#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 -0.03 -0.23 1.61 0.15 -1.26 -5.15 113.70 108.79 1x6d s SER 2 Ca 0.00 -0.01 -0.04 0.00 0.70 0.00 0.00 55.95 56.60 1x6d s SER 2 Cb 0.00 0.04 0.12 0.00 -1.71 0.00 0.00 66.02 64.47 1x6d s SER 2 CO 0.00 -0.06 0.40 -0.94 1.20 0.00 0.00 173.24 173.84 1x6d s SER 3 N -2.34 0.01 0.21 5.45 1.04 -1.26 -5.13 113.70 111.68 1x6d s SER 3 Ca 0.12 0.52 0.00 0.00 0.48 0.00 0.00 55.95 57.07 1x6d s SER 3 Cb 0.02 1.23 0.00 0.00 0.10 0.00 0.00 66.02 67.37 1x6d s SER 3 CO -0.04 -0.27 0.00 0.61 0.98 0.00 0.00 173.24 174.52 1x6d n GLY 4 N 5.38 -0.89 2.19 7.32 0.00 -1.26 -5.00 105.19 112.93 1x6d n GLY 4 Ca -0.05 -0.56 0.00 0.00 0.00 0.00 0.00 46.02 45.41 1x6d n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1x6d n SER 5 N -4.30 -4.09 -3.77 1.61 2.88 -1.26 -5.17 113.62 99.53 1x6d n SER 5 Ca 0.00 0.88 -0.04 0.00 -1.33 0.00 0.00 58.87 58.38 1x6d n SER 5 Cb 0.30 3.81 -0.01 0.00 -0.75 0.00 0.00 64.21 67.55 1x6d n SER 5 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1x6d s SER 6 N -2.00 -0.19 -0.20 -3.46 0.15 -1.26 -5.11 113.70 101.64 1x6d s SER 6 Ca 0.00 -0.47 -0.30 0.00 0.70 0.00 0.00 55.95 55.88 1x6d s SER 6 Cb 0.00 0.55 -0.07 0.00 -1.71 0.00 0.00 66.02 64.79 1x6d s SER 6 CO 0.00 -1.02 2.15 0.61 1.20 0.00 0.00 173.24 176.18 1x6d n GLY 7 N -0.47 1.08 3.87 9.45 0.00 -1.26 -4.95 105.19 112.91 1x6d n GLY 7 Ca -0.05 0.82 -0.21 0.00 0.00 0.00 0.00 46.02 46.58 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 7.24 4.01 -0.56 4.61 0.00 -1.26 -5.00 121.76 130.81 1x6d s ALA 8 Ca 1.00 -1.80 -0.07 0.00 0.00 0.00 0.00 51.96 51.09 1x6d s ALA 8 Cb -0.48 -1.09 -0.15 0.00 0.00 0.00 0.00 23.12 21.40 1x6d s ALA 8 CO 0.40 -0.15 3.26 2.41 0.00 0.00 0.00 175.76 181.69 1x6d n THR 9 N -1.50 3.53 -4.25 0.00 -1.04 -1.26 -4.82 114.28 104.93 1x6d n THR 9 Ca 0.02 -2.16 -0.14 0.00 -2.04 0.00 0.00 64.05 59.72 1x6d n THR 9 Cb 0.61 -2.10 -0.10 0.00 -1.82 0.00 0.00 70.33 66.92 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 -0.40 1.39 0.02 -4.42 1.43 -1.26 -5.09 118.68 110.35 1x6d s LEU 10 Ca 0.66 -1.38 0.00 0.00 -1.03 0.00 0.00 54.13 52.38 1x6d s LEU 10 Cb 0.29 0.21 0.00 0.00 0.03 0.00 0.00 46.19 46.72 1x6d s LEU 10 CO -0.05 -0.79 0.00 0.29 0.23 0.00 0.00 176.35 176.03 1x6d n LYS 11 N -0.35 0.00 -1.95 1.70 4.76 -1.26 -4.96 118.16 116.10 1x6d n LYS 11 Ca 0.01 0.00 -0.36 0.00 -2.87 0.00 0.00 58.31 55.09 1x6d n LYS 11 Cb 0.66 -0.00 -0.04 0.00 -1.84 0.00 0.00 35.03 33.81 1x6d n LYS 11 CO 0.00 0.00 0.00 1.04 -1.37 0.00 0.00 177.40 177.07 1x6d n GLN 12 N -2.58 2.07 -1.95 1.97 6.02 -1.26 -4.91 117.38 116.73 1x6d n GLN 12 Ca 0.00 -2.53 -0.42 0.00 -0.01 0.00 0.00 57.00 54.04 1x6d n GLN 12 Cb 0.00 -3.45 -0.03 0.00 1.02 0.00 0.00 30.24 27.78 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 6.42 4.34 0.44 1.08 1.98 -1.26 -4.69 118.68 126.99 1x6d s LEU 13 Ca 0.61 2.31 0.00 0.00 -2.89 0.00 0.00 54.13 54.15 1x6d s LEU 13 Cb 0.05 -3.53 0.00 0.00 0.66 0.00 0.00 46.19 43.37 1x6d s LEU 13 CO 0.10 -0.95 0.00 -0.67 -1.89 0.00 0.00 176.35 172.94 1x6d n ASP 14 N 7.19 -7.14 -2.62 3.68 2.03 -1.26 -4.48 116.55 113.95 1x6d n ASP 14 Ca 0.18 0.95 -0.35 0.00 0.52 0.00 0.00 54.79 56.09 1x6d n ASP 14 Cb 0.42 -3.98 0.04 0.00 -0.72 0.00 0.00 41.12 36.88 1x6d n ASP 14 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1x6d n GLY 15 N -4.01 5.78 3.47 0.27 0.00 -1.26 -4.97 105.19 104.47 1x6d n GLY 15 Ca -0.04 -2.53 -0.33 0.00 0.00 0.00 0.00 46.02 43.12 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 -5.09 3.40 -0.18 -0.61 -1.09 -1.26 -3.68 121.20 112.69 1x6d s ILE 16 Ca 0.54 -0.56 -0.02 0.00 -2.23 0.00 0.00 60.65 58.37 1x6d s ILE 16 Cb 0.44 -2.41 0.06 0.00 -1.58 0.00 0.00 42.46 38.97 1x6d s ILE 16 CO -0.25 0.55 0.02 -2.28 -1.23 0.00 0.00 174.94 