ca -0.02 -2.06 -0.02 0.00 0.12 0.00 0.00 56.93 54.95 3i8f s PHE 65 Cb -0.14 -3.11 0.44 0.00 -0.57 0.00 0.00 43.02 39.64 3i8f s PHE 65 CO -0.04 -0.93 1.84 -0.84 -0.10 0.00 0.00 175.22 175.15 3i8f h ILE 66 N 6.26 0.98 0.00 0.64 3.07 -1.91 -2.47 117.51 124.09 3i8f h ILE 66 Ca -0.18 -0.34 0.00 0.00 1.55 0.00 0.00 64.86 65.90 3i8f h ILE 66 Cb 1.06 -0.09 0.00 0.00 -0.27 0.00 0.00 36.82 37.52 3i8f h ILE 66 CO 0.73 0.18 0.00 0.54 -1.05 0.00 0.00 178.15 178.55 3i8f n ARG 67 N -4.62 0.00 -4.17 0.16 1.74 -1.26 -3.41 116.66 105.09 3i8f n ARG 67 Ca 0.16 0.00 -0.17 0.00 -0.77 0.00 0.00 57.85 57.07 3i8f n ARG 67 Cb 0.26 -3.09 -0.12 0.00 -1.02 0.00 0.00 32.46 28.49 3i8f n ARG 67 CO 0.00 0.00 0.00 0.96 -1.52 0.00 0.00 177.63 177.07 3i8f s ILE 68 N -0.72 1.05 -0.03 0.55 -4.36 -1.26 -4.97 121.20 111.46 3i8f s ILE 68 Ca 0.00 -1.42 -0.01 0.00 -0.26 0.00 0.00 60.65 58.96 3i8f s ILE 68 Cb 0.00 -1.16 0.02 0.00 1.25 0.00 0.00 42.46 42.58 3i8f s ILE 68 CO 0.00 -0.34 0.07 0.12 0.24 0.00 0.00 174.94 175.02 3i8f s PHE 69 N -1.67 -0.05 -0.90 1.37 5.36 -1.26 -4.63 117.98 116.20 3i8f s PHE 69 Ca 0.00 0.22 -0.23 0.00 -0.96 0.00 0.00 56.93 55.96 3i8f s PHE 69 Cb -0.08 -0.10 0.06 0.00 -0.34 0.00 0.00 43.02 42.56 3i8f s PHE 69 CO 0.02 -0.08 1.31 -1.25 -1.46 0.00 0.00 175.22 173.76 3i8f s PRO 70 N 0.70 3.44 -0.00 10.12 0.04 -1.26 -4.53 135.00 143.51 3i8f s PRO 70 Ca -0.06 -0.96 0.10 0.00 0.04 0.00 0.00 61.00 60.13 3i8f s PRO 70 Cb -0.08 -4.88 -0.13 0.00 0.04 0.00 0.00 34.50 29.45 3i8f s PRO 70 CO -0.03 -2.09 0.38 -0.40 0.04 0.00 0.00 177.00 174.90 3i8f n ASP 71 N 8.57 1.09 -4.60 6.66 5.75 -0.90 -4.17 116.55 128.95 3i8f n ASP 71 Ca 0.20 -0.53 -0.43 0.00 -0.01 0.00 0.00 54.79 54.03 3i8f n ASP 71 Cb 0.50 1.14 -0.04 0.00 -1.03 0.00 0.00 41.12 41.69 3i8f n ASP 71 CO 0.00 0.00 0.00 -0.75 -0.11 0.00 0.00 177.20 176.34 3i8f s LYS 72 N -2.21 3.79 0.72 0.11 2.20 -1.06 -4.92 119.74 118.37 3i8f s LYS 72 Ca 0.02 0.51 -0.16 0.00 -0.36 0.00 0.00 55.97 55.98 3i8f s LYS 72 Cb 0.08 -3.83 0.02 0.00 -1.51 0.00 0.00 37.83 32.58 3i8f s LYS 72 CO 0.43 -1.01 1.06 -2.30 -0.36 0.00 0.00 175.35 173.17 3i8f n PRO 73 N 6.88 0.55 -3.88 4.03 -0.02 -1.26 -1.51 135.00 139.79 3i8f n PRO 73 Ca 0.07 0.25 -0.30 0.00 -2.02 0.00 0.00 63.50 61.50 3i8f n PRO 73 Cb 0.48 -2.31 -0.16 0.00 -0.02 0.00 0.00 33.50 31.50 3i8f n PRO 73 CO 0.00 0.00 0.00 -0.47 1.98 0.00 0.00 175.50 177.01 3i8f s TYR 74 N -1.80 2.17 0.46 6.00 5.04 -0.91 -4.74 117.35 123.57 3i8f s TYR 74 Ca 0.75 -1.69 -0.06 0.00 -2.44 0.00 0.00 57.07 53.63 3i8f s TYR 74 Cb -0.34 -1.60 -0.04 0.00 0.35 