#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x6d s SER 2 N 0.00 -0.08 -0.04 1.61 0.15 -1.26 -5.19 113.70 108.90 1x6d s SER 2 Ca 0.00 0.12 -0.31 0.00 0.70 0.00 0.00 55.95 56.47 1x6d s SER 2 Cb 0.00 0.11 0.11 0.00 -1.71 0.00 0.00 66.02 64.53 1x6d s SER 2 CO 0.00 -0.05 1.10 -0.94 1.20 0.00 0.00 173.24 174.55 1x6d s SER 3 N -0.48 -0.18 0.00 5.45 1.04 -1.26 -5.19 113.70 113.08 1x6d s SER 3 Ca 0.07 -0.11 0.00 0.00 0.48 0.00 0.00 55.95 56.40 1x6d s SER 3 Cb -0.03 0.27 0.00 0.00 0.10 0.00 0.00 66.02 66.36 1x6d s SER 3 CO -0.11 -0.47 0.00 0.61 0.98 0.00 0.00 173.24 174.25 1x6d n GLY 4 N -0.30 0.98 3.32 7.32 0.00 -1.26 -5.18 105.19 110.08 1x6d n GLY 4 Ca -0.05 -1.11 -0.17 0.00 0.00 0.00 0.00 46.02 44.69 1x6d n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1x6d s SER 5 N 0.00 1.30 -0.28 1.61 1.04 -1.26 -5.17 113.70 110.94 1x6d s SER 5 Ca 0.00 -1.46 -0.24 0.00 0.48 0.00 0.00 55.95 54.73 1x6d s SER 5 Cb 0.00 0.27 0.10 0.00 0.10 0.00 0.00 66.02 66.49 1x6d s SER 5 CO 0.00 -0.80 0.88 -0.55 0.98 0.00 0.00 173.24 173.75 1x6d s SER 6 N -3.33 -0.60 -0.04 7.02 0.15 -1.26 -5.16 113.70 110.47 1x6d s SER 6 Ca 0.37 1.14 -0.07 0.00 0.70 0.00 0.00 55.95 58.09 1x6d s SER 6 Cb 0.07 1.17 -0.04 0.00 -1.71 0.00 0.00 66.02 65.50 1x6d s SER 6 CO 0.15 -0.20 0.22 -0.83 1.20 0.00 0.00 173.24 173.78 1x6d s GLY 7 N 0.39 2.23 0.04 9.45 0.00 -1.26 -5.07 107.32 113.10 1x6d s GLY 7 Ca 0.01 -0.60 -0.30 0.00 0.00 0.00 0.00 44.72 43.83 1x6d s GLY 7 CO -0.04 -0.38 1.01 0.00 0.00 0.00 0.00 173.10 173.69 1x6d s ALA 8 N -1.18 3.21 0.35 3.20 0.00 -1.26 -5.04 121.76 121.04 1x6d s ALA 8 Ca 0.22 0.59 0.02 0.00 0.00 0.00 0.00 51.96 52.80 1x6d s ALA 8 Cb -0.13 -3.34 -0.02 0.00 0.00 0.00 0.00 23.12 19.63 1x6d s ALA 8 CO 0.12 -0.21 0.52 -0.08 0.00 0.00 0.00 175.76 176.11 1x6d s THR 9 N 0.74 4.70 -1.21 0.00 -1.32 -1.26 -5.01 115.64 112.28 1x6d s THR 9 Ca 0.52 -0.68 -0.07 0.00 -1.21 0.00 0.00 61.69 60.25 1x6d s THR 9 Cb -0.23 -3.69 0.22 0.00 -1.51 0.00 0.00 72.50 67.28 1x6d s THR 9 CO 0.29 -0.39 1.82 -0.11 -2.21 0.00 0.00 174.62 174.02 1x6d n LEU 10 N -1.75 6.83 -3.56 9.08 7.94 -1.26 -4.90 117.00 129.38 1x6d n LEU 10 Ca -0.03 -4.91 -0.13 0.00 -1.11 0.00 0.00 56.01 49.83 1x6d n LEU 10 Cb 0.57 -1.38 -0.05 0.00 0.53 0.00 0.00 43.42 43.10 1x6d n LEU 10 CO 0.46 1.62 0.26 -0.75 -1.11 0.00 0.00 177.39 177.88 1x6d s LYS 11 N -1.16 1.08 0.03 1.96 2.20 -1.26 -5.05 119.74 117.55 1x6d s LYS 11 Ca 0.39 -0.41 0.00 0.00 -0.36 0.00 0.00 55.97 55.59 1x6d s LYS 11 Cb 0.10 0.49 0.00 0.00 -1.51 0.00 0.00 37.83 36.91 1x6d s LYS 11 CO 0.02 -0.42 0.00 0.00 -0.36 0.00 0.00 175.35 174.59 1x6d n GLN 12 N 0.10 0.00 -2.15 4.03 10.64 -1.26 -5.11 117.38 123.63 1x6d n GLN 12 Ca -0.17 0.00 -0.03 0.00 -1.83 0.00 0.00 57.00 54.97 1x6d n GLN 12 Cb 0.62 0.00 -0.02 0.00 -0.86 0.00 0.00 30.24 29.98 1x6d n GLN 12 CO 0.00 0.00 0.00 -0.11 -1.83 0.00 0.00 177.06 175.12 1x6d n LEU 13 N -2.68 -4.66 0.00 2.61 -0.00 -1.26 -4.98 117.00 106.03 1x6d n LEU 13 Ca 0.00 1.23 0.00 0.00 -0.00 0.00 0.00 56.01 57.24 1x6d n LEU 13 Cb 0.00 -2.34 0.00 0.00 -0.00 0.00 0.00 43.42 41.08 1x6d n LEU 13 CO 0.00 -2.24 0.00 -0.67 -0.00 0.00 0.00 177.39 174.48 1x6d n ASP 14 N 0.85 0.00 -1.19 1.96 -0.08 -1.26 -4.98 116.55 111.85 1x6d n ASP 14 Ca -0.19 0.00 -0.13 0.00 -1.51 0.00 0.00 54.79 52.96 1x6d n ASP 14 Cb 0.29 0.00 -0.03 0.00 2.34 0.00 0.00 41.12 43.72 1x6d n ASP 14 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1x6d n GLY 15 N 0.00 0.64 3.54 0.27 0.00 -1.26 -4.99 105.19 103.40 1x6d n GLY 15 Ca 0.00 -0.40 -0.36 0.00 0.00 0.00 0.00 46.02 45.25 1x6d n GLY 15 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1x6d s ILE 16 N -2.54 4.77 -0.12 -0.61 -1.09 -1.26 -3.94 121.20 116.41 1x6d s ILE 16 Ca 0.00 -0.02 0.03 0.00 -2.23 0.00 0.00 60.65 58.43 1x6d s ILE 16 Cb 0.00 -3.23 0.00 0.00 -1.58 0.00 0.00 42.46 37.66 1x6d s ILE 16 CO 0.00 0.34 -0.23 -1.38 -1.23 0.00 0.00 174.94 