#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x4f s SER 2 N 0.00 -0.14 -0.27 1.61 0.01 -1.26 -5.18 113.70 108.47 1x4f s SER 2 Ca 0.00 0.15 -0.34 0.00 1.31 0.00 0.00 55.95 57.08 1x4f s SER 2 Cb 0.00 1.15 0.17 0.00 0.21 0.00 0.00 66.02 67.55 1x4f s SER 2 CO 0.00 -0.03 1.33 -0.55 0.41 0.00 0.00 173.24 174.40 1x4f s SER 3 N 2.43 -0.06 0.33 2.44 0.15 -1.26 -5.19 113.70 112.54 1x4f s SER 3 Ca -0.03 0.03 0.03 0.00 0.70 0.00 0.00 55.95 56.68 1x4f s SER 3 Cb -0.04 0.05 -0.05 0.00 -1.71 0.00 0.00 66.02 64.27 1x4f s SER 3 CO -0.13 -0.08 0.09 -0.83 1.20 0.00 0.00 173.24 173.50 1x4f s GLY 4 N -1.57 2.13 0.05 9.45 0.00 -1.26 -5.17 107.32 110.95 1x4f s GLY 4 Ca 0.10 -1.78 -0.09 0.00 0.00 0.00 0.00 44.72 42.94 1x4f s GLY 4 CO -0.05 -1.75 0.19 -0.45 0.00 0.00 0.00 173.10 171.04 1x4f s SER 5 N -3.47 0.07 0.00 1.64 0.15 -1.26 -5.17 113.70 105.67 1x4f s SER 5 Ca 0.34 -0.46 0.00 0.00 0.70 0.00 0.00 55.95 56.53 1x4f s SER 5 Cb 0.07 0.30 0.00 0.00 -1.71 0.00 0.00 66.02 64.68 1x4f s SER 5 CO 0.15 -0.60 0.00 -1.20 1.20 0.00 0.00 173.24 172.79 1x4f n SER 6 N 0.49 0.00 0.00 5.45 7.64 -1.26 -5.02 113.62 120.91 1x4f n SER 6 Ca -0.18 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.70 1x4f n SER 6 Cb 0.60 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.80 1x4f n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1x4f n GLY 7 N -0.14 3.16 3.26 0.23 0.00 -1.26 -5.06 105.19 105.38 1x4f n GLY 7 Ca 0.00 -0.97 -0.54 0.00 0.00 0.00 0.00 46.02 44.51 1x4f n GLY 7 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1x4f n LYS 8 N 0.00 0.00 -3.77 1.61 2.85 -1.26 -4.96 118.16 112.63 1x4f n LYS 8 Ca 0.00 0.00 -0.13 0.00 -1.05 0.00 0.00 58.31 57.13 1x4f n LYS 8 Cb 0.00 -1.36 -0.10 0.00 -0.65 0.00 0.00 35.03 32.92 1x4f n LYS 8 CO 0.00 0.00 0.00 0.15 -0.05 0.00 0.00 177.40 177.50 1x4f s LYS 9 N -0.08 0.45 0.50 -1.58 -0.14 -1.26 -4.91 119.74 112.72 1x4f s LYS 9 Ca 0.83 0.20 -0.21 0.00 -1.36 0.00 0.00 55.97 55.43 1x4f s LYS 9 Cb -1.16 0.21 -0.07 0.00 -1.68 0.00 0.00 37.83 35.13 1x4f s LYS 9 CO 0.53 -0.09 1.14 -1.25 -0.76 0.00 0.00 175.35 174.93 1x4f s PRO 10 N -0.35 3.55 0.00 -1.68 0.04 -1.26 -4.84 135.00 130.46 1x4f s PRO 10 Ca -0.05 1.68 0.15 0.00 0.04 0.00 0.00 61.00 62.83 1x4f s PRO 10 Cb -0.03 -2.19 0.20 0.00 0.04 0.00 0.00 34.50 32.51 1x4f s PRO 10 CO 0.02 -0.70 1.08 -0.85 0.04 0.00 0.00 177.00 176.58 1x4f n GLU 11 N -0.92 1.57 -2.93 4.56 0.28 -1.26 -5.06 120.64 116.89 1x4f n GLU 11 Ca 0.10 -1.63 -0.02 0.00 -0.16 0.00 0.00 57.16 55.45 1x4f n GLU 11 Cb 0.50 -1.31 -0.01 0.00 1.43 0.00 0.00 31.44 32.04 1x4f n GLU 11 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1x4f n GLY 12 N 0.87 -2.04 3.57 -1.84 0.00 -1.26 -5.05 105.19 99.44 1x4f n GLY 12 Ca 0.11 0.55 -0.16 0.00 0.00 0.00 0.00 46.02 46.52 1x4f n GLY 12 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1x4f s LYS 13 N -0.66 0.92 0.00 1.61 -2.85 -1.26 -5.18 119.74 112.32 1x4f s LYS 13 Ca -0.08 0.58 0.00 0.00 -1.00 0.00 0.00 55.97 55.47 1x4f s LYS 13 Cb 0.01 0.44 0.00 0.00 -2.06 0.00 0.00 37.83 36.22 1x4f s LYS 13 CO 0.33 -0.21 0.00 -0.35 0.10 0.00 0.00 175.35 175.22 1x4f n PRO 14 N 1.70 0.21 -3.32 1.78 -0.04 -1.26 -4.88 135.00 129.20 1x4f n PRO 14 Ca -0.16 0.00 -0.08 0.00 -0.04 0.00 0.00 63.50 63.22 1x4f n PRO 14 Cb 0.56 0.00 -0.07 0.00 -0.04 0.00 0.00 33.50 33.96 1x4f n PRO 14 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1x4f s ASP 15 N -1.52 0.14 0.27 3.54 1.01 -1.26 -5.03 116.67 113.83 1x4f s ASP 15 Ca 0.00 0.07 -0.00 0.00 0.71 0.00 0.00 52.55 53.33 1x4f s ASP 15 Cb 0.00 1.20 0.63 0.00 1.01 0.00 0.00 42.92 45.76 1x4f s ASP 15 CO 0.00 -0.31 1.66 1.56 0.21 0.00 0.00 175.17 