#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1s28 n ALA 2 N 0.00 3.55 0.00 4.61 0.00 -1.26 -2.92 120.51 124.49 1s28 n ALA 2 Ca 0.00 -0.55 0.00 0.00 0.00 0.00 0.00 53.44 52.89 1s28 n ALA 2 Cb 0.00 -1.10 0.00 0.00 0.00 0.00 0.00 19.45 18.35 1s28 n ALA 2 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 1s28 n LYS 4 N 0.53 0.00 -0.17 0.00 3.00 -1.26 -1.25 118.16 119.01 1s28 n LYS 4 Ca 0.11 0.00 0.19 0.00 -0.00 0.00 0.00 58.31 58.61 1s28 n LYS 4 Cb 0.64 0.00 0.57 0.00 0.00 0.00 0.00 35.03 36.24 1s28 n LYS 4 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.40 176.49 1s28 h ASN 5 N 0.00 0.28 0.25 3.14 2.35 -1.97 0.46 115.58 120.09 1s28 h ASN 5 Ca 0.00 0.02 -0.01 0.00 -0.55 0.00 0.00 56.30 55.76 1s28 h ASN 5 Cb 0.00 -0.03 0.00 0.00 0.05 0.00 0.00 38.32 38.34 1s28 h ASN 5 CO 0.00 0.13 -0.12 -1.28 -1.65 0.00 0.00 177.43 174.51 1s28 h SER 6 N 0.29 -0.28 -0.68 5.81 0.87 -1.47 -2.14 113.55 115.96 1s28 h SER 6 Ca 0.39 -0.23 0.10 0.00 -1.23 0.00 0.00 61.79 60.82 1s28 h SER 6 Cb 1.10 0.07 -0.04 0.00 -0.44 0.00 0.00 62.40 63.08 1s28 h SER 6 CO -0.10 0.13 0.45 0.15 -0.53 0.00 0.00 176.83 176.92 1s28 h PHE 7 N -0.74 0.56 0.18 2.24 3.57 -1.50 -1.60 116.94 119.65 1s28 h PHE 7 Ca -0.03 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.47 1s28 h PHE 7 Cb 0.49 -0.18 0.00 0.00 2.79 0.00 0.00 35.95 39.05 1s28 h PHE 7 CO 0.04 0.26 -0.09 -0.44 -2.23 0.00 0.00 178.31 175.86 1s28 h ASP 8 N 0.53 -0.20 -0.95 0.41 3.32 -0.79 -2.14 116.42 116.59 1s28 h ASP 8 Ca 0.31 -0.11 0.13 0.00 0.02 0.00 0.00 57.03 57.39 1s28 h ASP 8 Cb 0.52 0.05 -0.08 0.00 0.22 0.00 0.00 39.33 40.04 1s28 h ASP 8 CO -0.10 -0.01 0.60 0.03 -1.72 0.00 0.00 179.24 178.04 1s28 h ARG 9 N -0.39 0.83 0.00 3.56 3.08 -0.63 0.44 114.38 121.27 1s28 h ARG 9 Ca -0.02 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 59.98 1s28 h ARG 9 Cb 0.30 -0.19 0.00 0.00 0.08 0.00 0.00 29.97 30.16 1s28 h ARG 9 CO 0.04 0.55 0.00 -0.11 -1.07 0.00 0.00 179.97 179.38 1s28 n LEU 10 N -4.60 0.00 -0.19 3.04 7.94 -0.80 -0.81 117.00 121.58 1s28 n LEU 10 Ca 0.18 0.95 -0.11 0.00 -1.11 0.00 0.00 56.01 55.92 1s28 n LEU 10 Cb 0.41 -0.45 -0.07 0.00 0.53 0.00 0.00 43.42 43.83 1s28 n LEU 10 CO 0.28 -0.45 0.52 0.40 -1.11 0.00 0.00 177.39 177.03 1s28 h ILE 11 N 0.00 0.03 -0.82 1.96 1.08 -0.70 0.58 117.51 119.64 1s28 h ILE 11 Ca 0.00 0.00 0.19 0.00 -0.39 0.00 0.00 64.86 64.66 1s28 h ILE 11 Cb 0.00 0.03 -0.15 0.00 -3.07 0.00 0.00 36.82 33.63 1s28 h ILE 11 CO 0.00 0.00 -0.06 -0.78 -0.69 0.00 0.00 178.15 176.62 1s28 h ASP 12 N -0.30 -0.52 -0.41 1.72 -0.00 -0.12 0.12 116.42 116.92 1s28 h ASP 12 Ca 0.12 0.23 -0.01 0.00 -0.00 0.00 0.00 57.03 57.37 1s28 h ASP 12 Cb 0.57 0.43 -0.02 0.00 -0.00 0.00 0.00 39.33 40.31 1s28 h ASP 12 CO -0.66 -0.24 0.21 1.23 -0.00 0.00 0.00 179.24 179.77 1s28 h GLY 13 N 0.05 0.63 2.00 -0.78 0.00 0.12 -2.49 103.07 102.60 1s28 h GLY 13 Ca 0.44 -0.30 -0.06 0.00 0.00 0.00 0.00 47.33 47.41 1s28 h GLY 13 CO -0.78 0.29 -0.28 1.41 0.00 0.00 0.00 176.54 177.18 1s28 h LEU 14 N 0.53 0.00 -0.14 3.11 4.07 0.35 -2.54 115.31 120.69 1s28 h LEU 14 Ca 0.14 0.00 -0.01 0.00 0.08 0.00 0.00 57.88 58.09 1s28 h LEU 14 Cb 0.09 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 41.82 1s28 h LEU 14 CO -0.02 0.28 0.05 0.00 -1.08 0.00 0.00 178.44 177.67 1s28 h ALA 15 N 1.72 0.18 0.00 1.53 0.00 -0.53 0.14 119.26 122.30 1s28 h ALA 15 Ca -0.00 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 54.79 1s28 h ALA 15 Cb 0.55 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.28 1s28 h ALA 15 CO 0.04 -0.21 -0.03 0.87 0.00 0.00 0.00 179.25 179.91 1s28 h LYS 16 N 0.06 0.00 -0.01 0.00 1.57 -1.04 0.74 116.57 117.89 1s28 h LYS 16 Ca 0.05 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.83 1s28 h LYS 16 Cb 0.20 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.51 1s28 h LYS 16 CO -0.00 0.03 -0.21 -0.25 -0.57 0.00 0.00 179.45 178.45 1s28 n ASP 17 N -4.11 1.65 -0.25 0.86 8.00 -1.07 -4.57 116.55 117.06 1s28 n ASP 17 Ca -0.03 -1.32 0.00 0.00 0.71 0.00 0.00 54.79 54.15 1s28 n ASP 17 Cb 0.12 0.35 0.00 0.00 -0.02 0.00 0.00 41.12 41.57 1s28 n ASP 17 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 1s28 n TYR 18 N 0.07 0.00 0.00 1.24 4.02 0.46 -5.08 117.16 117.87 1s28 n TYR 18 Ca 0.06 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.95 1s28 n TYR 18 Cb 0.31 0.01 0.00 0.00 -0.02 0.00 0.00 39.34 39.64 1s28 n TYR 18 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1s28 n GLY 19 N 0.00 0.93 3.31 2.72 0.00 0.26 -4.87 105.19 107.53 1s28 n GLY 19 Ca 0.00 0.43 -0.16 0.00 0.00 0.00 0.00 46.02 46.29 1s28 n GLY 19 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1s28 s PRO 21 N 0.00 1.40 0.18 1.61 0.02 -1.26 -4.33 135.00 132.61 1s28 s PRO 21 Ca 0.00 -1.75 0.04 0.00 0.02 0.00 0.00 61.00 59.31 1s28 s PRO 21 Cb 0.00 -0.26 -0.03 0.00 0.02 0.00 0.00 34.50 34.23 1s28 s PRO 21 CO 0.00 -0.29 0.27 0.20 -0.33 0.00 0.00 177.00 176.85 1s28 s GLY 22 N -3.31 1.57 -0.64 0.52 0.00 0.45 -4.80 107.32 101.12 1s28 s GLY 22 Ca 0.37 -1.14 0.05 0.00 0.00 0.00 0.00 44.72 44.00 1s28 s GLY 22 CO 0.13 -1.15 0.43 -1.36 0.00 0.00 0.00 173.10 171.15 1s28 s PHE 23 N -1.83 3.36 1.18 1.90 0.40 -1.26 -0.14 117.98 121.60 1s28 s PHE 23 Ca 0.34 -3.25 -0.16 0.00 -0.60 0.00 0.00 56.93 53.26 1s28 s PHE 23 Cb -0.10 -2.66 0.23 0.00 0.51 0.00 0.00 43.02 40.99 1s28 s PHE 23 CO 0.27 -0.61 0.56 -2.30 0.70 0.00 0.00 175.22 173.85 1s28 n PRO 24 N 2.31 -2.36 -2.78 0.24 -0.02 -1.26 -4.99 135.00 126.14 1s28 n PRO 24 Ca 0.16 -0.67 -0.30 0.00 -2.02 0.00 0.00 63.50 60.67 1s28 n PRO 24 Cb 0.35 -1.94 -0.03 0.00 -0.02 0.00 0.00 33.50 31.87 1s28 n PRO 24 CO 0.00 0.00 0.00 -1.21 1.98 0.00 0.00 175.50 176.27 1s28 s GLU 25 N -4.00 3.75 -0.64 -0.52 2.02 -1.26 -4.88 118.70 113.17 1s28 s GLU 25 Ca 0.63 0.46 -0.26 0.00 0.02 0.00 0.00 54.97 55.81 1s28 s GLU 25 Cb -0.19 -2.37 -0.11 0.00 0.10 0.00 0.00 34.13 31.56 1s28 s GLU 25 CO 0.65 -0.08 2.45 1.63 0.02 0.00 0.00 175.26 179.92 1s28 n LYS 26 N -1.49 0.76 -0.02 1.61 4.01 -1.26 -4.77 118.16 117.01 1s28 n LYS 26 Ca 0.02 -0.15 -0.01 0.00 -0.51 0.00 0.00 58.31 57.67 1s28 n LYS 26 Cb 0.54 -3.11 -0.00 0.00 -0.51 0.00 0.00 35.03 31.94 1s28 n LYS 26 CO 0.00 0.00 0.00 -0.22 -1.11 0.00 0.00 177.40 176.07 1s28 h LYS 27 N 17.06 0.00 -7.38 1.97 3.64 -1.97 -3.48 116.57 126.41 1s28 h LYS 27 Ca -0.16 0.00 -0.50 0.00 -1.27 0.00 0.00 60.65 58.72 1s28 h LYS 27 Cb 1.23 0.00 0.10 0.00 -0.41 0.00 0.00 32.23 33.14 1s28 h LYS 27 CO 1.19 0.00 0.36 -1.01 -2.27 0.00 0.00 179.45 177.72 1s28 s HIS 28 N -1.32 