#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 -0.36 0.01 1.61 0.01 -1.26 -5.17 113.70 108.53 1x6d s SER 2 Ca 0.00 -0.12 -0.29 0.00 1.31 0.00 0.00 55.95 56.85 1x6d s SER 2 Cb 0.00 0.67 0.10 0.00 0.21 0.00 0.00 66.02 67.00 1x6d s SER 2 CO 0.00 -0.05 1.07 -0.94 0.41 0.00 0.00 173.24 173.73 1x6d s SER 3 N 2.23 -0.19 0.00 2.44 1.04 -1.26 -5.17 113.70 112.80 1x6d s SER 3 Ca 0.18 -0.16 0.00 0.00 0.48 0.00 0.00 55.95 56.45 1x6d s SER 3 Cb 0.02 0.32 0.00 0.00 0.10 0.00 0.00 66.02 66.45 1x6d s SER 3 CO -0.17 -0.55 0.00 0.61 0.98 0.00 0.00 173.24 174.11 1x6d n GLY 4 N -0.35 4.11 2.82 7.32 0.00 -1.26 -5.14 105.19 112.70 1x6d n GLY 4 Ca -0.06 -1.10 -0.16 0.00 0.00 0.00 0.00 46.02 44.70 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 0.31 -0.29 1.61 1.04 -1.26 -5.13 113.70 109.97 1x6d s SER 5 Ca 0.00 -0.01 -0.17 0.00 0.48 0.00 0.00 55.95 56.24 1x6d s SER 5 Cb 0.00 -0.15 0.17 0.00 0.10 0.00 0.00 66.02 66.13 1x6d s SER 5 CO 0.00 -0.08 1.10 -0.94 0.98 0.00 0.00 173.24 174.29 1x6d s SER 6 N 0.83 -0.34 0.00 7.02 1.04 -1.26 -5.18 113.70 115.82 1x6d s SER 6 Ca -0.08 0.55 0.00 0.00 0.48 0.00 0.00 55.95 56.90 1x6d s SER 6 Cb -0.11 1.07 0.00 0.00 0.10 0.00 0.00 66.02 67.08 1x6d s SER 6 CO -0.02 -0.09 0.00 0.61 0.98 0.00 0.00 173.24 174.73 1x6d n GLY 7 N 3.29 1.77 2.49 7.32 0.00 -1.26 -5.08 105.19 113.71 1x6d n GLY 7 Ca -0.17 -1.19 -0.28 0.00 0.00 0.00 0.00 46.02 44.38 1x6d n GLY 7 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1x6d s ALA 8 N -1.99 1.49 -0.16 4.61 0.00 -1.26 -5.11 121.76 119.35 1x6d s ALA 8 Ca 0.00 -2.37 -0.16 0.00 0.00 0.00 0.00 51.96 49.43 1x6d s ALA 8 Cb 0.00 -1.67 -0.04 0.00 0.00 0.00 0.00 23.12 21.41 1x6d s ALA 8 CO 0.00 -2.04 0.42 0.99 0.00 0.00 0.00 175.76 175.13 1x6d s THR 9 N 0.32 5.21 -0.21 0.00 2.01 -1.26 -4.65 115.64 117.07 1x6d s THR 9 Ca 0.26 0.78 -0.04 0.00 0.31 0.00 0.00 61.69 63.00 1x6d s THR 9 Cb -0.09 -3.75 0.02 0.00 0.01 0.00 0.00 72.50 68.69 1x6d s THR 9 CO -0.10 0.30 0.09 -0.11 -0.69 0.00 0.00 174.62 174.10 1x6d n LEU 10 N 4.04 -6.65 -0.04 4.42 7.94 -1.26 -4.98 117.00 120.46 1x6d n LEU 10 Ca -0.08 1.61 -0.05 0.00 -1.11 0.00 0.00 56.01 56.38 1x6d n LEU 10 Cb 0.51 -3.01 -0.05 0.00 0.53 0.00 0.00 43.42 41.40 1x6d n LEU 10 CO 0.41 -3.32 -0.78 2.29 -1.11 0.00 0.00 177.39 174.88 1x6d n LYS 11 N 1.27 1.58 0.00 1.96 2.85 -1.26 -5.11 118.16 119.46 1x6d n LYS 11 Ca -0.15 0.02 0.00 0.00 -1.05 0.00 0.00 58.31 57.13 1x6d n LYS 11 Cb 0.29 -1.20 0.00 0.00 -0.65 0.00 0.00 35.03 33.47 1x6d n LYS 11 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 177.40 178.39 1x6d n GLN 12 N -2.52 0.00 -3.58 -1.58 6.02 -1.26 -5.08 117.38 109.38 1x6d n GLN 12 Ca -0.15 0.00 -0.20 0.00 -0.01 0.00 0.00 57.00 56.64 1x6d n GLN 12 Cb 0.72 0.00 -0.15 0.00 1.02 0.00 0.00 30.24 31.83 1x6d n GLN 12 CO 0.00 0.00 0.00 -1.17 -1.01 0.00 0.00 177.06 174.88 1x6d s LEU 13 N 0.00 0.05 -2.00 1.08 1.98 -1.26 -4.80 118.68 113.72 1x6d s LEU 13 Ca 0.00 -0.19 0.00 0.00 -2.89 0.00 0.00 54.13 51.05 1x6d s LEU 13 Cb 0.00 0.15 0.00 0.00 0.66 0.00 0.00 46.19 47.00 1x6d s LEU 13 CO 0.00 -0.31 0.00 0.47 -1.89 0.00 0.00 176.35 174.62 1x6d n ASP 14 N 5.31 -5.39 -2.85 3.68 8.00 -1.26 -1.27 116.55 122.76 1x6d n ASP 14 Ca -0.06 0.40 -0.21 0.00 0.71 0.00 0.00 54.79 55.63 1x6d n ASP 14 Cb 0.49 -4.58 0.04 0.00 -0.02 0.00 0.00 41.12 37.05 1x6d n ASP 14 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1x6d n GLY 15 N -0.65 -0.44 3.74 0.44 0.00 -1.26 -4.93 105.19 102.08 1x6d n GLY 15 Ca -0.20 0.08 -0.38 0.00 0.00 0.00 0.00 46.02 45.52 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 -3.15 5.18 -0.04 -0.61 -1.09 -0.40 -3.54 121.20 117.55 1x6d s ILE 16 Ca 0.30 0.89 -0.01 0.00 -2.23 0.00 0.00 60.65 59.59 1x6d s ILE 16 Cb -0.13 -3.78 0.03 0.00 -1.58 0.00 0.00 42.46 37.00 1x6d s ILE 16 CO 0.37 0.37 0.04 -2.28 -1.23 0.00 0.00 174.94 