178.29 1x4f h GLN 16 N 8.16 0.23 -6.62 8.23 4.20 -2.02 -3.39 115.11 123.91 1x4f h GLN 16 Ca -0.16 -0.01 -0.52 0.00 0.06 0.00 0.00 58.65 58.02 1x4f h GLN 16 Cb 1.14 -0.05 0.01 0.00 0.30 0.00 0.00 27.48 28.88 1x4f h GLN 16 CO 0.27 0.15 0.52 -1.59 -0.67 0.00 0.00 178.83 177.51 1x4f s LYS 17 N -5.97 4.52 0.00 1.46 -2.85 -1.26 -4.98 119.74 110.66 1x4f s LYS 17 Ca -0.12 1.78 0.00 0.00 -1.00 0.00 0.00 55.97 56.63 1x4f s LYS 17 Cb 0.24 -3.28 0.00 0.00 -2.06 0.00 0.00 37.83 32.73 1x4f s LYS 17 CO 0.77 -0.06 0.00 0.34 0.10 0.00 0.00 175.35 176.50 1x4f n PHE 18 N 2.79 0.00 0.06 1.78 7.35 -1.26 -5.11 117.46 123.07 1x4f n PHE 18 Ca 0.05 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.74 1x4f n PHE 18 Cb 0.46 0.00 0.00 0.00 0.35 0.00 0.00 39.48 40.29 1x4f n PHE 18 CO 0.00 0.00 0.00 -0.25 -0.76 0.00 0.00 176.76 175.75 1x4f n ASP 19 N 0.00 -1.09 -3.55 -2.13 9.92 -1.26 -5.17 116.55 113.27 1x4f n ASP 19 Ca 0.00 0.32 -0.05 0.00 -0.53 0.00 0.00 54.79 54.53 1x4f n ASP 19 Cb 0.00 1.27 -0.00 0.00 -0.64 0.00 0.00 41.12 41.74 1x4f n ASP 19 CO 0.00 0.00 0.00 -1.58 0.13 0.00 0.00 177.20 175.75 1x4f s GLN 20 N -1.42 1.61 0.39 -1.24 0.74 -1.26 -5.08 119.66 113.40 1x4f s GLN 20 Ca 0.00 -0.95 0.00 0.00 0.05 0.00 0.00 55.36 54.46 1x4f s GLN 20 Cb 0.00 0.51 0.00 0.00 1.10 0.00 0.00 33.01 34.62 1x4f s GLN 20 CO 0.00 -0.74 0.00 0.36 -0.55 0.00 0.00 175.29 174.36 1x4f n LYS 21 N -0.52 0.00 -3.80 1.67 2.85 -1.26 -4.68 118.16 112.42 1x4f n LYS 21 Ca -0.05 0.00 -0.26 0.00 -1.05 0.00 0.00 58.31 56.94 1x4f n LYS 21 Cb 0.60 0.00 -0.07 0.00 -0.65 0.00 0.00 35.03 34.91 1x4f n LYS 21 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1x4f n GLN 22 N -0.06 -0.89 -1.37 -1.58 10.64 -1.26 -3.95 117.38 118.91 1x4f n GLN 22 Ca 0.00 0.08 0.00 0.00 -1.83 0.00 0.00 57.00 55.25 1x4f n GLN 22 Cb 0.00 -2.97 0.00 0.00 -0.86 0.00 0.00 30.24 26.41 1x4f n GLN 22 CO 0.00 0.00 0.00 -1.91 -1.83 0.00 0.00 177.06 173.32 1x4f n GLU 23 N -3.43 -3.75 -0.12 2.61 4.07 -1.26 -4.99 120.64 113.76 1x4f n GLU 23 Ca -0.11 2.72 -0.24 0.00 -0.06 0.00 0.00 57.16 59.47 1x4f n GLU 23 Cb 0.44 -2.97 -0.09 0.00 -0.06 0.00 0.00 31.44 28.77 1x4f n GLU 23 CO 0.00 0.00 0.00 1.28 -0.06 0.00 0.00 177.13 178.35 1x4f n LEU 24 N 0.37 1.93 0.00 4.31 4.77 -1.25 -4.88 117.00 122.25 1x4f n LEU 24 Ca 0.00 0.37 0.00 0.00 -0.03 0.00 0.00 56.01 56.35 1x4f n LEU 24 Cb 0.00 -0.84 0.00 0.00 -2.33 0.00 0.00 43.42 40.25 1x4f n LEU 24 CO 0.00 0.33 0.00 0.61 -1.33 0.00 0.00 177.39 177.00 1x4f n GLY 25 N 1.34 2.00 2.79 -0.72 0.00 -1.26 -4.95 105.19 104.38 1x4f n GLY 25 Ca -0.42 -1.06 -0.30 0.00 0.00 0.00 0.00 46.02 44.25 1x4f n GLY 25 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1x4f s ARG 26 N -3.04 0.90 -0.21 1.61 0.52 -1.13 -4.85 118.95 112.75 1x4f s ARG 26 Ca 0.00 -1.00 -0.03 0.00 -0.52 0.00 0.00 55.73 54.18 1x4f s ARG 26 Cb 0.00 -2.20 0.07 0.00 0.52 0.00 0.00 34.95 33.34 1x4f s ARG 26 CO 0.00 -0.86 0.05 0.08 0.02 0.00 0.00 175.30 174.59 1x4f s VAL 27 N 1.57 0.47 -0.52 3.52 1.01 -1.26 -3.98 120.40 121.22 1x4f s VAL 27 Ca 0.05 -0.62 -0.28 0.00 0.00 0.00 0.00 61.98 61.13 1x4f s VAL 27 Cb -0.18 -1.06 0.02 0.00 0.00 0.00 0.00 36.38 35.17 1x4f s VAL 27 CO -0.18 -0.30 1.30 -0.63 0.00 0.00 0.00 175.10 175.30 1x4f s ILE 28 N 1.87 3.95 -0.30 2.22 -1.09 0.09 -0.60 121.20 127.34 1x4f s ILE 28 Ca 0.01 0.89 -0.26 0.00 -2.23 0.00 0.00 60.65 59.05 1x4f s ILE 28 Cb -0.17 -4.50 0.01 0.00 -1.58 0.00 0.00 42.46 36.22 1x4f s ILE 28 CO -0.12 -1.10 0.92 -2.28 -1.23 0.00 0.00 174.94 171.13 1x4f s HIS 29 N 5.35 3.21 -0.30 3.97 2.46 0.20 -1.41 115.29 128.77 1x4f s HIS 29 Ca 0.51 1.05 -0.04 0.00 0.47 0.00 0.00 55.06 57.04 1x4f s HIS 