#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 0.05 -1.04 6.12 0.01 -1.26 -5.08 113.70 112.49 1nyn s SER 2 Ca 0.00 0.76 -0.17 0.00 1.31 0.00 0.00 55.95 57.85 1nyn s SER 2 Cb 0.00 0.95 0.14 0.00 0.21 0.00 0.00 66.02 67.32 1nyn s SER 2 CO 0.00 -0.23 1.27 0.42 0.41 0.00 0.00 173.24 175.11 1nyn s THR 3 N 2.40 4.76 0.97 1.44 -4.23 -1.26 -5.01 115.64 114.71 1nyn s THR 3 Ca -0.01 -1.90 -0.12 0.00 -1.18 0.00 0.00 61.69 58.48 1nyn s THR 3 Cb -0.12 -4.86 0.17 0.00 1.34 0.00 0.00 72.50 69.04 1nyn s THR 3 CO -0.10 -1.59 1.08 -0.69 -0.54 0.00 0.00 174.62 172.78 1nyn s VAL 4 N 2.51 2.36 -0.04 2.29 1.01 -1.25 -3.85 120.40 123.44 1nyn s VAL 4 Ca 0.38 0.12 -0.29 0.00 0.00 0.00 0.00 61.98 62.19 1nyn s VAL 4 Cb -0.03 -2.46 0.06 0.00 0.00 0.00 0.00 36.38 33.95 1nyn s VAL 4 CO -0.06 -0.15 0.63 -0.89 0.00 0.00 0.00 175.10 174.63 1nyn s THR 5 N -2.80 0.01 -0.19 3.92 2.01 -0.20 -4.91 115.64 113.47 1nyn s THR 5 Ca 0.65 -0.06 -0.03 0.00 0.31 0.00 0.00 61.69 62.56 1nyn s THR 5 Cb -0.20 -0.95 -0.01 0.00 0.01 0.00 0.00 72.50 71.34 1nyn s THR 5 CO 0.59 -0.04 -0.06 -0.54 -0.69 0.00 0.00 174.62 173.88 1nyn s LYS 6 N -1.33 3.43 -0.22 4.92 1.02 -1.26 -0.51 119.74 125.78 1nyn s LYS 6 Ca -0.11 -0.62 -0.16 0.00 0.02 0.00 0.00 55.97 55.10 1nyn s LYS 6 Cb -0.01 -2.91 -0.04 0.00 -0.52 0.00 0.00 37.83 34.35 1nyn s LYS 6 CO 0.08 -0.04 0.42 0.71 -0.92 0.00 0.00 175.35 175.60 1nyn s TYR 7 N 1.06 3.34 0.06 3.18 1.51 -0.72 -4.92 117.35 120.85 1nyn s TYR 7 Ca 0.01 0.59 -0.16 0.00 -1.01 0.00 0.00 57.07 56.49 1nyn s TYR 7 Cb -0.15 -2.57 -0.06 0.00 -0.11 0.00 0.00 41.96 39.07 1nyn s TYR 7 CO -0.00 -0.09 0.50 -0.06 -1.11 0.00 0.00 175.55 174.78 1nyn s PHE 8 N 1.60 3.74 -0.25 2.71 0.40 -1.26 -1.99 117.98 122.94 1nyn s PHE 8 Ca 0.19 1.12 -0.03 0.00 -0.60 0.00 0.00 56.93 57.61 1nyn s PHE 8 Cb -0.15 -2.39 0.11 0.00 0.51 0.00 0.00 43.02 41.10 1nyn s PHE 8 CO 0.09 0.58 0.22 -0.47 0.70 0.00 0.00 175.22 176.34 1nyn s TYR 9 N -1.16 -0.18 -0.13 0.36 5.04 -1.03 0.10 117.35 120.35 1nyn s TYR 9 Ca 0.28 -0.19 -0.28 0.00 -2.44 0.00 0.00 57.07 54.45 1nyn s TYR 9 Cb -0.18 -0.54 -0.01 0.00 0.35 0.00 0.00 41.96 41.58 1nyn s TYR 9 CO 0.17 -0.75 0.93 0.21 -1.34 0.00 0.00 175.55 174.76 1nyn s LYS 10 N 2.28 4.37 0.00 4.97 2.20 -1.26 -2.78 119.74 129.51 1nyn s LYS 10 Ca 0.08 1.22 0.00 0.00 -0.36 0.00 0.00 55.97 56.91 1nyn s LYS 10 Cb -0.15 -3.55 0.00 0.00 -1.51 0.00 0.00 37.83 32.61 1nyn s LYS 10 CO -0.24 -0.32 0.00 0.41 -0.36 0.00 0.00 175.35 174.84 1nyn n GLY 11 N 3.24 1.22 0.00 5.54 0.00 -0.49 -4.99 105.19 109.70 1nyn n GLY 11 Ca 0.07 -1.76 0.00 0.00 0.00 0.00 0.00 46.02 44.33 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 0.00 0.00 0.00 1.61 1.02 -1.26 -4.50 120.64 117.51 1nyn n GLU 12 Ca 0.00 0.65 0.00 0.00 -0.02 0.00 0.00 57.16 57.79 1nyn n GLU 12 Cb 0.00 -1.47 0.00 0.00 -0.02 0.00 0.00 31.44 29.95 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 -2.26 3.67 -4.94 1.62 4.13 -1.26 -5.05 115.26 111.17 1nyn n ASN 13 Ca 0.00 0.00 -0.24 0.00 1.68 0.00 0.00 54.58 56.02 1nyn n ASN 13 Cb 0.00 0.70 -0.00 0.00 -1.54 0.00 0.00 39.78 38.93 1nyn n ASN 13 CO 0.00 0.00 0.00 -0.89 0.28 0.00 0.00 177.26 176.65 1nyn s THR 14 N -1.50 4.74 0.05 3.41 2.01 -1.26 -5.10 115.64 118.00 1nyn s THR 14 Ca 0.00 -0.32 0.09 0.00 0.31 0.00 0.00 61.69 61.77 1nyn s THR 14 Cb 0.00 -3.75 -0.03 0.00 0.01 0.00 0.00 72.50 68.73 1nyn s THR 14 CO 0.00 -0.56 -0.24 -0.62 -0.69 0.00 0.00 174.62 172.50 1nyn s ASP 15 N -4.10 2.92 0.03 3.53 2.15 -1.26 -1.40 116.67 118.53 1nyn s ASP 15 Ca 0.44 -0.58 0.01 0.00 0.43 0.00 0.00 52.55 52.85 1nyn s ASP 15 Cb -0.10 -0.25 -0.02 0.00 -0.30 