#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 0.00 -3.69 1.61 7.64 -1.26 -5.17 113.62 112.75 1x4f n SER 2 Ca 0.00 0.00 -0.10 0.00 1.01 0.00 0.00 58.87 59.78 1x4f n SER 2 Cb 0.00 0.00 -0.10 0.00 -1.01 0.00 0.00 64.21 63.10 1x4f n SER 2 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1x4f s SER 3 N 0.00 -0.55 -0.09 6.43 0.01 -1.26 -5.16 113.70 113.08 1x4f s SER 3 Ca 0.00 0.94 -0.02 0.00 1.31 0.00 0.00 55.95 58.19 1x4f s SER 3 Cb 0.00 0.82 -0.03 0.00 0.21 0.00 0.00 66.02 67.02 1x4f s SER 3 CO 0.00 -0.20 -0.02 -0.83 0.41 0.00 0.00 173.24 172.60 1x4f s GLY 4 N 1.38 1.80 -0.28 3.44 0.00 -1.26 -5.10 107.32 107.30 1x4f s GLY 4 Ca -0.09 -0.83 -0.18 0.00 0.00 0.00 0.00 44.72 43.62 1x4f s GLY 4 CO -0.13 -0.51 0.83 -0.56 0.00 0.00 0.00 173.10 172.73 1x4f s SER 5 N -0.66 -0.72 0.00 1.64 0.01 -1.26 -5.17 113.70 107.54 1x4f s SER 5 Ca 0.10 1.19 0.01 0.00 1.31 0.00 0.00 55.95 58.56 1x4f s SER 5 Cb -0.12 1.28 -0.01 0.00 0.21 0.00 0.00 66.02 67.39 1x4f s SER 5 CO 0.02 -0.19 -0.03 -0.94 0.41 0.00 0.00 173.24 172.51 1x4f s SER 6 N 1.25 0.38 0.00 2.44 1.04 -1.26 -5.11 113.70 112.45 1x4f s SER 6 Ca -0.07 -0.13 0.00 0.00 0.48 0.00 0.00 55.95 56.23 1x4f s SER 6 Cb -0.05 -0.02 0.00 0.00 0.10 0.00 0.00 66.02 66.05 1x4f s SER 6 CO -0.15 -0.01 0.00 0.61 0.98 0.00 0.00 173.24 174.68 1x4f n GLY 7 N 2.78 0.67 2.96 7.32 0.00 -1.26 -4.85 105.19 112.81 1x4f n GLY 7 Ca -0.14 -0.57 -0.08 0.00 0.00 0.00 0.00 46.02 45.22 1x4f n GLY 7 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1x4f n LYS 8 N 0.00 -0.57 -1.26 1.61 5.02 -1.26 -4.77 118.16 116.94 1x4f n LYS 8 Ca 0.00 0.81 -0.38 0.00 -2.02 0.00 0.00 58.31 56.72 1x4f n LYS 8 Cb 0.00 -1.07 0.04 0.00 -0.02 0.00 0.00 35.03 33.98 1x4f n LYS 8 CO 0.00 0.00 0.00 0.36 -0.52 0.00 0.00 177.40 177.24 1x4f n LYS 9 N 0.88 0.18 -2.25 1.97 2.85 -1.26 -4.87 118.16 115.65 1x4f n LYS 9 Ca -0.02 0.08 -0.41 0.00 -1.05 0.00 0.00 58.31 56.91 1x4f n LYS 9 Cb 0.48 -1.37 -0.03 0.00 -0.65 0.00 0.00 35.03 33.46 1x4f n LYS 9 CO 0.00 0.00 0.00 -1.25 -0.05 0.00 0.00 177.40 176.10 1x4f s PRO 10 N -1.86 4.45 0.12 -1.58 0.04 -1.26 -5.03 135.00 129.88 1x4f s PRO 10 Ca 0.59 2.05 -0.13 0.00 0.04 0.00 0.00 61.00 63.55 1x4f s PRO 10 Cb -0.40 -3.14 -0.07 0.00 0.04 0.00 0.00 34.50 30.93 1x4f s PRO 10 CO 0.64 -0.09 0.51 -1.83 0.04 0.00 0.00 177.00 176.27 1x4f s GLU 11 N -1.23 3.93 0.00 4.56 -1.05 -1.26 -5.05 118.70 118.60 1x4f s GLU 11 Ca 0.50 0.42 0.00 0.00 -0.15 0.00 0.00 54.97 55.73 1x4f s GLU 11 Cb -0.36 -2.97 0.00 0.00 -0.44 0.00 0.00 34.13 30.35 1x4f s GLU 11 CO 0.45 0.51 0.00 0.41 0.95 0.00 0.00 175.26 177.59 1x4f n GLY 12 N 0.91 0.11 3.06 -3.83 0.00 -1.26 -5.06 105.19 99.11 1x4f n GLY 12 Ca -0.07 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.79 1x4f n GLY 12 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1x4f n LYS 13 N 0.00 -2.21 -0.09 1.61 4.76 -1.26 -4.92 118.16 116.06 1x4f n LYS 13 Ca 0.00 1.89 -0.11 0.00 -2.87 0.00 0.00 58.31 57.21 1x4f n LYS 13 Cb 0.00 -4.63 0.01 0.00 -1.84 0.00 0.00 35.03 28.58 1x4f n LYS 13 CO 0.00 0.00 0.00 -1.00 -1.37 0.00 0.00 177.40 175.03 1x4f h PRO 14 N 1.93 0.83 -5.09 1.97 0.13 -2.06 -3.49 132.00 126.21 1x4f h PRO 14 Ca -0.17 -0.44 0.00 0.00 -0.87 0.00 0.00 66.00 64.52 1x4f h PRO 14 Cb 1.12 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.27 1x4f h PRO 14 CO 0.22 1.07 -0.56 -3.47 -0.23 0.00 0.00 178.00 175.03 1x4f n ASP 15 N -4.05 -7.57 0.00 1.44 -0.08 -1.26 -5.00 116.55 100.03 1x4f n ASP 15 Ca -0.02 0.68 0.00 0.00 -1.51 0.00 0.00 54.79 53.93 1x4f n ASP 15 Cb 0.54 -5.09 0.00 0.00 2.34 0.00 0.00 41.12 38.91 1x4f n ASP 15 