172.20 1x6d s HIS 17 N 0.35 0.20 0.11 3.97 2.46 0.80 -4.48 115.29 118.69 1x6d s HIS 17 Ca 0.24 0.12 0.02 0.00 0.47 0.00 0.00 55.06 55.92 1x6d s HIS 17 Cb -0.15 -0.48 -0.04 0.00 -0.13 0.00 0.00 32.58 31.78 1x6d s HIS 17 CO 0.10 -0.18 0.20 0.54 -2.47 0.00 0.00 174.74 172.92 1x6d s VAL 18 N 1.75 5.09 -0.09 0.89 0.11 -1.26 -1.19 120.40 125.69 1x6d s VAL 18 Ca 0.00 -0.65 0.04 0.00 -2.93 0.00 0.00 61.98 58.45 1x6d s VAL 18 Cb -0.12 -3.54 -0.00 0.00 -1.53 0.00 0.00 36.38 31.19 1x6d s VAL 18 CO -0.03 0.03 -0.24 -0.89 -3.33 0.00 0.00 175.10 170.64 1x6d s THR 19 N -1.59 2.04 -0.46 5.04 2.01 -0.50 -4.96 115.64 117.22 1x6d s THR 19 Ca 0.33 -1.02 -0.18 0.00 0.31 0.00 0.00 61.69 61.13 1x6d s THR 19 Cb -0.12 -1.76 0.04 0.00 0.01 0.00 0.00 72.50 70.67 1x6d s THR 19 CO 0.26 0.56 0.53 -0.63 -0.69 0.00 0.00 174.62 174.65 1x6d s ILE 20 N 0.28 4.99 -0.12 1.82 -1.09 -1.26 -3.09 121.20 122.72 1x6d s ILE 20 Ca -0.17 -0.39 -0.18 0.00 -2.23 0.00 0.00 60.65 57.68 1x6d s ILE 20 Cb -0.17 -4.16 -0.04 0.00 -1.58 0.00 0.00 42.46 36.51 1x6d s ILE 20 CO 0.08 -0.59 0.49 -0.76 -1.23 0.00 0.00 174.94 172.93 1x6d s LEU 21 N 2.36 4.27 -0.37 2.97 1.02 -0.93 -4.95 118.68 123.05 1x6d s LEU 21 Ca 0.14 0.82 -0.07 0.00 0.02 0.00 0.00 54.13 55.04 1x6d s LEU 21 Cb -0.18 -2.71 0.06 0.00 0.02 0.00 0.00 46.19 43.38 1x6d s LEU 21 CO 0.13 -0.02 0.16 -1.00 0.02 0.00 0.00 176.35 175.64 1x6d s HIS 22 N 0.71 3.31 0.23 0.29 3.76 -1.26 -2.11 115.29 120.22 1x6d s HIS 22 Ca 0.26 -1.55 0.00 0.00 -0.15 0.00 0.00 55.06 53.62 1x6d s HIS 22 Cb -0.15 -2.57 -0.05 0.00 1.11 0.00 0.00 32.58 30.92 1x6d s HIS 22 CO 0.11 -0.79 0.11 -1.59 -0.85 0.00 0.00 174.74 171.73 1x6d s LYS 23 N 1.38 1.31 0.74 1.40 0.00 0.27 -5.01 119.74 119.84 1x6d s LYS 23 Ca 0.01 -1.70 -0.09 0.00 0.00 0.00 0.00 55.97 54.19 1x6d s LYS 23 Cb -0.21 -0.02 0.07 0.00 0.00 0.00 0.00 37.83 37.67 1x6d s LYS 23 CO 0.02 -0.34 1.08 -1.21 0.00 0.00 0.00 175.35 174.90 1x6d s GLU 24 N -4.09 2.12 -0.48 1.78 2.02 -1.26 -4.02 118.70 114.77 1x6d s GLU 24 Ca 0.38 -0.10 -0.31 0.00 0.02 0.00 0.00 54.97 54.96 1x6d s GLU 24 Cb 0.07 -2.08 -0.11 0.00 0.10 0.00 0.00 34.13 32.11 1x6d s GLU 24 CO 0.13 -1.37 2.34 0.39 0.02 0.00 0.00 175.26 176.77 1x6d n GLU 25 N -3.08 1.00 -2.47 1.61 1.02 -1.25 0.54 120.64 118.01 1x6d n GLU 25 Ca 0.08 0.18 -0.08 0.00 -0.02 0.00 0.00 57.16 57.32 1x6d n GLU 25 Cb 0.61 -2.70 0.01 0.00 -0.02 0.00 0.00 31.44 29.34 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 6.29 0.21 0.08 0.62 0.00 -0.50 -4.93 105.19 106.96 1x6d n GLY 26 Ca 0.43 -0.47 -0.12 0.00 0.00 0.00 0.00 46.02 45.86 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 0.37 0.23 0.00 4.61 0.00 -0.01 -3.49 119.26 120.97 1x6d h ALA 27 Ca -0.19 -0.92 0.00 0.00 0.00 0.00 0.00 54.91 53.80 1x6d h ALA 27 Cb 1.13 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.88 1x6d h ALA 27 CO 0.21 1.11 0.00 0.41 0.00 0.00 0.00 179.25 180.98 1x6d n GLY 28 N 1.46 1.75 0.13 0.00 0.00 -1.26 -4.89 105.19 102.38 1x6d n GLY 28 Ca -0.05 -1.91 -0.21 0.00 0.00 0.00 0.00 46.02 43.85 1x6d n GLY 28 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1x6d n LEU 29 N -0.10 2.61 0.00 0.99 4.77 -1.26 -4.82 117.00 119.19 1x6d n LEU 29 Ca 0.00 0.16 0.00 0.00 -0.03 0.00 0.00 56.01 56.14 1x6d n LEU 29 Cb 0.00 -1.04 0.00 0.00 -2.33 0.00 0.00 43.42 40.05 1x6d n LEU 29 CO 0.00 0.80 0.00 0.61 -1.33 0.00 0.00 177.39 177.47 1x6d n GLY 30 N 1.96 1.39 3.35 -0.72 0.00 -1.26 -0.69 105.19 109.22 1x6d n GLY 30 Ca -0.36 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.48 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 1.65 0.37 1.61 -0.71 -1.26 -0.42 117.98 117.22 1x6d s PHE 31 Ca 0.00 -1.08 0.05 0.00 -1.04 0.00 0.00 56.93 54.86 1x6d s PHE 31 Cb 0.00 -1.00 -0.07 0.00 -1.21 0.00 0.00 43.02 40.74 1x6d s PHE 31 CO 0.00 -0.20 0.04 -1.12 -1.34 0.00 0.00 175.22 172.59 1x6d s SER 