29 Cb -0.10 -3.38 0.03 0.00 -0.13 0.00 0.00 32.58 29.01 1x4f s HIS 29 CO 0.28 -0.61 0.04 -0.51 -2.47 0.00 0.00 174.74 171.46 1x4f s LEU 30 N 3.22 3.84 0.31 8.88 1.43 0.14 -1.02 118.68 135.47 1x4f s LEU 30 Ca 0.38 -1.00 0.09 0.00 -1.03 0.00 0.00 54.13 52.57 1x4f s LEU 30 Cb -0.14 -1.79 -0.04 0.00 0.03 0.00 0.00 46.19 44.25 1x4f s LEU 30 CO 0.12 -0.23 0.07 -0.44 0.23 0.00 0.00 176.35 176.11 1x4f s SER 31 N 1.37 4.62 -1.14 2.29 0.01 0.36 -1.78 113.70 119.44 1x4f s SER 31 Ca -0.01 -0.72 -0.01 0.00 1.31 0.00 0.00 55.95 56.53 1x4f s SER 31 Cb -0.18 -0.79 0.00 0.00 0.21 0.00 0.00 66.02 65.26 1x4f s SER 31 CO 0.00 -0.16 0.95 -3.20 0.41 0.00 0.00 173.24 171.24 1x4f n ASN 32 N -1.03 -2.34 -4.88 2.44 5.15 -1.24 -0.94 115.26 112.43 1x4f n ASN 32 Ca -0.05 -0.58 -0.30 0.00 -0.60 0.00 0.00 54.58 53.06 1x4f n ASN 32 Cb 0.60 -4.83 -0.02 0.00 -0.53 0.00 0.00 39.78 35.00 1x4f n ASN 32 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 1x4f s LEU 33 N -6.15 3.75 0.00 1.20 1.43 -1.07 -4.05 118.68 113.79 1x4f s LEU 33 Ca 0.04 1.11 0.00 0.00 -1.03 0.00 0.00 54.13 54.25 1x4f s LEU 33 Cb -0.02 -4.02 0.00 0.00 0.03 0.00 0.00 46.19 42.18 1x4f s LEU 33 CO 0.68 -0.47 0.00 -0.81 0.23 0.00 0.00 176.35 175.99 1x4f n PRO 34 N -1.60 0.23 -2.67 1.29 -0.04 -1.26 -4.90 135.00 126.06 1x4f n PRO 34 Ca 0.02 0.00 -0.04 0.00 -0.04 0.00 0.00 63.50 63.45 1x4f n PRO 34 Cb 0.54 0.00 0.10 0.00 -0.04 0.00 0.00 33.50 34.10 1x4f n PRO 34 CO 0.00 0.00 0.00 1.58 -0.04 0.00 0.00 175.50 177.04 1x4f n HIS 35 N -1.27 -0.59 -0.87 0.54 -0.00 -1.26 -4.98 115.22 106.79 1x4f n HIS 35 Ca 0.00 -0.83 0.08 0.00 0.46 0.00 0.00 57.72 57.43 1x4f n HIS 35 Cb 0.00 1.21 0.24 0.00 -0.12 0.00 0.00 29.99 31.32 1x4f n HIS 35 CO 0.00 0.00 0.00 0.43 0.46 0.00 0.00 176.34 177.23 1x4f n SER 36 N 0.34 3.68 -0.49 0.26 7.64 -1.26 -4.94 113.62 118.85 1x4f n SER 36 Ca -0.08 -2.87 0.00 0.00 1.01 0.00 0.00 58.87 56.94 1x4f n SER 36 Cb 0.74 -0.49 0.00 0.00 -1.01 0.00 0.00 64.21 63.45 1x4f n SER 36 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1x4f n GLY 37 N -0.39 0.88 3.93 0.23 0.00 -1.26 -5.07 105.19 103.51 1x4f n GLY 37 Ca 0.20 -0.55 -0.25 0.00 0.00 0.00 0.00 46.02 45.42 1x4f n GLY 37 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1x4f s TYR 38 N -2.82 3.28 0.04 1.61 1.13 -1.26 -5.08 117.35 114.25 1x4f s TYR 38 Ca 0.00 0.50 -0.17 0.00 -1.41 0.00 0.00 57.07 55.98 1x4f s TYR 38 Cb 0.00 -2.51 -0.06 0.00 -1.10 0.00 0.00 41.96 38.29 1x4f s TYR 38 CO 0.00 -0.56 0.50 -1.54 -2.51 0.00 0.00 175.55 171.43 1x4f s SER 39 N -4.24 6.95 0.33 -0.18 1.04 -1.26 -4.95 113.70 111.39 1x4f s SER 39 Ca 0.51 1.13 0.18 0.00 0.48 0.00 0.00 55.95 58.24 1x4f s SER 39 Cb -0.10 -2.31 1.18 0.00 0.10 0.00 0.00 66.02 64.89 1x4f s SER 39 CO 0.42 0.30 1.41 -0.90 0.98 0.00 0.00 173.24 175.45 1x4f n ASP 40 N 1.77 0.29 -0.21 7.02 5.75 -1.26 0.89 116.55 130.81 1x4f n ASP 40 Ca -0.12 1.49 0.01 0.00 -0.01 0.00 0.00 54.79 56.15 1x4f n ASP 40 Cb 0.51 -0.72 0.09 0.00 -1.03 0.00 0.00 41.12 39.98 1x4f n ASP 40 CO 0.00 0.00 0.00 0.28 -0.11 0.00 0.00 177.20 177.37 1x4f h SER 41 N 0.00 -0.38 -1.12 -1.12 0.02 -1.98 0.38 113.55 109.36 1x4f h SER 41 Ca 0.75 0.17 0.32 0.00 -0.84 0.00 0.00 61.79 62.19 1x4f h SER 41 Cb 1.96 0.31 -0.05 0.00 0.14 0.00 0.00 62.40 64.77 1x4f h SER 41 CO -0.70 -0.15 0.80 0.00 -1.14 0.00 0.00 176.83 175.64 1x4f h ALA 42 N 1.59 3.00 0.00 3.77 0.00 0.12 1.02 119.26 128.77 1x4f h ALA 42 Ca 0.32 -0.03 -0.12 0.00 0.00 0.00 0.00 54.91 55.08 1x4f h ALA 42 Cb 0.52 0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.37 1x4f h ALA 42 CO -0.57 -1.33 -0.75 0.28 0.00 0.00 0.00 179.25 176.88 1x4f h VAL 43 N 0.03 0.75 0.00 0.00 