#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 -0.31 -0.56 1.61 0.01 -1.26 -5.11 113.70 108.07 1x6d s SER 2 Ca 0.00 0.58 -0.14 0.00 1.31 0.00 0.00 55.95 57.70 1x6d s SER 2 Cb 0.00 0.61 0.14 0.00 0.21 0.00 0.00 66.02 66.98 1x6d s SER 2 CO 0.00 -0.13 0.50 -0.55 0.41 0.00 0.00 173.24 173.48 1x6d s SER 3 N 0.07 6.16 0.71 2.44 0.15 -1.26 -5.05 113.70 116.92 1x6d s SER 3 Ca -0.01 -1.94 -0.03 0.00 0.70 0.00 0.00 55.95 54.68 1x6d s SER 3 Cb -0.02 -2.17 0.09 0.00 -1.71 0.00 0.00 66.02 62.20 1x6d s SER 3 CO 0.01 -0.79 0.55 0.61 1.20 0.00 0.00 173.24 174.82 1x6d n GLY 4 N 5.01 0.00 2.77 9.45 0.00 -1.26 -5.13 105.19 116.04 1x6d n GLY 4 Ca -0.09 -1.89 -0.11 0.00 0.00 0.00 0.00 46.02 43.93 1x6d n GLY 4 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1x6d n SER 5 N -3.12 -1.26 -4.67 1.61 3.41 -1.26 -5.10 113.62 103.24 1x6d n SER 5 Ca 0.08 -2.47 -0.59 0.00 -0.26 0.00 0.00 58.87 55.63 1x6d n SER 5 Cb 0.29 2.27 -0.08 0.00 -0.26 0.00 0.00 64.21 66.42 1x6d n SER 5 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 1x6d n SER 6 N -1.66 2.03 0.00 4.04 2.88 -1.26 -4.49 113.62 115.17 1x6d n SER 6 Ca -0.01 1.01 0.00 0.00 -1.33 0.00 0.00 58.87 58.54 1x6d n SER 6 Cb 0.47 -1.08 0.00 0.00 -0.75 0.00 0.00 64.21 62.85 1x6d n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1x6d n GLY 7 N 4.60 -0.03 3.60 0.46 0.00 -1.26 -5.09 105.19 107.47 1x6d n GLY 7 Ca 0.31 -2.19 -0.08 0.00 0.00 0.00 0.00 46.02 44.06 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 -2.00 -2.00 -0.06 4.61 0.00 -1.26 -5.12 121.76 115.93 1x6d s ALA 8 Ca 0.00 1.69 -0.35 0.00 0.00 0.00 0.00 51.96 53.30 1x6d s ALA 8 Cb 0.00 -1.01 -0.13 0.00 0.00 0.00 0.00 23.12 21.98 1x6d s ALA 8 CO 0.00 -0.28 1.77 2.41 0.00 0.00 0.00 175.76 179.66 1x6d n THR 9 N 0.77 0.39 -2.26 0.00 -1.04 -1.26 -3.87 114.28 107.01 1x6d n THR 9 Ca -0.08 -0.07 -0.04 0.00 -2.04 0.00 0.00 64.05 61.82 1x6d n THR 9 Cb 0.58 -1.64 -0.03 0.00 -1.82 0.00 0.00 70.33 67.42 1x6d n THR 9 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 1x6d n LEU 10 N 5.56 -4.92 -4.36 -4.42 4.77 -1.26 -4.91 117.00 107.46 1x6d n LEU 10 Ca 0.22 1.65 -0.35 0.00 -0.03 0.00 0.00 56.01 57.50 1x6d n LEU 10 Cb 0.26 -2.62 0.07 0.00 -2.33 0.00 0.00 43.42 38.80 1x6d n LEU 10 CO 0.72 -2.86 -0.25 2.29 -1.33 0.00 0.00 177.39 175.96 1x6d n LYS 11 N 1.21 0.07 -3.73 3.23 2.85 -1.25 -4.94 118.16 115.60 1x6d n LYS 11 Ca -0.30 0.06 -0.37 0.00 -1.05 0.00 0.00 58.31 56.65 1x6d n LYS 11 Cb 0.47 -1.64 -0.11 0.00 -0.65 0.00 0.00 35.03 33.10 1x6d n LYS 11 CO 0.00 0.00 0.00 -0.65 -0.05 0.00 0.00 177.40 176.70 1x6d s GLN 12 N -2.73 2.16 0.00 -1.58 -0.21 -1.26 -5.06 119.66 110.97 1x6d s GLN 12 Ca 0.59 -1.92 0.00 0.00 0.02 0.00 0.00 55.36 54.04 1x6d s GLN 12 Cb -0.30 -3.66 0.00 0.00 1.00 0.00 0.00 33.01 30.05 1x6d s GLN 12 CO 0.65 -1.11 0.00 1.28 -2.12 0.00 0.00 175.29 173.99 1x6d n LEU 13 N 4.47 0.00 -4.24 2.90 7.99 -1.26 -5.07 117.00 121.79 1x6d n LEU 13 Ca -0.01 0.00 -0.43 0.00 -0.01 0.00 0.00 56.01 55.56 1x6d n LEU 13 Cb 0.41 0.00 -0.04 0.00 -0.11 0.00 0.00 43.42 43.67 1x6d n LEU 13 CO 0.35 -0.15 0.34 -1.81 -1.51 0.00 0.00 177.39 174.60 1x6d s ASP 14 N -0.62 6.29 -1.24 -1.43 1.11 -1.26 -4.67 116.67 114.85 1x6d s ASP 14 Ca 0.00 -2.93 -0.09 0.00 0.18 0.00 0.00 52.55 49.71 1x6d s ASP 14 Cb 0.00 -2.08 -0.01 0.00 1.07 0.00 0.00 42.92 41.90 1x6d s ASP 14 CO 0.00 -0.45 0.70 0.61 1.18 0.00 0.00 175.17 177.21 1x6d n GLY 15 N 3.54 -0.63 3.09 0.21 0.00 -1.26 -4.96 105.19 105.18 1x6d n GLY 15 Ca 0.14 0.30 -0.31 0.00 0.00 0.00 0.00 46.02 46.15 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 -3.63 1.80 -0.10 -0.61 -1.09 -1.26 -3.95 121.20 112.35 1x6d s ILE 16 Ca 0.23 -0.79 0.01 0.00 -2.23 0.00 0.00 60.65 57.87 1x6d s ILE 16 Cb -0.07 -1.63 0.02 0.00 -1.58 0.00 0.00 42.46 39.19 1x6d s ILE 16 CO 0.84 0.50 -0.12 -2.28 -1.23 0.00 0.00 