#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nyn n SER 2 N 0.00 0.00 -3.74 7.83 2.88 -1.26 -4.68 113.62 114.66 1nyn n SER 2 Ca 0.00 0.00 -0.10 0.00 -1.33 0.00 0.00 58.87 57.44 1nyn n SER 2 Cb 0.00 0.00 -0.06 0.00 -0.75 0.00 0.00 64.21 63.40 1nyn n SER 2 CO 0.00 0.00 0.00 -0.89 -1.23 0.00 0.00 175.04 172.92 1nyn s THR 3 N 0.00 0.10 0.01 2.46 2.01 -1.26 -5.18 115.64 113.78 1nyn s THR 3 Ca 0.00 -0.81 -0.00 0.00 0.31 0.00 0.00 61.69 61.19 1nyn s THR 3 Cb 0.00 -1.17 0.00 0.00 0.01 0.00 0.00 72.50 71.34 1nyn s THR 3 CO 0.00 -0.45 0.01 1.33 -0.69 0.00 0.00 174.62 174.83 1nyn n VAL 4 N 0.03 0.00 -3.73 3.82 0.24 -1.26 -5.11 118.33 112.32 1nyn n VAL 4 Ca -0.16 -0.03 -0.21 0.00 -2.04 0.00 0.00 64.34 61.90 1nyn n VAL 4 Cb 0.62 0.02 -0.04 0.00 -1.47 0.00 0.00 33.84 32.98 1nyn n VAL 4 CO 0.00 0.00 0.00 -0.89 -2.14 0.00 0.00 176.83 173.80 1nyn s THR 5 N -2.67 3.19 0.02 3.34 2.01 -1.13 -5.01 115.64 115.39 1nyn s THR 5 Ca 0.00 -1.38 0.05 0.00 0.31 0.00 0.00 61.69 60.68 1nyn s THR 5 Cb -0.00 -3.11 -0.02 0.00 0.01 0.00 0.00 72.50 69.38 1nyn s THR 5 CO 0.00 -0.11 -0.16 -0.54 -0.69 0.00 0.00 174.62 173.12 1nyn s LYS 6 N -4.04 1.12 -0.22 4.92 1.02 -1.26 -2.34 119.74 118.94 1nyn s LYS 6 Ca 0.43 -0.73 0.01 0.00 0.02 0.00 0.00 55.97 55.71 1nyn s LYS 6 Cb -0.05 -1.14 0.05 0.00 -0.52 0.00 0.00 37.83 36.18 1nyn s LYS 6 CO 0.27 0.29 -0.10 0.71 -0.92 0.00 0.00 175.35 175.60 1nyn s TYR 7 N -0.68 2.58 0.63 3.18 1.51 -0.84 -4.91 117.35 118.81 1nyn s TYR 7 Ca 0.04 -1.76 -0.08 0.00 -1.01 0.00 0.00 57.07 54.26 1nyn s TYR 7 Cb -0.07 -1.69 0.00 0.00 -0.11 0.00 0.00 41.96 40.09 1nyn s TYR 7 CO 0.01 -0.78 0.97 -0.06 -1.11 0.00 0.00 175.55 174.58 1nyn s PHE 8 N 1.34 3.33 -0.20 2.71 0.40 -1.26 -1.73 117.98 122.57 1nyn s PHE 8 Ca -0.03 0.84 -0.13 0.00 -0.60 0.00 0.00 56.93 57.02 1nyn s PHE 8 Cb -0.17 -2.83 0.06 0.00 0.51 0.00 0.00 43.02 40.59 1nyn s PHE 8 CO -0.07 -0.90 0.50 -0.47 0.70 0.00 0.00 175.22 174.97 1nyn s TYR 9 N -3.12 -0.71 -0.30 0.36 5.04 -0.37 -3.52 117.35 114.73 1nyn s TYR 9 Ca 0.55 1.52 -0.05 0.00 -2.44 0.00 0.00 57.07 56.65 1nyn s TYR 9 Cb -0.11 0.35 0.03 0.00 0.35 0.00 0.00 41.96 42.58 1nyn s TYR 9 CO 0.48 -0.38 0.05 0.21 -1.34 0.00 0.00 175.55 174.58 1nyn s LYS 10 N 1.24 2.80 0.00 4.97 2.20 -1.26 -1.11 119.74 128.58 1nyn s LYS 10 Ca -0.08 -1.04 0.00 0.00 -0.36 0.00 0.00 55.97 54.49 1nyn s LYS 10 Cb -0.07 -3.31 0.00 0.00 -1.51 0.00 0.00 37.83 32.95 1nyn s LYS 10 CO -0.12 -0.53 0.00 0.41 -0.36 0.00 0.00 175.35 174.75 1nyn n GLY 11 N 4.78 0.71 0.09 5.54 0.00 -0.31 -4.98 105.19 111.02 1nyn n GLY 11 Ca -0.14 -1.45 -0.17 0.00 0.00 0.00 0.00 46.02 44.26 1nyn n GLY 11 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1nyn h GLU 12 N 0.00 0.15 0.00 1.61 5.08 -1.97 -3.43 114.58 116.02 1nyn h GLU 12 Ca 0.00 -0.24 0.00 0.00 -1.00 0.00 0.00 59.36 58.12 1nyn h GLU 12 Cb 0.00 0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.34 1nyn h GLU 12 CO 0.00 1.11 -0.51 -1.71 -1.00 0.00 0.00 179.01 176.90 1nyn n ASN 13 N -4.38 2.53 -4.82 1.42 2.85 -1.26 -5.07 115.26 106.53 1nyn n ASN 13 Ca -0.12 0.00 -0.23 0.00 -0.11 0.00 0.00 54.58 54.12 1nyn n ASN 13 Cb 0.64 0.34 -0.05 0.00 1.24 0.00 0.00 39.78 41.95 1nyn n ASN 13 CO 0.00 0.00 0.00 -0.89 -2.11 0.00 0.00 177.26 174.26 1nyn s THR 14 N -1.34 4.50 0.19 -0.44 2.01 -1.26 -5.12 115.64 114.17 1nyn s THR 14 Ca 0.00 -1.27 0.09 0.00 0.31 0.00 0.00 61.69 60.82 1nyn s THR 14 Cb 0.00 -3.39 -0.04 0.00 0.01 0.00 0.00 72.50 69.08 1nyn s THR 14 CO 0.00 -0.27 -0.09 -0.62 -0.69 0.00 0.00 174.62 172.96 1nyn s ASP 15 N -3.59 4.29 0.07 3.53 -1.08 -1.26 -1.16 116.67 117.47 1nyn s ASP 15 Ca 0.32 -0.57 0.01 0.00 -0.52 0.00 0.00 52.55 