3.04 0.37 1.91 3.76 -1.26 -5.05 115.29 116.74 1s28 s HIS 28 Ca -0.03 1.26 -0.16 0.00 -0.15 0.00 0.00 55.06 55.99 1s28 s HIS 28 Cb 0.00 -2.99 -0.09 0.00 1.11 0.00 0.00 32.58 30.61 1s28 s HIS 28 CO 0.04 -1.43 0.80 -2.00 -0.85 0.00 0.00 174.74 171.29 1s28 s GLU 29 N -5.13 4.02 0.00 1.40 2.12 -1.26 -3.56 118.70 116.28 1s28 s GLU 29 Ca 0.59 0.75 0.00 0.00 0.36 0.00 0.00 54.97 56.67 1s28 s GLU 29 Cb -0.14 -2.36 0.00 0.00 0.26 0.00 0.00 34.13 31.90 1s28 s GLU 29 CO 0.54 0.07 0.00 0.72 -0.54 0.00 0.00 175.26 176.05 1s28 n HIS 30 N -0.61 0.00 -2.17 5.30 8.25 -1.26 -4.97 115.22 119.76 1s28 n HIS 30 Ca 0.04 0.00 -0.38 0.00 -0.26 0.00 0.00 57.72 57.12 1s28 n HIS 30 Cb 0.53 -0.12 -0.00 0.00 1.12 0.00 0.00 29.99 31.52 1s28 n HIS 30 CO 0.00 0.00 0.00 -2.00 0.64 0.00 0.00 176.34 174.98 1s28 s GLU 31 N -0.04 3.79 0.00 -0.41 2.12 -1.23 -1.06 118.70 121.87 1s28 s GLU 31 Ca 0.00 1.91 0.00 0.00 0.36 0.00 0.00 54.97 57.24 1s28 s GLU 31 Cb 0.00 -2.52 0.00 0.00 0.26 0.00 0.00 34.13 31.87 1s28 s GLU 31 CO 0.00 -0.56 0.00 1.33 -0.54 0.00 0.00 175.26 175.49 1s28 n VAL 32 N -0.30 0.00 -3.93 3.70 0.24 -0.80 -4.87 118.33 112.37 1s28 n VAL 32 Ca 0.06 0.00 -0.10 0.00 -2.04 0.00 0.00 64.34 62.26 1s28 n VAL 32 Cb 0.46 -0.12 -0.12 0.00 -1.47 0.00 0.00 33.84 32.59 1s28 n VAL 32 CO 0.00 0.00 0.00 -0.31 -2.14 0.00 0.00 176.83 174.38 1s28 s TYR 33 N -0.99 0.14 -0.21 6.34 4.12 -1.23 -4.98 117.35 120.55 1s28 s TYR 33 Ca 0.00 -0.28 -0.08 0.00 0.02 0.00 0.00 57.07 56.73 1s28 s TYR 33 Cb 0.00 -0.10 0.09 0.00 -1.52 0.00 0.00 41.96 40.43 1s28 s TYR 33 CO 0.00 -0.11 0.45 0.00 0.02 0.00 0.00 175.55 175.91 1s28 s PHE 35 N 2.38 2.37 -0.19 0.00 0.40 -0.60 -4.31 117.98 118.03 1s28 s PHE 35 Ca -0.04 -0.95 -0.02 0.00 -0.60 0.00 0.00 56.93 55.31 1s28 s PHE 35 Cb -0.11 -1.60 -0.00 0.00 0.51 0.00 0.00 43.02 41.82 1s28 s PHE 35 CO -0.14 -0.39 -0.09 -2.00 0.70 0.00 0.00 175.22 173.30 1s28 s GLU 36 N 0.38 3.31 -0.77 0.44 2.12 0.80 -1.16 118.70 123.81 1s28 s GLU 36 Ca -0.18 -0.67 -0.08 0.00 0.36 0.00 0.00 54.97 54.40 1s28 s GLU 36 Cb -0.17 -2.85 0.20 0.00 0.26 0.00 0.00 34.13 31.56 1s28 s GLU 36 CO 0.08 -0.12 0.65 -0.06 -0.54 0.00 0.00 175.26 175.28 1s28 s PHE 37 N 1.21 3.65 0.48 5.30 0.40 -0.51 0.17 117.98 128.70 1s28 s PHE 37 Ca 0.02 -2.46 0.17 0.00 -0.60 0.00 0.00 56.93 54.06 1s28 s PHE 37 Cb -0.14 -3.50 1.18 0.00 0.51 0.00 0.00 43.02 41.07 1s28 s PHE 37 CO -0.03 -0.90 2.05 0.87 0.70 0.00 0.00 175.22 177.91 1s28 h LYS 38 N 7.19 0.19 -0.77 0.44 1.57 -1.93 -2.18 116.57 121.07 1s28 h LYS 38 Ca 0.07 -0.01 0.09 0.00 -1.87 0.00 0.00 60.65 58.93 1s28 h LYS 38 Cb 0.97 -0.04 -0.07 0.00 0.08 0.00 0.00 32.23 33.17 1s28 h LYS 38 CO 0.76 0.12 0.43 0.93 -0.57 0.00 0.00 179.45 181.12 1s28 h GLU 39 N 0.19 0.71 -0.41 3.15 5.08 -1.91 -2.49 114.58 118.89 1s28 h GLU 39 Ca 0.16 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.48 1s28 h GLU 39 Cb 0.41 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 29.50 1s28 h GLU 39 CO -0.03 0.47 0.00 1.33 -1.00 0.00 0.00 179.01 179.78 1s28 n VAL 40 N -4.78 1.97 -3.25 3.13 0.24 -0.98 -4.98 118.33 109.67 1s28 n VAL 40 Ca 0.12 -1.47 -0.21 0.00 -2.04 0.00 0.00 64.34 60.74 1s28 n VAL 40 Cb 0.26 -0.00 -0.01 0.00 -1.47 0.00 0.00 33.84 32.62 1s28 n VAL 40 CO 0.00 0.00 0.00 -1.20 -2.14 0.00 0.00 176.83 173.49 1s28 n SER 41 N 0.24 -3.59 -4.32 -1.34 7.64 -0.86 -4.83 113.62 106.56 1s28 n SER 41 Ca 0.21 -0.31 -0.31 0.00 1.01 0.00 0.00 58.87 59.47 1s28 n SER 41 Cb 0.83 -2.99 -0.16 0.00 -1.01 0.00 0.00 64.21 60.88 1s28 n SER 41 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 1s28 s ILE 42 N -2.87 2.16 -0.01 0.44 1.01 -1.11 -1.40 121.20 119.42 1s28 s ILE 42 Ca 0.35 -1.06 0.08 0.00 0.00 0.00 0.00 60.65 60.02 1s28 s ILE 42 Cb -0.18 -1.77 -0.02 0.00 0.01 0.00 0.00 42.46 40.50 1s28 s ILE 42 CO 0.43 0.58 -0.26 -0.13 0.00 0.00 0.00 174.94 175.56 1s28 s ARG 43 N -0.51 2.08 -0.22 2.79 0.52 0.31 -1.42 118.95 122.51 1s28 s ARG 43 Ca 0.07 -0.95 -0.01 0.00 -0.52 0.00 0.00 55.73 54.32 1s28 s ARG 43 Cb -0.11 -2.03 0.01 0.00 0.52 0.00 0.00 34.95 33.34 1s28 s ARG 43 CO 0.00 0.56 -0.10 0.42 0.02 0.00 0.00 175.30 176.20 1s28 s ILE 44 N -0.63 2.74 0.28 1.52 -1.09 -0.31 0.04 121.20 123.75 1s28 s ILE 44 Ca 0.10 -0.86 0.08 0.00 -2.23 0.00 0.00 60.65 57.75 1s28 s ILE 44 Cb -0.10 -2.29 -0.04 0.00 -1.58 0.00 0.00 42.46 38.45 1s28 s ILE 44 CO -0.01 0.37 0.11 -0.31 -1.23 0.00 0.00 174.94 173.87 1s28 s TYR 45 N 1.35 2.85 -0.15 3.97 1.51 -0.47 -1.55 117.35 124.86 1s28 s TYR 45 Ca 0.03 -0.22 -0.02 0.00 -1.01 0.00 0.00 57.07 55.86 1s28 s TYR 45 Cb -0.15 -1.39 0.04 0.00 -0.11 0.00 0.00 41.96 40.36 1s28 s TYR 45 CO -0.07 0.51 -0.01 -1.14 -1.11 0.00 0.00 175.55 173.73 1s28 s GLN 46 N -3.78 0.94 1.14 -0.62 0.74 -0.76 -0.53 119.66 116.78 1s28 s GLN 46 Ca 0.34 -0.32 -0.15 0.00 0.05 0.00 0.00 55.36 55.28 1s28 s GLN 46 Cb -0.06 -1.77 0.20 0.00 1.10 0.00 0.00 33.01 32.48 1s28 s GLN 46 CO 0.23 -0.47 0.57 -3.47 -0.55 0.00 0.00 175.29 171.60 1s28 n ASP 47 N 5.01 -1.99 0.08 6.67 2.03 0.96 -1.90 116.55 127.42 1s28 n ASP 47 Ca -0.10 -0.12 0.12 0.00 0.52 0.00 0.00 54.79 55.22 1s28 n ASP 47 Cb 0.48 -1.14 0.18 0.00 -0.72 0.00 0.00 41.12 39.93 1s28 n ASP 47 CO 0.00 0.00 0.00 0.50 -1.92 0.00 0.00 177.20 175.78 1s28 h LYS 48 N -2.38 0.00 -0.73 -0.67 3.64 -1.42 -3.27 116.57 111.74 1s28 h LYS 48 Ca -0.57 0.00 -0.31 0.00 -1.27 0.00 0.00 60.65 58.49 1s28 h LYS 48 Cb 1.34 0.00 -0.19 0.00 -0.41 0.00 0.00 32.23 32.98 1s28 h LYS 48 CO 0.44 0.00 0.33 1.19 -2.27 0.00 0.00 179.45 179.14 1s28 n PHE 49 N -2.27 2.32 -3.17 1.91 3.01 -1.26 -4.95 117.46 113.05 1s28 n PHE 49 Ca 0.03 -1.51 -0.14 0.00 1.01 0.00 0.00 57.45 56.84 1s28 n PHE 49 Cb 0.46 -0.73 0.07 0.00 -0.01 0.00 0.00 39.48 39.28 1s28 n PHE 49 CO 0.00 0.00 0.00 1.63 1.01 0.00 0.00 176.76 179.40 1s28 n LYS 50 N -0.76 -5.06 -5.10 -1.08 4.76 -1.23 -4.94 118.16 104.76 1s28 n LYS 50 Ca 0.45 0.72 -0.29 0.00 -2.87 0.00 0.00 58.31 56.33 1s28 n LYS 50 Cb 1.40 -5.31 -0.16 0.00 -1.84 0.00 0.00 35.03 29.12 1s28 n LYS 50 CO 0.00 0.00 0.00 -1.58 -1.37 0.00 0.00 177.40 174.45 1s28 s TRP 51 N -3.31 2.03 -0.04 2.13 0.52 -1.26 -1.54 118.94 117.48 1s28 s TRP 51 Ca 0.05 -0.43 -0.03 0.00 0.02 0.00 0.00 56.10 55.72 1s28 s TRP 51 Cb -0.01 -1.32 -0.04 0.00 -1.15 0.00 0.00 33.47 30.96 1s28 s TRP 51 CO 0.61 -0.07 0.11 0.54 0.02 0.00 0.00 176.95 178.16 1s28 s VAL 52 N -0.43 5.00 0.07 4.03 0.11 -0.57 -0.03 120.40 128.59 1s28 s VAL 52 Ca 0.06 -0.20 0.07 0.00 -2.93 0.00 0.00 61.98 58.98 1s28 s VAL 52 Cb -0.09 -3.25 -0.03 0.00 -1.53 0.00 0.00 36.38 