#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i8f n LEU 3 N 0.00 0.00 0.00 2.45 4.77 -1.26 -3.82 117.00 119.14 3i8f n LEU 3 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 3i8f n LEU 3 Cb 0.00 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 3i8f n LEU 3 CO 0.00 0.00 0.00 -0.67 -1.33 0.00 0.00 177.39 175.39 3i8f n ASP 4 N -0.51 0.00 -1.21 -1.43 -0.08 -1.26 -5.04 116.55 107.01 3i8f n ASP 4 Ca 0.00 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.28 3i8f n ASP 4 Cb 0.00 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.46 3i8f n ASP 4 CO 0.00 0.00 0.00 0.52 0.12 0.00 0.00 177.20 177.84 3i8f n VAL 5 N 0.00 -4.26 0.00 5.18 0.31 -1.25 -4.37 118.33 113.94 3i8f n VAL 5 Ca 0.00 1.81 0.00 0.00 -0.01 0.00 0.00 64.34 66.14 3i8f n VAL 5 Cb 0.00 -2.53 0.00 0.00 -0.91 0.00 0.00 33.84 30.40 3i8f n VAL 5 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3i8f n ALA 6 N -0.72 -0.29 -0.33 3.52 0.00 -1.26 -2.71 120.51 118.73 3i8f n ALA 6 Ca 0.00 0.00 0.18 0.00 0.00 0.00 0.00 53.44 53.62 3i8f n ALA 6 Cb 0.00 0.07 0.36 0.00 0.00 0.00 0.00 19.45 19.87 3i8f n ALA 6 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 3i8f h LEU 7 N 0.00 -0.17 -0.32 0.00 6.46 -1.91 0.41 115.31 119.78 3i8f h LEU 7 Ca 0.00 0.25 0.07 0.00 -0.12 0.00 0.00 57.88 58.08 3i8f h LEU 7 Cb 0.00 0.38 -0.06 0.00 -0.73 0.00 0.00 40.66 40.24 3i8f h LEU 7 CO 0.00 -0.32 -0.10 0.50 -0.62 0.00 0.00 178.44 177.90 3i8f h LYS 8 N 0.06 -0.03 -0.02 1.25 3.64 -1.78 -0.22 116.57 119.47 3i8f h LYS 8 Ca 0.64 0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 60.02 3i8f h LYS 8 Cb 1.42 0.01 -0.00 0.00 -0.41 0.00 0.00 32.23 33.25 3i8f h LYS 8 CO -0.82 -0.02 0.01 -0.09 -2.27 0.00 0.00 179.45 176.26 3i8f h ARG 9 N -0.03 0.03 0.00 1.90 2.43 -0.13 -1.82 114.38 116.76 3i8f h ARG 9 Ca 0.16 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.32 3i8f h ARG 9 Cb 0.27 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 29.82 3i8f h ARG 9 CO -0.35 0.21 0.09 1.17 -1.51 0.00 0.00 179.97 179.58 3i8f n LYS 10 N -4.98 0.00 0.00 0.20 0.00 0.55 -2.53 118.16 111.40 3i8f n LYS 10 Ca -0.07 0.27 0.00 0.00 0.00 0.00 0.00 58.31 58.51 3i8f n LYS 10 Cb 0.12 -1.59 0.00 0.00 0.00 0.00 0.00 35.03 33.55 3i8f n LYS 10 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.40 178.38 3i8f n TYR 11 N -1.24 0.00 -0.33 5.64 9.36 -0.19 -3.37 117.16 127.03 3i8f n TYR 11 Ca 0.00 0.00 0.24 0.00 3.32 0.00 0.00 57.90 61.46 3i8f n TYR 11 Cb 0.09 -0.10 0.48 0.00 -0.63 0.00 0.00 39.34 39.18 3i8f n TYR 11 CO 0.00 0.00 0.00 1.88 0.22 0.00 0.00 176.86 178.96 3i8f h TYR 12 N 0.00 0.89 -2.30 2.98 0.05 -1.42 -1.23 116.97 115.94 3i8f h TYR 12 Ca 0.00 0.04 -0.68 0.00 0.05 0.00 0.00 58.73 58.14 3i8f h TYR 12 Cb 0.00 -0.23 -0.36 0.00 1.01 0.00 0.00 36.73 37.15 3i8f h TYR 12 CO 0.00 -0.21 0.02 -0.85 -1.05 0.00 0.00 178.16 176.07 3i8f n GLU 13 N -5.08 4.04 0.00 4.88 0.28 -1.05 -4.45 120.64 119.26 3i8f n GLU 13 Ca 0.32 -4.77 0.00 0.00 -0.16 0.00 0.00 57.16 52.55 3i8f n GLU 13 Cb 1.00 -2.34 0.00 0.00 1.43 0.00 0.00 31.44 31.54 3i8f n GLU 13 CO 0.00 0.00 0.00 -1.91 -0.16 0.00 0.00 177.13 175.06 3i8f n GLU 14 N -0.04 0.00 0.18 3.44 2.13 -1.05 -4.88 120.64 120.42 3i8f n GLU 14 Ca 0.36 0.00 -0.15 0.00 0.66 0.00 0.00 57.16 58.04 3i8f n GLU 14 Cb 0.34 0.00 -0.08 0.00 0.27 0.00 0.00 31.44 31.97 3i8f n GLU 14 CO 0.00 0.00 0.00 0.28 -0.41 0.00 0.00 177.13 177.00 3i8f h VAL 15 N 0.00 0.72 -0.35 6.31 2.07 -1.42 -2.52 116.25 121.05 3i8f h VAL 15 Ca 0.00 -0.06 0.04 0.00 0.82 0.00 0.00 66.70 67.50 3i8f h VAL 15 Cb 0.00 0.75 -0.06 0.00 -1.52 0.00 0.00 31.29 30.46 3i8f h VAL 15 CO 0.00 0.01 -0.37 -0.09 0.02 0.00 0.00 177.57 177.14 3i8f h ARG 16 N -0.43 -0.20 0.09 1.57 9.65 -1.48 -2.70 114.38 120.89 3i8f h ARG 16 Ca -0.04 0.01 -0.00 0.00 -1.10 0.00 0.00 59.98 58.85 3i8f h ARG 16 Cb 0.33 0.05 0.00 0.00 -1.39 0.00 0.00 29.97 28.96 3i8f h ARG 16 CO 0.07 -0.13 -0.04 -1.00 2.80 0.00 0.00 179.97 181.66 3i8f h PRO 17 N -0.21 -0.12 -1.46 0.20 0.13 -1.77 -2.61 132.00 126.16 3i8f h PRO 17 Ca 0.06 0.01 0.42 0.00 -0.87 0.00 0.00 66.00 65.62 3i8f h PRO 17 Cb 0.37 0.03 -0.06 0.00 0.13 0.00 0.00 31.00 31.46 3i8f h PRO 17 CO -0.44 -0.05 1.19 1.49 -0.23 0.00 0.00 178.00 179.96 3i8f h GLU 18 N -0.15 0.00 0.09 0.86 4.57 -1.23 0.20 114.58 118.92 3i8f h GLU 18 Ca -0.01 0.00 -0.13 0.00 -1.18 0.00 0.00 59.36 58.04 3i8f h GLU 18 Cb 0.12 0.00 0.01 0.00 -0.16 0.00 0.00 28.75 28.72 3i8f h GLU 18 CO 0.02 0.00 -0.60 -0.07 -1.18 0.00 0.00 179.01 177.18 3i8f h LEU 19 N 0.00 0.30 -1.40 1.64 3.38 -1.15 -2.15 115.31 115.94 3i8f h LEU 19 Ca 0.69 -0.95 0.13 0.00 0.09 0.00 0.00 57.88 57.84 3i8f h LEU 19 Cb 3.07 -0.10 -0.06 0.00 0.09 0.00 0.00 40.66 43.66 3i8f h LEU 19 CO -0.01 1.28 0.53 0.40 0.09 0.00 0.00 178.44 180.73 3i8f h ILE 20 N -0.59 0.87 0.22 1.22 1.08 -0.60 1.14 117.51 120.85 3i8f h ILE 20 Ca -0.11 -0.21 -0.01 0.00 -0.39 0.00 0.00 64.86 64.13 3i8f h ILE 20 Cb 1.43 0.19 0.00 0.00 -3.07 0.00 0.00 36.82 35.38 3i8f h ILE 20 CO 0.09 0.11 -0.11 -0.09 -0.69 0.00 0.00 178.15 177.46 3i8f h ARG 21 N 0.62 -0.29 -0.74 2.37 2.43 -1.37 1.24 114.38 118.64 3i8f h ARG 21 Ca 0.39 0.02 -0.02 0.00 -0.81 0.00 0.00 59.98 59.56 3i8f h ARG 21 Cb 0.65 0.06 -0.03 0.00 -0.42 0.00 0.00 29.97 30.23 3i8f h ARG 21 CO -0.15 0.03 0.36 0.00 -1.51 0.00 0.00 179.97 178.70 3i8f h ARG 22 N -0.62 1.05 -0.01 0.20 2.47 -0.21 -3.29 114.38 113.98 3i8f h ARG 22 Ca -0.03 -0.14 0.00 0.00 -1.26 0.00 0.00 59.98 58.55 3i8f h ARG 22 Cb 0.45 -0.20 0.00 0.00 -1.65 0.00 0.00 29.97 28.57 3i8f h ARG 22 CO 0.05 0.80 -0.02 1.19 0.56 0.00 0.00 179.97 182.55 3i8f n PHE 23 N -4.33 0.00 -3.80 3.04 3.01 0.37 -5.04 117.46 110.71 3i8f n PHE 23 Ca 0.07 0.00 -0.33 0.00 1.01 0.00 0.00 57.45 58.20 3i8f n PHE 23 Cb 0.13 0.00 0.02 0.00 -0.01 0.00 0.00 39.48 39.62 3i8f n PHE 23 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3i8f n GLY 24 N 0.35 -1.04 3.73 1.37 0.00 0.43 -4.91 105.19 105.12 3i8f n GLY 24 Ca 0.03 0.45 -0.41 0.00 0.00 0.00 0.00 46.02 46.09 3i8f n GLY 24 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3i8f s TYR 25 N -3.33 3.76 -1.72 1.61 2.02 -1.24 -4.92 117.35 113.52 3i8f