32 N -3.35 3.12 0.26 1.98 0.01 -0.82 -4.98 113.70 109.91 1x6d s SER 32 Ca 0.36 -1.39 -0.00 0.00 1.31 0.00 0.00 55.95 56.22 1x6d s SER 32 Cb 0.08 -0.19 -0.04 0.00 0.21 0.00 0.00 66.02 66.08 1x6d s SER 32 CO 0.13 -0.56 0.45 -0.76 0.41 0.00 0.00 173.24 172.92 1x6d s LEU 33 N -3.60 4.15 0.02 2.44 1.43 -1.26 -1.86 118.68 119.99 1x6d s LEU 33 Ca 0.34 0.42 -0.02 0.00 -1.03 0.00 0.00 54.13 53.84 1x6d s LEU 33 Cb 0.09 -3.22 -0.02 0.00 0.03 0.00 0.00 46.19 43.07 1x6d s LEU 33 CO 0.16 -0.14 0.01 0.00 0.23 0.00 0.00 176.35 176.62 1x6d s ALA 34 N -2.04 0.04 0.00 4.21 0.00 0.54 -4.20 121.76 120.30 1x6d s ALA 34 Ca 0.39 -0.53 0.00 0.00 0.00 0.00 0.00 51.96 51.82 1x6d s ALA 34 Cb -0.10 0.16 0.00 0.00 0.00 0.00 0.00 23.12 23.17 1x6d s ALA 34 CO 0.31 -0.20 0.00 0.41 0.00 0.00 0.00 175.76 176.29 1x6d n GLY 35 N 1.40 -1.32 0.00 0.00 0.00 -1.26 1.00 105.19 105.01 1x6d n GLY 35 Ca -0.23 -1.54 0.00 0.00 0.00 0.00 0.00 46.02 44.26 1x6d n GLY 35 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1x6d n GLY 36 N -1.12 -0.03 0.17 -0.02 0.00 0.39 -3.82 105.19 100.76 1x6d n GLY 36 Ca 0.00 -0.96 -0.12 0.00 0.00 0.00 0.00 46.02 44.94 1x6d n GLY 36 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1x6d h ALA 37 N 0.00 0.36 0.00 4.61 0.00 -1.41 -2.68 119.26 120.13 1x6d h ALA 37 Ca 0.00 -0.30 -0.05 0.00 0.00 0.00 0.00 54.91 54.56 1x6d h ALA 37 Cb 0.00 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 1x6d h ALA 37 CO 0.00 0.20 -0.24 0.22 0.00 0.00 0.00 179.25 179.43 1x6d h ASP 38 N 0.25 0.00 -2.29 0.00 3.58 -1.85 -3.45 116.42 112.66 1x6d h ASP 38 Ca 0.06 0.00 -0.07 0.00 0.42 0.00 0.00 57.03 57.44 1x6d h ASP 38 Cb 0.59 0.00 0.03 0.00 1.72 0.00 0.00 39.33 41.67 1x6d h ASP 38 CO 0.03 0.24 0.07 0.18 -2.88 0.00 0.00 179.24 176.88 1x6d n LEU 39 N -3.32 0.00 0.08 2.28 4.32 -1.02 -4.98 117.00 114.36 1x6d n LEU 39 Ca 0.01 -0.24 -0.10 0.00 -0.02 0.00 0.00 56.01 55.66 1x6d n LEU 39 Cb 0.48 -0.17 -0.11 0.00 -1.62 0.00 0.00 43.42 42.00 1x6d n LEU 39 CO 0.34 -0.68 0.10 -0.33 -1.22 0.00 0.00 177.39 175.60 1x6d h GLU 40 N 0.00 0.10 -4.85 3.23 5.08 -1.86 -3.41 114.58 112.86 1x6d h GLU 40 Ca -0.07 -0.16 -0.69 0.00 -1.00 0.00 0.00 59.36 57.44 1x6d h GLU 40 Cb 0.20 0.06 -0.19 0.00 0.50 0.00 0.00 28.75 29.32 1x6d h GLU 40 CO 0.05 1.06 0.13 -0.80 -1.00 0.00 0.00 179.01 178.45 1x6d s ASN 41 N -6.87 6.20 0.18 1.42 0.01 -1.25 -4.90 114.94 109.72 1x6d s ASN 41 Ca -0.01 -1.22 -0.13 0.00 -0.71 0.00 0.00 52.86 50.79 1x6d s ASN 41 Cb 0.09 -2.31 0.10 0.00 0.41 0.00 0.00 41.25 39.54 1x6d s ASN 41 CO 0.84 -1.07 1.83 0.11 -1.51 0.00 0.00 177.10 177.29 1x6d h LYS 42 N 9.16 0.65 -5.56 -0.60 1.79 -1.78 1.12 116.57 121.36 1x6d h LYS 42 Ca -0.29 -0.04 -0.61 0.00 -2.18 0.00 0.00 60.65 57.53 1x6d h LYS 42 Cb 1.09 -0.15 -0.11 0.00 -1.58 0.00 0.00 32.23 31.48 1x6d h LYS 42 CO 1.06 0.43 0.21 0.54 -1.08 0.00 0.00 179.45 180.62 1x6d s VAL 43 N -6.14 4.95 0.36 0.50 0.11 -1.26 -3.99 120.40 114.93 1x6d s VAL 43 Ca -0.13 1.14 -0.28 0.00 -2.93 0.00 0.00 61.98 59.77 1x6d s VAL 43 Cb 0.13 -3.98 -0.11 0.00 -1.53 0.00 0.00 36.38 30.89 1x6d s VAL 43 CO 0.74 -0.03 1.43 -0.63 -3.33 0.00 0.00 175.10 173.29 1x6d s ILE 44 N 2.59 2.26 0.32 7.04 1.09 -1.26 -4.69 121.20 128.56 1x6d s ILE 44 Ca 0.27 0.26 0.03 0.00 -1.10 0.00 0.00 60.65 60.12 1x6d s ILE 44 Cb -0.15 -3.17 -0.06 0.00 -1.06 0.00 0.00 42.46 38.02 1x6d s ILE 44 CO 0.09 0.06 0.08 0.42 -0.10 0.00 0.00 174.94 175.49 1x6d s THR 45 N -1.07 0.98 -0.63 2.92 -4.23 0.28 -1.14 115.64 112.75 1x6d s THR 45 Ca 0.52 -2.00 -0.27 0.00 -1.18 0.00 0.00 61.69 58.76 1x6d s THR 45 Cb -0.44 -2.71 -0.00 0.00 1.34 0.00 0.00 72.50 70.69 1x6d s THR 45 CO 0.59 0.00 1.64 -0.69 -0.54 0.00 0.00 174.62 175.62 1x6d s VAL 46 N -3.38 3.52 0.08 2.29 1.01 -1.17 0.20 120.40 122.94 1x6d s VAL 46 Ca 0.35 0.33 -0.31 0.00 0.00 0.00 0.00 61.98 62.35 1x6d s VAL 46 Cb 0.08 -4.27 -0.14 0.00 0.00 0.00 0.00 36.38 32.05 1x6d s VAL 46 CO 0.15 -1.19 1.49 -0.74 0.00 0.00 0.00 175.10 174.81 1x6d h HIS 47 N 13.00 -1.29 -2.78 5.22 2.76 -1.54 -2.52 115.15 128.00 1x6d h HIS 47 Ca -0.27 0.02 -0.09 0.00 -2.20 0.00 0.00 60.37 57.83 1x6d h HIS 47 Cb 1.12 0.52 -0.19 0.00 1.55 0.00 0.00 27.41 30.42 1x6d h HIS 47 CO 1.06 -0.57 -0.10 1.03 -1.30 0.00 0.00 177.93 178.05 1x6d s ARG 48 N -5.48 0.85 -0.49 5.26 3.00 -1.26 -4.68 118.95 116.16 1x6d s ARG 48 Ca -0.15 -0.14 -0.00 0.00 0.00 0.00 0.00 55.73 55.43 1x6d s ARG 48 Cb 0.04 0.39 0.13 0.00 0.00 0.00 0.00 34.95 35.51 1x6d s ARG 48 CO 0.53 -0.27 0.26 0.08 0.00 0.00 0.00 175.30 175.91 1x6d s VAL 49 N -1.70 3.10 0.66 3.52 1.01 -1.26 -1.94 120.40 123.79 1x6d s VAL 49 Ca -0.10 -2.65 -0.16 0.00 0.00 0.00 0.00 61.98 59.07 1x6d s VAL 49 Cb -0.02 -3.11 -0.14 0.00 0.00 0.00 0.00 36.38 33.10 1x6d s VAL 49 CO 0.03 -0.75 -0.38 0.49 0.00 0.00 0.00 175.10 174.49 1x6d n PHE 50 N 3.89 -3.61 0.13 5.22 3.72 0.44 -4.85 117.46 122.39 1x6d n PHE 50 Ca 0.03 0.23 -0.01 0.00 -0.05 0.00 0.00 57.45 57.66 1x6d n PHE 50 Cb 0.38 -1.48 0.12 0.00 -0.94 0.00 0.00 39.48 37.57 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 -0.39 0.00 -3.35 -1.08 0.13 -1.99 -3.38 132.00 121.95 1x6d h PRO 51 Ca -0.39 0.00 -0.66 0.00 -0.87 0.00 0.00 66.00 64.08 1x6d h PRO 51 Cb 1.29 0.00 -0.39 0.00 0.13 0.00 0.00 31.00 32.04 1x6d h PRO 51 CO 0.32 0.66 -0.47 -0.80 -0.23 0.00 0.00 178.00 177.47 1x6d s ASN 52 N -6.69 4.92 0.03 1.44 0.01 -1.26 -4.96 114.94 108.42 1x6d s ASN 52 Ca 0.00 -3.28 -0.01 0.00 -0.71 0.00 0.00 52.86 48.86 1x6d s ASN 52 Cb 0.11 -1.73 0.00 0.00 0.41 0.00 0.00 41.25 40.04 1x6d s ASN 52 CO 0.76 -0.22 0.05 0.61 -1.51 0.00 0.00 177.10 176.79 1x6d n GLY 53 N 2.82 1.91 0.12 0.66 0.00 -1.26 -4.90 105.19 104.55 1x6d n GLY 53 Ca 0.12 -1.03 -0.25 0.00 0.00 0.00 0.00 46.02 44.86 1x6d n GLY 53 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1x6d n LEU 54 N 0.00 2.00 -0.38 0.99 4.77 0.13 -3.44 117.00 121.06 1x6d n LEU 54 Ca -0.01 0.35 0.31 0.00 -0.03 0.00 0.00 56.01 56.63 1x6d n LEU 54 Cb 0.04 -0.90 0.61 0.00 -2.33 0.00 0.00 43.42 40.83 1x6d n LEU 54 CO 0.02 0.47 1.25 0.00 -1.33 0.00 0.00 177.39 177.80 1x6d h ALA 55 N -0.67 2.60 0.03 -1.18 0.00 -1.40 1.35 119.26 119.99 1x6d h ALA 55 Ca -0.53 0.07 -0.27 0.00 0.00 0.00 0.00 54.91 54.18 1x6d h ALA 55 Cb 1.51 0.11 0.02 0.00 0.00 0.00 0.00 17.79 19.43 1x6d h ALA 55 CO -0.29 -1.09 -1.09 1.03 0.00 0.00 0.00 179.25 177.80 1x6d h SER 56 N 0.21 0.85 -0.34 0.00 0.87 -1.80 -2.72 113.55 110.61 1x6d h SER 56 Ca 0.69 -0.71 -0.04 0.00 -1.23 0.00 0.00 61.79 60.50 1x6d h SER 56 Cb 2.11 -0.26 -0.01 0.00 -0.44 0.00 0.00 62.40 63.79 1x6d h SER 56 CO -0.30 1.51 0.04 1.56 -0.53 0.00 0.00 176.83 179.12 1x6d h GLN 57 N 0.34 0.57 -0.33 2.24 4.20 0.13 -3.03 115.11 119.24 1x6d h GLN 57 Ca -0.14 -0.16 0.02 0.00 0.06 0.00 0.00 58.65 58.44 1x6d h GLN 57 Cb 1.75 -0.06 -0.03 0.00 0.30 0.00 0.00 27.48 29.43 1x6d h GLN 57 CO 0.21 0.66 0.16 0.93 -0.67 0.00 0.00 178.83 180.12 1x6d h GLU 58 N 0.40 0.32 0.00 1.46 4.39 0.47 -3.46 114.58 118.17 1x6d h GLU 58 Ca 0.10 -0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.78 1x6d h GLU 58 Cb 0.37 -0.07 0.00 0.00 -0.10 0.00 0.00 28.75 28.95 1x6d h GLU 58 CO 0.01 0.21 0.00 0.41 -1.16 0.00 0.00 179.01 178.48 1x6d n GLY 59 N -1.20 0.94 0.09 -3.84 0.00 -1.03 -4.90 105.19 95.26 1x6d n GLY 59 Ca 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.85 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 1.56 -2.58 2.61 2.02 -1.89 -3.40 112.91 111.23 1x6d h THR 60 Ca 0.00 -2.38 -0.69 0.00 0.77 0.00 0.00 66.41 64.10 1x6d h THR 60 Cb 0.00 3.15 -0.18 0.00 -1.74 0.00 0.00 68.15 69.38 1x6d h THR 60 CO 0.00 0.61 0.70 -0.63 0.37 0.00 0.00 175.52 176.57 1x6d s ILE 61 N -2.31 4.78 -0.18 3.11 1.01 -1.25 -5.00 121.20 121.36 1x6d s ILE 61 Ca -0.19 -1.52 -0.05 0.00 0.00 0.00 0.00 60.65 58.89 1x6d s ILE 61 Cb -0.00 -4.73 -0.03 0.00 0.01 0.00 0.00 42.46 37.71 1x6d s ILE 61 CO 0.72 -1.44 0.01 -1.10 0.00 0.00 0.00 174.94 173.13 1x6d s GLN 62 N 2.59 3.78 0.02 2.79 -0.21 -1.26 -4.54 119.66 122.82 1x6d s GLN 62 Ca 0.29 -0.45 -0.39 0.00 0.02 0.00 0.00 55.36 54.83 1x6d s GLN 62 Cb -0.07 -3.07 -0.20 0.00 1.00 0.00 0.00 33.01 30.67 1x6d s GLN 62 CO -0.07 0.20 1.06 0.36 -2.12 0.00 0.00 175.29 174.72 1x6d n LYS 63 N 3.69 0.09 0.00 2.91 2.85 -1.26 -0.25 118.16 126.19 1x6d n LYS 63 Ca -0.17 0.03 0.00 0.00 -1.05 0.00 0.00 58.31 57.12 1x6d n LYS 63 Cb 0.52 -1.51 0.00 0.00 -0.65 0.00 0.00 35.03 33.39 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 1.60 2.72 3.49 2.58 0.00 -0.95 -5.00 105.19 109.62 1x6d n GLY 64 Ca 0.20 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.92 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 -1.34 0.37 -0.19 1.61 0.02 0.65 -4.82 114.94 111.25 1x6d s ASN 65 Ca 0.00 0.87 -0.03 0.00 -1.02 0.00 0.00 52.86 52.68 1x6d s ASN 65 Cb 0.00 -1.27 -0.02 0.00 0.02 0.00 0.00 41.25 39.99 1x6d s ASN 65 CO 0.00 -4.49 -0.05 -0.70 0.02 0.00 0.00 177.10 171.88 1x6d s GLU 66 N -5.12 3.48 -0.26 -0.60 2.12 -1.26 -3.05 118.70 113.99 1x6d s GLU 66 Ca 0.69 -0.60 -0.17 0.00 0.36 0.00 0.00 54.97 55.26 1x6d s GLU 66 Cb -0.14 -2.93 -0.03 0.00 0.26 0.00 0.00 34.13 31.29 1x6d s GLU 66 CO 0.58 0.01 0.45 0.08 -0.54 0.00 0.00 175.26 175.84 1x6d s VAL 67 N 0.95 5.12 -0.19 3.70 1.01 -0.29 -4.13 120.40 126.56 1x6d s VAL 67 Ca -0.00 0.74 -0.22 0.00 0.00 0.00 0.00 61.98 62.50 1x6d s VAL 67 Cb -0.15 -3.77 -0.21 0.00 0.00 0.00 0.00 36.38 32.26 1x6d s VAL 67 CO 0.01 0.12 0.31 -0.07 0.00 0.00 0.00 175.10 175.46 1x6d h LEU 68 N 8.69 0.03 -7.13 3.92 3.38 -1.62 -3.38 115.31 119.20 1x6d h LEU 68 Ca -0.30 -0.60 -0.02 0.00 0.09 0.00 0.00 57.88 57.04 1x6d h LEU 68 Cb 1.15 -0.01 -0.12 0.00 0.09 0.00 0.00 40.66 41.77 1x6d h LEU 68 CO 0.68 1.45 0.15 -0.94 0.09 0.00 0.00 178.44 179.87 1x6d s SER 69 N -6.79 -0.49 -0.11 -0.43 1.04 -1.25 -3.03 113.70 102.65 1x6d s SER 69 Ca -0.27 -0.10 -0.01 0.00 0.48 0.00 0.00 55.95 56.05 1x6d s SER 69 Cb 0.05 0.58 0.03 0.00 0.10 0.00 0.00 66.02 66.78 1x6d s SER 69 CO 0.62 -0.96 -0.01 -0.63 0.98 0.00 0.00 173.24 173.23 1x6d s ILE 70 N -3.77 0.57 -0.23 -1.02 1.01 -0.79 -2.56 121.20 114.42 1x6d s ILE 70 Ca 0.02 -0.11 0.00 0.00 0.00 0.00 0.00 60.65 60.56 1x6d s ILE 70 Cb -0.01 -0.76 0.00 0.00 0.01 0.00 0.00 42.46 41.71 1x6d s ILE 70 CO -0.12 0.20 0.00 -3.20 0.00 0.00 0.00 174.94 171.82 1x6d n ASN 71 N 5.08 -4.38 0.00 3.58 2.85 0.52 -1.42 115.26 121.48 1x6d n ASN 71 Ca -0.09 0.05 0.00 0.00 -0.11 0.00 0.00 54.58 54.44 1x6d n ASN 71 Cb 0.49 -2.06 0.00 0.00 1.24 0.00 0.00 39.78 39.45 1x6d n ASN 71 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1x6d n GLY 72 N -1.24 0.33 3.59 8.20 0.00 -1.26 -4.90 105.19 109.91 1x6d n GLY 72 Ca -0.02 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.58 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 -0.86 3.39 0.22 1.61 2.36 -0.51 -4.98 119.74 120.96 1x6d s LYS 73 Ca 0.00 0.73 -0.27 0.00 -2.55 0.00 0.00 55.97 53.88 1x6d s LYS 73 Cb 0.00 -4.10 -0.09 0.00 -1.05 0.00 0.00 37.83 32.59 1x6d s LYS 73 CO 0.00 -1.81 0.86 0.45 1.55 0.00 0.00 175.35 176.39 1x6d s SER 74 N 4.51 7.47 -0.94 1.43 0.15 -1.26 -1.88 113.70 123.17 1x6d s SER 74 Ca 0.59 1.77 -0.21 0.00 0.70 0.00 0.00 55.95 58.80 1x6d s SER 74 Cb -0.13 -2.55 0.09 0.00 -1.71 0.00 0.00 66.02 61.72 1x6d s SER 74 CO 0.29 0.15 1.26 -0.76 1.20 0.00 0.00 173.24 175.38 1x6d s LEU 75 N -1.31 4.25 -0.05 3.45 1.43 -1.17 -4.78 118.68 120.51 1x6d s LEU 75 Ca 0.40 -1.64 0.08 0.00 -1.03 0.00 0.00 54.13 51.93 1x6d s LEU 75 Cb -0.23 -2.48 0.31 0.00 0.03 0.00 0.00 46.19 43.82 1x6d s LEU 75 CO 0.28 -1.32 1.14 2.29 0.23 0.00 0.00 176.35 178.97 1x6d n LYS 76 N 7.77 2.16 0.00 