2.07 -0.34 -3.25 116.25 115.52 1x4f h VAL 43 Ca 0.54 -2.13 0.00 0.00 0.82 0.00 0.00 66.70 65.93 1x4f h VAL 43 Cb 2.10 2.30 0.00 0.00 -1.52 0.00 0.00 31.29 34.17 1x4f h VAL 43 CO -0.03 0.43 -0.58 0.18 0.02 0.00 0.00 177.57 177.59 1x4f n LEU 44 N -3.13 0.57 0.28 2.57 4.77 0.31 -3.96 117.00 118.42 1x4f n LEU 44 Ca -0.01 -0.06 0.14 0.00 -0.03 0.00 0.00 56.01 56.05 1x4f n LEU 44 Cb 0.76 -0.21 0.83 0.00 -2.33 0.00 0.00 43.42 42.46 1x4f n LEU 44 CO 0.41 0.13 1.05 0.50 -1.33 0.00 0.00 177.39 178.16 1x4f h LYS 45 N 0.00 0.00 -0.01 3.23 3.64 -0.38 0.35 116.57 123.41 1x4f h LYS 45 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1x4f h LYS 45 Cb 0.51 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.33 1x4f h LYS 45 CO 0.00 0.06 -0.03 1.47 -2.27 0.00 0.00 179.45 178.68 1x4f n LEU 46 N -3.74 0.58 0.00 5.20 -0.00 -1.25 -3.56 117.00 114.23 1x4f n LEU 46 Ca -0.02 -0.15 0.00 0.00 -0.00 0.00 0.00 56.01 55.84 1x4f n LEU 46 Cb 0.16 -0.05 0.00 0.00 -0.00 0.00 0.00 43.42 43.53 1x4f n LEU 46 CO 0.29 0.10 -0.03 0.00 -0.00 0.00 0.00 177.39 177.75 1x4f n ALA 47 N -0.63 1.33 0.33 1.47 0.00 0.10 -4.74 120.51 118.38 1x4f n ALA 47 Ca 0.20 0.00 -0.17 0.00 0.00 0.00 0.00 53.44 53.47 1x4f n ALA 47 Cb 0.23 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.59 1x4f n ALA 47 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 1x4f h GLU 48 N 0.00 -0.94 0.00 0.00 5.08 -0.46 -0.49 114.58 117.76 1x4f h GLU 48 Ca 0.00 0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.42 1x4f h GLU 48 Cb 0.00 0.21 0.00 0.00 0.50 0.00 0.00 28.75 29.46 1x4f h GLU 48 CO 0.00 -0.63 0.00 -0.35 -1.00 0.00 0.00 179.01 177.03 1x4f n PRO 49 N -5.11 0.49 -0.09 2.33 -0.04 -1.26 -2.56 135.00 128.75 1x4f n PRO 49 Ca -0.12 0.00 -0.16 0.00 -0.04 0.00 0.00 63.50 63.18 1x4f n PRO 49 Cb 0.42 -1.49 -0.13 0.00 -0.04 0.00 0.00 33.50 32.26 1x4f n PRO 49 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1x4f n TYR 50 N -0.99 0.29 -3.56 0.54 4.02 -0.74 -5.08 117.16 111.64 1x4f n TYR 50 Ca 0.11 0.07 0.03 0.00 -0.01 0.00 0.00 57.90 58.11 1x4f n TYR 50 Cb 0.05 -1.04 -0.00 0.00 -0.02 0.00 0.00 39.34 38.33 1x4f n TYR 50 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 176.86 176.05 1x4f s GLY 51 N -6.03 -0.47 -0.11 2.72 0.00 -0.27 -4.39 107.32 98.76 1x4f s GLY 51 Ca -0.25 1.09 -0.29 0.00 0.00 0.00 0.00 44.72 45.26 1x4f s GLY 51 CO 0.70 0.23 1.55 0.54 0.00 0.00 0.00 173.10 176.12 1x4f s LYS 52 N -2.01 4.11 -0.80 2.90 1.02 -1.26 -4.38 119.74 119.33 1x4f s LYS 52 Ca 0.15 1.96 -0.25 0.00 0.02 0.00 0.00 55.97 57.84 1x4f s LYS 52 Cb 0.07 -3.94 -0.02 0.00 -0.52 0.00 0.00 37.83 33.41 1x4f s LYS 52 CO -0.06 -0.91 1.81 0.42 -0.92 0.00 0.00 175.35 175.69 1x4f s ILE 53 N 4.16 3.49 0.11 2.17 1.01 -1.26 -0.74 121.20 130.13 1x4f s ILE 53 Ca 0.69 -0.15 0.22 0.00 0.00 0.00 0.00 60.65 61.41 1x4f s ILE 53 Cb -0.29 -4.17 0.21 0.00 0.01 0.00 0.00 42.46 38.22 1x4f s ILE 53 CO 0.26 -1.11 1.78 0.11 0.00 0.00 0.00 174.94 175.98 1x4f h LYS 54 N 12.33 0.00 -1.51 2.79 6.56 -1.74 -3.46 116.57 131.54 1x4f h LYS 54 Ca -0.05 0.00 0.16 0.00 -1.06 0.00 0.00 60.65 59.70 1x4f h LYS 54 Cb 1.06 0.00 -0.22 0.00 -0.57 0.00 0.00 32.23 32.50 1x4f h LYS 54 CO 1.24 0.26 0.69 1.21 -2.06 0.00 0.00 179.45 180.79 1x4f s ASN 55 N -6.25 -0.24 0.10 0.86 2.47 -1.21 -5.04 114.94 105.63 1x4f s ASN 55 Ca 0.01 0.19 -0.10 0.00 0.42 0.00 0.00 52.86 53.38 1x4f s ASN 55 Cb 0.10 0.22 0.01 0.00 -1.45 0.00 0.00 41.25 40.12 1x4f s ASN 55 CO 0.65 -0.28 0.23 -0.72 -3.72 0.00 0.00 177.10 173.27 1x4f s TYR 56 N -1.58 0.07 -0.03 0.43 1.13 -1.26 -0.63 117.35 115.48 1x4f s TYR 56 Ca 0.04 -0.48 -0.01 0.00 -1.41 0.00 0.00 57.07 55.21 1x4f s TYR 56 