172.45 1x6d s HIS 17 N 1.34 2.61 0.35 3.97 -3.43 -1.12 -5.04 115.29 113.98 1x6d s HIS 17 Ca 0.06 -1.12 -0.17 0.00 -0.80 0.00 0.00 55.06 53.03 1x6d s HIS 17 Cb -0.15 -1.75 -0.10 0.00 -1.43 0.00 0.00 32.58 29.15 1x6d s HIS 17 CO 0.05 -0.47 0.79 0.08 -2.00 0.00 0.00 174.74 173.19 1x6d s VAL 18 N 0.50 4.60 -0.06 -5.38 1.01 -1.26 -3.47 120.40 116.34 1x6d s VAL 18 Ca -0.15 1.09 0.02 0.00 0.00 0.00 0.00 61.98 62.94 1x6d s VAL 18 Cb -0.17 -3.61 0.02 0.00 0.00 0.00 0.00 36.38 32.62 1x6d s VAL 18 CO 0.05 -0.22 -0.09 -0.89 0.00 0.00 0.00 175.10 173.95 1x6d s THR 19 N -2.04 0.94 -0.34 3.92 2.01 -1.08 -5.04 115.64 114.02 1x6d s THR 19 Ca 0.56 -0.35 -0.05 0.00 0.31 0.00 0.00 61.69 62.17 1x6d s THR 19 Cb -0.10 -0.90 0.05 0.00 0.01 0.00 0.00 72.50 71.57 1x6d s THR 19 CO 0.16 0.32 0.09 -0.63 -0.69 0.00 0.00 174.62 173.87 1x6d s ILE 20 N 0.87 3.48 -0.05 1.82 -1.09 -1.26 -3.05 121.20 121.92 1x6d s ILE 20 Ca -0.11 -1.35 -0.15 0.00 -2.23 0.00 0.00 60.65 56.81 1x6d s ILE 20 Cb -0.15 -3.04 -0.05 0.00 -1.58 0.00 0.00 42.46 37.64 1x6d s ILE 20 CO 0.01 -0.24 0.40 -0.76 -1.23 0.00 0.00 174.94 173.12 1x6d s LEU 21 N 1.32 4.40 -0.32 2.97 2.01 -1.02 -4.96 118.68 123.08 1x6d s LEU 21 Ca -0.01 0.85 -0.00 0.00 0.01 0.00 0.00 54.13 54.98 1x6d s LEU 21 Cb -0.20 -2.56 0.07 0.00 0.01 0.00 0.00 46.19 43.51 1x6d s LEU 21 CO 0.01 0.23 0.02 -1.00 1.01 0.00 0.00 176.35 176.62 1x6d s HIS 22 N -0.52 3.39 0.19 0.29 3.76 -1.26 -2.43 115.29 118.71 1x6d s HIS 22 Ca 0.23 -2.23 0.02 0.00 -0.15 0.00 0.00 55.06 52.93 1x6d s HIS 22 Cb -0.16 -2.38 -0.05 0.00 1.11 0.00 0.00 32.58 31.11 1x6d s HIS 22 CO 0.11 -0.87 0.01 -1.59 -0.85 0.00 0.00 174.74 171.56 1x6d s LYS 23 N 1.15 1.16 0.71 1.40 0.00 0.36 -5.01 119.74 119.51 1x6d s LYS 23 Ca -0.01 -1.57 -0.11 0.00 0.00 0.00 0.00 55.97 54.27 1x6d s LYS 23 Cb -0.20 -0.28 0.02 0.00 0.00 0.00 0.00 37.83 37.37 1x6d s LYS 23 CO -0.03 -0.15 1.08 -1.21 0.00 0.00 0.00 175.35 175.04 1x6d s GLU 24 N -3.93 2.83 -0.48 1.78 8.01 -1.26 -4.04 118.70 121.61 1x6d s GLU 24 Ca 0.26 0.59 -0.33 0.00 0.01 0.00 0.00 54.97 55.51 1x6d s GLU 24 Cb 0.06 -2.01 -0.12 0.00 -4.31 0.00 0.00 34.13 27.75 1x6d s GLU 24 CO 0.05 -1.09 2.31 0.39 0.01 0.00 0.00 175.26 176.94 1x6d n GLU 25 N -3.06 0.90 -1.36 1.61 1.02 -1.26 0.18 120.64 118.67 1x6d n GLU 25 Ca 0.07 0.19 0.00 0.00 -0.02 0.00 0.00 57.16 57.40 1x6d n GLU 25 Cb 0.56 -2.50 0.00 0.00 -0.02 0.00 0.00 31.44 29.48 1x6d n GLU 25 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1x6d n GLY 26 N 6.44 0.38 0.11 0.62 0.00 -1.20 -4.93 105.19 106.61 1x6d n GLY 26 Ca 0.44 -1.02 -0.10 0.00 0.00 0.00 0.00 46.02 45.34 1x6d n GLY 26 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1x6d h ALA 27 N 0.00 0.38 0.00 4.61 0.00 0.17 -3.50 119.26 120.92 1x6d h ALA 27 Ca 0.00 -0.79 0.00 0.00 0.00 0.00 0.00 54.91 54.12 1x6d h ALA 27 Cb 0.36 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.08 1x6d h ALA 27 CO 0.00 0.98 0.00 0.41 0.00 0.00 0.00 179.25 180.64 1x6d n GLY 28 N 1.11 0.57 0.13 0.00 0.00 -1.26 -4.82 105.19 100.93 1x6d n GLY 28 Ca -0.04 -1.77 -0.20 0.00 0.00 0.00 0.00 46.02 44.00 1x6d n GLY 28 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1x6d h LEU 29 N 0.00 0.55 0.00 0.99 3.38 -1.94 -3.45 115.31 114.84 1x6d h LEU 29 Ca 0.00 -0.74 0.00 0.00 0.09 0.00 0.00 57.88 57.23 1x6d h LEU 29 Cb 0.00 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 40.57 1x6d h LEU 29 CO 0.00 1.61 0.00 0.61 0.09 0.00 0.00 178.44 180.75 1x6d n GLY 30 N 1.74 0.96 3.39 0.83 0.00 -1.26 -1.09 105.19 109.76 1x6d n GLY 30 Ca -0.19 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.72 1x6d n GLY 30 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1x6d s PHE 31 N -2.00 0.82 0.38 1.61 -0.71 -1.26 0.19 117.98 117.01 1x6d s PHE 31 Ca 0.00 -1.10 0.04 0.00 -1.04 0.00 0.00 56.93 54.83 1x6d s PHE 31 Cb 0.00 -0.20 -0.05 0.00 -1.21 0.00 0.00 43.02 41.56 1x6d s PHE 31 CO 0.00 -0.84 0.06 0.45 -1.34 0.00 0.00 175.22 173.55 1x6d s SER 32 N -3.11 2.96 0.18 1.98 0.15 -0.43 -4.96 113.70 110.47 1x6d s SER 32 Ca 0.31 -1.48 0.03 0.00 0.70 0.00 0.00 55.95 55.51 1x6d s SER 32 Cb 0.03 0.07 -0.03 0.00 -1.71 0.00 0.00 66.02 64.38 1x6d s SER 32 CO 0.12 -0.68 0.32 -0.76 1.20 0.00 0.00 173.24 173.43 1x6d s LEU 33 N -3.60 4.32 0.02 3.45 1.43 -1.26 -1.81 118.68 121.22 1x6d s LEU 33 Ca 0.29 0.17 -0.03 0.00 -1.03 0.00 0.00 54.13 53.53 1x6d s LEU 33 Cb 0.07 -2.93 -0.01 0.00 0.03 0.00 0.00 46.19 43.35 1x6d s LEU 33 CO 0.14 0.01 0.05 0.00 0.23 0.00 0.00 176.35 176.77 1x6d s ALA 34 N -1.82 -0.05 0.00 4.21 0.00 0.44 -4.23 121.76 120.30 1x6d s ALA 34 Ca 0.35 -0.44 0.00 0.00 0.00 0.00 0.00 51.96 51.87 1x6d s ALA 34 Cb -0.10 0.15 0.00 0.00 0.00 0.00 0.00 23.12 23.17 1x6d s ALA 34 CO 0.29 -0.21 0.00 0.41 0.00 0.00 0.00 175.76 176.25 1x6d n GLY 35 N 1.38 -1.16 3.99 0.00 0.00 -1.26 0.72 105.19 108.86 1x6d n GLY 35 Ca -0.23 -1.60 0.05 0.00 0.00 0.00 0.00 46.02 44.24 1x6d n GLY 35 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1x6d s GLY 36 N -2.38 -0.25 0.09 -0.02 0.00 -0.35 -3.97 107.32 100.44 1x6d s GLY 36 Ca 0.00 0.25 -0.16 0.00 0.00 0.00 0.00 44.72 44.80 1x6d s GLY 36 CO 0.00 6.35 1.45 0.00 0.00 0.00 0.00 173.10 180.90 1x6d h ALA 37 N 2.00 0.40 0.00 3.20 0.00 -1.51 -2.69 119.26 120.65 1x6d h ALA 37 Ca -0.21 -0.33 -0.05 0.00 0.00 0.00 0.00 54.91 54.32 1x6d h ALA 37 Cb 1.17 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.86 1x6d h ALA 37 CO 0.29 0.29 -0.25 0.22 0.00 0.00 0.00 179.25 179.80 1x6d h ASP 38 N 0.34 0.00 -4.16 0.00 1.82 -1.86 -3.44 116.42 109.13 1x6d h ASP 38 Ca 0.06 0.00 -0.45 0.00 -0.39 0.00 0.00 57.03 56.25 1x6d h ASP 38 Cb 0.67 0.00 0.14 0.00 0.68 0.00 0.00 39.33 40.82 1x6d h ASP 38 CO 0.04 0.25 0.34 -0.76 -1.61 0.00 0.00 179.24 177.50 1x6d s LEU 39 N -6.73 2.15 0.23 2.28 1.02 -1.02 -4.96 118.68 111.65 1x6d s LEU 39 Ca 0.01 0.67 -0.06 0.00 0.02 0.00 0.00 54.13 54.77 1x6d s LEU 39 Cb 0.10 -2.86 0.22 0.00 0.02 0.00 0.00 46.19 43.67 1x6d s LEU 39 CO 0.65 -2.69 1.76 -0.33 0.02 0.00 0.00 176.35 175.77 1x6d h GLU 40 N -1.60 1.03 -5.27 1.70 5.08 -1.86 -3.38 114.58 110.28 1x6d h GLU 40 Ca -0.47 -0.23 -0.66 0.00 -1.00 0.00 0.00 59.36 57.00 1x6d h GLU 40 Cb 1.30 -0.14 -0.16 0.00 0.50 0.00 0.00 28.75 30.24 1x6d h GLU 40 CO 0.52 0.91 0.19 0.54 -1.00 0.00 0.00 179.01 180.17 1x6d s ASN 41 N -6.50 6.27 0.17 1.42 2.20 -1.26 -4.91 114.94 112.33 1x6d s ASN 41 Ca -0.11 -0.67 -0.14 0.00 -0.94 0.00 0.00 52.86 51.00 1x6d s ASN 41 Cb 0.15 -2.33 0.09 0.00 -2.00 0.00 0.00 41.25 37.16 1x6d s ASN 41 CO 0.83 -0.96 1.80 0.11 -2.94 0.00 0.00 177.10 175.94 1x6d h LYS 42 N 9.06 0.51 -6.53 3.55 1.79 -1.73 -0.91 116.57 122.30 1x6d h LYS 42 Ca -0.27 -0.03 -0.52 0.00 -2.18 0.00 0.00 60.65 57.65 1x6d h LYS 42 Cb 1.09 -0.11 -0.03 0.00 -1.58 0.00 0.00 32.23 31.60 1x6d h LYS 42 CO 0.98 0.33 0.27 0.54 -1.08 0.00 0.00 179.45 180.50 1x6d s VAL 43 N -6.14 4.45 0.25 0.50 0.11 -1.26 -3.87 120.40 114.43 1x6d s VAL 43 Ca -0.13 1.89 -0.29 0.00 -2.93 0.00 0.00 61.98 60.52 1x6d s VAL 43 Cb 0.13 -4.24 -0.09 0.00 -1.53 0.00 0.00 36.38 30.65 1x6d s VAL 43 CO 0.73 0.41 0.95 -0.63 -3.33 0.00 0.00 175.10 173.23 1x6d s ILE 44 N -0.47 4.04 0.34 7.04 1.09 -1.26 -4.52 121.20 127.46 1x6d s ILE 44 Ca 0.41 2.01 0.05 0.00 -1.10 0.00 0.00 60.65 62.02 1x6d s ILE 44 Cb -0.23 -4.26 -0.07 0.00 -1.06 0.00 0.00 42.46 36.85 1x6d s ILE 44 CO 0.28 0.44 0.03 0.42 -0.10 0.00 0.00 174.94 176.01 1x6d s THR 45 N -1.24 1.46 -0.61 2.92 -4.23 0.22 0.78 115.64 114.95 1x6d s THR 45 Ca 0.43 -2.02 -0.27 0.00 -1.18 0.00 0.00 61.69 58.65 1x6d s THR 45 Cb -0.25 -2.79 -0.01 0.00 1.34 0.00 0.00 72.50 70.79 1x6d s THR 45 CO 0.32 -0.05 1.69 -0.69 -0.54 0.00 0.00 174.62 175.35 1x6d s VAL 46 N -3.11 3.49 0.08 2.29 1.01 -0.67 0.16 120.40 123.65 1x6d s VAL 46 Ca 0.35 0.32 -0.31 0.00 0.00 0.00 0.00 61.98 62.34 1x6d s VAL 46 Cb 0.08 -4.16 -0.15 0.00 0.00 0.00 