51.79 1nyn s ASP 15 Cb -0.09 -0.74 -0.04 0.00 -1.46 0.00 0.00 42.92 40.60 1nyn s ASP 15 CO 0.25 0.10 -0.05 -0.76 0.52 0.00 0.00 175.17 175.22 1nyn s LEU 16 N -2.88 2.44 0.06 -1.34 1.43 -0.26 -4.78 118.68 113.35 1nyn s LEU 16 Ca 0.25 -0.90 0.03 0.00 -1.03 0.00 0.00 54.13 52.49 1nyn s LEU 16 Cb -0.09 0.02 -0.03 0.00 0.03 0.00 0.00 46.19 46.12 1nyn s LEU 16 CO 0.16 -0.46 -0.09 -0.63 0.23 0.00 0.00 176.35 175.56 1nyn s ILE 17 N -3.21 0.70 0.27 -0.59 1.01 -0.40 -1.23 121.20 117.75 1nyn s ILE 17 Ca 0.05 -1.25 0.00 0.00 0.00 0.00 0.00 60.65 59.45 1nyn s ILE 17 Cb 0.03 -0.86 -0.03 0.00 0.01 0.00 0.00 42.46 41.61 1nyn s ILE 17 CO -0.05 -0.41 0.27 0.68 0.00 0.00 0.00 174.94 175.42 1nyn s VAL 18 N -1.66 0.00 0.19 2.92 -7.23 -0.70 -2.25 120.40 111.66 1nyn s VAL 18 Ca -0.05 -1.88 0.09 0.00 -1.81 0.00 0.00 61.98 58.33 1nyn s VAL 18 Cb -0.08 -2.49 -0.04 0.00 0.56 0.00 0.00 36.38 34.32 1nyn s VAL 18 CO 0.00 0.00 -0.10 -0.36 -0.31 0.00 0.00 175.10 174.33 1nyn s PHE 19 N -3.72 2.60 0.13 2.82 0.08 -1.26 -1.99 117.98 116.64 1nyn s PHE 19 Ca 0.37 -0.23 0.01 0.00 0.12 0.00 0.00 56.93 57.19 1nyn s PHE 19 Cb 0.03 -1.26 -0.04 0.00 -0.57 0.00 0.00 43.02 41.18 1nyn s PHE 19 CO 0.18 0.52 -0.01 0.00 -0.10 0.00 0.00 175.22 175.81 1nyn s ALA 20 N -1.76 1.04 -0.06 5.36 0.00 -0.99 -4.49 121.76 120.87 1nyn s ALA 20 Ca 0.25 -1.45 -0.02 0.00 0.00 0.00 0.00 51.96 50.75 1nyn s ALA 20 Cb -0.08 0.45 -0.01 0.00 0.00 0.00 0.00 23.12 23.48 1nyn s ALA 20 CO 0.15 -0.33 -0.03 0.00 0.00 0.00 0.00 175.76 175.55 1nyn h ALA 21 N 2.87 0.00 -3.22 0.00 0.00 -1.19 -2.99 119.26 114.72 1nyn h ALA 21 Ca -0.36 -0.13 -0.24 0.00 0.00 0.00 0.00 54.91 54.18 1nyn h ALA 21 Cb 1.18 0.08 -0.32 0.00 0.00 0.00 0.00 17.79 18.74 1nyn h ALA 21 CO 0.63 0.08 -0.59 -1.12 0.00 0.00 0.00 179.25 178.25 1nyn s SER 22 N -4.35 -0.04 0.35 0.00 0.01 -1.26 -4.07 113.70 104.34 1nyn s SER 22 Ca -0.02 0.32 0.15 0.00 1.31 0.00 0.00 55.95 57.71 1nyn s SER 22 Cb 0.00 0.21 1.06 0.00 0.21 0.00 0.00 66.02 67.51 1nyn s SER 22 CO 0.04 -0.16 1.70 -0.08 0.41 0.00 0.00 173.24 175.15 1nyn h GLU 23 N 7.35 0.39 -0.06 12.44 4.81 -1.99 -0.80 114.58 136.71 1nyn h GLU 23 Ca -0.40 -0.02 0.02 0.00 -0.13 0.00 0.00 59.36 58.83 1nyn h GLU 23 Cb 1.14 -0.09 -0.05 0.00 0.63 0.00 0.00 28.75 30.38 1nyn h GLU 23 CO 0.39 0.26 -0.47 0.93 -0.73 0.00 0.00 179.01 179.39 1nyn h GLU 24 N 0.40 -0.52 -0.28 1.92 5.08 -2.00 -1.88 114.58 117.29 1nyn h GLU 24 Ca 0.69 0.04 0.04 0.00 -1.00 0.00 0.00 59.36 59.12 1nyn h GLU 24 Cb 1.58 0.12 -0.07 0.00 0.50 0.00 0.00 28.75 30.88 1nyn h GLU 24 CO -0.48 -0.35 -0.54 -0.07 -1.00 0.00 0.00 179.01 176.57 1nyn h LEU 25 N -0.54 -1.75 -0.91 1.33 3.38 -1.55 0.10 115.31 115.36 1nyn h LEU 25 Ca 0.02 0.22 0.24 0.00 0.09 0.00 0.00 57.88 58.46 1nyn h LEU 25 Cb 0.60 0.71 -0.17 0.00 0.09 0.00 0.00 40.66 41.89 1nyn h LEU 25 CO -0.34 -0.44 -0.01 0.52 0.09 0.00 0.00 178.44 178.26 1nyn n VAL 26 N -5.41 -0.38 -0.15 1.22 0.31 -0.89 0.17 118.33 113.21 1nyn n VAL 26 Ca -0.04 2.01 -0.05 0.00 -0.01 0.00 0.00 64.34 66.25 1nyn n VAL 26 Cb 0.36 -2.92 0.04 0.00 -0.91 0.00 0.00 33.84 30.41 1nyn n VAL 26 CO 0.00 0.00 0.00 -0.78 -1.32 0.00 0.00 176.83 174.73 1nyn h ASP 27 N 0.00 0.34 -0.28 4.52 3.58 -0.03 -2.30 116.42 122.24 1nyn h ASP 27 Ca 0.54 0.02 -0.01 0.00 0.42 0.00 0.00 57.03 58.01 1nyn h ASP 27 Cb 1.09 -0.04 -0.01 0.00 1.72 0.00 0.00 39.33 42.09 1nyn h ASP 27 CO -0.87 0.24 0.15 -0.33 -2.88 0.00 0.00 179.24 175.55 1nyn h GLU 28 N 0.46 0.40 -0.54 0.28 5.08 0.22 -2.79 114.58 117.69 1nyn h GLU 28 Ca 0.20 -0.05 0.10 0.00 -1.00 0.00 0.00 59.36 58.61 1nyn h GLU 28 Cb 0.11 -0.08 -0.11 0.00 0.50 0.00 0.00 28.75 29.17 1nyn h GLU 28 CO -0.14 0.37 -0.26 -0.92 -1.00 0.00 0.00 179.01 177.05 1nyn h TYR 29 N 0.34 -0.69 -0.14 4.33 3.20 -0.52 1.03 116.97 124.52 1nyn h TYR 29 Ca 0.10 0.06 0.04 0.00 3.14 0.00 0.00 58.73 62.07 1nyn h TYR 29 Cb 0.09 0.39 -0.01 0.00 1.54 0.00 0.00 36.73 38.74 1nyn h TYR 29 CO -0.03 -0.34 0.15 -0.07 -1.64 0.00 0.00 178.16 176.23 1nyn h LEU 30 N -0.13 0.00 -0.75 2.82 3.38 -1.22 0.12 115.31 119.52 1nyn h LEU 30 Ca 0.24 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 58.08 1nyn h LEU 30 Cb 0.51 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.25 1nyn h LEU 30 CO -0.62 0.00 -0.57 0.50 0.09 0.00 0.00 178.44 177.83 1nyn h LYS 31 N 0.00 0.15 -1.08 1.13 3.64 0.13 -3.40 116.57 117.15 1nyn h LYS 31 Ca 0.07 -0.10 -0.17 0.00 -1.27 0.00 0.00 60.65 59.18 1nyn h LYS 31 Cb 0.36 0.01 -0.17 0.00 -0.41 0.00 0.00 32.23 32.02 1nyn h LYS 31 CO -0.00 0.68 -0.52 1.21 -2.27 0.00 0.00 179.45 178.55 1nyn s ASN 32 N -6.88 -1.29 -0.89 4.20 2.47 0.24 -5.09 114.94 107.71 1nyn s ASN 32 Ca -0.03 -1.78 -0.19 0.00 0.42 0.00 0.00 52.86 51.28 1nyn s ASN 32 Cb 0.12 1.77 -0.24 0.00 -1.45 0.00 0.00 41.25 41.46 1nyn s ASN 32 CO 0.78 -0.06 2.33 -2.65 -3.72 0.00 0.00 177.10 173.78 1nyn n PRO 33 N 2.99 0.27 -4.11 0.43 -0.02 -0.21 -4.79 135.00 129.56 1nyn n PRO 33 Ca 0.18 -0.27 -0.33 0.00 -2.02 0.00 0.00 63.50 61.06 1nyn n PRO 33 Cb 0.56 -2.15 -0.16 0.00 -0.02 0.00 0.00 33.50 31.73 1nyn n PRO 33 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 1nyn s SER 34 N 5.82 3.35 0.00 2.55 0.15 -1.26 -4.96 113.70 119.35 1nyn s SER 34 Ca 1.17 -0.60 0.07 0.00 0.70 0.00 0.00 55.95 57.29 1nyn s SER 34 Cb -0.61 -1.53 0.42 0.00 -1.71 0.00 0.00 66.02 62.59 1nyn s SER 34 CO 0.38 0.00 0.87 0.00 1.20 0.00 0.00 173.24 175.69 1nyn n ILE 35 N 4.62 0.00 0.48 6.45 0.13 -1.26 -1.36 119.36 128.42 1nyn n ILE 35 Ca -0.20 0.00 0.12 0.00 -1.10 0.00 0.00 62.75 61.57 1nyn n ILE 35 Cb 0.50 -0.87 0.21 0.00 -0.84 0.00 0.00 39.64 38.64 1nyn n ILE 35 CO 0.00 0.00 0.00 1.23 2.80 0.00 0.00 176.55 180.58 1nyn h GLY 36 N 1.14 0.00 0.00 4.50 0.00 -1.97 -3.32 103.07 103.42 1nyn h GLY 36 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1nyn h GLY 36 CO 0.00 0.00 -0.30 0.58 0.00 0.00 0.00 176.54 176.82 1nyn n LYS 37 N -2.35 5.05 -0.35 4.80 2.85 -0.47 -4.70 118.16 122.99 1nyn n LYS 37 Ca 0.03 -0.00 -0.00 0.00 -1.05 0.00 0.00 58.31 57.29 1nyn n LYS 37 Cb 0.46 -0.75 0.05 0.00 -0.65 0.00 0.00 35.03 34.14 1nyn n LYS 37 CO 0.00 0.00 0.00 -0.11 -0.05 0.00 0.00 177.40 177.24 1nyn n LEU 38 N -1.15 -0.57 0.17 -5.58 7.94 -1.12 -0.42 117.00 116.26 1nyn n LEU 38 Ca 0.01 1.60 -0.15 0.00 -1.11 0.00 0.00 56.01 56.36 1nyn n LEU 38 Cb 0.08 -0.38 -0.09 0.00 0.53 0.00 0.00 43.42 43.56 1nyn n LEU 38 CO 0.09 -1.45 0.52 0.77 -1.11 0.00 0.00 177.39 176.21 1nyn h SER 39 N 0.00 -1.32 -0.47 1.96 4.64 -1.84 0.28 113.55 116.81 1nyn h SER 39 Ca 0.33 0.12 0.13 0.00 -0.47 0.00 0.00 61.79 61.91 1nyn h SER 39 Cb 0.56 0.46 -0.02 0.00 -0.31 0.00 0.00 62.40 63.10 1nyn h SER 39 CO -0.92 -0.53 0.99 -0.62 -0.87 0.00 0.00 176.83 174.88 1nyn n GLU 40 N -5.09 0.02 -0.11 4.77 -0.58 0.45 -0.09 120.64 120.01 1nyn n GLU 40 Ca -0.09 0.88 -0.18 0.00 -0.42 0.00 0.00 57.16 57.35 1nyn n GLU 40 Cb 0.38 -2.27 -0.07 0.00 -0.57 0.00 0.00 31.44 28.91 1nyn n GLU 40 CO 0.00 0.00 0.00 0.28 -0.48 0.00 0.00 177.13 176.93 1nyn n VAL 41 N -2.65 1.50 -2.46 2.62 0.31 0.72 -4.73 118.33 113.64 1nyn n VAL 41 Ca 0.10 -0.05 -0.35 0.00 -0.01 0.00 0.00 64.34 64.03 1nyn n VAL 41 Cb 1.13 -2.14 -0.03 0.00 -0.91 0.00 0.00 33.84 31.89 1nyn n VAL 41 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 1nyn s VAL 42 N -2.56 3.60 0.00 2.52 1.01 0.87 -0.68 120.40 125.15 1nyn s VAL 42 Ca -0.30 1.03 