174.94 172.65 1x6d s HIS 17 N 1.20 1.73 0.35 3.97 2.46 -1.05 -4.85 115.29 119.09 1x6d s HIS 17 Ca 0.00 -0.82 -0.25 0.00 0.47 0.00 0.00 55.06 54.47 1x6d s HIS 17 Cb -0.14 -1.30 -0.10 0.00 -0.13 0.00 0.00 32.58 30.91 1x6d s HIS 17 CO -0.08 -0.46 0.95 0.08 -2.47 0.00 0.00 174.74 172.76 1x6d s VAL 18 N 1.18 4.24 -0.12 0.89 1.01 -1.26 -3.90 120.40 122.43 1x6d s VAL 18 Ca -0.04 1.73 -0.00 0.00 0.00 0.00 0.00 61.98 63.67 1x6d s VAL 18 Cb -0.14 -3.90 0.02 0.00 0.00 0.00 0.00 36.38 32.36 1x6d s VAL 18 CO -0.03 0.02 -0.10 -0.89 0.00 0.00 0.00 175.10 174.10 1x6d s THR 19 N -1.76 1.21 -0.45 3.92 2.01 -1.18 -5.03 115.64 114.37 1x6d s THR 19 Ca 0.53 -0.41 -0.16 0.00 0.31 0.00 0.00 61.69 61.97 1x6d s THR 19 Cb -0.16 -1.19 0.04 0.00 0.01 0.00 0.00 72.50 71.21 1x6d s THR 19 CO 0.21 0.40 0.40 -0.63 -0.69 0.00 0.00 174.62 174.31 1x6d s ILE 20 N 1.60 5.17 -0.25 1.82 -1.09 -1.26 -3.44 121.20 123.75 1x6d s ILE 20 Ca 0.04 -0.72 -0.15 0.00 -2.23 0.00 0.00 60.65 57.60 1x6d s ILE 20 Cb -0.13 -4.07 -0.04 0.00 -1.58 0.00 0.00 42.46 36.65 1x6d s ILE 20 CO -0.09 -0.49 0.36 -0.76 -1.23 0.00 0.00 174.94 172.73 1x6d s LEU 21 N 1.88 4.08 -0.40 2.97 1.02 -1.18 -4.98 118.68 122.06 1x6d s LEU 21 Ca 0.07 0.34 -0.15 0.00 0.02 0.00 0.00 54.13 54.42 1x6d s LEU 21 Cb -0.21 -2.42 0.01 0.00 0.02 0.00 0.00 46.19 43.60 1x6d s LEU 21 CO 0.10 -0.13 0.29 -1.00 0.02 0.00 0.00 176.35 175.63 1x6d s HIS 22 N 1.73 3.24 0.20 0.29 3.76 -1.26 -2.97 115.29 120.28 1x6d s HIS 22 Ca 0.16 -0.53 0.05 0.00 -0.15 0.00 0.00 55.06 54.58 1x6d s HIS 22 Cb -0.15 -2.58 -0.02 0.00 1.11 0.00 0.00 32.58 30.94 1x6d s HIS 22 CO 0.09 -0.56 0.17 0.36 -0.85 0.00 0.00 174.74 173.95 1x6d n LYS 23 N 5.16 0.27 -2.45 1.40 0.00 0.18 -5.03 118.16 117.69 1x6d n LYS 23 Ca -0.11 -2.04 -0.24 0.00 -0.00 0.00 0.00 58.31 55.92 1x6d n LYS 23 Cb 0.47 1.66 0.05 0.00 -0.00 0.00 0.00 35.03 37.21 1x6d n LYS 23 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.40 175.57 1x6d s GLU 24 N -2.83 2.44 -0.59 -1.58 -1.05 -1.26 -4.29 118.70 109.54 1x6d s GLU 24 Ca 0.24 -0.49 -0.27 0.00 -0.15 0.00 0.00 54.97 54.30 1x6d s GLU 24 Cb 0.01 -2.34 -0.02 0.00 -0.44 0.00 0.00 34.13 31.34 1x6d s GLU 24 CO 0.17 -0.92 1.88 -1.21 0.95 0.00 0.00 175.26 176.13 1x6d s GLU 25 N -4.98 2.65 0.00 -4.83 2.02 -1.26 -1.25 118.70 111.06 1x6d s GLU 25 Ca 0.58 0.70 0.00 0.00 0.02 0.00 0.00 54.97 56.27 1x6d s GLU 25 Cb -0.10 -4.38 0.00 0.00 0.10 0.00 0.00 34.13 29.74 1x6d s GLU 25 CO 0.41 -2.70 0.00 0.41 0.02 0.00 0.00 175.26 173.41 1x6d n GLY 26 N 5.69 0.72 0.25 -1.39 0.00 0.22 -4.94 105.19 105.74 1x6d n GLY 26 Ca 0.21 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.24 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 1.38 0.00 4.61 0.00 -1.30 -3.49 119.26 120.46 1x6d h ALA 27 Ca 0.00 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.68 1x6d h ALA 27 Cb 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.68 1x6d h ALA 27 CO 0.00 0.43 0.00 0.41 0.00 0.00 0.00 179.25 180.09 1x6d n GLY 28 N -0.77 0.35 0.14 0.00 0.00 -1.26 -4.83 105.19 98.82 1x6d n GLY 28 Ca 0.00 -1.78 -0.21 0.00 0.00 0.00 0.00 46.02 44.03 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 0.49 0.00 0.99 3.38 -1.92 -3.45 115.31 114.79 1x6d h LEU 29 Ca 0.00 -0.89 0.00 0.00 0.09 0.00 0.00 57.88 57.08 1x6d h LEU 29 Cb 0.00 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 40.59 1x6d h LEU 29 CO 0.00 1.78 0.00 0.61 0.09 0.00 0.00 178.44 180.92 1x6d n GLY 30 N 1.91 1.07 3.21 0.83 0.00 -1.26 -1.39 105.19 109.56 1x6d n GLY 30 Ca -0.27 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.62 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 1.16 0.47 1.61 -0.71 -1.26 0.68 117.98 117.92 1x6d s PHE 31 Ca 0.00 -1.26 0.03 0.00 -1.04 0.00 0.00 56.93 54.66 1x6d s PHE 31 Cb 0.00 -0.62 -0.03 0.00 -1.21 0.00 0.00 43.02 41.16 1x6d s PHE 31 CO 0.00 -0.50 0.02 0.45 -1.34 0.00 0.00 175.22 173.86 1x6d s SER 32 N -3.16 3.81 0.20 1.98 0.15 -0.77 -4.99 113.70 110.92 1x6d s SER 32 Ca 0.33 -1.58 0.04 0.00 0.70 0.00 0.00 55.95 55.44 1x6d s SER 32 Cb 0.07 0.29 -0.03 0.00 -1.71 0.00 0.00 66.02 64.64 1x6d s SER 32 CO 0.08 -0.76 0.30 -0.76 1.20 0.00 0.00 173.24 173.30 1x6d s LEU 33 N -3.79 4.25 0.02 3.45 1.43 -1.26 -2.14 118.68 120.64 1x6d s LEU 33 Ca 0.16 0.07 -0.05 0.00 -1.03 0.00 0.00 54.13 53.27 1x6d s LEU 33 Cb 0.04 -2.81 -0.01 0.00 0.03 0.00 0.00 46.19 43.45 1x6d s LEU 33 CO 0.08 -0.01 0.09 0.00 0.23 0.00 0.00 176.35 176.74 1x6d s ALA 34 N -1.89 -0.16 0.00 4.21 0.00 0.51 -4.20 121.76 120.23 1x6d s ALA 34 Ca 0.34 -0.35 0.00 0.00 0.00 0.00 0.00 51.96 51.95 1x6d s ALA 34 Cb -0.10 0.16 0.00 0.00 0.00 0.00 0.00 23.12 23.19 1x6d s ALA 34 CO 0.28 -0.24 0.00 0.41 0.00 0.00 0.00 175.76 176.22 1x6d n GLY 35 N 1.25 -1.02 2.87 0.00 0.00 -1.26 0.12 105.19 107.16 1x6d n GLY 35 Ca -0.22 -1.65 -0.01 0.00 0.00 0.00 0.00 46.02 44.15 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 -1.07 0.61 0.08 -0.02 0.00 -0.32 -4.37 105.19 100.11 1x6d n GLY 36 Ca 0.00 -1.05 -0.16 0.00 0.00 0.00 0.00 46.02 44.81 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 2.00 -0.03 0.00 4.61 0.00 -1.59 -2.91 119.26 121.34 1x6d h ALA 37 Ca -0.18 -0.55 0.00 0.00 0.00 0.00 0.00 54.91 54.17 1x6d h ALA 37 Cb 0.88 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.70 1x6d h ALA 37 CO 0.25 0.12 0.00 -3.47 0.00 0.00 0.00 179.25 176.15 1x6d n ASP 38 N -4.46 0.00 -1.84 0.00 2.03 -1.26 -4.72 116.55 106.30 1x6d n ASP 38 Ca -0.11 0.21 0.00 0.00 0.52 0.00 0.00 54.79 55.41 1x6d n ASP 38 Cb 0.58 -0.37 0.00 0.00 -0.72 0.00 0.00 41.12 40.61 1x6d n ASP 38 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 1x6d n LEU 39 N -1.37 0.00 0.11 -2.67 4.32 -1.21 -5.01 117.00 111.17 1x6d n LEU 39 Ca 0.07 0.00 0.07 0.00 -0.02 0.00 0.00 56.01 56.13 1x6d n LEU 39 Cb 0.18 0.00 0.01 0.00 -1.62 0.00 0.00 43.42 41.99 1x6d n LEU 39 CO 0.16 -0.39 0.12 -0.33 -1.22 0.00 0.00 177.39 175.73 1x6d h GLU 40 N 0.00 0.00 -3.79 3.23 5.08 -1.85 -3.41 114.58 113.85 1x6d h GLU 40 Ca 0.00 0.00 -0.79 0.00 -1.00 0.00 0.00 59.36 57.57 1x6d h GLU 40 Cb 0.00 0.00 -0.26 0.00 0.50 0.00 0.00 28.75 28.99 1x6d h GLU 40 CO 0.00 0.16 0.24 -0.80 -1.00 0.00 0.00 179.01 177.60 1x6d s ASN 41 N -5.78 6.94 0.44 1.42 0.01 -1.25 -4.86 114.94 111.86 1x6d s ASN 41 Ca 0.01 -2.96 0.20 0.00 -0.71 0.00 0.00 52.86 49.39 1x6d s ASN 41 Cb 0.08 -2.22 1.15 0.00 0.41 0.00 0.00 41.25 40.68 1x6d s ASN 41 CO 0.77 -0.50 1.88 0.50 -1.51 0.00 0.00 177.10 178.24 1x6d h LYS 42 N 7.45 0.32 -4.77 -0.60 1.63 -1.74 -0.85 116.57 118.01 1x6d h LYS 42 Ca 0.13 -0.02 -0.67 0.00 -0.85 0.00 0.00 60.65 59.24 1x6d h LYS 42 Cb 0.99 -0.07 -0.20 0.00 -0.60 0.00 0.00 32.23 32.35 1x6d h LYS 42 CO 0.84 0.21 -0.51 0.54 -3.45 0.00 0.00 179.45 177.08 1x6d s VAL 43 N -5.34 5.03 0.52 2.00 0.11 -1.26 -4.37 120.40 117.10 1x6d s VAL 43 Ca -0.07 -0.24 -0.23 0.00 -2.93 0.00 0.00 61.98 58.51 1x6d s VAL 43 Cb 0.22 -3.55 -0.06 0.00 -1.53 0.00 0.00 36.38 31.46 1x6d s VAL 43 CO 0.78 0.06 1.38 -0.38 -3.33 0.00 0.00 175.10 173.61 1x6d n ILE 44 N 5.05 3.58 -4.37 7.04 -0.00 -1.26 -4.76 119.36 124.65 1x6d n ILE 44 Ca -0.13 -0.50 -0.19 0.00 -0.00 0.00 0.00 62.75 61.93 1x6d n ILE 44 Cb 0.50 -1.72 -0.10 0.00 -0.00 0.00 0.00 39.64 38.32 1x6d n ILE 44 CO 0.00 0.00 0.00 0.42 -0.00 0.00 0.00 176.55 176.97 1x6d s THR 45 N -1.26 0.70 -0.61 1.39 -4.23 0.33 -1.44 115.64 110.52 1x6d s THR 45 Ca 0.69 -2.00 -0.27 0.00 -1.18 0.00 0.00 61.69 58.93 1x6d s THR 45 Cb -0.42 -2.65 -0.01 0.00 1.34 0.00 0.00 72.50 70.76 1x6d s THR 45 CO 0.51 0.00 1.68 -0.69 -0.54 0.00 0.00 174.62 175.58 1x6d s VAL 46 N -3.59 3.49 0.08 2.29 1.01 -1.11 0.19 120.40 122.77 1x6d s VAL 46 Ca 0.36 0.33 -0.32 0.00 0.00 0.00 0.00 61.98 62.35 1x6d s