0.00 36.38 32.15 1x6d s VAL 46 CO 0.16 -1.08 1.48 -0.74 0.00 0.00 0.00 175.10 174.92 1x6d h HIS 47 N 13.42 -1.24 -3.36 5.22 2.76 -1.53 -0.82 115.15 129.61 1x6d h HIS 47 Ca -0.27 0.01 -0.10 0.00 -2.20 0.00 0.00 60.37 57.82 1x6d h HIS 47 Cb 1.13 0.49 -0.17 0.00 1.55 0.00 0.00 27.41 30.41 1x6d h HIS 47 CO 1.05 -0.58 -0.28 1.03 -1.30 0.00 0.00 177.93 177.85 1x6d s ARG 48 N -5.46 0.79 -0.39 5.26 3.00 -1.26 -4.61 118.95 116.27 1x6d s ARG 48 Ca -0.15 -0.53 0.04 0.00 0.00 0.00 0.00 55.73 55.08 1x6d s ARG 48 Cb 0.04 0.34 0.11 0.00 0.00 0.00 0.00 34.95 35.44 1x6d s ARG 48 CO 0.52 -0.25 0.12 0.08 0.00 0.00 0.00 175.30 175.77 1x6d s VAL 49 N -2.56 2.27 0.64 3.52 1.01 -1.26 -1.32 120.40 122.70 1x6d s VAL 49 Ca -0.05 -2.59 -0.16 0.00 0.00 0.00 0.00 61.98 59.18 1x6d s VAL 49 Cb -0.01 -2.65 -0.14 0.00 0.00 0.00 0.00 36.38 33.58 1x6d s VAL 49 CO -0.03 -0.67 -0.35 0.49 0.00 0.00 0.00 175.10 174.53 1x6d n PHE 50 N 3.93 -3.50 0.13 5.22 3.72 0.50 -4.85 117.46 122.62 1x6d n PHE 50 Ca 0.04 0.25 -0.01 0.00 -0.05 0.00 0.00 57.45 57.68 1x6d n PHE 50 Cb 0.39 -1.47 0.12 0.00 -0.94 0.00 0.00 39.48 37.58 1x6d n PHE 50 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 1x6d h PRO 51 N -0.35 0.00 -3.33 -1.08 0.13 -1.99 -3.38 132.00 121.99 1x6d h PRO 51 Ca -0.39 0.00 -0.65 0.00 -0.87 0.00 0.00 66.00 64.09 1x6d h PRO 51 Cb 1.29 0.00 -0.39 0.00 0.13 0.00 0.00 31.00 32.02 1x6d h PRO 51 CO 0.32 0.65 -0.49 -0.80 -0.23 0.00 0.00 178.00 177.45 1x6d s ASN 52 N -6.69 4.84 0.16 1.44 -0.87 -1.26 -4.92 114.94 107.64 1x6d s ASN 52 Ca 0.00 -3.29 -0.08 0.00 -1.57 0.00 0.00 52.86 47.92 1x6d s ASN 52 Cb 0.11 -1.72 0.03 0.00 -0.02 0.00 0.00 41.25 39.65 1x6d s ASN 52 CO 0.76 -0.21 0.39 0.61 -2.57 0.00 0.00 177.10 176.08 1x6d n GLY 53 N 2.79 1.38 0.09 0.66 0.00 -1.26 -4.86 105.19 103.98 1x6d n GLY 53 Ca 0.11 -1.10 -0.15 0.00 0.00 0.00 0.00 46.02 44.89 1x6d n GLY 53 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1x6d h LEU 54 N 0.00 0.00 -1.63 0.99 3.38 -1.42 -2.82 115.31 113.81 1x6d h LEU 54 Ca -0.15 -0.30 0.22 0.00 0.09 0.00 0.00 57.88 57.75 1x6d h LEU 54 Cb 0.56 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.28 1x6d h LEU 54 CO 0.19 1.19 0.80 0.00 0.09 0.00 0.00 178.44 180.71 1x6d h ALA 55 N -0.70 2.58 0.08 1.53 0.00 -1.59 1.93 119.26 123.09 1x6d h ALA 55 Ca -0.21 -0.03 -0.32 0.00 0.00 0.00 0.00 54.91 54.35 1x6d h ALA 55 Cb 0.98 0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.80 1x6d h ALA 55 CO -0.13 -1.20 -1.77 0.77 0.00 0.00 0.00 179.25 176.93 1x6d h SER 56 N 0.00 0.27 -0.08 0.00 0.02 -1.79 -3.23 113.55 108.74 1x6d h SER 56 Ca 0.36 -0.52 -0.20 0.00 -0.84 0.00 0.00 61.79 60.60 1x6d h SER 56 Cb 1.97 -0.09 0.01 0.00 0.14 0.00 0.00 62.40 64.43 1x6d h SER 56 CO -0.00 1.46 -0.72 1.56 -1.14 0.00 0.00 176.83 177.99 1x6d h GLN 57 N 0.05 0.63 -0.18 3.45 4.20 0.21 -3.27 115.11 120.19 1x6d h GLN 57 Ca -0.32 -0.57 0.03 0.00 0.06 0.00 0.00 58.65 57.85 1x6d h GLN 57 Cb 2.02 0.14 -0.03 0.00 0.30 0.00 0.00 27.48 29.91 1x6d h GLN 57 CO 0.11 1.18 -0.01 1.49 -0.67 0.00 0.00 178.83 180.93 1x6d h GLU 58 N 0.27 0.05 0.00 1.46 4.57 0.22 -3.46 114.58 117.68 1x6d h GLU 58 Ca -0.07 -0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.11 1x6d h GLU 58 Cb 1.37 -0.01 0.00 0.00 -0.16 0.00 0.00 28.75 29.95 1x6d h GLU 58 CO 0.15 0.03 0.00 0.41 -1.18 0.00 0.00 179.01 178.41 1x6d n GLY 59 N -1.18 0.72 0.10 1.92 0.00 -1.22 -4.92 105.19 100.60 1x6d n GLY 59 Ca -0.03 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.80 1x6d n GLY 59 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1x6d h THR 60 N 0.00 1.32 -2.58 2.61 2.02 -1.90 -3.41 112.91 110.96 1x6d h THR 60 Ca 0.00 -2.32 -0.69 0.00 0.77 0.00 0.00 66.41 64.16 1x6d h THR 60 Cb 0.00 2.85 -0.18 0.00 -1.74 0.00 0.00 68.15 69.08 1x6d h THR 60 CO 0.00 0.55 0.69 -0.63 0.37 0.00 0.00 175.52 176.50 1x6d s ILE 61 N -2.34 4.76 -0.15 3.11 1.01 -1.24 -4.98 121.20 121.36 1x6d s