s TYR 25 Ca 0.33 1.67 0.29 0.00 -0.37 0.00 0.00 57.07 59.00 3i8f s TYR 25 Cb -0.15 -2.99 1.26 0.00 -0.40 0.00 0.00 41.96 39.67 3i8f s TYR 25 CO 0.90 0.19 1.88 0.00 -1.57 0.00 0.00 175.55 176.94 3i8f n GLN 26 N 3.00 0.77 -3.97 -0.62 -0.00 -1.26 -4.82 117.38 110.48 3i8f n GLN 26 Ca 0.01 -0.26 -0.15 0.00 -0.00 0.00 0.00 57.00 56.60 3i8f n GLN 26 Cb 0.50 -1.49 -0.15 0.00 -0.00 0.00 0.00 30.24 29.09 3i8f n GLN 26 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.06 178.27 3i8f s ASN 27 N -2.41 0.36 0.33 2.61 3.84 -1.26 -5.05 114.94 113.36 3i8f s ASN 27 Ca 0.31 -0.04 0.09 0.00 0.21 0.00 0.00 52.86 53.43 3i8f s ASN 27 Cb 0.20 -0.13 0.82 0.00 -0.55 0.00 0.00 41.25 41.60 3i8f s ASN 27 CO 0.46 -0.03 1.79 -0.37 -2.79 0.00 0.00 177.10 176.16 3i8f h VAL 28 N 5.68 0.70 0.21 -5.21 -1.51 -1.97 -2.17 116.25 111.98 3i8f h VAL 28 Ca -0.35 -0.24 -0.01 0.00 -1.23 0.00 0.00 66.70 64.88 3i8f h VAL 28 Cb 1.17 -0.04 0.00 0.00 -2.13 0.00 0.00 31.29 30.28 3i8f h VAL 28 CO 0.49 0.13 -0.10 -0.50 -1.23 0.00 0.00 177.57 176.36 3i8f h TRP 29 N 0.69 -0.26 -0.42 5.19 4.06 -2.00 -2.94 115.95 120.27 3i8f h TRP 29 Ca 0.56 -0.01 0.12 0.00 2.06 0.00 0.00 58.89 61.62 3i8f h TRP 29 Cb 0.97 0.09 -0.02 0.00 -1.00 0.00 0.00 29.16 29.20 3i8f h TRP 29 CO -0.00 0.08 0.87 0.93 -3.56 0.00 0.00 178.44 176.76 3i8f h GLU 30 N -0.62 0.00 -6.39 0.49 5.08 -1.82 -3.39 114.58 107.93 3i8f h GLU 30 Ca -0.03 0.00 -0.54 0.00 -1.00 0.00 0.00 59.36 57.79 3i8f h GLU 30 Cb 0.45 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.70 3i8f h GLU 30 CO 0.05 0.00 0.72 0.54 -1.00 0.00 0.00 179.01 179.31 3i8f s VAL 31 N -4.26 3.95 -0.35 3.13 0.11 -1.11 -4.90 120.40 116.96 3i8f s VAL 31 Ca -0.02 1.34 -0.39 0.00 -2.93 0.00 0.00 61.98 59.97 3i8f s VAL 31 Cb 0.09 -3.86 -0.15 0.00 -1.53 0.00 0.00 36.38 30.93 3i8f s VAL 31 CO 0.29 0.03 1.98 -2.65 -3.33 0.00 0.00 175.10 171.43 3i8f n PRO 32 N 4.89 0.92 -3.79 1.54 -0.02 -1.26 -4.96 135.00 132.32 3i8f n PRO 32 Ca 0.11 0.30 -0.36 0.00 -2.02 0.00 0.00 63.50 61.53 3i8f n PRO 32 Cb 0.45 -2.14 -0.11 0.00 -0.02 0.00 0.00 33.50 31.68 3i8f n PRO 32 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 3i8f s ARG 33 N 5.00 3.81 -0.89 -0.52 3.00 -1.26 -4.96 118.95 123.13 3i8f s ARG 33 Ca 1.06 -0.41 -0.25 0.00 0.00 0.00 0.00 55.73 56.14 3i8f s ARG 33 Cb -1.06 -3.37 0.03 0.00 0.00 0.00 0.00 34.95 30.54 3i8f s ARG 33 CO 0.60 -0.06 1.45 -1.17 0.00 0.00 0.00 175.30 176.11 3i8f s LEU 34 N 1.32 3.34 -0.02 2.53 1.98 -1.26 -2.77 118.68 123.79 3i8f s LEU 34 Ca 0.06 -0.94 0.07 0.00 -2.89 0.00 0.00 54.13 50.42 3i8f s LEU 34 Cb -0.15 -2.56 -0.02 0.00 0.66 0.00 0.00 46.19 44.12 3i8f s LEU 34 CO 0.05 -1.76 -0.23 -1.83 -1.89 0.00 0.00 176.35 170.68 3i8f s GLU 35 N 5.51 1.97 0.04 1.98 4.04 -1.09 -4.99 118.70 126.16 3i8f s GLU 35 Ca 0.45 -0.84 0.00 0.00 0.04 0.00 0.00 54.97 54.62 3i8f s GLU 35 Cb -0.04 -1.86 0.00 0.00 0.02 0.00 0.00 34.13 32.25 3i8f s GLU 35 CO 0.01 0.48 0.00 1.17 -1.84 0.00 0.00 175.26 175.08 3i8f n LYS 36 N 2.59 -2.39 -4.10 -4.83 4.81 -1.26 -4.04 118.16 108.94 3i8f n LYS 36 Ca -0.16 1.99 -0.25 0.00 -0.87 0.00 0.00 58.31 59.03 3i8f n LYS 36 Cb 0.52 -2.19 -0.17 0.00 0.02 0.00 0.00 35.03 33.21 3i8f n LYS 36 CO 0.00 0.00 0.00 0.08 1.17 0.00 0.00 177.40 178.65 3i8f s VAL 37 N -0.25 0.88 -0.18 3.15 1.01 -0.86 -0.19 120.40 123.96 3i8f s VAL 37 Ca 0.00 -0.25 0.01 0.00 0.00 0.00 0.00 61.98 61.74 3i8f s VAL 37 Cb 0.00 -0.89 0.03 0.00 0.00 0.00 0.00 36.38 35.52 3i8f s VAL 37 CO 0.00 0.33 -0.17 -0.69 0.00 0.00 0.00 175.10 174.57 3i8f s VAL 38 N 1.35 1.92 0.08 2.92 1.01 0.98 -2.72 120.40 125.94 3i8f s VAL 38 Ca -0.03 -0.94 -0.18 0.00 0.00 0.00 0.00 61.98 60.83 3i8f s VAL 38 Cb -0.14 -1.79 -0.07 0.00 0.00 0.00 0.00 36.38 34.38 3i8f s VAL 38 CO -0.03 0.43 0.55 -0.63 0.00 0.00 0.00 175.10 175.43 3i8f s ILE 39 N 1.33 4.78 0.04 2.22 1.01 -0.82 -0.63 121.20 129.12 3i8f s ILE 39 Ca 0.03 1.13 0.04 0.00 0.00 0.00 0.00 60.65 61.85 3i8f s ILE 39 Cb -0.14 -3.86 -0.02 0.00 0.01 0.00 0.00 42.46 38.45 3i8f s ILE 39 CO -0.11 0.51 -0.11 0.21 0.00 0.00 0.00 174.94 175.43 3i8f s ASN 40 N -1.20 1.29 -0.40 3.58 3.04 0.21 -1.02 114.94 120.43 3i8f s ASN 40 Ca 0.30 -0.45 0.02 0.00 0.04 0.00 0.00 52.86 52.77 3i8f s ASN 40 Cb -0.19 -0.06 0.12 0.00 -1.54 0.00 0.00 41.25 39.59 3i8f s ASN 40 CO 0.19 -0.04 0.18 -1.10 -3.04 0.00 0.00 177.10 173.29 3i8f s GLN 41 N -1.18 1.25 -0.34 0.43 -0.21 0.52 0.86 119.66 120.98 3i8f s GLN 41 Ca -0.02 -1.83 -0.28 0.00 0.02 0.00 0.00 55.36 53.26 3i8f s GLN 41 Cb -0.08 -2.47 -0.04 0.00 1.00 0.00 0.00 33.01 31.42 3i8f s GLN 41 CO 0.01 -1.08 2.03 0.20 -2.12 0.00 0.00 175.29 174.33 3i8f s GLY 42 N 0.67 0.47 -0.86 3.09 0.00 -1.26 -0.91 107.32 108.51 3i8f s GLY 42 Ca 0.15 0.31 0.01 0.00 0.00 0.00 0.00 44.72 45.18 3i8f s GLY 42 CO -0.07 3.58 1.03 1.04 0.00 0.00 0.00 173.10 178.69 3i8f n LEU 43 N 11.78 4.87 -0.11 0.66 4.32 -1.26 -4.78 117.00 132.48 3i8f n LEU 43 Ca 0.27 -5.29 -0.08 0.00 -0.02 0.00 0.00 56.01 50.89 3i8f n LEU 43 Cb 0.48 -0.99 0.08 0.00 -1.62 0.00 0.00 43.42 41.37 3i8f n LEU 43 CO 0.68 1.81 0.73 1.23 -1.22 0.00 0.00 177.39 180.62 3i8f h GLY 44 N 5.05 0.90 1.54 -0.72 0.00 -1.93 -1.98 103.07 105.93 3i8f h GLY 44 Ca 0.19 -0.75 0.00 0.00 0.00 0.00 0.00 47.33 46.78 3i8f h GLY 44 CO 1.03 0.68 0.22 1.05 0.00 0.00 0.00 176.54 179.52 3i8f h GLU 45 N 0.73 0.00 -0.28 4.80 9.09 -2.00 0.90 114.58 127.83 3i8f h GLU 45 Ca 0.11 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.52 3i8f h GLU 45 Cb 0.70 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.80 3i8f h GLU 45 CO 0.05 0.00 0.00 0.00 0.05 0.00 0.00 179.01 179.11 3i8f n ALA 46 N -1.91 2.46 -0.00 1.06 0.00 -0.75 -4.46 120.51 116.90 3i8f n ALA 46 Ca -0.02 -0.80 0.19 0.00 0.00 0.00 0.00 53.44 52.81 3i8f n ALA 46 Cb 0.27 -0.95 0.38 0.00 0.00 0.00 0.00 19.45 19.15 3i8f n ALA 46 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 3i8f h LYS 47 N 3.69 0.00 0.00 0.00 3.64 0.82 -0.71 116.57 124.01 3i8f h LYS 47 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 3i8f h LYS 47 Cb 0.81 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.63 3i8f h LYS 47 CO 0.00 0.00 -0.20 -1.91 -2.27 0.00 