171.75 1x6d s HIS 17 N -0.17 1.19 0.37 3.97 2.46 -1.21 -5.04 115.29 116.86 1x6d s HIS 17 Ca 0.01 -0.90 -0.26 0.00 0.47 0.00 0.00 55.06 54.37 1x6d s HIS 17 Cb -0.13 -1.09 -0.09 0.00 -0.13 0.00 0.00 32.58 31.14 1x6d s HIS 17 CO 0.03 -0.60 1.17 0.08 -2.47 0.00 0.00 174.74 172.95 1x6d s VAL 18 N 1.80 3.18 -0.23 0.89 1.01 -1.26 -4.26 120.40 121.52 1x6d s VAL 18 Ca -0.01 1.04 0.02 0.00 0.00 0.00 0.00 61.98 63.03 1x6d s VAL 18 Cb -0.17 -3.61 0.05 0.00 0.00 0.00 0.00 36.38 32.66 1x6d s VAL 18 CO -0.07 0.14 -0.11 -0.89 0.00 0.00 0.00 175.10 174.17 1x6d s THR 19 N -1.35 1.93 -0.47 3.92 2.01 -1.17 -5.04 115.64 115.48 1x6d s THR 19 Ca 0.54 -1.33 -0.19 0.00 0.31 0.00 0.00 61.69 61.02 1x6d s THR 19 Cb -0.32 -2.01 0.04 0.00 0.01 0.00 0.00 72.50 70.22 1x6d s THR 19 CO 0.40 0.08 0.60 -0.63 -0.69 0.00 0.00 174.62 174.38 1x6d s ILE 20 N 1.24 4.90 -0.15 1.82 -1.09 -1.26 -3.55 121.20 123.11 1x6d s ILE 20 Ca -0.05 -0.28 -0.16 0.00 -2.23 0.00 0.00 60.65 57.93 1x6d s ILE 20 Cb -0.18 -4.22 -0.04 0.00 -1.58 0.00 0.00 42.46 36.43 1x6d s ILE 20 CO -0.07 -0.67 0.40 -0.76 -1.23 0.00 0.00 174.94 172.60 1x6d s LEU 21 N 2.60 4.24 -0.41 2.97 1.02 -1.04 -4.97 118.68 123.08 1x6d s LEU 21 Ca 0.17 0.65 -0.08 0.00 0.02 0.00 0.00 54.13 54.89 1x6d s LEU 21 Cb -0.17 -2.54 0.09 0.00 0.02 0.00 0.00 46.19 43.58 1x6d s LEU 21 CO 0.14 0.02 0.24 -1.00 0.02 0.00 0.00 176.35 175.78 1x6d s HIS 22 N 0.68 3.38 0.18 0.29 3.76 -1.26 -2.49 115.29 119.84 1x6d s HIS 22 Ca 0.21 -1.74 0.02 0.00 -0.15 0.00 0.00 55.06 53.40 1x6d s HIS 22 Cb -0.14 -3.00 -0.01 0.00 1.11 0.00 0.00 32.58 30.54 1x6d s HIS 22 CO 0.07 -0.88 0.08 0.36 -0.85 0.00 0.00 174.74 173.52 1x6d n LYS 23 N 4.84 0.64 -3.57 1.40 2.85 0.28 -5.03 118.16 119.58 1x6d n LYS 23 Ca -0.09 -1.58 -0.20 0.00 -1.05 0.00 0.00 58.31 55.39 1x6d n LYS 23 Cb 0.42 0.95 -0.01 0.00 -0.65 0.00 0.00 35.03 35.75 1x6d n LYS 23 CO 0.00 0.00 0.00 -1.21 -0.05 0.00 0.00 177.40 176.14 1x6d s GLU 24 N -2.70 3.23 -0.46 -1.58 2.02 -1.26 -4.35 118.70 113.60 1x6d s GLU 24 Ca 0.11 -0.86 -0.27 0.00 0.02 0.00 0.00 54.97 53.98 1x6d s GLU 24 Cb 0.01 -2.81 -0.05 0.00 0.10 0.00 0.00 34.13 31.37 1x6d s GLU 24 CO 0.08 0.15 2.20 -1.21 0.02 0.00 0.00 175.26 176.50 1x6d s GLU 25 N -4.16 2.49 0.00 1.61 2.02 -1.26 -1.16 118.70 118.24 1x6d s GLU 25 Ca 0.42 1.32 0.00 0.00 0.02 0.00 0.00 54.97 56.73 1x6d s GLU 25 Cb -0.09 -4.47 0.00 0.00 0.10 0.00 0.00 34.13 29.66 1x6d s GLU 25 CO 0.31 -2.85 0.00 0.41 0.02 0.00 0.00 175.26 173.15 1x6d n GLY 26 N 5.85 0.96 0.03 -1.39 0.00 -1.08 -4.97 105.19 104.58 1x6d n GLY 26 Ca 0.31 -0.51 0.11 0.00 0.00 0.00 0.00 46.02 45.93 1x6d n GLY 26 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1x6d n ALA 27 N -1.29 3.17 0.00 4.61 0.00 -0.31 -5.09 120.51 121.61 1x6d n ALA 27 Ca 0.00 -0.48 0.00 0.00 0.00 0.00 0.00 53.44 52.96 1x6d n ALA 27 Cb 0.32 -0.83 0.00 0.00 0.00 0.00 0.00 19.45 18.94 1x6d n ALA 27 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1x6d n GLY 28 N 1.30 -0.98 0.10 0.00 0.00 -1.26 -4.86 105.19 99.49 1x6d n GLY 28 Ca -0.01 -1.46 -0.16 0.00 0.00 0.00 0.00 46.02 44.39 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 0.28 0.00 0.99 3.38 -1.94 -3.45 115.31 114.58 1x6d h LEU 29 Ca 0.00 -0.81 0.00 0.00 0.09 0.00 0.00 57.88 57.16 1x6d h LEU 29 Cb 0.00 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 40.66 1x6d h LEU 29 CO 0.00 1.06 0.00 0.61 0.09 0.00 0.00 178.44 180.20 1x6d n GLY 30 N 1.17 1.56 3.37 0.83 0.00 -1.26 -2.16 105.19 108.69 1x6d n GLY 30 Ca -0.10 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.73 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 -1.85 1.70 0.30 1.61 -0.71 -1.26 -0.56 117.98 117.21 1x6d s PHE 31 Ca 0.00 -1.05 0.08 0.00 -1.04 0.00 0.00 56.93 54.92 1x6d s PHE 31 Cb 0.00 -1.04 -0.06 0.00 -1.21 0.00 0.00 43.02 40.71 1x6d s PHE 31 CO 0.00 -0.15 -0.07 0.45 -1.34 0.00 0.00 175.22 174.11 1x6d s SER 32 N -3.37 3.13 0.29 1.98 0.15 -0.56 -4.99 113.70 110.33 1x6d s SER 32 Ca 0.35 -1.19 -0.02 0.00 0.70 0.00 0.00 55.95 55.79 1x6d s SER 32 Cb 0.08 -0.24 -0.04 0.00 -1.71 0.00 0.00 66.02 64.11 1x6d s SER 32 CO 0.13 -0.29 0.52 -0.76 1.20 0.00 0.00 173.24 174.05 1x6d s LEU 33 N -3.51 4.07 0.02 3.45 1.43 -1.26 -1.43 118.68 121.45 1x6d s LEU 33 Ca 0.31 0.58 -0.03 0.00 -1.03 0.00 0.00 54.13 53.96 1x6d s LEU 33 Cb 0.03 -3.40 -0.01 0.00 0.03 0.00 0.00 46.19 42.84 1x6d s LEU 33 CO 0.14 -0.20 0.03 0.00 0.23 0.00 0.00 176.35 176.55 1x6d s ALA 34 N -2.12 -0.01 0.00 4.21 0.00 0.52 -4.19 121.76 120.17 1x6d s ALA 34 Ca 0.42 -0.49 0.00 0.00 0.00 0.00 0.00 51.96 51.89 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 0.32 -0.21 0.00 0.41 0.00 0.00 0.00 175.76 176.28 1x6d n GLY 35 N 1.36 -0.88 0.70 0.00 0.00 -1.26 0.13 105.19 105.23 1x6d n GLY 35 Ca -0.22 -1.68 0.00 0.00 0.00 0.00 0.00 46.02 44.12 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 -0.92 0.61 0.11 -0.02 0.00 -0.03 -4.30 105.19 100.65 1x6d n GLY 36 Ca 0.00 -0.88 -0.20 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 2.00 0.05 0.00 4.61 0.00 -1.69 -2.96 119.26 121.27 1x6d h ALA 37 Ca -0.04 -0.86 0.00 0.00 0.00 0.00 0.00 54.91 54.01 1x6d h ALA 37 Cb 0.21 0.28 0.00 0.00 0.00 0.00 0.00 17.79 18.28 1x6d h ALA 37 CO 0.06 0.53 0.00 -3.47 0.00 0.00 0.00 179.25 176.37 1x6d n ASP 38 N -4.13 0.29 -4.02 0.00 2.03 -1.26 -4.74 116.55 104.72 1x6d n ASP 38 Ca -0.19 0.56 -0.22 0.00 0.52 0.00 0.00 54.79 55.46 1x6d n ASP 38 Cb 0.80 -0.63 0.13 0.00 -0.72 0.00 0.00 41.12 40.70 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 -1.81 0.00 0.14 -2.67 4.32 -1.23 -4.99 117.00 110.76 1x6d n LEU 39 Ca 0.04 -1.64 0.02 0.00 -0.02 0.00 0.00 56.01 54.41 1x6d n LEU 39 Cb 0.24 -0.66 0.07 0.00 -1.62 0.00 0.00 43.42 41.45 1x6d n LEU 39 CO 0.19 -1.05 0.47 -0.33 -1.22 0.00 0.00 177.39 175.45 1x6d h GLU 40 N 0.00 0.00 -4.01 3.23 4.39 -1.85 -3.40 114.58 112.94 1x6d h GLU 40 Ca -0.31 0.00 -0.77 0.00 0.34 0.00 0.00 59.36 58.62 1x6d h GLU 40 Cb 1.04 0.00 -0.25 0.00 -0.10 0.00 0.00 28.75 29.44 1x6d h GLU 40 CO 0.29 0.55 -0.13 0.54 -1.16 0.00 0.00 179.01 179.11 1x6d s ASN 41 N -6.49 6.35 0.18 1.42 2.20 -1.26 -4.91 114.94 112.43 1x6d s ASN 41 Ca 0.03 -2.09 -0.13 0.00 -0.94 0.00 0.00 52.86 49.73 1x6d s ASN 41 Cb 0.09 -2.20 0.15 0.00 -2.00 0.00 0.00 41.25 37.29 1x6d s ASN 41 CO 0.74 -0.76 1.78 0.50 -2.94 0.00 0.00 177.10 176.42 1x6d h LYS 42 N 8.50 0.46 -6.20 3.55 1.63 -1.74 -0.05 116.57 122.73 1x6d h LYS 42 Ca -0.16 -0.03 -0.56 0.00 -0.85 0.00 0.00 60.65 59.05 1x6d h LYS 42 Cb 1.08 -0.10 -0.04 0.00 -0.60 0.00 0.00 32.23 32.56 1x6d h LYS 42 CO 0.94 0.30 0.47 0.54 -3.45 0.00 0.00 179.45 178.25 1x6d s VAL 43 N -6.13 4.84 0.21 2.00 0.11 -1.26 -4.29 120.40 115.88 1x6d s VAL 43 Ca -0.13 1.92 -0.30 0.00 -2.93 0.00 0.00 61.98 60.54 1x6d s VAL 43 Cb 0.14 -4.26 -0.08 0.00 -1.53 0.00 0.00 36.38 30.65 1x6d s VAL 43 CO 0.73 0.05 1.18 -0.63 -3.33 0.00 0.00 175.10 173.11 1x6d s ILE 44 N 1.80 3.51 0.43 7.04 1.09 -1.26 -4.65 121.20 129.16 1x6d s ILE 44 Ca 0.46 1.32 0.05 0.00 -1.10 0.00 0.00 60.65 61.38 1x6d s ILE 44 Cb -0.18 -3.84 -0.05 0.00 -1.06 0.00 0.00 42.46 37.32 1x6d s ILE 44 CO 0.18 0.24 0.02 0.42 -0.10 0.00 0.00 174.94 175.70 1x6d s THR 45 N -0.32 1.53 -0.61 2.92 -4.23 0.34 -0.28 115.64 114.98 1x6d s THR 45 Ca 0.51 -2.00 -0.27 0.00 -1.18 0.00 0.00 61.69 58.75 1x6d s THR 45 Cb -0.33 -2.67 0.01 0.00 1.34 0.00 0.00 72.50 70.85 1x6d s THR 45 CO 0.38 0.00 1.49 -0.69 -0.54 0.00 0.00 174.62 175.26 1x6d s VAL 46 N -2.88 3.66 0.07 2.29 1.01 -0.88 0.19 120.40 123.87 1x6d s VAL 46 Ca 0.26 0.49 -0.32 0.00 0.00 0.00 0.00 61.98 62.41 