0.00 0.00 41.96 40.32 3i8f s TYR 74 CO 0.49 -0.77 0.77 0.95 -1.34 0.00 0.00 175.55 175.64 3i8f s THR 75 N 1.47 4.91 -0.30 4.34 -4.23 -1.26 0.21 115.64 120.77 3i8f s THR 75 Ca -0.02 0.22 -0.13 0.00 -1.18 0.00 0.00 61.69 60.58 3i8f s THR 75 Cb -0.18 -3.85 0.17 0.00 1.34 0.00 0.00 72.50 69.99 3i8f s THR 75 CO -0.09 -0.78 1.01 -0.75 -0.54 0.00 0.00 174.62 173.47 3i8f s LYS 76 N -4.58 0.25 0.43 3.99 2.20 -1.26 -4.78 119.74 115.99 3i8f s LYS 76 Ca 0.47 0.52 -0.25 0.00 -0.36 0.00 0.00 55.97 56.35 3i8f s LYS 76 Cb -0.10 0.30 -0.09 0.00 -1.51 0.00 0.00 37.83 36.43 3i8f s LYS 76 CO 0.42 -0.18 1.32 1.63 -0.36 0.00 0.00 175.35 178.18 3i8f n LYS 77 N 5.21 2.03 -0.53 4.03 5.02 -1.26 -3.96 118.16 128.70 3i8f n LYS 77 Ca -0.07 0.72 0.44 0.00 -2.02 0.00 0.00 58.31 57.38 3i8f n LYS 77 Cb 0.53 -2.46 0.75 0.00 -0.02 0.00 0.00 35.03 33.83 3i8f n LYS 77 CO 0.00 0.00 0.00 -1.35 -0.52 0.00 0.00 177.40 175.53 3i8f h PRO 78 N 2.15 0.04 0.00 1.97 0.11 -2.00 -3.43 132.00 130.84 3i8f h PRO 78 Ca -0.49 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.62 3i8f h PRO 78 Cb 1.29 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.39 3i8f h PRO 78 CO 0.60 0.02 0.00 1.28 -0.21 0.00 0.00 178.00 179.70 3i8f n LEU 79 N -4.24 0.00 0.00 2.35 4.77 -1.26 -5.16 117.00 113.46 3i8f n LEU 79 Ca 0.38 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.36 3i8f n LEU 79 Cb 1.64 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 42.73 3i8f n LEU 79 CO 0.36 0.00 0.00 -0.62 -1.33 0.00 0.00 177.39 175.80 3i8f n GLU 80 N 0.00 0.00 0.00 3.23 -0.58 -1.26 -5.18 120.64 116.85 3i8f n GLU 80 Ca 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.74 3i8f n GLU 80 Cb 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 30.87 3i8f n GLU 80 CO 0.00 0.00 0.00 0.28 -0.48 0.00 0.00 177.13 176.93 3i8f n VAL 81 N 0.00 0.00 -2.68 2.62 0.31 -1.26 -5.10 118.33 112.22 3i8f n VAL 81 Ca 0.00 0.00 -0.02 0.00 -0.01 0.00 0.00 64.34 64.31 3i8f n VAL 81 Cb 0.00 -0.34 0.12 0.00 -0.91 0.00 0.00 33.84 32.72 3i8f n VAL 81 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 3i8f n ARG 82 N 0.00 1.39 -3.33 5.55 5.12 -1.26 -5.09 116.66 119.04 3i8f n ARG 82 Ca 0.00 -1.37 -0.39 0.00 -1.93 0.00 0.00 57.85 54.15 3i8f n ARG 82 Cb 0.00 0.29 -0.03 0.00 -1.16 0.00 0.00 32.46 31.56 3i8f n ARG 82 CO 0.00 0.00 0.00 -1.33 -1.93 0.00 0.00 177.63 174.37 3i8f n MET 83 N -1.47 3.46 0.00 5.56 2.81 -1.26 -5.00 117.12 121.22 3i8f n MET 83 Ca -0.16 -4.53 0.00 0.00 -1.81 0.00 0.00 57.70 51.20 3i8f n MET 83 Cb 0.87 -2.46 0.00 0.00 -0.71 0.00 0.00 33.22 30.93 3i8f n