Cb -0.01 0.01 0.03 0.00 -1.10 0.00 0.00 41.96 40.89 1x4f s TYR 56 CO -0.03 -0.57 0.05 0.42 -2.51 0.00 0.00 175.55 172.90 1x4f s ILE 57 N -3.83 -0.09 -0.43 -3.49 -1.09 0.14 -4.95 121.20 107.47 1x4f s ILE 57 Ca 0.04 0.33 -0.02 0.00 -2.23 0.00 0.00 60.65 58.77 1x4f s ILE 57 Cb 0.04 -0.12 0.11 0.00 -1.58 0.00 0.00 42.46 40.91 1x4f s ILE 57 CO -0.11 0.14 0.21 -0.76 -1.23 0.00 0.00 174.94 173.19 1x4f s LEU 58 N 1.65 5.17 -0.21 2.97 2.01 -1.26 -0.78 118.68 128.23 1x4f s LEU 58 Ca -0.02 -2.16 -0.13 0.00 0.01 0.00 0.00 54.13 51.83 1x4f s LEU 58 Cb -0.12 -1.80 -0.04 0.00 0.01 0.00 0.00 46.19 44.23 1x4f s LEU 58 CO -0.03 -0.50 0.28 -0.04 1.01 0.00 0.00 176.35 177.07 1x4f s MET 59 N 0.95 4.15 0.15 1.70 -1.94 0.32 -4.96 119.30 119.67 1x4f s MET 59 Ca 0.10 -0.01 0.24 0.00 -1.71 0.00 0.00 55.69 54.30 1x4f s MET 59 Cb -0.22 -3.51 0.23 0.00 2.01 0.00 0.00 34.83 33.34 1x4f s MET 59 CO -0.04 0.06 1.24 0.07 -0.01 0.00 0.00 175.02 176.34 1x4f h ARG 60 N 7.27 0.00 0.00 2.03 0.11 -1.97 -2.20 114.38 119.62 1x4f h ARG 60 Ca -0.38 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.70 1x4f h ARG 60 Cb 1.16 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.24 1x4f h ARG 60 CO 0.70 0.00 0.00 -1.33 0.10 0.00 0.00 179.97 179.44 1x4f n MET 61 N -2.31 0.00 -1.72 0.08 2.81 -1.26 -3.31 117.12 111.42 1x4f n MET 61 Ca 0.02 0.43 -0.33 0.00 -1.81 0.00 0.00 57.70 56.01 1x4f n MET 61 Cb 0.47 -1.13 0.05 0.00 -0.71 0.00 0.00 33.22 31.91 1x4f n MET 61 CO 0.00 0.00 0.00 1.63 1.51 0.00 0.00 175.97 179.11 1x4f n LYS 62 N -1.26 2.99 -4.04 0.03 5.02 -1.26 -4.92 118.16 114.71 1x4f n LYS 62 Ca 0.00 -3.66 -0.35 0.00 -2.02 0.00 0.00 58.31 52.28 1x4f n LYS 62 Cb 0.00 -2.28 -0.02 0.00 -0.02 0.00 0.00 35.03 32.71 1x4f n LYS 62 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 1x4f n SER 63 N -0.75 -1.81 -4.34 4.39 7.64 -1.21 -4.72 113.62 112.82 1x4f n SER 63 Ca 0.54 -1.10 -0.19 0.00 1.01 0.00 0.00 58.87 59.13 1x4f n SER 63 Cb 0.64 -1.34 -0.10 0.00 -1.01 0.00 0.00 64.21 62.40 1x4f n SER 63 CO 0.00 0.00 0.00 -1.10 -3.01 0.00 0.00 175.04 170.93 1x4f s GLN 64 N -6.98 1.30 0.01 1.43 -0.21 -0.83 -2.61 119.66 111.78 1x4f s GLN 64 Ca 0.26 -1.53 -0.20 0.00 0.02 0.00 0.00 55.36 53.91 1x4f s GLN 64 Cb -0.15 -1.15 0.04 0.00 1.00 0.00 0.00 33.01 32.76 1x4f s GLN 64 CO 0.84 0.20 0.44 0.00 -2.12 0.00 0.00 175.29 174.65 1x4f s ALA 65 N -2.74 -1.10 -0.14 6.09 0.00 -0.73 -0.52 121.76 122.61 1x4f s ALA 65 Ca 0.20 0.51 -0.00 0.00 0.00 0.00 0.00 51.96 52.67 1x4f s ALA 65 Cb -0.02 0.22 0.03 0.00 0.00 0.00 0.00 23.12 23.35 1x4f s ALA 65 CO 0.07 -0.39 -0.08 -0.06 0.00 0.00 0.00 175.76 175.29 1x4f s PHE 66 N -1.94 1.66 -0.31 0.00 0.40 0.04 -0.69 117.98 117.14 1x4f s PHE 66 Ca -0.09 -0.93 -0.04 0.00 -0.60 0.00 0.00 56.93 55.27 1x4f s PHE 66 Cb -0.02 -1.32 0.04 0.00 0.51 0.00 0.00 43.02 42.23 1x4f s PHE 66 CO 0.02 -0.57 0.05 0.42 0.70 0.00 0.00 175.22 175.83 1x4f s ILE 67 N 1.65 3.44 -0.58 0.64 1.01 -0.50 0.23 121.20 127.09 1x4f s ILE 67 Ca 0.04 -1.14 -0.23 0.00 0.00 0.00 0.00 60.65 59.32 1x4f s ILE 67 Cb -0.13 -2.91 0.05 0.00 0.01 0.00 0.00 42.46 39.48 1x4f s ILE 67 CO -0.08 -0.07 0.89 -0.70 0.00 0.00 0.00 174.94 174.98 1x4f s GLU 68 N 1.36 3.23 1.04 2.79 2.12 0.19 -0.73 118.70 128.70 1x4f s GLU 68 Ca -0.02 -0.55 -0.12 0.00 0.36 0.00 0.00 54.97 54.64 1x4f s GLU 68 Cb -0.19 -4.12 0.21 0.00 0.26 0.00 0.00 34.13 30.30 1x4f s GLU 68 CO 0.01 -1.54 1.07 -1.64 -0.54 0.00 0.00 175.26 172.61 1x4f s MET 69 N 3.76 0.08 0.19 4.30 -1.94 -1.26 -2.52 119.30 121.92 1x4f s MET 69 Ca 0.25 0.81 -0.03 0.00 -1.71 0.00 0.00 55.69 55.01 1x4f s MET 69 Cb -0.15 -1.67 0.10 0.00 2.01 0.00 0.00 34.83 35.12 1x4f s MET 