1.70 -0.00 -1.26 -4.68 118.16 123.85 1x6d n LYS 76 Ca 0.25 -1.23 0.00 0.00 -0.00 0.00 0.00 58.31 57.33 1x6d n LYS 76 Cb 0.50 -1.51 0.00 0.00 -0.00 0.00 0.00 35.03 34.01 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 0.66 1.98 3.77 2.58 0.00 -1.26 -5.12 105.19 107.80 1x6d n GLY 77 Ca 0.11 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.77 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 2.95 0.78 2.61 2.01 -1.26 -4.35 115.64 116.38 1x6d s THR 78 Ca 0.00 0.62 -0.12 0.00 0.31 0.00 0.00 61.69 62.51 1x6d s THR 78 Cb 0.00 -3.27 0.06 0.00 0.01 0.00 0.00 72.50 69.30 1x6d s THR 78 CO 0.00 -0.10 1.12 0.42 -0.69 0.00 0.00 174.62 175.37 1x6d s THR 79 N -1.65 2.84 0.31 -0.82 -4.23 -1.26 -1.55 115.64 109.27 1x6d s THR 79 Ca 0.72 0.27 0.05 0.00 -1.18 0.00 0.00 61.69 61.56 1x6d s THR 79 Cb -0.27 -3.17 0.30 0.00 1.34 0.00 0.00 72.50 70.70 1x6d s THR 79 CO 0.31 -0.36 1.81 -0.74 -0.54 0.00 0.00 174.62 175.10 1x6d h HIS 80 N -0.98 1.05 0.41 3.99 2.76 -1.88 1.29 115.15 121.79 1x6d h HIS 80 Ca -0.46 0.03 -0.02 0.00 -2.20 0.00 0.00 60.37 57.72 1x6d h HIS 80 Cb 1.29 -0.32 0.00 0.00 1.55 0.00 0.00 27.41 29.93 1x6d h HIS 80 CO 0.42 0.31 -0.20 1.25 -1.30 0.00 0.00 177.93 178.41 1x6d h HIS 81 N 0.82 -0.51 -0.07 5.26 -0.00 -1.92 2.51 115.15 121.23 1x6d h HIS 81 Ca 0.54 -0.01 0.02 0.00 -0.00 0.00 0.00 60.37 60.91 1x6d h HIS 81 Cb 0.76 0.17 -0.00 0.00 -0.00 0.00 0.00 27.41 28.34 1x6d h HIS 81 CO -0.00 -0.25 0.22 -0.44 -0.00 0.00 0.00 177.93 177.45 1x6d h ASP 82 N -1.09 0.00 0.17 3.26 5.19 -1.77 1.87 116.42 124.05 1x6d h ASP 82 Ca -0.06 0.00 -0.20 0.00 -0.62 0.00 0.00 57.03 56.16 1x6d h ASP 82 Cb 0.49 0.00 -0.04 0.00 0.18 0.00 0.00 39.33 39.96 1x6d h ASP 82 CO 0.09 0.00 -2.02 0.00 -3.12 0.00 0.00 179.24 174.20 1x6d n ALA 83 N -2.08 2.05 -0.07 3.45 0.00 0.44 -3.46 120.51 120.84 1x6d n ALA 83 Ca -0.01 -0.87 -0.15 0.00 0.00 0.00 0.00 53.44 52.42 1x6d n ALA 83 Cb 0.30 -0.56 -0.13 0.00 0.00 0.00 0.00 19.45 19.05 1x6d n ALA 83 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1x6d h LEU 84 N 0.00 0.01 0.13 0.00 7.12 0.92 -3.09 115.31 120.40 1x6d h LEU 84 Ca -0.27 -0.95 0.01 0.00 0.13 0.00 0.00 57.88 56.79 1x6d h LEU 84 Cb 1.66 -0.00 -0.01 0.00 -0.53 0.00 0.00 40.66 41.78 1x6d h LEU 84 CO 0.02 1.06 -0.14 0.00 -0.13 0.00 0.00 178.44 179.25 1x6d h ALA 85 N -0.04 -0.26 -1.03 1.25 0.00 0.24 -0.83 119.26 118.59 1x6d h ALA 85 Ca -0.04 -0.03 0.26 0.00 0.00 0.00 0.00 54.91 55.10 1x6d h ALA 85 Cb 1.05 0.20 -0.10 0.00 0.00 0.00 0.00 17.79 18.94 1x6d h ALA 85 CO -0.01 -0.67 0.65 0.82 0.00 0.00 0.00 179.25 180.04 1x6d h ILE 86 N -0.30 0.53 -0.32 0.00 2.04 -1.70 1.17 117.51 118.94 1x6d h ILE 86 Ca 0.01 -0.15 -0.11 0.00 1.00 0.00 0.00 64.86 65.61 1x6d h ILE 86 Cb 0.29 0.05 -0.01 0.00 -0.74 0.00 0.00 36.82 36.40 1x6d h ILE 86 CO -0.05 0.08 -0.26 0.25 0.00 0.00 0.00 178.15 178.18 1x6d h LEU 87 N 0.44 0.65 -0.25 1.44 7.12 -1.12 -0.47 115.31 123.13 1x6d h LEU 87 Ca 0.61 -0.24 0.00 0.00 0.13 0.00 0.00 57.88 58.38 1x6d h LEU 87 Cb 1.43 -0.18 0.00 0.00 -0.53 0.00 0.00 40.66 41.38 1x6d h LEU 87 CO -0.34 0.89 0.00 0.54 -0.13 0.00 0.00 178.44 179.40 1x6d n ARG 88 N -4.10 0.08 -0.08 1.25 1.74 0.39 -2.34 116.66 113.59 1x6d n ARG 88 Ca -0.00 0.30 -0.11 0.00 -0.77 0.00 0.00 57.85 57.27 1x6d n ARG 88 Cb 0.43 -1.64 -0.15 0.00 -1.02 0.00 0.00 32.46 30.08 1x6d n ARG 88 CO 0.00 0.00 0.00 1.04 -1.52 0.00 0.00 177.63 177.15 1x6d n GLN 89 N -1.79 0.68 0.00 5.56 6.02 -0.38 -4.03 117.38 123.44 1x6d n GLN 89 Ca 0.03 0.07 0.05 0.00 -0.01 0.00 0.00 57.00 57.15 1x6d n GLN 89 Cb 0.21 -1.58 0.25 0.00 1.02 0.00 0.00 30.24 30.14 1x6d n GLN 89 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1x6d n ALA 90 N -2.76 1.56 1.00 -1.58 0.00 -0.28 -0.68 120.51 117.77 1x6d n ALA 90 Ca -0.31 -0.04 0.10 0.00 0.00 0.00 0.00 53.44 53.19 1x6d n ALA 90 Cb 1.12 -1.18 -0.06 0.00 