1x6d s VAL 46 Cb 0.07 -4.43 -0.15 0.00 0.00 0.00 0.00 36.38 31.87 1x6d s VAL 46 CO 0.13 -1.27 1.49 -0.74 0.00 0.00 0.00 175.10 174.71 1x6d h HIS 47 N 11.73 -1.25 -3.36 5.22 2.76 -1.41 -1.37 115.15 127.46 1x6d h HIS 47 Ca -0.27 0.01 -0.08 0.00 -2.20 0.00 0.00 60.37 57.83 1x6d h HIS 47 Cb 1.10 0.49 -0.15 0.00 1.55 0.00 0.00 27.41 30.39 1x6d h HIS 47 CO 1.06 -0.60 -0.20 1.03 -1.30 0.00 0.00 177.93 177.92 1x6d s ARG 48 N -5.51 0.90 -0.40 5.26 3.00 -1.25 -4.64 118.95 116.32 1x6d s ARG 48 Ca -0.16 -0.61 0.03 0.00 0.00 0.00 0.00 55.73 54.99 1x6d s ARG 48 Cb 0.04 0.39 0.11 0.00 0.00 0.00 0.00 34.95 35.49 1x6d s ARG 48 CO 0.53 -0.31 0.14 0.08 0.00 0.00 0.00 175.30 175.74 1x6d s VAL 49 N -3.09 1.92 0.61 3.52 1.01 -1.26 -1.50 120.40 121.62 1x6d s VAL 49 Ca -0.01 -2.43 -0.15 0.00 0.00 0.00 0.00 61.98 59.38 1x6d s VAL 49 Cb 0.01 -2.39 -0.13 0.00 0.00 0.00 0.00 36.38 33.87 1x6d s VAL 49 CO -0.07 -0.72 -0.35 0.49 0.00 0.00 0.00 175.10 174.45 1x6d n PHE 50 N 3.97 -3.36 0.10 5.22 3.72 0.28 -4.85 117.46 122.54 1x6d n PHE 50 Ca 0.04 0.22 -0.05 0.00 -0.05 0.00 0.00 57.45 57.60 1x6d n PHE 50 Cb 0.38 -1.37 0.05 0.00 -0.94 0.00 0.00 39.48 37.60 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 -0.36 0.09 -3.34 -1.08 0.13 -1.99 -3.38 132.00 122.06 1x6d h PRO 51 Ca -0.37 -0.09 -0.66 0.00 -0.87 0.00 0.00 66.00 64.02 1x6d h PRO 51 Cb 1.20 0.02 -0.39 0.00 0.13 0.00 0.00 31.00 31.96 1x6d h PRO 51 CO 0.30 0.82 -0.48 -0.80 -0.23 0.00 0.00 178.00 177.60 1x6d s ASN 52 N -6.85 4.88 0.19 1.44 0.01 -1.26 -4.92 114.94 108.43 1x6d s ASN 52 Ca -0.02 -3.28 -0.05 0.00 -0.71 0.00 0.00 52.86 48.80 1x6d s ASN 52 Cb 0.11 -1.73 0.02 0.00 0.41 0.00 0.00 41.25 40.07 1x6d s ASN 52 CO 0.80 -0.22 0.35 0.61 -1.51 0.00 0.00 177.10 177.13 1x6d n GLY 53 N 2.81 1.87 0.12 0.66 0.00 -1.26 -4.95 105.19 104.43 1x6d n GLY 53 Ca 0.11 -1.26 -0.21 0.00 0.00 0.00 0.00 46.02 44.67 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 0.19 -0.55 0.99 4.07 -1.74 -3.11 115.31 115.16 1x6d h LEU 54 Ca -0.16 -0.73 0.10 0.00 0.08 0.00 0.00 57.88 57.17 1x6d h LEU 54 Cb 0.62 -0.06 -0.11 0.00 1.08 0.00 0.00 40.66 42.19 1x6d h LEU 54 CO 0.21 1.57 -0.32 0.00 -1.08 0.00 0.00 178.44 178.82 1x6d h ALA 55 N -0.22 -0.04 -0.33 1.53 0.00 -1.76 0.15 119.26 118.58 1x6d h ALA 55 Ca -0.33 0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.74 1x6d h ALA 55 Cb 1.56 0.74 -0.02 0.00 0.00 0.00 0.00 17.79 20.08 1x6d h ALA 55 CO -0.06 -0.67 0.21 1.03 0.00 0.00 0.00 179.25 179.76 1x6d h SER 56 N -0.17 0.39 -0.59 0.00 0.87 -1.80 -1.72 113.55 110.53 1x6d h SER 56 Ca 0.23 -0.03 0.11 0.00 -1.23 0.00 0.00 61.79 60.86 1x6d h SER 56 Cb 0.54 -0.10 -0.12 0.00 -0.44 0.00 0.00 62.40 62.29 1x6d h SER 56 CO -0.65 0.31 -0.30 1.56 -0.53 0.00 0.00 176.83 177.22 1x6d h GLN 57 N 0.44 -0.13 0.54 2.24 4.20 -0.74 -1.45 115.11 120.21 1x6d h GLN 57 Ca 0.12 0.01 -0.02 0.00 0.06 0.00 0.00 58.65 58.82 1x6d h GLN 57 Cb -0.02 0.03 -0.00 0.00 0.30 0.00 0.00 27.48 27.79 1x6d h GLN 57 CO -0.02 -0.09 -0.31 1.49 -0.67 0.00 0.00 178.83 179.23 1x6d h GLU 58 N -0.14 -0.77 0.00 1.46 4.57 -0.66 -3.47 114.58 115.58 1x6d h GLU 58 Ca 0.25 0.05 0.00 0.00 -1.18 0.00 0.00 59.36 58.48 1x6d h GLU 58 Cb 0.54 0.18 0.00 0.00 -0.16 0.00 0.00 28.75 29.30 1x6d h GLU 58 CO -0.67 -0.51 0.00 0.41 -1.18 0.00 0.00 179.01 177.05 1x6d n GLY 59 N -1.45 0.83 0.11 1.92 0.00 -0.55 -4.96 105.19 101.08 1x6d n GLY 59 Ca -0.12 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.70 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 1.15 -2.38 2.61 2.02 -1.85 -3.41 112.91 111.04 1x6d h THR 60 Ca 0.00 -2.31 -0.68 0.00 0.77 0.00 0.00 66.41 64.20 1x6d h THR 60 Cb 0.00 2.68 -0.17 0.00 -1.74 0.00 0.00 68.15 68.92 1x6d h THR 60 CO 0.00 0.54 0.82 -0.63 0.37 0.00 0.00 175.52 176.62 1x6d