31.48 1s28 s VAL 52 CO -0.00 0.44 -0.19 -0.31 -3.33 0.00 0.00 175.10 171.71 1s28 s TYR 53 N -1.15 1.61 -0.17 1.54 1.51 0.31 -1.60 117.35 119.40 1s28 s TYR 53 Ca 0.21 -0.40 0.01 0.00 -1.01 0.00 0.00 57.07 55.87 1s28 s TYR 53 Cb -0.12 -0.92 0.03 0.00 -0.11 0.00 0.00 41.96 40.84 1s28 s TYR 53 CO 0.11 0.13 -0.12 -0.06 -1.11 0.00 0.00 175.55 174.50 1s28 s PHE 54 N -1.04 2.30 -0.14 2.71 0.40 -0.47 -1.37 117.98 120.37 1s28 s PHE 54 Ca 0.05 -1.41 0.01 0.00 -0.60 0.00 0.00 56.93 54.97 1s28 s PHE 54 Cb -0.09 -1.62 -0.00 0.00 0.51 0.00 0.00 43.02 41.81 1s28 s PHE 54 CO 0.03 -0.71 -0.17 -1.17 0.70 0.00 0.00 175.22 173.90 1s28 s LEU 55 N 1.44 2.42 -0.03 -0.37 2.96 0.11 -1.62 118.68 123.58 1s28 s LEU 55 Ca 0.02 -0.48 0.07 0.00 -0.22 0.00 0.00 54.13 53.52 1s28 s LEU 55 Cb -0.15 -1.54 -0.02 0.00 0.50 0.00 0.00 46.19 44.99 1s28 s LEU 55 CO -0.09 0.11 -0.25 -0.55 -1.32 0.00 0.00 176.35 174.24 1s28 s SER 56 N 0.68 2.94 -0.36 3.68 0.15 -0.31 0.11 113.70 120.60 1s28 s SER 56 Ca -0.08 -0.46 -0.08 0.00 0.70 0.00 0.00 55.95 56.02 1s28 s SER 56 Cb -0.16 -0.49 0.04 0.00 -1.71 0.00 0.00 66.02 63.71 1s28 s SER 56 CO 0.02 0.28 0.15 -1.81 1.20 0.00 0.00 173.24 173.08 1s28 s ASP 57 N -0.44 5.47 0.47 5.45 1.01 -0.49 -1.18 116.67 126.96 1s28 s ASP 57 Ca 0.05 -1.15 0.26 0.00 0.71 0.00 0.00 52.55 52.43 1s28 s ASP 57 Cb -0.11 -1.93 1.05 0.00 1.01 0.00 0.00 42.92 42.95 1s28 s ASP 57 CO 0.01 -0.37 1.88 0.40 0.21 0.00 0.00 175.17 177.29 1s28 h ILE 58 N 6.08 0.45 0.00 0.77 2.04 -1.81 -3.47 117.51 121.57 1s28 h ILE 58 Ca -0.24 -0.95 0.00 0.00 1.00 0.00 0.00 64.86 64.67 1s28 h ILE 58 Cb 1.09 1.68 0.00 0.00 -0.74 0.00 0.00 36.82 38.85 1s28 h ILE 58 CO 0.64 0.17 0.00 0.61 0.00 0.00 0.00 178.15 179.57 1s28 n GLY 59 N 0.06 0.29 3.56 5.37 0.00 -1.24 -4.90 105.19 108.32 1s28 n GLY 59 Ca 0.00 -1.82 -0.24 0.00 0.00 0.00 0.00 46.02 43.96 1s28 n GLY 59 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1s28 s VAL 60 N 0.00 2.99 -0.22 1.61 1.01 -1.26 -0.80 120.40 123.73 1s28 s VAL 60 Ca 0.00 -2.10 -0.02 0.00 0.00 0.00 0.00 61.98 59.86 1s28 s VAL 60 Cb 0.00 -2.57 0.01 0.00 0.00 0.00 0.00 36.38 33.82 1s28 s VAL 60 CO 0.00 -0.35 -0.09 -0.63 0.00 0.00 0.00 175.10 174.02 1s28 s ILE 61 N -2.32 2.84 -2.02 2.22 1.01 -1.26 -4.84 121.20 116.82 1s28 s ILE 61 Ca 0.30 -0.80 0.17 0.00 0.00 0.00 0.00 60.65 60.32 1s28 s ILE 61 Cb -0.06 -2.32 0.49 0.00 0.01 0.00 0.00 42.46 40.57 1s28 s ILE 61 CO 0.17 0.38 1.41 -0.67 0.00 0.00 0.00 174.94 176.23 1s28 n ASP 62 N 4.70 2.95 -3.32 3.58 -0.08 -1.26 -4.70 116.55 118.43 1s28 n ASP 62 Ca -0.18 -1.99 -0.10 0.00 -1.51 0.00 0.00 54.79 51.01 1s28 n ASP 62 Cb 0.49 -0.36 -0.07 0.00 2.34 0.00 0.00 41.12 43.52 1s28 n ASP 62 CO 0.00 0.00 0.00 0.54 0.12 0.00 0.00 177.20 177.86 1s28 s ASN 63 N -1.03 0.49 -0.90 1.67 4.22 -1.26 -5.09 114.94 113.03 1s28 s ASN 63 Ca 0.37 -0.30 -0.16 0.00 -2.14 0.00 0.00 52.86 50.63 1s28 s ASN 63 Cb 0.19 1.05 0.17 0.00 1.28 0.00 0.00 41.25 43.94 1s28 s ASN 63 CO 0.26 -0.35 1.00 -0.76 -2.04 0.00 0.00 177.10 175.20 1s28 s LEU 64 N 2.53 5.77 -0.06 3.54 1.43 -1.26 -4.99 118.68 125.63 1s28 s LEU 64 Ca 0.10 -2.37 0.06 0.00 -1.03 0.00 0.00 54.13 50.89 1s28 s LEU 64 Cb -0.13 -2.32 -0.01 0.00 0.03 0.00 0.00 46.19 43.76 1s28 s LEU 64 CO -0.28 -0.84 -0.24 -1.81 