#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x4f n SER 2 N 0.00 -7.61 -3.77 1.61 7.64 -1.26 -4.99 113.62 105.24 1x4f n SER 2 Ca 0.00 0.87 -0.13 0.00 1.01 0.00 0.00 58.87 60.62 1x4f n SER 2 Cb 0.00 -4.07 -0.11 0.00 -1.01 0.00 0.00 64.21 59.01 1x4f n SER 2 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1x4f s SER 3 N -6.93 -0.30 0.00 6.43 0.15 -1.26 -5.16 113.70 106.63 1x4f s SER 3 Ca 0.00 0.58 0.00 0.00 0.70 0.00 0.00 55.95 57.23 1x4f s SER 3 Cb 0.00 0.60 0.00 0.00 -1.71 0.00 0.00 66.02 64.91 1x4f s SER 3 CO 0.00 -0.11 0.00 0.61 1.20 0.00 0.00 173.24 174.94 1x4f n GLY 4 N 2.90 3.26 3.88 9.45 0.00 -1.26 -5.12 105.19 118.29 1x4f n GLY 4 Ca -0.13 -0.62 -0.30 0.00 0.00 0.00 0.00 46.02 44.97 1x4f n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1x4f s SER 5 N 1.98 5.54 -0.88 1.61 1.04 -1.26 -5.02 113.70 116.70 1x4f s SER 5 Ca 0.00 1.17 -0.07 0.00 0.48 0.00 0.00 55.95 57.54 1x4f s SER 5 Cb 0.00 -2.00 0.22 0.00 0.10 0.00 0.00 66.02 64.34 1x4f s SER 5 CO 0.00 -1.29 0.80 -0.55 0.98 0.00 0.00 173.24 173.18 1x4f s SER 6 N -4.33 6.36 0.29 7.02 0.15 -1.26 -4.99 113.70 116.95 1x4f s SER 6 Ca 0.58 -3.30 0.00 0.00 0.70 0.00 0.00 55.95 53.93 1x4f s SER 6 Cb -0.11 -2.04 0.00 0.00 -1.71 0.00 0.00 66.02 62.16 1x4f s SER 6 CO 0.52 -0.33 0.00 0.61 1.20 0.00 0.00 173.24 175.24 1x4f n GLY 7 N 3.00 -3.23 3.67 9.45 0.00 -1.26 -5.04 105.19 111.78 1x4f n GLY 7 Ca 0.18 -1.16 -0.27 0.00 0.00 0.00 0.00 46.02 44.76 1x4f n GLY 7 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1x4f s LYS 8 N -4.23 2.05 -0.02 1.61 -0.14 -1.26 -5.15 119.74 112.61 1x4f s LYS 8 Ca 0.00 -2.06 0.01 0.00 -1.36 0.00 0.00 55.97 52.56 1x4f s LYS 8 Cb 0.00 -1.73 -0.04 0.00 -1.68 0.00 0.00 37.83 34.38 1x4f s LYS 8 CO 0.00 -0.10 -0.00 -1.59 -0.76 0.00 0.00 175.35 172.90 1x4f s LYS 9 N -3.78 2.82 0.83 1.68 -2.85 -1.26 -5.11 119.74 112.06 1x4f s LYS 9 Ca 0.35 -0.57 -0.11 0.00 -1.00 0.00 0.00 55.97 54.63 1x4f s LYS 9 Cb 0.08 -2.69 0.09 0.00 -2.06 0.00 0.00 37.83 33.25 1x4f s LYS 9 CO 0.18 0.64 1.09 -1.25 0.10 0.00 0.00 175.35 176.11 1x4f s PRO 10 N -1.41 1.83 -0.29 1.78 0.04 -1.26 -5.08 135.00 130.61 1x4f s PRO 10 Ca 0.18 1.02 -0.25 0.00 0.04 0.00 0.00 61.00 62.00 1x4f s PRO 10 Cb -0.11 -1.86 0.15 0.00 0.04 0.00 0.00 34.50 32.72 1x4f s PRO 10 CO 0.09 -1.90 1.20 -2.00 0.04 0.00 0.00 177.00 174.42 1x4f s GLU 11 N -4.92 0.31 0.00 4.56 2.12 -1.26 -5.19 118.70 114.33 1x4f s GLU 11 Ca 0.62 0.38 0.00 0.00 0.36 0.00 0.00 54.97 56.33 1x4f s GLU 11 Cb -0.17 0.15 0.00 0.00 0.26 0.00 0.00 34.13 34.36 1x4f s GLU 11 CO 0.56 -0.04 0.00 0.41 -0.54 0.00 0.00 175.26 175.66 1x4f n GLY 12 N 2.01 1.33 2.95 -1.50 0.00 -1.26 -5.09 105.19 103.64 1x4f n GLY 12 Ca -0.12 -0.81 -0.30 0.00 0.00 0.00 0.00 46.02 44.79 1x4f n GLY 12 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1x4f s LYS 13 N -2.00 2.62 -0.93 1.61 1.02 -1.26 -5.04 119.74 115.76 1x4f s LYS 13 Ca 0.00 -3.27 -0.24 0.00 0.02 0.00 0.00 55.97 52.47 1x4f s LYS 13 Cb 0.00 -3.54 -0.05 0.00 -0.52 0.00 0.00 37.83 33.71 1x4f s LYS 13 CO 0.00 -1.27 1.95 -1.25 -0.92 0.00 0.00 175.35 173.86 1x4f s PRO 14 N -1.33 2.55 -0.39 -1.68 0.04 -1.26 -4.78 135.00 128.14 1x4f s PRO 14 Ca 0.25 -0.38 0.06 0.00 0.04 0.00 0.00 61.00 60.97 1x4f s PRO 14 Cb -0.07 -5.08 0.18 0.00 0.04 0.00 0.00 34.50 29.57 1x4f s PRO 14 CO -0.14 -3.44 0.66 0.34 0.04 0.00 0.00 177.00 174.46 1x4f s ASP 15 N 7.89 -1.44 -0.08 6.66 -1.08 -1.26 -5.15 116.67 122.21 1x4f s ASP 15 Ca 0.70 -0.63 -0.30 0.00 -0.52 0.00 0.00 52.55 51.80 1x4f s ASP 15 Cb -0.06 1.84 0.10 0.00 -1.46 0.00 0.00 42.92 43.34 1x4f s ASP 15 CO 0.01 -0.17 