#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 5.27 0.18 1.61 0.01 -1.26 -5.05 113.70 114.47 1x6d s SER 2 Ca 0.00 -0.06 0.00 0.00 1.31 0.00 0.00 55.95 57.20 1x6d s SER 2 Cb 0.00 -0.82 0.00 0.00 0.21 0.00 0.00 66.02 65.41 1x6d s SER 2 CO 0.00 -1.14 0.00 -1.54 0.41 0.00 0.00 173.24 170.97 1x6d n SER 3 N -2.32 0.34 -4.07 2.44 3.41 -1.26 -5.07 113.62 107.09 1x6d n SER 3 Ca 0.08 0.30 -0.31 0.00 -0.26 0.00 0.00 58.87 58.68 1x6d n SER 3 Cb 0.60 0.07 -0.16 0.00 -0.26 0.00 0.00 64.21 64.46 1x6d n SER 3 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 1x6d s GLY 4 N -4.62 1.21 -0.23 5.00 0.00 -1.26 -5.11 107.32 102.31 1x6d s GLY 4 Ca 0.00 -0.97 -0.16 0.00 0.00 0.00 0.00 44.72 43.58 1x6d s GLY 4 CO 0.00 0.34 0.44 -0.45 0.00 0.00 0.00 173.10 173.43 1x6d s SER 5 N 1.26 6.41 0.09 1.64 0.15 -1.26 -4.66 113.70 117.32 1x6d s SER 5 Ca 0.01 0.48 0.00 0.00 0.70 0.00 0.00 55.95 57.14 1x6d s SER 5 Cb -0.14 -2.25 0.00 0.00 -1.71 0.00 0.00 66.02 61.93 1x6d s SER 5 CO -0.08 -0.17 0.00 -0.24 1.20 0.00 0.00 173.24 173.95 1x6d n SER 6 N 5.00 -0.77 -1.55 5.45 2.88 -1.26 -5.06 113.62 118.32 1x6d n SER 6 Ca -0.07 0.52 -0.01 0.00 -1.33 0.00 0.00 58.87 57.98 1x6d n SER 6 Cb 0.51 1.07 0.01 0.00 -0.75 0.00 0.00 64.21 65.05 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 -1.10 0.63 2.69 0.46 0.00 -1.26 -5.07 105.19 101.53 1x6d n GLY 7 Ca 0.00 -0.26 -0.22 0.00 0.00 0.00 0.00 46.02 45.54 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 -3.04 0.02 -1.38 4.61 0.00 -1.26 -4.90 121.76 115.82 1x6d s ALA 8 Ca 0.03 -0.10 -0.06 0.00 0.00 0.00 0.00 51.96 51.82 1x6d s ALA 8 Cb -0.00 -1.28 0.00 0.00 0.00 0.00 0.00 23.12 21.84 1x6d s ALA 8 CO 0.07 -1.29 0.42 2.41 0.00 0.00 0.00 175.76 177.37 1x6d n THR 9 N 5.30 -3.06 -3.96 0.00 -1.04 -1.26 -4.94 114.28 105.32 1x6d n THR 9 Ca -0.06 -0.58 -0.09 0.00 -2.04 0.00 0.00 64.05 61.28 1x6d n THR 9 Cb 0.48 -2.56 -0.04 0.00 -1.82 0.00 0.00 70.33 66.40 1x6d n THR 9 CO 0.00 0.00 0.00 -0.76 -0.64 0.00 0.00 175.07 173.67 1x6d s LEU 10 N -7.02 0.27 -0.24 -4.42 1.43 -1.26 -5.11 118.68 102.33 1x6d s LEU 10 Ca 0.12 -0.97 -0.43 0.00 -1.03 0.00 0.00 54.13 51.82 1x6d s LEU 10 Cb -0.05 2.03 -0.19 0.00 0.03 0.00 0.00 46.19 48.01 1x6d s LEU 10 CO 0.91 -1.27 1.39 2.29 0.23 0.00 0.00 176.35 179.91 1x6d n LYS 11 N -0.44 0.22 -3.62 1.70 2.85 -1.26 -4.88 118.16 112.72 1x6d n LYS 11 Ca -0.02 0.08 -0.03 0.00 -1.05 0.00 0.00 58.31 57.28 1x6d n LYS 11 Cb 0.61 -1.61 -0.02 0.00 -0.65 0.00 0.00 35.03 33.36 1x6d n LYS 11 CO 0.00 0.00 0.00 -1.14 -0.05 0.00 0.00 177.40 176.21 1x6d s GLN 12 N 1.71 0.17 0.04 -1.58 2.00 -1.26 -4.90 119.66 115.84 1x6d s GLN 12 Ca 0.97 -0.06 -0.26 0.00 -2.00 0.00 0.00 55.36 54.02 1x6d s GLN 12 Cb -1.32 0.08 0.06 0.00 0.80 0.00 0.00 33.01 32.63 1x6d s GLN 12 CO 0.68 -0.07 0.59 -1.17 -0.50 0.00 0.00 175.29 174.82 1x6d s LEU 13 N -2.10 -0.39 0.32 3.68 2.96 -1.26 -5.03 118.68 116.86 1x6d s LEU 13 Ca 0.11 0.33 0.08 0.00 -0.22 0.00 0.00 54.13 54.42 1x6d s LEU 13 Cb -0.01 2.38 0.92 0.00 0.50 0.00 0.00 46.19 49.97 1x6d s LEU 13 CO -0.03 -0.73 1.60 -0.78 -1.32 0.00 0.00 176.35 175.09 1x6d h ASP 14 N 2.70 -0.05 -3.52 3.68 1.82 -2.04 -3.44 116.42 115.57 1x6d h ASP 14 Ca -0.30 0.24 -0.27 0.00 -0.39 0.00 0.00 57.03 56.31 1x6d h ASP 14 Cb 1.21 0.34 0.06 0.00 0.68 0.00 0.00 39.33 41.61 1x6d h ASP 14 CO 0.40 -0.30 -0.43 0.61 -1.61 0.00 0.00 179.24 177.91 1x6d n GLY 15 N -1.38 -0.11 3.63 -0.78 0.00 -1.26 -5.02 105.19 100.27 1x6d n GLY 15 Ca 0.27 -0.13 -0.27 0.00 0.00 0.00 0.00 46.02 45.90 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 -3.05 3.54 -0.08 -0.61 -1.09 -1.26 -3.17 121.20 115.48 1x6d s ILE 16 Ca 0.27 -1.50 -0.03 0.00 -2.23 0.00 0.00 60.65 57.16 1x6d s ILE 16 Cb -0.12 -2.77 0.04 0.00 -1.58 0.00 0.00 42.46 38.03 1x6d s ILE 16 CO 0.33 -0.11 0.07 -2.28 -1.23 0.00 0.00 