s ILE 61 N -2.38 4.64 -0.14 3.11 1.01 -1.26 -4.99 121.20 121.19 1x6d s ILE 61 Ca -0.23 -1.38 -0.04 0.00 0.00 0.00 0.00 60.65 59.00 1x6d s ILE 61 Cb 0.03 -4.78 -0.03 0.00 0.01 0.00 0.00 42.46 37.69 1x6d s ILE 61 CO 0.68 -1.52 0.00 -1.10 0.00 0.00 0.00 174.94 173.01 1x6d s GLN 62 N 2.96 3.53 0.05 2.79 -0.21 -1.26 -4.56 119.66 122.96 1x6d s GLN 62 Ca 0.32 -0.43 -0.32 0.00 0.02 0.00 0.00 55.36 54.94 1x6d s GLN 62 Cb -0.06 -2.95 -0.17 0.00 1.00 0.00 0.00 33.01 30.83 1x6d s GLN 62 CO -0.07 0.41 0.80 0.36 -2.12 0.00 0.00 175.29 174.66 1x6d n LYS 63 N 3.06 0.00 0.00 2.91 2.85 -1.26 0.19 118.16 125.91 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 -1.18 0.00 0.00 -0.65 0.00 0.00 35.03 33.73 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 1.43 3.21 3.34 2.58 0.00 -0.52 -4.97 105.19 110.25 1x6d n GLY 64 Ca 0.17 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.86 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 0.00 -2.27 -4.55 1.61 5.03 0.13 -4.63 115.26 110.58 1x6d n ASN 65 Ca 0.00 0.08 -0.37 0.00 0.87 0.00 0.00 54.58 55.17 1x6d n ASN 65 Cb 0.00 -1.07 -0.11 0.00 -1.02 0.00 0.00 39.78 37.58 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 -3.52 3.85 -0.60 3.52 2.12 -1.26 -2.06 118.70 120.74 1x6d s GLU 66 Ca 0.56 -0.38 -0.19 0.00 0.36 0.00 0.00 54.97 55.32 1x6d s GLU 66 Cb -0.16 -3.46 0.10 0.00 0.26 0.00 0.00 34.13 30.87 1x6d s GLU 66 CO 0.67 -0.10 0.72 0.08 -0.54 0.00 0.00 175.26 176.09 1x6d s VAL 67 N 1.46 4.80 -0.02 3.70 1.01 0.61 -3.80 120.40 128.16 1x6d s VAL 67 Ca 0.06 -0.98 -0.23 0.00 0.00 0.00 0.00 61.98 60.83 1x6d s VAL 67 Cb -0.15 -4.51 -0.21 0.00 0.00 0.00 0.00 36.38 31.51 1x6d s VAL 67 CO 0.06 -1.15 1.13 -0.07 0.00 0.00 0.00 175.10 175.07 1x6d h LEU 68 N 10.04 0.31 -7.68 3.92 3.38 -1.48 -3.36 115.31 120.43 1x6d h LEU 68 Ca -0.29 -0.69 -0.03 0.00 0.09 0.00 0.00 57.88 56.96 1x6d h LEU 68 Cb 1.08 -0.09 -0.11 0.00 0.09 0.00 0.00 40.66 41.64 1x6d h LEU 68 CO 1.10 0.95 -0.02 -0.94 0.09 0.00 0.00 178.44 179.62 1x6d s SER 69 N -6.32 -0.22 -0.12 -0.43 1.04 -1.25 -3.01 113.70 103.39 1x6d s SER 69 Ca -0.15 -0.50 -0.04 0.00 0.48 0.00 0.00 55.95 55.74 1x6d s SER 69 Cb 0.02 0.55 0.06 0.00 0.10 0.00 0.00 66.02 66.75 1x6d s SER 69 CO 0.76 -1.01 0.14 -0.63 0.98 0.00 0.00 173.24 173.48 1x6d s ILE 70 N -3.88 -0.22 0.00 -1.02 1.01 -0.87 -2.61 121.20 113.61 1x6d s ILE 70 Ca 0.09 0.14 0.00 0.00 0.00 0.00 0.00 60.65 60.89 1x6d s ILE 70 Cb -0.00 -0.42 0.00 0.00 0.01 0.00 0.00 42.46 42.04 1x6d s ILE 70 CO -0.04 -0.02 0.00 -3.20 0.00 0.00 0.00 174.94 171.68 1x6d n ASN 71 N 5.31 -2.83 0.00 3.58 4.05 0.43 -2.80 115.26 123.01 1x6d n ASN 71 Ca -0.05 0.00 0.00 0.00 0.45 0.00 0.00 54.58 54.98 1x6d n ASN 71 Cb 0.50 -0.47 0.00 0.00 1.23 0.00 0.00 39.78 41.03 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 -2.94 0.70 3.50 8.20 0.00 -1.25 -4.89 105.19 108.51 1x6d n GLY 72 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 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 -0.69 3.22 0.42 1.61 2.20 -1.12 -5.05 119.74 120.33 1x6d s LYS 73 Ca 0.00 -0.60 -0.22 0.00 -0.36 0.00 0.00 55.97 54.79 1x6d s LYS 73 Cb 0.00 -3.93 -0.10 0.00 -1.51 0.00 0.00 37.83 32.29 1x6d s LYS 73 CO 0.00 -0.83 0.98 -1.12 -0.36 0.00 0.00 175.35 174.02 1x6d s SER 74 N 1.83 6.87 -0.61 1.43 0.01 -1.26 -2.06 113.70 119.91 1x6d s SER 74 Ca 0.15 1.82 -0.26 0.00 1.31 0.00 0.00 55.95 58.96 1x6d s SER 74 Cb -0.16 -2.56 0.04 0.00 0.21 0.00 0.00 66.02 63.55 1x6d s SER 74 CO 0.14 -0.41 1.12 -0.76 0.41 0.00 0.00 173.24 173.75 1x6d s LEU 75 N -2.94 3.65 -0.02 2.44 1.43 -1.16 -4.83 118.68 117.24 1x6d s LEU 75 Ca 0.60 -0.24 0.07 0.00 -1.03 0.00 0.00 54.13 53.53 1x6d s LEU 75 Cb -0.14 -2.87 0.25 0.00 0.03 0.00 0.00 46.19 43.46 1x6d s LEU 75 CO 0.19 -1.49 1.13 2.29 0.23 0.00 