#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nyn s SER 2 N 0.00 2.76 -1.05 7.83 0.01 -1.26 -5.03 113.70 116.95 1nyn s SER 2 Ca 0.00 -0.52 -0.02 0.00 1.31 0.00 0.00 55.95 56.72 1nyn s SER 2 Cb 0.00 -1.20 0.31 0.00 0.21 0.00 0.00 66.02 65.34 1nyn s SER 2 CO 0.00 -0.06 1.81 0.35 0.41 0.00 0.00 173.24 175.75 1nyn n THR 3 N 4.76 5.97 -2.68 1.44 -2.24 -1.26 -4.99 114.28 115.28 1nyn n THR 3 Ca -0.17 -5.90 -0.23 0.00 -2.27 0.00 0.00 64.05 55.48 1nyn n THR 3 Cb 0.50 -1.65 0.11 0.00 -2.10 0.00 0.00 70.33 67.19 1nyn n THR 3 CO 0.00 0.00 0.00 0.68 -0.57 0.00 0.00 175.07 175.18 1nyn s VAL 4 N -3.96 2.03 0.06 2.28 -7.23 -1.26 -4.98 120.40 107.34 1nyn s VAL 4 Ca 0.39 -0.67 0.06 0.00 -1.81 0.00 0.00 61.98 59.94 1nyn s VAL 4 Cb 0.17 -2.35 -0.03 0.00 0.56 0.00 0.00 36.38 34.73 1nyn s VAL 4 CO -0.10 0.00 -0.17 -0.89 -0.31 0.00 0.00 175.10 173.63 1nyn s THR 5 N -3.11 1.37 0.24 5.32 2.01 -1.22 -5.05 115.64 115.19 1nyn s THR 5 Ca 0.67 -1.22 0.07 0.00 0.31 0.00 0.00 61.69 61.52 1nyn s THR 5 Cb -0.04 -1.24 -0.04 0.00 0.01 0.00 0.00 72.50 71.19 1nyn s THR 5 CO 0.44 -0.00 0.20 -0.54 -0.69 0.00 0.00 174.62 174.03 1nyn s LYS 6 N -1.42 2.97 -0.21 4.92 1.02 -1.26 -2.28 119.74 123.48 1nyn s LYS 6 Ca 0.03 -1.00 0.00 0.00 0.02 0.00 0.00 55.97 55.03 1nyn s LYS 6 Cb -0.09 -2.61 0.05 0.00 -0.52 0.00 0.00 37.83 34.67 1nyn s LYS 6 CO 0.02 0.42 -0.07 0.71 -0.92 0.00 0.00 175.35 175.51 1nyn s TYR 7 N -2.06 2.26 0.75 3.18 1.51 -0.92 -4.96 117.35 117.10 1nyn s TYR 7 Ca 0.33 -1.58 -0.11 0.00 -1.01 0.00 0.00 57.07 54.70 1nyn s TYR 7 Cb -0.08 -1.54 0.04 0.00 -0.11 0.00 0.00 41.96 40.27 1nyn s TYR 7 CO 0.25 -0.74 1.08 -0.06 -1.11 0.00 0.00 175.55 174.97 1nyn s PHE 8 N 1.45 3.00 -0.29 2.71 0.08 -1.26 -2.27 117.98 121.39 1nyn s PHE 8 Ca -0.03 1.25 0.02 0.00 0.12 0.00 0.00 56.93 58.29 1nyn s PHE 8 Cb -0.17 -3.01 0.17 0.00 -0.57 0.00 0.00 43.02 39.43 1nyn s PHE 8 CO -0.07 -1.49 0.44 -0.47 -0.10 0.00 0.00 175.22 173.52 1nyn s TYR 9 N -3.13 -1.13 -0.44 0.36 5.04 0.10 -2.03 117.35 116.13 1nyn s TYR 9 Ca 0.59 0.46 -0.27 0.00 -2.44 0.00 0.00 57.07 55.41 1nyn s TYR 9 Cb -0.14 -0.08 -0.03 0.00 0.35 0.00 0.00 41.96 42.06 1nyn s TYR 9 CO 0.54 -0.99 1.95 0.21 -1.34 0.00 0.00 175.55 175.92 1nyn s LYS 10 N 2.59 2.88 0.00 4.97 2.20 -1.26 -1.30 119.74 129.81 1nyn s LYS 10 Ca 0.10 1.19 0.00 0.00 -0.36 0.00 0.00 55.97 56.90 1nyn s LYS 10 Cb -0.12 -4.34 0.00 0.00 -1.51 0.00 0.00 37.83 31.86 1nyn s LYS 10 CO -0.29 -2.41 0.00 0.41 -0.36 0.00 0.00 175.35 172.70 1nyn n GLY 11 N 5.64 0.02 0.00 5.54 0.00 -0.82 -4.97 105.19 110.60 1nyn n GLY 11 Ca 0.25 -1.75 0.00 0.00 0.00 0.00 0.00 46.02 44.51 1nyn n GLY 11 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1nyn n GLU 12 N -0.05 0.00 -0.08 1.61 1.02 -1.26 -4.56 120.64 117.31 1nyn n GLU 12 Ca 0.00 0.32 -0.17 0.00 -0.02 0.00 0.00 57.16 57.29 1nyn n GLU 12 Cb 0.00 -0.99 -0.06 0.00 -0.02 0.00 0.00 31.44 30.38 1nyn n GLU 12 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 1nyn n ASN 13 N -0.81 1.36 -4.53 1.62 5.03 -1.26 -5.02 115.26 111.66 1nyn n ASN 13 Ca 0.00 0.23 -0.29 0.00 0.87 0.00 0.00 54.58 55.39 1nyn n ASN 13 Cb 0.00 -0.55 0.14 0.00 -1.02 0.00 0.00 39.78 38.35 1nyn n ASN 13 CO 0.00 0.00 0.00 0.28 -1.83 0.00 0.00 177.26 175.71 1nyn s THR 14 N -2.39 2.02 0.22 3.41 -1.32 -1.26 -5.09 115.64 111.24 1nyn s THR 14 Ca -0.24 -0.03 0.11 0.00 -1.21 0.00 0.00 61.69 60.32 1nyn s THR 14 Cb 0.08 -2.99 -0.05 0.00 -1.51 0.00 0.00 72.50 68.04 1nyn s THR 14 CO 0.31 0.00 -0.21 -0.62 -2.21 0.00 0.00 174.62 171.89 1nyn s ASP 15 N -4.73 3.57 0.21 8.08 -1.08 -1.26 -1.94 116.67 119.51 1nyn s ASP 15 Ca 0.68 -0.90 0.10 