0.82 0.00 0.52 0.00 0.00 175.17 176.35 1x4f s GLN 16 N 1.97 0.86 -0.32 4.34 1.03 -1.26 -5.13 119.66 121.15 1x4f s GLN 16 Ca 0.15 0.11 -0.11 0.00 0.04 0.00 0.00 55.36 55.56 1x4f s GLN 16 Cb -0.04 0.40 0.19 0.00 0.03 0.00 0.00 33.01 33.60 1x4f s GLN 16 CO -0.10 -0.29 1.10 0.21 -2.54 0.00 0.00 175.29 173.67 1x4f s LYS 17 N -1.52 0.11 -0.29 9.60 2.47 -1.26 -5.16 119.74 123.69 1x4f s LYS 17 Ca -0.05 -0.05 -0.17 0.00 -1.56 0.00 0.00 55.97 54.14 1x4f s LYS 17 Cb -0.00 0.01 0.16 0.00 -1.46 0.00 0.00 37.83 36.54 1x4f s LYS 17 CO 0.03 -0.16 1.07 0.12 0.16 0.00 0.00 175.35 176.58 1x4f s PHE 18 N 1.83 -0.42 0.15 4.03 2.19 -1.26 -5.06 117.98 119.44 1x4f s PHE 18 Ca 0.16 0.85 -0.31 0.00 0.33 0.00 0.00 56.93 57.96 1x4f s PHE 18 Cb 0.05 0.28 -0.08 0.00 -1.31 0.00 0.00 43.02 41.96 1x4f s PHE 18 CO -0.15 -0.21 1.54 0.22 1.83 0.00 0.00 175.22 178.46 1x4f h ASP 19 N 5.57 -2.08 -5.57 6.13 1.82 -2.04 -3.47 116.42 116.79 1x4f h ASP 19 Ca -0.28 0.31 0.00 0.00 -0.39 0.00 0.00 57.03 56.67 1x4f h ASP 19 Cb 1.18 0.91 -0.03 0.00 0.68 0.00 0.00 39.33 42.07 1x4f h ASP 19 CO 0.20 -0.28 -0.99 1.67 -1.61 0.00 0.00 179.24 178.23 1x4f n GLN 20 N -5.29 -2.65 -1.55 0.28 -0.06 -1.26 -4.93 117.38 101.92 1x4f n GLN 20 Ca 0.01 2.23 -0.19 0.00 -2.00 0.00 0.00 57.00 57.05 1x4f n GLN 20 Cb 0.28 -3.55 0.08 0.00 -4.06 0.00 0.00 30.24 22.99 1x4f n GLN 20 CO 0.00 0.00 0.00 0.36 -0.20 0.00 0.00 177.06 177.22 1x4f n LYS 21 N 1.37 2.95 0.05 3.69 2.85 -1.26 -4.73 118.16 123.08 1x4f n LYS 21 Ca -0.10 -3.78 0.00 0.00 -1.05 0.00 0.00 58.31 53.38 1x4f n LYS 21 Cb 0.28 -2.13 0.00 0.00 -0.65 0.00 0.00 35.03 32.53 1x4f n LYS 21 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 177.40 178.39 1x4f n GLN 22 N -0.86 0.00 -4.22 -1.58 6.02 -1.26 -5.12 117.38 110.37 1x4f n GLN 22 Ca 0.42 0.00 -0.15 0.00 -0.01 0.00 0.00 57.00 57.26 1x4f n GLN 22 Cb 0.90 -0.28 -0.11 0.00 1.02 0.00 0.00 30.24 31.78 1x4f n GLN 22 CO 0.00 0.00 0.00 -1.21 -1.01 0.00 0.00 177.06 174.84 1x4f s GLU 23 N -1.69 0.96 0.00 -1.09 2.02 -1.26 -5.06 118.70 112.58 1x4f s GLU 23 Ca 0.00 -1.28 0.00 0.00 0.02 0.00 0.00 54.97 53.71 1x4f s GLU 23 Cb 0.00 -0.65 0.00 0.00 0.10 0.00 0.00 34.13 33.58 1x4f s GLU 23 CO 0.00 0.10 0.00 1.28 0.02 0.00 0.00 175.26 176.66 1x4f n LEU 24 N 0.29 0.29 -0.03 1.80 4.77 -1.26 -4.99 117.00 117.86 1x4f n LEU 24 Ca -0.14 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.84 1x4f n LEU 24 Cb 0.59 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.68 1x4f n LEU 24 CO 0.29 -0.18 0.00 0.61 -1.33 0.00 0.00 177.39 176.78 1x4f n GLY 25 N 2.18 -0.14 3.30 -0.72 0.00 -1.26 -4.86 105.19 103.69 1x4f n GLY 25 Ca 0.00 -0.76 -0.43 0.00 0.00 0.00 0.00 46.02 44.83 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 -0.01 2.77 -0.06 1.61 0.52 -1.22 -4.84 118.95 117.73 1x4f s ARG 26 Ca 0.00 -1.52 -0.00 0.00 -0.52 0.00 0.00 55.73 53.68 1x4f s ARG 26 Cb 0.00 -4.01 0.03 0.00 0.52 0.00 0.00 34.95 31.49 1x4f s ARG 26 CO 0.00 -1.08 -0.01 0.08 0.02 0.00 0.00 175.30 174.31 1x4f s VAL 27 N 1.51 0.38 -0.44 3.52 1.01 -1.26 -4.11 120.40 121.00 1x4f s VAL 27 Ca 0.04 0.06 -0.23 0.00 0.00 0.00 0.00 61.98 61.84 1x4f s VAL 27 Cb -0.25 -0.49 0.02 0.00 0.00 0.00 0.00 36.38 35.66 1x4f s VAL 27 CO 0.03 0.23 0.79 -0.63 0.00 0.00 0.00 175.10 175.52 1x4f s ILE 28 N 1.52 4.66 -0.33 2.22 -1.09 0.77 -0.33 121.20 128.61 1x4f s ILE 28 Ca -0.02 0.50 -0.24 0.00 -2.23 0.00 0.00 60.65 58.66 1x4f s ILE 28 Cb -0.13 -4.31 0.01 0.00 -1.58 0.00 0.00 42.46 36.45 1x4f s ILE 28 CO -0.03 -0.68 0.83 -2.28 -1.23 0.00 0.00 174.94 171.55 1x4f s HIS 29 N 3.27 3.16 -0.32 3.97 2.46 0.14 -1.30 115.29 