69 CO 0.15 -3.04 1.49 1.49 -0.01 0.00 0.00 175.02 175.10 1x4f h GLU 70 N -2.13 0.51 -4.65 2.03 4.81 -1.22 -3.42 114.58 110.50 1x4f h GLU 70 Ca -0.55 -0.34 -0.26 0.00 -0.13 0.00 0.00 59.36 58.07 1x4f h GLU 70 Cb 1.32 0.05 -0.15 0.00 0.63 0.00 0.00 28.75 30.60 1x4f h GLU 70 CO 0.52 0.96 -0.63 0.95 -0.73 0.00 0.00 179.01 180.09 1x4f s THR 71 N -3.89 0.21 0.20 0.32 -4.23 -1.26 -5.01 115.64 101.97 1x4f s THR 71 Ca -0.07 -1.98 -0.03 0.00 -1.18 0.00 0.00 61.69 58.43 1x4f s THR 71 Cb 0.11 -2.44 -0.04 0.00 1.34 0.00 0.00 72.50 71.47 1x4f s THR 71 CO 0.84 -0.11 1.52 -0.09 -0.54 0.00 0.00 174.62 176.24 1x4f h ARG 72 N 2.60 0.56 -0.50 3.99 2.43 -1.96 -2.95 114.38 118.55 1x4f h ARG 72 Ca -0.36 -0.34 0.10 0.00 -0.81 0.00 0.00 59.98 58.57 1x4f h ARG 72 Cb 1.24 0.03 -0.03 0.00 -0.42 0.00 0.00 29.97 30.79 1x4f h ARG 72 CO 0.57 0.94 0.34 0.93 -1.51 0.00 0.00 179.97 181.24 1x4f h GLU 73 N 0.44 0.24 0.09 0.20 5.08 -1.96 0.19 114.58 118.85 1x4f h GLU 73 Ca 0.02 -0.01 -0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1x4f h GLU 73 Cb 1.05 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 30.25 1x4f h GLU 73 CO 0.10 0.16 -0.04 -0.44 -1.00 0.00 0.00 179.01 177.78 1x4f h ASP 74 N 0.24 -0.10 -0.99 1.42 3.32 -1.73 -2.61 116.42 115.97 1x4f h ASP 74 Ca 0.23 0.00 0.21 0.00 0.02 0.00 0.00 57.03 57.50 1x4f h ASP 74 Cb 0.60 0.03 -0.10 0.00 0.22 0.00 0.00 39.33 40.08 1x4f h ASP 74 CO -0.05 0.17 0.62 0.00 -1.72 0.00 0.00 179.24 178.27 1x4f h ALA 75 N -1.45 1.89 -0.54 3.45 0.00 -1.41 0.10 119.26 121.30 1x4f h ALA 75 Ca -0.01 0.07 -0.10 0.00 0.00 0.00 0.00 54.91 54.87 1x4f h ALA 75 Cb 0.09 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 1x4f h ALA 75 CO 0.02 -0.25 -0.04 0.52 0.00 0.00 0.00 179.25 179.50 1x4f h MET 76 N 0.62 0.98 0.00 0.00 2.86 -0.74 -2.22 114.93 116.43 1x4f h MET 76 Ca 0.57 -0.33 -0.06 0.00 -2.06 0.00 0.00 59.70 57.82 1x4f h MET 76 Cb 1.08 -0.08 -0.01 0.00 0.06 0.00 0.00 31.60 32.66 1x4f h MET 76 CO -0.33 1.01 -0.27 0.00 1.06 0.00 0.00 176.91 178.38 1x4f h ALA 77 N 0.94 1.33 0.15 6.32 0.00 -0.44 -1.89 119.26 125.67 1x4f h ALA 77 Ca 0.15 -0.24 -0.01 0.00 0.00 0.00 0.00 54.91 54.81 1x4f h ALA 77 Cb 0.59 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.34 1x4f h ALA 77 CO 0.04 0.33 -0.07 1.98 0.00 0.00 0.00 179.25 181.52 1x4f h MET 78 N 0.00 -0.20 -0.36 0.00 4.05 -0.88 -1.80 114.93 115.74 1x4f h MET 78 Ca -0.00 0.01 0.02 0.00 -0.28 0.00 0.00 59.70 59.45 1x4f h MET 78 Cb 0.55 0.04 -0.02 0.00 -0.80 0.00 0.00 31.60 31.38 1x4f h MET 78 CO 0.03 0.24 0.24 -0.39 0.23 0.00 0.00 176.91 177.26 1x4f h VAL 79 N -0.87 1.06 0.02 -5.77 -1.51 -1.38 -2.68 116.25 105.11 1x4f h VAL 79 Ca -0.02 -0.15 -0.00 0.00 -1.23 0.00 0.00 66.70 65.30 1x4f h VAL 79 Cb 0.52 0.58 0.00 0.00 -2.13 0.00 0.00 31.29 30.26 1x4f h VAL 79 CO 0.03 0.08 -0.01 -0.78 -1.23 0.00 0.00 177.57 175.67 1x4f h ASP 80 N 0.44 -0.02 0.00 4.19 1.82 -1.39 -2.94 116.42 118.52 1x4f h ASP 80 Ca 0.14 -0.52 0.00 0.00 -0.39 0.00 0.00 57.03 56.26 1x4f h ASP 80 Cb 0.02 0.01 0.00 0.00 0.68 0.00 0.00 39.33 40.04 1x4f h ASP 80 CO -0.03 0.52 0.24 -0.74 -1.61 0.00 0.00 179.24 177.62 1x4f h HIS 81 N -0.57 0.00 0.00 0.28 2.76 -0.99 0.61 115.15 117.24 1x4f h HIS 81 Ca -0.00 0.00 -0.12 0.00 -2.20 0.00 0.00 60.37 58.05 1x4f h HIS 81 Cb 0.54 0.00 -0.02 0.00 1.55 0.00 0.00 27.41 29.48 1x4f h HIS 81 CO 0.11 0.00 -1.36 0.00 -1.30 0.00 0.00 177.93 175.39 1x4f h LEU 83 N 0.00 -0.21 -0.32 0.00 3.38 0.37 -3.35 115.31 115.19 1x4f h LEU 83 Ca -0.12 -0.31 -0.17 0.00 0.09 0.00 0.00 57.88 57.37 1x4f h LEU 83 Cb 1.42 0.05 -0.00 0.00 0.09 0.00 0.00 40.66 42.22 1x4f h LEU 83 CO 0.03 0.34 -0.46 0.11 0.09 0.00 0.00 