0.00 -0.52 0.00 0.00 52.55 51.91 1nyn s ASP 15 Cb -0.07 -0.32 -0.05 0.00 -1.46 0.00 0.00 42.92 41.02 1nyn s ASP 15 CO 0.51 0.09 -0.19 -0.76 0.52 0.00 0.00 175.17 175.34 1nyn s LEU 16 N -2.98 2.50 0.02 -1.34 1.43 -0.42 -4.65 118.68 113.23 1nyn s LEU 16 Ca 0.24 -0.94 0.03 0.00 -1.03 0.00 0.00 54.13 52.43 1nyn s LEU 16 Cb -0.07 -0.92 -0.01 0.00 0.03 0.00 0.00 46.19 45.21 1nyn s LEU 16 CO 0.12 -0.02 -0.08 -0.63 0.23 0.00 0.00 176.35 175.97 1nyn s ILE 17 N -2.30 0.65 0.25 -0.59 1.01 -0.24 -0.72 121.20 119.25 1nyn s ILE 17 Ca 0.22 -0.64 0.05 0.00 0.00 0.00 0.00 60.65 60.28 1nyn s ILE 17 Cb -0.05 -0.60 -0.05 0.00 0.01 0.00 0.00 42.46 41.77 1nyn s ILE 17 CO 0.09 -0.02 -0.02 0.68 0.00 0.00 0.00 174.94 175.68 1nyn s VAL 18 N -0.62 1.25 -0.05 2.92 -7.23 -0.96 -2.33 120.40 113.38 1nyn s VAL 18 Ca -0.01 -2.06 -0.01 0.00 -1.81 0.00 0.00 61.98 58.09 1nyn s VAL 18 Cb -0.06 -2.42 -0.04 0.00 0.56 0.00 0.00 36.38 34.43 1nyn s VAL 18 CO 0.00 -0.29 0.02 -0.36 -0.31 0.00 0.00 175.10 174.17 1nyn s PHE 19 N -3.27 3.19 0.29 2.82 0.08 -1.26 -2.18 117.98 117.65 1nyn s PHE 19 Ca 0.29 0.19 0.07 0.00 0.12 0.00 0.00 56.93 57.60 1nyn s PHE 19 Cb 0.05 -1.76 -0.02 0.00 -0.57 0.00 0.00 43.02 40.72 1nyn s PHE 19 CO 0.10 0.50 0.24 0.00 -0.10 0.00 0.00 175.22 175.96 1nyn n ALA 20 N 1.77 0.62 -0.35 5.36 0.00 -0.97 -4.31 120.51 122.62 1nyn n ALA 20 Ca -0.17 -1.70 0.00 0.00 0.00 0.00 0.00 53.44 51.58 1nyn n ALA 20 Cb 0.53 1.36 0.00 0.00 0.00 0.00 0.00 19.45 21.35 1nyn n ALA 20 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1nyn n ALA 21 N -1.03 0.00 -2.79 0.00 0.00 -1.07 -3.73 120.51 111.90 1nyn n ALA 21 Ca -0.10 -0.12 -0.10 0.00 0.00 0.00 0.00 53.44 53.12 1nyn n ALA 21 Cb 0.52 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.91 1nyn n ALA 21 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 1nyn s SER 22 N -2.78 0.01 0.20 0.00 0.01 -1.26 -3.46 113.70 106.42 1nyn s SER 22 Ca 0.00 -0.90 -0.04 0.00 1.31 0.00 0.00 55.95 56.31 1nyn s SER 22 Cb 0.00 0.47 0.15 0.00 0.21 0.00 0.00 66.02 66.84 1nyn s SER 22 CO 0.00 -0.94 1.57 -0.08 0.41 0.00 0.00 173.24 174.20 1nyn h GLU 23 N 2.48 0.70 -0.87 12.44 4.81 -1.98 -1.90 114.58 130.26 1nyn h GLU 23 Ca -0.31 -0.34 -0.01 0.00 -0.13 0.00 0.00 59.36 58.57 1nyn h GLU 23 Cb 1.24 -0.00 -0.04 0.00 0.63 0.00 0.00 28.75 30.57 1nyn h GLU 23 CO 0.46 0.95 0.52 1.49 -0.73 0.00 0.00 179.01 181.70 1nyn h GLU 24 N 0.58 1.18 0.09 1.92 4.81 -1.99 -0.95 114.58 120.22 1nyn h GLU 24 Ca 0.06 -0.11 -0.00 0.00 -0.13 0.00 0.00 59.36 59.17 1nyn h GLU 24 Cb 0.89 -0.25 0.00 0.00 0.63 0.00 0.00 28.75 30.02 1nyn h GLU 24 CO 0.08 0.83 -0.04 -0.07 -0.73 0.00 0.00 179.01 179.08 1nyn h LEU 25 N 1.20 -0.10 -0.79 1.64 3.38 -1.93 -2.48 115.31 116.23 1nyn h LEU 25 Ca 0.31 -0.41 0.15 0.00 0.09 0.00 0.00 57.88 58.02 1nyn h LEU 25 Cb -0.04 0.03 -0.10 0.00 0.09 0.00 0.00 40.66 40.64 1nyn h LEU 25 CO -0.06 0.38 0.33 0.58 0.09 0.00 0.00 178.44 179.76 1nyn h VAL 26 N -0.63 0.64 -0.77 1.22 2.07 -1.19 0.14 116.25 117.74 1nyn h VAL 26 Ca -0.01 -0.16 -0.01 0.00 0.82 0.00 0.00 66.70 67.34 1nyn h VAL 26 Cb 0.51 0.14 -0.04 0.00 -1.52 0.00 0.00 31.29 30.38 1nyn h VAL 26 CO 0.02 0.08 0.44 -0.78 0.02 0.00 0.00 177.57 177.36 1nyn h ASP 27 N 0.46 0.95 -0.20 0.57 1.82 -1.14 -1.55 116.42 117.33 1nyn h ASP 27 Ca 0.44 -0.08 -0.07 0.00 -0.39 0.00 0.00 57.03 56.93 1nyn h ASP 27 Cb 0.68 -0.24 -0.02 0.00 0.68 0.00 0.00 39.33 40.44 1nyn h ASP 27 CO -0.42 0.75 -0.09 -0.33 -1.61 0.00 0.00 179.24 177.55 1nyn h GLU 28 N 1.06 0.56 0.30 0.28 5.08 -0.33 -2.91 114.58 118.62 1nyn h GLU 28 Ca 0.27 -0.16 -0.01 0.00 -1.00 0.00 0.00 59.36 58.46 1nyn h GLU 28 Cb 