#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 0.05 0.90 1.61 0.01 -1.26 -5.17 113.70 109.85 1x4f s SER 2 Ca 0.00 -0.12 -0.13 0.00 1.31 0.00 0.00 55.95 57.00 1x4f s SER 2 Cb 0.00 0.10 0.17 0.00 0.21 0.00 0.00 66.02 66.50 1x4f s SER 2 CO 0.00 -0.14 1.25 -0.44 0.41 0.00 0.00 173.24 174.32 1x4f s SER 3 N -0.57 3.53 0.08 2.44 0.01 -1.26 -4.98 113.70 112.95 1x4f s SER 3 Ca -0.06 0.28 0.00 0.00 1.31 0.00 0.00 55.95 57.47 1x4f s SER 3 Cb -0.04 -0.45 0.00 0.00 0.21 0.00 0.00 66.02 65.74 1x4f s SER 3 CO -0.00 -2.46 0.00 0.61 0.41 0.00 0.00 173.24 171.79 1x4f n GLY 4 N -3.56 -1.42 2.68 3.44 0.00 -1.26 -5.17 105.19 99.90 1x4f n GLY 4 Ca 0.14 0.54 0.14 0.00 0.00 0.00 0.00 46.02 46.84 1x4f n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1x4f n SER 5 N -3.02 -7.46 -4.66 1.61 7.64 -1.26 -4.81 113.62 101.66 1x4f n SER 5 Ca 0.00 1.12 -0.31 0.00 1.01 0.00 0.00 58.87 60.69 1x4f n SER 5 Cb 0.00 -3.14 0.17 0.00 -1.01 0.00 0.00 64.21 60.23 1x4f n SER 5 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1x4f s SER 6 N -6.17 2.79 0.54 6.43 0.15 -1.26 -5.04 113.70 111.14 1x4f s SER 6 Ca 0.00 2.04 0.00 0.00 0.70 0.00 0.00 55.95 58.69 1x4f s SER 6 Cb 0.00 -2.51 0.00 0.00 -1.71 0.00 0.00 66.02 61.80 1x4f s SER 6 CO 0.00 -3.16 0.00 0.61 1.20 0.00 0.00 173.24 171.89 1x4f n GLY 7 N 0.12 0.25 5.00 9.45 0.00 -1.26 -4.48 105.19 114.26 1x4f n GLY 7 Ca 0.10 -1.87 0.00 0.00 0.00 0.00 0.00 46.02 44.25 1x4f n GLY 7 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1x4f n LYS 8 N -0.97 0.00 -1.14 1.61 4.81 -1.26 -4.94 118.16 116.28 1x4f n LYS 8 Ca 0.00 0.00 -0.37 0.00 -0.87 0.00 0.00 58.31 57.07 1x4f n LYS 8 Cb 0.00 0.00 0.04 0.00 0.02 0.00 0.00 35.03 35.09 1x4f n LYS 8 CO 0.00 0.00 0.00 1.63 1.17 0.00 0.00 177.40 180.20 1x4f n LYS 9 N 0.00 0.05 -2.05 1.64 4.01 -1.26 -4.73 118.16 115.82 1x4f n LYS 9 Ca 0.00 0.03 -0.30 0.00 -0.51 0.00 0.00 58.31 57.53 1x4f n LYS 9 Cb 0.00 -1.22 -0.05 0.00 -0.51 0.00 0.00 35.03 33.26 1x4f n LYS 9 CO 0.00 0.00 0.00 -1.25 -1.11 0.00 0.00 177.40 175.04 1x4f s PRO 10 N -1.88 2.57 0.08 1.97 0.04 -1.26 -4.63 135.00 131.89 1x4f s PRO 10 Ca 0.52 -0.05 -0.01 0.00 0.04 0.00 0.00 61.00 61.50 1x4f s PRO 10 Cb -0.33 -4.89 -0.00 0.00 0.04 0.00 0.00 34.50 29.32 1x4f s PRO 10 CO 0.71 -3.21 -0.02 0.39 0.04 0.00 0.00 177.00 174.91 1x4f n GLU 11 N 8.94 0.03 0.00 4.56 1.02 -1.26 -5.12 120.64 128.81 1x4f n GLU 11 Ca 0.35 0.01 0.00 0.00 -0.02 0.00 0.00 57.16 57.50 1x4f n GLU 11 Cb 0.48 -0.55 0.00 0.00 -0.02 0.00 0.00 31.44 31.35 1x4f n GLU 11 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1x4f n GLY 12 N 3.38 4.97 2.54 0.62 0.00 -1.26 -5.09 105.19 110.35 1x4f n GLY 12 Ca -0.01 -1.64 -0.27 0.00 0.00 0.00 0.00 46.02 44.11 1x4f n GLY 12 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1x4f n LYS 13 N 0.00 1.55 -1.24 1.61 0.00 -1.26 -5.11 118.16 113.71 1x4f n LYS 13 Ca 0.00 -4.09 -0.31 0.00 -0.00 0.00 0.00 58.31 53.91 1x4f n LYS 13 Cb 0.00 -1.99 0.11 0.00 -0.00 0.00 0.00 35.03 33.15 1x4f n LYS 13 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.40 176.15 1x4f s PRO 14 N -1.44 1.96 0.06 -1.58 0.04 -1.26 -5.05 135.00 127.73 1x4f s PRO 14 Ca 0.33 1.07 -0.00 0.00 0.04 0.00 0.00 61.00 62.43 1x4f s PRO 14 Cb 0.07 -1.87 -0.04 0.00 0.04 0.00 0.00 34.50 32.69 1x4f s PRO 14 CO -0.12 -1.82 0.21 -0.51 0.04 0.00 0.00 177.00 174.80 1x4f s ASP 15 N -3.40 6.37 0.00 6.66 1.11 -1.26 -5.09 116.67 121.05 1x4f s ASP 15 Ca 0.62 0.29 0.00 0.00 0.18 0.00 0.00 52.55 53.64 1x4f s ASP 15 Cb -0.17 -1.97 0.00 0.00 1.07 0.00 0.00 42.92 41.85 1x4f s ASP 15 CO 0.56 0.17 0.00 1.67 1.18 