MET 83 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3i8f n GLY 84 N 1.87 2.11 3.79 3.03 0.00 -1.26 -5.04 105.19 109.69 3i8f n GLY 84 Ca 0.25 -2.05 -0.35 0.00 0.00 0.00 0.00 46.02 43.87 3i8f n GLY 84 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3i8f s LYS 85 N -2.19 3.65 0.07 1.61 2.20 -1.26 -4.91 119.74 118.90 3i8f s LYS 85 Ca 0.00 1.50 -0.37 0.00 -0.36 0.00 0.00 55.97 56.74 3i8f s LYS 85 Cb 0.00 -2.11 -0.19 0.00 -1.51 0.00 0.00 37.83 34.02 3i8f s LYS 85 CO 0.00 -0.58 1.02 0.41 -0.36 0.00 0.00 175.35 175.83 3i8f n GLY 86 N 0.00 -0.41 0.59 5.54 0.00 -1.26 -4.75 105.19 104.90 3i8f n GLY 86 Ca 0.10 0.65 0.44 0.00 0.00 0.00 0.00 46.02 47.21 3i8f n GLY 86 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 3i8f h LYS 87 N 2.87 0.04 -2.63 1.61 1.63 -1.91 -3.41 116.57 114.76 3i8f h LYS 87 Ca -0.46 -0.00 0.05 0.00 -0.85 0.00 0.00 60.65 59.39 3i8f h LYS 87 Cb 1.41 -0.01 -0.03 0.00 -0.60 0.00 0.00 32.23 33.01 3i8f h LYS 87 CO 0.66 0.02 -0.49 0.41 -3.45 0.00 0.00 179.45 176.60 3i8f n GLY 88 N -1.76 -1.76 2.61 5.01 0.00 -1.25 -4.72 105.19 103.31 3i8f n GLY 88 Ca 0.38 -0.40 0.00 0.00 0.00 0.00 0.00 46.02 45.99 3i8f n GLY 88 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3i8f n ASN 89 N -2.70 0.00 -0.11 1.61 5.03 0.56 -4.80 115.26 114.85 3i8f n ASN 89 Ca -0.01 0.00 0.16 0.00 0.87 0.00 0.00 54.58 55.60 3i8f n ASN 89 Cb 0.25 0.00 0.24 0.00 -1.02 0.00 0.00 39.78 39.26 3i8f n ASN 89 CO 0.00 0.00 0.00 0.52 -1.83 0.00 0.00 177.26 175.95 3i8f n VAL 90 N -2.00 0.00 -0.57 2.41 0.31 -1.26 -0.27 118.33 116.95 3i8f n VAL 90 Ca 0.00 0.76 0.00 0.00 -0.01 0.00 0.00 64.34 65.09 3i8f n VAL 90 Cb 0.00 -1.38 0.00 0.00 -0.91 0.00 0.00 33.84 31.55 3i8f n VAL 90 CO 0.00 0.00 0.00 -1.84 -1.32 0.00 0.00 176.83 173.67 3i8f n GLU 91 N -2.43 0.00 0.00 5.55 -0.00 -1.26 -5.15 120.64 117.35 3i8f n GLU 91 Ca 0.13 0.00 0.00 0.00 -0.00 0.00 0.00 57.16 57.29 3i8f n GLU 91 Cb 0.92 -0.17 0.00 0.00 -0.00 0.00 0.00 31.44 32.20 3i8f n GLU 91 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 3i8f n GLY 92 N 0.00 0.79 3.51 -1.84 0.00 0.63 -4.91 105.19 103.36 3i8f n GLY 92 Ca 0.00 -1.74 -0.24 0.00 0.00 0.00 0.00 46.02 44.04 3i8f n GLY 92 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3i8f s TYR 93 N -3.32 2.22 0.33 1.61 1.51 -1.26 -2.15 117.35 116.29 3i8f s TYR 93 Ca 0.00 -0.65 0.05 0.00 -1.01 0.00 0.00 57.07 55.47 3i8f s TYR 93 Cb 0.00 -1.35 -0.03 0.00 -0.11 0.00 0.00 41.96 40.47 3i8f s TYR 93 CO 0.00 0.39 0.22 0.14 -1.11 0.00 0.00 175.55 175.20 3i8f s VAL 94 N -2.84 0.14 -0.10 0.71 -7.23 -0.57 -1.55 