0.00 0.00 0.00 0.00 0.00 61.98 62.71 1nyn s VAL 42 Cb 0.08 -3.44 0.00 0.00 0.00 0.00 0.00 36.38 33.02 1nyn s VAL 42 CO 0.44 -0.18 0.00 1.21 0.00 0.00 0.00 175.10 176.57 1nyn n GLU 43 N -0.92 2.80 -3.33 2.72 2.13 -1.26 -4.72 120.64 118.06 1nyn n GLU 43 Ca 0.09 0.00 -0.12 0.00 0.66 0.00 0.00 57.16 57.80 1nyn n GLU 43 Cb 0.52 -0.71 -0.07 0.00 0.27 0.00 0.00 31.44 31.45 1nyn n GLU 43 CO 0.00 0.00 0.00 -1.17 -0.41 0.00 0.00 177.13 175.55 1nyn s LEU 44 N -2.04 -0.58 -0.83 4.31 2.96 -1.26 -5.07 118.68 116.16 1nyn s LEU 44 Ca 0.00 -0.66 -0.26 0.00 -0.22 0.00 0.00 54.13 53.00 1nyn s LEU 44 Cb 0.00 0.92 -0.11 0.00 0.50 0.00 0.00 46.19 47.50 1nyn s LEU 44 CO 0.00 -0.34 2.26 -0.36 -1.32 0.00 0.00 176.35 176.58 1nyn s PHE 45 N 2.32 1.35 -0.30 5.38 0.08 -1.26 -4.78 117.98 120.78 1nyn s PHE 45 Ca 0.11 1.56 -0.14 0.00 0.12 0.00 0.00 56.93 58.58 1nyn s PHE 45 Cb -0.13 -3.63 0.16 0.00 -0.57 0.00 0.00 43.02 38.86 1nyn s PHE 45 CO -0.26 -1.60 0.95 -2.00 -0.10 0.00 0.00 175.22 172.20 1nyn s GLU 46 N 8.28 0.32 0.33 0.44 2.56 -1.26 -5.15 118.70 124.22 1nyn s GLU 46 Ca 0.85 0.77 -0.26 0.00 0.00 0.00 0.00 54.97 56.33 1nyn s GLU 46 Cb -0.11 0.46 -0.10 0.00 2.00 0.00 0.00 34.13 36.38 1nyn s GLU 46 CO 0.05 -0.14 0.95 0.08 -0.56 0.00 0.00 175.26 175.65 1nyn s VAL 47 N 2.55 4.19 0.20 3.70 1.01 -1.26 -4.79 120.40 126.00 1nyn s VAL 47 Ca -0.02 1.77 0.04 0.00 0.00 0.00 0.00 61.98 63.78 1nyn s VAL 47 Cb -0.07 -3.96 -0.05 0.00 0.00 0.00 0.00 36.38 32.30 1nyn s VAL 47 CO -0.17 0.10 -0.05 -0.36 0.00 0.00 0.00 175.10 174.63 1nyn s PHE 48 N -1.65 1.48 0.12 5.22 0.08 -0.95 -4.38 117.98 117.89 1nyn s PHE 48 Ca 0.51 -0.84 -0.03 0.00 0.12 0.00 0.00 56.93 56.69 1nyn s PHE 48 Cb -0.18 -0.82 -0.03 0.00 -0.57 0.00 0.00 43.02 41.42 1nyn s PHE 48 CO 0.23 0.03 0.10 0.95 -0.10 0.00 0.00 175.22 176.43 1nyn s THR 49 N -3.35 0.12 -0.02 0.64 -4.23 -0.80 -1.27 115.64 106.73 1nyn s THR 49 Ca 0.24 -1.72 -0.30 0.00 -1.18 0.00 0.00 61.69 58.73 1nyn s THR 49 Cb 0.04 -1.84 -0.04 0.00 1.34 0.00 0.00 72.50 72.00 1nyn s THR 49 CO 0.06 -0.55 1.25 -2.16 -0.54 0.00 0.00 174.62 172.67 1nyn s PRO 50 N -3.99 4.35 0.42 3.99 0.04 -1.26 -2.75 135.00 135.79 1nyn s PRO 50 Ca 0.18 1.76 0.04 0.00 0.04 0.00 0.00 61.00 63.02 1nyn s PRO 50 Cb 0.06 -3.52 0.04 0.00 0.04 0.00 0.00 34.50 31.13 1nyn s PRO 50 CO -0.02 -0.44 0.33 0.94 0.04 0.00 0.00 177.00 177.85 1nyn n GLN 51 N 4.98 0.86 -0.49 4.56 7.27 -1.26 -4.79 117.38 128.52 1nyn n GLN 51 Ca 0.11 -2.59 -0.18 0.00 0.07 0.00 0.00 57.00 54.42 1nyn n GLN 51 Cb 0.46 0.25 0.16 0.00 2.41 0.00 0.00 30.24 33.51 1nyn n GLN 51 CO 0.00 0.00 0.00 -0.25 0.07 0.00 0.00 177.06 176.88 1nyn n ASP 52 N -1.92 -3.14 0.00 1.69 8.00 -1.26 -4.76 116.55 115.16 1nyn n ASP 52 Ca -0.01 -0.45 0.00 0.00 0.71 0.00 0.00 54.79 55.05 1nyn n ASP 52 Cb 0.47 -0.78 0.00 0.00 -0.02 0.00 0.00 41.12 40.79 1nyn n ASP 52 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1nyn n GLY 53 N 2.40 0.11 0.39 0.44 0.00 -1.26 -4.72 105.19 102.55 1nyn n GLY 53 Ca 0.07 -1.54 0.00 0.00 0.00 0.00 0.00 46.02 44.55 1nyn n GLY 53 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1nyn n ARG 54 N 0.00 0.07 0.00 1.61 1.74 -1.26 -5.03 116.66 113.78 1nyn n ARG 54 Ca 0.00 -0.97 0.00 0.00 -0.77 0.00 0.00 57.85 56.11 1nyn n ARG 54 Cb 0.00 -0.54 0.00 0.00 -1.02 0.00 0.00 32.46 30.90 1nyn n ARG 54 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1nyn n GLY 55 N -0.05 -1.23 2.71 -0.13 0.00 -1.26 -4.98 105.19 100.24 1nyn n GLY 55 Ca 0.01 0.41 -0.08 0.00 0.00 0.00 0.00 46.02 46.35 1nyn n GLY 55 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1nyn n ALA 56 N 0.00 0.38 -2.47 4.61 0.00 -1.26 -4.68 120.51 117.09 1nyn n