174.94 171.72 1x6d s HIS 17 N -1.72 0.11 0.53 3.97 2.46 -0.77 -4.98 115.29 114.89 1x6d s HIS 17 Ca 0.27 0.07 -0.18 0.00 0.47 0.00 0.00 55.06 55.68 1x6d s HIS 17 Cb -0.09 -0.55 -0.07 0.00 -0.13 0.00 0.00 32.58 31.74 1x6d s HIS 17 CO 0.17 -0.30 1.04 0.54 -2.47 0.00 0.00 174.74 173.73 1x6d s VAL 18 N 2.16 3.83 -0.29 0.89 0.11 -1.26 -3.51 120.40 122.34 1x6d s VAL 18 Ca 0.04 1.03 -0.01 0.00 -2.93 0.00 0.00 61.98 60.11 1x6d s VAL 18 Cb -0.13 -3.44 0.09 0.00 -1.53 0.00 0.00 36.38 31.37 1x6d s VAL 18 CO -0.05 -0.36 0.07 -0.89 -3.33 0.00 0.00 175.10 170.54 1x6d s THR 19 N -2.18 0.92 -0.46 5.04 2.01 -1.03 -5.01 115.64 114.93 1x6d s THR 19 Ca 0.66 -1.28 -0.18 0.00 0.31 0.00 0.00 61.69 61.19 1x6d s THR 19 Cb -0.16 -1.61 0.04 0.00 0.01 0.00 0.00 72.50 70.78 1x6d s THR 19 CO 0.27 -0.55 0.50 -0.63 -0.69 0.00 0.00 174.62 173.51 1x6d s ILE 20 N 1.61 5.03 -0.17 1.82 -1.09 -1.26 -3.06 121.20 124.09 1x6d s ILE 20 Ca 0.07 -0.51 -0.17 0.00 -2.23 0.00 0.00 60.65 57.81 1x6d s ILE 20 Cb -0.17 -4.15 -0.04 0.00 -1.58 0.00 0.00 42.46 36.52 1x6d s ILE 20 CO -0.20 -0.59 0.44 -0.76 -1.23 0.00 0.00 174.94 172.60 1x6d s LEU 21 N 2.24 4.20 -0.49 2.97 1.02 -1.05 -4.94 118.68 122.64 1x6d s LEU 21 Ca 0.12 0.66 -0.16 0.00 0.02 0.00 0.00 54.13 54.76 1x6d s LEU 21 Cb -0.19 -2.61 0.08 0.00 0.02 0.00 0.00 46.19 43.49 1x6d s LEU 21 CO 0.12 -0.06 0.45 -1.00 0.02 0.00 0.00 176.35 175.88 1x6d s HIS 22 N 1.08 3.21 0.24 0.29 3.76 -1.26 -2.67 115.29 119.95 1x6d s HIS 22 Ca 0.22 -0.93 0.00 0.00 -0.15 0.00 0.00 55.06 54.20 1x6d s HIS 22 Cb -0.15 -3.33 -0.03 0.00 1.11 0.00 0.00 32.58 30.17 1x6d s HIS 22 CO 0.09 -0.87 0.21 -1.59 -0.85 0.00 0.00 174.74 171.72 1x6d s LYS 23 N 1.79 1.40 0.70 1.40 0.00 -0.34 -5.03 119.74 119.66 1x6d s LYS 23 Ca 0.05 -1.70 -0.04 0.00 0.00 0.00 0.00 55.97 54.28 1x6d s LYS 23 Cb -0.25 0.31 0.08 0.00 0.00 0.00 0.00 37.83 37.97 1x6d s LYS 23 CO 0.07 -0.49 0.98 -1.21 0.00 0.00 0.00 175.35 174.70 1x6d s GLU 24 N -3.92 2.02 -0.47 1.78 2.02 -1.26 -3.99 118.70 114.88 1x6d s GLU 24 Ca 0.38 -0.57 -0.28 0.00 0.02 0.00 0.00 54.97 54.52 1x6d s GLU 24 Cb 0.05 -2.25 -0.08 0.00 0.10 0.00 0.00 34.13 31.95 1x6d s GLU 24 CO 0.16 -1.27 2.38 0.39 0.02 0.00 0.00 175.26 176.94 1x6d n GLU 25 N -2.85 1.14 -2.37 1.61 1.02 -1.26 -0.24 120.64 117.69 1x6d n GLU 25 Ca 0.10 0.14 -0.04 0.00 -0.02 0.00 0.00 57.16 57.34 1x6d n GLU 25 Cb 0.60 -3.12 0.01 0.00 -0.02 0.00 0.00 31.44 28.90 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 6.06 0.46 0.09 0.62 0.00 0.11 -4.95 105.19 107.58 1x6d n GLY 26 Ca 0.39 -0.63 -0.13 0.00 0.00 0.00 0.00 46.02 45.65 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 0.17 0.25 0.00 4.61 0.00 -0.61 -3.48 119.26 120.21 1x6d h ALA 27 Ca -0.09 -0.98 0.00 0.00 0.00 0.00 0.00 54.91 53.84 1x6d h ALA 27 Cb 1.06 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.90 1x6d h ALA 27 CO 0.10 1.13 0.00 0.41 0.00 0.00 0.00 179.25 180.89 1x6d n GLY 28 N 1.51 2.07 0.13 0.00 0.00 -1.26 -4.94 105.19 102.70 1x6d n GLY 28 Ca -0.08 -1.96 -0.26 0.00 0.00 0.00 0.00 46.02 43.72 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 0.00 2.23 0.00 0.99 4.77 -1.26 -4.80 117.00 118.93 1x6d n LEU 29 Ca 0.00 0.22 0.00 0.00 -0.03 0.00 0.00 56.01 56.20 1x6d n LEU 29 Cb 0.00 -0.87 0.00 0.00 -2.33 0.00 0.00 43.42 40.22 1x6d n LEU 29 CO 0.00 0.65 0.00 0.61 -1.33 0.00 0.00 177.39 177.32 1x6d n GLY 30 N 1.55 1.16 3.34 -0.72 0.00 -1.26 0.11 105.19 109.37 1x6d n GLY 30 Ca -0.50 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.35 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 -1.76 1.60 0.38 1.61 -0.71 -1.26 0.54 117.98 118.37 1x6d s PHE 31 Ca 0.00 -1.07 0.05 0.00 -1.04 0.00 0.00 56.93 54.86 1x6d s PHE 31 Cb 0.00 -0.96 -0.06 0.00 -1.21 0.00 0.00 43.02 40.79 1x6d s PHE 31 CO 0.00 -0.20 0.04 0.45 -1.34 0.00 0.00 175.22 174.17 1x6d