0.00 176.35 178.70 1x6d n LYS 76 N 8.31 1.83 0.00 1.70 0.00 -1.26 -4.70 118.16 124.05 1x6d n LYS 76 Ca 0.04 -1.00 0.00 0.00 -0.00 0.00 0.00 58.31 57.35 1x6d n LYS 76 Cb 0.48 -1.36 0.00 0.00 -0.00 0.00 0.00 35.03 34.15 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 0.73 1.95 3.76 2.58 0.00 -1.26 -5.10 105.19 107.85 1x6d n GLY 77 Ca 0.09 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.72 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 3.30 -0.31 2.61 -1.04 -1.26 -4.42 114.28 112.97 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 -1.78 0.00 0.00 -1.82 0.00 0.00 70.33 66.73 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 -0.60 0.00 -0.01 12.58 -2.24 -1.26 -2.70 114.28 120.05 1x6d n THR 79 Ca 0.08 0.00 -0.16 0.00 -2.27 0.00 0.00 64.05 61.69 1x6d n THR 79 Cb 0.43 -0.97 -0.10 0.00 -2.10 0.00 0.00 70.33 67.58 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 -1.15 0.52 0.27 4.78 2.76 -1.92 -2.96 115.15 117.45 1x6d h HIS 80 Ca 0.00 -0.27 -0.01 0.00 -2.20 0.00 0.00 60.37 57.89 1x6d h HIS 80 Cb 0.00 -0.07 0.00 0.00 1.55 0.00 0.00 27.41 28.90 1x6d h HIS 80 CO 0.00 1.06 -0.13 1.25 -1.30 0.00 0.00 177.93 178.81 1x6d h HIS 81 N -0.16 -0.34 -1.83 5.26 -0.00 -1.93 0.66 115.15 116.81 1x6d h HIS 81 Ca -0.05 -0.01 0.54 0.00 -0.00 0.00 0.00 60.37 60.85 1x6d h HIS 81 Cb 1.17 0.11 -0.08 0.00 -0.00 0.00 0.00 27.41 28.61 1x6d h HIS 81 CO 0.15 -0.21 1.31 -0.25 -0.00 0.00 0.00 177.93 178.93 1x6d n ASP 82 N -3.75 0.02 -0.06 3.26 9.92 -1.26 0.16 116.55 124.84 1x6d n ASP 82 Ca -0.05 0.98 -0.08 0.00 -0.53 0.00 0.00 54.79 55.11 1x6d n ASP 82 Cb 0.14 -0.49 -0.07 0.00 -0.64 0.00 0.00 41.12 40.06 1x6d n ASP 82 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1x6d h ALA 83 N 0.99 0.00 -0.59 2.24 0.00 -1.41 -2.25 119.26 118.25 1x6d h ALA 83 Ca 0.89 -0.30 0.12 0.00 0.00 0.00 0.00 54.91 55.62 1x6d h ALA 83 Cb 3.52 0.02 -0.10 0.00 0.00 0.00 0.00 17.79 21.22 1x6d h ALA 83 CO -0.05 0.01 -0.01 -0.07 0.00 0.00 0.00 179.25 179.14 1x6d h LEU 84 N -1.00 -0.27 0.73 0.00 3.38 0.40 0.39 115.31 118.94 1x6d h LEU 84 Ca -0.00 0.15 -0.04 0.00 0.09 0.00 0.00 57.88 58.08 1x6d h LEU 84 Cb 0.59 0.26 0.01 0.00 0.09 0.00 0.00 40.66 41.60 1x6d h LEU 84 CO -0.00 -0.11 -0.36 0.00 0.09 0.00 0.00 178.44 178.06 1x6d h ALA 85 N 1.54 -1.00 -1.10 1.53 0.00 -0.23 0.61 119.26 120.61 1x6d h ALA 85 Ca 0.31 -0.22 0.30 0.00 0.00 0.00 0.00 54.91 55.30 1x6d h ALA 85 Cb 0.49 0.40 -0.09 0.00 0.00 0.00 0.00 17.79 18.58 1x6d h ALA 85 CO -0.51 -1.06 0.72 0.82 0.00 0.00 0.00 179.25 179.22 1x6d h ILE 86 N -0.99 0.45 -0.17 0.00 2.04 -0.64 1.62 117.51 119.81 1x6d h ILE 86 Ca -0.10 -0.10 -0.15 0.00 1.00 0.00 0.00 64.86 65.51 1x6d h ILE 86 Cb 0.77 0.12 -0.01 0.00 -0.74 0.00 0.00 36.82 36.96 1x6d h ILE 86 CO 0.16 0.05 -0.51 0.25 0.00 0.00 0.00 178.15 178.10 1x6d h LEU 87 N 0.30 0.54 -0.46 1.44 7.12 0.58 -1.71 115.31 123.11 1x6d h LEU 87 Ca 0.63 -0.27 0.00 0.00 0.13 0.00 0.00 57.88 58.36 1x6d h LEU 87 Cb 1.76 -0.15 0.00 0.00 -0.53 0.00 0.00 40.66 41.74 1x6d h LEU 87 CO -0.28 0.95 0.00 0.54 -0.13 0.00 0.00 178.44 179.52 1x6d n ARG 88 N -3.97 0.18 -0.03 1.25 1.74 0.53 -2.42 116.66 113.94 1x6d n ARG 88 Ca -0.03 0.35 -0.08 0.00 -0.77 0.00 0.00 57.85 57.33 1x6d n ARG 88 Cb 0.58 -1.81 -0.14 0.00 -1.02 0.00 0.00 32.46 30.07 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 -2.14 0.64 0.00 5.56 6.02 0.05 -3.80 117.38 123.71 1x6d n GLN 89 Ca 0.03 0.21 0.10 0.00 -0.01 0.00 0.00 57.00 57.33 1x6d n GLN 89 Cb 0.27 -1.72 0.49 0.00 1.02 0.00 0.00 30.24 30.29 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 -2.58 2.03 1.02 -1.58 0.00 -0.70 -1.88 120.51 116.82 1x6d n ALA 90 Ca -0.20 -0.08 0.11 0.00 0.00 0.00 0.00 53.44 53.27 1x6d n ALA 90 Cb 1.05 -1.35 -0.00 0.00 0.00 0.00 0.00 19.45 19.14 