ALA 56 Ca 0.00 -1.37 -0.26 0.00 0.00 0.00 0.00 53.44 51.82 1nyn n ALA 56 Cb 0.00 -1.07 -0.11 0.00 0.00 0.00 0.00 19.45 18.28 1nyn n ALA 56 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1nyn s GLU 57 N 0.22 1.70 0.00 0.00 2.02 -1.26 -5.00 118.70 116.38 1nyn s GLU 57 Ca 0.22 -1.53 0.00 0.00 0.02 0.00 0.00 54.97 53.68 1nyn s GLU 57 Cb 0.35 -1.90 0.00 0.00 0.10 0.00 0.00 34.13 32.68 1nyn s GLU 57 CO -0.07 0.39 0.00 0.41 0.02 0.00 0.00 175.26 176.00 1nyn n GLY 58 N -0.06 -1.49 3.54 -1.39 0.00 -1.26 -4.78 105.19 99.76 1nyn n GLY 58 Ca -0.10 -1.57 -0.61 0.00 0.00 0.00 0.00 46.02 43.75 1nyn n GLY 58 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1nyn n GLU 59 N -1.44 0.44 -1.34 1.61 2.13 -1.26 -4.85 120.64 115.92 1nyn n GLU 59 Ca 0.00 0.15 -0.33 0.00 0.66 0.00 0.00 57.16 57.63 1nyn n GLU 59 Cb 0.00 -1.79 0.10 0.00 0.27 0.00 0.00 31.44 30.02 1nyn n GLU 59 CO 0.00 0.00 0.00 -0.51 -0.41 0.00 0.00 177.13 176.21 1nyn s LEU 60 N 4.68 3.22 0.11 4.31 1.43 -1.26 -4.90 118.68 126.27 1nyn s LEU 60 Ca 1.09 2.21 -0.26 0.00 -1.03 0.00 0.00 54.13 56.14 1nyn s LEU 60 Cb -1.30 -4.57 -0.07 0.00 0.03 0.00 0.00 46.19 40.28 1nyn s LEU 60 CO 0.68 -2.29 0.80 -0.83 0.23 0.00 0.00 176.35 174.95 1nyn s GLY 61 N -2.37 2.88 0.37 -3.19 0.00 -1.11 -4.92 107.32 98.97 1nyn s GLY 61 Ca 0.70 0.36 -0.13 0.00 0.00 0.00 0.00 44.72 45.66 1nyn s GLY 61 CO 0.48 1.03 0.76 0.00 0.00 0.00 0.00 173.10 175.37 1nyn s ALA 62 N -0.58 3.33 0.16 3.20 0.00 -1.26 -1.91 121.76 124.71 1nyn s ALA 62 Ca 0.38 -0.08 0.00 0.00 0.00 0.00 0.00 51.96 52.27 1nyn s ALA 62 Cb -0.22 -2.74 0.00 0.00 0.00 0.00 0.00 23.12 20.15 1nyn s ALA 62 CO 0.25 0.15 0.00 0.00 0.00 0.00 0.00 175.76 176.17 1nyn n ALA 63 N -0.85 0.00 -2.40 0.00 0.00 -1.26 -4.89 120.51 111.11 1nyn n ALA 63 Ca 0.03 0.00 -0.20 0.00 0.00 0.00 0.00 53.44 53.27 1nyn n ALA 63 Cb 0.54 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.88 1nyn n ALA 63 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1nyn s SER 64 N -1.00 2.33 0.60 0.00 0.15 -1.26 -5.01 113.70 109.50 1nyn s SER 64 Ca 0.00 -1.25 0.38 0.00 0.70 0.00 0.00 55.95 55.78 1nyn s SER 64 Cb 0.00 -0.08 1.83 0.00 -1.71 0.00 0.00 66.02 66.06 1nyn s SER 64 CO 0.00 -0.47 2.16 0.11 1.20 0.00 0.00 173.24 176.24 1nyn h LYS 65 N 2.30 0.00 0.11 5.44 1.57 -2.00 -2.36 116.57 121.63 1nyn h LYS 65 Ca -0.40 0.00 -0.23 0.00 -1.87 0.00 0.00 60.65 58.16 1nyn h LYS 65 Cb 1.23 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.54 1nyn h LYS 65 CO 0.67 0.02 -1.13 0.00 -0.57 0.00 0.00 179.45 178.43 1nyn h ALA 66 N 1.98 0.09 -0.87 3.86 0.00 -1.98 -2.71 119.26 119.64 1nyn h ALA 66 Ca -0.00 -0.94 0.02 0.00 0.00 0.00 0.00 54.91 53.99 1nyn h ALA 66 Cb 0.27 0.36 -0.05 0.00 0.00 0.00 0.00 17.79 18.37 1nyn h ALA 66 CO 0.00 0.63 0.57 0.37 0.00 0.00 0.00 179.25 180.82 1nyn h GLN 67 N -0.42 1.10 0.37 0.00 4.15 -1.89 0.56 115.11 118.98 1nyn h GLN 67 Ca -0.24 -0.07 -0.02 0.00 0.77 0.00 0.00 58.65 59.10 1nyn h GLN 67 Cb 1.64 -0.25 0.00 0.00 0.21 0.00 0.00 27.48 29.09 1nyn h GLN 67 CO 0.06 0.73 -0.18 0.28 -1.93 0.00 0.00 178.83 177.80 1nyn h VAL 68 N 1.14 0.46 -0.62 2.39 2.07 -1.56 -3.13 116.25 117.00 1nyn h VAL 68 Ca 0.33 -0.67 0.06 0.00 0.82 0.00 0.00 66.70 67.24 1nyn h VAL 68 Cb -0.07 0.70 -0.04 0.00 -1.52 0.00 0.00 31.29 30.37 1nyn h VAL 68 CO -0.09 0.09 0.41 -0.33 0.02 0.00 0.00 177.57 177.67 1nyn h GLU 69 N -0.95 0.59 -0.36 1.57 4.39 -1.35 0.31 114.58 118.77 1nyn h GLU 69 Ca -0.05 -0.04 0.11 0.00 0.34 0.00 0.00 59.36 59.72 1nyn h GLU 69 Cb 0.53 -0.13 -0.01 0.00 -0.10 0.00 0.00 28.75 29.03 1nyn h GLU 69 CO 0.08 0.39 0.31 -0.91 -1.16 0.00 0.00 179.01 177.72 1nyn h ASN 70 N 0.61 0.00 0.00 1.42 -0.26 