0.00 179.45 175.07 3i8f n GLU 48 N -3.07 0.13 -4.14 1.90 4.07 -1.26 -4.87 120.64 113.40 3i8f n GLU 48 Ca 0.14 -0.79 -0.16 0.00 -0.06 0.00 0.00 57.16 56.29 3i8f n GLU 48 Cb 1.22 -0.54 -0.15 0.00 -0.06 0.00 0.00 31.44 31.91 3i8f n GLU 48 CO 0.00 0.00 0.00 -0.51 -0.06 0.00 0.00 177.13 176.56 3i8f s ASP 49 N -0.52 0.60 -0.19 4.31 1.01 -0.27 -5.03 116.67 116.58 3i8f s ASP 49 Ca 0.01 -0.09 -0.15 0.00 0.71 0.00 0.00 52.55 53.03 3i8f s ASP 49 Cb 0.01 -0.10 -0.08 0.00 1.01 0.00 0.00 42.92 43.76 3i8f s ASP 49 CO 0.00 0.05 -0.20 0.00 0.21 0.00 0.00 175.17 175.22 3i8f n ALA 50 N 3.09 0.77 -0.30 5.23 0.00 -1.26 -3.23 120.51 124.81 3i8f n ALA 50 Ca -0.14 -0.68 0.11 0.00 0.00 0.00 0.00 53.44 52.73 3i8f n ALA 50 Cb 0.57 -0.05 0.25 0.00 0.00 0.00 0.00 19.45 20.22 3i8f n ALA 50 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3i8f h ARG 51 N -1.00 0.10 -0.53 0.00 3.08 -1.97 1.08 114.38 115.13 3i8f h ARG 51 Ca -0.18 -0.01 -0.11 0.00 0.07 0.00 0.00 59.98 59.76 3i8f h ARG 51 Cb 0.99 -0.02 -0.02 0.00 0.08 0.00 0.00 29.97 31.00 3i8f h ARG 51 CO -0.11 0.07 -0.10 0.82 -1.07 0.00 0.00 179.97 179.57 3i8f h ILE 52 N 0.10 1.27 0.24 2.04 1.08 -1.99 -2.54 117.51 117.71 3i8f h ILE 52 Ca 0.53 -1.25 -0.01 0.00 -0.39 0.00 0.00 64.86 63.73 3i8f h ILE 52 Cb 1.04 0.97 0.00 0.00 -3.07 0.00 0.00 36.82 35.76 3i8f h ILE 52 CO -0.76 0.44 -0.11 0.25 -0.69 0.00 0.00 178.15 177.28 3i8f h LEU 53 N 0.89 -0.27 -1.42 1.44 6.46 0.83 -3.17 115.31 120.07 3i8f h LEU 53 Ca 0.14 0.01 0.00 0.00 -0.12 0.00 0.00 57.88 57.91 3i8f h LEU 53 Cb 0.66 0.07 0.00 0.00 -0.73 0.00 0.00 40.66 40.66 3i8f h LEU 53 CO 0.05 -0.07 0.49 1.05 -0.62 0.00 0.00 178.44 179.33 3i8f h GLU 54 N -0.56 0.00 0.61 1.25 4.11 0.36 0.17 114.58 120.51 3i8f h GLU 54 Ca -0.03 0.00 -0.03 0.00 0.07 0.00 0.00 59.36 59.37 3i8f h GLU 54 Cb 0.25 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.50 3i8f h GLU 54 CO 0.05 0.00 -0.29 -0.22 0.07 0.00 0.00 179.01 178.62 3i8f h LYS 55 N 0.00 -0.79 0.00 1.06 1.63 -1.42 -2.29 116.57 114.76 3i8f h LYS 55 Ca 0.00 0.05 0.00 0.00 -0.85 0.00 0.00 60.65 59.85 3i8f h LYS 55 Cb 0.98 0.18 0.00 0.00 -0.60 0.00 0.00 32.23 32.79 3i8f h LYS 55 CO 0.00 -0.48 0.00 0.00 -3.45 0.00 0.00 179.45 175.52 3i8f n ALA 56 N -2.63 1.78 -0.02 5.00 0.00 0.52 -1.12 120.51 124.05 3i8f n ALA 56 Ca -0.11 -0.06 -0.17 0.00 0.00 0.00 0.00 53.44 53.10 3i8f n ALA 56 Cb 0.35 -1.16 -0.13 0.00 0.00 0.00 0.00 19.45 18.50 3i8f n ALA 56 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3i8f h ALA 57 N 2.57 -0.03 0.00 0.00 0.00 -0.81 -2.54 119.26 118.44 3i8f h ALA 57 Ca 0.00 -0.57 -0.21 0.00 0.00 0.00 0.00 54.91 54.12 3i8f h ALA 57 Cb 0.03 0.04 -0.03 0.00 0.00 0.00 0.00 17.79 17.83 3i8f h ALA 57 CO 0.00 0.16 -1.20 -0.56 0.00 0.00 0.00 179.25 177.65 3i8f h GLN 58 N -0.68 0.00 -0.42 0.00 -0.00 -1.26 -1.86 115.11 110.89 3i8f h GLN 58 Ca -0.06 0.00 0.02 0.00 -0.00 0.00 0.00 58.65 58.61 3i8f h GLN 58 Cb 1.26 0.00 -0.03 0.00 -0.00 0.00 0.00 27.48 28.71 3i8f h GLN 58 CO 0.07 0.67 0.24 1.49 -0.00 0.00 0.00 178.83 181.30 3i8f h GLU 59 N 0.00 0.48 -0.05 0.06 4.81 -1.23 0.16 114.58 118.81 3i8f h GLU 59 Ca -0.11 -0.03 -0.08 0.00 -0.13 0.00 0.00 59.36 59.01 3i8f h GLU 59 Cb 1.76 -0.11 0.00 0.00 0.63 0.00 0.00 28.75 31.04 3i8f h GLU 59 CO 0.09 0.31 -0.29 1.25 -0.73 0.00 0.00 179.01 179.65 3i8f h LEU 60 N 0.49 0.34 0.00 1.64 6.46 -1.50 -2.69 115.31 120.04 3i8f h LEU 60 Ca 0.17 -0.67 0.00 0.00 -0.12 0.00 0.00 57.88 57.25 3i8f h LEU 60 Cb 0.02 -0.10 0.00 0.00 -0.73 0.00 0.00 40.66 39.85 3i8f h LEU 60 CO -0.08 0.96 0.00 0.00 -0.62 0.00 0.00 178.44 178.69 3i8f n ALA 61 N -2.51 1.66 -0.06 1.25 0.00 -0.70 -0.49 120.51 119.66 3i8f n ALA 61 Ca -0.09 -0.03 -0.15 0.00 0.00 0.00 0.00 53.44 53.17 3i8f n ALA 61 Cb 0.49 -1.07 -0.14 0.00 0.00 0.00 0.00 19.45 18.73 3i8f n ALA 61 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 3i8f n LEU 62 N -1.01 1.79 0.06 0.00 7.94 0.02 -2.39 117.00 123.40 3i8f n LEU 62 Ca 0.03 0.13 0.12 0.00 -1.11 0.00 0.00 56.01 55.18 3i8f n LEU 62 Cb 0.02 -0.44 0.07 0.00 0.53 0.00 0.00 43.42 43.59 3i8f n LEU 62 CO 0.03 0.70 0.11 2.30 -1.11 0.00 0.00 177.39 179.41 3i8f n ILE 63 N -3.18 0.34 -0.13 1.96 -5.35 0.35 -4.27 119.36 109.09 3i8f n ILE 63 Ca -0.32 -0.34 -0.20 0.00 -0.27 0.00 0.00 62.75 61.62 3i8f n ILE 63 Cb 1.06 -0.06 -0.11 0.00 -1.74 0.00 0.00 39.64 38.79 3i8f n ILE 63 CO 0.00 0.00 0.00 1.07 -1.76 0.00 0.00 176.55 175.86 3i8f n THR 64 N -2.21 1.44 -0.68 7.28 5.66 -0.39 -4.90 114.28 120.49 3i8f n THR 64 Ca 0.02 -0.50 0.00 0.00 -3.05 0.00 0.00 64.05 60.52 3i8f n THR 64 Cb 0.47 -1.50 0.00 0.00 -1.55 0.00 0.00 70.33 67.75 3i8f n THR 64 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 3i8f n GLY 65 N 2.06 0.70 2.89 1.09 0.00 -1.01 -4.88 105.19 106.04 3i8f n GLY 65 Ca -0.46 -0.63 -0.10 0.00 0.00 0.00 0.00 46.02 44.83 3i8f n GLY 65 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3i8f s GLN 66 N -1.43 0.38 -0.02 1.61 0.74 -1.24 -5.05 119.66 114.66 3i8f s GLN 66 Ca 0.00 0.23 -0.31 0.00 0.05 0.00 0.00 55.36 55.33 3i8f s GLN 66 Cb 0.00 -0.40 -0.15 0.00 1.10 0.00 0.00 33.01 33.56 3i8f s GLN 66 CO 0.00 -0.91 0.84 0.36 -0.55 0.00 0.00 175.29 175.03 3i8f n LYS 67 N 5.35 0.00 -1.95 1.67 -0.00 -1.26 -4.61 118.16 117.37 3i8f n LYS 67 Ca -0.01 0.00 -0.29 0.00 -0.00 0.00 0.00 58.31 58.01 3i8f n LYS 67 Cb 0.49 -1.14 0.14 0.00 -0.00 0.00 0.00 35.03 34.52 3i8f n LYS 67 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.40 176.15 3i8f s PRO 68 N 0.14 1.28 0.08 -1.58 0.04 -1.26 -4.91 135.00 128.79 3i8f s PRO 68 Ca 0.70 -0.21 0.08 0.00 0.04 0.00 0.00 61.00 61.61 3i8f s PRO 68 Cb -0.98 -1.92 -0.03 0.00 0.04 0.00 0.00 34.50 31.61 3i8f s PRO 68 CO 0.45 -2.01 -0.21 0.00 0.04 0.00 0.00 177.00 175.27 3i8f s ALA 69 N -3.72 1.84 -0.03 8.56 0.00 -1.00 -4.96 121.76 122.46 3i8f s ALA 69 Ca 0.68 -1.20 -0.21 0.00 0.00 0.00 0.00 51.96 51.23 3i8f s ALA 69 Cb -0.07 -0.29 -0.05 0.00 0.00 0.00 0.00 23.12 22.71 3i8f s ALA 69 CO 0.51 0.39 0.60 0.14 0.00 0.00 0.00 175.76 177.40 3i8f s VAL 70 N -1.03 4.97 -0.29 0.00 -7.23 -1.26 -0.18 120.40 115.37 3i8f s VAL 70 Ca 0.07 1.25 -0.10 0.00 -1.81 0.00 0.00 61.98 61.40 