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1x4f n GLN 16 N -0.11 0.35 -3.40 -0.67 1.13 -1.26 -5.07 117.38 108.35 1x4f n GLN 16 Ca 0.09 0.00 -0.18 0.00 -1.94 0.00 0.00 57.00 54.97 1x4f n GLN 16 Cb 0.34 -0.64 0.07 0.00 0.11 0.00 0.00 30.24 30.12 1x4f n GLN 16 CO 0.00 0.00 0.00 1.63 -1.44 0.00 0.00 177.06 177.25 1x4f n LYS 17 N -1.52 -3.56 -3.85 -1.09 4.76 -1.26 -5.00 118.16 106.64 1x4f n LYS 17 Ca 0.00 0.79 -0.05 0.00 -2.87 0.00 0.00 58.31 56.18 1x4f n LYS 17 Cb 0.14 -5.58 0.02 0.00 -1.84 0.00 0.00 35.03 27.77 1x4f n LYS 17 CO 0.00 0.00 0.00 -0.06 -1.37 0.00 0.00 177.40 175.97 1x4f s PHE 18 N -3.42 0.06 -0.04 2.13 0.08 -1.26 -5.17 117.98 110.36 1x4f s PHE 18 Ca 0.29 -0.52 0.02 0.00 0.12 0.00 0.00 56.93 56.85 1x4f s PHE 18 Cb -0.05 0.73 0.01 0.00 -0.57 0.00 0.00 43.02 43.14 1x4f s PHE 18 CO 0.76 -1.08 -0.09 -0.51 -0.10 0.00 0.00 175.22 174.20 1x4f s ASP 19 N -3.27 1.25 0.08 1.36 1.11 -1.26 -5.15 116.67 110.79 1x4f s ASP 19 Ca 0.19 -0.19 0.00 0.00 0.18 0.00 0.00 52.55 52.73 1x4f s ASP 19 Cb -0.03 -0.42 -0.04 0.00 1.07 0.00 0.00 42.92 43.49 1x4f s ASP 19 CO 0.07 0.04 -0.04 0.00 1.18 0.00 0.00 175.17 176.42 1x4f s GLN 20 N 0.40 0.76 -0.89 8.23 -2.07 -1.26 -5.10 119.66 119.73 1x4f s GLN 20 Ca -0.07 -1.31 -0.03 0.00 -1.82 0.00 0.00 55.36 52.14 1x4f s GLN 20 Cb -0.11 0.01 0.22 0.00 -1.09 0.00 0.00 33.01 32.04 1x4f s GLN 20 CO 0.01 -0.09 0.78 0.21 -1.32 0.00 0.00 175.29 174.88 1x4f s LYS 21 N -3.90 3.29 -0.38 9.60 2.36 -1.26 -4.94 119.74 124.52 1x4f s LYS 21 Ca 0.12 -3.20 0.02 0.00 -2.55 0.00 0.00 55.97 50.36 1x4f s LYS 21 Cb 0.07 -3.99 0.15 0.00 -1.05 0.00 0.00 37.83 33.01 1x4f s LYS 21 CO -0.06 -1.26 0.29 -1.14 1.55 0.00 0.00 175.35 174.73 1x4f s GLN 22 N -1.21 0.70 -0.28 4.03 2.00 -1.26 -5.00 119.66 118.64 1x4f s GLN 22 Ca 0.27 -1.57 -0.25 0.00 -2.00 0.00 0.00 55.36 51.80 1x4f s GLN 22 Cb -0.09 -1.26 0.04 0.00 0.80 0.00 0.00 33.01 32.51 1x4f s GLN 22 CO -0.11 -1.28 0.42 0.39 -0.50 0.00 0.00 175.29 174.21 1x4f n GLU 23 N 3.58 -1.26 -1.21 1.67 4.71 -1.26 -4.91 120.64 121.97 1x4f n GLU 23 Ca 0.19 1.03 -0.29 0.00 -0.01 0.00 0.00 57.16 58.07 1x4f n GLU 23 Cb 0.42 -1.42 0.21 0.00 -1.01 0.00 0.00 31.44 29.64 1x4f n GLU 23 CO 0.00 0.00 0.00 -0.51 0.09 0.00 0.00 177.13 176.71 1x4f s LEU 24 N -1.72 1.20 0.05 -4.62 2.01 -1.26 -4.93 118.68 109.41 1x4f s LEU 24 Ca 0.25 0.78 -0.30 0.00 0.01 0.00 0.00 54.13 54.87 1x4f s LEU 24 Cb -0.03 -2.71 -0.08 0.00 0.01 0.00 0.00 46.19 43.38 1x4f s LEU 24 CO 0.56 -3.62 1.65 -0.83 1.01 0.00 0.00 176.35 175.12 1x4f s GLY 25 N -3.85 1.56 -0.44 -3.19 0.00 -1.26 -4.82 107.32 95.32 1x4f s GLY 25 Ca 0.69 1.16 -0.10 0.00 0.00 0.00 0.00 44.72 46.48 1x4f s GLY 25 CO 0.56 2.91 0.29 0.50 0.00 0.00 0.00 173.10 177.37 1x4f s ARG 26 N 2.87 2.60 -0.31 2.90 3.00 -1.24 -4.89 118.95 123.87 1x4f s ARG 26 Ca 0.74 -1.53 -0.02 0.00 0.00 0.00 0.00 55.73 54.92 1x4f s ARG 26 Cb -0.39 -3.85 0.10 0.00 0.00 0.00 0.00 34.95 30.82 1x4f s ARG 26 CO 0.32 -1.03 0.13 0.08 0.00 0.00 0.00 175.30 174.80 1x4f s VAL 27 N 1.43 0.48 -0.57 3.52 1.01 -1.26 -3.61 120.40 121.40 1x4f s VAL 27 Ca 0.04 -1.24 -0.28 0.00 0.00 0.00 0.00 61.98 60.50 1x4f s VAL 27 Cb -0.24 -1.38 0.01 0.00 0.00 0.00 0.00 36.38 34.78 1x4f s VAL 27 CO 0.02 -0.73 1.41 -0.63 0.00 0.00 0.00 175.10 175.16 1x4f s ILE 28 N 1.69 3.78 -0.20 2.22 -1.09 0.44 -0.16 121.20 127.89 1x4f s ILE 28 Ca 0.11 0.66 -0.28 0.00 -2.23 0.00 0.00 60.65 58.90 1x4f s ILE 28 Cb -0.18 -4.46 -0.00 0.00 -1.58 0.00 0.00 42.46 36.25 1x4f s ILE 28 CO -0.26 -1.20 0.98 -2.28 -1.23 0.00 0.00 174.94 170.94 1x4f s HIS 29 N 6.06 3.39 -0.31 3.97 2.46 0.57 -1.48 115.29 129.94 