0.00 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.19 1nyn h GLU 28 CO -0.05 0.65 -0.14 -0.92 -1.00 0.00 0.00 179.01 177.55 1nyn h TYR 29 N 0.52 -0.37 0.00 4.33 3.20 -0.21 -2.24 116.97 122.20 1nyn h TYR 29 Ca 0.10 -0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.96 1nyn h TYR 29 Cb 0.47 0.12 0.00 0.00 1.54 0.00 0.00 36.73 38.86 1nyn h TYR 29 CO 0.02 -0.06 0.38 -0.07 -1.64 0.00 0.00 178.16 176.79 1nyn h LEU 30 N -0.68 0.00 -0.05 2.82 3.38 -1.23 0.13 115.31 119.68 1nyn h LEU 30 Ca -0.04 0.00 -0.15 0.00 0.09 0.00 0.00 57.88 57.78 1nyn h LEU 30 Cb 0.47 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.23 1nyn h LEU 30 CO 0.07 0.00 -0.54 0.50 0.09 0.00 0.00 178.44 178.56 1nyn h LYS 31 N 0.00 0.45 -2.50 1.13 3.64 -1.21 -3.38 116.57 114.70 1nyn h LYS 31 Ca 0.00 -0.42 -0.60 0.00 -1.27 0.00 0.00 60.65 58.36 1nyn h LYS 31 Cb 0.76 0.10 -0.40 0.00 -0.41 0.00 0.00 32.23 32.29 1nyn h LYS 31 CO 0.00 1.07 -0.80 0.09 -2.27 0.00 0.00 179.45 177.53 1nyn n ASN 32 N -4.24 1.51 -4.20 4.20 5.03 0.42 -5.11 115.26 112.87 1nyn n ASN 32 Ca -0.09 -2.89 -0.35 0.00 0.87 0.00 0.00 54.58 52.12 1nyn n ASN 32 Cb 0.63 -0.65 0.10 0.00 -1.02 0.00 0.00 39.78 38.83 1nyn n ASN 32 CO 0.00 0.00 0.00 -2.65 -1.83 0.00 0.00 177.26 172.78 1nyn n PRO 33 N 1.95 -0.50 -3.92 3.52 -0.02 -1.00 -4.88 135.00 130.14 1nyn n PRO 33 Ca 0.25 -0.13 0.00 0.00 -2.02 0.00 0.00 63.50 61.60 1nyn n PRO 33 Cb 0.43 -1.45 0.00 0.00 -0.02 0.00 0.00 33.50 32.46 1nyn n PRO 33 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 1nyn n SER 34 N 0.65 0.00 -0.00 2.55 2.88 -1.26 -4.99 113.62 113.45 1nyn n SER 34 Ca 0.01 0.00 0.03 0.00 -1.33 0.00 0.00 58.87 57.58 1nyn n SER 34 Cb 0.60 0.00 -0.04 0.00 -0.75 0.00 0.00 64.21 64.03 1nyn n SER 34 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1nyn n ILE 35 N 5.25 0.00 0.37 2.46 0.13 -1.26 -4.21 119.36 122.11 1nyn n ILE 35 Ca 0.00 -0.27 0.13 0.00 -1.10 0.00 0.00 62.75 61.51 1nyn n ILE 35 Cb 0.00 0.73 0.30 0.00 -0.84 0.00 0.00 39.64 39.84 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 1.15 0.00 0.00 4.50 0.00 -1.98 -3.22 103.07 103.52 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 -1.74 1.17 0.00 0.00 0.00 176.54 175.97 1nyn n LYS 37 N -2.78 0.61 0.05 4.80 4.81 -1.26 -4.33 118.16 120.06 1nyn n LYS 37 Ca 0.04 -0.15 0.02 0.00 -0.87 0.00 0.00 58.31 57.35 1nyn n LYS 37 Cb 0.47 -1.43 0.37 0.00 0.02 0.00 0.00 35.03 34.46 1nyn n LYS 37 CO 0.00 0.00 0.00 1.25 1.17 0.00 0.00 177.40 179.82 1nyn h LEU 38 N 0.00 0.37 -1.43 3.14 5.85 -1.72 -0.78 115.31 120.74 1nyn h LEU 38 Ca 0.00 -0.05 -0.01 0.00 0.84 0.00 0.00 57.88 58.66 1nyn h LEU 38 Cb 0.80 -0.10 -0.00 0.00 0.37 0.00 0.00 40.66 41.73 1nyn h LEU 38 CO 0.00 0.42 -0.03 0.77 -0.34 0.00 0.00 178.44 179.27 1nyn h SER 39 N 0.39 0.00 0.00 1.25 4.64 -1.76 -0.29 113.55 117.78 1nyn h SER 39 Ca 0.09 0.00 -0.08 0.00 -0.47 0.00 0.00 61.79 61.32 1nyn h SER 39 Cb 0.25 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.32 1nyn h SER 39 CO 0.00 0.03 -0.47 -0.33 -0.87 0.00 0.00 176.83 175.19 1nyn h GLU 40 N 0.00 0.00 -0.34 4.77 5.08 -1.39 -3.36 114.58 119.35 1nyn h GLU 40 Ca -0.00 0.00 -0.11 0.00 -1.00 0.00 0.00 59.36 58.25 1nyn h GLU 40 Cb 0.54 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.77 1nyn h GLU 40 CO 0.00 0.96 -0.24 0.28 -1.00 0.00 0.00 179.01 179.02 1nyn h VAL 41 N -1.00 1.27 -3.59 3.13 2.07 -1.39 -3.40 116.25 113.35 1nyn h VAL 41 Ca -0.13 -1.32 -0.65 0.00 0.82 0.00 0.00 66.70 65.42 1nyn h VAL 41 Cb 1.08 1.27 -0.15 0.00 -1.52 0.00 0.00 31.29 31.97 1nyn h VAL 41 CO -0.08 0.43 0.11 -0.69 0.02 0.00 0.00 177.57 177.36 1nyn s VAL 42 N -4.56 4.85 -0.52 2.57 1.01 -0.12 -2.58 120.40 121.04 1nyn s VAL 42 Ca -0.08 0.15 0.24 0.00 0.00 0.00 0.00 61.98 62.28 1nyn s VAL 42 Cb 0.13 -4.18 0.31 0.00 0.00 0.00 0.00 36.38 32.64 1nyn s VAL 42 CO 0.82 -0.55 1.63 -0.08 0.00 0.00 0.00 175.10 176.92 1nyn h GLU 43 N 8.82 0.00 -2.88 2.72 4.81 -1.77 -3.43 114.58 122.85 1nyn h GLU 43 Ca -0.26 0.00 -0.13 0.00 -0.13 0.00 0.00 59.36 58.84 1nyn h GLU 43 Cb 1.10 0.00 -0.24 0.00 0.63 0.00 0.00 28.75 30.24 1nyn h GLU 43 CO 0.88 0.00 -0.28 -1.17 -0.73 0.00 0.00 179.01 177.71 1nyn s LEU 44 N -5.65 0.65 -1.09 1.64 2.96 -1.26 -5.07 118.68 110.86 1nyn s LEU 44 Ca 0.08 0.60 -0.04 0.00 -0.22 0.00 0.00 54.13 54.55 1nyn s LEU 44 Cb 0.07 1.26 0.30 0.00 0.50 0.00 0.00 46.19 48.32 1nyn s LEU 44 CO 0.65 -0.20 1.58 0.49 -1.32 0.00 0.00 176.35 177.56 1nyn n PHE 45 N 2.54 2.35 -3.69 5.38 3.01 -1.26 -4.76 117.46 121.02 1nyn n PHE 45 Ca -0.15 -2.58 -0.11 0.00 1.01 0.00 0.00 57.45 55.62 1nyn n PHE 45 Cb 0.57 -1.31 -0.11 0.00 -0.01 0.00 0.00 39.48 38.62 1nyn n PHE 45 CO 0.00 0.00 0.00 -2.00 1.01 0.00 0.00 176.76 175.77 1nyn s GLU 46 N -2.73 0.34 -0.15 -1.08 2.56 -1.26 -5.14 118.70 111.24 1nyn s GLU 46 Ca 0.33 0.78 -0.17 0.00 0.00 0.00 0.00 54.97 55.91 1nyn s GLU 46 Cb 0.07 0.00 -0.04 0.00 2.00 0.00 0.00 34.13 36.17 1nyn s GLU 46 CO 0.07 -0.18 0.43 0.08 -0.56 0.00 0.00 175.26 175.10 1nyn s VAL 47 N 1.57 5.20 0.19 3.70 1.01 -1.26 -4.72 120.40 126.09 1nyn s VAL 47 Ca -0.08 0.83 0.09 0.00 0.00 0.00 0.00 61.98 62.82 1nyn s VAL 47 Cb -0.09 -3.77 -0.04 0.00 0.00 0.00 0.00 36.38 32.48 1nyn s VAL 47 CO -0.12 0.30 -0.08 -0.36 0.00 0.00 0.00 175.10 174.84 1nyn s PHE 48 N 0.85 2.64 0.08 5.22 0.40 -0.99 -1.14 117.98 125.06 1nyn s PHE 48 Ca 0.23 -0.22 0.04 0.00 -0.60 0.00 0.00 56.93 56.38 1nyn s PHE 48 Cb -0.15 -1.28 -0.03 0.00 0.51 0.00 0.00 43.02 42.08 1nyn s PHE 48 CO 0.09 0.53 -0.12 0.95 0.70 0.00 0.00 175.22 177.36 1nyn s THR 49 N -1.78 1.02 -0.05 0.64 -4.23 -0.57 -1.08 115.64 109.59 1nyn s THR 49 Ca 0.26 -1.42 -0.30 0.00 -1.18 0.00 0.00 61.69 59.04 1nyn s THR 49 Cb -0.08 -1.15 -0.05 0.00 1.34 0.00 0.00 72.50 72.56 1nyn s THR 49 CO 0.16 -0.36 1.46 -2.16 -0.54 0.00 0.00 174.62 173.18 1nyn s PRO 50 N -2.13 4.24 0.00 3.99 0.04 -1.26 0.10 135.00 139.97 1nyn s PRO 50 Ca 0.00 1.99 0.00 0.00 0.04 0.00 0.00 61.00 63.03 1nyn s PRO 50 Cb -0.07 -3.75 0.00 0.00 0.04 0.00 0.00 34.50 30.72 1nyn s PRO 50 CO 0.02 -0.70 0.00 0.94 0.04 0.00 0.00 177.00 177.30 1nyn n GLN 51 N 6.21 3.32 0.00 4.56 -0.06 -1.26 -4.78 117.38 125.37 1nyn n GLN 51 Ca 0.15 0.00 0.00 0.00 -2.00 0.00 0.00 57.00 55.15 1nyn n GLN 51 Cb 0.43 0.00 0.00 0.00 -4.06 0.00 0.00 30.24 26.61 1nyn n GLN 51 CO 0.00 0.00 0.00 -0.25 -0.20 0.00 0.00 177.06 176.61 1nyn n ASP 52 N 0.00 0.00 -4.73 1.69 8.00 -1.26 -4.49 116.55 115.76 1nyn n ASP 52 Ca 0.00 0.48 -0.42 0.00 0.71 0.00 0.00 54.79 55.57 1nyn n ASP 52 Cb 0.00 0.00 -0.03 0.00 -0.02 0.00 0.00 41.12 41.07 1nyn n ASP 52 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 1nyn s GLY 53 N 0.00 2.11 0.00 0.44 0.00 -1.26 -5.01 107.32 103.60 1nyn s GLY 53 Ca 0.00 1.26 0.00 0.00 0.00 0.00 0.00 44.72 45.98 1nyn s GLY 53 CO 0.00 2.33 0.00 0.54 0.00 0.00 0.00 173.10 175.97 1nyn n ARG 54 N 3.04 3.42 -1.61 2.90 1.74 -1.26 -4.78 116.66 120.11 1nyn n ARG 54 Ca 0.09 0.00 -0.04 0.00 -0.77 0.00 0.00 57.85 57.13 1nyn n ARG 54 Cb 0.41 0.00 -0.01 0.00 -1.02 0.00 0.00 32.46 31.84 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 5.00 0.44 2.24 -0.13 0.00 -1.26 -4.57 105.19 106.91 1nyn n GLY 55 Ca 0.00 -0.80 0.00 0.00 0.00 0.00 0.00 46.02 45.22 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 -0.08 -1.91 0.03 