178.44 178.56 1x4f h LYS 84 N -0.91 0.88 -6.47 1.13 6.56 -1.69 -3.44 116.57 112.63 1x4f h LYS 84 Ca -0.02 -0.52 -0.65 0.00 -1.06 0.00 0.00 60.65 58.40 1x4f h LYS 84 Cb 0.50 0.04 -0.26 0.00 -0.57 0.00 0.00 32.23 31.94 1x4f h LYS 84 CO 0.04 1.16 -0.86 0.21 -2.06 0.00 0.00 179.45 177.94 1x4f s LYS 85 N -4.25 1.59 -0.44 3.15 2.47 -1.12 -5.09 119.74 116.06 1x4f s LYS 85 Ca -0.11 -1.06 -0.29 0.00 -1.56 0.00 0.00 55.97 52.96 1x4f s LYS 85 Cb 0.10 -1.77 0.01 0.00 -1.46 0.00 0.00 37.83 34.72 1x4f s LYS 85 CO 0.88 0.45 1.38 0.00 0.16 0.00 0.00 175.35 178.22 1x4f s ALA 86 N -0.82 3.03 -0.47 3.13 0.00 -1.26 -3.58 121.76 121.79 1x4f s ALA 86 Ca 0.10 -0.25 -0.28 0.00 0.00 0.00 0.00 51.96 51.53 1x4f s ALA 86 Cb -0.09 -3.95 0.00 0.00 0.00 0.00 0.00 23.12 19.07 1x4f s ALA 86 CO 0.02 -2.44 1.56 -1.17 0.00 0.00 0.00 175.76 173.73 1x4f s LEU 87 N 5.39 3.47 -0.22 0.00 0.20 -1.26 -4.98 118.68 121.28 1x4f s LEU 87 Ca 0.59 0.69 -0.10 0.00 0.69 0.00 0.00 54.13 56.00 1x4f s LEU 87 Cb -0.12 -3.24 -0.05 0.00 -0.43 0.00 0.00 46.19 42.35 1x4f s LEU 87 CO 0.32 -1.72 0.14 0.26 -0.29 0.00 0.00 176.35 175.06 1x4f s TRP 88 N 6.47 3.36 -0.21 5.38 0.52 -1.26 -3.59 118.94 129.61 1x4f s TRP 88 Ca 0.63 0.27 -0.02 0.00 0.02 0.00 0.00 56.10 57.01 1x4f s TRP 88 Cb -0.15 -2.20 0.00 0.00 -1.15 0.00 0.00 33.47 29.97 1x4f s TRP 88 CO 0.29 0.19 -0.09 0.12 0.02 0.00 0.00 176.95 177.48 1x4f s PHE 89 N 0.66 2.92 -0.81 -1.98 5.36 0.68 -4.63 117.98 120.19 1x4f s PHE 89 Ca 0.08 -1.22 0.00 0.00 -0.96 0.00 0.00 56.93 54.83 1x4f s PHE 89 Cb -0.12 -2.05 0.00 0.00 -0.34 0.00 0.00 43.02 40.51 1x4f s PHE 89 CO 0.01 -0.65 0.00 0.00 -1.46 0.00 0.00 175.22 173.12 1x4f n GLN 90 N 4.73 -1.31 -0.39 10.12 10.64 -1.26 0.57 117.38 140.47 1x4f n GLN 90 Ca -0.19 0.45 0.00 0.00 -1.83 0.00 0.00 57.00 55.44 1x4f n GLN 90 Cb 0.50 -4.64 0.00 0.00 -0.86 0.00 0.00 30.24 25.24 1x4f n GLN 90 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 1x4f n GLY 91 N -0.20 1.59 2.97 2.61 0.00 -1.26 -5.10 105.19 105.80 1x4f n GLY 91 Ca -0.08 -0.16 -0.20 0.00 0.00 0.00 0.00 46.02 45.58 1x4f n GLY 91 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1x4f s ARG 92 N -1.49 0.92 -0.32 1.61 1.81 0.19 -5.03 118.95 116.64 1x4f s ARG 92 Ca 0.00 -0.25 -0.06 0.00 -1.72 0.00 0.00 55.73 53.69 1x4f s ARG 92 Cb 0.00 -0.87 -0.21 0.00 -0.45 0.00 0.00 34.95 33.43 1x4f s ARG 92 CO 0.00 0.06 3.20 0.00 -0.68 0.00 0.00 175.30 177.89 1x4f n VAL 94 N 2.80 2.09 -3.59 0.00 3.14 -1.24 -4.95 118.33 116.59 1x4f n VAL 94 Ca 0.46 -0.50 -0.37 0.00 -2.96 0.00 0.00 64.34 60.97 1x4f n VAL 94 Cb 0.69 -1.68 -0.09 0.00 -1.06 0.00 0.00 33.84 31.71 1x4f n VAL 94 CO 0.00 0.00 0.00 -0.75 -6.46 0.00 0.00 176.83 169.62 1x4f s LYS 95 N -1.99 4.10 -0.25 1.45 2.47 -0.11 -4.66 119.74 120.75 1x4f s LYS 95 Ca 0.56 -0.14 0.01 0.00 -1.56 0.00 0.00 55.97 54.83 1x4f s LYS 95 Cb -0.53 -3.54 0.04 0.00 -1.46 0.00 0.00 37.83 32.34 1x4f s LYS 95 CO 0.62 0.04 -0.10 0.54 0.16 0.00 0.00 175.35 176.61 1x4f s VAL 96 N 1.11 2.47 -0.00 4.02 0.11 -1.26 -0.49 120.40 126.36 1x4f s VAL 96 Ca 0.11 -1.30 0.01 0.00 -2.93 0.00 0.00 61.98 57.86 1x4f s VAL 96 Cb -0.14 -2.32 -0.00 0.00 -1.53 0.00 0.00 36.38 32.39 1x4f s VAL 96 CO 0.05 0.12 -0.04 -1.81 -3.33 0.00 0.00 175.10 170.10 1x4f s ASP 97 N 1.22 0.45 -0.01 3.54 1.01 -0.19 -4.52 116.67 118.17 1x4f s ASP 97 Ca -0.03 -0.07 -0.30 0.00 0.71 0.00 0.00 52.55 52.86 1x4f s ASP 97 Cb -0.18 -0.05 -0.06 0.00 1.01 0.00 0.00 42.92 43.64 1x4f s ASP 97 CO -0.06 0.05 1.63 -0.22 0.21 0.00 0.00 175.17 176.78 1x4f s LEU 98 N -0.08 4.34 0.01 1.23 2.96 -1.26 -0.63 118.68 125.25 1x4f s LEU 98 Ca 0.01 2.30 -0.26 0.00 -0.22 0.00 0.00 54.13 55.96 1x4f