s SER 32 N -3.33 3.13 0.32 1.98 0.15 -0.68 -4.98 113.70 110.29 1x6d s SER 32 Ca 0.35 -1.43 0.00 0.00 0.70 0.00 0.00 55.95 55.57 1x6d s SER 32 Cb 0.07 -0.10 -0.03 0.00 -1.71 0.00 0.00 66.02 64.25 1x6d s SER 32 CO 0.12 -0.60 0.52 -0.76 1.20 0.00 0.00 173.24 173.72 1x6d s LEU 33 N -3.62 4.07 0.05 3.45 1.43 -1.26 -2.01 118.68 120.79 1x6d s LEU 33 Ca 0.32 0.43 0.02 0.00 -1.03 0.00 0.00 54.13 53.87 1x6d s LEU 33 Cb 0.08 -3.27 -0.03 0.00 0.03 0.00 0.00 46.19 43.00 1x6d s LEU 33 CO 0.15 -0.24 -0.07 0.00 0.23 0.00 0.00 176.35 176.42 1x6d s ALA 34 N -2.22 0.56 0.16 4.21 0.00 0.55 -4.13 121.76 120.88 1x6d s ALA 34 Ca 0.40 -0.83 0.00 0.00 0.00 0.00 0.00 51.96 51.52 1x6d s ALA 34 Cb -0.10 0.08 0.00 0.00 0.00 0.00 0.00 23.12 23.10 1x6d s ALA 34 CO 0.34 -0.08 0.00 0.41 0.00 0.00 0.00 175.76 176.43 1x6d n GLY 35 N 1.24 -1.93 0.00 0.00 0.00 -1.26 -0.59 105.19 102.65 1x6d n GLY 35 Ca -0.21 -1.29 0.00 0.00 0.00 0.00 0.00 46.02 44.52 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 -2.37 2.11 0.13 -0.02 0.00 -0.86 -4.37 105.19 99.80 1x6d n GLY 36 Ca 0.00 -0.66 -0.22 0.00 0.00 0.00 0.00 46.02 45.15 1x6d n GLY 36 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1x6d n ALA 37 N -3.00 0.89 0.44 4.61 0.00 -0.82 -2.70 120.51 119.92 1x6d n ALA 37 Ca 0.00 -0.59 0.13 0.00 0.00 0.00 0.00 53.44 52.98 1x6d n ALA 37 Cb 0.00 -0.61 0.46 0.00 0.00 0.00 0.00 19.45 19.31 1x6d n ALA 37 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.50 177.72 1x6d h ASP 38 N -0.25 0.00 -3.52 0.00 3.58 -1.87 -3.44 116.42 110.93 1x6d h ASP 38 Ca -0.42 0.00 -0.22 0.00 0.42 0.00 0.00 57.03 56.81 1x6d h ASP 38 Cb 1.82 0.00 0.07 0.00 1.72 0.00 0.00 39.33 42.94 1x6d h ASP 38 CO -0.01 0.00 0.15 0.18 -2.88 0.00 0.00 179.24 176.68 1x6d n LEU 39 N -2.45 0.00 0.08 2.28 4.32 -1.25 -5.00 117.00 114.98 1x6d n LEU 39 Ca 0.03 -0.86 -0.08 0.00 -0.02 0.00 0.00 56.01 55.07 1x6d n LEU 39 Cb 0.33 -0.44 -0.08 0.00 -1.62 0.00 0.00 43.42 41.62 1x6d n LEU 39 CO 0.26 -0.88 0.15 -0.33 -1.22 0.00 0.00 177.39 175.36 1x6d h GLU 40 N 0.00 0.08 -4.93 3.23 5.08 -1.86 -3.38 114.58 112.80 1x6d h GLU 40 Ca -0.20 -0.12 -0.72 0.00 -1.00 0.00 0.00 59.36 57.33 1x6d h GLU 40 Cb 0.60 0.04 -0.17 0.00 0.50 0.00 0.00 28.75 29.73 1x6d h GLU 40 CO 0.16 1.00 1.30 -0.80 -1.00 0.00 0.00 179.01 179.68 1x6d s ASN 41 N -6.84 6.94 0.57 1.42 0.01 -1.26 -4.80 114.94 110.99 1x6d s ASN 41 Ca -0.01 -2.70 0.29 0.00 -0.71 0.00 0.00 52.86 49.73 1x6d s ASN 41 Cb 0.10 -2.42 1.47 0.00 0.41 0.00 0.00 41.25 40.81 1x6d s ASN 41 CO 0.83 -0.87 1.91 0.50 -1.51 0.00 0.00 177.10 177.96 1x6d h LYS 42 N 7.63 0.00 -4.87 -0.60 1.63 -1.70 -2.30 116.57 116.36 1x6d h LYS 42 Ca 0.29 0.00 -0.65 0.00 -0.85 0.00 0.00 60.65 59.44 1x6d h LYS 42 Cb 0.91 0.00 -0.19 0.00 -0.60 0.00 0.00 32.23 32.35 1x6d h LYS 42 CO 1.23 0.00 -0.54 0.54 -3.45 0.00 0.00 179.45 177.23 1x6d s VAL 43 N -4.74 5.00 0.42 2.00 0.11 -1.26 -4.46 120.40 117.47 1x6d s VAL 43 Ca -0.04 -0.03 -0.26 0.00 -2.93 0.00 0.00 61.98 58.72 1x6d s VAL 43 Cb 0.17 -3.42 -0.09 0.00 -1.53 0.00 0.00 36.38 31.52 1x6d s VAL 43 CO 0.62 0.21 1.34 -0.63 -3.33 0.00 0.00 175.10 173.31 1x6d s ILE 44 N 1.70 2.44 0.31 7.04 1.09 -1.26 -4.74 121.20 127.79 1x6d s ILE 44 Ca 0.06 0.40 0.03 0.00 -1.10 0.00 0.00 60.65 60.04 1x6d s ILE 44 Cb -0.16 -3.24 -0.05 0.00 -1.06 0.00 0.00 42.46 37.96 1x6d s ILE 44 CO 0.09 0.06 0.11 0.42 -0.10 0.00 0.00 174.94 175.51 1x6d s THR 45 N -1.24 0.68 -0.69 2.92 -4.23 0.25 -0.94 115.64 112.39 1x6d s THR 45 Ca 0.58 -2.00 -0.27 0.00 -1.18 0.00 0.00 61.69 58.82 1x6d s THR 45 Cb -0.40 -2.60 0.01 0.00 1.34 0.00 0.00 72.50 70.84 1x6d s THR 45 CO 0.52 0.00 1.54 -0.69 -0.54 0.00 0.00 174.62 175.44 1x6d s VAL 46 N -3.51 3.57 0.07 2.29 1.01 -1.11 0.20 120.40 122.92 1x6d s VAL 46 Ca 0.35 0.29 -0.31 0.00 0.00 0.00 0.00 61.98 62.30 1x6d s VAL 46 Cb 0.07 -4.50 -0.15 0.00 0.00 0.00 0.00 36.38 31.79 1x6d s VAL 46 CO 0.15 -1.45 1.48 -0.74 0.00 0.00 0.00 175.10 174.54 1x6d h HIS 47 N 12.11 -1.19 -3.81 5.22 2.76 -1.56 -2.14 115.15 126.55 1x6d h HIS 47 Ca -0.26 0.00 -0.09 0.00 -2.20 0.00 0.00 60.37 57.83 1x6d h HIS 47 Cb 1.10 0.45 -0.13 0.00 1.55 0.00 0.00 27.41 30.38 1x6d h HIS 47 CO 1.10 -0.60 -0.32 1.03 -1.30 0.00 0.00 177.93 177.83 1x6d s ARG 48 N -5.46 1.00 -0.36 5.26 3.00 -1.26 -4.71 118.95 116.42 1x6d s ARG 48 Ca -0.16 -1.03 0.01 0.00 0.00 0.00 0.00 55.73 54.55 1x6d s ARG 48 Cb 0.03 0.37 0.12 0.00 0.00 0.00 0.00 34.95 35.47 1x6d s ARG 48 CO 0.52 -0.35 0.15 0.08 0.00 0.00 0.00 175.30 175.70 1x6d s VAL 49 N -3.90 1.14 0.57 3.52 1.01 -1.26 -1.69 120.40 119.79 1x6d s VAL 49 Ca 0.10 -1.92 -0.15 0.00 0.00 0.00 0.00 61.98 60.01 1x6d s VAL 49 Cb 0.04 -1.84 -0.13 0.00 0.00 0.00 0.00 36.38 34.46 1x6d s VAL 49 CO -0.06 -0.77 -0.31 0.49 0.00 0.00 0.00 175.10 174.44 1x6d n PHE 50 N 4.27 -3.15 0.09 5.22 3.72 0.19 -4.85 117.46 122.95 1x6d n PHE 50 Ca 0.03 0.23 -0.06 0.00 -0.05 0.00 0.00 57.45 57.60 1x6d n PHE 50 Cb 0.39 -1.34 0.04 0.00 -0.94 0.00 0.00 39.48 37.63 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 -0.31 0.13 -3.34 -1.08 0.13 -2.00 -3.38 132.00 122.16 1x6d h PRO 51 Ca -0.35 -0.13 -0.66 0.00 -0.87 0.00 0.00 66.00 63.99 1x6d h PRO 51 Cb 1.17 0.03 -0.39 0.00 0.13 0.00 0.00 31.00 31.95 1x6d h PRO 51 CO 0.30 0.85 -0.48 -0.80 -0.23 0.00 0.00 178.00 177.63 1x6d s ASN 52 N -6.87 4.89 0.08 1.44 0.01 -1.26 -5.01 114.94 108.21 1x6d s ASN 52 Ca -0.02 -3.30 -0.03 0.00 -0.71 0.00 0.00 52.86 48.80 1x6d s ASN 52 Cb 0.11 -1.73 0.01 0.00 0.41 0.00 0.00 41.25 40.06 1x6d s ASN 52 CO 0.81 -0.22 0.16 0.61 -1.51 0.00 0.00 177.10 176.95 1x6d n GLY 53 N 2.78 1.95 0.13 0.66 0.00 -1.26 -4.94 105.19 104.50 1x6d n GLY 53 Ca 0.12 -1.12 -0.22 0.00 0.00 0.00 0.00 46.02 44.80 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 2.41 -0.51 0.99 4.77 0.14 -3.51 117.00 121.29 1x6d n LEU 54 Ca -0.02 0.21 0.42 0.00 -0.03 0.00 0.00 56.01 56.60 1x6d n LEU 54 Cb 0.12 -1.00 0.71 0.00 -2.33 0.00 0.00 43.42 40.93 1x6d n LEU 54 CO 0.06 0.68 1.30 0.00 -1.33 0.00 0.00 177.39 178.11 1x6d h ALA 55 N -0.24 3.07 0.16 -1.18 0.00 0.54 1.47 119.26 123.07 1x6d h ALA 55 Ca -0.48 0.07 -0.24 0.00 0.00 0.00 0.00 54.91 54.26 1x6d h ALA 55 Cb 1.76 0.20 0.02 0.00 0.00 0.00 0.00 17.79 19.77 1x6d h ALA 55 CO -0.10 -1.69 -1.08 1.03 0.00 0.00 0.00 179.25 177.42 1x6d h SER 56 N 0.04 0.53 -0.91 0.00 0.87 -1.82 -3.22 113.55 109.03 1x6d h SER 56 Ca 0.86 -0.93 0.16 0.00 -1.23 0.00 0.00 61.79 60.65 1x6d h SER 56 Cb 2.94 -0.17 -0.16 0.00 -0.44 0.00 0.00 62.40 64.57 1x6d h SER 56 CO -0.31 1.51 -0.31 1.56 -0.53 0.00 0.00 176.83 178.75 1x6d h GLN 57 N -0.25 -0.02 1.01 2.24 1.08 0.20 -0.49 115.11 118.87 1x6d h GLN 57 Ca -0.20 0.00 -0.05 0.00 -1.45 0.00 0.00 58.65 56.95 1x6d h GLN 57 Cb 1.78 0.00 0.01 0.00 -0.05 0.00 0.00 27.48 29.22 1x6d h GLN 57 CO 0.16 -0.01 -0.48 1.49 -0.95 0.00 0.00 178.83 179.03 1x6d h GLU 58 N -0.02 -1.31 0.00 1.46 4.22 -1.49 -3.47 114.58 113.97 1x6d h GLU 58 Ca 0.38 0.09 0.00 0.00 0.08 0.00 0.00 59.36 59.91 1x6d h GLU 58 Cb 0.63 0.30 0.00 0.00 0.50 0.00 0.00 28.75 30.18 1x6d h GLU 58 CO -0.93 -0.87 0.00 0.41 -2.18 0.00 0.00 179.01 175.44 1x6d n GLY 59 N -1.65 0.70 0.12 1.92 0.00 -0.19 -4.95 105.19 101.13 1x6d n GLY 59 Ca -0.17 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.64 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 0.91 -2.15 2.61 2.02 -1.85 -3.42 112.91 111.02 1x6d h THR 60 Ca 0.00 -2.30 -0.60 0.00 0.77 0.00 0.00 66.41 64.28 1x6d h THR 60 Cb 0.00 2.49 -0.12 0.00 -1.74 0.00 0.00 68.15 68.79 1x6d h THR 60 CO 0.00 0.60 0.99 -0.63 0.37 0.00 0.00 175.52 176.85 1x6d s ILE 61 N -2.45 4.08 -0.08 3.11 1.01 -1.26 -4.98 121.20 120.63 1x6d s ILE 61 Ca -0.24 -0.37 