0.23 0.00 0.00 176.35 173.41 1s28 s ASP 65 N 2.96 3.15 0.21 2.29 1.01 -1.26 -5.01 116.67 120.03 1s28 s ASP 65 Ca 0.27 -0.48 -0.12 0.00 0.71 0.00 0.00 52.55 52.92 1s28 s ASP 65 Cb -0.07 -0.81 0.26 0.00 1.01 0.00 0.00 42.92 43.32 1s28 s ASP 65 CO -0.09 0.26 1.63 0.77 0.21 0.00 0.00 175.17 177.95 1s28 h SER 66 N 5.97 -0.52 -0.91 0.27 4.64 -1.97 0.68 113.55 121.72 1s28 h SER 66 Ca -0.34 0.18 0.11 0.00 -0.47 0.00 0.00 61.79 61.28 1s28 h SER 66 Cb 1.17 0.37 -0.08 0.00 -0.31 0.00 0.00 62.40 63.55 1s28 h SER 66 CO 0.47 -0.19 0.54 0.78 -0.87 0.00 0.00 176.83 177.56 1s28 h ASN 67 N 0.03 0.77 -0.20 4.97 2.35 -2.00 0.52 115.58 122.02 1s28 h ASN 67 Ca 0.32 0.05 -0.08 0.00 -0.55 0.00 0.00 56.30 56.04 1s28 h ASN 67 Cb 0.50 -0.10 -0.00 0.00 0.05 0.00 0.00 38.32 38.77 1s28 h ASN 67 CO -0.63 0.41 -0.18 0.00 -1.65 0.00 0.00 177.43 175.38 1s28 h ALA 68 N 1.51 0.30 -0.02 -0.83 0.00 -1.03 -3.01 119.26 116.18 1s28 h ALA 68 Ca 0.45 -0.34 0.00 0.00 0.00 0.00 0.00 54.91 55.03 1s28 h ALA 68 Cb 0.46 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 1s28 h ALA 68 CO -0.27 0.21 -0.08 0.00 0.00 0.00 0.00 179.25 179.11 1s28 h GLN 70 N -0.08 -0.04 -1.67 0.00 4.20 -1.07 1.15 115.11 117.59 1s28 h GLN 70 Ca 0.01 0.00 0.49 0.00 0.06 0.00 0.00 58.65 59.21 1s28 h GLN 70 Cb 0.10 0.01 -0.08 0.00 0.30 0.00 0.00 27.48 27.81 1s28 h GLN 70 CO -0.06 -0.02 1.19 0.77 -0.67 0.00 0.00 178.83 180.03 1s28 h SER 71 N -0.04 0.03 0.08 1.46 0.02 -1.37 1.35 113.55 115.09 1s28 h SER 71 Ca 0.06 0.02 -0.00 0.00 -0.84 0.00 0.00 61.79 61.02 1s28 h SER 71 Cb 0.18 0.02 0.00 0.00 0.14 0.00 0.00 62.40 62.74 1s28 h SER 71 CO -0.34 -0.02 -0.04 0.25 -1.14 0.00 0.00 176.83 175.54 1s28 h LEU 72 N 0.01 -0.09 0.00 5.07 5.85 0.25 -3.16 115.31 123.24 1s28 h LEU 72 Ca 0.82 0.00 0.00 0.00 0.84 0.00 0.00 57.88 59.54 1s28 h LEU 72 Cb 3.19 0.02 0.00 0.00 0.37 0.00 0.00 40.66 44.24 1s28 h LEU 72 CO -0.06 0.06 0.00 -0.11 -0.34 0.00 0.00 178.44 177.99 1s28 n LEU 73 N -2.99 0.00 0.00 2.25 0.00 0.87 0.58 117.00 117.72 1s28 n LEU 73 Ca -0.01 0.00 0.11 0.00 0.00 0.00 0.00 56.01 56.11 1s28 n LEU 73 Cb 0.04 0.00 0.04 0.00 0.00 0.00 0.00 43.42 43.51 1s28 n LEU 73 CO 0.03 0.00 0.14 -1.14 0.00 0.00 0.00 177.39 176.42 1s28 n ARG 74 N -0.79 0.05 0.06 1.96 3.00 0.44 -3.78 116.66 117.60 1s28 n ARG 74 Ca 0.02 -0.00 0.12 0.00 -0.00 0.00 0.00 57.85 57.99 1s28 n ARG 74 Cb 0.01 -1.51 0.48 0.00 0.00 0.00 0.00 32.46 31.43 1s28 n ARG 74 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.63 178.91 1s28 n LEU 75 N -1.58 0.41 -0.88 6.15 4.77 0.20 -2.93 117.00 123.14 1s28 n LEU 75 Ca 0.04 0.55 0.06 0.00 -0.03 0.00 0.00 56.01 56.63 1s28 n LEU 75 Cb 0.35 -0.44 0.19 0.00 -2.33 0.00 0.00 43.42 41.18 1s28 n LEU 75 CO 0.40 -0.19 0.63 0.59 -1.33 0.00 0.00 177.39 177.48 1s28 n ASN 76 N -1.90 2.54 -4.66 -1.43 4.13 -1.25 -4.89 115.26 107.80 1s28 n ASN 76 Ca 0.05 -2.15 -0.40 0.00 1.68 0.00 0.00 54.58 53.76 1s28 n ASN 76 Cb 0.33 -0.36 0.02 0.00 -1.54 0.00 0.00 39.78 38.23 1s28 n ASN 76 CO 0.00 0.00 0.00 -1.84 0.28 0.00 0.00 177.26 175.70 1s28 n GLU 77 N 0.57 1.58 -2.01 3.52 0.28 -1.15 -4.92 120.64 118.51 1s28 n GLU 77 Ca 0.14 0.57 -0.34 0.00 -0.16 0.00 0.00 57.16 57.36 1s28 n GLU 77 Cb 0.46 -2.26 0.03 0.00 1.43 0.00 0.00 31.44 31.10 1s28 n GLU 77 