3i8f s VAL 70 Cb -0.10 -3.94 -0.03 0.00 0.56 0.00 0.00 36.38 32.88 3i8f s VAL 70 CO 0.04 0.37 0.16 0.42 -0.31 0.00 0.00 175.10 175.77 3i8f s THR 71 N 0.12 4.82 0.35 5.32 -4.23 -0.36 -4.93 115.64 116.73 3i8f s THR 71 Ca 0.32 -0.17 -0.21 0.00 -1.18 0.00 0.00 61.69 60.44 3i8f s THR 71 Cb -0.18 -3.37 -0.10 0.00 1.34 0.00 0.00 72.50 70.20 3i8f s THR 71 CO 0.17 0.17 0.87 -0.13 -0.54 0.00 0.00 174.62 175.16 3i8f s ARG 72 N 1.67 4.30 0.44 3.99 1.81 -1.26 -2.89 118.95 127.00 3i8f s ARG 72 Ca 0.06 1.06 -0.25 0.00 -1.72 0.00 0.00 55.73 54.88 3i8f s ARG 72 Cb -0.16 -2.52 -0.09 0.00 -0.45 0.00 0.00 34.95 31.72 3i8f s ARG 72 CO 0.07 0.16 1.34 0.00 -0.68 0.00 0.00 175.30 176.20 3i8f n ALA 73 N -0.01 1.63 -0.05 2.13 0.00 -1.14 -4.90 120.51 118.16 3i8f n ALA 73 Ca 0.03 0.25 -0.06 0.00 0.00 0.00 0.00 53.44 53.66 3i8f n ALA 73 Cb 0.52 -2.33 -0.06 0.00 0.00 0.00 0.00 19.45 17.59 3i8f n ALA 73 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 3i8f h LYS 74 N 2.16 -0.01 0.00 0.00 1.57 -1.89 -3.40 116.57 114.99 3i8f h LYS 74 Ca -0.49 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.29 3i8f h LYS 74 Cb 1.28 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.60 3i8f h LYS 74 CO 0.60 0.43 0.00 0.36 -0.57 0.00 0.00 179.45 180.27 3i8f n LYS 75 N -4.72 0.00 -3.32 3.15 2.85 -1.26 -4.78 118.16 110.09 3i8f n LYS 75 Ca -0.05 0.00 0.03 0.00 -1.05 0.00 0.00 58.31 57.24 3i8f n LYS 75 Cb 0.22 0.00 -0.05 0.00 -0.65 0.00 0.00 35.03 34.55 3i8f n LYS 75 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 177.40 177.80 3i8f s SER 76 N -0.38 -0.13 -0.04 -5.58 0.15 -1.26 -1.84 113.70 104.62 3i8f s SER 76 Ca 0.00 0.18 0.06 0.00 0.70 0.00 0.00 55.95 56.89 3i8f s SER 76 Cb 0.00 1.12 -0.02 0.00 -1.71 0.00 0.00 66.02 65.42 3i8f s SER 76 CO 0.00 -0.03 -0.23 -0.63 1.20 0.00 0.00 173.24 173.56 3i8f s ILE 77 N 1.84 2.29 0.08 6.45 1.09 -1.23 -5.01 121.20 126.70 3i8f s ILE 77 Ca -0.02 -1.00 0.04 0.00 -1.10 0.00 0.00 60.65 58.57 3i8f s ILE 77 Cb -0.02 -1.83 -0.24 0.00 -1.06 0.00 0.00 42.46 39.31 3i8f s ILE 77 CO -0.15 0.58 1.13 -1.28 -0.10 0.00 0.00 174.94 175.12 3i8f h SER 78 N 5.72 0.14 -0.72 3.58 0.87 -1.88 -2.95 113.55 118.31 3i8f h SER 78 Ca -0.39 -0.17 0.18 0.00 -1.23 0.00 0.00 61.79 60.19 3i8f h SER 78 Cb 1.15 -0.05 -0.04 0.00 -0.44 0.00 0.00 62.40 63.03 3i8f h SER 78 CO 0.48 1.13 0.50 0.78 -0.53 0.00 0.00 176.83 179.20 3i8f h ASN 79 N 0.02 0.14 -1.96 6.23 2.35 -1.99 -2.91 115.58 117.47 3i8f h ASN 79 Ca -0.10 0.01 -0.48 0.00 -0.55 0.00 0.00 56.30 55.19 3i8f h ASN 79 Cb 1.87 -0.02 -0.40 0.00 0.05 0.00 0.00 38.32 39.82 3i8f h ASN 79 CO 0.14 0.07 -1.18 2.22 -1.65 0.00 0.00 177.43 177.03 3i8f n PHE 80 N -4.39 0.35 0.00 1.19 1.16 -1.24 -5.13 117.46 109.40 3i8f n PHE 80 Ca 0.14 -3.77 0.00 0.00 -1.87 0.00 0.00 57.45 51.95 3i8f n PHE 80 Cb 0.69 -0.42 0.00 0.00 -1.61 0.00 0.00 39.48 38.14 3i8f n PHE 80 CO 0.00 0.00 0.00 1.63 -1.87 0.00 0.00 176.76 176.52 3i8f n LYS 81 N 0.25 0.00 -0.27 3.97 4.76 -1.10 -4.85 118.16 120.92 3i8f n LYS 81 Ca 0.24 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.68 3i8f n LYS 81 Cb 0.66 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.85 3i8f n LYS 81 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 3i8f n LEU 82 N 0.00 -0.58 -4.32 -0.35 4.77 -1.26 -3.56 117.00 111.69 3i8f n LEU 82 Ca 0.00 0.49 -0.17 0.00 -0.03 0.00 0.00 56.01 56.30 3i8f n LEU 82 Cb 0.00 0.31 -0.10 0.00 -2.33 0.00 0.00 43.42 41.30 3i8f n LEU 82 CO 0.00 -0.07 -0.36 -0.13 -1.33 0.00 0.00 177.39 175.51 3i8f s ARG 83 N -4.68 1.29 0.04 3.23 0.52 -1.26 -4.11 118.95 113.98 3i8f s ARG 83 Ca 0.00 -1.63 -0.07 0.00 -0.52 0.00 0.00 55.73 53.51 3i8f s ARG 83 Cb 0.00 -0.69 -0.02 0.00 0.52 0.00 0.00 34.95 34.76 3i8f s ARG 83 CO 0.00 -0.03 0.62 1.63 0.02 0.00 0.00 175.30 177.54 3i8f n LYS 84 N -0.38 -0.10 0.00 3.54 4.76 -0.77 -3.73 118.16 121.49 3i8f n LYS 84 Ca -0.06 0.61 0.00 0.00 -2.87 0.00 0.00 58.31 55.99 3i8f n LYS 84 Cb 0.63 -0.91 0.00 0.00 -1.84 0.00 0.00 35.03 32.91 3i8f n LYS 84 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3i8f n GLY 85 N -1.06 -0.39 3.02 0.72 0.00 -1.26 -3.60 105.19 102.62 3i8f n GLY 85 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.02 3i8f n GLY 85 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 3i8f n MET 86 N 0.00 -1.70 -1.84 1.61 0.00 -1.24 -2.90 117.12 111.04 3i8f n MET 86 Ca 0.00 1.54 -0.42 0.00 0.00 0.00 0.00 57.70 58.82 3i8f n MET 86 Cb 0.00 -1.55 -0.03 0.00 0.00 0.00 0.00 33.22 31.64 3i8f n MET 86 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 175.97 174.72 3i8f s PRO 87 N -0.25 4.17 -0.05 2.12 0.04 -1.26 -3.55 135.00 136.22 3i8f s PRO 87 Ca -0.04 2.42 -0.02 0.00 0.04 0.00 0.00 61.00 63.40 3i8f s PRO 87 Cb 0.00 -3.71 0.03 0.00 0.04 0.00 0.00 34.50 30.86 3i8f s PRO 87 CO 0.13 -0.80 0.06 -1.50 0.04 0.00 0.00 177.00 174.93 3i8f s ILE 88 N 3.06 -0.09 0.00 0.56 -1.16 -1.14 -4.47 121.20 117.96 3i8f s ILE 88 Ca 0.78 0.39 0.00 0.00 -0.51 0.00 0.00 60.65 61.31 3i8f s ILE 88 Cb -0.41 -0.18 0.00 0.00 0.61 0.00 0.00 42.46 42.47 3i8f s ILE 88 CO 0.34 0.16 0.00 0.61 -2.81 0.00 0.00 174.94 173.24 3i8f n GLY 89 N 5.29 -1.00 3.12 1.50 0.00 -1.24 -4.33 105.19 108.53 3i8f n GLY 89 Ca -0.03 -1.38 -0.25 0.00 0.00 0.00 0.00 46.02 44.36 3i8f n GLY 89 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3i8f s LEU 90 N -1.49 1.92 -0.04 0.99 2.01 -0.09 -1.22 118.68 120.76 3i8f s LEU 90 Ca 0.00 -0.32 -0.01 0.00 0.01 0.00 0.00 54.13 53.81 3i8f s LEU 90 Cb 0.00 -0.89 0.03 0.00 0.01 0.00 0.00 46.19 45.34 3i8f s LEU 90 CO 0.00 0.15 0.07 -0.60 1.01 0.00 0.00 176.35 176.99 3i8f s ARG 91 N -0.04 -0.02 -0.06 1.70 3.52 0.74 0.19 118.95 124.99 3i8f s ARG 91 Ca -0.01 0.31 0.03 0.00 -0.13 0.00 0.00 55.73 55.93 3i8f s ARG 91 Cb -0.10 -0.31 -0.03 0.00 -1.56 0.00 0.00 34.95 32.95 3i8f s ARG 91 CO 0.01 -0.23 -0.12 0.54 -0.81 0.00 0.00 175.30 174.70 3i8f s VAL 92 N 1.52 3.26 -0.26 7.11 0.11 -0.19 -2.36 120.40 129.58 3i8f s VAL 92 Ca -0.04 -0.65 -0.01 0.00 -2.93 0.00 0.00 61.98 58.35 3i8f s VAL 92 Cb -0.12 -2.29 0.04 0.00 -1.53 0.00 0.00 36.38 32.47 3i8f s VAL 92 CO -0.04 0.59 -0.06 -0.89 -3.33 0.00 0.00 175.10 171.38 3i8f