126.66 1x4f s HIS 29 Ca 0.30 0.77 -0.01 0.00 0.47 0.00 0.00 55.06 56.59 1x4f s HIS 29 Cb -0.12 -3.37 0.06 0.00 -0.13 0.00 0.00 32.58 29.02 1x4f s HIS 29 CO 0.22 -0.67 0.04 -0.51 -2.47 0.00 0.00 174.74 171.35 1x4f s LEU 30 N 3.14 4.19 0.45 8.88 1.43 -0.28 -0.47 118.68 136.02 1x4f s LEU 30 Ca 0.34 -1.48 0.07 0.00 -1.03 0.00 0.00 54.13 52.03 1x4f s LEU 30 Cb -0.13 -1.72 -0.01 0.00 0.03 0.00 0.00 46.19 44.36 1x4f s LEU 30 CO 0.15 -0.32 0.37 -0.94 0.23 0.00 0.00 176.35 175.84 1x4f s SER 31 N 1.33 4.86 -1.26 2.29 1.04 0.45 -2.13 113.70 120.27 1x4f s SER 31 Ca -0.02 -0.91 -0.01 0.00 0.48 0.00 0.00 55.95 55.49 1x4f s SER 31 Cb -0.20 -0.31 -0.00 0.00 0.10 0.00 0.00 66.02 65.60 1x4f s SER 31 CO -0.02 -0.76 0.78 -3.20 0.98 0.00 0.00 173.24 171.02 1x4f n ASN 32 N -1.57 -1.70 -4.88 7.02 5.15 -1.26 -1.33 115.26 116.70 1x4f n ASN 32 Ca 0.02 -0.77 -0.30 0.00 -0.60 0.00 0.00 54.58 52.92 1x4f n ASN 32 Cb 0.63 -4.35 -0.04 0.00 -0.53 0.00 0.00 39.78 35.49 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 -6.54 3.93 0.00 1.20 1.43 -1.08 -4.00 118.68 113.62 1x4f s LEU 33 Ca 0.03 1.07 0.00 0.00 -1.03 0.00 0.00 54.13 54.21 1x4f s LEU 33 Cb -0.01 -3.92 0.00 0.00 0.03 0.00 0.00 46.19 42.29 1x4f s LEU 33 CO 0.79 -0.31 0.00 -0.81 0.23 0.00 0.00 176.35 176.25 1x4f n PRO 34 N -0.99 0.13 -2.68 1.29 -0.04 -1.26 -4.87 135.00 126.58 1x4f n PRO 34 Ca 0.02 0.00 -0.05 0.00 -0.04 0.00 0.00 63.50 63.43 1x4f n PRO 34 Cb 0.54 0.00 0.07 0.00 -0.04 0.00 0.00 33.50 34.07 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 -1.37 -1.06 -1.11 0.54 -0.00 -1.26 -4.96 115.22 106.00 1x4f n HIS 35 Ca 0.00 -1.10 -0.04 0.00 0.46 0.00 0.00 57.72 57.04 1x4f n HIS 35 Cb 0.00 1.31 0.28 0.00 -0.12 0.00 0.00 29.99 31.45 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 0.01 4.28 -1.42 0.26 7.64 -1.26 -4.90 113.62 118.22 1x4f n SER 36 Ca -0.11 -3.29 -0.06 0.00 1.01 0.00 0.00 58.87 56.42 1x4f n SER 36 Cb 0.73 -0.70 0.02 0.00 -1.01 0.00 0.00 64.21 63.25 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 -0.41 0.48 3.96 0.23 0.00 -1.26 -5.05 105.19 103.14 1x4f n GLY 37 Ca 0.37 -0.40 -0.24 0.00 0.00 0.00 0.00 46.02 45.76 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 -3.09 2.68 -0.03 1.61 1.13 -1.26 -5.09 117.35 113.29 1x4f s TYR 38 Ca 0.14 0.16 -0.03 0.00 -1.41 0.00 0.00 57.07 55.93 1x4f s TYR 38 Cb -0.06 -3.02 -0.04 0.00 -1.10 0.00 0.00 41.96 37.74 1x4f s TYR 38 CO 0.20 -1.27 0.14 0.45 -2.51 0.00 0.00 175.55 172.56 1x4f s SER 39 N -4.52 6.15 0.29 -0.18 0.15 -1.26 -4.98 113.70 109.35 1x4f s SER 39 Ca 0.60 0.31 0.06 0.00 0.70 0.00 0.00 55.95 57.62 1x4f s SER 39 Cb -0.10 -1.90 0.82 0.00 -1.71 0.00 0.00 66.02 63.13 1x4f s SER 39 CO 0.42 0.30 1.41 -0.90 1.20 0.00 0.00 173.24 175.67 1x4f n ASP 40 N 1.26 0.00 -0.30 5.45 5.75 -1.26 0.63 116.55 128.09 1x4f n ASP 40 Ca -0.14 1.52 0.05 0.00 -0.01 0.00 0.00 54.79 56.21 1x4f n ASP 40 Cb 0.53 -0.60 0.14 0.00 -1.03 0.00 0.00 41.12 40.16 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 -0.67 -1.00 -1.12 0.02 -1.97 0.86 113.55 109.68 1x4f h SER 41 Ca 0.60 0.25 0.25 0.00 -0.84 0.00 0.00 61.79 62.04 1x4f h SER 41 Cb 1.35 0.49 -0.08 0.00 0.14 0.00 0.00 62.40 64.30 1x4f h SER 41 CO -0.81 -0.27 0.66 0.00 -1.14 0.00 0.00 176.83 175.27 1x4f h ALA 42 N 1.84 2.28 0.00 3.77 0.00 -0.20 0.75 119.26 127.69 1x4f h ALA 42 Ca 0.43 0.04 -0.05 0.00 0.00 0.00 0.00 54.91 55.32 1x4f h ALA 42 Cb 0.71 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.50 1x4f h ALA 42 CO -0.84 -0.64 -0.27 0.28 0.00 0.00 0.00 179.25 177.78 1x4f h VAL 43 N 0.37 0.44 0.00 0.00 2.07 0.65 -3.17 116.25 116.61 1x4f