0.00 0.00 42.92 42.25 1nyn s ASP 15 CO 0.39 0.22 -0.05 -0.76 -0.17 0.00 0.00 175.17 174.79 1nyn s LEU 16 N -1.28 2.21 0.18 -1.34 1.43 -1.12 -4.66 118.68 114.12 1nyn s LEU 16 Ca 0.10 -0.46 0.11 0.00 -1.03 0.00 0.00 54.13 52.85 1nyn s LEU 16 Cb -0.10 -0.05 -0.04 0.00 0.03 0.00 0.00 46.19 46.03 1nyn s LEU 16 CO 0.02 -0.21 -0.24 -0.63 0.23 0.00 0.00 176.35 175.52 1nyn s ILE 17 N -1.23 2.27 0.28 -0.59 1.01 0.25 -2.47 121.20 120.73 1nyn s ILE 17 Ca -0.11 -1.98 0.03 0.00 0.00 0.00 0.00 60.65 58.58 1nyn s ILE 17 Cb -0.09 -2.07 -0.04 0.00 0.01 0.00 0.00 42.46 40.27 1nyn s ILE 17 CO -0.00 -0.11 0.16 0.68 0.00 0.00 0.00 174.94 175.66 1nyn s VAL 18 N -1.63 0.25 0.16 2.92 -7.23 -0.84 -2.84 120.40 111.18 1nyn s VAL 18 Ca 0.19 -2.00 0.07 0.00 -1.81 0.00 0.00 61.98 58.43 1nyn s VAL 18 Cb -0.08 -2.52 -0.04 0.00 0.56 0.00 0.00 36.38 34.30 1nyn s VAL 18 CO 0.09 0.00 0.02 -0.36 -0.31 0.00 0.00 175.10 174.54 1nyn s PHE 19 N -3.72 2.91 -0.21 2.82 0.40 -1.26 -1.75 117.98 117.17 1nyn s PHE 19 Ca 0.37 -0.11 -0.11 0.00 -0.60 0.00 0.00 56.93 56.49 1nyn s PHE 19 Cb 0.05 -1.42 0.07 0.00 0.51 0.00 0.00 43.02 42.24 1nyn s PHE 19 CO 0.17 0.51 0.49 0.00 0.70 0.00 0.00 175.22 177.09 1nyn s ALA 20 N -1.67 -1.31 0.00 5.36 0.00 0.33 -4.59 121.76 119.88 1nyn s ALA 20 Ca 0.28 1.78 0.00 0.00 0.00 0.00 0.00 51.96 54.02 1nyn s ALA 20 Cb -0.10 -1.14 0.00 0.00 0.00 0.00 0.00 23.12 21.88 1nyn s ALA 20 CO 0.19 -0.39 0.00 0.00 0.00 0.00 0.00 175.76 175.56 1nyn n ALA 21 N 4.48 0.00 -2.54 0.00 0.00 -0.51 -1.03 120.51 120.91 1nyn n ALA 21 Ca -0.20 0.00 -0.25 0.00 0.00 0.00 0.00 53.44 52.99 1nyn n ALA 21 Cb 0.55 0.00 -0.09 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 -2.63 4.05 0.29 0.00 0.01 -1.25 -3.03 113.70 111.14 1nyn s SER 22 Ca 0.00 -1.10 0.13 0.00 1.31 0.00 0.00 55.95 56.29 1nyn s SER 22 Cb 0.00 -0.46 0.37 0.00 0.21 0.00 0.00 66.02 66.14 1nyn s SER 22 CO 0.00 -0.28 1.60 -0.08 0.41 0.00 0.00 173.24 174.88 1nyn h GLU 23 N 1.82 0.00 0.64 12.44 4.81 -1.88 -2.95 114.58 129.46 1nyn h GLU 23 Ca -0.43 0.00 -0.03 0.00 -0.13 0.00 0.00 59.36 58.77 1nyn h GLU 23 Cb 1.25 0.00 0.01 0.00 0.63 0.00 0.00 28.75 30.64 1nyn h GLU 23 CO 0.70 0.57 -0.31 1.49 -0.73 0.00 0.00 179.01 180.73 1nyn h GLU 24 N 0.00 -0.83 -0.02 1.92 4.57 -2.00 -1.69 114.58 116.53 1nyn h GLU 24 Ca -0.01 0.06 0.02 0.00 -1.18 0.00 0.00 59.36 58.25 1nyn h GLU 24 Cb 1.14 0.19 -0.03 0.00 -0.16 0.00 0.00 28.75 29.89 1nyn h GLU 24 CO 0.07 -0.53 -0.11 -0.07 -1.18 0.00 0.00 179.01 177.20 1nyn h LEU 25 N -0.93 -0.31 -0.81 1.64 3.38 -1.99 -1.52 115.31 114.78 1nyn h LEU 25 Ca -0.09 0.05 0.20 0.00 0.09 0.00 0.00 57.88 58.13 1nyn h LEU 25 Cb 0.68 0.14 -0.13 0.00 0.09 0.00 0.00 40.66 41.44 1nyn h LEU 25 CO 0.14 -0.15 0.14 0.58 0.09 0.00 0.00 178.44 179.24 1nyn h VAL 26 N -0.17 0.36 -0.54 1.22 2.07 -1.44 0.39 116.25 118.14 1nyn h VAL 26 Ca 0.05 -0.06 -0.02 0.00 0.82 0.00 0.00 66.70 67.48 1nyn h VAL 26 Cb 0.23 0.16 -0.02 0.00 -1.52 0.00 0.00 31.29 30.14 1nyn h VAL 26 CO -0.12 0.03 0.25 -0.78 0.02 0.00 0.00 177.57 176.97 1nyn h ASP 27 N 0.18 0.72 0.06 0.57 1.82 -0.48 -1.60 116.42 117.69 1nyn h ASP 27 Ca 0.48 -0.14 -0.01 0.00 -0.39 0.00 0.00 57.03 56.97 1nyn h ASP 27 Cb 0.90 -0.19 -0.00 0.00 0.68 0.00 0.00 39.33 40.72 1nyn h ASP 27 CO -0.64 0.66 -0.04 -0.33 -1.61 0.00 0.00 179.24 177.29 1nyn h GLU 28 N 0.73 0.00 -0.23 0.28 5.08 0.64 -1.37 114.58 119.71 1nyn h GLU 28 Ca 0.18 0.00 -0.15 0.00 -1.00 0.00 0.00 59.36 58.39 1nyn h GLU 28 Cb 0.14 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.39 1nyn h GLU 28 CO -0.02 0.04 -0.47 -0.92 -1.00 0.00 0.00 179.01 176.63 1nyn h TYR 29 N 