VAL 46 Cb 0.07 -4.18 -0.15 0.00 0.00 0.00 0.00 36.38 32.12 1x6d s VAL 46 CO 0.15 -1.10 1.51 -0.74 0.00 0.00 0.00 175.10 174.91 1x6d h HIS 47 N 13.32 -1.32 -3.41 5.22 2.76 -1.60 0.11 115.15 130.23 1x6d h HIS 47 Ca -0.27 0.02 -0.07 0.00 -2.20 0.00 0.00 60.37 57.84 1x6d h HIS 47 Cb 1.13 0.53 -0.15 0.00 1.55 0.00 0.00 27.41 30.47 1x6d h HIS 47 CO 1.05 -0.60 -0.19 1.03 -1.30 0.00 0.00 177.93 177.92 1x6d s ARG 48 N -5.56 0.93 -0.33 5.26 3.00 -1.26 -4.56 118.95 116.42 1x6d s ARG 48 Ca -0.16 -0.66 0.02 0.00 0.00 0.00 0.00 55.73 54.94 1x6d s ARG 48 Cb 0.04 0.40 0.10 0.00 0.00 0.00 0.00 34.95 35.49 1x6d s ARG 48 CO 0.55 -0.33 0.07 0.08 0.00 0.00 0.00 175.30 175.67 1x6d s VAL 49 N -3.27 1.82 0.68 3.52 1.01 -1.26 -1.85 120.40 121.04 1x6d s VAL 49 Ca -0.00 -2.06 -0.18 0.00 0.00 0.00 0.00 61.98 59.75 1x6d s VAL 49 Cb 0.01 -2.36 -0.14 0.00 0.00 0.00 0.00 36.38 33.90 1x6d s VAL 49 CO -0.08 -0.63 -0.28 0.49 0.00 0.00 0.00 175.10 174.60 1x6d n PHE 50 N 4.42 -3.44 0.14 5.22 3.72 0.22 -4.86 117.46 122.88 1x6d n PHE 50 Ca 0.02 0.29 0.01 0.00 -0.05 0.00 0.00 57.45 57.72 1x6d n PHE 50 Cb 0.42 -1.63 0.16 0.00 -0.94 0.00 0.00 39.48 37.49 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 -2.00 -3.37 132.00 122.00 1x6d h PRO 51 Ca -0.42 0.00 -0.66 0.00 -0.87 0.00 0.00 66.00 64.05 1x6d h PRO 51 Cb 1.39 0.00 -0.39 0.00 0.13 0.00 0.00 31.00 32.13 1x6d h PRO 51 CO 0.36 0.57 -0.47 -0.80 -0.23 0.00 0.00 178.00 177.43 1x6d s ASN 52 N -6.60 4.92 0.31 1.44 -0.87 -1.26 -4.97 114.94 107.91 1x6d s ASN 52 Ca 0.01 -3.33 -0.12 0.00 -1.57 0.00 0.00 52.86 47.84 1x6d s ASN 52 Cb 0.11 -1.73 0.05 0.00 -0.02 0.00 0.00 41.25 39.66 1x6d s ASN 52 CO 0.74 -0.21 0.65 0.61 -2.57 0.00 0.00 177.10 176.32 1x6d n GLY 53 N 2.75 1.15 0.11 0.66 0.00 -1.26 -4.92 105.19 103.68 1x6d n GLY 53 Ca 0.12 -1.21 -0.20 0.00 0.00 0.00 0.00 46.02 44.74 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 0.18 -1.90 0.99 4.07 -1.63 -3.08 115.31 113.94 1x6d h LEU 54 Ca -0.27 -0.77 0.29 0.00 0.08 0.00 0.00 57.88 57.22 1x6d h LEU 54 Cb 1.00 -0.06 -0.04 0.00 1.08 0.00 0.00 40.66 42.64 1x6d h LEU 54 CO 0.34 1.46 0.80 0.00 -1.08 0.00 0.00 178.44 179.96 1x6d h ALA 55 N -0.19 2.89 0.19 1.53 0.00 -1.56 1.08 119.26 123.21 1x6d h ALA 55 Ca -0.26 -0.04 -0.32 0.00 0.00 0.00 0.00 54.91 54.29 1x6d h ALA 55 Cb 1.46 0.08 0.02 0.00 0.00 0.00 0.00 17.79 19.34 1x6d h ALA 55 CO -0.05 -1.31 -1.49 1.03 0.00 0.00 0.00 179.25 177.43 1x6d h SER 56 N 0.00 0.64 -0.34 0.00 0.87 -1.82 -2.91 113.55 109.99 1x6d h SER 56 Ca 0.48 -0.75 -0.02 0.00 -1.23 0.00 0.00 61.79 60.26 1x6d h SER 56 Cb 2.07 -0.21 -0.02 0.00 -0.44 0.00 0.00 62.40 63.81 1x6d h SER 56 CO -0.01 1.60 0.14 1.56 -0.53 0.00 0.00 176.83 179.60 1x6d h GLN 57 N 0.11 0.51 -0.18 2.24 4.20 0.11 -2.98 115.11 119.13 1x6d h GLN 57 Ca -0.24 -0.09 -0.00 0.00 0.06 0.00 0.00 58.65 58.37 1x6d h GLN 57 Cb 2.09 -0.08 -0.01 0.00 0.30 0.00 0.00 27.48 29.78 1x6d h GLN 57 CO 0.22 0.50 0.11 1.49 -0.67 0.00 0.00 178.83 180.48 1x6d h GLU 58 N 0.41 0.25 0.00 1.46 4.22 -0.73 -3.46 114.58 116.72 1x6d h GLU 58 Ca 0.11 -0.03 0.00 0.00 0.08 0.00 0.00 59.36 59.53 1x6d h GLU 58 Cb 0.18 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.38 1x6d h GLU 58 CO -0.01 0.23 0.00 0.41 -2.18 0.00 0.00 179.01 177.46 1x6d n GLY 59 N -0.98 0.62 0.11 1.92 0.00 -1.10 -4.92 105.19 100.84 1x6d n GLY 59 Ca -0.04 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.77 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 0.99 -2.39 2.61 2.02 -1.89 -3.42 112.91 110.83 1x6d h THR 60 Ca 0.00 -2.23 -0.67 0.00 0.77 0.00 0.00 66.41 64.28 1x6d h THR 60 Cb 0.00 2.40 -0.16 0.00 -1.74 0.00 0.00 68.15 68.65 1x6d h THR 60 CO 0.00 0.43 0.79 -0.63 0.37 0.00 0.00 175.52 176.48 1x6d s ILE 61 N -2.38 4.58 -0.13 3.11 1.01 -1.26 -4.96 121.20 121.18 1x6d s ILE 61 Ca -0.27 -1.22 -0.03 0.00 0.00 0.00 