h VAL 43 Ca 0.55 -1.62 0.00 0.00 0.82 0.00 0.00 66.70 66.44 1x4f h VAL 43 Cb 1.43 2.21 0.00 0.00 -1.52 0.00 0.00 31.29 33.41 1x4f h VAL 43 CO -0.23 0.25 -0.59 0.18 0.02 0.00 0.00 177.57 177.20 1x4f n LEU 44 N -3.16 0.59 0.27 2.57 4.77 0.22 -3.92 117.00 118.35 1x4f n LEU 44 Ca 0.03 -0.09 0.18 0.00 -0.03 0.00 0.00 56.01 56.10 1x4f n LEU 44 Cb 0.64 -0.20 0.84 0.00 -2.33 0.00 0.00 43.42 42.36 1x4f n LEU 44 CO 0.37 0.14 1.03 0.11 -1.33 0.00 0.00 177.39 177.72 1x4f h LYS 45 N 0.00 0.00 -0.03 3.23 1.57 -0.32 -0.09 116.57 120.93 1x4f h LYS 45 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1x4f h LYS 45 Cb 0.50 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.81 1x4f h LYS 45 CO 0.00 0.00 0.00 1.47 -0.57 0.00 0.00 179.45 180.35 1x4f n LEU 46 N -2.92 1.60 0.00 2.94 -0.00 -1.25 -3.83 117.00 113.53 1x4f n LEU 46 Ca -0.01 -0.55 0.00 0.00 -0.00 0.00 0.00 56.01 55.46 1x4f n LEU 46 Cb 0.20 -0.01 0.00 0.00 -0.00 0.00 0.00 43.42 43.61 1x4f n LEU 46 CO 0.23 0.27 0.06 0.00 -0.00 0.00 0.00 177.39 177.95 1x4f n ALA 47 N 0.25 1.42 0.41 1.47 0.00 -0.36 -4.74 120.51 118.96 1x4f n ALA 47 Ca 0.19 -0.12 -0.16 0.00 0.00 0.00 0.00 53.44 53.34 1x4f n ALA 47 Cb 0.37 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.74 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 -1.02 0.00 0.00 4.39 -1.18 -1.63 114.58 115.15 1x4f h GLU 48 Ca 0.00 0.07 0.00 0.00 0.34 0.00 0.00 59.36 59.77 1x4f h GLU 48 Cb 0.07 0.23 0.00 0.00 -0.10 0.00 0.00 28.75 28.95 1x4f h GLU 48 CO 0.00 -0.68 0.00 -0.35 -1.16 0.00 0.00 179.01 176.82 1x4f n PRO 49 N -5.17 0.49 -0.10 2.33 -0.04 -1.26 -2.56 135.00 128.69 1x4f n PRO 49 Ca -0.13 0.00 -0.16 0.00 -0.04 0.00 0.00 63.50 63.17 1x4f n PRO 49 Cb 0.42 -1.46 -0.13 0.00 -0.04 0.00 0.00 33.50 32.28 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 -0.96 0.21 0.00 0.54 4.02 -1.06 -5.08 117.16 114.82 1x4f n TYR 50 Ca 0.11 0.05 0.00 0.00 -0.01 0.00 0.00 57.90 58.05 1x4f n TYR 50 Cb 0.05 -1.03 0.00 0.00 -0.02 0.00 0.00 39.34 38.34 1x4f n TYR 50 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1x4f n GLY 51 N 2.08 0.75 3.63 2.72 0.00 -0.64 -4.31 105.19 109.43 1x4f n GLY 51 Ca -0.40 -0.83 -0.43 0.00 0.00 0.00 0.00 46.02 44.36 1x4f n GLY 51 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1x4f s LYS 52 N -2.00 3.84 -0.84 1.61 -0.14 -1.26 -4.38 119.74 116.57 1x4f s LYS 52 Ca 0.00 1.82 -0.25 0.00 -1.36 0.00 0.00 55.97 56.18 1x4f s LYS 52 Cb 0.00 -4.05 -0.02 0.00 -1.68 0.00 0.00 37.83 32.08 1x4f s LYS 52 CO 0.00 -1.25 1.82 0.42 -0.76 0.00 0.00 175.35 175.59 1x4f s ILE 53 N 5.14 3.50 0.24 2.17 1.01 -1.26 0.25 121.20 132.25 1x4f s ILE 53 Ca 0.74 -0.24 0.31 0.00 0.00 0.00 0.00 60.65 61.46 1x4f s ILE 53 Cb -0.28 -4.18 0.33 0.00 0.01 0.00 0.00 42.46 38.35 1x4f s ILE 53 CO 0.30 -1.12 2.00 0.11 0.00 0.00 0.00 174.94 176.23 1x4f h LYS 54 N 11.91 0.00 -1.70 2.79 6.56 -1.67 -3.46 116.57 131.01 1x4f h LYS 54 Ca 0.00 0.00 0.16 0.00 -1.06 0.00 0.00 60.65 59.75 1x4f h LYS 54 Cb 1.05 0.00 -0.20 0.00 -0.57 0.00 0.00 32.23 32.51 1x4f h LYS 54 CO 1.24 0.09 0.66 1.21 -2.06 0.00 0.00 179.45 180.59 1x4f s ASN 55 N -5.87 -0.26 0.12 0.86 2.47 -1.19 -5.04 114.94 106.04 1x4f s ASN 55 Ca -0.01 0.12 -0.14 0.00 0.42 0.00 0.00 52.86 53.25 1x4f s ASN 55 Cb 0.11 0.25 0.02 0.00 -1.45 0.00 0.00 41.25 40.18 1x4f s ASN 55 CO 0.56 -0.36 0.35 -0.72 -3.72 0.00 0.00 177.10 173.21 1x4f s TYR 56 N -2.13 -0.09 -0.09 0.43 1.13 -1.26 -0.61 117.35 114.74 1x4f s TYR 56 Ca 0.05 -0.26 -0.03 0.00 -1.41 0.00 0.00 57.07 55.42 1x4f s TYR 56 Cb -0.01 0.17 0.04 0.00 -1.10 0.00 0.00 41.96 41.07 1x4f s TYR 56 CO -0.05 -0.67 