0.00 0.74 -0.10 4.33 5.03 0.02 0.35 116.97 127.35 1nyn h TYR 29 Ca -0.00 -0.24 -0.00 0.00 2.58 0.00 0.00 58.73 61.07 1nyn h TYR 29 Cb 0.08 -0.15 -0.00 0.00 1.55 0.00 0.00 36.73 38.20 1nyn h TYR 29 CO 0.00 0.97 0.04 -0.07 -1.32 0.00 0.00 178.16 177.78 1nyn h LEU 30 N 0.48 0.13 -0.33 2.82 3.38 -0.94 0.82 115.31 121.68 1nyn h LEU 30 Ca 0.03 -0.14 -0.10 0.00 0.09 0.00 0.00 57.88 57.76 1nyn h LEU 30 Cb 1.01 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.71 1nyn h LEU 30 CO 0.09 0.24 -0.45 0.11 0.09 0.00 0.00 178.44 178.52 1nyn h LYS 31 N 0.01 0.00 -2.04 1.13 1.57 -1.48 -3.36 116.57 112.40 1nyn h LYS 31 Ca 0.03 0.00 -0.56 0.00 -1.87 0.00 0.00 60.65 58.26 1nyn h LYS 31 Cb 0.15 0.00 -0.40 0.00 0.08 0.00 0.00 32.23 32.06 1nyn h LYS 31 CO -0.00 0.45 -1.03 -1.71 -0.57 0.00 0.00 179.45 176.59 1nyn n ASN 32 N -3.31 0.98 -4.79 0.86 4.05 0.12 -5.11 115.26 108.06 1nyn n ASN 32 Ca 0.01 -2.89 -0.33 0.00 0.45 0.00 0.00 54.58 51.82 1nyn n ASN 32 Cb 0.66 -0.64 0.02 0.00 1.23 0.00 0.00 39.78 41.04 1nyn n ASN 32 CO 0.00 0.00 0.00 -2.16 -3.05 0.00 0.00 177.26 172.05 1nyn s PRO 33 N -1.65 3.22 0.00 1.20 0.04 0.28 -4.37 135.00 133.73 1nyn s PRO 33 Ca 0.37 1.28 0.00 0.00 0.04 0.00 0.00 61.00 62.69 1nyn s PRO 33 Cb 0.20 -2.01 0.00 0.00 0.04 0.00 0.00 34.50 32.72 1nyn s PRO 33 CO -0.09 -0.90 0.00 0.45 0.04 0.00 0.00 177.00 176.50 1nyn n SER 34 N -2.02 0.00 0.00 6.66 2.88 -1.26 -5.00 113.62 114.88 1nyn n SER 34 Ca 0.09 0.00 -0.11 0.00 -1.33 0.00 0.00 58.87 57.52 1nyn n SER 34 Cb 0.52 0.00 -0.14 0.00 -0.75 0.00 0.00 64.21 63.85 1nyn n SER 34 CO 0.00 0.00 0.00 -0.29 -1.23 0.00 0.00 175.04 173.52 1nyn h ILE 35 N 0.08 0.96 0.00 2.46 6.09 -2.00 -3.08 117.51 122.02 1nyn h ILE 35 Ca 0.00 -2.76 0.00 0.00 -1.37 0.00 0.00 64.86 60.73 1nyn h ILE 35 Cb 0.00 2.52 0.00 0.00 0.47 0.00 0.00 36.82 39.81 1nyn h ILE 35 CO 0.00 0.64 0.00 0.61 -3.07 0.00 0.00 178.15 176.33 1nyn n GLY 36 N 1.60 -1.43 0.00 8.18 0.00 -1.26 -2.58 105.19 109.70 1nyn n GLY 36 Ca -0.17 0.03 0.09 0.00 0.00 0.00 0.00 46.02 45.98 1nyn n GLY 36 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1nyn n LYS 37 N -2.20 0.66 -0.03 1.61 4.81 -1.24 -4.43 118.16 117.34 1nyn n LYS 37 Ca 0.04 -0.04 -0.13 0.00 -0.87 0.00 0.00 58.31 57.30 1nyn n LYS 37 Cb 0.30 -1.42 -0.09 0.00 0.02 0.00 0.00 35.03 33.84 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 0.13 -0.75 3.14 5.85 -1.40 -2.60 115.31 119.68 1nyn h LEU 38 Ca 0.00 -0.53 0.16 0.00 0.84 0.00 0.00 57.88 58.36 1nyn h LEU 38 Cb 0.56 -0.04 -0.11 0.00 0.37 0.00 0.00 40.66 41.44 1nyn h LEU 38 CO 0.00 0.63 0.21 0.28 -0.34 0.00 0.00 178.44 179.21 1nyn h SER 39 N -0.37 0.06 0.66 1.25 0.02 -1.77 0.10 113.55 113.49 1nyn h SER 39 Ca 0.00 0.15 -0.03 0.00 -0.84 0.00 0.00 61.79 61.07 1nyn h SER 39 Cb 0.60 0.18 0.01 0.00 0.14 0.00 0.00 62.40 63.33 1nyn h SER 39 CO 0.01 -0.03 -0.32 -0.33 -1.14 0.00 0.00 176.83 175.03 1nyn h GLU 40 N 0.29 -0.85 -0.01 3.45 4.39 -1.77 -3.17 114.58 116.91 1nyn h GLU 40 Ca 0.43 0.06 0.03 0.00 0.34 0.00 0.00 59.36 60.21 1nyn h GLU 40 Cb 0.74 0.19 -0.06 0.00 -0.10 0.00 0.00 28.75 29.52 1nyn h GLU 40 CO -0.51 -0.54 -0.50 0.28 -1.16 0.00 0.00 179.01 176.58 1nyn h VAL 41 N -0.96 0.04 -3.24 3.13 2.07 -0.90 -3.38 116.25 113.01 1nyn h VAL 41 Ca -0.09 0.00 -0.55 0.00 0.82 0.00 0.00 66.70 66.88 1nyn h VAL 41 Cb 0.70 0.04 -0.03 0.00 -1.52 0.00 0.00 31.29 30.49 1nyn h VAL 41 CO 0.15 0.00 0.55 -0.69 0.02 0.00 0.00 177.57 177.60 1nyn s VAL 42 N -5.79 4.60 -2.77 2.57 1.01 0.27 -1.42 120.40 118.86 1nyn s VAL 42 Ca -0.16 1.87 0.25 0.00 0.00 0.00 0.00 61.98 63.94 1nyn s VAL 42 Cb 0.07 -4.20 0.26 0.00 0.00 0.00 