0.00 0.00 175.17 178.76 1x4f n GLN 16 N 0.34 0.00 -0.68 8.23 -0.06 -1.26 -5.01 117.38 118.93 1x4f n GLN 16 Ca -0.05 0.00 -0.08 0.00 -2.00 0.00 0.00 57.00 54.87 1x4f n GLN 16 Cb 0.51 0.00 0.02 0.00 -4.06 0.00 0.00 30.24 26.71 1x4f n GLN 16 CO 0.00 0.00 0.00 0.36 -0.20 0.00 0.00 177.06 177.22 1x4f n LYS 17 N -0.04 1.37 -3.96 3.69 2.85 -1.26 -4.75 118.16 116.07 1x4f n LYS 17 Ca 0.00 -0.72 -0.31 0.00 -1.05 0.00 0.00 58.31 56.23 1x4f n LYS 17 Cb 0.00 -1.29 -0.15 0.00 -0.65 0.00 0.00 35.03 32.94 1x4f n LYS 17 CO 0.00 0.00 0.00 0.12 -0.05 0.00 0.00 177.40 177.47 1x4f s PHE 18 N -0.83 2.78 0.04 5.58 2.19 -1.26 -5.09 117.98 121.39 1x4f s PHE 18 Ca 0.15 -2.12 -0.32 0.00 0.33 0.00 0.00 56.93 54.96 1x4f s PHE 18 Cb 0.11 -1.94 -0.11 0.00 -1.31 0.00 0.00 43.02 39.78 1x4f s PHE 18 CO -0.00 -0.84 1.88 -0.40 1.83 0.00 0.00 175.22 177.69 1x4f n ASP 19 N 4.56 3.86 -4.32 6.13 5.68 -1.26 -4.98 116.55 126.22 1x4f n ASP 19 Ca -0.08 0.96 -0.31 0.00 -0.50 0.00 0.00 54.79 54.86 1x4f n ASP 19 Cb 0.43 -1.48 -0.16 0.00 -1.14 0.00 0.00 41.12 38.77 1x4f n ASP 19 CO 0.00 0.00 0.00 -1.58 -1.33 0.00 0.00 177.20 174.29 1x4f s GLN 20 N 3.60 2.07 -0.12 0.11 2.00 -1.26 -5.12 119.66 120.94 1x4f s GLN 20 Ca 0.87 -0.95 -0.16 0.00 -2.00 0.00 0.00 55.36 53.12 1x4f s GLN 20 Cb -0.54 -2.03 -0.05 0.00 0.80 0.00 0.00 33.01 31.19 1x4f s GLN 20 CO 0.43 0.55 0.40 0.15 -0.50 0.00 0.00 175.29 176.32 1x4f s LYS 21 N -0.70 4.25 -0.47 1.67 1.02 -1.26 -4.09 119.74 120.15 1x4f s LYS 21 Ca 0.10 0.31 -0.01 0.00 0.02 0.00 0.00 55.97 56.39 1x4f s LYS 21 Cb -0.10 -3.40 0.00 0.00 -0.52 0.00 0.00 37.83 33.81 1x4f s LYS 21 CO -0.01 0.26 0.09 0.94 -0.92 0.00 0.00 175.35 175.72 1x4f n GLN 22 N 3.38 -0.97 0.00 1.68 7.27 -1.26 -4.91 117.38 122.58 1x4f n GLN 22 Ca -0.10 0.27 0.00 0.00 0.07 0.00 0.00 57.00 57.24 1x4f n GLN 22 Cb 0.52 -3.93 0.00 0.00 2.41 0.00 0.00 30.24 29.24 1x4f n GLN 22 CO 0.00 0.00 0.00 0.39 0.07 0.00 0.00 177.06 177.52 1x4f n GLU 23 N -1.62 0.50 -0.03 3.69 1.02 -1.26 -4.89 120.64 118.04 1x4f n GLU 23 Ca -0.05 -0.61 -0.05 0.00 -0.02 0.00 0.00 57.16 56.43 1x4f n GLU 23 Cb 0.54 -0.61 -0.02 0.00 -0.02 0.00 0.00 31.44 31.34 1x4f n GLU 23 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 1x4f n LEU 24 N -0.09 1.56 0.00 -4.62 4.77 -1.26 -5.06 117.00 112.30 1x4f n LEU 24 Ca 0.00 0.24 0.00 0.00 -0.03 0.00 0.00 56.01 56.22 1x4f n LEU 24 Cb 0.40 -0.56 0.00 0.00 -2.33 0.00 0.00 43.42 40.93 1x4f n LEU 24 CO 0.00 -0.48 0.00 0.61 -1.33 0.00 0.00 177.39 176.19 1x4f n GLY 25 N 2.35 1.30 3.23 -0.72 0.00 -1.26 -4.87 105.19 105.22 1x4f n GLY 25 Ca -0.08 -0.92 -0.39 0.00 0.00 0.00 0.00 46.02 44.63 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 -1.34 2.47 -0.15 1.61 3.00 -1.13 -4.84 118.95 118.57 1x4f s ARG 26 Ca 0.00 -1.54 -0.03 0.00 0.00 0.00 0.00 55.73 54.17 1x4f s ARG 26 Cb 0.00 -3.71 0.05 0.00 0.00 0.00 0.00 34.95 31.29 1x4f s ARG 26 CO 0.00 -0.97 0.03 0.08 0.00 0.00 0.00 175.30 174.44 1x4f s VAL 27 N 1.35 0.39 -0.54 3.52 1.01 -1.26 -3.86 120.40 121.01 1x4f s VAL 27 Ca 0.04 -0.28 -0.28 0.00 0.00 0.00 0.00 61.98 61.45 1x4f s VAL 27 Cb -0.23 -0.81 0.03 0.00 0.00 0.00 0.00 36.38 35.37 1x4f s VAL 27 CO 0.00 -0.06 1.15 -0.63 0.00 0.00 0.00 175.10 175.56 1x4f s ILE 28 N 1.93 4.11 -0.28 2.22 -1.09 0.71 -1.16 121.20 127.64 1x4f s ILE 28 Ca 0.01 0.96 -0.28 0.00 -2.23 0.00 0.00 60.65 59.11 1x4f s ILE 28 Cb -0.15 -4.67 0.01 0.00 -1.58 0.00 0.00 42.46 36.06 1x4f s ILE 28 CO -0.07 -1.22 1.00 -2.28 -1.23 0.00 0.00 174.94 171.14 1x4f s HIS 29 N 4.72 3.24 -0.34 3.97 2.46 0.95 -1.78 115.29 128.51 1x4f s HIS 29 Ca 0.44 