0.01 0.00 0.00 0.00 0.00 60.65 60.05 1x6d s ILE 61 Cb 0.05 -4.87 -0.02 0.00 0.01 0.00 0.00 42.46 37.63 1x6d s ILE 61 CO 0.70 -1.72 -0.11 -1.10 0.00 0.00 0.00 174.94 172.71 1x6d s GLN 62 N 4.66 2.87 -0.30 2.79 -0.21 -1.26 -4.68 119.66 123.54 1x6d s GLN 62 Ca 0.34 -0.64 -0.38 0.00 0.02 0.00 0.00 55.36 54.70 1x6d s GLN 62 Cb -0.08 -2.54 -0.14 0.00 1.00 0.00 0.00 33.01 31.25 1x6d s GLN 62 CO 0.04 0.51 1.96 1.17 -2.12 0.00 0.00 175.29 176.85 1x6d n LYS 63 N 2.67 1.18 0.00 2.91 4.81 -1.26 -0.37 118.16 128.10 1x6d n LYS 63 Ca -0.18 0.40 0.00 0.00 -0.87 0.00 0.00 58.31 57.66 1x6d n LYS 63 Cb 0.53 -2.27 0.00 0.00 0.02 0.00 0.00 35.03 33.30 1x6d n LYS 63 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1x6d n GLY 64 N 5.32 1.79 3.72 3.14 0.00 -0.80 -4.99 105.19 113.36 1x6d n GLY 64 Ca 0.33 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 46.07 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 -1.89 2.88 -0.28 1.61 -0.87 0.50 -4.83 114.94 112.07 1x6d s ASN 65 Ca 0.00 1.08 -0.09 0.00 -1.57 0.00 0.00 52.86 52.28 1x6d s ASN 65 Cb 0.00 -1.71 -0.03 0.00 -0.02 0.00 0.00 41.25 39.50 1x6d s ASN 65 CO 0.00 -2.96 0.13 -0.70 -2.57 0.00 0.00 177.10 171.01 1x6d s GLU 66 N -5.09 3.65 -0.59 -0.60 2.12 -1.26 -2.77 118.70 114.17 1x6d s GLU 66 Ca 0.65 -0.50 -0.21 0.00 0.36 0.00 0.00 54.97 55.26 1x6d s GLU 66 Cb -0.17 -3.50 0.07 0.00 0.26 0.00 0.00 34.13 30.78 1x6d s GLU 66 CO 0.56 -0.26 0.84 0.08 -0.54 0.00 0.00 175.26 175.94 1x6d s VAL 67 N 1.66 4.55 -0.02 3.70 1.01 -0.11 -4.16 120.40 127.02 1x6d s VAL 67 Ca 0.06 -0.35 -0.25 0.00 0.00 0.00 0.00 61.98 61.44 1x6d s VAL 67 Cb -0.16 -4.53 -0.19 0.00 0.00 0.00 0.00 36.38 31.50 1x6d s VAL 67 CO 0.07 -1.17 1.20 -0.07 0.00 0.00 0.00 175.10 175.13 1x6d h LEU 68 N 10.65 -0.06 -8.07 3.92 3.38 -1.58 -3.38 115.31 120.15 1x6d h LEU 68 Ca -0.28 -0.44 -0.08 0.00 0.09 0.00 0.00 57.88 57.17 1x6d h LEU 68 Cb 1.08 0.02 -0.11 0.00 0.09 0.00 0.00 40.66 41.74 1x6d h LEU 68 CO 1.10 0.43 -0.20 -0.94 0.09 0.00 0.00 178.44 178.92 1x6d s SER 69 N -5.60 -0.06 -0.07 -0.43 1.04 -1.25 -3.09 113.70 104.24 1x6d s SER 69 Ca -0.15 -0.83 -0.03 0.00 0.48 0.00 0.00 55.95 55.42 1x6d s SER 69 Cb 0.01 0.51 0.04 0.00 0.10 0.00 0.00 66.02 66.69 1x6d s SER 69 CO 0.63 -1.00 0.12 -0.63 0.98 0.00 0.00 173.24 173.34 1x6d s ILE 70 N -3.97 -0.20 0.00 -1.02 1.01 -0.71 -3.00 121.20 113.30 1x6d s ILE 70 Ca 0.18 0.37 0.00 0.00 0.00 0.00 0.00 60.65 61.20 1x6d s ILE 70 Cb 0.01 -0.25 0.00 0.00 0.01 0.00 0.00 42.46 42.23 1x6d s ILE 70 CO 0.03 0.15 0.00 -3.20 0.00 0.00 0.00 174.94 171.92 1x6d n ASN 71 N 5.32 -3.74 0.00 3.58 4.05 0.50 -1.92 115.26 123.05 1x6d n ASN 71 Ca -0.04 0.00 0.00 0.00 0.45 0.00 0.00 54.58 54.99 1x6d n ASN 71 Cb 0.50 -1.35 0.00 0.00 1.23 0.00 0.00 39.78 40.16 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 -1.84 0.66 3.53 8.20 0.00 -1.24 -4.82 105.19 109.67 1x6d n GLY 72 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 1x6d n GLY 72 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1x6d s LYS 73 N -0.89 3.38 0.39 1.61 1.02 -0.81 -5.05 119.74 119.39 1x6d s LYS 73 Ca 0.00 -0.38 -0.24 0.00 0.02 0.00 0.00 55.97 55.37 1x6d s LYS 73 Cb 0.00 -3.89 -0.10 0.00 -0.52 0.00 0.00 37.83 33.32 1x6d s LYS 73 CO 0.00 -0.81 0.98 -1.12 -0.92 0.00 0.00 175.35 173.47 1x6d s SER 74 N 1.85 7.01 -0.79 2.83 0.01 -1.26 -1.74 113.70 121.62 1x6d s SER 74 Ca 0.18 1.84 -0.24 0.00 1.31 0.00 0.00 55.95 59.04 1x6d s SER 74 Cb -0.15 -2.57 0.06 0.00 0.21 0.00 0.00 66.02 63.57 1x6d s SER 74 CO 0.15 -0.30 1.19 -0.76 0.41 0.00 0.00 173.24 173.93 1x6d s LEU 75 N -2.65 3.82 -0.04 2.44 1.43 -1.18 -4.81 118.68 117.70 1x6d s LEU 75 Ca 0.57 -0.98 0.08 0.00 -1.03 0.00 0.00 54.13 52.77 1x6d s LEU 75 Cb -0.16 -2.50 0.30 0.00 0.03 0.00 0.00 46.19 43.86 1x6d s LEU 75 CO 0.21 -1.57 1.15 2.29 0.23 0.00 0.00 176.35 178.66 