0.00 0.00 0.00 19.45 19.33 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 -1.44 0.15 -0.25 0.00 1.85 -1.19 -4.28 116.66 111.50 1x6d n ARG 91 Ca 0.03 -0.12 -0.03 0.00 -1.00 0.00 0.00 57.85 56.73 1x6d n ARG 91 Cb 0.12 -1.50 0.08 0.00 -1.05 0.00 0.00 32.46 30.11 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 0.29 0.85 0.00 2.89 4.39 -1.06 -1.32 114.58 120.62 1x6d h GLU 92 Ca 0.00 -0.05 0.00 0.00 0.34 0.00 0.00 59.36 59.65 1x6d h GLU 92 Cb 0.53 -0.19 0.00 0.00 -0.10 0.00 0.00 28.75 28.99 1x6d h GLU 92 CO 0.00 0.56 0.00 -0.35 -1.16 0.00 0.00 179.01 178.06 1x6d n PRO 93 N -4.66 0.58 0.00 2.33 -0.04 -1.26 -2.35 135.00 129.60 1x6d n PRO 93 Ca 0.08 0.00 0.07 0.00 -0.04 0.00 0.00 63.50 63.61 1x6d n PRO 93 Cb 0.09 0.00 -0.03 0.00 -0.04 0.00 0.00 33.50 33.52 1x6d n PRO 93 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1x6d n ARG 94 N -0.35 2.08 -4.15 0.54 1.74 -1.26 -3.18 116.66 112.09 1x6d n ARG 94 Ca 0.00 -0.47 -0.12 0.00 -0.77 0.00 0.00 57.85 56.49 1x6d n ARG 94 Cb 0.00 -1.18 -0.10 0.00 -1.02 0.00 0.00 32.46 30.15 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 -1.92 0.79 -0.03 5.56 0.74 -1.26 0.96 119.66 124.49 1x6d s GLN 95 Ca 0.09 -1.19 -0.06 0.00 0.05 0.00 0.00 55.36 54.25 1x6d s GLN 95 Cb 0.11 -0.31 0.01 0.00 1.10 0.00 0.00 33.01 33.92 1x6d s GLN 95 CO 0.43 0.02 0.14 0.00 -0.55 0.00 0.00 175.29 175.32 1x6d s ALA 96 N -2.93 -0.33 -0.21 1.58 0.00 -0.90 -4.83 121.76 114.14 1x6d s ALA 96 Ca 0.06 0.13 0.01 0.00 0.00 0.00 0.00 51.96 52.16 1x6d s ALA 96 Cb 0.00 -0.07 0.03 0.00 0.00 0.00 0.00 23.12 23.08 1x6d s ALA 96 CO -0.03 -0.14 -0.15 0.08 0.00 0.00 0.00 175.76 175.53 1x6d s VAL 97 N -0.64 2.29 -0.21 0.00 1.01 -1.26 -2.19 120.40 119.40 1x6d s VAL 97 Ca -0.07 -1.08 0.01 0.00 0.00 0.00 0.00 61.98 60.83 1x6d s VAL 97 Cb -0.04 -2.09 0.05 0.00 0.00 0.00 0.00 36.38 34.30 1x6d s VAL 97 CO 0.01 0.35 -0.08 -0.63 0.00 0.00 0.00 175.10 174.75 1x6d s ILE 98 N 1.26 1.56 -0.30 2.22 1.09 -1.18 0.19 121.20 126.04 1x6d s ILE 98 Ca 0.01 -1.08 -0.18 0.00 -1.10 0.00 0.00 60.65 58.30 1x6d s ILE 98 Cb -0.15 -1.73 -0.02 0.00 -1.06 0.00 0.00 42.46 39.51 1x6d s ILE 98 CO -0.09 0.04 0.50 -0.69 -0.10 0.00 0.00 174.94 174.60 1x6d s VAL 99 N 1.41 5.05 0.05 2.92 1.01 -1.06 -1.41 120.40 128.37 1x6d s VAL 99 Ca -0.03 0.61 0.01 0.00 0.00 0.00 0.00 61.98 62.56 1x6d s VAL 99 Cb -0.17 -3.88 -0.03 0.00 0.00 0.00 0.00 36.38 32.30 1x6d s VAL 99 CO -0.07 -0.05 -0.05 0.42 0.00 0.00 0.00 175.10 175.35 1x6d s THR 100 N 2.34 0.35 0.23 3.92 -4.23 -0.34 -1.85 115.64 116.06 1x6d s THR 100 Ca 0.20 -1.38 0.10 0.00 -1.18 0.00 0.00 61.69 59.43 1x6d s THR 100 Cb -0.15 -0.95 -0.05 0.00 1.34 0.00 0.00 72.50 72.69 1x6d s THR 100 CO 0.11 -0.68 -0.14 0.00 -0.54 0.00 0.00 174.62 173.38 1x6d s ARG 101 N -2.60 1.88 -0.43 3.99 3.03 -1.26 -0.14 118.95 123.43 1x6d s ARG 101 Ca -0.03 -1.50 -0.29 0.00 2.03 0.00 0.00 55.73 55.94 1x6d s ARG 101 Cb -0.02 -1.98 0.03 0.00 -1.03 0.00 0.00 34.95 31.95 1x6d s ARG 101 CO -0.04 0.38 1.11 0.15 -1.13 0.00 0.00 175.30 175.77 1x6d s LYS 102 N -3.17 3.83 0.79 3.89 -0.14 -1.23 -4.57 119.74 119.14 1x6d s LYS 102 Ca 0.27 0.71 -0.04 0.00 -1.36 0.00 0.00 55.97 55.55 1x6d s LYS 102 Cb -0.07 -3.85 0.16 0.00 -1.68 0.00 0.00 37.83 32.39 1x6d s LYS 102 CO 0.15 -1.22 1.09 1.28 -0.76 0.00 0.00 175.35 175.89 1x6d n LEU 103 N 7.50 0.00 -3.66 3.17 4.77 -1.26 -5.01 117.00 122.51 1x6d n LEU 103 Ca 0.12 -1.98 -0.33 0.00 -0.03 0.00 0.00 56.01 53.79 1x6d n LEU 103 Cb 0.48 -0.74 0.02 0.00 -2.33 0.00 0.00 43.42 40.85 1x6d n LEU 103 CO 0.67 -1.10 -0.77 0.35 -1.33 0.00 0.00 177.39 175.21 1x6d n THR 104 N -3.10 0.00 -1.20 -5.08 -2.24 -1.26 -4.94 114.28 96.47 1x6d n THR 104 Ca 0.17 -0.44 -0.18 0.00 -2.27 0.00 0.00 64.05 61.33 1x6d n THR 104 Cb 0.59 0.00 0.14 0.00 -2.10 0.00 0.00 70.33 68.96 1x6d n THR 104 CO 0.00 0.00 0.00 -0.81 -0.57 0.00 