1x4f s HIS 29 Ca 0.52 1.43 -0.03 0.00 0.47 0.00 0.00 55.06 57.44 1x4f s HIS 29 Cb -0.11 -3.19 0.05 0.00 -0.13 0.00 0.00 32.58 29.20 1x4f s HIS 29 CO 0.24 -0.38 0.04 -0.51 -2.47 0.00 0.00 174.74 171.66 1x4f s LEU 30 N 2.75 4.06 0.26 8.88 1.43 0.22 -1.34 118.68 134.93 1x4f s LEU 30 Ca 0.43 -1.26 0.08 0.00 -1.03 0.00 0.00 54.13 52.36 1x4f s LEU 30 Cb -0.16 -1.76 -0.04 0.00 0.03 0.00 0.00 46.19 44.26 1x4f s LEU 30 CO 0.10 -0.29 0.10 -0.94 0.23 0.00 0.00 176.35 175.55 1x4f s SER 31 N 1.32 5.04 -1.08 2.29 1.04 0.17 -2.28 113.70 120.19 1x4f s SER 31 Ca -0.04 -0.44 -0.02 0.00 0.48 0.00 0.00 55.95 55.93 1x4f s SER 31 Cb -0.20 -1.13 0.00 0.00 0.10 0.00 0.00 66.02 64.79 1x4f s SER 31 CO -0.00 -0.02 0.92 -3.20 0.98 0.00 0.00 173.24 171.92 1x4f n ASN 32 N -1.01 -3.15 -4.81 7.02 5.15 -1.23 -0.75 115.26 116.47 1x4f n ASN 32 Ca -0.07 -0.52 -0.34 0.00 -0.60 0.00 0.00 54.58 53.05 1x4f n ASN 32 Cb 0.58 -4.49 -0.07 0.00 -0.53 0.00 0.00 39.78 35.28 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 -5.99 4.10 0.00 1.20 1.43 -1.23 -4.19 118.68 114.00 1x4f s LEU 33 Ca 0.15 1.63 0.00 0.00 -1.03 0.00 0.00 54.13 54.88 1x4f s LEU 33 Cb -0.07 -4.24 0.00 0.00 0.03 0.00 0.00 46.19 41.92 1x4f s LEU 33 CO 0.63 -0.22 0.00 -0.81 0.23 0.00 0.00 176.35 176.18 1x4f n PRO 34 N -0.15 -0.85 -2.70 1.29 -0.04 -1.26 -4.90 135.00 126.37 1x4f n PRO 34 Ca 0.04 0.00 -0.07 0.00 -0.04 0.00 0.00 63.50 63.43 1x4f n PRO 34 Cb 0.53 0.00 0.10 0.00 -0.04 0.00 0.00 33.50 34.08 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 -2.34 -2.24 -0.46 0.54 -0.00 -1.26 -4.97 115.22 104.48 1x4f n HIS 35 Ca 0.00 -1.78 -0.03 0.00 0.46 0.00 0.00 57.72 56.37 1x4f n HIS 35 Cb 0.00 1.54 0.24 0.00 -0.12 0.00 0.00 29.99 31.65 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 -0.18 4.12 -1.52 0.26 7.64 -1.26 -4.86 113.62 117.81 1x4f n SER 36 Ca -0.03 -2.85 -0.07 0.00 1.01 0.00 0.00 58.87 56.93 1x4f n SER 36 Cb 0.77 -0.68 0.03 0.00 -1.01 0.00 0.00 64.21 63.32 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 0.04 0.44 3.85 0.23 0.00 -1.26 -5.05 105.19 103.43 1x4f n GLY 37 Ca 0.29 -0.37 -0.24 0.00 0.00 0.00 0.00 46.02 45.69 1x4f n GLY 37 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 173.32 174.90 1x4f n TYR 38 N -3.09 -3.21 -4.34 1.61 4.11 -1.26 -5.11 117.16 105.86 1x4f n TYR 38 Ca -0.01 -1.60 -0.26 0.00 -0.00 0.00 0.00 57.90 56.03 1x4f n TYR 38 Cb 0.52 -0.80 -0.09 0.00 -0.00 0.00 0.00 39.34 38.97 1x4f n TYR 38 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.86 177.31 1x4f s SER 39 N -5.24 4.10 0.26 9.48 0.15 -1.26 -5.02 113.70 116.17 1x4f s SER 39 Ca 0.68 -0.70 -0.08 0.00 0.70 0.00 0.00 55.95 56.54 1x4f s SER 39 Cb -0.03 -0.62 0.43 0.00 -1.71 0.00 0.00 66.02 64.09 1x4f s SER 39 CO 0.46 0.07 1.58 -2.24 1.20 0.00 0.00 173.24 174.32 1x4f h ASP 40 N 2.63 -0.75 -0.87 5.45 2.03 -2.00 0.37 116.42 123.28 1x4f h ASP 40 Ca -0.45 0.26 0.23 0.00 -0.73 0.00 0.00 57.03 56.34 1x4f h ASP 40 Cb 1.22 0.52 -0.15 0.00 -0.83 0.00 0.00 39.33 40.10 1x4f h ASP 40 CO 0.55 -0.29 0.14 0.28 -1.03 0.00 0.00 179.24 178.90 1x4f h SER 41 N 0.01 -0.17 -0.81 4.15 0.02 -1.97 0.83 113.55 115.61 1x4f h SER 41 Ca 0.44 0.21 0.16 0.00 -0.84 0.00 0.00 61.79 61.76 1x4f h SER 41 Cb 0.71 0.33 -0.06 0.00 0.14 0.00 0.00 62.40 63.52 1x4f h SER 41 CO -0.89 -0.20 0.53 0.00 -1.14 0.00 0.00 176.83 175.13 1x4f h ALA 42 N 1.80 2.11 0.00 3.77 0.00 -0.66 0.34 119.26 126.61 1x4f h ALA 42 Ca 0.53 0.01 -0.09 0.00 0.00 0.00 0.00 54.91 55.36 1x4f h ALA 42 Cb 1.05 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.77 1x4f h ALA 42 CO -0.71 -0.33 -0.41 0.28 0.00 0.00 0.00 179.25 