0.09 0.42 -2.51 0.00 0.00 175.55 172.83 1x4f s ILE 57 N -3.83 -0.13 -0.55 -3.49 -1.09 0.14 -4.95 121.20 107.29 1x4f s ILE 57 Ca 0.04 0.25 -0.10 0.00 -2.23 0.00 0.00 60.65 58.61 1x4f s ILE 57 Cb 0.03 -0.30 0.14 0.00 -1.58 0.00 0.00 42.46 40.75 1x4f s ILE 57 CO -0.11 0.04 0.44 -0.22 -1.23 0.00 0.00 174.94 173.86 1x4f s LEU 58 N 2.19 5.88 -0.13 2.97 1.98 -1.26 -0.71 118.68 129.59 1x4f s LEU 58 Ca 0.04 -2.10 -0.18 0.00 -2.89 0.00 0.00 54.13 49.00 1x4f s LEU 58 Cb -0.13 -2.06 -0.04 0.00 0.66 0.00 0.00 46.19 44.62 1x4f s LEU 58 CO -0.05 -0.67 0.47 -0.04 -1.89 0.00 0.00 176.35 174.16 1x4f s MET 59 N 1.08 4.32 0.07 1.98 -1.94 0.67 -4.95 119.30 120.52 1x4f s MET 59 Ca 0.08 0.42 0.23 0.00 -1.71 0.00 0.00 55.69 54.71 1x4f s MET 59 Cb -0.24 -3.45 0.12 0.00 2.01 0.00 0.00 34.83 33.27 1x4f s MET 59 CO -0.02 0.12 1.10 2.89 -0.01 0.00 0.00 175.02 179.10 1x4f n ARG 60 N 3.81 0.29 0.00 2.03 0.00 -1.26 -2.25 116.66 119.28 1x4f n ARG 60 Ca -0.07 0.02 0.00 0.00 -0.00 0.00 0.00 57.85 57.80 1x4f n ARG 60 Cb 0.51 -1.62 0.00 0.00 -0.00 0.00 0.00 32.46 31.36 1x4f n ARG 60 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.63 176.30 1x4f n MET 61 N -2.00 0.00 -1.38 2.89 2.81 -1.26 -3.46 117.12 114.71 1x4f n MET 61 Ca 0.02 0.24 -0.28 0.00 -1.81 0.00 0.00 57.70 55.87 1x4f n MET 61 Cb 0.44 -0.91 0.10 0.00 -0.71 0.00 0.00 33.22 32.14 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 -0.65 2.69 -4.02 0.03 5.02 -1.26 -4.90 118.16 115.07 1x4f n LYS 62 Ca 0.00 -3.38 -0.29 0.00 -2.02 0.00 0.00 58.31 52.61 1x4f n LYS 62 Cb 0.00 -2.22 -0.01 0.00 -0.02 0.00 0.00 35.03 32.77 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 -0.94 -1.90 -4.69 4.39 7.64 -1.23 -4.69 113.62 112.20 1x4f n SER 63 Ca 0.56 -0.97 -0.23 0.00 1.01 0.00 0.00 58.87 59.25 1x4f n SER 63 Cb 0.92 -3.12 -0.07 0.00 -1.01 0.00 0.00 64.21 60.94 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 -6.66 2.38 -0.07 1.43 -0.21 -0.95 -2.63 119.66 112.95 1x4f s GLN 64 Ca 0.33 -1.43 -0.31 0.00 0.02 0.00 0.00 55.36 53.97 1x4f s GLN 64 Cb -0.17 -2.20 0.08 0.00 1.00 0.00 0.00 33.01 31.71 1x4f s GLN 64 CO 0.89 0.29 0.73 0.00 -2.12 0.00 0.00 175.29 175.07 1x4f s ALA 65 N -2.34 -1.79 -0.13 6.09 0.00 -0.91 -0.24 121.76 122.44 1x4f s ALA 65 Ca 0.34 1.38 -0.00 0.00 0.00 0.00 0.00 51.96 53.67 1x4f s ALA 65 Cb -0.05 -0.14 0.03 0.00 0.00 0.00 0.00 23.12 22.96 1x4f s ALA 65 CO 0.21 -0.36 -0.09 -0.06 0.00 0.00 0.00 175.76 175.46 1x4f s PHE 66 N -1.13 1.70 -0.27 0.00 0.08 0.11 -1.12 117.98 117.34 1x4f s PHE 66 Ca -0.09 -0.91 -0.04 0.00 0.12 0.00 0.00 56.93 56.00 1x4f s PHE 66 Cb -0.00 -1.34 0.01 0.00 -0.57 0.00 0.00 43.02 41.12 1x4f s PHE 66 CO 0.09 -0.57 0.01 0.42 -0.10 0.00 0.00 175.22 175.07 1x4f s ILE 67 N 1.64 3.47 -0.51 0.64 1.01 -0.42 0.23 121.20 127.26 1x4f s ILE 67 Ca 0.04 -0.79 -0.20 0.00 0.00 0.00 0.00 60.65 59.71 1x4f s ILE 67 Cb -0.13 -2.75 0.05 0.00 0.01 0.00 0.00 42.46 39.64 1x4f s ILE 67 CO -0.09 0.17 0.69 -0.70 0.00 0.00 0.00 174.94 175.01 1x4f s GLU 68 N 1.43 3.18 1.02 2.79 2.12 0.22 -0.16 118.70 129.30 1x4f s GLU 68 Ca 0.02 -0.72 -0.12 0.00 0.36 0.00 0.00 54.97 54.51 1x4f s GLU 68 Cb -0.17 -4.07 0.20 0.00 0.26 0.00 0.00 34.13 30.35 1x4f s GLU 68 CO -0.01 -1.25 1.08 -1.64 -0.54 0.00 0.00 175.26 172.90 1x4f s MET 69 N 2.91 0.25 0.26 4.30 -1.94 -1.26 -2.16 119.30 121.66 1x4f s MET 69 Ca 0.19 0.71 0.01 0.00 -1.71 0.00 0.00 55.69 54.89 1x4f s MET 69 Cb -0.17 -1.70 0.35 0.00 2.01 0.00 0.00 34.83 35.32 1x4f s MET 69 CO 0.14 -2.90 1.68 1.49 -0.01 0.00 0.00 175.02 175.42 1x4f h GLU 70 N -2.02 0.50 0.00 2.03 4.81 -0.48 -3.41 114.58 116.01 1x4f