1.22 -0.03 0.00 0.47 0.00 0.00 55.06 57.16 1x4f s HIS 29 Cb -0.08 -3.42 0.07 0.00 -0.13 0.00 0.00 32.58 29.02 1x4f s HIS 29 CO 0.27 -0.61 0.08 -0.51 -2.47 0.00 0.00 174.74 171.51 1x4f s LEU 30 N 3.32 4.41 0.29 8.88 1.43 -0.15 -0.63 118.68 136.23 1x4f s LEU 30 Ca 0.42 -1.49 0.07 0.00 -1.03 0.00 0.00 54.13 52.10 1x4f s LEU 30 Cb -0.14 -1.78 -0.03 0.00 0.03 0.00 0.00 46.19 44.27 1x4f s LEU 30 CO 0.11 -0.36 0.22 -0.44 0.23 0.00 0.00 176.35 176.11 1x4f s SER 31 N 1.46 5.31 -0.97 2.29 0.01 0.04 -2.18 113.70 119.66 1x4f s SER 31 Ca -0.00 -0.41 -0.04 0.00 1.31 0.00 0.00 55.95 56.81 1x4f s SER 31 Cb -0.21 -1.14 -0.04 0.00 0.21 0.00 0.00 66.02 64.84 1x4f s SER 31 CO -0.01 -0.19 0.84 -3.20 0.41 0.00 0.00 173.24 171.08 1x4f n ASN 32 N -1.25 -4.97 -4.93 2.44 5.15 -1.26 -0.81 115.26 109.63 1x4f n ASN 32 Ca -0.05 -0.61 -0.27 0.00 -0.60 0.00 0.00 54.58 53.05 1x4f n ASN 32 Cb 0.59 -4.66 -0.03 0.00 -0.53 0.00 0.00 39.78 35.15 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 -5.33 4.27 0.00 1.20 1.43 -1.10 -3.74 118.68 115.41 1x4f s LEU 33 Ca 0.29 0.33 0.00 0.00 -1.03 0.00 0.00 54.13 53.72 1x4f s LEU 33 Cb -0.04 -3.08 0.00 0.00 0.03 0.00 0.00 46.19 43.10 1x4f s LEU 33 CO 0.65 0.00 0.00 -0.81 0.23 0.00 0.00 176.35 176.43 1x4f n PRO 34 N -0.54 0.23 -2.67 1.29 -0.04 -1.26 -4.84 135.00 127.16 1x4f n PRO 34 Ca -0.05 0.00 -0.04 0.00 -0.04 0.00 0.00 63.50 63.36 1x4f n PRO 34 Cb 0.54 0.00 0.10 0.00 -0.04 0.00 0.00 33.50 34.09 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 -0.91 -1.22 0.54 -0.00 -1.26 -4.94 115.22 106.16 1x4f n HIS 35 Ca 0.00 -1.02 -0.00 0.00 0.46 0.00 0.00 57.72 57.16 1x4f n HIS 35 Cb 0.00 1.27 0.23 0.00 -0.12 0.00 0.00 29.99 31.37 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 0.32 3.30 -1.17 0.26 7.64 -1.26 -4.92 113.62 117.78 1x4f n SER 36 Ca -0.06 -3.41 -0.04 0.00 1.01 0.00 0.00 58.87 56.36 1x4f n SER 36 Cb 0.74 -0.62 0.02 0.00 -1.01 0.00 0.00 64.21 63.33 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 -0.81 0.60 3.91 0.23 0.00 -1.26 -5.05 105.19 102.80 1x4f n GLY 37 Ca 0.31 -0.47 -0.28 0.00 0.00 0.00 0.00 46.02 45.58 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 -3.06 3.52 0.34 1.61 1.13 -1.26 -5.07 117.35 114.54 1x4f s TYR 38 Ca 0.10 0.75 -0.18 0.00 -1.41 0.00 0.00 57.07 56.33 1x4f s TYR 38 Cb -0.04 -2.23 -0.09 0.00 -1.10 0.00 0.00 41.96 38.50 1x4f s TYR 38 CO 0.14 -0.09 0.81 -1.54 -2.51 0.00 0.00 175.55 172.36 1x4f s SER 39 N -3.72 6.90 0.29 -0.18 1.04 -1.26 -4.96 113.70 111.81 1x4f s SER 39 Ca 0.46 1.45 0.03 0.00 0.48 0.00 0.00 55.95 58.37 1x4f s SER 39 Cb -0.10 -2.44 0.70 0.00 0.10 0.00 0.00 66.02 64.28 1x4f s SER 39 CO 0.38 -0.20 1.69 -2.24 0.98 0.00 0.00 173.24 173.85 1x4f h ASP 40 N 2.41 0.28 -0.84 7.02 2.03 -2.01 0.62 116.42 125.94 1x4f h ASP 40 Ca -0.48 0.16 0.21 0.00 -0.73 0.00 0.00 57.03 56.18 1x4f h ASP 40 Cb 1.18 0.15 -0.13 0.00 -0.83 0.00 0.00 39.33 39.69 1x4f h ASP 40 CO 0.64 -0.01 0.20 0.28 -1.03 0.00 0.00 179.24 179.32 1x4f h SER 41 N 0.38 -0.04 -0.77 4.15 0.02 -1.98 0.73 113.55 116.04 1x4f h SER 41 Ca 0.54 0.19 0.21 0.00 -0.84 0.00 0.00 61.79 61.89 1x4f h SER 41 Cb 1.02 0.26 -0.04 0.00 0.14 0.00 0.00 62.40 63.79 1x4f h SER 41 CO -0.53 -0.13 0.54 0.00 -1.14 0.00 0.00 176.83 175.57 1x4f h ALA 42 N 1.74 2.58 0.00 3.77 0.00 -1.25 0.49 119.26 126.59 1x4f h ALA 42 Ca 0.51 -0.02 -0.09 0.00 0.00 0.00 0.00 54.91 55.31 1x4f h ALA 42 Cb 0.98 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.79 1x4f h ALA 42 CO -0.63 -0.80 -0.61 0.28 0.00 0.00 0.00 179.25 177.49 1x4f h VAL 43 N 0.10 0.58 0.00 0.00 2.07 0.38 -3.24 