4.61 0.00 -1.26 -5.03 120.51 116.87 1nyn n ALA 56 Ca -0.05 0.46 0.00 0.00 0.00 0.00 0.00 53.44 53.85 1nyn n ALA 56 Cb 0.34 -1.41 0.00 0.00 0.00 0.00 0.00 19.45 18.38 1nyn n ALA 56 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 1nyn n GLU 57 N 1.90 0.00 0.00 0.00 2.13 -1.26 -5.06 120.64 118.36 1nyn n GLU 57 Ca 0.00 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.82 1nyn n GLU 57 Cb 0.00 -0.17 0.00 0.00 0.27 0.00 0.00 31.44 31.54 1nyn n GLU 57 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1nyn n GLY 58 N 2.06 0.43 2.79 8.31 0.00 -1.26 -5.03 105.19 112.49 1nyn n GLY 58 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 1nyn n GLY 58 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1nyn n GLU 59 N 0.00 3.95 -0.41 1.61 0.28 -1.26 -5.05 120.64 119.76 1nyn n GLU 59 Ca 0.00 -4.65 -0.12 0.00 -0.16 0.00 0.00 57.16 52.23 1nyn n GLU 59 Cb 0.00 -2.32 0.10 0.00 1.43 0.00 0.00 31.44 30.65 1nyn n GLU 59 CO 0.00 0.00 0.00 1.28 -0.16 0.00 0.00 177.13 178.25 1nyn n LEU 60 N -0.24 0.00 -4.02 -1.84 4.77 -1.26 -4.24 117.00 110.17 1nyn n LEU 60 Ca 0.39 -0.46 -0.31 0.00 -0.03 0.00 0.00 56.01 55.60 1nyn n LEU 60 Cb 0.37 -0.39 -0.16 0.00 -2.33 0.00 0.00 43.42 40.91 1nyn n LEU 60 CO 0.41 -1.46 -0.46 -0.83 -1.33 0.00 0.00 177.39 173.72 1nyn s GLY 61 N -3.28 1.39 -0.29 -0.72 0.00 0.28 -4.69 107.32 100.01 1nyn s GLY 61 Ca 0.28 -1.38 -0.35 0.00 0.00 0.00 0.00 44.72 43.27 1nyn s GLY 61 CO 0.21 0.67 2.12 0.00 0.00 0.00 0.00 173.10 176.11 1nyn n ALA 62 N 4.61 1.05 -1.98 3.20 0.00 -1.26 -1.51 120.51 124.62 1nyn n ALA 62 Ca -0.15 -0.01 -0.42 0.00 0.00 0.00 0.00 53.44 52.87 1nyn n ALA 62 Cb 0.45 -2.56 -0.03 0.00 0.00 0.00 0.00 19.45 17.31 1nyn n ALA 62 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1nyn s ALA 63 N 6.77 3.72 -0.00 0.00 0.00 -0.29 -4.90 121.76 127.06 1nyn s ALA 63 Ca 1.06 1.31 -0.15 0.00 0.00 0.00 0.00 51.96 54.18 1nyn s ALA 63 Cb -0.79 -3.60 -0.06 0.00 0.00 0.00 0.00 23.12 18.68 1nyn s ALA 63 CO 0.49 -0.74 0.41 -1.12 0.00 0.00 0.00 175.76 174.80 1nyn s SER 64 N 1.06 6.81 0.58 0.00 0.01 -1.26 -4.71 113.70 116.19 1nyn s SER 64 Ca 0.68 0.96 0.37 0.00 1.31 0.00 0.00 55.95 59.28 1nyn s SER 64 Cb -0.42 -2.25 1.33 0.00 0.21 0.00 0.00 66.02 64.89 1nyn s SER 64 CO 0.32 0.32 1.48 0.11 0.41 0.00 0.00 173.24 175.87 1nyn h LYS 65 N 4.77 0.00 -0.86 12.44 1.57 -1.97 1.40 116.57 133.91 1nyn h LYS 65 Ca -0.51 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.25 1nyn h LYS 65 Cb 1.22 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 33.49 1nyn h LYS 65 CO 0.62 0.00 0.48 0.00 -0.57 0.00 0.00 179.45 179.98 1nyn h ALA 66 N 0.83 1.22 0.16 3.86 0.00 -1.99 0.11 119.26 123.45 1nyn h ALA 66 Ca 0.67 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 55.45 1nyn h ALA 66 Cb 3.16 -0.35 0.00 0.00 0.00 0.00 0.00 17.79 20.60 1nyn h ALA 66 CO -0.01 0.63 -0.08 0.37 0.00 0.00 0.00 179.25 180.17 1nyn h GLN 67 N 1.20 -0.20 -0.33 0.00 5.75 0.15 -3.10 115.11 118.58 1nyn h GLN 67 Ca 0.30 0.01 0.10 0.00 -0.15 0.00 0.00 58.65 58.91 1nyn h GLN 67 Cb 0.01 0.05 -0.01 0.00 1.07 0.00 0.00 27.48 28.59 1nyn h GLN 67 CO -0.05 0.03 0.41 0.28 -2.65 0.00 0.00 178.83 176.85 1nyn h VAL 68 N -1.02 0.32 -0.18 2.39 2.07 -1.50 0.23 116.25 118.55 1nyn h VAL 68 Ca -0.02 0.00 -0.06 0.00 0.82 0.00 0.00 66.70 67.44 1nyn h VAL 68 Cb 0.33 0.66 -0.00 0.00 -1.52 0.00 0.00 31.29 30.75 1nyn h VAL 68 CO 0.04 0.00 -0.11 -0.33 0.02 0.00 0.00 177.57 177.18 1nyn h GLU 69 N 0.00 0.40 0.00 1.57 5.08 -0.77 -2.41 114.58 118.45 1nyn h GLU 69 Ca 0.16 -0.18 0.00 0.00 -1.00 0.00 0.00 59.36 58.33 1nyn h GLU 69 Cb 0.98 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.23 