h GLU 70 Ca -0.55 -0.21 -0.02 0.00 -0.13 0.00 0.00 59.36 58.46 1x4f h GLU 70 Cb 1.32 -0.02 -0.00 0.00 0.63 0.00 0.00 28.75 30.68 1x4f h GLU 70 CO 0.54 0.75 -0.01 0.25 -0.73 0.00 0.00 179.01 179.80 1x4f n THR 71 N -4.09 0.00 0.01 0.32 -2.24 -1.26 -5.01 114.28 102.01 1x4f n THR 71 Ca -0.01 -0.08 -0.22 0.00 -2.27 0.00 0.00 64.05 61.48 1x4f n THR 71 Cb 0.44 0.04 -0.14 0.00 -2.10 0.00 0.00 70.33 68.57 1x4f n THR 71 CO 0.00 0.00 0.00 -0.09 -0.57 0.00 0.00 175.07 174.41 1x4f h ARG 72 N 0.00 0.25 -1.13 -0.78 2.43 -1.99 -3.26 114.38 109.90 1x4f h ARG 72 Ca -0.01 -0.43 0.32 0.00 -0.81 0.00 0.00 59.98 59.05 1x4f h ARG 72 Cb 0.04 0.16 -0.08 0.00 -0.42 0.00 0.00 29.97 29.66 1x4f h ARG 72 CO 0.01 1.21 0.76 1.05 -1.51 0.00 0.00 179.97 181.48 1x4f h GLU 73 N -0.24 0.22 0.02 0.20 4.11 -1.98 0.80 114.58 117.72 1x4f h GLU 73 Ca -0.33 -0.01 -0.00 0.00 0.07 0.00 0.00 59.36 59.08 1x4f h GLU 73 Cb 1.82 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 31.02 1x4f h GLU 73 CO 0.06 0.15 -0.01 -0.44 0.07 0.00 0.00 179.01 178.84 1x4f h ASP 74 N 0.23 -0.02 -1.19 3.06 3.32 -1.75 -2.37 116.42 117.69 1x4f h ASP 74 Ca 0.62 0.00 0.42 0.00 0.02 0.00 0.00 57.03 58.09 1x4f h ASP 74 Cb 1.90 0.01 -0.15 0.00 0.22 0.00 0.00 39.33 41.31 1x4f h ASP 74 CO -0.22 0.03 0.73 0.00 -1.72 0.00 0.00 179.24 178.05 1x4f h ALA 75 N -1.90 2.47 -0.10 3.45 0.00 -1.52 0.57 119.26 122.23 1x4f h ALA 75 Ca -0.00 0.17 -0.05 0.00 0.00 0.00 0.00 54.91 55.03 1x4f h ALA 75 Cb 0.02 0.23 -0.00 0.00 0.00 0.00 0.00 17.79 18.04 1x4f h ALA 75 CO 0.00 -1.15 -0.13 0.52 0.00 0.00 0.00 179.25 178.50 1x4f h MET 76 N 0.09 0.25 -0.35 0.00 2.86 -0.96 -2.73 114.93 114.10 1x4f h MET 76 Ca 0.82 -0.15 0.10 0.00 -2.06 0.00 0.00 59.70 58.42 1x4f h MET 76 Cb 2.37 0.01 -0.01 0.00 0.06 0.00 0.00 31.60 34.03 1x4f h MET 76 CO -0.55 0.70 0.26 0.00 1.06 0.00 0.00 176.91 178.38 1x4f h ALA 77 N 0.55 2.30 0.18 6.32 0.00 0.66 0.11 119.26 129.37 1x4f h ALA 77 Ca 0.01 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 1x4f h ALA 77 Cb 0.67 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.49 1x4f h ALA 77 CO 0.03 -0.43 -0.08 1.98 0.00 0.00 0.00 179.25 180.74 1x4f h MET 78 N 0.00 -0.23 0.00 0.00 4.05 -1.14 -0.78 114.93 116.83 1x4f h MET 78 Ca 0.16 0.02 -0.02 0.00 -0.28 0.00 0.00 59.70 59.58 1x4f h MET 78 Cb 0.68 0.05 -0.00 0.00 -0.80 0.00 0.00 31.60 31.52 1x4f h MET 78 CO -0.00 0.18 -0.10 -0.39 0.23 0.00 0.00 176.91 176.83 1x4f h VAL 79 N -0.88 0.70 0.02 -5.77 -1.51 -1.13 -2.90 116.25 104.77 1x4f h VAL 79 Ca -0.02 -0.38 -0.00 0.00 -1.23 0.00 0.00 66.70 65.06 1x4f h VAL 79 Cb 0.51 1.23 0.00 0.00 -2.13 0.00 0.00 31.29 30.90 1x4f h VAL 79 CO 0.04 0.09 -0.01 -0.78 -1.23 0.00 0.00 177.57 175.68 1x4f h ASP 80 N 0.00 -0.02 -0.21 4.19 3.58 -0.82 -3.24 116.42 119.89 1x4f h ASP 80 Ca -0.00 -0.72 0.06 0.00 0.42 0.00 0.00 57.03 56.79 1x4f h ASP 80 Cb 0.22 0.01 -0.01 0.00 1.72 0.00 0.00 39.33 41.27 1x4f h ASP 80 CO 0.01 0.80 0.48 -0.74 -2.88 0.00 0.00 179.24 176.91 1x4f h HIS 81 N -0.94 0.00 0.06 0.28 2.76 -0.97 0.51 115.15 116.86 1x4f h HIS 81 Ca -0.00 0.00 -0.24 0.00 -2.20 0.00 0.00 60.37 57.93 1x4f h HIS 81 Cb 0.74 0.00 -0.01 0.00 1.55 0.00 0.00 27.41 29.70 1x4f h HIS 81 CO 0.20 0.00 -1.07 0.00 -1.30 0.00 0.00 177.93 175.76 1x4f h LEU 83 N 0.09 0.12 -0.07 0.00 3.38 -0.00 -3.29 115.31 115.54 1x4f h LEU 83 Ca -0.08 -0.38 -0.15 0.00 0.09 0.00 0.00 57.88 57.36 1x4f h LEU 83 Cb 1.76 -0.03 0.01 0.00 0.09 0.00 0.00 40.66 42.49 1x4f h LEU 83 CO 0.17 0.47 -0.53 0.11 0.09 0.00 0.00 178.44 178.76 1x4f h LYS 84 N -0.23 0.49 -5.77 1.13 6.56 -1.59 -3.44 116.57 113.72 1x4f h LYS 84 