178.08 1x4f h VAL 43 N 0.44 0.73 0.00 0.00 2.07 0.66 -3.15 116.25 117.01 1x4f h VAL 43 Ca 0.40 -1.95 0.00 0.00 0.82 0.00 0.00 66.70 65.97 1x4f h VAL 43 Cb 0.91 2.30 0.00 0.00 -1.52 0.00 0.00 31.29 32.98 1x4f h VAL 43 CO -0.14 0.41 -0.59 0.18 0.02 0.00 0.00 177.57 177.45 1x4f n LEU 44 N -3.24 0.56 0.13 2.57 4.77 0.71 -3.96 117.00 118.55 1x4f n LEU 44 Ca 0.02 0.01 0.03 0.00 -0.03 0.00 0.00 56.01 56.05 1x4f n LEU 44 Cb 0.68 -0.22 0.43 0.00 -2.33 0.00 0.00 43.42 41.98 1x4f n LEU 44 CO 0.39 0.10 0.95 0.11 -1.33 0.00 0.00 177.39 177.60 1x4f h LYS 45 N 0.00 0.23 0.00 3.23 1.57 -0.47 1.24 116.57 122.37 1x4f h LYS 45 Ca 0.00 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.74 1x4f h LYS 45 Cb 0.56 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 32.83 1x4f h LYS 45 CO 0.00 0.32 0.00 1.47 -0.57 0.00 0.00 179.45 180.67 1x4f n LEU 46 N -4.33 0.00 0.00 2.94 -0.00 -1.25 -3.23 117.00 111.13 1x4f n LEU 46 Ca -0.01 0.44 0.00 0.00 -0.00 0.00 0.00 56.01 56.44 1x4f n LEU 46 Cb 0.22 -0.44 0.00 0.00 -0.00 0.00 0.00 43.42 43.20 1x4f n LEU 46 CO 0.37 -0.04 0.06 0.00 -0.00 0.00 0.00 177.39 177.79 1x4f n ALA 47 N -1.44 1.85 0.46 1.47 0.00 -0.31 -4.71 120.51 117.83 1x4f n ALA 47 Ca 0.08 -0.13 -0.18 0.00 0.00 0.00 0.00 53.44 53.21 1x4f n ALA 47 Cb 0.28 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.65 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 -1.13 0.00 0.00 4.39 0.15 -1.94 114.58 116.05 1x4f h GLU 48 Ca 0.00 0.08 0.00 0.00 0.34 0.00 0.00 59.36 59.78 1x4f h GLU 48 Cb 0.02 0.26 0.00 0.00 -0.10 0.00 0.00 28.75 28.93 1x4f h GLU 48 CO 0.00 -0.76 0.00 -0.35 -1.16 0.00 0.00 179.01 176.74 1x4f n PRO 49 N -5.26 0.49 -0.07 2.33 -0.04 -1.26 -2.53 135.00 128.66 1x4f n PRO 49 Ca -0.15 0.00 -0.16 0.00 -0.04 0.00 0.00 63.50 63.15 1x4f n PRO 49 Cb 0.46 -1.47 -0.14 0.00 -0.04 0.00 0.00 33.50 32.31 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 -0.97 0.55 -3.57 0.54 4.02 -0.98 -5.07 117.16 111.68 1x4f n TYR 50 Ca 0.11 0.14 0.03 0.00 -0.01 0.00 0.00 57.90 58.17 1x4f n TYR 50 Cb 0.05 -1.08 -0.00 0.00 -0.02 0.00 0.00 39.34 38.29 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 -5.82 -0.46 -0.15 2.72 0.00 -0.77 -4.32 107.32 98.52 1x4f s GLY 51 Ca -0.22 1.07 -0.29 0.00 0.00 0.00 0.00 44.72 45.28 1x4f s GLY 51 CO 0.73 0.23 1.64 0.54 0.00 0.00 0.00 173.10 176.24 1x4f s LYS 52 N -2.05 3.94 -0.82 2.90 -0.14 -1.26 -4.46 119.74 117.85 1x4f s LYS 52 Ca 0.14 1.88 -0.25 0.00 -1.36 0.00 0.00 55.97 56.38 1x4f s LYS 52 Cb 0.07 -4.02 -0.03 0.00 -1.68 0.00 0.00 37.83 32.17 1x4f s LYS 52 CO -0.06 -1.13 1.86 0.42 -0.76 0.00 0.00 175.35 175.68 1x4f s ILE 53 N 4.80 3.47 -0.00 2.17 1.01 -1.26 -0.30 121.20 131.08 1x4f s ILE 53 Ca 0.72 -0.21 0.29 0.00 0.00 0.00 0.00 60.65 61.45 1x4f s ILE 53 Cb -0.28 -4.10 0.34 0.00 0.01 0.00 0.00 42.46 38.43 1x4f s ILE 53 CO 0.29 -1.04 1.86 0.11 0.00 0.00 0.00 174.94 176.16 1x4f h LYS 54 N 12.19 0.00 -1.44 2.79 6.56 -1.60 -3.46 116.57 131.61 1x4f h LYS 54 Ca -0.01 0.00 0.14 0.00 -1.06 0.00 0.00 60.65 59.72 1x4f h LYS 54 Cb 1.05 0.00 -0.24 0.00 -0.57 0.00 0.00 32.23 32.48 1x4f h LYS 54 CO 1.23 0.07 0.68 1.21 -2.06 0.00 0.00 179.45 180.58 1x4f s ASN 55 N -5.93 -0.26 0.01 0.86 2.47 -1.12 -5.01 114.94 105.95 1x4f s ASN 55 Ca 0.02 0.25 -0.12 0.00 0.42 0.00 0.00 52.86 53.44 1x4f s ASN 55 Cb 0.08 0.22 0.01 0.00 -1.45 0.00 0.00 41.25 40.12 1x4f s ASN 55 CO 0.60 -0.26 0.24 -0.72 -3.72 0.00 0.00 177.10 173.24 1x4f s TYR 56 N -1.26 -0.06 -0.10 0.43 1.13 -1.26 0.25 117.35 116.48 1x4f s TYR 56 Ca 0.02 0.01 -0.02 0.00 -1.41 0.00 0.00 57.07 55.67 1x4f s TYR 56 Cb -0.01 0.03 0.03 0.00 -1.10 0.00 0.00 41.96 40.92 1x4f s TYR 56 CO -0.02 -0.39 0.01 0.42 -2.51 0.00 0.00 175.55 173.06 1x4f s ILE 57 N -1.78 0.42 -0.64 -3.49 -1.09 0.14 -4.95 121.20 109.81 1x4f s ILE 57 Ca -0.11 -0.01 -0.10 0.00 -2.23 0.00 0.00 60.65 58.20 1x4f s ILE 57 Cb -0.04 -0.64 0.16 0.00 -1.58 0.00 0.00 42.46 40.36 1x4f s ILE 57 CO 0.01 0.17 0.53 -0.76 -1.23 0.00 0.00 174.94 173.66 1x4f s LEU 58 N 1.95 6.01 -0.28 2.97 2.01 -1.26 -0.65 118.68 129.42 1x4f s LEU 58 Ca 0.04 -2.39 -0.17 0.00 0.01 0.00 0.00 54.13 51.62 1x4f s LEU 58 Cb -0.13 -2.07 -0.03 0.00 0.01 0.00 0.00 46.19 43.98 1x4f s LEU 58 CO -0.06 -0.59 0.47 -0.04 1.01 0.00 0.00 176.35 177.13 1x4f s MET 59 N 0.64 3.95 0.14 1.70 -1.94 0.13 -4.93 119.30 118.99 1x4f s MET 59 Ca 0.12 0.12 0.19 0.00 -1.71 0.00 0.00 55.69 54.42 1x4f s MET 59 Cb -0.20 -3.69 -0.06 0.00 2.01 0.00 0.00 34.83 32.90 1x4f s MET 59 CO -0.04 -0.39 0.96 0.07 -0.01 0.00 0.00 175.02 175.61 1x4f h ARG 60 N 8.16 0.00 0.00 2.03 0.11 -1.97 0.83 114.38 123.55 1x4f h ARG 60 Ca -0.30 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.78 1x4f h ARG 60 Cb 1.14 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.22 1x4f h ARG 60 CO 0.70 0.16 0.00 -1.33 0.10 0.00 0.00 179.97 179.61 1x4f n MET 61 N -2.81 0.00 -1.80 0.08 2.81 -1.26 -2.47 117.12 111.67 1x4f n MET 61 Ca -0.05 0.48 -0.31 0.00 -1.81 0.00 0.00 57.70 56.02 1x4f n MET 61 Cb 0.70 -0.90 0.04 0.00 -0.71 0.00 0.00 33.22 32.35 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 -1.21 3.11 -3.60 0.03 5.02 -1.26 -4.95 118.16 115.29 1x4f n LYS 62 Ca 0.00 -3.78 -0.24 0.00 -2.02 0.00 0.00 58.31 52.28 1x4f n LYS 62 Cb 0.00 -2.28 0.01 0.00 -0.02 0.00 0.00 35.03 32.74 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 -0.73 -5.51 -4.02 4.39 7.64 -1.03 -4.79 113.62 109.56 1x4f n SER 63 Ca 0.52 -0.61 -0.09 0.00 1.01 0.00 0.00 58.87 59.69 1x4f n SER 63 Cb 0.70 -2.31 -0.08 0.00 -1.01 0.00 0.00 64.21 61.50 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 -4.07 1.05 -0.15 1.43 -0.21 0.28 -3.51 119.66 114.49 1x4f s GLN 64 Ca 0.09 -1.25 -0.29 0.00 0.02 0.00 0.00 55.36 53.93 1x4f s GLN 64 Cb -0.01 0.33 0.11 0.00 1.00 0.00 0.00 33.01 34.44 1x4f s GLN 64 CO 0.87 -0.35 0.92 0.00 -2.12 0.00 0.00 175.29 174.60 1x4f s ALA 65 N -3.99 -1.89 -0.16 6.09 0.00 -0.97 0.17 121.76 121.01 1x4f s ALA 65 Ca 0.19 1.58 0.00 0.00 0.00 0.00 0.00 51.96 53.73 1x4f s ALA 65 Cb 0.05 -0.66 0.03 0.00 0.00 0.00 0.00 23.12 22.54 1x4f s ALA 65 CO -0.00 -0.31 -0.09 -0.06 0.00 0.00 0.00 175.76 175.29 1x4f s PHE 66 N -0.89 1.96 -0.29 0.00 0.40 0.18 -0.61 117.98 118.72 1x4f s PHE 66 Ca -0.03 -1.19 -0.07 0.00 -0.60 0.00 0.00 56.93 55.04 1x4f s PHE 66 Cb -0.01 -1.45 0.01 0.00 0.51 0.00 0.00 43.02 42.08 1x4f s PHE 66 CO 0.03 -0.65 0.07 0.42 0.70 0.00 0.00 175.22 175.79 1x4f s ILE 67 N 1.55 3.94 -0.57 0.64 1.01 -0.55 0.27 121.20 127.49 1x4f s ILE 67 Ca 0.02 -0.69 -0.22 0.00 0.00 0.00 0.00 60.65 59.76 1x4f s ILE 67 Cb -0.15 -3.02 0.06 0.00 0.01 0.00 0.00 42.46 39.36 1x4f s ILE 67 CO -0.09 0.09 0.84 -0.70 0.00 0.00 0.00 174.94 175.09 1x4f s GLU 68 N 1.50 3.20 1.29 2.79 2.12 0.14 -0.42 118.70 129.32 1x4f s GLU 68 Ca 0.03 -0.64 -0.19 0.00 0.36 0.00 0.00 54.97 54.53 1x4f s GLU 68 Cb -0.17 -4.12 0.32 0.00 0.26 0.00 0.00 34.13 30.42 1x4f s GLU 68 CO 0.02 -1.49 1.00 -1.64 -0.54 0.00 0.00 175.26 172.62 1x4f s MET 69 N 3.52 -1.90 -0.11 4.30 -1.94 -1.24 -1.97 119.30 119.96 1x4f s MET 69 Ca 0.23 0.27 -0.27 0.00 -1.71 0.00 0.00 55.69 54.20 1x4f s MET 69 Cb -0.16 -1.49 -0.24 0.00 2.01 0.00 0.00 34.83 34.95 1x4f s MET 69 CO 0.14 -4.23 0.86 1.49 -0.01 0.00 0.00 175.02 173.28 1x4f h GLU 