0.00 175.07 173.69 1x6d n PRO 105 N 1.62 -1.53 -0.06 -0.78 -0.04 -1.26 -5.02 135.00 127.93 1x6d n PRO 105 Ca 0.04 -1.15 -0.05 0.00 -0.04 0.00 0.00 63.50 62.30 1x6d n PRO 105 Cb 0.44 -0.90 -0.09 0.00 -0.04 0.00 0.00 33.50 32.90 1x6d n PRO 105 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 1x6d n GLU 106 N -3.10 1.99 -2.20 0.54 0.00 -1.26 -5.10 120.64 111.50 1x6d n GLU 106 Ca 0.10 -0.01 0.00 0.00 0.00 0.00 0.00 57.16 57.25 1x6d n GLU 106 Cb 0.35 -1.30 0.00 0.00 0.00 0.00 0.00 31.44 30.49 1x6d n GLU 106 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1x6d n ALA 107 N -2.42 -2.08 -3.51 -1.84 0.00 -1.26 -5.08 120.51 104.31 1x6d n ALA 107 Ca -0.19 0.46 -0.17 0.00 0.00 0.00 0.00 53.44 53.54 1x6d n ALA 107 Cb 0.86 -1.38 -0.06 0.00 0.00 0.00 0.00 19.45 18.87 1x6d n ALA 107 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1x6d s MET 108 N -0.73 1.07 -0.65 0.00 0.23 -1.26 -5.11 119.30 112.85 1x6d s MET 108 Ca 0.00 0.18 -0.27 0.00 -1.03 0.00 0.00 55.69 54.57 1x6d s MET 108 Cb 0.00 0.50 0.01 0.00 -1.53 0.00 0.00 34.83 33.81 1x6d s MET 108 CO 0.00 -0.35 1.55 -1.25 -2.03 0.00 0.00 175.02 172.94 1x6d s PRO 109 N -1.45 2.99 -0.30 3.16 0.04 -1.26 -4.96 135.00 133.21 1x6d s PRO 109 Ca -0.09 0.26 -0.25 0.00 0.04 0.00 0.00 61.00 60.96 1x6d s PRO 109 Cb -0.00 -4.25 0.00 0.00 0.04 0.00 0.00 34.50 30.29 1x6d s PRO 109 CO 0.07 -2.34 0.86 0.34 0.04 0.00 0.00 177.00 175.97 1x6d s ASP 110 N 5.67 6.74 1.08 6.66 -1.08 -1.26 -5.04 116.67 129.44 1x6d s ASP 110 Ca 0.52 0.78 -0.13 0.00 -0.52 0.00 0.00 52.55 53.21 1x6d s ASP 110 Cb -0.11 -2.44 0.18 0.00 -1.46 0.00 0.00 42.92 39.09 1x6d s ASP 110 CO 0.19 -0.66 0.84 0.18 0.52 0.00 0.00 175.17 176.24 1x6d n LEU 111 N 6.33 0.00 -1.28 -1.34 4.32 -1.26 -4.92 117.00 118.85 1x6d n LEU 111 Ca 0.06 -0.91 0.16 0.00 -0.02 0.00 0.00 56.01 55.30 1x6d n LEU 111 Cb 0.48 -0.69 -0.08 0.00 -1.62 0.00 0.00 43.42 41.51 1x6d n LEU 111 CO 0.52 -1.45 -0.53 -3.20 -1.22 0.00 0.00 177.39 171.51 1x6d n ASN 112 N -3.91 -7.15 0.06 -1.43 5.15 -1.26 -5.02 115.26 101.71 1x6d n ASN 112 Ca 0.11 1.19 0.00 0.00 -0.60 0.00 0.00 54.58 55.28 1x6d n ASN 112 Cb 0.40 -4.33 0.00 0.00 -0.53 0.00 0.00 39.78 35.32 1x6d n ASN 112 CO 0.00 0.00 0.00 -0.24 1.40 0.00 0.00 177.26 178.42 1x6d n SER 113 N -4.08 -0.54 -1.95 1.20 2.88 -1.26 -5.15 113.62 104.71 1x6d n SER 113 Ca -0.07 0.22 0.00 0.00 -1.33 0.00 0.00 58.87 57.69 1x6d n SER 113 Cb 0.61 0.66 0.00 0.00 -0.75 0.00 0.00 64.21 64.73 1x6d n SER 113 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1x6d n SER 114 N -2.84 -8.72 -2.68 -3.46 7.64 -1.26 -5.06 113.62 97.23 1x6d n SER 114 Ca 0.00 1.31 -0.04 0.00 1.01 0.00 0.00 58.87 61.15 1x6d n SER 114 Cb 0.00 -4.86 0.04 0.00 -1.01 0.00 0.00 64.21 58.39 1x6d n SER 114 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1x6d n GLY 115 N 1.55 -1.53 3.63 0.23 0.00 -1.26 -5.17 105.19 102.64 1x6d n GLY 115 Ca 0.00 1.10 -0.29 0.00 0.00 0.00 0.00 46.02 46.83 1x6d n GLY 115 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1x6d n PRO 116 N 2.33 -2.18 -3.60 1.61 -0.04 -1.26 -5.10 135.00 126.76 1x6d n PRO 116 Ca 0.10 -1.88 -0.11 0.00 -0.04 0.00 0.00 63.50 61.57 1x6d n PRO 116 Cb 0.65 -1.48 -0.04 0.00 -0.04 0.00 0.00 33.50 32.59 1x6d n PRO 116 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1x6d s SER 117 N -5.12 -0.30 0.15 3.54 0.15 -1.26 -5.18 113.70 105.68 1x6d s SER 117 Ca 0.72 -0.22 0.09 0.00 0.70 0.00 0.00 55.95 57.25 1x6d s SER 117 Cb -0.04 0.49 -0.04 0.00 -1.71 0.00 0.00 66.02 64.72 1x6d s SER 117 CO 0.53 -0.85 -0.21 -0.55 1.20 0.00 0.00 173.24 173.35 1x6d s SER 118 N -2.70 2.87 0.00 5.45 0.15 -1.26 -5.37 113.70 112.84 1x6d s SER 118 Ca 0.02 -0.80 0.00 0.00 0.70 0.00 0.00 55.95 55.86 1x6d s SER 118 Cb 0.01 -0.18 0.00 0.00 -1.71 0.00 0.00 66.02 64.14 1x6d s SER 118 CO -0.11 0.05 0.00 0.61 1.20 0.00 0.00 173.24 174.98