116.25 116.14 1x4f h VAL 43 Ca 0.37 -1.87 0.00 0.00 0.82 0.00 0.00 66.70 66.03 1x4f h VAL 43 Cb 1.34 2.21 0.00 0.00 -1.52 0.00 0.00 31.29 33.32 1x4f h VAL 43 CO -0.04 0.33 -0.67 0.18 0.02 0.00 0.00 177.57 177.38 1x4f n LEU 44 N -3.10 0.60 0.25 2.57 4.77 0.14 -3.96 117.00 118.27 1x4f n LEU 44 Ca 0.00 0.06 0.14 0.00 -0.03 0.00 0.00 56.01 56.18 1x4f n LEU 44 Cb 0.70 -0.19 0.81 0.00 -2.33 0.00 0.00 43.42 42.42 1x4f n LEU 44 CO 0.40 0.05 1.12 0.11 -1.33 0.00 0.00 177.39 177.74 1x4f h LYS 45 N 0.00 0.00 -0.00 3.23 1.57 -0.54 0.37 116.57 121.20 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 0.63 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.94 1x4f h LYS 45 CO 0.00 0.00 -0.15 1.47 -0.57 0.00 0.00 179.45 180.20 1x4f n LEU 46 N -4.05 0.27 0.00 2.94 -0.00 -1.25 -3.46 117.00 111.44 1x4f n LEU 46 Ca -0.01 0.20 0.00 0.00 -0.00 0.00 0.00 56.01 56.20 1x4f n LEU 46 Cb 0.16 -0.31 0.00 0.00 -0.00 0.00 0.00 43.42 43.27 1x4f n LEU 46 CO 0.30 0.06 0.32 0.00 -0.00 0.00 0.00 177.39 178.06 1x4f n ALA 47 N -1.29 2.03 0.17 1.47 0.00 0.80 -4.72 120.51 118.98 1x4f n ALA 47 Ca 0.10 -0.64 -0.08 0.00 0.00 0.00 0.00 53.44 52.82 1x4f n ALA 47 Cb 0.31 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.72 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 -0.48 0.00 0.00 5.08 -0.48 -2.74 114.58 115.95 1x4f h GLU 48 Ca 0.00 0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.39 1x4f h GLU 48 Cb 0.28 0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.64 1x4f h GLU 48 CO 0.00 -0.32 0.00 -0.35 -1.00 0.00 0.00 179.01 177.34 1x4f n PRO 49 N -4.81 0.49 -0.10 2.33 -0.04 -1.26 -2.55 135.00 129.06 1x4f n PRO 49 Ca -0.06 0.00 -0.16 0.00 -0.04 0.00 0.00 63.50 63.24 1x4f n PRO 49 Cb 0.20 -1.44 -0.13 0.00 -0.04 0.00 0.00 33.50 32.08 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 -0.94 0.24 -3.58 0.54 4.02 -1.22 -5.08 117.16 111.15 1x4f n TYR 50 Ca 0.10 0.06 0.02 0.00 -0.01 0.00 0.00 57.90 58.08 1x4f n TYR 50 Cb 0.05 -1.04 -0.01 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 -6.07 -0.43 -0.05 2.72 0.00 -1.04 -4.37 107.32 98.09 1x4f s GLY 51 Ca -0.26 1.22 -0.30 0.00 0.00 0.00 0.00 44.72 45.39 1x4f s GLY 51 CO 0.69 0.30 1.57 0.54 0.00 0.00 0.00 173.10 176.19 1x4f s LYS 52 N -2.01 4.20 -0.77 2.90 1.02 -1.26 -4.41 119.74 119.41 1x4f s LYS 52 Ca 0.14 2.10 -0.26 0.00 0.02 0.00 0.00 55.97 57.98 1x4f s LYS 52 Cb 0.06 -3.86 -0.01 0.00 -0.52 0.00 0.00 37.83 33.50 1x4f s LYS 52 CO -0.06 -0.78 1.71 0.42 -0.92 0.00 0.00 175.35 175.72 1x4f s ILE 53 N 3.60 3.53 -0.01 2.17 1.01 -1.26 -0.09 121.20 130.14 1x4f s ILE 53 Ca 0.70 -0.05 0.21 0.00 0.00 0.00 0.00 60.65 61.51 1x4f s ILE 53 Cb -0.32 -4.32 0.19 0.00 0.01 0.00 0.00 42.46 38.02 1x4f s ILE 53 CO 0.27 -1.26 1.68 0.11 0.00 0.00 0.00 174.94 175.74 1x4f h LYS 54 N 12.24 0.00 -1.67 2.79 6.56 -1.67 -3.47 116.57 131.35 1x4f h LYS 54 Ca -0.10 0.00 0.12 0.00 -1.06 0.00 0.00 60.65 59.60 1x4f h LYS 54 Cb 1.08 0.00 -0.21 0.00 -0.57 0.00 0.00 32.23 32.52 1x4f h LYS 54 CO 1.26 0.30 0.59 1.21 -2.06 0.00 0.00 179.45 180.74 1x4f s ASN 55 N -6.28 -0.32 0.01 0.86 2.47 -1.16 -5.02 114.94 105.50 1x4f s ASN 55 Ca 0.02 0.25 -0.14 0.00 0.42 0.00 0.00 52.86 53.41 1x4f s ASN 55 Cb 0.09 0.29 0.02 0.00 -1.45 0.00 0.00 41.25 40.19 1x4f s ASN 55 CO 0.67 -0.37 0.29 -0.72 -3.72 0.00 0.00 177.10 173.25 1x4f s TYR 56 N -1.68 -0.13 -0.09 0.43 1.13 -1.26 0.03 117.35 115.78 1x4f s TYR 56 Ca 0.02 0.13 -0.01 0.00 -1.41 0.00 0.00 57.07 55.80 1x4f s TYR 56 Cb -0.01 0.08 0.03 0.00 -1.10 0.00 0.00 41.96 40.96 1x4f s TYR 56 CO -0.02 -0.42 -0.03 0.42 -2.51 0.00 0.00 