0.00 60.65 59.14 1x6d s ILE 61 Cb 0.05 -4.77 -0.03 0.00 0.01 0.00 0.00 42.46 37.72 1x6d s ILE 61 CO 0.63 -1.52 -0.02 -1.10 0.00 0.00 0.00 174.94 172.94 1x6d s GLN 62 N 3.17 3.41 0.05 2.79 -0.21 -1.26 -4.66 119.66 122.95 1x6d s GLN 62 Ca 0.31 -0.47 -0.33 0.00 0.02 0.00 0.00 55.36 54.89 1x6d s GLN 62 Cb -0.08 -2.88 -0.17 0.00 1.00 0.00 0.00 33.01 30.88 1x6d s GLN 62 CO -0.04 0.43 0.83 0.36 -2.12 0.00 0.00 175.29 174.74 1x6d n LYS 63 N 2.98 0.00 0.00 2.91 2.85 -1.26 0.48 118.16 126.12 1x6d n LYS 63 Ca -0.18 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.08 1x6d n LYS 63 Cb 0.53 -1.23 0.00 0.00 -0.65 0.00 0.00 35.03 33.68 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 1.47 3.19 3.13 2.58 0.00 0.37 -4.96 105.19 110.97 1x6d n GLY 64 Ca 0.18 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.93 1x6d n GLY 64 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1x6d n ASN 65 N 0.05 -2.75 -4.48 1.61 5.03 0.18 -4.62 115.26 110.28 1x6d n ASN 65 Ca 0.00 -0.26 -0.36 0.00 0.87 0.00 0.00 54.58 54.84 1x6d n ASN 65 Cb 0.00 -0.83 -0.12 0.00 -1.02 0.00 0.00 39.78 37.81 1x6d n ASN 65 CO 0.00 0.00 0.00 -0.70 -1.83 0.00 0.00 177.26 174.73 1x6d s GLU 66 N -3.36 3.70 -0.87 3.52 2.12 -1.26 -2.76 118.70 119.79 1x6d s GLU 66 Ca 0.45 -0.46 -0.15 0.00 0.36 0.00 0.00 54.97 55.17 1x6d s GLU 66 Cb -0.07 -3.26 0.21 0.00 0.26 0.00 0.00 34.13 31.27 1x6d s GLU 66 CO 0.51 -0.07 0.87 0.08 -0.54 0.00 0.00 175.26 176.10 1x6d s VAL 67 N 1.29 5.46 0.08 3.70 1.01 -0.52 -3.92 120.40 127.50 1x6d s VAL 67 Ca 0.05 -2.36 -0.22 0.00 0.00 0.00 0.00 61.98 59.45 1x6d s VAL 67 Cb -0.15 -4.54 -0.12 0.00 0.00 0.00 0.00 36.38 31.57 1x6d s VAL 67 CO 0.03 -1.14 1.64 -0.07 0.00 0.00 0.00 175.10 175.57 1x6d h LEU 68 N 8.25 0.14 -8.23 3.92 3.38 -1.28 -3.39 115.31 118.10 1x6d h LEU 68 Ca 0.13 -0.12 -0.11 0.00 0.09 0.00 0.00 57.88 57.86 1x6d h LEU 68 Cb 1.03 -0.04 -0.12 0.00 0.09 0.00 0.00 40.66 41.62 1x6d h LEU 68 CO 0.84 0.22 -0.29 -0.94 0.09 0.00 0.00 178.44 178.36 1x6d s SER 69 N -5.44 0.00 -0.13 -0.43 1.04 -1.24 -3.07 113.70 104.43 1x6d s SER 69 Ca -0.14 -0.98 -0.03 0.00 0.48 0.00 0.00 55.95 55.28 1x6d s SER 69 Cb 0.06 0.49 0.05 0.00 0.10 0.00 0.00 66.02 66.72 1x6d s SER 69 CO 0.68 -0.99 0.05 -0.63 0.98 0.00 0.00 173.24 173.34 1x6d s ILE 70 N -4.02 0.17 0.00 -1.02 -1.09 -0.01 -3.29 121.20 111.94 1x6d s ILE 70 Ca 0.23 -0.10 0.00 0.00 -2.23 0.00 0.00 60.65 58.55 1x6d s ILE 70 Cb 0.02 -0.61 0.00 0.00 -1.58 0.00 0.00 42.46 40.29 1x6d s ILE 70 CO 0.06 -0.07 0.00 -3.20 -1.23 0.00 0.00 174.94 170.50 1x6d n ASN 71 N 5.19 -3.28 0.00 3.58 4.05 0.40 -2.29 115.26 122.91 1x6d n ASN 71 Ca -0.07 0.00 0.00 0.00 0.45 0.00 0.00 54.58 54.96 1x6d n ASN 71 Cb 0.49 -0.94 0.00 0.00 1.23 0.00 0.00 39.78 40.56 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 -2.36 0.51 3.60 8.20 0.00 -1.21 -4.74 105.19 109.19 1x6d n GLY 72 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.62 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 -0.91 3.93 0.42 1.61 2.20 -0.97 -5.03 119.74 120.99 1x6d s LYS 73 Ca 0.00 0.09 -0.19 0.00 -0.36 0.00 0.00 55.97 55.50 1x6d s LYS 73 Cb 0.00 -3.69 -0.10 0.00 -1.51 0.00 0.00 37.83 32.52 1x6d s LYS 73 CO 0.00 -0.40 0.92 -1.54 -0.36 0.00 0.00 175.35 173.97 1x6d s SER 74 N 1.63 6.87 -0.55 1.43 1.04 -1.26 -0.83 113.70 122.04 1x6d s SER 74 Ca 0.18 1.61 -0.25 0.00 0.48 0.00 0.00 55.95 57.97 1x6d s SER 74 Cb -0.16 -2.51 0.04 0.00 0.10 0.00 0.00 66.02 63.49 1x6d s SER 74 CO 0.10 -0.36 1.00 -0.76 0.98 0.00 0.00 173.24 174.20 1x6d s LEU 75 N -3.26 3.93 -0.03 2.42 1.43 -1.17 -4.85 118.68 117.14 1x6d s LEU 75 Ca 0.60 -0.19 0.09 0.00 -1.03 0.00 0.00 54.13 53.60 1x6d s LEU 75 Cb -0.09 -2.95 0.32 0.00 0.03 0.00 0.00 46.19 43.49 1x6d s LEU 75 CO 0.16 -1.27 1.18 2.29 0.23 0.00 0.00 176.35 178.94 1x6d n LYS 76 N 7.68 2.08 0.00 1.70 -0.00 -1.26 -4.71 118.16 123.65 1x6d n LYS 76 Ca 0.04 -1.26 0.00 0.00 -0.00 0.00 0.00 58.31 57.09 1x6d n LYS 76 Cb 0.48 -1.44 0.00 0.00 -0.00 0.00 0.00 35.03 34.07 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 0.79 1.94 3.74 2.58 0.00 -1.26 -5.10 105.19 107.89 1x6d n GLY 77 Ca 0.11 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 2.41 0.00 0.00 0.00 173.32 175.73 1x6d n THR 78 N -0.21 2.66 -0.45 2.61 -1.04 -1.26 -4.27 114.28 112.31 1x6d n THR 78 Ca 0.00 -0.50 0.00 0.00 -2.04 0.00 0.00 64.05 61.51 1x6d n THR 78 Cb 0.00 -1.77 0.00 0.00 -1.82 0.00 0.00 70.33 66.74 1x6d n THR 78 CO 0.00 0.00 0.00 0.35 -0.64 0.00 0.00 175.07 174.78 1x6d n THR 79 N -0.15 0.00 -0.05 12.58 -2.24 -1.26 -2.06 114.28 121.10 1x6d n THR 79 Ca 0.05 0.00 -0.16 0.00 -2.27 0.00 0.00 64.05 61.68 1x6d n THR 79 Cb 0.41 -1.21 -0.07 0.00 -2.10 0.00 0.00 70.33 67.36 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 -1.14 0.86 0.20 4.78 2.76 -1.93 -2.53 115.15 118.14 1x6d h HIS 80 Ca 0.00 -0.34 -0.01 0.00 -2.20 0.00 0.00 60.37 57.82 1x6d h HIS 80 Cb 0.00 -0.15 0.00 0.00 1.55 0.00 0.00 27.41 28.81 1x6d h HIS 80 CO 0.00 1.13 -0.09 1.25 -1.30 0.00 0.00 177.93 178.91 1x6d h HIS 81 N 0.34 -0.24 -1.60 5.26 -0.00 -1.93 0.69 115.15 117.67 1x6d h HIS 81 Ca -0.01 -0.01 0.46 0.00 -0.00 0.00 0.00 60.37 60.81 1x6d h HIS 81 Cb 1.13 0.08 -0.06 0.00 -0.00 0.00 0.00 27.41 28.56 1x6d h HIS 81 CO 0.09 -0.15 1.21 -0.44 -0.00 0.00 0.00 177.93 178.64 1x6d h ASP 82 N -0.99 0.00 0.00 3.26 3.32 -1.93 0.50 116.42 120.57 1x6d h ASP 82 Ca -0.03 0.00 -0.03 0.00 0.02 0.00 0.00 57.03 56.99 1x6d h ASP 82 Cb 0.20 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.75 1x6d h ASP 82 CO 0.04 0.00 -0.27 0.00 -1.72 0.00 0.00 179.24 177.29 1x6d h ALA 83 N 1.09 0.04 -0.72 3.45 0.00 -1.45 -2.84 119.26 118.83 1x6d h ALA 83 Ca 0.76 -0.39 0.14 0.00 0.00 0.00 0.00 54.91 55.42 1x6d h ALA 83 Cb 3.17 0.21 -0.14 0.00 0.00 0.00 0.00 17.79 21.03 1x6d h ALA 83 CO -0.01 0.20 -0.22 -0.07 0.00 0.00 0.00 179.25 179.15 1x6d h LEU 84 N -1.00 -0.81 0.21 0.00 4.07 0.22 0.30 115.31 118.30 1x6d h LEU 84 Ca -0.05 0.23 0.00 0.00 0.08 0.00 0.00 57.88 58.14 1x6d h LEU 84 Cb 0.53 0.49 -0.02 0.00 1.08 0.00 0.00 40.66 42.75 1x6d h LEU 84 CO -0.03 -0.26 -0.19 0.00 -1.08 0.00 0.00 178.44 176.88 1x6d h ALA 85 N 1.58 -0.40 -1.01 1.53 0.00 -0.44 0.30 119.26 120.82 1x6d h ALA 85 Ca 0.33 -0.06 0.27 0.00 0.00 0.00 0.00 54.91 55.45 1x6d h ALA 85 Cb 0.55 0.27 -0.13 0.00 0.00 0.00 0.00 17.79 18.48 1x6d h ALA 85 CO -0.76 -0.75 0.60 0.82 0.00 0.00 0.00 179.25 179.17 1x6d h ILE 86 N -0.43 0.46 -0.20 0.00 2.04 -0.46 1.50 117.51 120.43 1x6d h ILE 86 Ca -0.00 -0.17 -0.12 0.00 1.00 0.00 0.00 64.86 65.57 1x6d h ILE 86 Cb 0.39 -0.07 -0.01 0.00 -0.74 0.00 0.00 36.82 36.39 1x6d h ILE 86 CO -0.04 0.09 -0.38 0.25 0.00 0.00 0.00 178.15 178.07 1x6d h LEU 87 N 0.49 0.47 -1.24 1.44 7.12 0.61 -1.99 115.31 122.21 1x6d h LEU 87 Ca 0.67 -0.20 0.00 0.00 0.13 0.00 0.00 57.88 58.48 1x6d h LEU 87 Cb 1.40 -0.13 0.00 0.00 -0.53 0.00 0.00 40.66 41.40 1x6d h LEU 87 CO -0.49 0.81 0.00 0.03 -0.13 0.00 0.00 178.44 178.65 1x6d h ARG 88 N 0.37 0.00 0.00 1.25 3.08 0.41 -2.13 114.38 117.36 1x6d h ARG 88 Ca 0.04 0.00 -0.21 0.00 0.07 0.00 0.00 59.98 59.88 1x6d h ARG 88 Cb 0.84 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.86 1x6d h ARG 88 CO 0.07 0.00 -1.34 1.96 -1.07 0.00 0.00 179.97 179.59 1x6d h GLN 89 N 0.00 0.00 0.00 0.04 4.20 -0.26 -3.25 115.11 115.84 1x6d h GLN 89 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1x6d h GLN 89 Cb 0.40 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.18 1x6d h GLN 89 CO 0.00 0.47 0.00 0.00 -0.67 0.00 0.00 178.83 178.63 1x6d n ALA 90 N -2.42 2.42 1.07 3.87 0.00 -0.82 -2.48 120.51 122.16 1x6d n ALA 90 Ca -0.09 -0.13 0.12 0.00 0.00 0.00 0.00 53.44 53.33 1x6d n ALA 90 Cb 0.91 -1.48 0.10 0.00 