ILE 61 Ca -0.22 -1.48 -0.05 0.00 0.00 0.00 0.00 60.65 58.90 1x6d s ILE 61 Cb 0.02 -4.72 -0.04 0.00 0.01 0.00 0.00 42.46 37.73 1x6d s ILE 61 CO 0.69 -1.44 0.02 -1.10 0.00 0.00 0.00 174.94 173.12 1x6d s GLN 62 N 2.63 3.68 0.11 2.79 -0.21 -1.26 -4.51 119.66 122.89 1x6d s GLN 62 Ca 0.29 -0.40 -0.34 0.00 0.02 0.00 0.00 55.36 54.93 1x6d s GLN 62 Cb -0.08 -3.05 -0.18 0.00 1.00 0.00 0.00 33.01 30.71 1x6d s GLN 62 CO -0.06 0.37 0.92 0.36 -2.12 0.00 0.00 175.29 174.75 1x6d n LYS 63 N 3.21 0.30 0.00 2.91 2.85 -1.26 -0.33 118.16 125.84 1x6d n LYS 63 Ca -0.17 0.11 0.00 0.00 -1.05 0.00 0.00 58.31 57.19 1x6d n LYS 63 Cb 0.53 -1.44 0.00 0.00 -0.65 0.00 0.00 35.03 33.46 1x6d n LYS 63 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1x6d n GLY 64 N 1.80 3.29 3.55 2.58 0.00 -0.31 -4.97 105.19 111.13 1x6d n GLY 64 Ca 0.18 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.91 1x6d n GLY 64 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1x6d s ASN 65 N -0.44 1.58 -0.28 1.61 0.02 0.56 -4.69 114.94 113.31 1x6d s ASN 65 Ca 0.00 1.79 -0.10 0.00 -1.02 0.00 0.00 52.86 53.54 1x6d s ASN 65 Cb 0.00 -2.43 -0.04 0.00 0.02 0.00 0.00 41.25 38.81 1x6d s ASN 65 CO 0.00 -3.87 0.15 -0.70 0.02 0.00 0.00 177.10 172.70 1x6d s GLU 66 N -4.50 3.78 -0.19 -0.60 2.12 -1.26 -1.67 118.70 116.37 1x6d s GLU 66 Ca 0.68 -0.42 -0.24 0.00 0.36 0.00 0.00 54.97 55.35 1x6d s GLU 66 Cb -0.25 -3.55 -0.02 0.00 0.26 0.00 0.00 34.13 30.58 1x6d s GLU 66 CO 0.62 -0.22 0.79 0.08 -0.54 0.00 0.00 175.26 175.99 1x6d s VAL 67 N 1.70 4.90 -0.20 3.70 1.01 0.23 -4.27 120.40 127.48 1x6d s VAL 67 Ca 0.07 1.52 -0.22 0.00 0.00 0.00 0.00 61.98 63.35 1x6d s VAL 67 Cb -0.16 -4.09 -0.19 0.00 0.00 0.00 0.00 36.38 31.94 1x6d s VAL 67 CO 0.08 0.03 0.24 -0.07 0.00 0.00 0.00 175.10 175.38 1x6d h LEU 68 N 8.45 0.00 -7.79 3.92 3.38 -1.62 -3.36 115.31 118.29 1x6d h LEU 68 Ca -0.29 -0.52 0.00 0.00 0.09 0.00 0.00 57.88 57.16 1x6d h LEU 68 Cb 1.13 0.00 -0.08 0.00 0.09 0.00 0.00 40.66 41.79 1x6d h LEU 68 CO 0.83 1.43 0.09 -0.94 0.09 0.00 0.00 178.44 179.95 1x6d s SER 69 N -6.77 -0.27 -0.11 -0.43 1.04 -1.24 -2.96 113.70 102.96 1x6d s SER 69 Ca -0.28 -0.54 -0.04 0.00 0.48 0.00 0.00 55.95 55.57 1x6d s SER 69 Cb 0.05 0.63 0.05 0.00 0.10 0.00 0.00 66.02 66.86 1x6d s SER 69 CO 0.59 -1.16 0.23 -0.63 0.98 0.00 0.00 173.24 173.25 1x6d s ILE 70 N -3.90 -0.27 0.00 -1.02 1.01 -1.07 -2.53 121.20 113.42 1x6d s ILE 70 Ca 0.11 0.26 0.00 0.00 0.00 0.00 0.00 60.65 61.02 1x6d s ILE 70 Cb -0.03 -0.38 0.00 0.00 0.01 0.00 0.00 42.46 42.06 1x6d s ILE 70 CO 0.01 0.11 0.00 -3.20 0.00 0.00 0.00 174.94 171.86 1x6d n ASN 71 N 5.00 0.00 0.00 3.58 4.05 0.52 -2.77 115.26 125.64 1x6d n ASN 71 Ca -0.12 0.00 0.00 0.00 0.45 0.00 0.00 54.58 54.91 1x6d n ASN 71 Cb 0.51 0.00 0.00 0.00 1.23 0.00 0.00 39.78 41.52 1x6d n ASN 71 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 1x6d n GLY 72 N -2.00 0.94 3.39 8.20 0.00 -1.26 -4.86 105.19 109.61 1x6d n GLY 72 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 1x6d n GLY 72 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1x6d s LYS 73 N -0.80 2.89 0.58 1.61 2.20 -1.11 -5.07 119.74 120.03 1x6d s LYS 73 Ca 0.00 -1.04 -0.17 0.00 -0.36 0.00 0.00 55.97 54.40 1x6d s LYS 73 Cb 0.00 -3.75 -0.04 0.00 -1.51 0.00 0.00 37.83 32.53 1x6d s LYS 73 CO 0.00 -0.68 1.07 -1.12 -0.36 0.00 0.00 175.35 174.26 1x6d s SER 74 N 1.58 5.78 -0.57 1.43 0.01 -1.26 -2.60 113.70 118.06 1x6d s SER 74 Ca 0.03 1.90 -0.25 0.00 1.31 0.00 0.00 55.95 58.94 1x6d s SER 74 Cb -0.19 -2.55 0.04 0.00 0.21 0.00 0.00 66.02 63.53 1x6d s SER 74 CO 0.07 -1.17 1.01 -0.76 0.41 0.00 0.00 173.24 172.80 1x6d s LEU 75 N -4.29 3.94 -0.03 2.44 1.43 -1.15 -4.85 118.68 116.17 1x6d s LEU 75 Ca 0.66 -0.28 0.08 0.00 -1.03 0.00 0.00 54.13 53.56 1x6d s LEU 75 Cb -0.18 -2.88 0.29 0.00 0.03 0.00 0.00 46.19 43.45 1x6d s LEU 75 CO 0.33 -1.31 1.14 2.29 0.23 0.00 0.00 176.35 179.03 1x6d n LYS 76 N 