0.00 36.38 32.51 1nyn s VAL 42 CO 0.62 0.05 1.37 1.21 0.00 0.00 0.00 175.10 178.35 1nyn n GLU 43 N 4.69 2.04 -3.58 2.72 4.07 -1.26 -4.66 120.64 124.67 1nyn n GLU 43 Ca 0.09 -1.59 -0.01 0.00 -0.06 0.00 0.00 57.16 55.59 1nyn n GLU 43 Cb 0.48 -1.47 -0.05 0.00 -0.06 0.00 0.00 31.44 30.35 1nyn n GLU 43 CO 0.00 0.00 0.00 -1.17 -0.06 0.00 0.00 177.13 175.90 1nyn s LEU 44 N -2.05 -0.90 -1.17 4.31 2.96 -1.26 -5.07 118.68 115.50 1nyn s LEU 44 Ca 0.30 1.28 -0.21 0.00 -0.22 0.00 0.00 54.13 55.27 1nyn s LEU 44 Cb 0.20 2.08 0.02 0.00 0.50 0.00 0.00 46.19 49.00 1nyn s LEU 44 CO 0.34 -0.18 1.72 -0.36 -1.32 0.00 0.00 176.35 176.54 1nyn s PHE 45 N 2.47 2.47 0.00 5.38 0.08 -1.26 -4.85 117.98 122.27 1nyn s PHE 45 Ca -0.06 -0.82 -0.28 0.00 0.12 0.00 0.00 56.93 55.89 1nyn s PHE 45 Cb -0.09 -4.54 0.09 0.00 -0.57 0.00 0.00 43.02 37.91 1nyn s PHE 45 CO -0.18 -1.73 0.76 -2.00 -0.10 0.00 0.00 175.22 171.97 1nyn s GLU 46 N 5.11 0.99 -0.07 0.44 2.56 -1.26 -5.15 118.70 121.32 1nyn s GLU 46 Ca 0.56 -0.10 0.04 0.00 0.00 0.00 0.00 54.97 55.48 1nyn s GLU 46 Cb 0.01 0.46 -0.00 0.00 2.00 0.00 0.00 34.13 36.60 1nyn s GLU 46 CO 0.03 -0.38 -0.20 0.08 -0.56 0.00 0.00 175.26 174.23 1nyn s VAL 47 N -2.35 1.71 0.20 3.70 1.01 -1.26 -4.73 120.40 118.68 1nyn s VAL 47 Ca -0.02 -0.85 0.11 0.00 0.00 0.00 0.00 61.98 61.22 1nyn s VAL 47 Cb -0.01 -1.48 -0.04 0.00 0.00 0.00 0.00 36.38 34.85 1nyn s VAL 47 CO -0.02 0.48 -0.21 -0.36 0.00 0.00 0.00 175.10 174.99 1nyn s PHE 48 N 0.18 2.37 0.15 5.22 0.40 -1.13 -3.90 117.98 121.26 1nyn s PHE 48 Ca -0.10 -0.33 -0.07 0.00 -0.60 0.00 0.00 56.93 55.83 1nyn s PHE 48 Cb -0.15 -1.16 -0.01 0.00 0.51 0.00 0.00 43.02 42.21 1nyn s PHE 48 CO 0.05 0.52 0.23 -0.08 0.70 0.00 0.00 175.22 176.64 1nyn s THR 49 N -1.74 0.08 0.83 0.64 -1.32 0.29 -0.58 115.64 113.84 1nyn s THR 49 Ca 0.22 -1.46 -0.11 0.00 -1.21 0.00 0.00 61.69 59.13 1nyn s THR 49 Cb -0.08 -1.81 0.09 0.00 -1.51 0.00 0.00 72.50 69.19 1nyn s THR 49 CO 0.11 -0.38 1.09 -2.16 -2.21 0.00 0.00 174.62 171.08 1nyn s PRO 50 N -3.97 1.81 0.46 7.08 0.04 -1.26 0.11 135.00 139.27 1nyn s PRO 50 Ca 0.17 0.74 0.06 0.00 0.04 0.00 0.00 61.00 62.01 1nyn s PRO 50 Cb 0.04 -1.88 -0.02 0.00 0.04 0.00 0.00 34.50 32.68 1nyn s PRO 50 CO -0.01 -1.83 0.24 -0.65 0.04 0.00 0.00 177.00 174.78 1nyn s GLN 51 N -5.06 2.26 0.00 4.56 -1.52 -1.26 -4.57 119.66 114.07 1nyn s GLN 51 Ca 0.62 -1.91 0.00 0.00 -1.95 0.00 0.00 55.36 52.11 1nyn s GLN 51 Cb -0.16 -2.01 0.00 0.00 -0.22 0.00 0.00 33.01 30.63 1nyn s GLN 51 CO 0.55 -0.28 0.00 -3.47 -0.25 0.00 0.00 175.29 171.84 1nyn n ASP 52 N -1.41 0.00 0.00 5.90 2.03 -1.26 -4.59 116.55 117.22 1nyn n ASP 52 Ca -0.03 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.28 1nyn n ASP 52 Cb 0.64 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 41.04 1nyn n ASP 52 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1nyn n GLY 53 N 0.00 3.93 2.82 0.27 0.00 -1.26 -5.05 105.19 105.90 1nyn n GLY 53 Ca 0.00 -0.33 -0.47 0.00 0.00 0.00 0.00 46.02 45.22 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 0.00 -3.65 1.61 5.12 -1.26 -4.81 116.66 113.67 1nyn n ARG 54 Ca 0.00 0.00 -0.01 0.00 -1.93 0.00 0.00 57.85 55.91 1nyn n ARG 54 Cb 0.00 -1.27 -0.07 0.00 -1.16 0.00 0.00 32.46 29.96 1nyn n ARG 54 CO 0.00 0.00 0.00 0.20 -1.93 0.00 0.00 177.63 175.90 1nyn s GLY 55 N 5.76 0.42 -0.41 -0.13 0.00 -1.26 -5.03 107.32 106.66 1nyn s GLY 55 Ca 1.05 3.59 -0.01 0.00 0.00 0.00 0.00 44.72 49.36 1nyn s GLY 55 CO 0.52 2.23 0.96 0.00 0.00 0.00 0.00 173.10 176.82 1nyn n ALA 56 N 2.16 -3.00 -2.77 3.20 0.00 -1.26 -4.72 120.51 114.12 1nyn n ALA 56 Ca -0.13 -0.40 0.00 0.00 0.00 