120.40 108.96 3i8f s VAL 94 Ca 0.32 -2.00 -0.00 0.00 -1.81 0.00 0.00 61.98 58.49 3i8f s VAL 94 Cb 0.05 -2.47 0.02 0.00 0.56 0.00 0.00 36.38 34.55 3i8f s VAL 94 CO 0.15 0.00 -0.07 0.00 -0.31 0.00 0.00 175.10 174.87 3i8f s ALA 95 N -3.48 1.21 -0.55 1.32 0.00 0.06 -2.12 121.76 118.19 3i8f s ALA 95 Ca 0.37 -0.45 -0.26 0.00 0.00 0.00 0.00 51.96 51.61 3i8f s ALA 95 Cb 0.03 -0.83 -0.04 0.00 0.00 0.00 0.00 23.12 22.28 3i8f s ALA 95 CO 0.23 -0.35 2.04 0.08 0.00 0.00 0.00 175.76 177.77 3i8f s VAL 96 N 1.59 3.24 -0.45 0.00 1.01 -1.26 -2.56 120.40 121.97 3i8f s VAL 96 Ca 0.02 0.15 -0.08 0.00 0.00 0.00 0.00 61.98 62.07 3i8f s VAL 96 Cb -0.13 -3.61 0.11 0.00 0.00 0.00 0.00 36.38 32.75 3i8f s VAL 96 CO -0.06 -0.58 0.29 -0.69 0.00 0.00 0.00 175.10 174.06 3i8f s VAL 97 N 10.01 3.99 0.76 2.92 1.01 -0.60 -4.99 120.40 133.51 3i8f s VAL 97 Ca 0.78 -1.77 -0.07 0.00 0.00 0.00 0.00 61.98 60.93 3i8f s VAL 97 Cb -0.15 -3.61 0.12 0.00 0.00 0.00 0.00 36.38 32.74 3i8f s VAL 97 CO 0.23 -0.70 1.07 -0.54 0.00 0.00 0.00 175.10 175.17 3i8f s LYS 98 N 1.32 1.66 -0.27 2.72 1.02 -1.26 -1.62 119.74 123.31 3i8f s LYS 98 Ca 0.06 -0.61 -0.29 0.00 0.02 0.00 0.00 55.97 55.15 3i8f s LYS 98 Cb -0.25 -2.16 -0.02 0.00 -0.52 0.00 0.00 37.83 34.88 3i8f s LYS 98 CO -0.01 -1.57 1.69 -1.25 -0.92 0.00 0.00 175.35 173.29 3i8f s PRO 99 N -5.34 3.61 0.00 -1.68 0.04 -1.26 -2.94 135.00 127.43 3i8f s PRO 99 Ca 0.65 1.56 0.00 0.00 0.04 0.00 0.00 61.00 63.26 3i8f s PRO 99 Cb -0.07 -4.10 0.00 0.00 0.04 0.00 0.00 34.50 30.37 3i8f s PRO 99 CO 0.46 -1.52 0.00 0.41 0.04 0.00 0.00 177.00 176.39 3i8f n GLY 100 N 4.99 1.07 3.34 0.56 0.00 0.21 -2.39 105.19 112.97 3i8f n GLY 100 Ca 0.20 -0.08 -0.31 0.00 0.00 0.00 0.00 46.02 45.83 3i8f n GLY 100 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 3i8f n ARG 101 N 0.00 -1.67 -3.70 1.61 3.00 -1.15 -4.51 116.66 110.24 3i8f n ARG 101 Ca 0.00 -0.47 -0.18 0.00 -0.00 0.00 0.00 57.85 57.20 3i8f n ARG 101 Cb 0.00 -1.83 -0.17 0.00 0.00 0.00 0.00 32.46 30.46 3i8f n ARG 101 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.63 177.71 3i8f s VAL 102 N -2.29 -0.10 0.27 5.15 1.01 -1.26 -0.83 120.40 122.35 3i8f s VAL 102 Ca 0.59 0.37 0.07 0.00 0.00 0.00 0.00 61.98 63.00 3i8f s VAL 102 Cb -0.16 -0.14 -0.03 0.00 0.00 0.00 0.00 36.38 36.05 3i8f s VAL 102 CO 0.66 0.15 0.26 -0.04 0.00 0.00 0.00 175.10 176.13 3i8f s MET 103 N 1.86 3.00 1.07 2.72 1.00 -0.92 -4.63 119.30 123.41 3i8f s MET 103 Ca 0.01 -1.04 0.00 0.00 0.00 0.00 0.00 55.69 54.66 3i8f s MET 103 Cb -0.12 -2.63 0.00 0.00 0.00 0.00 0.00 34.83 32.08 3i8f s