CO 0.00 0.00 0.00 0.12 -0.16 0.00 0.00 177.13 177.09 1s28 s PHE 78 N -1.27 2.62 -0.20 -1.84 5.36 -1.26 -5.05 117.98 116.34 1s28 s PHE 78 Ca 0.65 1.55 -0.36 0.00 -0.96 0.00 0.00 56.93 57.81 1s28 s PHE 78 Cb -0.50 -3.25 0.14 0.00 -0.34 0.00 0.00 43.02 39.06 1s28 s PHE 78 CO 0.55 -1.68 1.23 0.54 -1.46 0.00 0.00 175.22 174.40 1s28 s ASN 79 N -2.12 -0.12 -0.48 6.13 2.20 -1.26 -5.06 114.94 114.24 1s28 s ASN 79 Ca 0.71 -0.00 -0.03 0.00 -0.94 0.00 0.00 52.86 52.60 1s28 s ASN 79 Cb -0.23 0.13 0.16 0.00 -2.00 0.00 0.00 41.25 39.31 1s28 s ASN 79 CO 0.34 -0.21 2.44 0.18 -2.94 0.00 0.00 177.10 176.91 1s28 n LEU 80 N -0.09 6.68 -4.82 3.54 4.77 -1.26 -4.96 117.00 120.86 1s28 n LEU 80 Ca 0.01 -3.96 -0.38 0.00 -0.03 0.00 0.00 56.01 51.65 1s28 n LEU 80 Cb 0.58 -1.15 -0.06 0.00 -2.33 0.00 0.00 43.42 40.46 1s28 n LEU 80 CO 0.09 1.58 0.12 -0.13 -1.33 0.00 0.00 177.39 177.72 1s28 s ARG 81 N -2.16 3.97 1.05 3.23 1.81 -1.26 -5.07 118.95 120.53 1s28 s ARG 81 Ca 0.51 0.43 -0.11 0.00 -1.72 0.00 0.00 55.73 54.84 1s28 s ARG 81 Cb 0.36 -3.24 0.22 0.00 -0.45 0.00 0.00 34.95 31.84 1s28 s ARG 81 CO -0.17 0.64 1.08 0.25 -0.68 0.00 0.00 175.30 176.42 1s28 n THR 82 N 1.98 0.00 -1.43 0.02 -2.24 -1.26 -4.00 114.28 107.35 1s28 n THR 82 Ca -0.13 -0.22 -0.06 0.00 -2.27 0.00 0.00 64.05 61.37 1s28 n THR 82 Cb 0.52 -1.00 0.01 0.00 -2.10 0.00 0.00 70.33 67.76 1s28 n THR 82 CO 0.00 0.00 0.00 -2.65 -0.57 0.00 0.00 175.07 171.85 1s28 n PRO 83 N -4.61 -0.30 -2.87 -0.78 -0.02 -1.26 -4.84 135.00 120.33 1s28 n PRO 83 Ca 0.07 0.29 -0.41 0.00 -2.02 0.00 0.00 63.50 61.43 1s28 n PRO 83 Cb 0.53 -0.39 -0.04 0.00 -0.02 0.00 0.00 33.50 33.58 1s28 n PRO 83 CO 0.00 0.00 0.00 0.12 1.98 0.00 0.00 175.50 177.60 1s28 s PHE 84 N -0.32 3.65 -0.40 6.00 5.36 -1.26 -5.03 117.98 125.98 1s28 s PHE 84 Ca 0.05 1.51 -0.17 0.00 -0.96 0.00 0.00 56.93 57.37 1s28 s PHE 84 Cb -0.01 -2.96 0.01 0.00 -0.34 0.00 0.00 43.02 39.73 1s28 s PHE 84 CO 0.12 0.08 0.44 -0.06 -1.46 0.00 0.00 175.22 174.35 1s28 s PHE 85 N 0.70 3.17 -0.01 10.12 0.40 -1.26 -4.58 117.98 126.51 1s28 s PHE 85 Ca 0.44 -0.26 -0.28 0.00 -0.60 0.00 0.00 56.93 56.23 1s28 s PHE 85 Cb -0.20 -2.89 -0.04 0.00 0.51 0.00 0.00 43.02 40.41 1s28 s PHE 85 CO 0.24 -0.66 0.89 0.99 0.70 0.00 0.00 175.22 177.38 1s28 s THR 86 N 2.18 4.88 -0.22 0.64 2.01 -0.49 -4.88 115.64 119.76 1s28 s THR 86 Ca 0.13 1.87 -0.07 0.00 0.31 0.00 0.00 61.69 63.93 1s28 s THR 86 Cb -0.17 -4.23 -0.03 0.00 0.01 0.00 0.00 72.50 68.08 1s28 s THR 86 CO 0.14 0.21 0.06 -0.69 -0.69 0.00 0.00 174.62 173.64 1s28 s VAL 87 N 0.82 4.43 0.00 3.82 1.01 -1.26 -2.06 120.40 127.17 1s28 s VAL 87 Ca 0.47 -0.14 0.00 0.00 0.00 0.00 0.00 61.98 62.31 1s28 s VAL 87 Cb -0.20 -3.04 0.00 0.00 0.00 0.00 0.00 36.38 33.14 1s28 s VAL 87 CO 0.25 0.39 0.00 0.61 0.00 0.00 0.00 175.10 176.35 1s28 n GLY 88 N 4.35 3.78 3.16 4.51 0.00 -0.29 -4.88 105.19 115.82 1s28 n GLY 88 Ca -0.16 -1.55 -0.31 0.00 0.00 0.00 0.00 46.02 44.00 1s28 n GLY 88 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1s28 s LEU 89 N 0.00 1.98 1.05 0.99 1.02 -1.26 -2.59 118.68 119.87 1s28 s LEU 89 Ca 0.00 -0.52 -0.15 0.00 0.02 0.00 0.00 54.13 53.49 1s28 s LEU 89 Cb 0.00 -1.30 0.19 0.00 0.02 0.00 0.00 46.19 45.10 1s28 s LEU 89 CO 0.00 0.10 0.37 -3.20 0.02 0.00 