0.00 0.00 53.44 52.91 1nyn n ALA 56 Cb 0.57 -2.56 0.00 0.00 0.00 0.00 0.00 19.45 17.45 1nyn n ALA 56 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1nyn n GLU 57 N 2.64 0.00 0.10 0.00 1.02 -1.26 -5.01 120.64 118.13 1nyn n GLU 57 Ca 0.13 0.00 -0.00 0.00 -0.02 0.00 0.00 57.16 57.27 1nyn n GLU 57 Cb 0.62 0.00 -0.03 0.00 -0.02 0.00 0.00 31.44 32.01 1nyn n GLU 57 CO 0.00 0.00 0.00 0.78 1.18 0.00 0.00 177.13 179.09 1nyn h GLY 58 N 0.00 0.00 -7.18 0.62 0.00 -2.05 -3.41 103.07 91.04 1nyn h GLY 58 Ca 0.00 0.00 -0.61 0.00 0.00 0.00 0.00 47.33 46.72 1nyn h GLY 58 CO 0.00 0.00 0.62 1.85 0.00 0.00 0.00 176.54 179.01 1nyn s GLU 59 N -2.89 3.24 0.01 4.80 2.56 -1.26 -5.00 118.70 120.16 1nyn s GLU 59 Ca 0.02 -0.46 0.00 0.00 0.00 0.00 0.00 54.97 54.53 1nyn s GLU 59 Cb 0.08 -4.13 0.00 0.00 2.00 0.00 0.00 34.13 32.08 1nyn s GLU 59 CO 0.77 -1.69 0.00 1.28 -0.56 0.00 0.00 175.26 175.07 1nyn n LEU 60 N 7.80 0.00 -4.15 2.70 4.77 -1.26 -4.73 117.00 122.13 1nyn n LEU 60 Ca -0.00 -0.05 -0.10 0.00 -0.03 0.00 0.00 56.01 55.82 1nyn n LEU 60 Cb 0.47 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.46 1nyn n LEU 60 CO 0.65 -0.12 -0.38 -0.83 -1.33 0.00 0.00 177.39 175.38 1nyn s GLY 61 N -1.27 0.71 0.18 -0.72 0.00 0.31 -4.82 107.32 101.71 1nyn s GLY 61 Ca 0.00 -1.29 0.03 0.00 0.00 0.00 0.00 44.72 43.46 1nyn s GLY 61 CO 0.00 -1.40 0.31 0.00 0.00 0.00 0.00 173.10 172.02 1nyn s ALA 62 N -3.52 3.95 0.44 3.20 0.00 -1.26 -0.55 121.76 124.02 1nyn s ALA 62 Ca 0.10 -1.07 0.08 0.00 0.00 0.00 0.00 51.96 51.06 1nyn s ALA 62 Cb 0.05 -1.78 -0.00 0.00 0.00 0.00 0.00 23.12 21.38 1nyn s ALA 62 CO -0.05 0.45 0.44 0.00 0.00 0.00 0.00 175.76 176.60 1nyn s ALA 63 N -1.82 4.23 0.13 0.00 0.00 -1.25 -4.83 121.76 118.22 1nyn s ALA 63 Ca 0.35 -1.81 0.10 0.00 0.00 0.00 0.00 51.96 50.60 1nyn s ALA 63 Cb -0.10 -1.11 -0.04 0.00 0.00 0.00 0.00 23.12 21.86 1nyn s ALA 63 CO 0.29 -0.31 -0.24 -1.54 0.00 0.00 0.00 175.76 173.95 1nyn s SER 64 N -4.22 3.04 0.55 0.00 1.04 -1.26 -4.98 113.70 107.86 1nyn s SER 64 Ca 0.49 -0.74 0.46 0.00 0.48 0.00 0.00 55.95 56.64 1nyn s SER 64 Cb -0.04 -0.19 1.68 0.00 0.10 0.00 0.00 66.02 67.57 1nyn s SER 64 CO 0.29 0.13 1.63 0.07 0.98 0.00 0.00 173.24 176.33 1nyn h LYS 65 N 3.87 0.01 0.28 4.02 2.10 -2.00 0.15 116.57 124.99 1nyn h LYS 65 Ca -0.49 -0.00 -0.01 0.00 -2.00 0.00 0.00 60.65 58.15 1nyn h LYS 65 Cb 1.18 -0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.51 1nyn h LYS 65 CO 0.40 0.00 -0.13 0.00 -2.00 0.00 0.00 179.45 177.72 1nyn h ALA 66 N 1.14 -0.37 -0.91 0.07 0.00 -1.97 -1.35 119.26 115.86 1nyn h ALA 66 Ca 0.86 -0.13 0.20 0.00 0.00 0.00 0.00 54.91 55.84 1nyn h ALA 66 Cb 3.39 0.14 -0.17 0.00 0.00 0.00 0.00 17.79 21.15 1nyn h ALA 66 CO -0.04 -0.37 -0.16 0.94 0.00 0.00 0.00 179.25 179.62 1nyn n GLN 67 N -5.02 -0.08 0.04 0.00 -0.06 0.50 0.03 117.38 112.79 1nyn n GLN 67 Ca -0.06 1.40 -0.13 0.00 -2.00 0.00 0.00 57.00 56.22 1nyn n GLN 67 Cb 0.20 -2.13 -0.09 0.00 -4.06 0.00 0.00 30.24 24.16 1nyn n GLN 67 CO 0.00 0.00 0.00 0.28 -0.20 0.00 0.00 177.06 177.14 1nyn h VAL 68 N 0.00 1.12 -0.96 1.69 2.07 -1.54 -2.86 116.25 115.77 1nyn h VAL 68 Ca 0.47 -0.98 0.28 0.00 0.82 0.00 0.00 66.70 67.29 1nyn h VAL 68 Cb 0.79 1.72 -0.04 0.00 -1.52 0.00 0.00 31.29 32.25 1nyn h VAL 68 CO -0.91 0.23 0.75 -0.08 0.02 0.00 0.00 177.57 177.57 1nyn h GLU 69 N -0.60 0.00 0.00 1.57 4.81 0.81 1.50 114.58 122.66 1nyn h GLU 69 Ca -0.01 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.22 1nyn h GLU 69 Cb 0.48 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.86 1nyn h GLU 69 CO 0.02 0.00 0.00 -0.97 -0.73 0.00 0.00 179.01 177.33 