7.75 1.99 0.00 1.70 0.00 -1.26 -4.70 118.16 123.64 1x6d n LYS 76 Ca 0.03 -1.13 0.00 0.00 -0.00 0.00 0.00 58.31 57.21 1x6d n LYS 76 Cb 0.48 -1.43 0.00 0.00 -0.00 0.00 0.00 35.03 34.08 1x6d n LYS 76 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1x6d n GLY 77 N 0.72 1.93 3.77 2.58 0.00 -1.26 -5.10 105.19 107.83 1x6d n GLY 77 Ca 0.10 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.73 1x6d n GLY 77 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1x6d s THR 78 N -2.00 2.18 0.00 2.61 2.01 -1.26 -4.19 115.64 114.99 1x6d s THR 78 Ca 0.00 0.16 0.00 0.00 0.31 0.00 0.00 61.69 62.16 1x6d s THR 78 Cb 0.00 -3.09 0.00 0.00 0.01 0.00 0.00 72.50 69.42 1x6d s THR 78 CO 0.00 0.02 0.00 0.35 -0.69 0.00 0.00 174.62 174.30 1x6d n THR 79 N -0.20 0.00 0.06 -0.82 -2.24 -1.26 -2.02 114.28 107.80 1x6d n THR 79 Ca 0.05 0.00 -0.14 0.00 -2.27 0.00 0.00 64.05 61.69 1x6d n THR 79 Cb 0.42 -0.65 -0.04 0.00 -2.10 0.00 0.00 70.33 67.96 1x6d n THR 79 CO 0.00 0.00 0.00 -0.74 -0.57 0.00 0.00 175.07 173.76 1x6d h HIS 80 N -1.45 0.69 0.05 4.78 2.76 -1.90 -2.82 115.15 117.26 1x6d h HIS 80 Ca 0.00 -0.36 -0.00 0.00 -2.20 0.00 0.00 60.37 57.81 1x6d h HIS 80 Cb 0.00 -0.08 0.00 0.00 1.55 0.00 0.00 27.41 28.88 1x6d h HIS 80 CO 0.00 1.17 -0.03 1.25 -1.30 0.00 0.00 177.93 179.03 1x6d h HIS 81 N 0.28 -0.07 -1.84 5.26 -0.00 -1.92 0.21 115.15 117.07 1x6d h HIS 81 Ca -0.08 -0.00 0.53 0.00 -0.00 0.00 0.00 60.37 60.83 1x6d h HIS 81 Cb 1.54 0.02 -0.07 0.00 -0.00 0.00 0.00 27.41 28.90 1x6d h HIS 81 CO 0.06 -0.04 1.37 -0.44 -0.00 0.00 0.00 177.93 178.89 1x6d h ASP 82 N -0.42 0.00 0.06 3.26 5.19 -1.93 1.94 116.42 124.52 1x6d h ASP 82 Ca -0.01 0.00 -0.20 0.00 -0.62 0.00 0.00 57.03 56.20 1x6d h ASP 82 Cb 0.05 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 39.56 1x6d h ASP 82 CO 0.01 0.00 -1.03 0.00 -3.12 0.00 0.00 179.24 175.10 1x6d h ALA 83 N 0.99 0.15 -0.56 3.45 0.00 -1.54 -2.86 119.26 118.88 1x6d h ALA 83 Ca 0.87 -0.97 0.00 0.00 0.00 0.00 0.00 54.91 54.82 1x6d h ALA 83 Cb 3.61 0.42 -0.03 0.00 0.00 0.00 0.00 17.79 21.79 1x6d h ALA 83 CO -0.01 0.59 0.37 1.25 0.00 0.00 0.00 179.25 181.44 1x6d h LEU 84 N -0.65 0.66 0.69 0.00 5.85 0.56 -1.21 115.31 121.21 1x6d h LEU 84 Ca -0.24 -0.03 -0.03 0.00 0.84 0.00 0.00 57.88 58.42 1x6d h LEU 84 Cb 1.47 -0.16 0.00 0.00 0.37 0.00 0.00 40.66 42.34 1x6d h LEU 84 CO -0.02 0.49 -0.35 0.00 -0.34 0.00 0.00 178.44 178.22 1x6d h ALA 85 N 1.20 -0.95 -0.91 1.25 0.00 0.21 -1.13 119.26 118.93 1x6d h ALA 85 Ca 0.21 -0.20 0.25 0.00 0.00 0.00 0.00 54.91 55.16 1x6d h ALA 85 Cb -0.07 0.39 -0.14 0.00 0.00 0.00 0.00 17.79 17.96 1x6d h ALA 85 CO -0.04 -1.04 0.30 0.82 0.00 0.00 0.00 179.25 179.29 1x6d h ILE 86 N -0.95 0.31 -0.55 0.00 5.03 -1.28 1.89 117.51 121.96 1x6d h ILE 86 Ca -0.09 -0.08 -0.02 0.00 -0.12 0.00 0.00 64.86 64.55 1x6d h ILE 86 Cb 0.74 0.06 -0.03 0.00 -3.03 0.00 0.00 36.82 34.56 1x6d h ILE 86 CO 0.14 0.04 0.28 0.25 -0.68 0.00 0.00 178.15 178.18 1x6d h LEU 87 N 0.23 0.69 -1.13 1.44 7.12 -0.66 0.32 115.31 123.31 1x6d h LEU 87 Ca 0.59 -0.06 -0.07 0.00 0.13 0.00 0.00 57.88 58.47 1x6d h LEU 87 Cb 1.23 -0.17 -0.01 0.00 -0.53 0.00 0.00 40.66 41.18 1x6d h LEU 87 CO -0.65 0.58 -0.35 0.08 -0.13 0.00 0.00 178.44 177.97 1x6d h ARG 88 N 0.77 0.00 0.01 1.25 0.11 0.41 -2.61 114.38 114.32 1x6d h ARG 88 Ca 0.19 0.00 -0.25 0.00 0.10 0.00 0.00 59.98 60.03 1x6d h ARG 88 Cb 0.06 0.00 -0.03 0.00 1.11 0.00 0.00 29.97 31.11 1x6d h ARG 88 CO -0.03 0.35 -1.30 1.96 0.10 0.00 0.00 179.97 181.05 1x6d h GLN 89 N 0.00 0.03 0.00 0.08 4.20 0.89 -3.19 115.11 117.12 1x6d h GLN 89 Ca -0.00 -0.05 0.00 0.00 0.06 0.00 0.00 58.65 58.66 1x6d h GLN 89 Cb 0.78 0.02 0.00 0.00 0.30 0.00 0.00 27.48 28.58 1x6d h GLN 89 CO 0.05 0.83 0.00 0.00 -0.67 0.00 0.00 178.83 179.04 1x6d n ALA 90 N -2.45 2.05 1.05 3.87 0.00 0.95 -1.88 120.51 124.10 1x6d n ALA 90 Ca -0.08 -0.09 0.11 0.00 0.00 0.00 0.00 53.44 53.39 1x6d n ALA 90 Cb 0.99 -1.35 0.07 0.00 0.00 0.00 0.00 19.45 19.16 1x6d n ALA 90 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.50 180.39 1x6d n ARG 91 N -1.41 0.89 -0.18 0.00 1.85 -1.01 -4.21 116.66 112.58 1x6d n ARG 91 Ca 0.07 -0.69 -0.09 0.00 -1.00 0.00 0.00 57.85 56.14 1x6d n ARG 91 Cb 0.22 -1.49 0.01 0.00 -1.05 0.00 0.00 32.46 30.16 1x6d n ARG 91 CO 0.00 0.00 0.00 0.93 -0.01 0.00 0.00 177.63 178.55 1x6d h GLU 92 N 1.69 0.82 -7.55 2.89 5.08 -1.44 -3.18 114.58 112.89 1x6d h GLU 92 Ca 0.00 -0.19 -0.44 0.00 -1.00 0.00 0.00 59.36 57.72 1x6d h GLU 92 Cb 0.65 -0.11 0.15 0.00 0.50 0.00 0.00 28.75 29.95 1x6d h GLU 92 CO 0.00 0.78 0.29 -1.25 -1.00 0.00 0.00 179.01 177.83 1x6d s PRO 93 N -5.33 0.42 0.10 2.33 0.04 -1.26 -3.37 135.00 127.92 1x6d s PRO 93 Ca -0.13 0.02 0.26 0.00 0.04 0.00 0.00 61.00 61.19 1x6d s PRO 93 Cb 0.12 -1.78 0.67 0.00 0.04 0.00 0.00 34.50 33.55 1x6d s PRO 93 CO 0.80 -2.63 1.58 0.54 0.04 0.00 0.00 177.00 177.32 1x6d n ARG 94 N -4.02 0.17 -4.14 4.56 1.74 -1.26 -4.33 116.66 109.39 1x6d n ARG 94 Ca 0.10 0.09 -0.16 0.00 -0.77 0.00 0.00 57.85 57.11 1x6d n ARG 94 Cb 0.59 -1.65 -0.12 0.00 -1.02 0.00 0.00 32.46 30.27 1x6d n ARG 94 CO 0.00 0.00 0.00 -1.14 -1.52 0.00 0.00 177.63 174.97 1x6d s GLN 95 N -3.09 0.67 0.04 5.56 0.74 -1.26 0.14 119.66 122.46 1x6d s GLN 95 Ca 0.10 -0.80 0.01 0.00 0.05 0.00 0.00 55.36 54.72 1x6d s GLN 95 Cb 0.15 -0.56 -0.02 0.00 1.10 0.00 0.00 33.01 33.67 1x6d s GLN 95 CO 0.65 0.12 -0.06 0.00 -0.55 0.00 0.00 175.29 175.45 1x6d s ALA 96 N -1.22 0.45 -0.13 1.58 0.00 -1.02 -4.91 121.76 116.51 1x6d s ALA 96 Ca -0.05 -0.77 0.03 0.00 0.00 0.00 0.00 51.96 51.17 1x6d s ALA 96 Cb -0.09 0.10 0.01 0.00 0.00 0.00 0.00 23.12 23.13 1x6d s ALA 96 CO 0.01 -0.10 -0.21 0.08 0.00 0.00 0.00 175.76 175.54 1x6d s VAL 97 N -1.68 1.96 -0.05 0.00 1.01 -1.26 -2.43 120.40 117.95 1x6d s VAL 97 Ca -0.10 -0.93 0.01 0.00 0.00 0.00 0.00 61.98 60.96 1x6d s VAL 97 Cb -0.08 -1.73 0.02 0.00 0.00 0.00 0.00 36.38 34.59 1x6d s VAL 97 CO -0.01 0.53 -0.04 -0.63 0.00 0.00 0.00 175.10 174.96 1x6d s ILE 98 N 0.75 0.51 -0.32 2.22 1.09 -1.17 0.19 121.20 124.47 1x6d s ILE 98 Ca -0.09 -0.08 -0.10 0.00 -1.10 0.00 0.00 60.65 59.27 1x6d s ILE 98 Cb -0.16 -0.56 -0.01 0.00 -1.06 0.00 0.00 42.46 40.68 1x6d s ILE 98 CO 0.00 0.23 0.17 -0.69 -0.10 0.00 0.00 174.94 174.55 1x6d s VAL 99 N 1.10 4.70 0.05 2.92 1.01 -1.05 -2.62 120.40 126.50 1x6d s VAL 99 Ca -0.08 -0.43 0.02 0.00 0.00 0.00 0.00 61.98 61.48 1x6d s VAL 99 Cb -0.14 -3.42 -0.03 0.00 0.00 0.00 0.00 36.38 32.79 1x6d s VAL 99 CO -0.01 0.03 -0.08 0.42 0.00 0.00 0.00 175.10 175.46 1x6d s THR 100 N 1.62 0.56 0.22 3.92 -4.23 -1.23 -1.88 115.64 114.63 1x6d s THR 100 Ca 0.05 -1.20 0.07 0.00 -1.18 0.00 0.00 61.69 59.43 1x6d s THR 100 Cb -0.17 -0.76 -0.05 0.00 1.34 0.00 0.00 72.50 72.86 1x6d s THR 100 CO 0.07 -0.45 -0.12 0.00 -0.54 0.00 0.00 174.62 173.58 1x6d s ARG 101 N -1.90 1.36 -0.12 3.99 1.70 -1.26 -2.78 118.95 119.94 1x6d s ARG 101 Ca -0.07 -1.63 -0.20 0.00 -0.47 0.00 0.00 55.73 53.36 1x6d s ARG 101 Cb -0.08 -1.08 -0.04 0.00 -0.57 0.00 0.00 34.95 33.19 1x6d s ARG 101 CO -0.00 0.13 0.56 0.21 -1.08 0.00 0.00 175.30 175.12 1x6d s LYS 102 N -3.68 4.35 0.00 3.89 2.47 -1.25 -4.60 119.74 120.92 1x6d s LYS 102 Ca 0.24 0.59 0.00 0.00 -1.56 0.00 0.00 55.97 55.24 1x6d s LYS 102 Cb 0.01 -3.46 0.00 0.00 -1.46 0.00 0.00 37.83 32.92 1x6d s LYS 102 CO 0.08 0.07 0.00 1.47 0.16 0.00 0.00 175.35 177.13 1x6d n LEU 103 N 3.90 0.00 -3.91 5.43 -0.00 -1.26 -5.08 117.00 116.08 1x6d n LEU 103 Ca -0.05 0.00 -0.35 0.00 -0.00 0.00 0.00 56.01 55.61 1x6d n LEU 103 Cb 0.51 0.00 0.04 0.00 -0.00 0.00 0.00 43.42 43.97 1x6d n LEU 103 CO 0.44 0.00 -1.25 0.35 -0.00 0.00 0.00 177.39 176.93 1x6d n THR 104 N -0.26 0.00 -1.55 1.47 -2.24 -1.26 -4.91 114.28 105.53 1x6d n THR 104 Ca 0.00 -0.49 -0.30 0.00 -2.27 0.00 0.00 64.05 60.99 1x6d n THR 104 Cb 0.00 0.00 0.09 0.00 -2.10 0.00 0.00 70.33 68.32 