0.00 0.00 0.00 19.45 18.99 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 -1.33 0.98 -0.01 0.00 1.85 -1.09 -4.19 116.66 112.87 1x6d n ARG 91 Ca 0.13 -0.75 -0.17 0.00 -1.00 0.00 0.00 57.85 56.06 1x6d n ARG 91 Cb 0.25 -1.48 -0.10 0.00 -1.05 0.00 0.00 32.46 30.08 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 1.84 0.40 -7.58 2.89 5.08 -1.59 0.64 114.58 116.27 1x6d h GLU 92 Ca 0.00 -0.39 -0.44 0.00 -1.00 0.00 0.00 59.36 57.53 1x6d h GLU 92 Cb 0.66 0.10 0.16 0.00 0.50 0.00 0.00 28.75 30.18 1x6d h GLU 92 CO 0.00 1.05 0.29 -1.25 -1.00 0.00 0.00 179.01 178.10 1x6d s PRO 93 N -3.35 0.15 0.00 2.33 0.04 -1.26 -2.97 135.00 129.94 1x6d s PRO 93 Ca -0.13 -0.09 0.26 0.00 0.04 0.00 0.00 61.00 61.08 1x6d s PRO 93 Cb 0.04 -1.76 0.65 0.00 0.04 0.00 0.00 34.50 33.47 1x6d s PRO 93 CO 0.81 -2.79 1.50 0.54 0.04 0.00 0.00 177.00 177.10 1x6d n ARG 94 N -4.11 0.99 -4.08 4.56 1.74 -1.26 -4.09 116.66 110.41 1x6d n ARG 94 Ca 0.12 -0.64 -0.14 0.00 -0.77 0.00 0.00 57.85 56.42 1x6d n ARG 94 Cb 0.59 -1.49 -0.12 0.00 -1.02 0.00 0.00 32.46 30.43 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 -2.45 0.53 -0.05 5.56 0.74 -1.26 0.49 119.66 123.22 1x6d s GLN 95 Ca 0.25 -0.69 -0.02 0.00 0.05 0.00 0.00 55.36 54.95 1x6d s GLN 95 Cb 0.19 -0.34 0.04 0.00 1.10 0.00 0.00 33.01 34.00 1x6d s GLN 95 CO 0.51 0.07 0.10 0.00 -0.55 0.00 0.00 175.29 175.42 1x6d s ALA 96 N -1.20 -0.05 -0.32 1.58 0.00 -1.16 -4.91 121.76 115.69 1x6d s ALA 96 Ca -0.08 0.46 -0.12 0.00 0.00 0.00 0.00 51.96 52.22 1x6d s ALA 96 Cb -0.09 -0.52 -0.02 0.00 0.00 0.00 0.00 23.12 22.49 1x6d s ALA 96 CO 0.00 -0.30 0.22 0.08 0.00 0.00 0.00 175.76 175.76 1x6d s VAL 97 N 1.60 5.18 -0.16 0.00 1.01 -1.26 -3.13 120.40 123.64 1x6d s VAL 97 Ca -0.04 -0.17 0.01 0.00 0.00 0.00 0.00 61.98 61.78 1x6d s VAL 97 Cb -0.12 -3.62 0.02 0.00 0.00 0.00 0.00 36.38 32.66 1x6d s VAL 97 CO -0.05 0.05 -0.19 -0.63 0.00 0.00 0.00 175.10 174.29 1x6d s ILE 98 N 1.71 1.93 -0.36 2.22 1.09 -1.22 0.15 121.20 126.72 1x6d s ILE 98 Ca 0.06 -0.87 -0.13 0.00 -1.10 0.00 0.00 60.65 58.61 1x6d s ILE 98 Cb -0.17 -1.75 -0.00 0.00 -1.06 0.00 0.00 42.46 39.48 1x6d s ILE 98 CO 0.10 0.52 0.24 -0.69 -0.10 0.00 0.00 174.94 175.01 1x6d s VAL 99 N 1.22 5.15 0.32 2.92 1.01 -1.21 -3.09 120.40 126.73 1x6d s VAL 99 Ca 0.02 -0.39 0.04 0.00 0.00 0.00 0.00 61.98 61.65 1x6d s VAL 99 Cb -0.14 -3.72 -0.03 0.00 0.00 0.00 0.00 36.38 32.50 1x6d s VAL 99 CO -0.10 -0.09 0.19 0.42 0.00 0.00 0.00 175.10 175.52 1x6d s THR 100 N 1.69 0.25 0.03 3.92 -4.23 -1.25 -0.92 115.64 115.12 1x6d s THR 100 Ca 0.05 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 58.57 1x6d s THR 100 Cb -0.18 -2.48 -0.02 0.00 1.34 0.00 0.00 72.50 71.16 1x6d s THR 100 CO 0.10 0.00 -0.04 0.00 -0.54 0.00 0.00 174.62 174.14 1x6d s ARG 101 N -3.70 0.38 -0.28 3.99 3.03 -1.25 -2.54 118.95 118.56 1x6d s ARG 101 Ca 0.35 -0.69 -0.28 0.00 2.03 0.00 0.00 55.73 57.14 1x6d s ARG 101 Cb 0.04 0.04 -0.03 0.00 -1.03 0.00 0.00 34.95 33.97 1x6d s ARG 101 CO 0.20 -0.04 1.88 0.15 -1.13 0.00 0.00 175.30 176.37 1x6d s LYS 102 N -1.68 3.35 -0.08 3.89 -0.14 -1.25 -4.32 119.74 119.51 1x6d s LYS 102 Ca -0.13 1.62 -0.04 0.00 -1.36 0.00 0.00 55.97 56.06 1x6d s LYS 102 Cb -0.09 -4.22 -0.04 0.00 -1.68 0.00 0.00 37.83 31.80 1x6d s LYS 102 CO -0.01 -1.84 0.09 -0.51 -0.76 0.00 0.00 175.35 172.32 1x6d s LEU 103 N 7.00 4.07 0.39 3.17 1.43 -1.26 -4.98 118.68 128.50 1x6d s LEU 103 Ca 0.84 0.31 0.00 0.00 -1.03 0.00 0.00 54.13 54.25 1x6d s LEU 103 Cb -0.26 -2.08 0.00 0.00 0.03 0.00 0.00 46.19 43.88 1x6d s LEU 103 CO 0.34 0.37 0.00 0.35 0.23 0.00 0.00 176.35 177.63 1x6d n THR 104 N 1.80 -0.49 -1.50 5.49 -2.24 -1.26 -4.89 114.28 111.19 1x6d n THR 104 Ca -0.18 0.56 -0.30 0.00 -2.27 0.00 0.00 64.05 61.86 1x6d n THR 104 Cb 0.54 -0.88 0.23 0.00 -2.10 0.00 0.00 70.33 68.12 