70 N -2.96 -0.01 0.00 2.03 4.81 -0.94 -3.39 114.58 114.12 1x4f h GLU 70 Ca -0.49 0.00 -0.66 0.00 -0.13 0.00 0.00 59.36 58.08 1x4f h GLU 70 Cb 1.33 0.00 -0.13 0.00 0.63 0.00 0.00 28.75 30.59 1x4f h GLU 70 CO 0.37 0.84 -0.48 0.25 -0.73 0.00 0.00 179.01 179.26 1x4f n THR 71 N -4.68 0.00 0.04 0.32 -2.24 -1.26 -5.01 114.28 101.45 1x4f n THR 71 Ca -0.09 -2.41 -0.20 0.00 -2.27 0.00 0.00 64.05 59.08 1x4f n THR 71 Cb 0.41 0.49 -0.11 0.00 -2.10 0.00 0.00 70.33 69.02 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 0.60 0.09 -0.78 9.65 -1.92 -3.30 114.38 118.71 1x4f h ARG 72 Ca -0.42 -0.67 0.01 0.00 -1.10 0.00 0.00 59.98 57.79 1x4f h ARG 72 Cb 1.28 0.20 -0.02 0.00 -1.39 0.00 0.00 29.97 30.03 1x4f h ARG 72 CO 0.70 1.27 -0.29 1.49 2.80 0.00 0.00 179.97 185.94 1x4f h GLU 73 N 0.21 -0.41 -0.36 0.20 4.81 -1.97 -0.31 114.58 116.75 1x4f h GLU 73 Ca -0.12 0.03 0.03 0.00 -0.13 0.00 0.00 59.36 59.17 1x4f h GLU 73 Cb 1.62 0.09 -0.04 0.00 0.63 0.00 0.00 28.75 31.05 1x4f h GLU 73 CO 0.18 -0.27 -0.21 -0.25 -0.73 0.00 0.00 179.01 177.73 1x4f n ASP 74 N -4.08 -0.38 -0.25 1.04 8.00 -1.26 0.23 116.55 119.86 1x4f n ASP 74 Ca -0.05 1.25 0.04 0.00 0.71 0.00 0.00 54.79 56.74 1x4f n ASP 74 Cb 0.23 -0.39 0.14 0.00 -0.02 0.00 0.00 41.12 41.07 1x4f n ASP 74 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1x4f h ALA 75 N -0.44 0.70 -0.82 2.24 0.00 -1.61 0.35 119.26 119.68 1x4f h ALA 75 Ca 0.06 0.24 0.02 0.00 0.00 0.00 0.00 54.91 55.23 1x4f h ALA 75 Cb 0.15 0.44 -0.04 0.00 0.00 0.00 0.00 17.79 18.33 1x4f h ALA 75 CO -0.34 -0.42 0.55 0.52 0.00 0.00 0.00 179.25 179.56 1x4f h MET 76 N 0.08 1.05 0.00 0.00 2.86 0.11 -0.73 114.93 118.31 1x4f h MET 76 Ca 0.39 -0.06 -0.03 0.00 -2.06 0.00 0.00 59.70 57.93 1x4f h MET 76 Cb 0.67 -0.24 -0.00 0.00 0.06 0.00 0.00 31.60 32.08 1x4f h MET 76 CO -0.67 0.70 -0.16 0.00 1.06 0.00 0.00 176.91 177.84 1x4f h ALA 77 N 1.50 1.20 0.11 6.32 0.00 0.38 -1.94 119.26 126.82 1x4f h ALA 77 Ca 0.31 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 55.07 1x4f h ALA 77 Cb -0.07 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.69 1x4f h ALA 77 CO -0.08 0.20 -0.05 1.98 0.00 0.00 0.00 179.25 181.30 1x4f h MET 78 N 0.00 -0.14 -0.87 0.00 4.05 -0.06 -2.46 114.93 115.45 1x4f h MET 78 Ca -0.00 0.01 0.14 0.00 -0.28 0.00 0.00 59.70 59.56 1x4f h MET 78 Cb 0.46 0.03 -0.07 0.00 -0.80 0.00 0.00 31.60 31.22 1x4f h MET 78 CO 0.02 -0.04 0.56 -0.39 0.23 0.00 0.00 176.91 177.30 1x4f h VAL 79 N -1.03 0.85 0.02 -5.77 -1.51 -1.41 -2.02 116.25 105.38 1x4f h VAL 79 Ca -0.01 -0.24 -0.00 0.00 -1.23 0.00 0.00 66.70 65.22 1x4f h VAL 79 Cb 0.16 0.10 0.00 0.00 -2.13 0.00 0.00 31.29 29.42 1x4f h VAL 79 CO 0.02 0.13 -0.01 -0.78 -1.23 0.00 0.00 177.57 175.70 1x4f h ASP 80 N 0.69 -0.02 -0.94 4.19 3.58 -1.47 -2.53 116.42 119.93 1x4f h ASP 80 Ca 0.43 -0.39 0.27 0.00 0.42 0.00 0.00 57.03 57.77 1x4f h ASP 80 Cb 0.67 0.01 -0.04 0.00 1.72 0.00 0.00 39.33 41.69 1x4f h ASP 80 CO -0.19 0.38 0.68 -0.74 -2.88 0.00 0.00 179.24 176.49 1x4f h HIS 81 N -0.43 0.00 0.00 0.28 2.76 -0.87 0.81 115.15 117.70 1x4f h HIS 81 Ca -0.00 0.00 -0.08 0.00 -2.20 0.00 0.00 60.37 58.08 1x4f h HIS 81 Cb 0.41 0.00 -0.01 0.00 1.55 0.00 0.00 27.41 29.35 1x4f h HIS 81 CO 0.06 0.00 -0.63 0.00 -1.30 0.00 0.00 177.93 176.06 1x4f h LEU 83 N 0.00 -0.15 -0.17 0.00 3.38 0.11 -3.34 115.31 115.14 1x4f h LEU 83 Ca -0.03 -0.39 -0.09 0.00 0.09 0.00 0.00 57.88 57.46 1x4f h LEU 83 Cb 1.30 0.04 -0.00 0.00 0.09 0.00 0.00 40.66 42.08 1x4f h LEU 83 CO 0.04 0.37 -0.24 0.11 0.09 0.00 0.00 178.44 178.81 1x4f h LYS 84 N -0.73 0.46 -6.19 1.13 6.56 -1.54 -3.45 116.57 112.81 