175.55 173.00 1x4f s ILE 57 N -1.72 0.61 -0.50 -3.49 -1.09 0.13 -4.96 121.20 110.19 1x4f s ILE 57 Ca -0.11 -0.03 -0.06 0.00 -2.23 0.00 0.00 60.65 58.22 1x4f s ILE 57 Cb -0.04 -0.72 0.13 0.00 -1.58 0.00 0.00 42.46 40.25 1x4f s ILE 57 CO 0.02 0.29 0.34 -0.76 -1.23 0.00 0.00 174.94 173.60 1x4f s LEU 58 N 1.88 5.52 -0.24 2.97 2.01 -1.26 -0.77 118.68 128.78 1x4f s LEU 58 Ca 0.05 -2.18 -0.14 0.00 0.01 0.00 0.00 54.13 51.87 1x4f s LEU 58 Cb -0.12 -1.93 -0.04 0.00 0.01 0.00 0.00 46.19 44.11 1x4f s LEU 58 CO -0.06 -0.57 0.31 -0.04 1.01 0.00 0.00 176.35 176.99 1x4f s MET 59 N 0.94 4.08 0.25 1.70 -1.94 0.41 -4.95 119.30 119.79 1x4f s MET 59 Ca 0.09 -0.02 0.24 0.00 -1.71 0.00 0.00 55.69 54.29 1x4f s MET 59 Cb -0.23 -3.58 0.42 0.00 2.01 0.00 0.00 34.83 33.45 1x4f s MET 59 CO -0.03 -0.09 1.49 0.07 -0.01 0.00 0.00 175.02 176.45 1x4f h ARG 60 N 7.73 0.00 0.00 2.03 0.11 -1.96 -2.00 114.38 120.29 1x4f h ARG 60 Ca -0.35 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.73 1x4f h ARG 60 Cb 1.17 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.25 1x4f h ARG 60 CO 0.66 0.00 0.00 -1.33 0.10 0.00 0.00 179.97 179.40 1x4f n MET 61 N -2.53 0.00 -0.96 0.08 2.81 -1.26 -3.00 117.12 112.26 1x4f n MET 61 Ca 0.04 0.38 -0.11 0.00 -1.81 0.00 0.00 57.70 56.20 1x4f n MET 61 Cb 0.48 -0.88 0.21 0.00 -0.71 0.00 0.00 33.22 32.32 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 -0.77 2.27 -3.59 0.03 5.02 -1.26 -4.91 118.16 114.94 1x4f n LYS 62 Ca 0.00 -3.09 -0.23 0.00 -2.02 0.00 0.00 58.31 52.96 1x4f n LYS 62 Cb 0.00 -1.99 0.08 0.00 -0.02 0.00 0.00 35.03 33.10 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 -0.99 -5.73 -4.72 4.39 7.64 -1.16 -4.69 113.62 108.36 1x4f n SER 63 Ca 0.43 -0.56 -0.25 0.00 1.01 0.00 0.00 58.87 59.49 1x4f n SER 63 Cb 1.29 -4.99 -0.07 0.00 -1.01 0.00 0.00 64.21 59.44 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 -6.21 2.59 -0.02 1.43 -0.21 -0.75 -2.70 119.66 113.79 1x4f s GLN 64 Ca 0.51 -1.09 -0.21 0.00 0.02 0.00 0.00 55.36 54.59 1x4f s GLN 64 Cb -0.23 -2.43 0.04 0.00 1.00 0.00 0.00 33.01 31.40 1x4f s GLN 64 CO 0.74 0.44 0.46 0.00 -2.12 0.00 0.00 175.29 174.81 1x4f s ALA 65 N -1.89 -1.18 -0.16 6.09 0.00 -0.93 -0.45 121.76 123.25 1x4f s ALA 65 Ca 0.30 0.68 -0.01 0.00 0.00 0.00 0.00 51.96 52.93 1x4f s ALA 65 Cb -0.09 0.09 0.04 0.00 0.00 0.00 0.00 23.12 23.17 1x4f s ALA 65 CO 0.21 -0.33 -0.03 -0.06 0.00 0.00 0.00 175.76 175.55 1x4f s PHE 66 N -1.46 1.43 -0.26 0.00 0.40 0.05 -0.98 117.98 117.16 1x4f s PHE 66 Ca -0.11 -0.91 -0.06 0.00 -0.60 0.00 0.00 56.93 55.24 1x4f s PHE 66 Cb -0.03 -1.19 -0.01 0.00 0.51 0.00 0.00 43.02 42.31 1x4f s PHE 66 CO 0.05 -0.57 0.04 0.42 0.70 0.00 0.00 175.22 175.85 1x4f s ILE 67 N 1.72 3.88 -0.55 0.64 1.01 -0.73 0.23 121.20 127.40 1x4f s ILE 67 Ca 0.01 -0.46 -0.22 0.00 0.00 0.00 0.00 60.65 59.98 1x4f s ILE 67 Cb -0.15 -2.87 0.05 0.00 0.01 0.00 0.00 42.46 39.51 1x4f s ILE 67 CO -0.07 0.28 0.80 -0.70 0.00 0.00 0.00 174.94 175.24 1x4f s GLU 68 N 1.53 3.20 1.10 2.79 2.12 0.10 -0.21 118.70 129.34 1x4f s GLU 68 Ca 0.05 -0.65 -0.13 0.00 0.36 0.00 0.00 54.97 54.61 1x4f s GLU 68 Cb -0.16 -4.10 0.25 0.00 0.26 0.00 0.00 34.13 30.38 1x4f s GLU 68 CO 0.01 -1.42 1.05 -1.64 -0.54 0.00 0.00 175.26 172.72 1x4f s MET 69 N 3.35 -0.40 0.07 4.30 -1.94 -1.25 -2.17 119.30 121.26 1x4f s MET 69 Ca 0.22 0.73 -0.17 0.00 -1.71 0.00 0.00 55.69 54.76 1x4f s MET 69 Cb -0.16 -1.62 -0.13 0.00 2.01 0.00 0.00 34.83 34.92 1x4f s MET 69 CO 0.14 -3.34 1.34 1.49 -0.01 0.00 0.00 175.02 174.64 1x4f h GLU 70 N -2.34 0.57 -4.93 2.03 4.81 -0.78 -3.41 114.58 110.53 