MET 103 CO -0.03 0.33 0.00 1.19 0.00 0.00 0.00 175.02 176.51 3i8f n PHE 104 N -1.29 0.00 -2.58 -0.03 3.01 -0.93 -3.03 117.46 112.62 3i8f n PHE 104 Ca -0.07 0.00 -0.01 0.00 1.01 0.00 0.00 57.45 58.38 3i8f n PHE 104 Cb 0.58 0.00 -0.01 0.00 -0.01 0.00 0.00 39.48 40.04 3i8f n PHE 104 CO 0.00 0.00 0.00 -0.85 1.01 0.00 0.00 176.76 176.92 3i8f n GLU 105 N 0.00 -1.97 -1.37 -1.08 0.28 -1.25 -0.36 120.64 114.89 3i8f n GLU 105 Ca 0.00 1.57 -0.07 0.00 -0.16 0.00 0.00 57.16 58.50 3i8f n GLU 105 Cb 0.00 -1.94 0.03 0.00 1.43 0.00 0.00 31.44 30.96 3i8f n GLU 105 CO 0.00 0.00 0.00 1.33 -0.16 0.00 0.00 177.13 178.30 3i8f n VAL 106 N 2.15 0.00 -3.64 3.84 0.24 0.47 -2.75 118.33 118.64 3i8f n VAL 106 Ca -0.07 -0.53 0.01 0.00 -2.04 0.00 0.00 64.34 61.71 3i8f n VAL 106 Cb 0.11 -1.09 -0.00 0.00 -1.47 0.00 0.00 33.84 31.39 3i8f n VAL 106 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3i8f s ALA 107 N -2.63 -2.20 -0.44 2.33 0.00 -0.94 0.96 121.76 118.85 3i8f s ALA 107 Ca 0.20 0.63 0.00 0.00 0.00 0.00 0.00 51.96 52.79 3i8f s ALA 107 Cb -0.01 0.40 0.00 0.00 0.00 0.00 0.00 23.12 23.50 3i8f s ALA 107 CO 0.13 -1.06 0.00 0.41 0.00 0.00 0.00 175.76 175.24 3i8f n GLY 108 N -0.50 0.44 3.45 0.00 0.00 -1.26 -2.29 105.19 105.03 3i8f n GLY 108 Ca -0.08 -0.77 -0.10 0.00 0.00 0.00 0.00 46.02 45.07 3i8f n GLY 108 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3i8f s VAL 109 N -2.20 0.04 0.05 1.61 1.01 -1.26 -4.80 120.40 114.85 3i8f s VAL 109 Ca 0.00 -0.80 -0.33 0.00 0.00 0.00 0.00 61.98 60.85 3i8f s VAL 109 Cb 0.00 -1.52 -0.12 0.00 0.00 0.00 0.00 36.38 34.75 3i8f s VAL 109 CO 0.00 -0.18 1.79 0.35 0.00 0.00 0.00 175.10 177.06 3i8f n THR 110 N -0.30 0.37 -0.24 3.92 -2.24 -1.26 -4.75 114.28 109.77 3i8f n THR 110 Ca -0.11 -0.07 0.32 0.00 -2.27 0.00 0.00 64.05 61.92 3i8f n THR 110 Cb 0.63 -1.88 0.74 0.00 -2.10 0.00 0.00 70.33 67.72 3i8f n THR 110 CO 0.00 0.00 0.00 1.05 -0.57 0.00 0.00 175.07 175.55 3i8f h GLU 111 N 8.21 0.00 -0.07 -0.78 4.11 -2.00 0.16 114.58 124.21 3i8f h GLU 111 Ca -0.47 0.00 0.01 0.00 0.07 0.00 0.00 59.36 58.97 3i8f h GLU 111 Cb 1.25 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.49 3i8f h GLU 111 CO 0.93 0.00 -0.11 0.93 0.07 0.00 0.00 179.01 180.83 3i8f h GLU 112 N 0.00 -0.09 0.25 1.06 4.39 -2.00 0.44 114.58 118.64 3i8f h GLU 112 Ca 0.49 0.01 -0.00 0.00 0.34 0.00 0.00 59.36 60.20 3i8f h GLU 112 Cb 2.00 0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 30.65 3i8f h GLU 112 CO -0.01 -0.06 -0.21 1.96 -1.16 0.00 0.00 179.01 179.54 3i8f h GLN 113 N -0.09 -0.46 -0.86 2.33 7.50 -1.14 -2.51 115.11 119.88 3i8f h GLN 113 Ca 0.01 0.03 0.13 0.00 0.50 0.00 0.00 58.65 59.33 3i8f h GLN 113 Cb 0.12 0.10 -0.14 0.00 0.05 0.00 0.00 27.48 27.62 3i8f h GLN 113 CO -0.11 -0.31 -0.39 0.00 -1.50 0.00 0.00 178.83 176.53 3i8f h ALA 114 N 0.22 0.04 -0.86 3.87 0.00 -0.72 0.37 119.26 122.19 3i8f h ALA 114 Ca -0.01 0.23 0.06 0.00 0.00 0.00 0.00 54.91 55.19 3i8f h ALA 114 Cb 0.43 0.97 -0.06 0.00 0.00 0.00 0.00 17.79 19.12 3i8f h ALA 114 CO -0.02 -0.67 0.53 1.98 0.00 0.00 0.00 179.25 181.07 3i8f h MET 115 N -0.06 0.93 0.00 0.00 -1.53 0.09 0.13 114.93 114.49 3i8f h MET 115 Ca 0.30 -0.06 0.00 0.00 -3.44 0.00 0.00 59.70 56.50 3i8f h MET 115 Cb 0.57 -0.21 0.00 0.00 -0.55 0.00 0.00 31.60 31.41 3i8f h MET 115 CO -0.88 0.61 0.00 1.49 0.14 0.00 0.00 176.91 178.27 3i8f h GLU 116 N 0.96 0.00 0.00 0.39 4.57 -0.01 -2.68 114.58 117.81 3i8f h GLU 116 Ca 0.38 0.00 -0.09 0.00 -1.18 0.00 0.00 59.36 58.47 3i8f h GLU 116 Cb 0.19 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 28.76 3i8f h GLU 116 CO -0.18 0.00 -0.53 0.00 -1.18 0.00 0.00 179.01 177.12 3i8f h ALA 117 N 2.21 0.10 0.00 2.92 0.00 0.20 -3.25 119.26 121.45 3i8f h ALA 117 Ca 0.00 -0.73 0.00 0.00 0.00 0.00 0.00 54.91 54.18 3i8f h ALA 117 Cb 0.50 0.33 0.00 0.00 0.00 0.00 0.00 17.79 18.62 3i8f h ALA 117 CO 0.00 0.31 0.00 -0.07 0.00 0.00 0.00 179.25 179.49 3i8f h LEU 118 N -1.00 0.00 0.35 0.00 3.38 -1.11 -2.77 115.31 114.15 3i8f h LEU 118 Ca -0.13 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.82 3i8f h LEU 118 Cb 0.98 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.73 3i8f h LEU 118 CO -0.08 0.00 -0.17 -0.09 0.09 0.00 0.00 178.44 178.19 3i8f h ARG 119 N 0.00 -0.45 -0.26 1.13 2.43 -1.59 -2.84 114.38 112.80 3i8f h ARG 119 Ca 0.00 0.03 0.05 0.00 -0.81 0.00 0.00 59.98 59.25 3i8f h ARG 119 Cb 0.24 0.10 -0.08 0.00 -0.42 0.00 0.00 29.97 29.81 3i8f h ARG 119 CO 0.00 -0.15 -0.50 0.82 -1.51 0.00 0.00 179.97 178.63 3i8f h ILE 120 N -1.00 0.05 -1.22 1.20 1.08 -1.54 0.08 117.51 116.17 3i8f h ILE 120 Ca -0.05 0.00 0.37 0.00 -0.39 0.00 0.00 64.86 64.79 3i8f h ILE 120 Cb 0.50 0.05 -0.11 0.00 -3.07 0.00 0.00 36.82 34.19 3i8f h ILE 120 CO 0.08 0.00 0.79 0.00 -0.69 0.00 0.00 178.15 178.33 3i8f h ALA 121 N 0.01 2.58 -0.54 1.87 0.00 -1.58 0.36 119.26 121.97 3i8f h ALA 121 Ca 0.08 0.09 -0.10 0.00 0.00 0.00 0.00 54.91 54.97 3i8f h ALA 121 Cb 0.63 0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.54 3i8f h ALA 121 CO -0.50 -1.11 -0.08 0.78 0.00 0.00 0.00 179.25 178.34 3i8f h GLY 122 N 0.19 1.06 2.00 0.00 0.00 -0.72 -0.99 103.07 104.61 3i8f h GLY 