s LEU 98 Cb -0.02 -3.54 -0.04 0.00 0.50 0.00 0.00 46.19 43.09 1x4f s LEU 98 CO -0.00 -0.89 0.81 -0.55 -1.32 0.00 0.00 176.35 174.40 1x4f s SER 99 N 2.94 7.21 -0.81 3.68 0.15 0.23 -4.89 113.70 122.21 1x4f s SER 99 Ca 0.73 1.45 0.02 0.00 0.70 0.00 0.00 55.95 58.85 1x4f s SER 99 Cb -0.35 -2.49 0.27 0.00 -1.71 0.00 0.00 66.02 61.75 1x4f s SER 99 CO 0.30 -0.09 1.03 -0.62 1.20 0.00 0.00 173.24 175.06 1x4f n GLU 100 N 3.35 3.28 0.00 5.44 4.71 -1.26 -4.36 120.64 131.80 1x4f n GLU 100 Ca 0.00 -4.63 0.00 0.00 -0.01 0.00 0.00 57.16 52.52 1x4f n GLU 100 Cb 0.51 -2.36 0.00 0.00 -1.01 0.00 0.00 31.44 28.58 1x4f n GLU 100 CO 0.00 0.00 0.00 0.36 0.09 0.00 0.00 177.13 177.58 1x4f n LYS 101 N 1.04 0.00 0.07 3.49 2.85 -1.26 -4.81 118.16 119.53 1x4f n LYS 101 Ca 0.28 0.00 -0.05 0.00 -1.05 0.00 0.00 58.31 57.49 1x4f n LYS 101 Cb 0.38 0.00 -0.03 0.00 -0.65 0.00 0.00 35.03 34.73 1x4f n LYS 101 CO 0.00 0.00 0.00 1.88 -0.05 0.00 0.00 177.40 179.23 1x4f h TYR 102 N 0.00 -0.25 0.00 5.58 -1.99 -1.91 -3.47 116.97 114.93 1x4f h TYR 102 Ca 0.00 -0.01 0.00 0.00 2.00 0.00 0.00 58.73 60.72 1x4f h TYR 102 Cb 0.00 0.08 0.00 0.00 2.00 0.00 0.00 36.73 38.81 1x4f h TYR 102 CO 0.00 -0.11 0.00 1.63 -0.00 0.00 0.00 178.16 179.68 1x4f n LYS 103 N -4.95 0.00 -4.33 4.88 5.02 -1.26 -4.81 118.16 112.71 1x4f n LYS 103 Ca -0.04 0.00 -0.19 0.00 -2.02 0.00 0.00 58.31 56.06 1x4f n LYS 103 Cb 0.13 0.00 -0.09 0.00 -0.02 0.00 0.00 35.03 35.05 1x4f n LYS 103 CO 0.00 0.00 0.00 -1.59 -0.52 0.00 0.00 177.40 175.29 1x4f s LYS 104 N 0.00 1.66 0.46 1.97 0.00 -1.26 -2.82 119.74 119.75 1x4f s LYS 104 Ca 0.00 -1.96 0.01 0.00 0.00 0.00 0.00 55.97 54.02 1x4f s LYS 104 Cb 0.00 0.03 -0.00 0.00 0.00 0.00 0.00 37.83 37.86 1x4f s LYS 104 CO 0.00 -0.52 0.03 1.28 0.00 0.00 0.00 175.35 176.13 1x4f n LEU 105 N -0.61 0.00 -1.60 2.77 4.77 -1.26 -4.99 117.00 116.08 1x4f n LEU 105 Ca 0.03 -2.96 0.00 0.00 -0.03 0.00 0.00 56.01 53.04 1x4f n LEU 105 Cb 0.64 0.45 0.00 0.00 -2.33 0.00 0.00 43.42 42.19 1x4f n LEU 105 CO 0.34 -0.43 -0.42 0.52 -1.33 0.00 0.00 177.39 176.07 1x4f n VAL 106 N -1.12 -5.13 -1.56 4.08 0.31 -1.26 -4.99 118.33 108.66 1x4f n VAL 106 Ca -0.17 2.30 0.00 0.00 -0.01 0.00 0.00 64.34 66.46 1x4f n VAL 106 Cb 0.59 -3.13 0.00 0.00 -0.91 0.00 0.00 33.84 30.39 1x4f n VAL 106 CO 0.00 0.00 0.00 -1.20 -1.32 0.00 0.00 176.83 174.31 1x4f n SER 107 N 0.11 -8.32 -4.35 4.52 7.64 -1.26 -4.83 113.62 107.12 1x4f n SER 107 Ca 0.00 1.17 -0.42 0.00 1.01 0.00 0.00 58.87 60.63 1x4f n SER 107 Cb 0.00 -4.33 -0.00 0.00 -1.01 0.00 0.00 64.21 58.87 1x4f n SER 107 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1x4f n GLY 108 N -0.18 -2.29 0.25 0.23 0.00 -1.26 -4.88 105.19 97.06 1x4f n GLY 108 Ca 0.00 0.03 -0.11 0.00 0.00 0.00 0.00 46.02 45.94 1x4f n GLY 108 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1x4f h PRO 109 N 0.50 0.78 -5.95 1.61 0.13 -1.88 -3.43 132.00 123.76 1x4f h PRO 109 Ca -0.37 -0.41 -0.66 0.00 -0.87 0.00 0.00 66.00 63.69 1x4f h PRO 109 Cb 1.43 0.01 -0.02 0.00 0.13 0.00 0.00 31.00 32.55 1x4f h PRO 109 CO 0.49 1.04 1.43 -1.13 -0.23 0.00 0.00 178.00 179.60 1x4f n SER 110 N -4.04 2.05 0.04 1.44 3.41 -1.26 -4.64 113.62 110.62 1x4f n SER 110 Ca -0.02 0.38 0.00 0.00 -0.26 0.00 0.00 58.87 58.97 1x4f n SER 110 Cb 0.54 -1.25 0.00 0.00 -0.26 0.00 0.00 64.21 63.23 1x4f n SER 110 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1x4f n SER 111 N 10.02 0.03 0.00 4.04 7.64 -1.26 -5.19 113.62 128.89 1x4f n SER 111 Ca 0.42 0.14 0.00 0.00 1.01 0.00 0.00 58.87 60.44 1x4f n SER 111 Cb 0.23 0.09 0.00 0.00 -1.01 0.00 0.00 64.21 63.52 1x4f n SER 111 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64