0.19 0.26 115.58 117.80 1nyn h ASN 70 Ca 0.27 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 56.01 1nyn h ASN 70 Cb 0.27 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.53 1nyn h ASN 70 CO -0.08 0.00 -0.09 -0.33 -1.06 0.00 0.00 177.43 175.87 1nyn h GLU 71 N 0.00 0.00 0.09 0.81 5.08 -0.90 -3.43 114.58 116.23 1nyn h GLU 71 Ca 0.17 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.53 1nyn h GLU 71 Cb 0.79 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.04 1nyn h GLU 71 CO -0.00 0.00 -0.05 0.74 -1.00 0.00 0.00 179.01 178.70 1nyn h PHE 72 N -0.32 -0.12 0.00 4.33 -1.00 -1.41 -3.49 116.94 114.93 1nyn h PHE 72 Ca 0.00 -0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.78 1nyn h PHE 72 Cb 0.09 0.04 0.00 0.00 3.61 0.00 0.00 35.95 39.68 1nyn h PHE 72 CO -0.04 -0.07 0.00 0.41 -1.61 0.00 0.00 178.31 177.00 1nyn n GLY 73 N 0.62 1.32 3.96 -1.45 0.00 0.91 -5.05 105.19 105.51 1nyn n GLY 73 Ca -0.02 -1.55 -0.24 0.00 0.00 0.00 0.00 46.02 44.22 1nyn n GLY 73 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1nyn s LYS 74 N -1.72 2.06 0.00 1.61 1.02 -1.26 -4.37 119.74 117.07 1nyn s LYS 74 Ca 0.00 -0.72 0.00 0.00 0.02 0.00 0.00 55.97 55.27 1nyn s LYS 74 Cb 0.00 -2.31 0.00 0.00 -0.52 0.00 0.00 37.83 35.00 1nyn s LYS 74 CO 0.00 -1.19 0.00 0.41 -0.92 0.00 0.00 175.35 173.65 1nyn n GLY 75 N -2.74 0.66 3.38 -3.33 0.00 -1.26 -5.04 105.19 96.87 1nyn n GLY 75 Ca 0.11 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.93 1nyn n GLY 75 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1nyn s LYS 76 N -0.32 1.56 0.00 1.61 1.02 -1.26 -5.16 119.74 117.18 1nyn s LYS 76 Ca 0.00 -1.87 0.00 0.00 0.02 0.00 0.00 55.97 54.12 1nyn s LYS 76 Cb 0.00 -0.51 0.00 0.00 -0.52 0.00 0.00 37.83 36.80 1nyn s LYS 76 CO 0.00 -0.28 0.00 1.63 -0.92 0.00 0.00 175.35 175.78 1nyn n LYS 77 N -0.59 3.33 0.08 1.68 5.02 -1.26 -4.99 118.16 121.43 1nyn n LYS 77 Ca -0.01 0.00 -0.16 0.00 -2.02 0.00 0.00 58.31 56.12 1nyn n LYS 77 Cb 0.66 0.00 -0.14 0.00 -0.02 0.00 0.00 35.03 35.53 1nyn n LYS 77 CO 0.00 0.00 0.00 0.97 -0.52 0.00 0.00 177.40 177.85 1nyn h ILE 78 N 0.30 1.30 -0.12 -0.18 6.09 -2.02 -2.27 117.51 120.62 1nyn h ILE 78 Ca 0.00 -2.91 -0.05 0.00 -1.37 0.00 0.00 64.86 60.53 1nyn h ILE 78 Cb 0.00 2.83 -0.01 0.00 0.47 0.00 0.00 36.82 40.11 1nyn h ILE 78 CO 0.00 0.84 -0.16 -0.33 -3.07 0.00 0.00 178.15 175.44 1nyn h GLU 79 N 0.07 0.18 0.10 2.19 5.08 -1.99 -0.96 114.58 119.25 1nyn h GLU 79 Ca -0.20 -0.04 -0.22 0.00 -1.00 0.00 0.00 59.36 57.90 1nyn h GLU 79 Cb 1.99 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 31.22 1nyn h GLU 79 CO 0.18 0.35 -1.09 0.93 -1.00 0.00 0.00 179.01 178.38 1nyn h GLU 80 N 0.18 0.21 -0.56 2.33 3.07 -1.96 -3.05 114.58 114.78 1nyn h GLU 80 Ca 0.03 -0.35 0.04 0.00 -0.50 0.00 0.00 59.36 58.58 1nyn h GLU 80 Cb 0.39 0.13 -0.03 0.00 -0.84 0.00 0.00 28.75 28.40 1nyn h GLU 80 CO 0.02 1.17 0.37 0.28 -1.40 0.00 0.00 179.01 179.46 1nyn h VAL 81 N -0.47 1.05 -0.13 3.13 2.07 -1.29 -2.21 116.25 118.39 1nyn h VAL 81 Ca -0.23 -0.21 -0.06 0.00 0.82 0.00 0.00 66.70 67.02 1nyn h VAL 81 Cb 1.60 0.37 -0.00 0.00 -1.52 0.00 0.00 31.29 31.74 1nyn h VAL 81 CO 0.05 0.11 -0.14 0.40 0.02 0.00 0.00 177.57 178.01 1nyn h ILE 82 N 0.62 1.36 -0.81 4.57 2.04 -1.28 -2.92 117.51 121.08 1nyn h ILE 82 Ca 0.23 -1.32 0.19 0.00 1.00 0.00 0.00 64.86 64.96 1nyn h ILE 82 Cb 0.15 1.93 -0.13 0.00 -0.74 0.00 0.00 36.82 38.04 1nyn h ILE 82 CO -0.06 0.38 0.19 -0.78 0.00 0.00 0.00 178.15 177.88 1nyn h ASP 83 N -0.07 -0.03 0.63 1.72 3.58 -1.29 -0.27 116.42 120.69 1nyn h ASP 83 Ca 0.02 0.18 -0.03 0.00 0.42 0.00 0.00 57.03 57.61 1nyn h ASP 83 Cb 0.68 0.24 0.01 0.00 1.72 0.00 0.00 