1x4f h GLU 70 Ca -0.59 -0.36 -0.35 0.00 -0.13 0.00 0.00 59.36 57.94 1x4f h GLU 70 Cb 1.33 0.04 -0.14 0.00 0.63 0.00 0.00 28.75 30.61 1x4f h GLU 70 CO 0.53 0.97 -0.63 0.95 -0.73 0.00 0.00 179.01 180.09 1x4f s THR 71 N -4.10 0.73 0.17 0.32 -4.23 -1.26 -5.01 115.64 102.26 1x4f s THR 71 Ca -0.13 -2.00 -0.10 0.00 -1.18 0.00 0.00 61.69 58.28 1x4f s THR 71 Cb 0.07 -2.47 0.05 0.00 1.34 0.00 0.00 72.50 71.49 1x4f s THR 71 CO 0.81 -0.18 1.63 -0.09 -0.54 0.00 0.00 174.62 176.26 1x4f h ARG 72 N 2.45 1.03 -0.88 3.99 2.43 -1.99 -2.92 114.38 118.49 1x4f h ARG 72 Ca -0.38 -0.33 0.24 0.00 -0.81 0.00 0.00 59.98 58.70 1x4f h ARG 72 Cb 1.23 -0.09 -0.14 0.00 -0.42 0.00 0.00 29.97 30.55 1x4f h ARG 72 CO 0.63 1.01 0.27 0.93 -1.51 0.00 0.00 179.97 181.30 1x4f h GLU 73 N 0.92 0.23 0.07 0.20 4.39 -1.96 0.52 114.58 118.95 1x4f h GLU 73 Ca 0.17 -0.01 -0.00 0.00 0.34 0.00 0.00 59.36 59.85 1x4f h GLU 73 Cb 0.55 -0.05 0.00 0.00 -0.10 0.00 0.00 28.75 29.15 1x4f h GLU 73 CO 0.03 0.15 -0.03 -0.44 -1.16 0.00 0.00 179.01 177.56 1x4f h ASP 74 N 0.24 -0.08 -0.83 1.42 3.32 -1.73 -1.21 116.42 117.54 1x4f h ASP 74 Ca 0.56 0.00 0.32 0.00 0.02 0.00 0.00 57.03 57.93 1x4f h ASP 74 Cb 1.13 0.02 -0.15 0.00 0.22 0.00 0.00 39.33 40.55 1x4f h ASP 74 CO -0.63 -0.01 0.34 0.00 -1.72 0.00 0.00 179.24 177.22 1x4f n ALA 75 N -2.12 0.75 -0.03 3.45 0.00 -1.06 0.16 120.51 121.66 1x4f n ALA 75 Ca -0.01 0.86 -0.16 0.00 0.00 0.00 0.00 53.44 54.13 1x4f n ALA 75 Cb 0.04 -0.80 -0.09 0.00 0.00 0.00 0.00 19.45 18.60 1x4f n ALA 75 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 177.50 178.02 1x4f h MET 76 N 0.00 0.47 -0.30 0.00 2.86 -0.97 -2.90 114.93 114.10 1x4f h MET 76 Ca 0.66 -0.39 0.03 0.00 -2.06 0.00 0.00 59.70 57.94 1x4f h MET 76 Cb 1.67 0.08 -0.02 0.00 0.06 0.00 0.00 31.60 33.39 1x4f h MET 76 CO -0.68 1.02 0.20 0.00 1.06 0.00 0.00 176.91 178.52 1x4f h ALA 77 N 0.45 1.95 0.41 6.32 0.00 0.29 -0.33 119.26 128.35 1x4f h ALA 77 Ca -0.03 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.84 1x4f h ALA 77 Cb 1.12 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.84 1x4f h ALA 77 CO 0.10 0.01 -0.20 1.98 0.00 0.00 0.00 179.25 181.14 1x4f h MET 78 N 0.27 -0.54 -0.28 0.00 4.05 -0.79 -1.89 114.93 115.74 1x4f h MET 78 Ca 0.12 0.04 0.07 0.00 -0.28 0.00 0.00 59.70 59.65 1x4f h MET 78 Cb 0.17 0.12 -0.01 0.00 -0.80 0.00 0.00 31.60 31.08 1x4f h MET 78 CO -0.02 -0.27 0.20 -0.39 0.23 0.00 0.00 176.91 176.66 1x4f h VAL 79 N -1.06 0.90 0.09 -5.77 -1.51 -1.31 -2.40 116.25 105.19 1x4f h VAL 79 Ca -0.06 -0.03 -0.00 0.00 -1.23 0.00 0.00 66.70 65.38 1x4f h VAL 79 Cb 0.52 0.81 0.00 0.00 -2.13 0.00 0.00 31.29 30.49 1x4f h VAL 79 CO 0.09 0.01 -0.04 -0.78 -1.23 0.00 0.00 177.57 175.62 1x4f h ASP 80 N 0.08 -0.10 0.00 4.19 1.82 -1.06 -2.86 116.42 118.48 1x4f h ASP 80 Ca 0.13 -0.40 0.00 0.00 -0.39 0.00 0.00 57.03 56.37 1x4f h ASP 80 Cb 0.42 0.03 0.00 0.00 0.68 0.00 0.00 39.33 40.46 1x4f h ASP 80 CO -0.01 0.37 0.28 -0.74 -1.61 0.00 0.00 179.24 177.53 1x4f h HIS 81 N -0.61 0.00 0.01 0.28 2.76 -0.83 0.37 115.15 117.13 1x4f h HIS 81 Ca -0.01 0.00 -0.27 0.00 -2.20 0.00 0.00 60.37 57.89 1x4f h HIS 81 Cb 0.50 0.00 -0.04 0.00 1.55 0.00 0.00 27.41 29.42 1x4f h HIS 81 CO 0.08 0.00 -1.46 0.00 -1.30 0.00 0.00 177.93 175.25 1x4f h LEU 83 N 0.01 -0.38 -0.31 0.00 3.38 -0.05 -3.29 115.31 114.67 1x4f h LEU 83 Ca -0.19 -0.15 -0.06 0.00 0.09 0.00 0.00 57.88 57.56 1x4f h LEU 83 Cb 1.93 0.10 -0.01 0.00 0.09 0.00 0.00 40.66 42.77 1x4f h LEU 83 CO 0.10 -0.03 -0.06 0.11 0.09 0.00 0.00 178.44 178.66 1x4f h LYS 84 N -0.78 0.58 -6.27 1.13 6.56 -1.67 -3.44 