Ca 0.02 -0.43 -0.64 0.00 -1.06 0.00 0.00 60.65 58.54 1x4f h LYS 84 Cb 0.42 0.10 -0.31 0.00 -0.57 0.00 0.00 32.23 31.87 1x4f h LYS 84 CO 0.01 1.06 -0.87 0.15 -2.06 0.00 0.00 179.45 177.74 1x4f s LYS 85 N -3.56 2.23 -0.30 3.15 1.02 -0.28 -5.09 119.74 116.92 1x4f s LYS 85 Ca -0.13 -0.79 -0.29 0.00 0.02 0.00 0.00 55.97 54.78 1x4f s LYS 85 Cb 0.05 -1.92 -0.02 0.00 -0.52 0.00 0.00 37.83 35.42 1x4f s LYS 85 CO 0.82 0.34 1.73 0.00 -0.92 0.00 0.00 175.35 177.32 1x4f s ALA 86 N -0.11 2.99 -0.29 5.17 0.00 -1.25 -3.55 121.76 124.72 1x4f s ALA 86 Ca -0.03 0.31 -0.29 0.00 0.00 0.00 0.00 51.96 51.95 1x4f s ALA 86 Cb -0.13 -3.97 -0.00 0.00 0.00 0.00 0.00 23.12 19.02 1x4f s ALA 86 CO 0.03 -2.43 1.34 -1.17 0.00 0.00 0.00 175.76 173.53 1x4f s LEU 87 N 6.34 3.89 -0.18 0.00 0.20 -1.26 -5.00 118.68 122.67 1x4f s LEU 87 Ca 0.77 1.27 -0.03 0.00 0.69 0.00 0.00 54.13 56.83 1x4f s LEU 87 Cb -0.23 -3.54 -0.02 0.00 -0.43 0.00 0.00 46.19 41.98 1x4f s LEU 87 CO 0.33 -1.10 -0.06 0.26 -0.29 0.00 0.00 176.35 175.50 1x4f s TRP 88 N 4.46 2.95 -0.23 5.38 0.52 -1.26 -3.60 118.94 127.16 1x4f s TRP 88 Ca 0.58 -0.60 0.02 0.00 0.02 0.00 0.00 56.10 56.12 1x4f s TRP 88 Cb -0.18 -2.00 0.05 0.00 -1.15 0.00 0.00 33.47 30.19 1x4f s TRP 88 CO 0.24 -0.27 -0.14 0.12 0.02 0.00 0.00 176.95 176.92 1x4f s PHE 89 N 0.80 3.10 -1.05 -1.98 5.36 0.32 -4.65 117.98 119.89 1x4f s PHE 89 Ca -0.02 -2.10 0.00 0.00 -0.96 0.00 0.00 56.93 53.86 1x4f s PHE 89 Cb -0.15 -1.93 0.00 0.00 -0.34 0.00 0.00 43.02 40.61 1x4f s PHE 89 CO 0.02 -0.86 0.00 1.04 -1.46 0.00 0.00 175.22 173.96 1x4f n GLN 90 N 4.50 -1.54 -0.23 10.12 1.13 -1.26 -1.62 117.38 128.48 1x4f n GLN 90 Ca -0.16 0.82 0.00 0.00 -1.94 0.00 0.00 57.00 55.72 1x4f n GLN 90 Cb 0.45 -5.14 0.00 0.00 0.11 0.00 0.00 30.24 25.65 1x4f n GLN 90 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1x4f n GLY 91 N -0.06 1.51 3.05 1.08 0.00 -1.26 -5.10 105.19 104.41 1x4f n GLY 91 Ca -0.10 -0.13 -0.18 0.00 0.00 0.00 0.00 46.02 45.61 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 -1.06 0.76 -0.82 1.61 1.81 -0.64 -5.04 118.95 115.58 1x4f s ARG 92 Ca 0.00 -0.44 -0.08 0.00 -1.72 0.00 0.00 55.73 53.49 1x4f s ARG 92 Cb 0.00 -0.72 -0.14 0.00 -0.45 0.00 0.00 34.95 33.63 1x4f s ARG 92 CO 0.00 0.19 3.20 0.00 -0.68 0.00 0.00 175.30 178.01 1x4f n VAL 94 N 2.79 0.20 -2.71 0.00 3.14 -1.24 -4.91 118.33 115.60 1x4f n VAL 94 Ca 0.60 -0.04 -0.42 0.00 -2.96 0.00 0.00 64.34 61.53 1x4f n VAL 94 Cb 0.55 -1.36 -0.03 0.00 -1.06 0.00 0.00 33.84 31.94 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 2.06 4.55 -0.23 1.45 2.20 -0.44 -4.78 119.74 124.55 1x4f s LYS 95 Ca 0.87 1.41 0.01 0.00 -0.36 0.00 0.00 55.97 57.91 1x4f s LYS 95 Cb -0.83 -3.47 0.05 0.00 -1.51 0.00 0.00 37.83 32.07 1x4f s LYS 95 CO 0.49 -0.07 -0.09 0.54 -0.36 0.00 0.00 175.35 175.86 1x4f s VAL 96 N 1.09 1.77 0.00 4.02 0.11 -1.25 -0.41 120.40 125.73 1x4f s VAL 96 Ca 0.51 -1.25 0.00 0.00 -2.93 0.00 0.00 61.98 58.32 1x4f s VAL 96 Cb -0.21 -1.91 -0.00 0.00 -1.53 0.00 0.00 36.38 32.73 1x4f s VAL 96 CO 0.27 0.04 -0.01 1.51 -3.33 0.00 0.00 175.10 173.58 1x4f s ASP 97 N 1.31 0.14 0.01 3.54 -4.77 0.38 -4.54 116.67 112.74 1x4f s ASP 97 Ca -0.05 -0.08 -0.30 0.00 -3.30 0.00 0.00 52.55 48.82 1x4f s ASP 97 Cb -0.18 0.00 -0.06 0.00 -1.09 0.00 0.00 42.92 41.59 1x4f s ASP 97 CO -0.07 -0.03 1.48 -0.22 0.70 0.00 0.00 175.17 177.03 1x4f s LEU 98 N -0.21 4.33 -0.40 2.11 2.96 -1.26 0.28 118.68 126.49 1x4f s LEU 98 Ca -0.02 2.21 -0.27 0.00 -0.22 0.00 0.00 54.13 55.83 1x4f s LEU 98 Cb -0.02 -3.56 0.02 0.00 0.50 0.00 0.00 46.19 43.14 1x4f s LEU 98 CO -0.00 -0.77 0.99 -0.55 -1.32 0.00 0.00 176.35 174.69 1x4f s SER 99 N 2.10 6.68 -0.35 3.68 0.15 0.55 -4.86 113.70 121.64 1x4f s SER 99 Ca 0.67 0.55 -0.01 0.00 0.70 0.00 0.00 55.95 57.85 1x4f s SER 99 Cb -0.33 -2.49 0.21 0.00 -1.71 0.00 0.00 66.02 61.70 1x4f s SER 99 CO 0.28 -0.97 2.10 -0.62 1.20 0.00 0.00 173.24 175.23 1x4f n GLU 100 N 7.06 1.91 0.04 5.44 -0.58 -1.26 -4.26 120.64 128.98 1x4f n GLU 100 Ca 0.09 -1.73 0.00 0.00 -0.42 0.00 0.00 57.16 55.10 1x4f n GLU 100 Cb 0.48 -1.70 0.00 0.00 -0.57 0.00 0.00 31.44 29.65 1x4f n GLU 100 CO 0.00 0.00 0.00 1.17 -0.48 0.00 0.00 177.13 177.82 1x4f n LYS 101 N 0.34 0.00 -2.51 3.49 0.00 -1.26 -5.06 118.16 113.16 1x4f n LYS 101 Ca 0.34 0.00 -0.42 0.00 0.00 0.00 0.00 58.31 58.23 1x4f n LYS 101 Cb 0.58 -0.13 -0.03 0.00 0.00 0.00 0.00 35.03 35.45 1x4f n LYS 101 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.40 178.11 1x4f s TYR 102 N -1.41 3.53 0.07 5.64 2.02 -1.26 -4.94 117.35 120.99 1x4f s TYR 102 Ca 0.00 1.46 -0.06 0.00 -0.37 0.00 0.00 57.07 58.10 1x4f s TYR 102 Cb 0.00 -3.31 -0.29 0.00 -0.40 0.00 0.00 41.96 37.95 1x4f s TYR 102 CO 0.00 -0.82 1.12 -0.22 -1.57 0.00 0.00 175.55 174.06 1x4f h LYS 103 N 6.47 0.31 -2.19 -0.62 1.63 -1.89 -3.41 116.57 116.87 1x4f h LYS 103 Ca -0.42 -0.53 0.11 0.00 -0.85 0.00 0.00 60.65 58.96 1x4f h LYS 103 Cb 1.22 0.20 -0.16 0.00 -0.60 0.00 0.00 32.23 32.88 1x4f h LYS 103 CO 0.78 1.25 0.50 -1.59 -3.45 0.00 0.00 179.45 176.94 1x4f s LYS 104 N -2.65 0.79 -0.44 1.90 -2.85 -1.26 -3.40 119.74 111.83 1x4f s LYS 104 Ca -0.05 -0.25 -0.26 0.00 -1.00 0.00 0.00 55.97 54.41 1x4f s LYS 104 Cb 0.07 0.36 0.02 0.00 -2.06 0.00 0.00 37.83 36.23 1x4f s LYS 104 CO 0.89 -0.34 0.97 -0.51 0.10 0.00 0.00 175.35 176.47 1x4f s LEU 105 N -2.33 3.92 -0.85 2.77 1.43 -1.26 -4.98 118.68 117.38 1x4f s LEU 105 Ca 0.04 0.32 -0.20 0.00 -1.03 0.00 0.00 54.13 53.26 1x4f s LEU 105 Cb -0.01 -3.29 0.11 0.00 0.03 0.00 0.00 46.19 43.03 1x4f s LEU 105 CO -0.08 -1.05 1.06 -0.69 0.23 0.00 0.00 176.35 175.83 1x4f s VAL 106 N 3.84 4.63 -0.08 -1.59 1.01 -1.26 -4.78 120.40 122.17 1x4f s VAL 106 Ca 0.40 -1.25 -0.10 0.00 0.00 0.00 0.00 61.98 61.02 1x4f s VAL 106 Cb -0.10 -4.74 -0.03 0.00 0.00 0.00 0.00 36.38 31.50 1x4f s VAL 106 CO 0.25 -1.48 -0.20 -1.20 0.00 0.00 0.00 175.10 172.48 1x4f n SER 107 N 6.82 1.40 -4.78 3.32 7.64 -1.26 -5.07 113.62 121.69 1x4f n SER 107 Ca 0.15 0.23 -0.23 0.00 1.01 0.00 0.00 58.87 60.03 1x4f n SER 107 Cb 0.48 -0.57 -0.06 0.00 -1.01 0.00 0.00 64.21 63.05 1x4f n SER 107 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1x4f s GLY 108 N -4.36 2.11 1.23 0.23 0.00 -1.26 -5.13 107.32 100.14 1x4f s GLY 108 Ca -0.17 -1.92 -0.20 0.00 0.00 0.00 0.00 44.72 42.43 1x4f s GLY 108 CO 0.25 -1.78 1.11 2.56 0.00 0.00 0.00 173.10 175.24 1x4f s PRO 109 N -3.95 -1.43 0.00 2.90 0.04 -1.26 -5.00 135.00 126.30 1x4f s PRO 109 Ca 0.42 -0.14 0.00 0.00 0.04 0.00 0.00 61.00 61.32 1x4f s PRO 109 Cb -0.01 -1.58 0.00 0.00 0.04 0.00 0.00 34.50 32.95 1x4f s PRO 109 CO 0.24 -3.83 0.00 0.45 0.04 0.00 0.00 177.00 173.90 1x4f n SER 110 N -4.83 0.00 -3.30 6.66 2.88 -1.26 -4.98 113.62 108.79 1x4f n SER 110 Ca 0.14 0.00 -0.38 0.00 -1.33 0.00 0.00 58.87 57.30 1x4f n SER 110 Cb 0.60 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.06 1x4f n SER 110 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 1x4f n SER 111 N -1.18 7.50 0.00 -3.46 3.41 -1.26 -5.34 113.62 113.29 1x4f n SER 111 Ca 0.00 -3.44 0.00 0.00 -0.26 0.00 0.00 58.87 55.17 1x4f n SER 111 Cb 0.00 -1.23 0.00 0.00 -0.26 0.00 0.00 64.21 62.72 1x4f n SER 111 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49