1x4f h LYS 84 Ca -0.02 -0.27 -0.57 0.00 -1.06 0.00 0.00 60.65 58.73 1x4f h LYS 84 Cb 0.53 0.02 -0.18 0.00 -0.57 0.00 0.00 32.23 32.03 1x4f h LYS 84 CO 0.03 0.86 -0.79 0.15 -2.06 0.00 0.00 179.45 177.64 1x4f s LYS 85 N -4.17 1.39 -0.21 3.15 1.02 -0.97 -5.11 119.74 114.85 1x4f s LYS 85 Ca -0.14 -1.48 -0.29 0.00 0.02 0.00 0.00 55.97 54.09 1x4f s LYS 85 Cb 0.06 -1.54 -0.00 0.00 -0.52 0.00 0.00 37.83 35.82 1x4f s LYS 85 CO 0.78 0.32 1.18 0.00 -0.92 0.00 0.00 175.35 176.71 1x4f s ALA 86 N -1.96 3.64 -0.42 5.17 0.00 -1.26 -3.66 121.76 123.28 1x4f s ALA 86 Ca 0.19 0.30 -0.26 0.00 0.00 0.00 0.00 51.96 52.19 1x4f s ALA 86 Cb -0.06 -3.61 0.02 0.00 0.00 0.00 0.00 23.12 19.47 1x4f s ALA 86 CO 0.08 -1.19 0.96 -1.17 0.00 0.00 0.00 175.76 174.44 1x4f s LEU 87 N 3.47 3.95 -0.23 0.00 0.20 -1.26 -5.02 118.68 119.79 1x4f s LEU 87 Ca 0.51 0.41 -0.07 0.00 0.69 0.00 0.00 54.13 55.67 1x4f s LEU 87 Cb -0.18 -3.28 -0.03 0.00 -0.43 0.00 0.00 46.19 42.26 1x4f s LEU 87 CO 0.12 -0.98 0.06 0.26 -0.29 0.00 0.00 176.35 175.52 1x4f s TRP 88 N 3.71 3.09 -0.14 5.38 0.52 -1.26 -3.19 118.94 127.06 1x4f s TRP 88 Ca 0.39 -0.38 -0.08 0.00 0.02 0.00 0.00 56.10 56.05 1x4f s TRP 88 Cb -0.11 -2.20 -0.03 0.00 -1.15 0.00 0.00 33.47 29.99 1x4f s TRP 88 CO 0.23 -0.29 -0.16 0.35 0.02 0.00 0.00 176.95 177.10 1x4f h PHE 89 N 7.97 0.00 -1.65 -1.98 3.57 -1.87 -3.46 116.94 119.53 1x4f h PHE 89 Ca -0.38 0.00 -0.49 0.00 3.53 0.00 0.00 57.97 60.63 1x4f h PHE 89 Cb 1.17 0.00 -0.35 0.00 2.79 0.00 0.00 35.95 39.57 1x4f h PHE 89 CO 0.65 0.00 -1.01 1.04 -2.23 0.00 0.00 178.31 176.76 1x4f n GLN 90 N -4.57 0.77 -0.94 1.11 6.02 -1.26 -4.89 117.38 113.61 1x4f n GLN 90 Ca -0.07 -2.99 0.00 0.00 -0.01 0.00 0.00 57.00 53.94 1x4f n GLN 90 Cb 0.24 -1.31 0.00 0.00 1.02 0.00 0.00 30.24 30.19 1x4f n GLN 90 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1x4f n GLY 91 N 1.25 0.70 3.28 1.08 0.00 -1.26 -4.93 105.19 105.32 1x4f n GLY 91 Ca 0.19 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.96 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 -0.23 1.29 -1.10 1.61 0.52 -1.26 -5.04 118.95 114.75 1x4f s ARG 92 Ca 0.00 -1.08 -0.06 0.00 -0.52 0.00 0.00 55.73 54.07 1x4f s ARG 92 Cb 0.00 -1.51 0.04 0.00 0.52 0.00 0.00 34.95 34.00 1x4f s ARG 92 CO 0.00 0.37 2.66 0.00 0.02 0.00 0.00 175.30 178.35 1x4f n VAL 94 N 1.93 1.70 -3.45 0.00 3.14 -1.19 -4.90 118.33 115.56 1x4f n VAL 94 Ca 0.61 -0.50 -0.39 0.00 -2.96 0.00 0.00 64.34 61.11 1x4f n VAL 94 Cb 0.36 -0.34 -0.09 0.00 -1.06 0.00 0.00 33.84 32.71 1x4f n VAL 94 CO 0.00 0.00 0.00 -0.54 -6.46 0.00 0.00 176.83 169.83 1x4f s LYS 95 N -1.27 4.02 -0.24 1.45 1.02 0.07 -4.63 119.74 120.17 1x4f s LYS 95 Ca 0.62 -0.05 -0.01 0.00 0.02 0.00 0.00 55.97 56.55 1x4f s LYS 95 Cb -0.75 -3.64 0.03 0.00 -0.52 0.00 0.00 37.83 32.95 1x4f s LYS 95 CO 0.58 -0.21 -0.09 0.54 -0.92 0.00 0.00 175.35 175.26 1x4f s VAL 96 N 1.86 2.70 -0.03 3.17 0.11 -1.26 -0.66 120.40 126.29 1x4f s VAL 96 Ca 0.13 -1.06 -0.04 0.00 -2.93 0.00 0.00 61.98 58.09 1x4f s VAL 96 Cb -0.16 -2.35 0.01 0.00 -1.53 0.00 0.00 36.38 32.35 1x4f s VAL 96 CO 0.10 0.23 0.09 -1.81 -3.33 0.00 0.00 175.10 170.38 1x4f s ASP 97 N 1.30 -0.06 0.17 3.54 1.11 -0.45 -4.53 116.67 117.75 1x4f s ASP 97 Ca 0.00 0.10 -0.31 0.00 0.18 0.00 0.00 52.55 52.52 1x4f s ASP 97 Cb -0.16 0.19 -0.09 0.00 1.07 0.00 0.00 42.92 43.93 1x4f s ASP 97 CO -0.06 -0.09 1.41 -0.76 1.18 0.00 0.00 175.17 176.85 1x4f s LEU 98 N -0.23 4.38 -0.28 1.23 1.02 -1.26 -0.32 118.68 123.22 1x4f s LEU 98 Ca -0.03 2.46 -0.28 0.00 0.02 0.00 0.00 54.13 56.30 1x4f s LEU 98 Cb -0.02 -3.60 0.01 0.00 0.02 0.00 0.00 46.19 42.60 