s THR 93 N -0.73 2.75 0.15 5.04 2.01 -1.26 -1.95 115.64 121.65 3i8f s THR 93 Ca 0.11 -1.22 0.08 0.00 0.31 0.00 0.00 61.69 60.98 3i8f s THR 93 Cb -0.11 -2.47 -0.04 0.00 0.01 0.00 0.00 72.50 69.89 3i8f s THR 93 CO 0.01 0.10 -0.18 -1.48 -0.69 0.00 0.00 174.62 172.37 3i8f s LEU 94 N 1.27 2.41 0.36 4.42 2.34 -1.10 -5.04 118.68 123.32 3i8f s LEU 94 Ca -0.03 -0.82 -0.14 0.00 0.06 0.00 0.00 54.13 53.20 3i8f s LEU 94 Cb -0.18 -0.81 0.04 0.00 -0.56 0.00 0.00 46.19 44.68 3i8f s LEU 94 CO -0.04 -0.03 0.71 0.00 -1.06 0.00 0.00 176.35 175.93 3i8f s ARG 95 N -2.60 2.08 0.01 1.48 1.70 -1.26 -2.02 118.95 118.34 3i8f s ARG 95 Ca 0.13 -1.42 0.00 0.00 -0.47 0.00 0.00 55.73 53.97 3i8f s ARG 95 Cb -0.06 0.59 0.00 0.00 -0.57 0.00 0.00 34.95 34.90 3i8f s ARG 95 CO 0.06 -0.95 0.00 0.54 -1.08 0.00 0.00 175.30 173.87 3i8f n ARG 96 N -0.52 -1.51 0.00 3.89 1.74 -1.26 -3.58 116.66 115.42 3i8f n ARG 96 Ca -0.06 1.09 0.00 0.00 -0.77 0.00 0.00 57.85 58.11 3i8f n ARG 96 Cb 0.60 -1.70 0.00 0.00 -1.02 0.00 0.00 32.46 30.34 3i8f n ARG 96 CO 0.00 0.00 0.00 -0.25 -1.52 0.00 0.00 177.63 175.86 3i8f n ASP 97 N 1.92 0.00 -0.36 0.55 9.92 -1.26 -3.80 116.55 123.52 3i8f n ASP 97 Ca 0.00 0.00 0.30 0.00 -0.53 0.00 0.00 54.79 54.56 3i8f n ASP 97 Cb 0.00 0.00 0.56 0.00 -0.64 0.00 0.00 41.12 41.04 3i8f n ASP 97 CO 0.00 0.00 0.00 -0.09 0.13 0.00 0.00 177.20 177.24 3i8f h ARG 98 N 0.00 0.15 -0.02 -1.24 2.43 -1.96 1.88 114.38 115.62 3i8f h ARG 98 Ca 0.00 -0.01 -0.26 0.00 -0.81 0.00 0.00 59.98 58.90 3i8f h ARG 98 Cb 0.00 -0.03 0.02 0.00 -0.42 0.00 0.00 29.97 29.53 3i8f h ARG 98 CO 0.00 0.10 -1.00 0.00 -1.51 0.00 0.00 179.97 177.56 3i8f h MET 99 N 0.16 0.70 0.13 0.20 -0.00 -1.66 -2.97 114.93 111.49 3i8f h MET 99 Ca 0.79 -0.73 -0.00 0.00 -0.00 0.00 0.00 59.70 59.76 3i8f h MET 99 Cb 2.09 0.20 -0.00 0.00 -0.00 0.00 0.00 31.60 33.89 3i8f h MET 99 CO -0.61 1.31 -0.09 -1.49 -0.00 0.00 0.00 176.91 176.03 3i8f h TRP 100 N 0.41 -0.23 -0.99 -0.10 4.06 0.23 -0.55 115.95 118.78 3i8f h TRP 100 Ca -0.12 -0.00 0.07 0.00 2.06 0.00 0.00 58.89 60.91 3i8f h TRP 100 Cb 1.65 0.08 -0.07 0.00 -1.00 0.00 0.00 29.16 29.83 3i8f h TRP 100 CO 0.10 -0.14 0.64 -0.84 -3.56 0.00 0.00 178.44 174.64 3i8f h ILE 101 N -0.22 1.06 0.20 1.49 3.07 -0.03 0.18 117.51 123.27 3i8f h ILE 101 Ca -0.01 -0.39 -0.01 0.00 1.55 0.00 0.00 64.86 66.01 3i8f h ILE 101 Cb 0.19 -0.17 0.00 0.00 -0.27 0.00 0.00 36.82 36.58 3i8f h ILE 101 CO 0.00 0.21 -0.10 0.15 -1.05 0.00 0.00 178.15 177.36 3i8f h PHE 102 N 1.13 -0.25 -0.58 0.16 3.04 -1.28 -0.54 116.94 118.61 3i8f h PHE 102 Ca 0.44 -0.01 -0.01 0.00 3.98 0.00 0.00 57.97 62.37 3i8f h PHE 102 Cb 0.22 0.08 -0.03 0.00 2.56 0.00 0.00 35.95 38.78 3i8f h PHE 102 CO -0.00 -0.06 0.32 -0.07 -2.02 0.00 0.00 178.31 176.48 3i8f h LEU 103 N -0.41 0.71 -0.21 0.59 3.38 -0.56 0.70 115.31 119.51 3i8f h LEU 103 Ca -0.03 -0.05 -0.00 0.00 0.09 0.00 0.00 57.88 57.89 3i8f h LEU 103 Cb 0.31 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.87 3i8f h LEU 103 CO 0.05 0.57 0.11 -0.08 0.09 0.00 0.00 178.44 179.18 3i8f h GLU 104 N 0.80 0.29 0.00 1.13 4.57 -0.38 0.27 114.58 121.26 3i8f h GLU 104 Ca 0.21 -0.04 -0.12 0.00 -1.18 0.00 0.00 59.36 58.23 3i8f h GLU 104 Cb 0.02 -0.06 -0.02 0.00 -0.16 0.00 0.00 28.75 28.54 3i8f h GLU 104 CO -0.03 0.28 -0.55 0.87 -1.18 0.00 0.00 179.01 178.40 3i8f h LYS 105 N 0.22 0.00 -0.21 1.92 1.57 -0.56 0.19 116.57 119.71 3i8f h LYS 105 Ca 0.07 0.00 -0.04 0.00 -1.87 0.00 0.00 60.65 58.81 3i8f h LYS 105 Cb 0.08 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.38 3i8f h LYS 105 CO -0.01 0.55 -0.03 1.25 -0.57 0.00 0.00 179.45 180.65 3i8f h LEU 106 N 0.00 0.38 0.07 2.94 5.85 0.10 0.37 115.31 125.02 3i8f h LEU 106 Ca -0.01 -0.34 -0.22 0.00 0.84 0.00 0.00 57.88 58.16 3i8f h LEU 106 Cb 1.13 -0.10 0.02 0.00 0.37 0.00 0.00 40.66 42.07 3i8f h LEU 106 CO 0.07 0.63 -0.88 -0.07 -0.34 0.00 0.00 178.44 177.85 3i8f h LEU 107 N 0.13 0.66 -0.11 2.25 3.38 -0.45 -0.68 115.31 120.49 3i8f h LEU 107 Ca 0.06 -0.82 0.00 0.00 0.09 0.00 0.00 57.88 57.21 3i8f h LEU 107 Cb 0.45 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 41.00 3i8f h LEU 107 CO 0.02 1.41 -0.17 0.59 0.09 0.00 0.00 178.44 180.38 3i8f n ASN 108 N -4.04 0.34 0.00 -0.43 4.13 0.67 -4.55 115.26 111.38 3i8f n ASN 108 Ca -0.12 -0.18 0.00 0.00 1.68 0.00 0.00 54.58 55.95 3i8f n ASN 108 Cb 0.82 -0.12 0.00 0.00 -1.54 0.00 0.00 39.78 38.94 3i8f n ASN 108 CO 0.00 0.00 0.00 0.52 0.28 0.00 0.00 177.26 178.06 3i8f n VAL 109 N -1.24 0.00 0.00 2.41 0.31 0.11 -4.98 118.33 114.93 3i8f n VAL 109 Ca 0.10 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.43 3i8f n VAL 109 Cb 0.31 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.24 3i8f n VAL 109 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3i8f n ALA 110 N -0.16 0.00 -0.25 3.52 0.00 0.11 -3.88 120.51 119.85 3i8f n ALA 110 Ca 0.00 0.00 0.15 0.00 0.00 0.00 0.00 53.44 53.59 3i8f n ALA 110 Cb 0.00 0.00 0.28 0.00 0.00 0.00 0.00 19.45 19.73 3i8f n ALA 110 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3i8f n LEU 111 N -0.36 0.01 -0.28 0.00 4.77 -0.34 0.64 117.00 121.45 3i8f n LEU 111 Ca 0.00 1.24 -0.06 0.00 -0.03 0.00 0.00 56.01 57.17 3i8f n LEU 111 Cb 0.00 -0.50 0.06 0.00 -2.33 0.00 0.00 43.42 40.65 3i8f n LEU 111 CO 0.00 -1.30 1.06 -0.65 -1.33 0.00 0.00 177.39 175.17 3i8f h PRO 112 N 0.00 1.11 0.00 3.23 0.11 -1.81 -1.96 132.00 132.69 3i8f h PRO 112 Ca 0.50 -0.18 0.00 0.00 0.11 0.00 0.00 66.00 66.43 3i8f h PRO 112 Cb 1.13 -0.19 0.00 0.00 0.11 0.00 0.00 31.00 32.05 3i8f h PRO 112 CO -0.66 0.89 0.00 0.54 -0.21 0.00 0.00 178.00 178.56 3i8f n ARG 113 N -4.35 0.06 -2.02 1.05 1.74 0.21 -4.71 116.66 108.62 3i8f n ARG 113 Ca 0.07 0.28 -0.41 0.00 -0.77 0.00 0.00 57.85 57.01 3i8f n ARG 113 Cb 0.16 -1.50 -0.02 0.00 -1.02 0.00 0.00 32.46 30.08 3i8f n ARG 113 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 3i8f s ILE 114 N -2.67 2.64 -0.42 0.55 -1.09 -0.74 -4.85 121.20 114.63 3i8f s ILE 114 Ca 0.04 0.56 -0.34 0.00 -2.23 0.00 0.00 60.65 58.68 3i8f s ILE 114 Cb 0.03 -3.36 -0.12 0.00 -1.58 0.00 0.00 42.46 37.44 3i8f s ILE 114 CO 0.08 0.10 2.25 -2.11 -1.23 0.00 0.00 