1nyn h ASN 70 N 0.00 0.00 0.07 1.04 -1.24 -0.31 4.20 115.58 119.34 1nyn h ASN 70 Ca 0.46 0.00 -0.25 0.00 0.71 0.00 0.00 56.30 57.21 1nyn h ASN 70 Cb 1.94 0.00 -0.05 0.00 0.73 0.00 0.00 38.32 40.94 1nyn h ASN 70 CO -0.00 0.00 -2.19 1.21 -1.29 0.00 0.00 177.43 175.16 1nyn n GLU 71 N -2.97 0.67 -0.00 6.67 0.00 0.50 -4.44 120.64 121.09 1nyn n GLU 71 Ca 0.01 -0.03 0.03 0.00 0.00 0.00 0.00 57.16 57.17 1nyn n GLU 71 Cb 0.29 -1.55 -0.04 0.00 0.00 0.00 0.00 31.44 30.13 1nyn n GLU 71 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.13 178.32 1nyn n PHE 72 N -2.64 0.00 -0.57 4.31 3.72 -0.54 -4.93 117.46 116.81 1nyn n PHE 72 Ca -0.23 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.17 1nyn n PHE 72 Cb 0.98 -0.02 0.00 0.00 -0.94 0.00 0.00 39.48 39.50 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 1.26 0.11 1.83 1.37 0.00 1.38 -4.34 105.19 106.80 1nyn n GLY 73 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.03 1nyn n GLY 73 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1nyn n LYS 74 N -1.92 0.00 0.00 1.61 5.02 -1.24 -4.98 118.16 116.65 1nyn n LYS 74 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 1nyn n LYS 74 Cb 0.01 -0.05 0.00 0.00 -0.02 0.00 0.00 35.03 34.97 1nyn n LYS 74 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1nyn n GLY 75 N 1.57 1.54 7.00 0.72 0.00 -1.26 -4.85 105.19 109.91 1nyn n GLY 75 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.00 1nyn n GLY 75 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1nyn n LYS 76 N 0.00 0.00 -1.69 1.61 5.02 -1.26 -4.35 118.16 117.49 1nyn n LYS 76 Ca 0.00 0.00 -0.44 0.00 -2.02 0.00 0.00 58.31 55.85 1nyn n LYS 76 Cb 0.00 0.00 -0.03 0.00 -0.02 0.00 0.00 35.03 34.98 1nyn n LYS 76 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1nyn n LYS 77 N -0.78 2.30 0.14 1.97 5.02 -1.26 -4.81 118.16 120.74 1nyn n LYS 77 Ca 0.00 0.82 0.18 0.00 -2.02 0.00 0.00 58.31 57.29 1nyn n LYS 77 Cb 0.00 -2.56 0.78 0.00 -0.02 0.00 0.00 35.03 33.23 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 3.34 0.50 -0.85 -0.18 6.09 -2.00 -0.49 117.51 123.91 1nyn h ILE 78 Ca -0.45 0.00 0.07 0.00 -1.37 0.00 0.00 64.86 63.11 1nyn h ILE 78 Cb 1.25 0.77 -0.07 0.00 0.47 0.00 0.00 36.82 39.24 1nyn h ILE 78 CO 0.82 0.00 0.51 -0.33 -3.07 0.00 0.00 178.15 176.08 1nyn h GLU 79 N 0.00 0.88 0.29 2.19 5.08 -1.92 -0.92 114.58 120.18 1nyn h GLU 79 Ca 0.14 -0.05 -0.01 0.00 -1.00 0.00 0.00 59.36 58.43 1nyn h GLU 79 Cb 0.74 -0.20 0.00 0.00 0.50 0.00 0.00 28.75 29.79 1nyn h GLU 79 CO -0.00 0.59 -0.14 0.93 -1.00 0.00 0.00 179.01 179.38 1nyn h GLU 80 N 0.91 -0.37 -1.14 2.33 5.08 -1.42 -3.02 114.58 116.95 1nyn h GLU 80 Ca 0.38 0.03 0.40 0.00 -1.00 0.00 0.00 59.36 59.17 1nyn h GLU 80 Cb 0.24 0.09 -0.15 0.00 0.50 0.00 0.00 28.75 29.43 1nyn h GLU 80 CO -0.20 -0.16 0.69 0.28 -1.00 0.00 0.00 179.01 178.62 1nyn h VAL 81 N -1.06 0.15 -0.31 3.13 2.07 -1.40 0.85 116.25 119.68 1nyn h VAL 81 Ca -0.04 -0.05 -0.02 0.00 0.82 0.00 0.00 66.70 67.41 1nyn h VAL 81 Cb 0.39 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 30.15 1nyn h VAL 81 CO 0.07 0.03 0.11 0.40 0.02 0.00 0.00 177.57 178.19 1nyn h ILE 82 N 0.14 1.19 0.23 4.57 2.04 -1.16 -2.72 117.51 121.79 1nyn h ILE 82 Ca 0.80 -0.61 -0.01 0.00 1.00 0.00 0.00 64.86 66.04 1nyn h ILE 82 Cb 2.21 1.02 0.00 0.00 -0.74 0.00 0.00 36.82 39.31 1nyn h ILE 82 CO -0.56 0.21 -0.11 -0.78 0.00 0.00 0.00 178.15 176.91 1nyn h ASP 83 N 0.34 -0.26 -0.95 1.72 1.82 0.81 -2.19 116.42 117.72 1nyn h ASP 83 Ca 0.10 -0.01 0.28 0.00 -0.39 0.00 0.00 57.03 57.01 1nyn h ASP 83 Cb 0.22 0.07 -0.14 0.00 0.68 0.00 0.00 39.33 40.15 1nyn h ASP 83 