1x4f s LEU 98 CO 0.00 -0.67 1.03 -0.55 0.02 0.00 0.00 176.35 176.19 1x4f s SER 99 N 0.79 6.97 -0.28 2.29 0.15 0.77 -4.86 113.70 119.52 1x4f s SER 99 Ca 0.63 1.14 0.03 0.00 0.70 0.00 0.00 55.95 58.44 1x4f s SER 99 Cb -0.39 -2.53 0.44 0.00 -1.71 0.00 0.00 66.02 61.84 1x4f s SER 99 CO 0.35 -0.77 1.58 1.21 1.20 0.00 0.00 173.24 176.81 1x4f n GLU 100 N 6.58 1.94 0.08 5.44 0.00 -1.26 -4.31 120.64 129.10 1x4f n GLU 100 Ca 0.11 -1.96 0.00 0.00 0.00 0.00 0.00 57.16 55.31 1x4f n GLU 100 Cb 0.47 -1.78 0.00 0.00 0.00 0.00 0.00 31.44 30.12 1x4f n GLU 100 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.13 178.30 1x4f n LYS 101 N -0.50 0.00 -2.67 5.31 4.81 -1.26 -5.08 118.16 118.77 1x4f n LYS 101 Ca 0.38 0.00 -0.37 0.00 -0.87 0.00 0.00 58.31 57.45 1x4f n LYS 101 Cb 1.24 -0.27 -0.05 0.00 0.02 0.00 0.00 35.03 35.97 1x4f n LYS 101 CO 0.00 0.00 0.00 0.71 1.17 0.00 0.00 177.40 179.28 1x4f s TYR 102 N -1.86 3.49 -0.05 5.64 2.02 -1.26 -4.97 117.35 120.37 1x4f s TYR 102 Ca 0.00 1.71 0.20 0.00 -0.37 0.00 0.00 57.07 58.61 1x4f s TYR 102 Cb 0.00 -3.02 -0.31 0.00 -0.40 0.00 0.00 41.96 38.23 1x4f s TYR 102 CO 0.00 -0.19 0.39 1.17 -1.57 0.00 0.00 175.55 175.35 1x4f n LYS 103 N 0.28 0.66 -3.85 -0.62 4.81 -1.26 -4.66 118.16 113.52 1x4f n LYS 103 Ca 0.03 -0.16 -0.01 0.00 -0.87 0.00 0.00 58.31 57.30 1x4f n LYS 103 Cb 0.50 -1.49 0.01 0.00 0.02 0.00 0.00 35.03 34.07 1x4f n LYS 103 CO 0.00 0.00 0.00 -1.59 1.17 0.00 0.00 177.40 176.98 1x4f s LYS 104 N -3.28 0.90 -0.43 1.64 -2.85 -1.26 -3.70 119.74 110.74 1x4f s LYS 104 Ca -0.08 -0.56 -0.08 0.00 -1.00 0.00 0.00 55.97 54.25 1x4f s LYS 104 Cb 0.12 0.26 0.10 0.00 -2.06 0.00 0.00 37.83 36.25 1x4f s LYS 104 CO 0.84 -0.42 0.28 -0.51 0.10 0.00 0.00 175.35 175.64 1x4f s LEU 105 N -3.39 5.34 -1.47 2.77 1.43 -1.26 -4.98 118.68 117.11 1x4f s LEU 105 Ca 0.22 -1.73 -0.09 0.00 -1.03 0.00 0.00 54.13 51.49 1x4f s LEU 105 Cb -0.01 -1.96 -0.09 0.00 0.03 0.00 0.00 46.19 44.16 1x4f s LEU 105 CO 0.02 -0.59 2.87 1.33 0.23 0.00 0.00 176.35 180.21 1x4f n VAL 106 N 4.86 4.02 -4.72 -1.59 0.24 -1.26 -4.84 118.33 115.03 1x4f n VAL 106 Ca -0.08 -2.39 -0.26 0.00 -2.04 0.00 0.00 64.34 59.57 1x4f n VAL 106 Cb 0.42 -2.53 -0.17 0.00 -1.47 0.00 0.00 33.84 30.09 1x4f n VAL 106 CO 0.00 0.00 0.00 -0.55 -2.14 0.00 0.00 176.83 174.14 1x4f s SER 107 N 2.33 2.04 0.00 -1.34 0.15 -1.26 -4.98 113.70 110.64 1x4f s SER 107 Ca 0.66 -0.35 0.00 0.00 0.70 0.00 0.00 55.95 56.96 1x4f s SER 107 Cb 0.17 -0.89 0.00 0.00 -1.71 0.00 0.00 66.02 63.59 1x4f s SER 107 CO -0.05 0.07 0.00 0.61 1.20 0.00 0.00 173.24 175.07 1x4f n GLY 108 N 3.67 0.23 0.00 9.45 0.00 -1.26 -4.95 105.19 112.33 1x4f n GLY 108 Ca -0.22 -0.71 0.08 0.00 0.00 0.00 0.00 46.02 45.17 1x4f n GLY 108 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1x4f n PRO 109 N 0.00 0.42 -3.56 1.61 -0.04 -1.26 -4.74 135.00 127.43 1x4f n PRO 109 Ca 0.00 0.03 -0.20 0.00 -0.04 0.00 0.00 63.50 63.30 1x4f n PRO 109 Cb 0.00 -1.50 -0.02 0.00 -0.04 0.00 0.00 33.50 31.94 1x4f n PRO 109 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 1x4f s SER 110 N -2.13 5.54 -0.28 3.54 0.01 -1.26 -5.12 113.70 113.99 1x4f s SER 110 Ca 0.21 -0.42 -0.06 0.00 1.31 0.00 0.00 55.95 57.00 1x4f s SER 110 Cb 0.11 -0.97 0.14 0.00 0.21 0.00 0.00 66.02 65.51 1x4f s SER 110 CO 0.19 -0.47 0.58 -0.44 0.41 0.00 0.00 173.24 173.50 1x4f s SER 111 N -4.12 -0.96 0.00 2.44 0.01 -1.26 -5.16 113.70 104.65 1x4f s SER 111 Ca 0.45 1.16 0.00 0.00 1.31 0.00 0.00 55.95 58.87 1x4f s SER 111 Cb -0.07 2.02 0.00 0.00 0.21 0.00 0.00 66.02 68.17 1x4f s SER 111 CO 0.29 -0.24 0.00 0.61 0.41 0.00 0.00 173.24 174.31