122 Ca 0.73 -0.82 0.00 0.00 0.00 0.00 0.00 47.33 47.23 3i8f h GLY 122 CO -0.35 0.75 0.00 1.42 0.00 0.00 0.00 176.54 178.36 3i8f n HIS 123 N -4.16 0.00 0.77 5.60 -0.00 0.12 -0.22 115.22 117.35 3i8f n HIS 123 Ca 0.02 0.00 0.11 0.00 -0.00 0.00 0.00 57.72 57.85 3i8f n HIS 123 Cb 0.38 -0.50 -0.00 0.00 -0.00 0.00 0.00 29.99 29.87 3i8f n HIS 123 CO 0.00 0.00 0.00 1.63 -0.00 0.00 0.00 176.34 177.97 3i8f n LYS 124 N -1.50 0.15 -3.84 -0.41 4.76 -0.41 -4.91 118.16 111.99 3i8f n LYS 124 Ca 0.02 -0.02 -0.34 0.00 -2.87 0.00 0.00 58.31 55.11 3i8f n LYS 124 Cb 0.11 -1.53 -0.05 0.00 -1.84 0.00 0.00 35.03 31.71 3i8f n LYS 124 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 3i8f s LEU 125 N -3.44 4.37 0.00 -0.35 1.43 0.70 -4.92 118.68 116.46 3i8f s LEU 125 Ca 0.06 0.44 0.09 0.00 -1.03 0.00 0.00 54.13 53.69 3i8f s LEU 125 Cb 0.16 -2.62 0.55 0.00 0.03 0.00 0.00 46.19 44.30 3i8f s LEU 125 CO 0.82 0.26 1.00 -0.81 0.23 0.00 0.00 176.35 177.85 3i8f n PRO 126 N 1.05 0.50 -4.48 1.29 -0.04 -1.26 -4.77 135.00 127.29 3i8f n PRO 126 Ca -0.11 0.00 -0.28 0.00 -0.04 0.00 0.00 63.50 63.07 3i8f n PRO 126 Cb 0.53 -1.28 -0.07 0.00 -0.04 0.00 0.00 33.50 32.63 3i8f n PRO 126 CO 0.00 0.00 0.00 -0.89 -0.04 0.00 0.00 175.50 174.57 3i8f n ILE 127 N -0.78 0.00 -3.58 0.52 5.41 -1.26 -5.08 119.36 114.59 3i8f n ILE 127 Ca 0.07 -2.36 -0.36 0.00 1.00 0.00 0.00 62.75 61.10 3i8f n ILE 127 Cb 0.03 0.70 -0.07 0.00 -0.71 0.00 0.00 39.64 39.59 3i8f n ILE 127 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 176.55 176.01 3i8f s LYS 128 N -3.64 4.23 0.00 0.38 1.02 -1.26 -4.91 119.74 115.56 3i8f s LYS 128 Ca 0.12 0.02 0.00 0.00 0.02 0.00 0.00 55.97 56.13 3i8f s LYS 128 Cb 0.01 -3.43 0.00 0.00 -0.52 0.00 0.00 37.83 33.88 3i8f s LYS 128 CO 0.09 0.23 0.00 0.25 -0.92 0.00 0.00 175.35 175.00 3i8f n THR 129 N 3.63 0.00 0.00 2.17 -2.24 -1.26 -1.94 114.28 114.64 3i8f n THR 129 Ca -0.13 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.65 3i8f n THR 129 Cb 0.52 -1.37 0.00 0.00 -2.10 0.00 0.00 70.33 67.38 3i8f n THR 129 CO 0.00 0.00 0.00 1.17 -0.57 0.00 0.00 175.07 175.67 3i8f n LYS 130 N 0.00 0.00 -1.72 -0.78 4.81 -1.16 -4.63 118.16 114.68 3i8f n LYS 130 Ca 0.00 0.00 -0.63 0.00 -0.87 0.00 0.00 58.31 56.81 3i8f n LYS 130 Cb 0.00 0.00 -0.09 0.00 0.02 0.00 0.00 35.03 34.96 3i8f n LYS 130 CO 0.00 0.00 0.00 -0.89 1.17 0.00 0.00 177.40 177.68 3i8f n ILE 131 N 0.00 0.11 -3.66 3.15 5.41 -1.26 -3.76 119.36 119.36 3i8f n ILE 131 Ca 0.00 -0.02 -0.31 0.00 1.00 0.00 0.00 62.75 63.42 3i8f n ILE 131 Cb 0.00 -0.75 -0.04 0.00 -0.71 0.00 0.00 39.64 