116.57 112.67 1x4f h LYS 84 Ca -0.05 -0.22 -0.60 0.00 -1.06 0.00 0.00 60.65 58.73 1x4f h LYS 84 Cb 0.51 -0.04 -0.24 0.00 -0.57 0.00 0.00 32.23 31.90 1x4f h LYS 84 CO 0.08 0.76 -0.84 0.15 -2.06 0.00 0.00 179.45 177.54 1x4f s LYS 85 N -4.81 1.32 -0.27 3.15 -0.14 -1.07 -5.10 119.74 112.83 1x4f s LYS 85 Ca -0.13 -1.09 -0.29 0.00 -1.36 0.00 0.00 55.97 53.10 1x4f s LYS 85 Cb 0.08 -1.55 -0.00 0.00 -1.68 0.00 0.00 37.83 34.68 1x4f s LYS 85 CO 0.78 0.38 1.33 0.00 -0.76 0.00 0.00 175.35 177.08 1x4f s ALA 86 N -0.97 3.41 -0.32 5.17 0.00 -1.25 -3.59 121.76 124.21 1x4f s ALA 86 Ca 0.08 0.21 -0.29 0.00 0.00 0.00 0.00 51.96 51.96 1x4f s ALA 86 Cb -0.09 -3.75 0.00 0.00 0.00 0.00 0.00 23.12 19.27 1x4f s ALA 86 CO 0.03 -1.68 1.31 -1.17 0.00 0.00 0.00 175.76 174.26 1x4f s LEU 87 N 4.29 3.84 -0.21 0.00 0.20 -1.26 -5.00 118.68 120.54 1x4f s LEU 87 Ca 0.58 1.14 -0.06 0.00 0.69 0.00 0.00 54.13 56.48 1x4f s LEU 87 Cb -0.18 -3.54 -0.02 0.00 -0.43 0.00 0.00 46.19 42.01 1x4f s LEU 87 CO 0.22 -1.13 0.02 0.26 -0.29 0.00 0.00 176.35 175.43 1x4f s TRP 88 N 4.50 3.05 -0.22 5.38 0.52 -1.26 -3.37 118.94 127.55 1x4f s TRP 88 Ca 0.57 -0.47 -0.04 0.00 0.02 0.00 0.00 56.10 56.18 1x4f s TRP 88 Cb -0.16 -2.13 -0.01 0.00 -1.15 0.00 0.00 33.47 30.03 1x4f s TRP 88 CO 0.24 -0.28 -0.05 0.12 0.02 0.00 0.00 176.95 177.00 1x4f s PHE 89 N 1.17 2.95 -0.86 -1.98 5.36 0.74 -4.59 117.98 120.78 1x4f s PHE 89 Ca 0.03 -0.97 0.00 0.00 -0.96 0.00 0.00 56.93 55.04 1x4f s PHE 89 Cb -0.14 -2.09 0.00 0.00 -0.34 0.00 0.00 43.02 40.44 1x4f s PHE 89 CO 0.02 -0.56 0.00 0.00 -1.46 0.00 0.00 175.22 173.22 1x4f n GLN 90 N 4.78 -1.25 -0.22 10.12 10.64 -1.26 0.31 117.38 140.49 1x4f n GLN 90 Ca -0.18 0.49 0.00 0.00 -1.83 0.00 0.00 57.00 55.48 1x4f n GLN 90 Cb 0.51 -4.59 0.00 0.00 -0.86 0.00 0.00 30.24 25.29 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 -0.12 1.63 2.92 2.61 0.00 -1.26 -5.11 105.19 105.86 1x4f n GLY 91 Ca -0.08 -0.09 -0.19 0.00 0.00 0.00 0.00 46.02 45.66 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 -1.12 0.71 -0.11 1.61 1.81 0.15 -5.03 118.95 116.97 1x4f s ARG 92 Ca 0.00 -0.14 -0.05 0.00 -1.72 0.00 0.00 55.73 53.82 1x4f s ARG 92 Cb 0.00 -0.72 -0.22 0.00 -0.45 0.00 0.00 34.95 33.57 1x4f s ARG 92 CO 0.00 -0.01 3.10 0.00 -0.68 0.00 0.00 175.30 177.71 1x4f n VAL 94 N 2.67 0.37 -2.80 0.00 3.14 -1.22 -4.91 118.33 115.59 1x4f n VAL 94 Ca 0.39 -0.07 -0.42 0.00 -2.96 0.00 0.00 64.34 61.28 1x4f n VAL 94 Cb 0.73 -1.97 -0.03 0.00 -1.06 0.00 0.00 33.84 31.51 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 2.79 4.13 -0.37 1.45 2.20 0.01 -4.65 119.74 125.29 1x4f s LYS 95 Ca 0.84 0.98 -0.07 0.00 -0.36 0.00 0.00 55.97 57.37 1x4f s LYS 95 Cb -0.56 -3.68 0.06 0.00 -1.51 0.00 0.00 37.83 32.13 1x4f s LYS 95 CO 0.41 -0.66 0.16 0.54 -0.36 0.00 0.00 175.35 175.44 1x4f s VAL 96 N 3.11 3.84 0.01 4.02 0.11 -1.25 -0.78 120.40 129.46 1x4f s VAL 96 Ca 0.38 -1.34 0.02 0.00 -2.93 0.00 0.00 61.98 58.11 1x4f s VAL 96 Cb -0.14 -3.29 -0.01 0.00 -1.53 0.00 0.00 36.38 31.41 1x4f s VAL 96 CO 0.10 -0.34 -0.06 -1.81 -3.33 0.00 0.00 175.10 169.65 1x4f s ASP 97 N 1.68 0.67 0.15 3.54 1.11 0.19 -4.33 116.67 119.69 1x4f s ASP 97 Ca 0.01 -0.23 -0.31 0.00 0.18 0.00 0.00 52.55 52.19 1x4f s ASP 97 Cb -0.21 -0.03 -0.09 0.00 1.07 0.00 0.00 42.92 43.65 1x4f s ASP 97 CO 0.02 -0.02 1.47 -0.76 1.18 0.00 0.00 175.17 177.06 1x4f s LEU 98 N -0.57 4.37 0.42 1.23 1.02 -1.26 -0.03 118.68 123.86 1x4f s LEU 98 Ca -0.02 2.49 -0.06 0.00 0.02 0.00 0.00 54.13 56.56 1x4f s LEU 98 Cb -0.04 -3.59 -0.05 0.00 0.02 0.00 0.00 46.19 42.53 1x4f s LEU 98 CO -0.00 -0.73 0.73 -0.55 0.02 0.00 0.00 176.35 175.82 1x4f s SER 99 N 1.04 6.37 -0.22 2.29 0.15 -0.31 -4.84 113.70 118.17 1x4f s SER 99 Ca 0.66 0.92 -0.01 0.00 0.70 0.00 0.00 55.95 58.23 1x4f s SER 99 Cb -0.40 -2.24 -0.19 0.00 -1.71 0.00 0.00 66.02 61.47 1x4f s SER 99 CO 0.32 -0.45 -0.08 1.21 1.20 0.00 0.00 173.24 175.44 1x4f n GLU 100 N -1.76 0.67 -0.71 5.44 2.13 -1.26 -4.62 120.64 120.53 1x4f n GLU 100 Ca 0.00 0.19 -0.11 0.00 0.66 0.00 0.00 57.16 57.90 1x4f n GLU 100 Cb 0.55 -1.57 0.08 0.00 0.27 0.00 0.00 31.44 30.77 1x4f n GLU 100 CO 0.00 0.00 0.00 0.36 -0.41 0.00 0.00 177.13 177.08 1x4f n LYS 101 N -3.38 -0.56 0.00 5.31 2.85 -1.26 -4.41 118.16 116.72 1x4f n LYS 101 Ca -0.43 -0.78 0.00 0.00 -1.05 0.00 0.00 58.31 56.06 1x4f n LYS 101 Cb 1.00 -0.53 0.00 0.00 -0.65 0.00 0.00 35.03 34.85 1x4f n LYS 101 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 177.40 178.01 1x4f n TYR 102 N -2.74 0.00 0.00 5.58 4.01 -1.26 -4.76 117.16 117.99 1x4f n TYR 102 Ca 0.06 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.80 1x4f n TYR 102 Cb 0.22 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.25 1x4f n TYR 102 CO 0.00 0.00 0.00 1.17 -0.46 0.00 0.00 176.86 177.57 1x4f n LYS 103 N 0.00 0.00 -3.87 -0.72 4.81 -1.26 -4.79 118.16 112.33 1x4f n LYS 103 Ca 0.00 0.00 -0.12 0.00 -0.87 0.00 0.00 58.31 57.32 1x4f n LYS 103 Cb 0.00 0.00 -0.13 0.00 0.02 0.00 0.00 35.03 34.92 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 0.00 0.11 -0.29 1.64 -2.85 -1.26 -2.85 119.74 114.24 1x4f s LYS 104 Ca 0.00 -0.03 -0.19 0.00 -1.00 0.00 0.00 55.97 54.75 1x4f s LYS 104 Cb 0.00 0.05 -0.01 0.00 -2.06 0.00 0.00 37.83 35.80 1x4f s LYS 104 CO 0.00 -0.02 0.58 -0.51 0.10 0.00 0.00 175.35 175.50 1x4f s LEU 105 N -0.21 4.14 0.00 2.77 1.43 -1.26 -4.70 118.68 120.85 1x4f s LEU 105 Ca -0.03 0.41 0.00 0.00 -1.03 0.00 0.00 54.13 53.48 1x4f s LEU 105 Cb -0.02 -2.74 0.00 0.00 0.03 0.00 0.00 46.19 43.46 1x4f s LEU 105 CO 0.00 -0.41 0.00 0.55 0.23 0.00 0.00 176.35 176.72 1x4f n VAL 106 N 5.31 0.00 -0.25 -1.59 3.14 -1.26 -4.98 118.33 118.71 1x4f n VAL 106 Ca -0.02 0.00 0.03 0.00 -2.96 0.00 0.00 64.34 61.39 1x4f n VAL 106 Cb 0.49 0.00 -0.01 0.00 -1.06 0.00 0.00 33.84 33.26 1x4f n VAL 106 CO 0.00 0.00 0.00 -0.24 -6.46 0.00 0.00 176.83 170.13 1x4f n SER 107 N -1.68 -1.40 0.00 6.55 2.88 -1.26 -5.12 113.62 113.59 1x4f n SER 107 Ca 0.00 0.22 0.00 0.00 -1.33 0.00 0.00 58.87 57.76 1x4f n SER 107 Cb 0.00 -0.83 0.00 0.00 -0.75 0.00 0.00 64.21 62.63 1x4f n SER 107 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1x4f n GLY 108 N -2.56 -0.68 3.77 0.46 0.00 -1.26 -5.14 105.19 99.79 1x4f n GLY 108 Ca -0.01 -1.37 -0.34 0.00 0.00 0.00 0.00 46.02 44.30 1x4f n GLY 108 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1x4f s PRO 109 N -2.00 3.04 0.27 1.61 0.04 -1.26 -4.95 135.00 131.75 1x4f s PRO 109 Ca 0.00 1.48 -0.30 0.00 0.04 0.00 0.00 61.00 62.22 1x4f s PRO 109 Cb 0.00 -1.97 -0.14 0.00 0.04 0.00 0.00 34.50 32.43 1x4f s PRO 109 CO 0.00 -1.07 1.21 0.43 0.04 0.00 0.00 177.00 177.61 1x4f n SER 110 N -1.94 2.06 0.02 6.66 7.64 -1.26 -4.66 113.62 122.14 1x4f n SER 110 Ca 0.11 1.17 0.00 0.00 1.01 0.00 0.00 58.87 61.16 1x4f n SER 110 Cb 0.52 -1.36 0.00 0.00 -1.01 0.00 0.00 64.21 62.35 1x4f n SER 110 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1x4f n SER 111 N 1.51 -0.33 0.00 6.43 2.88 -1.26 -5.32 113.62 117.53 1x4f n SER 111 Ca 0.10 0.34 0.00 0.00 -1.33 0.00 0.00 58.87 57.97 1x4f n SER 111 Cb 0.32 0.60 0.00 0.00 -0.75 0.00 0.00 64.21 64.37 1x4f n SER 111 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42