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 -1.42 0.29 -0.19 0.00 1.85 -1.16 -4.23 116.66 111.80 1x6d n ARG 91 Ca 0.07 -0.23 -0.08 0.00 -1.00 0.00 0.00 57.85 56.61 1x6d n ARG 91 Cb 0.22 -1.50 0.02 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 0.56 0.83 0.00 2.89 4.39 -1.49 -2.87 114.58 118.88 1x6d h GLU 92 Ca 0.00 -0.15 -0.40 0.00 0.34 0.00 0.00 59.36 59.15 1x6d h GLU 92 Cb 0.55 -0.13 0.18 0.00 -0.10 0.00 0.00 28.75 29.25 1x6d h GLU 92 CO 0.00 0.72 0.26 -0.35 -1.16 0.00 0.00 179.01 178.48 1x6d n PRO 93 N -4.50 -2.14 0.08 2.33 -0.04 -1.26 -3.33 135.00 126.14 1x6d n PRO 93 Ca 0.03 -1.83 0.08 0.00 -0.04 0.00 0.00 63.50 61.74 1x6d n PRO 93 Cb 0.17 -1.44 -0.03 0.00 -0.04 0.00 0.00 33.50 32.16 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 -4.20 0.61 -4.35 0.54 1.74 -1.26 -4.18 116.66 105.56 1x6d n ARG 94 Ca 0.15 0.14 -0.26 0.00 -0.77 0.00 0.00 57.85 57.12 1x6d n ARG 94 Cb 0.56 -1.81 -0.12 0.00 -1.02 0.00 0.00 32.46 30.06 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 -3.24 1.30 0.01 5.56 0.74 -1.26 0.10 119.66 122.87 1x6d s GLN 95 Ca -0.01 -1.32 0.00 0.00 0.05 0.00 0.00 55.36 54.08 1x6d s GLN 95 Cb 0.09 -1.62 -0.01 0.00 1.10 0.00 0.00 33.01 32.58 1x6d s GLN 95 CO 0.80 0.37 -0.02 0.00 -0.55 0.00 0.00 175.29 175.89 1x6d s ALA 96 N -1.36 0.15 -0.20 1.58 0.00 -1.04 -4.91 121.76 115.97 1x6d s ALA 96 Ca 0.13 -0.20 0.01 0.00 0.00 0.00 0.00 51.96 51.89 1x6d s ALA 96 Cb -0.09 0.01 0.02 0.00 0.00 0.00 0.00 23.12 23.06 1x6d s ALA 96 CO 0.06 -0.01 -0.15 0.08 0.00 0.00 0.00 175.76 175.74 1x6d s VAL 97 N -0.38 2.30 -0.10 0.00 1.01 -1.26 -2.51 120.40 119.46 1x6d s VAL 97 Ca -0.03 -1.01 0.02 0.00 0.00 0.00 0.00 61.98 60.95 1x6d s VAL 97 Cb -0.03 -2.06 0.01 0.00 0.00 0.00 0.00 36.38 34.31 1x6d s VAL 97 CO -0.00 0.40 -0.14 -0.63 0.00 0.00 0.00 175.10 174.73 1x6d s ILE 98 N 1.28 1.39 -0.34 2.22 1.09 -1.23 0.16 121.20 125.77 1x6d s ILE 98 Ca 0.02 -0.58 -0.11 0.00 -1.10 0.00 0.00 60.65 58.88 1x6d s ILE 98 Cb -0.15 -1.28 0.00 0.00 -1.06 0.00 0.00 42.46 39.98 1x6d s ILE 98 CO -0.10 0.42 0.20 -0.69 -0.10 0.00 0.00 174.94 174.67 1x6d s VAL 99 N 0.97 4.83 0.10 2.92 1.01 -1.07 -3.03 120.40 126.13 1x6d s VAL 99 Ca -0.08 -0.50 0.03 0.00 0.00 0.00 0.00 61.98 61.43 1x6d s VAL 99 Cb -0.15 -3.54 -0.04 0.00 0.00 0.00 0.00 36.38 32.65 1x6d s VAL 99 CO -0.01 -0.06 -0.08 0.42 0.00 0.00 0.00 175.10 175.37 1x6d s THR 100 N 1.63 0.83 0.23 3.92 -4.23 -1.26 -1.46 115.64 115.31 1x6d s THR 100 Ca 0.04 -1.79 0.07 0.00 -1.18 0.00 0.00 61.69 58.83 1x6d s THR 100 Cb -0.18 -1.51 -0.04 0.00 1.34 0.00 0.00 72.50 72.11 1x6d s THR 100 CO 0.08 -0.71 0.17 -0.13 -0.54 0.00 0.00 174.62 173.49 1x6d s ARG 101 N -3.30 2.89 -0.68 3.99 0.52 -1.25 -3.34 118.95 117.79 1x6d s ARG 101 Ca 0.09 -1.02 -0.27 0.00 -0.52 0.00 0.00 55.73 54.00 1x6d s ARG 101 Cb 0.01 -2.57 0.03 0.00 0.52 0.00 0.00 34.95 32.94 1x6d s ARG 101 CO -0.02 0.42 1.25 0.15 0.02 0.00 0.00 175.30 177.12 1x6d s LYS 102 N -3.65 3.31 0.30 3.54 -0.14 -1.24 -4.45 119.74 117.40 1x6d s LYS 102 Ca 0.32 -0.05 0.09 0.00 -1.36 0.00 0.00 55.97 54.98 1x6d s LYS 102 Cb -0.08 -4.12 -0.04 0.00 -1.68 0.00 0.00 37.83 31.91 1x6d s LYS 102 CO 0.24 -1.97 0.07 -0.51 -0.76 0.00 0.00 175.35 172.42 1x6d s LEU 103 N 5.46 3.24 0.25 3.17 1.43 -1.26 -5.13 118.68 125.84 1x6d s LEU 103 Ca 0.38 -0.70 0.08 0.00 -1.03 0.00 0.00 54.13 52.86 1x6d s LEU 103 Cb -0.08 -1.73 -0.04 0.00 0.03 0.00 0.00 46.19 44.37 1x6d s LEU 103 CO 0.19 -0.15 0.13 0.42 0.23 0.00 0.00 176.35 177.17 1x6d s THR 104 N -2.37 4.12 -0.04 5.49 -4.23 -1.26 -4.99 115.64 112.35 1x6d s THR 104 Ca 0.34 -1.56 -0.06 0.00 -1.18 0.00 0.00 61.69 59.23 1x6d s THR 104 Cb -0.04 -3.21 -0.03 0.00 1.34 0.00 0.00 72.50 70.55 1x6d s THR 104 CO 0.21 -0.35 0.34 1.55 -0.54 0.00 0.00 174.62 