1x6d n THR 104 CO 0.00 0.00 0.00 -2.16 -0.57 0.00 0.00 175.07 172.34 1x6d s PRO 105 N -1.87 2.15 1.00 -0.78 0.04 -1.26 -5.04 135.00 129.25 1x6d s PRO 105 Ca 0.40 0.66 -0.12 0.00 0.04 0.00 0.00 61.00 61.99 1x6d s PRO 105 Cb -0.20 -1.92 0.19 0.00 0.04 0.00 0.00 34.50 32.61 1x6d s PRO 105 CO 0.79 -1.58 1.08 -1.21 0.04 0.00 0.00 177.00 176.12 1x6d s GLU 106 N -5.15 0.38 -0.14 4.56 0.41 -1.26 -5.02 118.70 112.49 1x6d s GLU 106 Ca 0.61 0.77 -0.11 0.00 -0.41 0.00 0.00 54.97 55.82 1x6d s GLU 106 Cb -0.14 -1.71 -0.04 0.00 -1.78 0.00 0.00 34.13 30.46 1x6d s GLU 106 CO 0.54 -2.83 -0.22 0.00 -0.49 0.00 0.00 175.26 172.27 1x6d n ALA 107 N -4.28 0.55 -2.78 5.21 0.00 -1.26 -4.98 120.51 112.98 1x6d n ALA 107 Ca 0.06 -0.54 -0.02 0.00 0.00 0.00 0.00 53.44 52.94 1x6d n ALA 107 Cb 0.55 0.02 0.02 0.00 0.00 0.00 0.00 19.45 20.04 1x6d n ALA 107 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 1x6d s MET 108 N -2.33 0.49 -0.86 0.00 -1.94 -1.26 -5.04 119.30 108.36 1x6d s MET 108 Ca -0.18 -0.40 -0.07 0.00 -1.71 0.00 0.00 55.69 53.33 1x6d s MET 108 Cb 0.03 0.00 -0.11 0.00 2.01 0.00 0.00 34.83 36.76 1x6d s MET 108 CO 0.27 -0.64 2.59 -0.35 -0.01 0.00 0.00 175.02 176.88 1x6d n PRO 109 N 3.13 2.41 0.00 2.03 -0.04 -1.26 -4.27 135.00 137.00 1x6d n PRO 109 Ca 0.12 -1.47 0.00 0.00 -0.04 0.00 0.00 63.50 62.11 1x6d n PRO 109 Cb 0.61 -2.39 0.00 0.00 -0.04 0.00 0.00 33.50 31.69 1x6d n PRO 109 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1x6d n ASP 110 N 3.54 0.00 0.00 3.54 9.92 -1.26 -5.00 116.55 127.29 1x6d n ASP 110 Ca 0.51 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.77 1x6d n ASP 110 Cb 0.33 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.81 1x6d n ASP 110 CO 0.00 0.00 0.00 0.18 0.13 0.00 0.00 177.20 177.51 1x6d n LEU 111 N 0.00 0.00 -0.03 0.64 4.77 -1.26 -4.60 117.00 116.53 1x6d n LEU 111 Ca 0.00 1.00 -0.02 0.00 -0.03 0.00 0.00 56.01 56.96 1x6d n LEU 111 Cb 0.00 -0.50 -0.01 0.00 -2.33 0.00 0.00 43.42 40.59 1x6d n LEU 111 CO 0.00 -0.50 -0.15 0.59 -1.33 0.00 0.00 177.39 176.00 1x6d n ASN 112 N -2.00 0.61 -3.65 -1.43 3.02 -1.26 -5.10 115.26 105.45 1x6d n ASN 112 Ca 0.00 0.28 -0.01 0.00 -0.03 0.00 0.00 54.58 54.82 1x6d n ASN 112 Cb 0.00 -0.61 -0.01 0.00 -0.61 0.00 0.00 39.78 38.55 1x6d n ASN 112 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 1x6d s SER 113 N -4.38 -0.12 -0.22 6.41 0.15 -1.26 -5.15 113.70 109.13 1x6d s SER 113 Ca -0.07 -0.20 -0.05 0.00 0.70 0.00 0.00 55.95 56.34 1x6d s SER 113 Cb 0.01 0.28 -0.02 0.00 -1.71 0.00 0.00 66.02 64.58 1x6d s SER 113 CO 0.10 -0.51 -0.01 -0.94 1.20 0.00 0.00 173.24 173.08 1x6d s SER 114 N -2.86 4.55 0.00 5.45 1.04 -1.26 -5.02 113.70 115.61 1x6d s SER 114 Ca 0.12 -0.32 0.00 0.00 0.48 0.00 0.00 55.95 56.23 1x6d s SER 114 Cb 0.02 -1.79 0.00 0.00 0.10 0.00 0.00 66.02 64.35 1x6d s SER 114 CO -0.02 -0.01 0.00 0.61 0.98 0.00 0.00 173.24 174.80 1x6d n GLY 115 N 4.72 -1.26 3.76 7.32 0.00 -1.26 -5.18 105.19 113.30 1x6d n GLY 115 Ca -0.18 0.97 -0.30 0.00 0.00 0.00 0.00 46.02 46.51 1x6d n GLY 115 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1x6d s PRO 116 N 0.00 -0.39 0.13 1.61 0.04 -1.26 -5.10 135.00 130.03 1x6d s PRO 116 Ca 0.00 -0.28 -0.25 0.00 0.04 0.00 0.00 61.00 60.51 1x6d s PRO 116 Cb 0.00 -1.71 0.08 0.00 0.04 0.00 0.00 34.50 32.91 1x6d s PRO 116 CO 0.00 -3.12 1.07 -1.54 0.04 0.00 0.00 177.00 173.45 1x6d s SER 117 N -4.43 -0.06 0.24 6.66 1.04 -1.26 -5.19 113.70 110.69 1x6d s SER 117 Ca 0.73 -0.46 -0.15 0.00 0.48 0.00 0.00 55.95 56.55 1x6d s SER 117 Cb -0.06 0.41 0.00 0.00 0.10 0.00 0.00 66.02 66.48 1x6d s SER 117 CO 0.55 -0.79 0.50 -0.94 0.98 0.00 0.00 173.24 173.54 1x6d s SER 118 N -3.22 -0.14 0.00 7.02 1.04 -1.26 -5.37 113.70 111.78 1x6d s SER 118 Ca 0.18 -0.80 0.00 0.00 0.48 0.00 0.00 55.95 55.82 1x6d s SER 118 Cb -0.01 0.59 0.00 0.00 0.10 0.00 0.00 66.02 66.70 1x6d s SER 118 CO 0.02 -1.13 0.00 0.61 0.98 0.00 0.00 173.24 173.72