1nyn h GLU 69 CO -0.00 0.72 0.39 -0.91 -1.00 0.00 0.00 179.01 178.21 1nyn h ASN 70 N 0.07 0.00 0.00 1.42 4.21 -0.87 4.60 115.58 125.02 1nyn h ASN 70 Ca 0.04 0.00 -0.15 0.00 1.21 0.00 0.00 56.30 57.40 1nyn h ASN 70 Cb 0.61 0.00 -0.02 0.00 -1.12 0.00 0.00 38.32 37.79 1nyn h ASN 70 CO 0.03 0.00 -0.94 -0.08 -1.29 0.00 0.00 177.43 175.15 1nyn h GLU 71 N 0.00 0.00 -0.31 0.81 4.22 -1.46 -3.40 114.58 114.44 1nyn h GLU 71 Ca 0.00 0.00 -0.20 0.00 0.08 0.00 0.00 59.36 59.24 1nyn h GLU 71 Cb 0.79 0.00 -0.13 0.00 0.50 0.00 0.00 28.75 29.91 1nyn h GLU 71 CO 0.00 0.75 -0.33 1.19 -2.18 0.00 0.00 179.01 178.44 1nyn n PHE 72 N -4.50 1.05 -1.66 0.92 3.72 -0.56 -5.06 117.46 111.36 1nyn n PHE 72 Ca -0.24 -1.73 0.00 0.00 -0.05 0.00 0.00 57.45 55.43 1nyn n PHE 72 Cb 0.55 -0.42 0.00 0.00 -0.94 0.00 0.00 39.48 38.67 1nyn n PHE 72 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1nyn n GLY 73 N -1.05 0.62 0.61 1.37 0.00 1.50 -3.97 105.19 104.27 1nyn n GLY 73 Ca 0.31 -0.85 0.06 0.00 0.00 0.00 0.00 46.02 45.53 1nyn n GLY 73 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1nyn n LYS 74 N -0.02 1.59 -0.02 1.61 2.85 -1.26 -4.41 118.16 118.50 1nyn n LYS 74 Ca 0.00 -3.28 -0.12 0.00 -1.05 0.00 0.00 58.31 53.86 1nyn n LYS 74 Cb 0.00 -1.62 -0.14 0.00 -0.65 0.00 0.00 35.03 32.61 1nyn n LYS 74 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1nyn n GLY 75 N -1.13 -0.88 3.94 2.58 0.00 -1.25 -4.90 105.19 103.54 1nyn n GLY 75 Ca 0.20 -0.12 -0.26 0.00 0.00 0.00 0.00 46.02 45.84 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 -2.58 3.48 0.71 1.61 1.02 -1.26 -5.11 119.74 117.61 1nyn s LYS 76 Ca -0.10 -0.49 -0.09 0.00 0.02 0.00 0.00 55.97 55.31 1nyn s LYS 76 Cb 0.08 -2.89 0.16 0.00 -0.52 0.00 0.00 37.83 34.66 1nyn s LYS 76 CO 0.81 0.44 0.96 1.63 -0.92 0.00 0.00 175.35 178.27 1nyn n LYS 77 N -0.76 -0.73 0.15 1.68 4.76 -1.26 -4.88 118.16 117.12 1nyn n LYS 77 Ca -0.06 -1.73 0.13 0.00 -2.87 0.00 0.00 58.31 53.78 1nyn n LYS 77 Cb 0.54 -0.91 0.48 0.00 -1.84 0.00 0.00 35.03 33.30 1nyn n LYS 77 CO 0.00 0.00 0.00 0.97 -1.37 0.00 0.00 177.40 177.00 1nyn h ILE 78 N -1.32 0.00 0.00 -0.18 6.09 -1.99 -2.76 117.51 117.35 1nyn h ILE 78 Ca -0.31 -0.35 0.00 0.00 -1.37 0.00 0.00 64.86 62.82 1nyn h ILE 78 Cb 0.92 1.19 0.00 0.00 0.47 0.00 0.00 36.82 39.41 1nyn h ILE 78 CO 0.25 0.00 0.00 -1.84 -3.07 0.00 0.00 178.15 173.49 1nyn n GLU 79 N -2.38 0.00 -0.24 2.19 0.28 -1.26 -2.37 120.64 116.85 1nyn n GLU 79 Ca 0.03 0.46 0.17 0.00 -0.16 0.00 0.00 57.16 57.65 1nyn n GLU 79 Cb 0.30 -1.13 0.47 0.00 1.43 0.00 0.00 31.44 32.51 1nyn n GLU 79 CO 0.00 0.00 0.00 0.93 -0.16 0.00 0.00 177.13 177.90 1nyn h GLU 80 N 0.00 0.48 0.37 3.44 4.39 -1.95 -2.32 114.58 118.98 1nyn h GLU 80 Ca 0.00 -0.03 -0.01 0.00 0.34 0.00 0.00 59.36 59.66 1nyn h GLU 80 Cb 0.00 -0.11 -0.01 0.00 -0.10 0.00 0.00 28.75 28.53 1nyn h GLU 80 CO 0.00 0.32 -0.28 0.28 -1.16 0.00 0.00 179.01 178.16 1nyn h VAL 81 N 0.49 0.00 -1.10 3.13 2.07 -1.57 -1.36 116.25 117.91 1nyn h VAL 81 Ca 0.45 0.00 0.31 0.00 0.82 0.00 0.00 66.70 68.29 1nyn h VAL 81 Cb 1.00 0.00 -0.06 0.00 -1.52 0.00 0.00 31.29 30.71 1nyn h VAL 81 CO -0.19 0.00 0.77 0.40 0.02 0.00 0.00 177.57 178.58 1nyn h ILE 82 N -0.63 0.46 0.00 4.57 2.04 -1.05 -2.51 117.51 120.39 1nyn h ILE 82 Ca -0.05 -0.03 0.00 0.00 1.00 0.00 0.00 64.86 65.78 1nyn h ILE 82 Cb 0.52 0.35 0.00 0.00 -0.74 0.00 0.00 36.82 36.95 1nyn h ILE 82 CO 0.01 0.02 0.00 0.47 0.00 0.00 0.00 178.15 178.65 1nyn n ASP 83 N -4.31 0.00 -0.26 1.72 8.00 -0.56 -1.67 116.55 119.47 1nyn n ASP 83 Ca 0.24 0.82 0.17 0.00 0.71 0.00 0.00 54.79 56.73 1nyn n ASP 83 Cb 1.11 -0.32 0.32 0.00 -0.02 0.00 0.00 41.12 42.20 1nyn n ASP 83 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 1nyn n LEU 84 N -1.47 0.05 0.11 0.64 4.77 -0.93 0.44 117.00 120.60 1nyn n LEU 84 Ca 0.00 1.31 0.05 0.00 -0.03 0.00 0.00 56.01 57.34 1nyn n LEU 84 Cb 0.00 -0.54 0.50 0.00 -2.33 0.00 0.00 43.42 41.05 1nyn n LEU 84 CO 0.00 -1.38 1.09 0.40 -1.33 0.00 0.00 177.39 176.17 1nyn h ILE 85 N 0.00 1.08 0.00 -0.08 2.04 -1.27 0.26 117.51 119.54 1nyn h ILE 85 Ca 0.54 -0.20 -0.01 0.00 1.00 0.00 0.00 64.86 66.20 1nyn h ILE 85 Cb 1.26 0.78 -0.00 0.00 -0.74 0.00 0.00 36.82 38.13 1nyn h ILE 85 CO -0.68 0.08 -0.02 -0.07 0.00 0.00 0.00 178.15 177.46 1nyn h LEU 86 N 0.30 0.00 -0.52 1.44 3.38 1.00 -2.28 115.31 118.63 1nyn h LEU 86 Ca 0.08 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.05 1nyn h LEU 86 Cb 0.02 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.77 1nyn h LEU 86 CO -0.01 0.02 -0.14 0.54 0.09 0.00 0.00 178.44 178.94 1nyn n ARG 87 N -3.12 1.01 0.00 1.13 3.00 0.06 -4.65 116.66 114.10 1nyn n ARG 87 Ca 0.01 -0.52 0.00 0.00 -0.01 0.00 0.00 57.85 57.33 1nyn n ARG 87 Cb 0.36 -1.49 0.00 0.00 0.00 0.00 0.00 32.46 31.33 1nyn n ARG 87 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.63 177.72 1nyn n ASN 88 N -0.54 0.00 -1.50 0.55 4.13 -0.89 -5.11 115.26 111.91 1nyn n ASN 88 Ca 0.15 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.41 1nyn n ASN 88 Cb 0.32 0.00 0.00 0.00 -1.54 0.00 0.00 39.78 38.56 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 4.11 -4.77 4.11 7.41 0.00 -1.05 -4.57 105.19 110.44 1nyn n GLY 89 Ca 0.00 -0.44 -0.47 0.00 0.00 0.00 0.00 46.02 45.12 1nyn n GLY 89 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1nyn n LYS 90 N 1.09 -0.24 -1.41 1.61 3.00 -0.86 -4.78 118.16 116.58 1nyn n LYS 90 Ca 0.00 0.05 -0.39 0.00 -0.00 0.00 0.00 58.31 57.98 1nyn n LYS 90 Cb 0.00 -2.50 0.03 0.00 0.00 0.00 0.00 35.03 32.55 1nyn n LYS 90 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.40 175.10 1nyn n PRO 91 N -5.07 0.37 0.00 1.64 -0.02 -1.26 -5.01 135.00 125.65 1nyn n PRO 91 Ca -0.13 0.15 0.00 0.00 -2.02 0.00 0.00 63.50 61.50 1nyn n PRO 91 Cb 0.57 -1.49 0.00 0.00 -0.02 0.00 0.00 33.50 32.55 1nyn n PRO 91 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 1nyn n ASN 92 N 1.10 0.53 0.00 2.55 3.02 -1.26 -4.98 115.26 116.21 1nyn n ASN 92 Ca 0.11 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.66 1nyn n ASN 92 Cb 0.47 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.64 1nyn n ASN 92 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 1nyn n SER 93 N 0.00 0.00 0.00 6.41 7.64 -1.26 -5.12 113.62 121.29 1nyn n SER 93 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 1nyn n SER 93 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 1nyn n SER 93 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 1nyn n THR 94 N 0.00 0.00 -3.01 0.44 -2.24 -1.26 -4.21 114.28 104.00 1nyn n THR 94 Ca 0.00 0.00 -0.04 0.00 -2.27 0.00 0.00 64.05 61.74 1nyn n THR 94 Cb 0.00 0.00 -0.01 0.00 -2.10 0.00 0.00 70.33 68.22 1nyn n THR 94 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 1nyn s THR 95 N 0.00 -0.89 -0.19 4.28 2.01 -1.26 -5.13 115.64 114.46 1nyn s THR 95 Ca 0.00 -0.68 -0.09 0.00 0.31 0.00 0.00 61.69 61.23 1nyn s THR 95 Cb 0.00 -0.11 -0.05 0.00 0.01 0.00 0.00 72.50 72.36 1nyn s THR 95 CO 0.00 -0.10 0.10 -0.44 -0.69 0.00 0.00 174.62 173.49 1nyn s SER 96 N 1.26 5.96 -0.07 3.53 0.01 -1.26 -4.76 113.70 118.37 1nyn s SER 96 Ca 0.24 0.17 0.01 0.00 1.31 0.00 0.00 55.95 57.68 1nyn s SER 96 Cb -0.03 -2.03 0.02 0.00 0.21 0.00 0.00 66.02 64.19 1nyn s SER 96 CO -0.06 0.19 -0.08 -0.44 0.41 