1x6d n LYS 76 N 8.44 2.05 0.00 1.70 -0.00 -1.26 -4.70 118.16 124.39 1x6d n LYS 76 Ca 0.09 -1.18 0.00 0.00 -0.00 0.00 0.00 58.31 57.21 1x6d n LYS 76 Cb 0.48 -1.45 0.00 0.00 -0.00 0.00 0.00 35.03 34.06 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 1.96 3.75 2.58 0.00 -1.26 -5.10 105.19 107.83 1x6d n GLY 77 Ca 0.11 0.00 -0.39 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 -0.20 3.23 -2.25 2.61 -1.04 -1.26 -4.47 114.28 110.90 1x6d n THR 78 Ca 0.00 -0.50 -0.33 0.00 -2.04 0.00 0.00 64.05 61.18 1x6d n THR 78 Cb 0.00 -1.75 -0.01 0.00 -1.82 0.00 0.00 70.33 66.76 1x6d n THR 78 CO 0.00 0.00 0.00 0.42 -0.64 0.00 0.00 175.07 174.85 1x6d s THR 79 N -1.24 3.73 0.31 12.58 -4.23 -1.26 -1.95 115.64 123.58 1x6d s THR 79 Ca 0.66 0.94 0.01 0.00 -1.18 0.00 0.00 61.69 62.11 1x6d s THR 79 Cb -0.44 -3.39 0.43 0.00 1.34 0.00 0.00 72.50 70.43 1x6d s THR 79 CO 0.54 -0.37 1.57 -0.74 -0.54 0.00 0.00 174.62 175.08 1x6d h HIS 80 N 0.92 -0.13 0.47 3.99 2.76 -1.89 0.92 115.15 122.20 1x6d h HIS 80 Ca -0.48 0.08 -0.02 0.00 -2.20 0.00 0.00 60.37 57.74 1x6d h HIS 80 Cb 1.22 0.22 0.00 0.00 1.55 0.00 0.00 27.41 30.41 1x6d h HIS 80 CO 0.57 -0.44 -0.23 1.25 -1.30 0.00 0.00 177.93 177.78 1x6d h HIS 81 N 0.00 -0.59 -1.33 5.26 -0.00 -1.90 0.78 115.15 117.36 1x6d h HIS 81 Ca 0.59 -0.01 0.39 0.00 -0.00 0.00 0.00 60.37 61.33 1x6d h HIS 81 Cb 1.18 0.19 -0.05 0.00 -0.00 0.00 0.00 27.41 28.73 1x6d h HIS 81 CO -0.54 -0.36 1.13 -0.44 -0.00 0.00 0.00 177.93 177.71 1x6d h ASP 82 N -0.98 0.00 0.00 3.26 5.19 -1.32 0.96 116.42 123.53 1x6d h ASP 82 Ca -0.06 0.00 -0.01 0.00 -0.62 0.00 0.00 57.03 56.34 1x6d h ASP 82 Cb 0.48 0.00 -0.00 0.00 0.18 0.00 0.00 39.33 39.99 1x6d h ASP 82 CO 0.11 0.00 -0.05 0.00 -3.12 0.00 0.00 179.24 176.18 1x6d h ALA 83 N 1.00 0.01 -0.63 3.45 0.00 0.98 -2.55 119.26 121.52 1x6d h ALA 83 Ca 0.63 -0.44 0.13 0.00 0.00 0.00 0.00 54.91 55.23 1x6d h ALA 83 Cb 2.88 0.03 -0.11 0.00 0.00 0.00 0.00 17.79 20.59 1x6d h ALA 83 CO -0.01 0.03 -0.05 -0.07 0.00 0.00 0.00 179.25 179.15 1x6d h LEU 84 N -1.00 -0.38 0.60 0.00 3.38 0.33 0.33 115.31 118.57 1x6d h LEU 84 Ca -0.01 0.17 -0.03 0.00 0.09 0.00 0.00 57.88 58.10 1x6d h LEU 84 Cb 0.84 0.32 0.01 0.00 0.09 0.00 0.00 40.66 41.91 1x6d h LEU 84 CO -0.01 -0.15 -0.29 0.00 0.09 0.00 0.00 178.44 178.08 1x6d h ALA 85 N 1.59 -0.80 -1.10 1.53 0.00 -0.93 0.73 119.26 120.28 1x6d h ALA 85 Ca 0.32 -0.18 0.31 0.00 0.00 0.00 0.00 54.91 55.36 1x6d h ALA 85 Cb 0.52 0.31 -0.11 0.00 0.00 0.00 0.00 17.79 18.51 1x6d h ALA 85 CO -0.58 -0.95 0.70 0.82 0.00 0.00 0.00 179.25 179.25 1x6d h ILE 86 N -0.81 0.42 -0.19 0.00 2.04 -0.72 1.56 117.51 119.82 1x6d h ILE 86 Ca -0.08 -0.11 -0.17 0.00 1.00 0.00 0.00 64.86 65.50 1x6d h ILE 86 Cb 0.62 0.07 -0.01 0.00 -0.74 0.00 0.00 36.82 36.76 1x6d h ILE 86 CO 0.14 0.06 -0.57 0.25 0.00 0.00 0.00 178.15 178.03 1x6d h LEU 87 N 0.32 0.65 0.00 1.44 7.12 0.45 -1.10 115.31 124.19 1x6d h LEU 87 Ca 0.65 -0.35 0.00 0.00 0.13 0.00 0.00 57.88 58.31 1x6d h LEU 87 Cb 1.75 -0.19 0.00 0.00 -0.53 0.00 0.00 40.66 41.70 1x6d h LEU 87 CO -0.34 1.08 0.00 0.54 -0.13 0.00 0.00 178.44 179.58 1x6d n ARG 88 N -3.95 0.02 -0.08 1.25 1.74 0.50 -2.71 116.66 113.43 1x6d n ARG 88 Ca -0.03 0.12 -0.10 0.00 -0.77 0.00 0.00 57.85 57.07 1x6d n ARG 88 Cb 0.62 -1.50 -0.15 0.00 -1.02 0.00 0.00 32.46 30.40 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 -1.49 0.67 0.00 5.56 6.02 0.95 -4.00 117.38 125.10 1x6d n GLN 89 Ca 0.06 0.08 0.08 0.00 -0.01 0.00 0.00 57.00 57.21 1x6d n GLN 89 Cb 0.25 -1.60 0.40 0.00 1.02 0.00 0.00 30.24 30.31 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 -2.70 1.85 0.78 -1.58 0.00 -0.46 -1.48 120.51 116.93 1x6d n ALA 90 Ca -0.29 -0.07 0.11 0.00 0.00 0.00 0.00 53.44 53.19 1x6d n ALA 90 Cb 1.13 -1.28 -0.04 0.00 0.00 0.00 0.00 19.45 19.26 