CO -0.01 -0.16 0.43 -0.07 -1.61 0.00 0.00 179.24 177.83 1nyn h LEU 84 N -0.33 0.32 -0.62 2.28 3.38 -1.19 0.71 115.31 119.85 1nyn h LEU 84 Ca -0.03 0.19 -0.09 0.00 0.09 0.00 0.00 57.88 58.04 1nyn h LEU 84 Cb 0.26 0.18 -0.02 0.00 0.09 0.00 0.00 40.66 41.17 1nyn h LEU 84 CO 0.05 -0.13 0.03 0.40 0.09 0.00 0.00 178.44 178.89 1nyn h ILE 85 N 0.30 1.27 -0.72 1.22 2.04 -1.10 -2.86 117.51 117.65 1nyn h ILE 85 Ca 0.65 -1.11 0.00 0.00 1.00 0.00 0.00 64.86 65.40 1nyn h ILE 85 Cb 1.41 0.76 -0.04 0.00 -0.74 0.00 0.00 36.82 38.22 1nyn h ILE 85 CO -0.62 0.41 0.47 -0.07 0.00 0.00 0.00 178.15 178.34 1nyn h LEU 86 N 0.98 0.84 -0.77 1.44 3.38 0.96 0.16 115.31 122.30 1nyn h LEU 86 Ca 0.18 -0.03 0.01 0.00 0.09 0.00 0.00 57.88 58.13 1nyn h LEU 86 Cb 0.52 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 41.06 1nyn h LEU 86 CO 0.03 0.62 0.76 -0.09 0.09 0.00 0.00 178.44 179.85 1nyn h ARG 87 N 0.98 0.00 0.00 1.13 2.43 -0.98 -3.31 114.38 114.64 1nyn h ARG 87 Ca 0.26 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.43 1nyn h ARG 87 Cb -0.09 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.46 1nyn h ARG 87 CO -0.06 0.00 0.00 0.09 -1.51 0.00 0.00 179.97 178.49 1nyn n ASN 88 N -2.68 0.00 -0.70 -3.80 5.03 -0.40 -5.14 115.26 107.58 1nyn n ASN 88 Ca 0.00 0.00 0.00 0.00 0.87 0.00 0.00 54.58 55.45 1nyn n ASN 88 Cb 0.79 0.00 0.00 0.00 -1.02 0.00 0.00 39.78 39.55 1nyn n ASN 88 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1nyn n GLY 89 N 3.43 -3.94 4.10 7.41 0.00 -0.09 -4.68 105.19 111.42 1nyn n GLY 89 Ca 0.00 -0.73 -0.43 0.00 0.00 0.00 0.00 46.02 44.86 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 0.14 -0.34 -0.03 1.61 4.76 0.12 -4.84 118.16 119.58 1nyn n LYS 90 Ca 0.00 0.02 -0.13 0.00 -2.87 0.00 0.00 58.31 55.34 1nyn n LYS 90 Cb 0.00 -2.39 -0.08 0.00 -1.84 0.00 0.00 35.03 30.72 1nyn n LYS 90 CO 0.00 0.00 0.00 -1.00 -1.37 0.00 0.00 177.40 175.03 1nyn h PRO 91 N -2.23 0.14 -0.64 1.97 0.13 -1.83 -3.46 132.00 126.08 1nyn h PRO 91 Ca -0.67 -0.06 -0.09 0.00 -0.87 0.00 0.00 66.00 64.31 1nyn h PRO 91 Cb 1.32 -0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.41 1nyn h PRO 91 CO 0.51 0.52 -0.08 0.09 -0.23 0.00 0.00 178.00 178.81 1nyn n ASN 92 N -4.78 -2.95 -1.56 1.44 4.13 -1.26 -4.69 115.26 105.59 1nyn n ASN 92 Ca -0.07 0.11 0.04 0.00 1.68 0.00 0.00 54.58 56.34 1nyn n ASN 92 Cb 0.25 -2.33 0.30 0.00 -1.54 0.00 0.00 39.78 36.46 1nyn n ASN 92 CO 0.00 0.00 0.00 -1.20 0.28 0.00 0.00 177.26 176.34 1nyn n SER 93 N 0.46 4.50 -4.93 6.41 7.64 -1.26 -4.92 113.62 121.52 1nyn n SER 93 Ca -0.05 -2.71 -0.27 0.00 1.01 0.00 0.00 58.87 56.85 1nyn n SER 93 Cb 0.30 -0.64 -0.03 0.00 -1.01 0.00 0.00 64.21 62.82 1nyn n SER 93 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 1nyn s THR 94 N -2.32 5.20 0.00 0.44 -4.23 -1.26 -5.10 115.64 108.36 1nyn s THR 94 Ca 0.41 -0.35 0.00 0.00 -1.18 0.00 0.00 61.69 60.57 1nyn s THR 94 Cb 0.31 -3.73 0.00 0.00 1.34 0.00 0.00 72.50 70.42 1nyn s THR 94 CO 0.12 -0.18 0.00 0.35 -0.54 0.00 0.00 174.62 174.36 1nyn n THR 95 N -0.69 0.00 -1.13 3.99 -2.24 -1.26 -5.07 114.28 107.89 1nyn n THR 95 Ca -0.05 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.73 1nyn n THR 95 Cb 0.54 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.77 1nyn n THR 95 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 1nyn n SER 96 N -2.33 0.00 -3.60 3.42 2.88 -1.26 -5.04 113.62 107.69 1nyn n SER 96 Ca 0.00 -1.00 -0.24 0.00 -1.33 0.00 0.00 58.87 56.30 1nyn n SER 96 Cb 0.00 0.00 -0.17 0.00 -0.75 0.00 0.00 64.21 63.29 1nyn n SER 96 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 1nyn s SER 97 N 0.00 