39.33 41.98 1nyn h ASP 83 CO 0.03 -0.10 -0.30 -0.07 -2.88 0.00 0.00 179.24 175.92 1nyn h LEU 84 N 0.23 -0.71 -0.61 2.28 3.38 -1.45 -1.28 115.31 117.15 1nyn h LEU 84 Ca 0.48 0.00 0.12 0.00 0.09 0.00 0.00 57.88 58.57 1nyn h LEU 84 Cb 0.89 0.18 -0.12 0.00 0.09 0.00 0.00 40.66 41.71 1nyn h LEU 84 CO -0.60 -0.47 -0.20 0.40 0.09 0.00 0.00 178.44 177.67 1nyn h ILE 85 N -0.91 0.32 -0.22 1.22 2.04 -1.00 0.78 117.51 119.75 1nyn h ILE 85 Ca -0.09 0.00 0.03 0.00 1.00 0.00 0.00 64.86 65.81 1nyn h ILE 85 Cb 0.67 0.32 -0.01 0.00 -0.74 0.00 0.00 36.82 37.06 1nyn h ILE 85 CO 0.14 0.00 0.15 -0.07 0.00 0.00 0.00 178.15 178.37 1nyn h LEU 86 N -0.04 0.12 0.00 1.44 3.38 -0.92 0.28 115.31 119.57 1nyn h LEU 86 Ca 0.29 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.25 1nyn h LEU 86 Cb 0.49 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.21 1nyn h LEU 86 CO -0.65 0.09 0.10 -1.14 0.09 0.00 0.00 178.44 176.93 1nyn n ARG 87 N -4.50 0.00 0.00 1.13 0.63 0.27 -4.27 116.66 109.92 1nyn n ARG 87 Ca 0.01 0.37 0.00 0.00 -0.92 0.00 0.00 57.85 57.31 1nyn n ARG 87 Cb 0.19 -1.60 0.00 0.00 0.45 0.00 0.00 32.46 31.50 1nyn n ARG 87 CO 0.00 0.00 0.00 0.09 -2.51 0.00 0.00 177.63 175.21 1nyn n ASN 88 N -1.36 0.00 -1.53 6.15 4.13 0.05 -5.10 115.26 117.60 1nyn n ASN 88 Ca 0.00 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.26 1nyn n ASN 88 Cb 0.10 0.00 0.00 0.00 -1.54 0.00 0.00 39.78 38.34 1nyn n ASN 88 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1nyn n GLY 89 N 1.45 -4.78 3.89 7.41 0.00 -1.00 -4.56 105.19 107.59 1nyn n GLY 89 Ca 0.00 -0.48 -0.33 0.00 0.00 0.00 0.00 46.02 45.21 1nyn n GLY 89 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1nyn n LYS 90 N 0.75 -0.60 -1.70 1.61 5.02 -1.23 -4.86 118.16 117.14 1nyn n LYS 90 Ca 0.00 0.11 -0.32 0.00 -2.02 0.00 0.00 58.31 56.08 1nyn n LYS 90 Cb 0.00 -1.72 0.04 0.00 -0.02 0.00 0.00 35.03 33.33 1nyn n LYS 90 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 1nyn s PRO 91 N -6.27 2.96 -0.33 1.97 0.04 -1.26 -4.46 135.00 127.66 1nyn s PRO 91 Ca 0.29 1.10 -0.16 0.00 0.04 0.00 0.00 61.00 62.27 1nyn s PRO 91 Cb -0.16 -1.99 0.02 0.00 0.04 0.00 0.00 34.50 32.41 1nyn s PRO 91 CO 0.75 -1.09 0.37 -1.71 0.04 0.00 0.00 177.00 175.36 1nyn n ASN 92 N -2.75 -7.06 -2.72 6.66 4.05 -1.26 -4.97 115.26 107.20 1nyn n ASN 92 Ca 0.08 0.53 -0.09 0.00 0.45 0.00 0.00 54.58 55.56 1nyn n ASN 92 Cb 0.53 -3.67 0.07 0.00 1.23 0.00 0.00 39.78 37.94 1nyn n ASN 92 CO 0.00 0.00 0.00 -1.54 -3.05 0.00 0.00 177.26 172.67 1nyn n SER 93 N 0.26 -0.27 0.00 1.20 3.41 -1.26 -5.00 113.62 111.96 1nyn n SER 93 Ca 0.01 -2.70 0.00 0.00 -0.26 0.00 0.00 58.87 55.93 1nyn n SER 93 Cb 0.42 0.28 0.00 0.00 -0.26 0.00 0.00 64.21 64.66 1nyn n SER 93 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29 1nyn n THR 94 N -0.23 0.00 -2.56 6.66 -1.04 -1.26 -4.78 114.28 111.07 1nyn n THR 94 Ca 0.05 0.15 -0.43 0.00 -2.04 0.00 0.00 64.05 61.78 1nyn n THR 94 Cb 0.81 -1.07 0.00 0.00 -1.82 0.00 0.00 70.33 68.25 1nyn n THR 94 CO 0.00 0.00 0.00 0.35 -0.64 0.00 0.00 175.07 174.78 1nyn n THR 95 N -1.84 4.43 -2.43 12.58 -2.24 -1.26 -4.96 114.28 118.56 1nyn n THR 95 Ca 0.00 -4.65 -0.43 0.00 -2.27 0.00 0.00 64.05 56.71 1nyn n THR 95 Cb 0.00 -2.36 -0.02 0.00 -2.10 0.00 0.00 70.33 65.85 1nyn n THR 95 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1nyn s SER 96 N 1.01 6.37 0.00 3.42 1.04 -1.26 -4.63 113.70 119.65 1nyn s SER 96 Ca 0.39 0.57 0.00 0.00 0.48 0.00 0.00 55.95 57.40 1nyn s SER 96 Cb 0.06 -2.54 0.00 0.00 0.10 0.00 0.00 66.02 63.64 1nyn s SER 96 CO 0.01 -1.46 0.00 -1.54 0.98 0.00 0.00 173.24 171.24 1nyn n SER 97 N 8.74 0.00 0.00 7.02 3.41 -1.26 -5.02 113.62 