38.13 3i8f n ILE 131 CO 0.00 0.00 0.00 -0.69 0.00 0.00 0.00 176.55 175.86 3i8f s VAL 132 N 3.00 5.17 -0.04 1.39 1.01 -0.50 -4.96 120.40 125.47 3i8f s VAL 132 Ca 1.01 -0.05 -0.05 0.00 0.00 0.00 0.00 61.98 62.90 3i8f s VAL 132 Cb -1.32 -3.65 -0.03 0.00 0.00 0.00 0.00 36.38 31.39 3i8f s VAL 132 CO 0.74 -0.02 0.31 -0.09 0.00 0.00 0.00 175.10 176.04 3i8f h ARG 133 N 2.60 -0.18 0.00 2.72 1.12 -1.92 -2.94 114.38 115.79 3i8f h ARG 133 Ca -0.46 0.01 0.00 0.00 -1.11 0.00 0.00 59.98 58.42 3i8f h ARG 133 Cb 1.17 0.04 0.00 0.00 -0.01 0.00 0.00 29.97 31.17 3i8f h ARG 133 CO 0.71 -0.12 0.00 -2.13 -3.11 0.00 0.00 179.97 175.33 3i8f n ARG 134 N -3.71 0.00 -1.58 0.20 0.63 -1.26 -3.92 116.66 107.01 3i8f n ARG 134 Ca -0.02 0.00 -0.58 0.00 -0.92 0.00 0.00 57.85 56.33 3i8f n ARG 134 Cb 0.07 0.00 -0.08 0.00 0.45 0.00 0.00 32.46 32.91 3i8f n ARG 134 CO 0.00 0.00 0.00 -0.25 -2.51 0.00 0.00 177.63 174.87 3i8f n ASP 135 N 0.00 0.91 -2.79 6.15 9.92 -1.26 -4.75 116.55 124.74 3i8f n ASP 135 Ca 0.00 1.14 -0.13 0.00 -0.53 0.00 0.00 54.79 55.27 3i8f n ASP 135 Cb 0.00 -1.02 -0.04 0.00 -0.64 0.00 0.00 41.12 39.42 3i8f n ASP 135 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 3i8f n ALA 136 N 2.53 3.85 -0.13 2.24 0.00 -1.26 -3.78 120.51 123.96 3i8f n ALA 136 Ca 0.22 -1.33 -0.26 0.00 0.00 0.00 0.00 53.44 52.07 3i8f n ALA 136 Cb 0.10 -2.66 -0.11 0.00 0.00 0.00 0.00 19.45 16.79 3i8f n ALA 136 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 3i8f n TYR 137 N 3.70 0.08 0.00 0.00 4.01 -1.26 -5.06 117.16 118.64 3i8f n TYR 137 Ca 0.30 0.03 0.00 0.00 -0.16 0.00 0.00 57.90 58.07 3i8f n TYR 137 Cb 0.24 -1.01 0.00 0.00 -0.31 0.00 0.00 39.34 38.26 3i8f n TYR 137 CO 0.00 0.00 0.00 -0.40 -0.46 0.00 0.00 176.86 176.00 3i8f n ASP 138 N -3.96 0.00 0.00 7.72 3.85 -1.25 -4.93 116.55 117.98 3i8f n ASP 138 Ca -0.51 0.00 0.00 0.00 -0.71 0.00 0.00 54.79 53.57 3i8f n ASP 138 Cb 0.91 0.00 0.00 0.00 -1.35 0.00 0.00 41.12 40.68 3i8f n ASP 138 CO 0.00 0.00 0.00 -0.62 -1.01 0.00 0.00 177.20 175.57 3i8f n GLU 139 N 0.69 0.00 -1.18 0.11 -0.58 -1.26 -4.45 120.64 113.97 3i8f n GLU 139 Ca 0.00 0.00 -0.24 0.00 -0.42 0.00 0.00 57.16 56.50 3i8f n GLU 139 Cb 0.00 -0.11 -0.11 0.00 -0.57 0.00 0.00 31.44 30.64 3i8f n GLU 139 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3i8f n ALA 140 N -3.00 0.41 0.00 0.62 0.00 -1.26 -5.28 120.51 112.00 3i8f n ALA 140 Ca 0.00 -2.33 0.00 0.00 0.00 0.00 0.00 53.44 51.11 3i8f n ALA 140 Cb 0.00 -3.35 0.00 0.00 0.00 0.00 0.00 19.45 16.10 3i8f n ALA 140 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44