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 0.15 -0.25 0.00 1.85 -1.21 -4.23 116.66 111.57 1x6d n ARG 91 Ca 0.06 -0.03 -0.04 0.00 -1.00 0.00 0.00 57.85 56.84 1x6d n ARG 91 Cb 0.17 -1.52 0.07 0.00 -1.05 0.00 0.00 32.46 30.13 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 0.00 0.86 -7.62 2.89 4.39 -1.41 0.31 114.58 114.00 1x6d h GLU 92 Ca 0.00 -0.05 -0.43 0.00 0.34 0.00 0.00 59.36 59.22 1x6d h GLU 92 Cb 0.61 -0.19 0.18 0.00 -0.10 0.00 0.00 28.75 29.25 1x6d h GLU 92 CO 0.00 0.57 0.28 -1.25 -1.16 0.00 0.00 179.01 177.45 1x6d s PRO 93 N -6.13 -0.34 0.00 2.33 0.04 -1.26 -1.07 135.00 128.57 1x6d s PRO 93 Ca -0.13 -0.27 0.20 0.00 0.04 0.00 0.00 61.00 60.84 1x6d s PRO 93 Cb 0.15 -1.72 0.62 0.00 0.04 0.00 0.00 34.50 33.59 1x6d s PRO 93 CO 0.77 -3.09 1.48 0.54 0.04 0.00 0.00 177.00 176.73 1x6d n ARG 94 N -4.28 1.96 -3.87 4.56 1.74 -1.26 -3.69 116.66 111.83 1x6d n ARG 94 Ca 0.15 -1.45 -0.10 0.00 -0.77 0.00 0.00 57.85 55.67 1x6d n ARG 94 Cb 0.59 -1.42 -0.09 0.00 -1.02 0.00 0.00 32.46 30.53 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 -1.68 0.64 -0.00 5.56 0.74 -1.26 -1.19 119.66 122.47 1x6d s GLN 95 Ca 0.33 -0.63 0.01 0.00 0.05 0.00 0.00 55.36 55.13 1x6d s GLN 95 Cb 0.18 0.26 -0.00 0.00 1.10 0.00 0.00 33.01 34.55 1x6d s GLN 95 CO 0.27 -0.18 -0.04 0.00 -0.55 0.00 0.00 175.29 174.79 1x6d s ALA 96 N -2.41 0.32 -0.24 1.58 0.00 -1.09 -4.82 121.76 115.11 1x6d s ALA 96 Ca -0.06 -0.17 0.01 0.00 0.00 0.00 0.00 51.96 51.74 1x6d s ALA 96 Cb -0.02 -0.08 0.04 0.00 0.00 0.00 0.00 23.12 23.06 1x6d s ALA 96 CO -0.03 0.08 -0.11 0.08 0.00 0.00 0.00 175.76 175.77 1x6d s VAL 97 N -0.10 2.39 -0.17 0.00 1.01 -1.26 -2.52 120.40 119.75 1x6d s VAL 97 Ca 0.01 -1.26 0.00 0.00 0.00 0.00 0.00 61.98 60.73 1x6d s VAL 97 Cb -0.02 -2.25 0.03 0.00 0.00 0.00 0.00 36.38 34.15 1x6d s VAL 97 CO -0.00 0.18 -0.12 -0.63 0.00 0.00 0.00 175.10 174.53 1x6d s ILE 98 N 1.22 1.56 -0.36 2.22 1.09 -1.17 0.19 121.20 125.95 1x6d s ILE 98 Ca -0.02 -0.78 -0.15 0.00 -1.10 0.00 0.00 60.65 58.60 1x6d s ILE 98 Cb -0.17 -1.55 -0.00 0.00 -1.06 0.00 0.00 42.46 39.67 1x6d s ILE 98 CO -0.07 0.32 0.36 -0.69 -0.10 0.00 0.00 174.94 174.76 1x6d s VAL 99 N 1.46 5.18 0.05 2.92 1.01 -1.16 -2.47 120.40 127.39 1x6d s VAL 99 Ca 0.02 -0.12 0.02 0.00 0.00 0.00 0.00 61.98 61.91 1x6d s VAL 99 Cb -0.14 -3.86 -0.03 0.00 0.00 0.00 0.00 36.38 32.35 1x6d s VAL 99 CO -0.09 -0.16 -0.08 0.42 0.00 0.00 0.00 175.10 175.18 1x6d s THR 100 N 1.98 0.61 0.26 3.92 -4.23 -1.23 -1.71 115.64 115.24 1x6d s THR 100 Ca 0.11 -1.22 0.02 0.00 -1.18 0.00 0.00 61.69 59.42 1x6d s THR 100 Cb -0.17 -0.80 -0.03 0.00 1.34 0.00 0.00 72.50 72.84 1x6d s THR 100 CO 0.12 -0.44 0.42 -0.13 -0.54 0.00 0.00 174.62 174.05 1x6d s ARG 101 N -1.90 3.48 -0.51 3.99 3.00 -1.26 -1.85 118.95 123.90 1x6d s ARG 101 Ca -0.06 -0.51 -0.28 0.00 0.00 0.00 0.00 55.73 54.88 1x6d s ARG 101 Cb -0.08 -2.81 0.01 0.00 0.00 0.00 0.00 34.95 32.07 1x6d s ARG 101 CO -0.00 0.34 1.42 0.15 0.00 0.00 0.00 175.30 177.21 1x6d s LYS 102 N -3.86 3.38 -0.02 3.54 -0.14 -1.19 -4.72 119.74 116.74 1x6d s LYS 102 Ca 0.37 0.62 0.06 0.00 -1.36 0.00 0.00 55.97 55.66 1x6d s LYS 102 Cb -0.10 -4.10 -0.03 0.00 -1.68 0.00 0.00 37.83 31.93 1x6d s LYS 102 CO 0.31 -1.83 -0.18 -0.51 -0.76 0.00 0.00 175.35 172.39 1x6d s LEU 103 N 5.91 2.56 0.67 3.17 1.43 -1.26 -5.10 118.68 126.05 1x6d s LEU 103 Ca 0.56 -0.32 -0.13 0.00 -1.03 0.00 0.00 54.13 53.20 1x6d s LEU 103 Cb -0.12 -1.50 -0.00 0.00 0.03 0.00 0.00 46.19 44.60 1x6d s LEU 103 CO 0.28 0.31 1.07 0.42 0.23 0.00 0.00 176.35 178.66 1x6d s THR 104 N -0.77 3.72 1.08 5.49 -4.23 -1.26 -5.03 115.64 114.65 1x6d s THR 104 Ca 0.12 0.68 -0.18 0.00 -1.18 0.00 0.00 61.69 61.14 1x6d s THR 104 Cb -0.10 -3.27 0.24 0.00 1.34 0.00 0.00 72.50 70.71 1x6d s THR 104 CO 0.02 -0.61 1.22 -2.16 -0.54 0.00 0.00 174.62 172.54 1x6d s