174.94 174.04 3i8f n ARG 115 N 1.89 0.95 0.00 2.79 1.85 -1.26 -3.45 116.66 119.42 3i8f n ARG 115 Ca 0.05 0.23 0.00 0.00 -1.00 0.00 0.00 57.85 57.13 3i8f n ARG 115 Cb 0.40 -2.44 0.00 0.00 -1.05 0.00 0.00 32.46 29.37 3i8f n ARG 115 CO 0.00 0.00 0.00 -0.25 -0.01 0.00 0.00 177.63 177.37 3i8f n ASP 116 N 10.40 0.00 -2.06 2.89 9.92 -1.26 -4.86 116.55 131.58 3i8f n ASP 116 Ca 0.43 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.69 3i8f n ASP 116 Cb 0.23 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.71 3i8f n ASP 116 CO 0.00 0.00 0.00 0.33 0.13 0.00 0.00 177.20 177.66 3i8f n PHE 117 N 0.00 -2.88 -0.05 1.24 7.35 -1.22 -5.00 117.46 116.89 3i8f n PHE 117 Ca 0.00 1.73 -0.04 0.00 -0.76 0.00 0.00 57.45 58.38 3i8f n PHE 117 Cb 0.00 -2.53 -0.01 0.00 0.35 0.00 0.00 39.48 37.29 3i8f n PHE 117 CO 0.00 0.00 0.00 -2.13 -0.76 0.00 0.00 176.76 173.87 3i8f n ARG 118 N 1.86 0.31 -3.60 -4.13 3.00 -1.26 -5.07 116.66 107.77 3i8f n ARG 118 Ca 0.00 0.37 -0.06 0.00 -0.00 0.00 0.00 57.85 58.16 3i8f n ARG 118 Cb 0.00 -1.33 -0.04 0.00 0.00 0.00 0.00 32.46 31.09 3i8f n ARG 118 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.63 177.83 3i8f s GLY 119 N -3.79 -0.13 -0.04 5.14 0.00 -1.26 -4.77 107.32 102.47 3i8f s GLY 119 Ca -0.12 2.28 -0.30 0.00 0.00 0.00 0.00 44.72 46.59 3i8f s GLY 119 CO 0.18 0.99 1.78 1.08 0.00 0.00 0.00 173.10 177.13 3i8f s LEU 120 N -1.23 4.31 -0.38 0.66 1.43 -0.37 -4.14 118.68 118.95 3i8f s LEU 120 Ca 0.04 2.34 -0.44 0.00 -1.03 0.00 0.00 54.13 55.04 3i8f s LEU 120 Cb -0.01 -3.53 -0.18 0.00 0.03 0.00 0.00 46.19 42.50 3i8f s LEU 120 CO -0.03 -1.03 1.64 -3.20 0.23 0.00 0.00 176.35 173.96 3i8f n ASN 121 N 7.51 1.65 0.14 2.29 4.05 -1.26 -2.87 115.26 126.76 3i8f n ASN 121 Ca 0.19 1.14 -0.01 0.00 0.45 0.00 0.00 54.58 56.35 3i8f n ASN 121 Cb 0.42 -0.99 0.20 0.00 1.23 0.00 0.00 39.78 40.64 3i8f n ASN 121 CO 0.00 0.00 0.00 1.55 -3.05 0.00 0.00 177.26 175.76 3i8f h PRO 122 N 5.81 0.05 0.00 1.20 0.13 -1.89 -3.14 132.00 134.16 3i8f h PRO 122 Ca -0.45 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 3i8f h PRO 122 Cb 1.35 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.48 3i8f h PRO 122 CO 0.96 0.59 0.00 0.09 -0.23 0.00 0.00 178.00 179.41 3i8f n ASN 123 N -3.88 0.59 -2.37 1.44 5.03 -1.26 -4.29 115.26 110.52 3i8f n ASN 123 Ca -0.01 0.64 -0.04 0.00 0.87 0.00 0.00 54.58 56.04 3i8f n ASN 123 Cb 0.57 -0.77 -0.05 0.00 -1.02 0.00 0.00 39.78 38.51 3i8f n ASN 123 CO 0.00 0.00 0.00 -1.20 -1.83 0.00 0.00 177.26 174.23 3i8f n SER 124 N -2.15 1.78 -3.98 6.41 7.64 -1.19 -4.73 113.62 117.40 3i8f n SER 124 Ca 0.02 -1.84 -0.30 0.00 1.01 0.00 0.00 58.87 57.76 3i8f n SER 124 Cb 0.22 -0.49 -0.16 0.00 -1.01 0.00 0.00 64.21 62.78 3i8f n SER 124 CO 0.00 0.00 0.00 -0.36 -3.01 0.00 0.00 175.04 171.67 3i8f s PHE 125 N 2.42 2.39 -0.95 1.43 0.40 -1.26 -3.17 117.98 119.24 3i8f s PHE 125 Ca 0.22 -1.61 0.00 0.00 -0.60 0.00 0.00 56.93 54.94 3i8f s PHE 125 Cb 0.10 -1.61 0.00 0.00 0.51 0.00 0.00 43.02 42.02 3i8f s PHE 125 CO -0.00 -0.74 0.48 -0.40 0.70 0.00 0.00 175.22 175.25 3i8f n ASP 126 N 4.69 0.00 -0.91 1.36 5.75 -1.07 -4.72 116.55 121.66 3i8f n ASP 126 Ca -0.14 0.11 -0.04 0.00 -0.01 0.00 0.00 54.79 54.71 3i8f n ASP 126 Cb 0.46 -0.11 0.01 0.00 -1.03 0.00 0.00 41.12 40.45 3i8f n ASP 126 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3i8f n GLY 127 N -0.98 0.66 0.57 6.12 0.00 -1.26 -4.91 105.19 105.39 3i8f n GLY 127 Ca 0.00 -0.56 -0.01 0.00 0.00 0.00 0.00 46.02 45.45 3i8f n GLY 127 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3i8f n ARG 128 N -1.22 0.00 -1.85 1.61 5.12 -1.26 -4.61 116.66 114.44 3i8f n ARG 128 Ca -0.00 -0.17 -0.02 0.00 -1.93 0.00 0.00 57.85 55.72 3i8f n ARG 128 Cb 0.51 0.09 0.01 0.00 -1.16 0.00 0.00 32.46 31.91 3i8f n ARG 128 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 3i8f n GLY 129 N 0.00 0.14 3.64 -0.13 0.00 -1.24 -4.56 105.19 103.03 3i8f n GLY 129 Ca -0.05 -0.08 -0.09 0.00 0.00 0.00 0.00 46.02 45.80 3i8f n GLY 129 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3i8f s ASN 130 N -2.78 -0.61 0.18 1.61 0.01 -1.26 -2.57 114.94 109.52 3i8f s ASN 130 Ca 0.06 1.10 0.09 0.00 -0.71 0.00 0.00 52.86 53.40 3i8f s ASN 130 Cb -0.01 1.16 -0.04 0.00 0.41 0.00 0.00 41.25 42.77 3i8f s ASN 130 CO 0.16 -0.18 -0.09 -0.47 -1.51 0.00 0.00 177.10 175.00 3i8f s TYR 131 N 0.65 2.64 -0.02 2.20 5.04 -0.19 -2.60 117.35 125.08 3i8f s TYR 131 Ca -0.02 -0.22 -0.05 0.00 -2.44 0.00 0.00 57.07 54.34 3i8f s TYR 131 Cb -0.05 -1.29 0.01 0.00 0.35 0.00 0.00 41.96 40.98 3i8f s TYR 131 CO -0.08 0.51 0.13 -0.80 -1.34 0.00 0.00 175.55 173.97 3i8f s ASN 132 N -2.82 -0.05 0.16 4.32 0.01 -1.19 -0.63 114.94 114.75 3i8f s ASN 132 Ca 0.25 0.02 -0.17 0.00 -0.71 0.00 0.00 52.86 52.25 3i8f s ASN 132 Cb -0.09 0.24 0.03 0.00 0.41 0.00 0.00 41.25 41.84 3i8f s ASN 132 CO 0.15 -0.20 0.47 -1.48 -1.51 0.00 0.00 177.10 174.53 3i8f s LEU 133 N -0.64 0.21 -0.05 0.60 2.34 -0.67 -4.88 118.68 115.60 3i8f s LEU 133 Ca -0.07 -0.41 0.03 0.00 0.06 0.00 0.00 54.13 53.74 3i8f s LEU 133 Cb -0.04 2.00 0.01 0.00 -0.56 0.00 0.00 46.19 47.59 3i8f s LEU 133 CO 0.01 -0.96 -0.13 -0.83 -1.06 0.00 0.00 176.35 173.38 3i8f s GLY 134 N -2.84 0.77 -0.15 -3.48 0.00 -1.26 -1.13 107.32 99.22 3i8f s GLY 134 Ca 0.07 -0.47 -0.02 0.00 0.00 0.00 0.00 44.72 44.30 3i8f s GLY 134 CO -0.07 -0.05 -0.08 1.08 0.00 0.00 0.00 173.10 173.98 3i8f s LEU 135 N 0.40 2.96 0.00 0.66 1.02 0.11 -5.00 118.68 118.84 3i8f s LEU 135 Ca -0.09 -0.25 0.00 0.00 0.02 0.00 0.00 54.13 53.81 3i8f s LEU 135 Cb -0.13 -1.70 0.00 0.00 0.02 0.00 0.00 46.19 44.38 3i8f s LEU 135 CO 0.03 0.15 0.05 0.54 0.02 0.00 0.00 176.35 177.13 3i8f n ARG 136 N 3.66 0.00 -2.39 1.70 1.74 -1.26 -1.13 116.66 118.98 3i8f n ARG 136 Ca -0.18 0.00 -0.42 0.00 -0.77 0.00 0.00 57.85 56.48 3i8f n ARG 136 Cb 0.52 -0.32 -0.03 0.00 -1.02 0.00 0.00 32.46 31.61 3i8f n ARG 136 CO 0.00 0.00 0.00 -1.83 -1.52 0.00 0.00 177.63 174.28 3i8f s GLU 137 N -0.09 4.43 0.00 5.56 -1.05 -1.26 -1.16 118.70 125.13 3i8f s GLU 137 Ca 0.00 1.82 0.29 0.00 -0.15 0.00 0.00 54.97 56.93 3i8f s GLU 137 Cb 0.00 -3.32 1.19 0.00 -0.44 0.00 0.00 34.13 31.57 3i8f s