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 -4.28 -0.61 -1.38 -0.78 0.04 -1.26 -4.91 135.00 121.83 1x6d s PRO 105 Ca 0.00 -0.36 -0.14 0.00 0.04 0.00 0.00 61.00 60.54 1x6d s PRO 105 Cb 0.00 -1.70 0.07 0.00 0.04 0.00 0.00 34.50 32.92 1x6d s PRO 105 CO 0.00 -3.25 2.00 0.39 0.04 0.00 0.00 177.00 176.18 1x6d n GLU 106 N -4.37 3.09 -2.98 4.56 -0.58 -1.26 -4.88 120.64 114.22 1x6d n GLU 106 Ca 0.16 -2.99 -0.44 0.00 -0.42 0.00 0.00 57.16 53.47 1x6d n GLU 106 Cb 0.59 -3.28 -0.02 0.00 -0.57 0.00 0.00 31.44 28.17 1x6d n GLU 106 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1x6d s ALA 107 N 2.97 3.63 -0.69 0.62 0.00 -1.26 -4.92 121.76 122.11 1x6d s ALA 107 Ca 0.48 -3.00 0.04 0.00 0.00 0.00 0.00 51.96 49.47 1x6d s ALA 107 Cb 0.10 -4.01 0.17 0.00 0.00 0.00 0.00 23.12 19.37 1x6d s ALA 107 CO -0.03 -2.85 0.49 -1.64 0.00 0.00 0.00 175.76 171.73 1x6d s MET 108 N 2.08 2.49 -0.40 0.00 -1.94 -1.26 -5.06 119.30 115.21 1x6d s MET 108 Ca 0.34 -3.18 -0.29 0.00 -1.71 0.00 0.00 55.69 50.86 1x6d s MET 108 Cb -0.05 -3.49 0.01 0.00 2.01 0.00 0.00 34.83 33.31 1x6d s MET 108 CO -0.07 -1.25 1.41 -1.25 -0.01 0.00 0.00 175.02 173.85 1x6d s PRO 109 N -1.17 3.60 -0.16 2.03 0.04 -1.26 -4.96 135.00 133.12 1x6d s PRO 109 Ca 0.23 0.97 -0.29 0.00 0.04 0.00 0.00 61.00 61.95 1x6d s PRO 109 Cb -0.10 -4.02 -0.04 0.00 0.04 0.00 0.00 34.50 30.39 1x6d s PRO 109 CO -0.12 -1.53 1.67 0.34 0.04 0.00 0.00 177.00 177.39 1x6d s ASP 110 N 3.87 6.42 0.00 6.66 -1.08 -1.26 -4.92 116.67 126.36 1x6d s ASP 110 Ca 0.61 1.85 0.00 0.00 -0.52 0.00 0.00 52.55 54.49 1x6d s ASP 110 Cb -0.14 -2.53 0.00 0.00 -1.46 0.00 0.00 42.92 38.79 1x6d s ASP 110 CO 0.32 -1.18 0.24 0.18 0.52 0.00 0.00 175.17 175.24 1x6d n LEU 111 N 8.18 1.28 -3.53 -1.34 4.32 -1.26 -4.96 117.00 119.70 1x6d n LEU 111 Ca 0.19 0.35 -0.39 0.00 -0.02 0.00 0.00 56.01 56.13 1x6d n LEU 111 Cb 0.44 -0.17 0.04 0.00 -1.62 0.00 0.00 43.42 42.12 1x6d n LEU 111 CO 0.64 -0.17 -0.28 -3.20 -1.22 0.00 0.00 177.39 173.17 1x6d n ASN 112 N -1.00 -5.45 -4.75 -1.43 5.15 -1.26 -4.96 115.26 101.56 1x6d n ASN 112 Ca 0.00 -0.20 -0.23 0.00 -0.60 0.00 0.00 54.58 53.55 1x6d n ASN 112 Cb 0.00 -1.63 -0.06 0.00 -0.53 0.00 0.00 39.78 37.56 1x6d n ASN 112 CO 0.00 0.00 0.00 -0.55 1.40 0.00 0.00 177.26 178.11 1x6d s SER 113 N -1.54 4.78 -0.31 1.20 0.15 -1.26 -5.11 113.70 111.61 1x6d s SER 113 Ca 0.37 -0.71 -0.02 0.00 0.70 0.00 0.00 55.95 56.28 1x6d s SER 113 Cb -0.04 -0.79 0.11 0.00 -1.71 0.00 0.00 66.02 63.60 1x6d s SER 113 CO 0.88 -0.28 0.15 -0.44 1.20 0.00 0.00 173.24 174.74 1x6d s SER 114 N -3.86 3.48 0.43 5.45 0.01 -1.26 -5.14 113.70 112.81 1x6d s SER 114 Ca 0.38 -1.61 -0.07 0.00 1.31 0.00 0.00 55.95 55.96 1x6d s SER 114 Cb -0.03 -0.47 -0.05 0.00 0.21 0.00 0.00 66.02 65.68 1x6d s SER 114 CO 0.23 -0.40 0.75 -0.83 0.41 0.00 0.00 173.24 173.40 1x6d s GLY 115 N 1.71 1.69 0.44 3.44 0.00 -1.26 -5.06 107.32 108.28 1x6d s GLY 115 Ca 0.12 -0.42 -0.22 0.00 0.00 0.00 0.00 44.72 44.20 1x6d s GLY 115 CO -0.25 -0.25 1.05 2.56 0.00 0.00 0.00 173.10 176.21 1x6d s PRO 116 N -4.27 4.00 0.22 2.90 0.04 -1.26 -5.06 135.00 131.57 1x6d s PRO 116 Ca 0.48 1.45 0.04 0.00 0.04 0.00 0.00 61.00 63.01 1x6d s PRO 116 Cb -0.10 -2.35 -0.05 0.00 0.04 0.00 0.00 34.50 32.04 1x6d s PRO 116 CO 0.38 -0.27 -0.02 -1.54 0.04 0.00 0.00 177.00 175.58 1x6d s SER 117 N -1.74 1.89 0.17 6.66 1.04 -1.26 -5.17 113.70 115.30 1x6d s SER 117 Ca 0.62 -1.19 0.04 0.00 0.48 0.00 0.00 55.95 55.90 1x6d s SER 117 Cb -0.20 -0.01 -0.05 0.00 0.10 0.00 0.00 66.02 65.87 1x6d s SER 117 CO 0.24 -0.47 -0.07 -0.94 0.98 0.00 0.00 173.24 172.98 1x6d s SER 118 N -3.30 1.77 0.00 7.02 1.04 -1.26 -5.35 113.70 113.62 1x6d s SER 118 Ca 0.27 -1.07 0.00 0.00 0.48 0.00 0.00 55.95 55.63 1x6d s SER 118 Cb 0.05 0.00 0.00 0.00 0.10 0.00 0.00 66.02 66.17 1x6d s SER 118 CO 0.08 -0.39 0.00 0.61 0.98 0.00 0.00 173.24 174.52