126.51 1nyn n SER 97 Ca 0.14 -0.78 0.00 0.00 -0.26 0.00 0.00 58.87 57.97 1nyn n SER 97 Cb 0.49 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.44 1nyn n SER 97 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1nyn n LEU 98 N 0.00 0.00 0.00 1.04 7.99 -1.26 -4.86 117.00 119.91 1nyn n LEU 98 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 56.01 56.00 1nyn n LEU 98 Cb 0.20 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.51 1nyn n LEU 98 CO 0.00 0.00 0.00 0.29 -1.51 0.00 0.00 177.39 176.17 1nyn n LYS 99 N 0.00 0.00 -3.18 3.23 5.02 -1.26 -4.13 118.16 117.85 1nyn n LYS 99 Ca 0.00 0.00 -0.20 0.00 -2.02 0.00 0.00 58.31 56.09 1nyn n LYS 99 Cb 0.00 0.00 -0.04 0.00 -0.02 0.00 0.00 35.03 34.97 1nyn n LYS 99 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 1nyn n THR 100 N 0.00 0.03 0.19 -0.18 -2.24 -1.26 -4.95 114.28 105.87 1nyn n THR 100 Ca 0.00 -4.55 -0.15 0.00 -2.27 0.00 0.00 64.05 57.09 1nyn n THR 100 Cb 0.00 -0.82 -0.08 0.00 -2.10 0.00 0.00 70.33 67.33 1nyn n THR 100 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 1nyn h LYS 101 N 3.28 -0.43 0.00 -0.78 1.57 -1.89 -3.47 116.57 114.84 1nyn h LYS 101 Ca 0.10 0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.91 1nyn h LYS 101 Cb 0.90 0.10 0.00 0.00 0.08 0.00 0.00 32.23 33.31 1nyn h LYS 101 CO 0.53 -0.21 0.00 0.41 -0.57 0.00 0.00 179.45 179.61 1nyn n GLY 102 N -0.93 1.07 2.53 3.86 0.00 -1.26 -5.07 105.19 105.38 1nyn n GLY 102 Ca -0.10 0.18 -0.14 0.00 0.00 0.00 0.00 46.02 45.96 1nyn n GLY 102 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1nyn n GLY 103 N 0.00 3.67 0.98 -0.02 0.00 -1.26 -4.87 105.19 103.69 1nyn n GLY 103 Ca 0.00 -1.86 0.00 0.00 0.00 0.00 0.00 46.02 44.16 1nyn n GLY 103 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1nyn n ASN 104 N -0.45 1.89 -0.27 1.61 4.05 -1.26 -2.96 115.26 117.87 1nyn n ASN 104 Ca 0.23 -1.30 0.06 0.00 0.45 0.00 0.00 54.58 54.03 1nyn n ASN 104 Cb 0.81 -0.32 0.12 0.00 1.23 0.00 0.00 39.78 41.62 1nyn n ASN 104 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 1nyn n ALA 105 N 0.65 2.31 -1.60 5.20 0.00 -1.26 -5.07 120.51 120.74 1nyn n ALA 105 Ca 0.00 -1.91 0.00 0.00 0.00 0.00 0.00 53.44 51.53 1nyn n ALA 105 Cb 0.32 -0.34 0.00 0.00 0.00 0.00 0.00 19.45 19.43 1nyn n ALA 105 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1nyn n GLY 106 N -0.76 -4.88 3.68 0.00 0.00 -1.15 -4.79 105.19 97.29 1nyn n GLY 106 Ca 0.12 -0.39 -0.42 0.00 0.00 0.00 0.00 46.02 45.32 1nyn n GLY 106 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1nyn s THR 107 N -0.46 3.22 0.00 2.61 -4.23 -1.26 -4.93 115.64 110.58 1nyn s THR 107 Ca 0.00 0.53 0.00 0.00 -1.18 0.00 0.00 61.69 61.04 1nyn s THR 107 Cb 0.00 -3.34 0.00 0.00 1.34 0.00 0.00 72.50 70.50 1nyn s THR 107 CO 0.00 -0.02 0.72 0.29 -0.54 0.00 0.00 174.62 175.07 1nyn n LYS 108 N 6.18 0.00 0.00 3.99 5.02 -1.26 -4.87 118.16 127.22 1nyn n LYS 108 Ca 0.16 0.27 0.00 0.00 -2.02 0.00 0.00 58.31 56.72 1nyn n LYS 108 Cb 0.41 -1.23 0.00 0.00 -0.02 0.00 0.00 35.03 34.19 1nyn n LYS 108 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1nyn n ALA 109 N -1.30 0.00 -0.12 7.82 0.00 -1.26 -5.06 120.51 120.59 1nyn n ALA 109 Ca 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 53.44 53.22 1nyn n ALA 109 Cb 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.37 1nyn n ALA 109 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1nyn n TYR 110 N 0.00 0.27 0.33 0.00 4.01 -1.26 -5.22 117.16 115.29 1nyn n TYR 110 Ca 0.00 0.12 0.04 0.00 -0.16 0.00 0.00 57.90 57.90 1nyn n TYR 110 Cb 0.00 -0.91 0.03 0.00 -0.31 0.00 0.00 39.34 38.16 1nyn n TYR 110 CO 0.00 0.00 0.00 0.09 -0.46 0.00 0.00 176.86 176.49