PRO 105 N -4.54 -0.29 -0.43 3.99 0.04 -1.26 -5.05 135.00 127.46 1x6d s PRO 105 Ca 0.62 -0.25 0.08 0.00 0.04 0.00 0.00 61.00 61.49 1x6d s PRO 105 Cb -0.16 -1.72 0.32 0.00 0.04 0.00 0.00 34.50 32.98 1x6d s PRO 105 CO 0.47 -3.06 0.93 -0.85 0.04 0.00 0.00 177.00 174.52 1x6d n GLU 106 N -4.26 0.96 -4.35 4.56 0.00 -1.26 -5.13 120.64 111.16 1x6d n GLU 106 Ca 0.14 -2.49 -0.18 0.00 0.00 0.00 0.00 57.16 54.63 1x6d n GLU 106 Cb 0.59 -1.31 -0.10 0.00 0.00 0.00 0.00 31.44 30.62 1x6d n GLU 106 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1x6d s ALA 107 N -0.72 2.00 0.59 -1.84 0.00 -1.26 -5.15 121.76 115.39 1x6d s ALA 107 Ca 0.30 -1.72 -0.13 0.00 0.00 0.00 0.00 51.96 50.40 1x6d s ALA 107 Cb 0.30 0.11 -0.05 0.00 0.00 0.00 0.00 23.12 23.48 1x6d s ALA 107 CO -0.08 -0.05 1.02 -1.64 0.00 0.00 0.00 175.76 175.01 1x6d s MET 108 N -3.72 3.59 0.00 0.00 -1.94 -1.26 -5.01 119.30 110.97 1x6d s MET 108 Ca 0.25 0.89 -0.30 0.00 -1.71 0.00 0.00 55.69 54.81 1x6d s MET 108 Cb 0.02 -2.08 -0.04 0.00 2.01 0.00 0.00 34.83 34.74 1x6d s MET 108 CO 0.08 -0.57 1.19 -1.25 -0.01 0.00 0.00 175.02 174.46 1x6d s PRO 109 N -4.71 4.40 -0.19 2.03 0.04 -1.26 -5.01 135.00 130.30 1x6d s PRO 109 Ca 0.57 1.71 -0.04 0.00 0.04 0.00 0.00 61.00 63.28 1x6d s PRO 109 Cb -0.12 -3.46 0.09 0.00 0.04 0.00 0.00 34.50 31.05 1x6d s PRO 109 CO 0.45 -0.34 0.20 0.34 0.04 0.00 0.00 177.00 177.69 1x6d s ASP 110 N 1.27 1.53 1.20 6.66 2.15 -1.26 -5.15 116.67 123.07 1x6d s ASP 110 Ca 0.57 -0.27 -0.18 0.00 0.43 0.00 0.00 52.55 53.10 1x6d s ASP 110 Cb -0.27 0.27 0.23 0.00 -0.30 0.00 0.00 42.92 42.85 1x6d s ASP 110 CO 0.26 -0.33 0.50 0.18 -0.17 0.00 0.00 175.17 175.61 1x6d n LEU 111 N 5.31 -1.56 -4.52 -1.34 4.77 -1.26 -5.00 117.00 113.39 1x6d n LEU 111 Ca -0.06 -0.39 -0.33 0.00 -0.03 0.00 0.00 56.01 55.21 1x6d n LEU 111 Cb 0.49 -0.99 -0.12 0.00 -2.33 0.00 0.00 43.42 40.48 1x6d n LEU 111 CO 0.08 -3.55 -0.42 0.20 -1.33 0.00 0.00 177.39 172.37 1x6d s ASN 112 N -2.28 4.27 0.01 -1.43 0.01 -1.26 -5.12 114.94 109.15 1x6d s ASN 112 Ca 0.57 -0.16 0.01 0.00 -0.71 0.00 0.00 52.86 52.57 1x6d s ASN 112 Cb -0.14 -0.95 -0.01 0.00 0.41 0.00 0.00 41.25 40.56 1x6d s ASN 112 CO 0.56 0.33 -0.03 -0.55 -1.51 0.00 0.00 177.10 175.91 1x6d s SER 113 N -0.93 0.31 0.34 -1.22 0.15 -1.26 -5.16 113.70 105.93 1x6d s SER 113 Ca 0.13 -0.26 0.05 0.00 0.70 0.00 0.00 55.95 56.57 1x6d s SER 113 Cb -0.11 0.03 -0.07 0.00 -1.71 0.00 0.00 66.02 64.16 1x6d s SER 113 CO 0.02 -0.12 0.02 -0.94 1.20 0.00 0.00 173.24 173.42 1x6d s SER 114 N -0.73 2.96 -0.31 5.45 1.04 -1.26 -5.13 113.70 115.72 1x6d s SER 114 Ca -0.06 -1.34 0.03 0.00 0.48 0.00 0.00 55.95 55.06 1x6d s SER 114 Cb -0.05 -0.21 0.08 0.00 0.10 0.00 0.00 66.02 65.94 1x6d s SER 114 CO -0.00 -0.50 -0.02 -0.83 0.98 0.00 0.00 173.24 172.87 1x6d s GLY 115 N -3.55 1.81 0.85 7.32 0.00 -1.26 -5.11 107.32 107.37 1x6d s GLY 115 Ca 0.35 -2.15 -0.12 0.00 0.00 0.00 0.00 44.72 42.80 1x6d s GLY 115 CO 0.16 0.78 1.11 2.56 0.00 0.00 0.00 173.10 177.71 1x6d s PRO 116 N 1.02 1.69 -0.25 2.90 0.04 -1.26 -5.08 135.00 134.07 1x6d s PRO 116 Ca 0.01 0.50 -0.37 0.00 0.04 0.00 0.00 61.00 61.17 1x6d s PRO 116 Cb -0.20 -1.88 0.15 0.00 0.04 0.00 0.00 34.50 32.61 1x6d s PRO 116 CO -0.06 -1.86 1.33 0.45 0.04 0.00 0.00 177.00 176.90 1x6d s SER 117 N -3.95 -0.05 1.01 6.66 0.15 -1.26 -5.16 113.70 111.10 1x6d s SER 117 Ca 0.62 -0.00 -0.17 0.00 0.70 0.00 0.00 55.95 57.10 1x6d s SER 117 Cb -0.15 0.05 0.00 0.00 -1.71 0.00 0.00 66.02 64.22 1x6d s SER 117 CO 0.54 -0.09 -0.09 -0.24 1.20 0.00 0.00 173.24 174.56 1x6d n SER 118 N -0.06 -2.91 0.00 5.45 2.88 -1.26 -5.35 113.62 112.36 1x6d n SER 118 Ca 0.03 0.14 0.00 0.00 -1.33 0.00 0.00 58.87 57.71 1x6d n SER 118 Cb 0.57 -0.99 0.00 0.00 -0.75 0.00 0.00 64.21 63.04 1x6d n SER 118 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42