175.84 1x6d h PRO 105 N 1.67 -0.22 -3.03 3.99 0.13 -2.00 -3.48 132.00 129.06 1x6d h PRO 105 Ca -0.47 0.01 -0.17 0.00 -0.87 0.00 0.00 66.00 64.50 1x6d h PRO 105 Cb 1.24 0.05 -0.27 0.00 0.13 0.00 0.00 31.00 32.14 1x6d h PRO 105 CO 0.61 -0.14 -0.44 -1.21 -0.23 0.00 0.00 178.00 176.59 1x6d s GLU 106 N -2.26 0.27 -0.45 0.86 2.02 -1.26 -4.98 118.70 112.90 1x6d s GLU 106 Ca -0.03 0.47 -0.30 0.00 0.02 0.00 0.00 54.97 55.13 1x6d s GLU 106 Cb 0.00 0.01 0.04 0.00 0.10 0.00 0.00 34.13 34.29 1x6d s GLU 106 CO 0.10 -0.10 0.64 0.00 0.02 0.00 0.00 175.26 175.92 1x6d n ALA 107 N 3.61 -2.57 -1.61 5.21 0.00 -1.26 -4.71 120.51 119.18 1x6d n ALA 107 Ca -0.19 0.63 -0.55 0.00 0.00 0.00 0.00 53.44 53.33 1x6d n ALA 107 Cb 0.56 -2.78 -0.07 0.00 0.00 0.00 0.00 19.45 17.16 1x6d n ALA 107 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1x6d n MET 108 N -0.29 0.95 -1.54 0.00 0.00 -1.26 -4.93 117.12 110.05 1x6d n MET 108 Ca -0.02 0.34 -0.29 0.00 0.00 0.00 0.00 57.70 57.74 1x6d n MET 108 Cb 0.60 -1.97 0.14 0.00 0.00 0.00 0.00 33.22 31.99 1x6d n MET 108 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 175.97 174.72 1x6d s PRO 109 N 1.20 1.01 -0.57 3.17 0.04 -1.26 -5.00 135.00 133.59 1x6d s PRO 109 Ca 0.89 0.23 -0.17 0.00 0.04 0.00 0.00 61.00 61.99 1x6d s PRO 109 Cb -1.04 -1.83 0.12 0.00 0.04 0.00 0.00 34.50 31.78 1x6d s PRO 109 CO 0.54 -2.27 0.60 0.16 0.04 0.00 0.00 177.00 176.06 1x6d s ASP 110 N -4.08 6.19 -1.18 6.66 -4.77 -1.26 -4.94 116.67 113.29 1x6d s ASP 110 Ca 0.65 -1.61 -0.07 0.00 -3.30 0.00 0.00 52.55 48.21 1x6d s ASP 110 Cb -0.14 -2.26 -0.01 0.00 -1.09 0.00 0.00 42.92 39.42 1x6d s ASP 110 CO 0.53 -0.99 2.80 0.18 0.70 0.00 0.00 175.17 178.40 1x6d n LEU 111 N 5.78 7.81 0.00 2.11 4.32 -1.26 -4.78 117.00 130.98 1x6d n LEU 111 Ca -0.12 -4.39 0.00 0.00 -0.02 0.00 0.00 56.01 51.48 1x6d n LEU 111 Cb 0.41 -1.43 0.00 0.00 -1.62 0.00 0.00 43.42 40.78 1x6d n LEU 111 CO 0.56 1.99 0.00 -3.20 -1.22 0.00 0.00 177.39 175.52 1x6d n ASN 112 N 2.42 0.00 -3.60 -1.43 5.15 -1.26 -5.19 115.26 111.35 1x6d n ASN 112 Ca 0.65 0.00 -0.07 0.00 -0.60 0.00 0.00 54.58 54.56 1x6d n ASN 112 Cb 0.36 0.00 -0.04 0.00 -0.53 0.00 0.00 39.78 39.56 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 0.00 -0.22 -0.64 1.20 0.15 -1.26 -5.09 113.70 107.83 1x6d s SER 113 Ca 0.00 0.23 -0.38 0.00 0.70 0.00 0.00 55.95 56.50 1x6d s SER 113 Cb 0.00 0.19 -0.18 0.00 -1.71 0.00 0.00 66.02 64.31 1x6d s SER 113 CO 0.00 -0.22 2.34 -1.54 1.20 0.00 0.00 173.24 175.03 1x6d n SER 114 N 0.59 0.85 -0.80 5.45 3.41 -1.26 -4.83 113.62 117.02 1x6d n SER 114 Ca -0.06 0.42 0.00 0.00 -0.26 0.00 0.00 58.87 58.98 1x6d n SER 114 Cb 0.58 -0.99 0.00 0.00 -0.26 0.00 0.00 64.21 63.55 1x6d n SER 114 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1x6d n GLY 115 N 6.98 4.09 3.48 5.00 0.00 -1.26 -5.17 105.19 118.30 1x6d n GLY 115 Ca 0.56 -1.56 -0.28 0.00 0.00 0.00 0.00 46.02 44.74 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 0.00 -2.11 -4.60 1.61 -0.04 -1.26 -5.10 135.00 123.50 1x6d n PRO 116 Ca 0.00 -1.80 -0.27 0.00 -0.04 0.00 0.00 63.50 61.38 1x6d n PRO 116 Cb 0.00 -1.42 -0.11 0.00 -0.04 0.00 0.00 33.50 31.93 1x6d n PRO 116 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 1x6d s SER 117 N -4.96 3.66 0.12 3.54 1.04 -1.26 -5.16 113.70 110.67 1x6d s SER 117 Ca 0.69 -1.39 -0.05 0.00 0.48 0.00 0.00 55.95 55.68 1x6d s SER 117 Cb -0.04 -0.30 -0.02 0.00 0.10 0.00 0.00 66.02 65.76 1x6d s SER 117 CO 0.51 -0.50 0.15 -0.55 0.98 0.00 0.00 173.24 173.83 1x6d s SER 118 N -3.68 0.21 0.00 7.02 0.15 -1.26 -5.36 113.70 110.78 1x6d s SER 118 Ca 0.34 -0.94 0.00 0.00 0.70 0.00 0.00 55.95 56.05 1x6d s SER 118 Cb 0.09 0.34 0.00 0.00 -1.71 0.00 0.00 66.02 64.74 1x6d s SER 118 CO 0.17 -0.76 0.00 0.61 1.20 0.00 0.00 173.24 174.45