2.10 -0.28 -3.46 0.01 -1.26 -5.09 113.70 105.71 1nyn s SER 97 Ca 0.00 -0.49 -0.03 0.00 1.31 0.00 0.00 55.95 56.74 1nyn s SER 97 Cb 0.00 -0.16 0.11 0.00 0.21 0.00 0.00 66.02 66.19 1nyn s SER 97 CO 0.00 -0.34 0.20 -0.22 0.41 0.00 0.00 173.24 173.29 1nyn s LEU 98 N 2.17 0.20 -0.26 2.44 0.20 -1.26 -5.10 118.68 117.07 1nyn s LEU 98 Ca 0.03 -1.03 0.02 0.00 0.69 0.00 0.00 54.13 53.84 1nyn s LEU 98 Cb -0.16 0.02 0.06 0.00 -0.43 0.00 0.00 46.19 45.69 1nyn s LEU 98 CO -0.09 -0.41 -0.06 -0.54 -0.29 0.00 0.00 176.35 174.96 1nyn s LYS 99 N 2.21 1.79 0.48 1.98 -0.14 -1.26 -5.11 119.74 119.69 1nyn s LYS 99 Ca 0.09 -1.19 0.06 0.00 -1.36 0.00 0.00 55.97 53.56 1nyn s LYS 99 Cb -0.15 -2.73 -0.01 0.00 -1.68 0.00 0.00 37.83 33.26 1nyn s LYS 99 CO -0.34 -0.63 0.25 0.95 -0.76 0.00 0.00 175.35 174.82 1nyn s THR 100 N 1.26 1.93 -1.34 2.17 -4.23 -1.26 -5.02 115.64 109.15 1nyn s THR 100 Ca -0.05 -1.64 -0.16 0.00 -1.18 0.00 0.00 61.69 58.67 1nyn s THR 100 Cb -0.19 -2.57 0.08 0.00 1.34 0.00 0.00 72.50 71.16 1nyn s THR 100 CO -0.07 0.00 1.86 0.29 -0.54 0.00 0.00 174.62 176.17 1nyn n LYS 101 N -1.46 3.14 -0.25 3.99 4.76 -1.26 -4.82 118.16 122.26 1nyn n LYS 101 Ca -0.04 -3.16 -0.03 0.00 -2.87 0.00 0.00 58.31 52.21 1nyn n LYS 101 Cb 0.65 -3.35 -0.04 0.00 -1.84 0.00 0.00 35.03 30.45 1nyn n LYS 101 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1nyn n GLY 102 N 4.69 1.55 1.01 0.72 0.00 -1.26 -3.89 105.19 108.01 1nyn n GLY 102 Ca 0.48 -0.30 0.08 0.00 0.00 0.00 0.00 46.02 46.28 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 2.97 3.38 3.07 -0.02 0.00 -1.26 -4.84 105.19 108.49 1nyn n GLY 103 Ca 0.11 -0.81 -0.34 0.00 0.00 0.00 0.00 46.02 44.98 1nyn n GLY 103 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1nyn s ASN 104 N -1.41 5.03 -0.53 1.61 4.22 -1.25 -5.05 114.94 117.55 1nyn s ASN 104 Ca 0.39 -2.31 -0.16 0.00 -2.14 0.00 0.00 52.86 48.64 1nyn s ASN 104 Cb 0.28 -1.76 0.12 0.00 1.28 0.00 0.00 41.25 41.17 1nyn s ASN 104 CO 0.14 -0.44 0.49 0.00 -2.04 0.00 0.00 177.10 175.26 1nyn s ALA 105 N 0.72 3.63 0.24 3.54 0.00 -1.26 -5.05 121.76 123.59 1nyn s ALA 105 Ca 0.11 -2.48 0.09 0.00 0.00 0.00 0.00 51.96 49.68 1nyn s ALA 105 Cb -0.22 -3.25 -0.04 0.00 0.00 0.00 0.00 23.12 19.61 1nyn s ALA 105 CO -0.05 -2.00 -0.00 0.20 0.00 0.00 0.00 175.76 173.91 1nyn s GLY 106 N 3.48 1.66 -0.59 0.00 0.00 -1.26 -5.08 107.32 105.53 1nyn s GLY 106 Ca 0.03 -1.58 -0.11 0.00 0.00 0.00 0.00 44.72 43.06 1nyn s GLY 106 CO 0.04 -1.64 0.50 -1.59 0.00 0.00 0.00 173.10 170.41 1nyn s THR 107 N -2.17 4.75 0.16 0.90 2.01 -1.26 -4.94 115.64 115.09 1nyn s THR 107 Ca 0.30 -2.01 -0.21 0.00 0.31 0.00 0.00 61.69 60.09 1nyn s THR 107 Cb -0.07 -4.05 0.06 0.00 0.01 0.00 0.00 72.50 68.45 1nyn s THR 107 CO 0.19 -0.87 1.63 0.11 -0.69 0.00 0.00 174.62 174.99 1nyn h LYS 108 N 8.25 -0.19 -3.09 4.92 1.57 -2.03 -3.44 116.57 122.57 1nyn h LYS 108 Ca -0.14 0.01 -0.07 0.00 -1.87 0.00 0.00 60.65 58.58 1nyn h LYS 108 Cb 1.06 0.04 -0.16 0.00 0.08 0.00 0.00 32.23 33.25 1nyn h LYS 108 CO 0.87 -0.13 -0.09 0.00 -0.57 0.00 0.00 179.45 179.53 1nyn s ALA 109 N -6.10 -1.01 0.26 3.86 0.00 -1.26 -5.03 121.76 112.48 1nyn s ALA 109 Ca -0.15 0.26 -0.02 0.00 0.00 0.00 0.00 51.96 52.05 1nyn s ALA 109 Cb 0.13 0.41 0.42 0.00 0.00 0.00 0.00 23.12 24.08 1nyn s ALA 109 CO 0.69 -0.49 1.87 1.88 0.00 0.00 0.00 175.76 179.70 1nyn h TYR 110 N 2.88 1.15 -0.03 0.00 0.05 -2.04 -3.55 116.97 115.43 1nyn h TYR 110 Ca -0.32 0.03 0.00 0.00 0.05 0.00 0.00 58.73 58.49 1nyn h TYR 110 Cb 1.22 -0.37 0.00 0.00 1.01 0.00 0.00 36.73 38.58 1nyn h TYR 110 CO 0.39 0.57 0.00 0.09 -1.05 0.00 0.00 178.16 178.16