0.00 0.00 173.24 173.25 1nyn s SER 97 N 0.32 1.69 0.29 2.44 0.01 -1.26 -5.01 113.70 112.18 1nyn s SER 97 Ca 0.06 -0.25 0.00 0.00 1.31 0.00 0.00 55.95 57.07 1nyn s SER 97 Cb -0.12 -0.72 0.00 0.00 0.21 0.00 0.00 66.02 65.39 1nyn s SER 97 CO -0.01 -0.05 0.00 0.18 0.41 0.00 0.00 173.24 173.77 1nyn n LEU 98 N 4.28 0.00 -4.59 2.44 4.77 -1.26 -4.21 117.00 118.44 1nyn n LEU 98 Ca -0.19 0.00 -0.42 0.00 -0.03 0.00 0.00 56.01 55.37 1nyn n LEU 98 Cb 0.51 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.57 1nyn n LEU 98 CO 0.21 0.00 1.43 -0.54 -1.33 0.00 0.00 177.39 177.17 1nyn s LYS 99 N 0.00 3.26 0.20 3.23 1.02 -1.26 -4.93 119.74 121.27 1nyn s LYS 99 Ca 0.00 1.02 -0.30 0.00 0.02 0.00 0.00 55.97 56.71 1nyn s LYS 99 Cb 0.00 -4.18 -0.16 0.00 -0.52 0.00 0.00 37.83 32.97 1nyn s LYS 99 CO 0.00 -1.95 0.88 2.41 -0.92 0.00 0.00 175.35 175.76 1nyn n THR 100 N 7.22 1.54 -3.08 2.17 -1.04 -1.26 -2.02 114.28 117.81 1nyn n THR 100 Ca 0.19 -0.39 -0.13 0.00 -2.04 0.00 0.00 64.05 61.68 1nyn n THR 100 Cb 0.48 -0.51 0.07 0.00 -1.82 0.00 0.00 70.33 68.55 1nyn n THR 100 CO 0.00 0.00 0.00 1.17 -0.64 0.00 0.00 175.07 175.60 1nyn n LYS 101 N 1.15 -4.07 -0.63 -2.82 4.81 -1.26 -4.95 118.16 110.38 1nyn n LYS 101 Ca 0.15 0.70 -0.27 0.00 -0.87 0.00 0.00 58.31 58.02 1nyn n LYS 101 Cb 0.25 -5.19 0.15 0.00 0.02 0.00 0.00 35.03 30.27 1nyn n LYS 101 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1nyn n GLY 102 N -1.17 -2.57 0.74 3.14 0.00 -0.86 -4.99 105.19 99.48 1nyn n GLY 102 Ca -0.17 -0.76 0.00 0.00 0.00 0.00 0.00 46.02 45.09 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 2.31 -0.42 0.00 -0.02 0.00 -1.26 -5.11 105.19 100.69 1nyn n GLY 103 Ca 0.03 0.08 0.00 0.00 0.00 0.00 0.00 46.02 46.13 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 -1.56 0.00 -0.45 1.61 5.15 -1.26 -5.08 115.26 113.67 1nyn n ASN 104 Ca 0.00 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 53.98 1nyn n ASN 104 Cb 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.25 1nyn n ASN 104 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1nyn n ALA 105 N -3.00 1.91 0.00 5.20 0.00 -1.26 -5.09 120.51 118.27 1nyn n ALA 105 Ca 0.00 -0.80 0.00 0.00 0.00 0.00 0.00 53.44 52.64 1nyn n ALA 105 Cb 0.00 -0.38 0.00 0.00 0.00 0.00 0.00 19.45 19.07 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 0.00 2.67 0.50 0.00 0.00 -1.26 -4.98 105.19 102.11 1nyn n GLY 106 Ca 0.00 -1.05 -0.18 0.00 0.00 0.00 0.00 46.02 44.79 1nyn n GLY 106 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1nyn h THR 107 N 0.00 0.03 0.00 2.61 2.02 -1.99 -3.44 112.91 112.15 1nyn h THR 107 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.18 1nyn h THR 107 Cb 0.00 0.03 0.00 0.00 -1.74 0.00 0.00 68.15 66.44 1nyn h THR 107 CO 0.00 0.00 0.00 1.17 0.37 0.00 0.00 175.52 177.06 1nyn n LYS 108 N -5.57 0.12 0.00 6.66 4.81 -1.26 -5.13 118.16 117.79 1nyn n LYS 108 Ca -0.12 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.32 1nyn n LYS 108 Cb 0.46 -0.02 0.00 0.00 0.02 0.00 0.00 35.03 35.49 1nyn n LYS 108 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1nyn n ALA 109 N -0.23 0.00 -2.83 3.14 0.00 -1.26 -4.99 120.51 114.34 1nyn n ALA 109 Ca 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 53.44 53.27 1nyn n ALA 109 Cb 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 19.45 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 -1.60 -0.07 0.00 4.01 -1.26 -5.01 117.16 113.23 1nyn n TYR 110 Ca 0.00 0.22 0.00 0.00 -0.16 0.00 0.00 57.90 57.96 1nyn n TYR 110 Cb 0.00 -3.07 0.00 0.00 -0.31 0.00 0.00 39.34 35.96 1nyn n TYR 110 CO 0.00 0.00 0.00 0.09 -0.46 0.00 0.00 176.86 176.49