GLU 137 CO 0.00 -0.24 1.89 0.00 0.95 0.00 0.00 175.26 177.86 3i8f n GLN 138 N 3.67 0.02 0.02 -4.83 0.00 -1.25 -3.58 117.38 111.42 3i8f n GLN 138 Ca 0.08 -0.00 0.08 0.00 0.00 0.00 0.00 57.00 57.16 3i8f n GLN 138 Cb 0.46 -1.50 0.34 0.00 0.00 0.00 0.00 30.24 29.54 3i8f n GLN 138 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.06 178.53 3i8f n LEU 139 N -1.49 0.10 0.22 2.61 -0.00 -1.26 -2.52 117.00 114.66 3i8f n LEU 139 Ca 0.07 0.52 0.15 0.00 -0.00 0.00 0.00 56.01 56.76 3i8f n LEU 139 Cb 0.34 -0.51 0.80 0.00 -0.00 0.00 0.00 43.42 44.04 3i8f n LEU 139 CO 0.27 -0.29 0.95 0.16 -0.00 0.00 0.00 177.39 178.49 3i8f h ILE 140 N 0.00 0.00 -3.77 1.47 3.07 -1.91 -3.42 117.51 112.95 3i8f h ILE 140 Ca 0.00 -0.03 -0.49 0.00 1.55 0.00 0.00 64.86 65.90 3i8f h ILE 140 Cb 0.27 0.71 -0.02 0.00 -0.27 0.00 0.00 36.82 37.50 3i8f h ILE 140 CO 0.00 0.00 0.25 -0.36 -1.05 0.00 0.00 178.15 176.99 3i8f s PHE 141 N -3.74 3.64 0.17 0.16 0.08 -1.05 -4.34 117.98 112.92 3i8f s PHE 141 Ca -0.03 1.61 -0.09 0.00 0.12 0.00 0.00 56.93 58.54 3i8f s PHE 141 Cb 0.09 -2.79 0.05 0.00 -0.57 0.00 0.00 43.02 39.79 3i8f s PHE 141 CO 0.29 0.24 1.56 -1.00 -0.10 0.00 0.00 175.22 176.21 3i8f h PRO 142 N 3.17 0.95 0.00 0.24 0.13 -1.87 -2.97 132.00 131.65 3i8f h PRO 142 Ca -0.47 -0.41 0.00 0.00 -0.87 0.00 0.00 66.00 64.25 3i8f h PRO 142 Cb 1.19 -0.03 0.00 0.00 0.13 0.00 0.00 31.00 32.29 3i8f h PRO 142 CO 0.65 1.07 0.00 0.39 -0.23 0.00 0.00 178.00 179.88 3i8f n GLU 143 N -4.11 0.26 -4.05 0.86 4.71 -1.26 -4.51 120.64 112.55 3i8f n GLU 143 Ca -0.00 0.00 -0.35 0.00 -0.01 0.00 0.00 57.16 56.80 3i8f n GLU 143 Cb 0.46 -1.36 -0.13 0.00 -1.01 0.00 0.00 31.44 29.40 3i8f n GLU 143 CO 0.00 0.00 0.00 0.42 0.09 0.00 0.00 177.13 177.64 3i8f s ILE 144 N -2.00 3.75 -2.00 -3.67 -1.09 -1.12 -4.90 121.20 110.17 3i8f s ILE 144 Ca 0.09 -0.38 0.16 0.00 -2.23 0.00 0.00 60.65 58.29 3i8f s ILE 144 Cb 0.04 -2.70 0.45 0.00 -1.58 0.00 0.00 42.46 38.67 3i8f s ILE 144 CO 0.07 0.43 1.58 0.35 -1.23 0.00 0.00 174.94 176.13 3i8f n THR 145 N 4.41 0.00 0.00 2.92 -2.24 -1.26 -4.92 114.28 113.18 3i8f n THR 145 Ca -0.17 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.61 3i8f n THR 145 Cb 0.52 -0.28 0.00 0.00 -2.10 0.00 0.00 70.33 68.47 3i8f n THR 145 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3i8f n TYR 146 N -0.76 0.00 0.19 4.78 9.36 -1.26 -4.18 117.16 125.29 3i8f n TYR 146 Ca 0.12 0.00 0.17 0.00 3.32 0.00 0.00 57.90 61.51 3i8f n TYR 146 Cb 0.05 0.00 0.67 0.00 -0.63 0.00 0.00 39.34 39.43 3i8f n TYR 146 CO 0.00 0.00 0.00 0.38 0.22 0.00 0.00 176.86 177.46 3i8f h ASP 147 N 0.00 0.00 0.92 2.98 3.04 -2.03 0.61 116.42 121.94 3i8f h ASP 147 Ca 0.00 0.00 -0.06 0.00 -3.24 0.00 0.00 57.03 53.73 3i8f h ASP 147 Cb 0.00 0.00 -0.01 0.00 -1.04 0.00 0.00 39.33 38.28 3i8f h ASP 147 CO 0.00 0.00 -0.27 -0.03 -2.04 0.00 0.00 179.24 176.90 3i8f h MET 148 N 0.00 0.00 -7.51 4.15 4.05 -1.96 -3.45 114.93 110.21 3i8f h MET 148 Ca 0.12 0.00 -0.45 0.00 -0.28 0.00 0.00 59.70 59.09 3i8f h MET 148 Cb 1.18 0.00 0.15 0.00 -0.80 0.00 0.00 31.60 32.12 3i8f h MET 148 CO -0.00 0.27 0.28 0.14 0.23 0.00 0.00 176.91 177.83 3i8f s VAL 149 N -3.63 1.94 0.00 -5.77 -7.23 0.21 -5.00 120.40 100.93 3i8f s VAL 149 Ca 0.01 0.00 0.00 0.00 -1.81 0.00 0.00 61.98 60.18 3i8f s VAL 149 Cb 0.10 -2.72 0.00 0.00 0.56 0.00 0.00 36.38 34.32 3i8f s VAL 149 CO 0.65 0.00 0.00 -0.90 -0.31 0.00 0.00 175.10 174.54 3i8f n ASP 150 N -3.94 0.00 -3.73 4.85 5.75 -1.26 -5.06 116.55 113.16 3i8f n ASP 150 Ca 0.08 0.00 -0.12 0.00 -0.01 0.00 0.00 54.79 54.74 3i8f n ASP 150 Cb 0.59 0.00 -0.12 0.00 -1.03 0.00 0.00 41.12 40.56 3i8f n ASP 150 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3i8f s ALA 151 N -0.45 -0.73 -1.27 2.12 0.00 -1.26 -5.06 121.76 115.11 3i8f s ALA 151 Ca 0.00 1.09 -0.16 0.00 0.00 0.00 0.00 51.96 52.89 3i8f s ALA 151 Cb 0.00 -0.67 -0.02 0.00 0.00 0.00 0.00 23.12 22.43 3i8f s ALA 151 CO 0.00 -0.20 2.19 1.28 0.00 0.00 0.00 175.76 179.03 3i8f n LEU 152 N 3.89 6.20 -4.72 0.00 4.77 -1.26 -4.89 117.00 120.98 3i8f n LEU 152 Ca -0.22 -3.79 -0.40 0.00 -0.03 0.00 0.00 56.01 51.58 3i8f n LEU 152 Cb 0.55 -1.49 -0.05 0.00 -2.33 0.00 0.00 43.42 40.10 3i8f n LEU 152 CO 0.13 0.77 0.40 0.00 -1.33 0.00 0.00 177.39 177.36 3i8f s ARG 153 N 3.62 4.44 0.00 3.23 1.70 -1.26 -4.58 118.95 126.10 3i8f s ARG 153 Ca 0.51 0.90 0.00 0.00 -0.47 0.00 0.00 55.73 56.67 3i8f s ARG 153 Cb 0.14 -3.44 0.00 0.00 -0.57 0.00 0.00 34.95 31.09 3i8f s ARG 153 CO -0.03 0.09 0.00 0.41 -1.08 0.00 0.00 175.30 174.69 3i8f n GLY 154 N 3.02 -0.34 0.00 3.88 0.00 -0.31 -3.75 105.19 107.69 3i8f n GLY 154 Ca -0.01 -1.22 0.00 0.00 0.00 0.00 0.00 46.02 44.78 3i8f n GLY 154 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 173.32 174.47 3i8f n MET 155 N 0.00 0.00 -4.94 1.61 0.00 -0.29 -4.86 117.12 108.64 3i8f n MET 155 Ca 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 57.70 57.43 3i8f n MET 155 Cb 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 33.22 33.06 3i8f n MET 155 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 175.97 175.46 3i8f s ASP 156 N 0.00 2.39 -0.12 3.17 1.01 0.25 -0.71 116.67 122.66 3i8f s ASP 156 Ca 0.00 -0.39 -0.06 0.00 0.71 0.00 0.00 52.55 52.80 3i8f s ASP 156 Cb 0.00 -0.67 -0.04 0.00 1.01 0.00 0.00 42.92 43.22 3i8f s ASP 156 CO 0.00 0.17 0.11 -0.63 0.21 0.00 0.00 175.17 175.03 3i8f s ILE 157 N -0.00 5.22 -0.26 0.77 1.01 -0.29 0.66 121.20 128.31 3i8f s ILE 157 Ca -0.04 0.10 0.00 0.00 0.00 0.00 0.00 60.65 60.71 3i8f s ILE 157 Cb -0.12 -3.27 0.07 0.00 0.01 0.00 0.00 42.46 39.15 3i8f s ILE 157 CO 0.03 0.60 -0.00 0.00 0.00 0.00 0.00 174.94 175.56 3i8f s ALA 158 N -0.85 1.89 -0.31 9.38 0.00 0.20 -1.67 121.76 130.40 3i8f s ALA 158 Ca 0.14 -1.49 -0.16 0.00 0.00 0.00 0.00 51.96 50.44 3i8f s ALA 158 Cb -0.12 -1.51 -0.02 0.00 0.00 0.00 0.00 23.12 21.47 3i8f s ALA 158 CO 0.03 -1.34 0.41 0.54 0.00 0.00 0.00 175.76 175.40 3i8f s VAL 159 N 1.43 5.12 -0.01 0.00 0.11 0.20 -0.01 120.40 127.23 3i8f s VAL 159 Ca -0.00 0.36 -0.08 0.00 -2.93 0.00 0.00 61.98 59.33 3i8f s VAL 159 Cb -0.18 -3.81 -0.05 0.00 -1.53 0.00 0.00 36.38 30.80 3i8f s VAL 159 CO -0.10 -0.02 0.27 -0.69 -3.33 0.00 0.00 175.10 171.22 3i8f s VAL 160 N 2.15 5.29 0.19 2.04 1.01 0.73 -1.02 120.40 130.81 3i8f s VAL 160 Ca 0.15 0.29 0.04 0.00 0.00 0.00 0.00 61.98 62.46 3i8f s VAL 160 Cb -0.16 -3.56 -0.05 0.00 0.00 0.00 0.00 36.38 32.61 3i8f s VAL 160 CO 0.11 0.44 -0.04 -0.89 0.00 0.00 0.00 175.10 174.72 3i8f s THR 161 N -1.22 1.07 -2.30 3.92 2.01 -1.06 -2.66 115.64 115.39 3i8f s THR 161 Ca 0.25 -2.04 0.21 0.00 0.31 0.00 0.00 61.69 60.42 3i8f s THR 161 Cb -0.13 -2.14 0.46 0.00 0.01 0.00 0.00 72.50 70.70 3i8f s THR 161 CO 0.13 -0.50 1.44 0.35 -0.69 0.00 0.00 174.62 175.36 3i8f n THR 162 N -0.32 0.53 -2.27 -0.82 -2.24 -1.11 -4.86 114.28 103.19 3i8f n THR 162 Ca -0.07 -0.68 -0.42 0.00 -2.27 0.00 0.00 64.05 60.61 3i8f n THR 162 Cb 0.63 0.69 -0.03 0.00 -2.10 0.00 0.00 70.33 69.51 3i8f n THR 162 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3i8f s ALA 163 N -1.47 3.51 0.25 6.98 0.00 -1.26 -4.84 121.76 124.92 3i8f s ALA 163 Ca 0.38 1.02 0.05 0.00 0.00 0.00 0.00 51.96 53.41 3i8f s ALA 163 Cb 0.21 -3.49 0.30 0.00 0.00 0.00 0.00 23.12 20.13 3i8f s ALA 163 CO 0.29 -0.53 1.59 0.93 0.00 0.00 0.00 175.76 178.04 3i8f h GLU 164 N 6.58 0.24 -6.67 0.00 5.08 -1.91 -3.30 114.58 114.60 3i8f h GLU 164 Ca -0.42 -0.15 -0.69 0.00 -1.00 0.00 0.00 59.36 57.09 3i8f h GLU 164 Cb 1.21 0.02 -0.25 0.00 0.50 0.00 0.00 28.75 30.23 3i8f h GLU 164 CO 0.83 0.73 -0.85 0.95 -1.00 0.00 0.00 179.01 179.68 3i8f s THR 165 N -3.86 2.40 -2.00 1.13 -4.23 -1.26 -4.31 115.64 103.52 3i8f s THR 165 Ca -0.04 -1.31 0.20 0.00 -1.18 0.00 0.00 61.69 59.36 3i8f s THR 165 Cb 0.12 -1.97 0.58 0.00 1.34 0.00 0.00 72.50 72.57 3i8f s THR 165 CO 0.79 0.36 1.65 -0.90 -0.54 0.00 0.00 174.62 175.97 3i8f n ASP 166 N 1.69 0.00 -0.07 3.99 5.75 -1.26 -2.43 116.55 124.21 3i8f n ASP 166 Ca -0.17 -0.92 -0.08 0.00 -0.01 0.00 0.00 54.79 53.61 3i8f n ASP 166 Cb 0.52 0.00 -0.04 0.00 -1.03 0.00 0.00 41.12 40.57 3i8f n ASP 166 CO 0.00 0.00 0.00 -0.08 -0.11 0.00 0.00 177.20 177.01 3i8f h GLU 167 N 0.00 0.00 -1.00 0.11 4.22 -1.97 -3.04 114.58 112.90 3i8f h GLU 167 Ca 0.00 0.00 0.15 0.00 0.08 0.00 0.00 59.36 59.59 3i8f h GLU 167 Cb 0.00 0.00 -0.09 0.00 0.50 0.00 0.00 28.75 29.16 3i8f h GLU 167 CO 0.00 0.28 0.62 0.93 -2.18 0.00 0.00 179.01 178.66 3i8f h GLU 168 N -1.00 0.85 -0.90 1.92 5.08 -1.96 0.90 114.58 119.47 3i8f h GLU 168 Ca -0.07 -0.05 -0.00 0.00 -1.00 0.00 0.00 59.36 58.23 3i8f h GLU 168 Cb 0.60 -0.19 -0.04 0.00 0.50 0.00 0.00 28.75 29.62 3i8f h GLU 168 CO -0.04 0.56 0.54 0.00 -1.00 0.00 0.00 179.01 179.07 3i8f h ALA 169 N 1.59 1.15 -0.59 3.43 0.00 -1.61 -1.90 119.26 121.33 3i8f h ALA 169 Ca 0.53 -0.10 0.12 0.00 0.00 0.00 0.00 54.91 55.46 3i8f h ALA 169 Cb 0.70 -0.36 -0.11 0.00 0.00 0.00 0.00 17.79 18.01 3i8f h ALA 169 CO -0.32 0.61 -0.17 -0.09 0.00 0.00 0.00 179.25 179.28 3i8f h ARG 170 N 1.24 -0.02 -0.80 0.00 9.65 -0.69 0.23 114.38 123.99 3i8f h ARG 170 Ca 0.32 0.00 0.12 0.00 -1.10 0.00 0.00 59.98 59.32 3i8f h ARG 170 Cb -0.05 0.00 -0.08 0.00 -1.39 0.00 0.00 29.97 28.45 3i8f h ARG 170 CO -0.06 -0.01 0.42 0.00 2.80 0.00 0.00 179.97 183.11 3i8f h ALA 171 N 1.54 1.16 0.83 2.80 0.00 -1.25 0.30 119.26 124.63 3i8f h ALA 171 Ca 0.28 0.06 -0.04 0.00 0.00 0.00 0.00 54.91 55.22 3i8f h ALA 171 Cb 0.45 -0.05 0.01 0.00 0.00 0.00 0.00 17.79 18.20 3i8f h ALA 171 CO -0.62 -0.03 -0.40 1.25 0.00 0.00 0.00 179.25 179.45 3i8f h LEU 172 N 0.65 -0.94 -1.85 0.00 5.85 -0.32 0.28 115.31 118.99 3i8f h LEU 172 Ca 0.41 0.03 -0.02 0.00 0.84 0.00 0.00 57.88 59.14 3i8f h LEU 172 Cb 0.50 0.24 -0.00 0.00 0.37 0.00 0.00 40.66 41.77 3i8f h LEU 172 CO -0.31 -0.63 -0.12 -0.07 -0.34 0.00 0.00 178.44 176.97 3i8f h LEU 173 N -1.19 0.00 0.85 2.25 3.38 -1.29 0.44 115.31 119.75 3i8f h LEU 173 Ca -0.11 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.82 3i8f h LEU 173 Cb 0.85 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.60 3i8f h LEU 173 CO 0.19 0.12 -0.47 -0.33 0.09 0.00 0.00 178.44 178.03 3i8f h GLU 174 N 0.00 -1.18 0.66 1.13 4.39 -0.10 0.32 114.58 119.80 3i8f h GLU 174 Ca -0.00 0.08 -0.03 0.00 0.34 0.00 0.00 59.36 59.75 3i8f h GLU 174 Cb 0.38 0.27 0.01 0.00 -0.10 0.00 0.00 28.75 29.30 3i8f h GLU 174 CO 0.01 -0.79 -0.32 -0.07 -1.16 0.00 0.00 179.01 176.69 3i8f h LEU 175 N -1.22 -0.75 -0.57 1.33 3.38 -0.54 -3.18 115.31 113.76 3i8f h LEU 175 Ca -0.11 0.03 0.22 0.00 0.09 0.00 0.00 57.88 58.10 3i8f h LEU 175 Cb 0.97 0.19 -0.10 0.00 0.09 0.00 0.00 40.66 41.81 3i8f h LEU 175 CO 0.15 -0.46 0.23 0.18 0.09 0.00 0.00 178.44 178.63 3i8f n LEU 176 N -4.82 0.13 0.00 1.67 4.77 0.11 -4.60 117.00 114.25 3i8f n LEU 176 Ca -0.11 0.94 0.00 0.00 -0.03 0.00 0.00 56.01 56.81 3i8f n LEU 176 Cb 0.35 -0.43 0.00 0.00 -2.33 0.00 0.00 43.42 41.01 3i8f n LEU 176 CO 0.26 -1.03 0.00 0.61 -1.33 0.00 0.00 177.39 175.90 3i8f n GLY 177 N -1.18 -0.39 3.63 -0.72 0.00 -1.13 -5.06 105.19 100.33 3i8f n GLY 177 Ca 0.19 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.78 3i8f n GLY 177 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3i8f s PHE 178 N -0.36 2.76 -0.21 1.61 0.40 0.11 -4.96 117.98 117.33 3i8f s PHE 178 Ca 0.00 0.91 -0.29 0.00 -0.60 0.00 0.00 56.93 56.95 3i8f s PHE 178 Cb 0.00 -3.89 -0.02 0.00 0.51 0.00 0.00 43.02 39.62 3i8f s PHE 178 CO 0.00 -1.56 1.40 -1.25 0.70 0.00 0.00 175.22 174.51 3i8f s PRO 179 N 4.10 4.01 -0.10 0.24 0.04 -1.26 -4.50 135.00 137.54 3i8f s PRO 179 Ca 0.54 1.57 -0.02 0.00 0.04 0.00 0.00 61.00 63.14 3i8f s PRO 179 Cb -0.16 -3.89 -0.03 0.00 0.04 0.00 0.00 34.50 30.46 3i8f s PRO 179 CO 0.22 -1.01 -0.02 -0.06 0.04 0.00 0.00 177.00 176.18 3i8f s PHE 180 N 4.27 3.09 -2.00 0.56 0.40 -1.26 -1.23 117.98 121.80 3i8f s PHE 180 Ca 0.61 0.05 0.00 0.00 -0.60 0.00 0.00 56.93 56.99 3i8f s PHE 180 Cb -0.22 -1.82 0.03 0.00 0.51 0.00 0.00 43.02 41.52 3i8f s PHE 180 CO 0.22 0.32 0.19 -2.13 0.70 0.00 0.00 175.22 174.52 3i8f n ARG 181 N 2.52 0.09 -0.67 0.44 0.63 -1.14 -4.75 116.66 113.78 3i8f n ARG 181 Ca -0.18 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.75 3i8f n ARG 181 Cb 0.53 -1.09 0.00 0.00 0.45 0.00 0.00 32.46 32.36 3i8f n ARG 181 CO 0.00 0.00 0.00 1.63 -2.51 0.00 0.00 177.63 176.75