0.00 176.35 173.64 1s28 n ASN 90 N 3.78 -3.09 -0.20 2.29 5.15 0.12 -4.79 115.26 118.52 1s28 n ASN 90 Ca -0.20 -0.42 0.00 0.00 -0.60 0.00 0.00 54.58 53.36 1s28 n ASN 90 Cb 0.52 -0.79 0.01 0.00 -0.53 0.00 0.00 39.78 38.99 1s28 n ASN 90 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 1s28 n GLU 91 N -2.15 1.07 -2.71 1.20 1.02 -1.26 -3.20 120.64 114.61 1s28 n GLU 91 Ca 0.06 -0.09 -0.05 0.00 -0.02 0.00 0.00 57.16 57.07 1s28 n GLU 91 Cb 0.38 -1.18 0.09 0.00 -0.02 0.00 0.00 31.44 30.71 1s28 n GLU 91 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1s28 n LYS 92 N -0.29 1.33 -4.13 3.49 5.02 -1.26 -5.00 118.16 117.32 1s28 n LYS 92 Ca 0.01 -2.29 -0.32 0.00 -2.02 0.00 0.00 58.31 53.69 1s28 n LYS 92 Cb 0.10 -0.47 -0.03 0.00 -0.02 0.00 0.00 35.03 34.61 1s28 n LYS 92 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1s28 n LYS 93 N -0.74 -3.19 -4.87 1.97 4.01 -1.19 -4.96 118.16 109.18 1s28 n LYS 93 Ca -0.03 0.38 -0.33 0.00 -0.51 0.00 0.00 58.31 57.82 1s28 n LYS 93 Cb 0.84 -4.86 -0.13 0.00 -0.51 0.00 0.00 35.03 30.36 1s28 n LYS 93 CO 0.00 0.00 0.00 -0.51 -1.11 0.00 0.00 177.40 175.78 1s28 s ASP 94 N -3.68 4.01 0.23 4.39 1.01 -1.26 -4.20 116.67 117.16 1s28 s ASP 94 Ca 0.47 -0.23 -0.31 0.00 0.71 0.00 0.00 52.55 53.19 1s28 s ASP 94 Cb -0.26 -1.03 -0.15 0.00 1.01 0.00 0.00 42.92 42.50 1s28 s ASP 94 CO 0.92 0.30 1.13 0.61 0.21 0.00 0.00 175.17 178.34 1s28 n GLY 95 N 2.61 0.01 3.36 0.21 0.00 0.02 0.15 105.19 111.56 1s28 n GLY 95 Ca -0.17 0.45 -0.11 0.00 0.00 0.00 0.00 46.02 46.18 1s28 n GLY 95 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1s28 s VAL 96 N -0.52 -0.01 -0.06 1.61 0.11 -1.07 -2.39 120.40 118.07 1s28 s VAL 96 Ca 0.67 0.05 -0.02 0.00 -2.93 0.00 0.00 61.98 59.74 1s28 s VAL 96 Cb -0.77 -0.69 0.03 0.00 -1.53 0.00 0.00 36.38 33.43 1s28 s VAL 96 CO 0.55 0.02 0.05 -0.69 -3.33 0.00 0.00 175.10 171.70 1s28 s VAL 97 N 1.04 -0.03 0.31 2.04 1.01 -0.32 -1.13 120.40 123.31 1s28 s VAL 97 Ca -0.06 0.31 0.04 0.00 0.00 0.00 0.00 61.98 62.27 1s28 s VAL 97 Cb -0.06 -0.26 -0.03 0.00 0.00 0.00 0.00 36.38 36.03 1s28 s VAL 97 CO -0.09 0.14 0.19 -1.38 0.00 0.00 0.00 175.10 173.95 1s28 s HIS 98 N 2.14 1.62 0.23 5.22 -3.43 -0.87 -1.16 115.29 119.03 1s28 s HIS 98 Ca 0.05 -1.45 -0.18 0.00 -0.80 0.00 0.00 55.06 52.68 1s28 s HIS 98 Cb -0.13 -0.82 0.02 0.00 -1.43 0.00 0.00 32.58 30.22 1s28 s HIS 98 CO -0.04 -0.61 0.58 0.99 -2.00 0.00 0.00 174.74 173.66 1s28 s THR 99 N -3.57 0.01 0.01 -5.38 2.01 -0.64 -1.39 115.64 106.68 1s28 s THR 99 Ca 0.36 -0.95 -0.08 0.00 0.31 0.00 0.00 61.69 61.33 1s28 s THR 99 Cb 0.04 -1.82 0.00 0.00 0.01 0.00 0.00 72.50 70.73 1s28 s THR 99 CO 0.20 -0.05 0.15 0.00 -0.69 0.00 0.00 174.62 174.23 1s28 s ARG 100 N -3.91 0.53 -0.22 4.92 1.70 -1.26 -1.37 118.95 119.32 1s28 s ARG 100 Ca 0.12 -0.44 -0.16 0.00 -0.47 0.00 0.00 55.73 54.78 1s28 s ARG 100 Cb -0.02 0.22 0.06 0.00 -0.57 0.00 0.00 34.95 34.64 1s28 s ARG 100 CO 0.02 -0.13 0.57 0.42 -1.08 0.00 0.00 175.30 175.10 1s28 s ILE 101 N -1.59 -0.01 0.59 4.99 1.01 -0.63 -4.88 121.20 120.68 1s28 s ILE 101 Ca -0.13 0.02 -0.19 0.00 0.00 0.00 0.00 60.65 60.35 1s28 s ILE 101 Cb -0.06 -0.82 -0.04 0.00 0.01 0.00 0.00 42.46 41.55 1s28 s ILE 101 CO 0.01 0.01 1.22 -2.16 0.00 0.00 0.00 174.94 174.02 1s28 s PRO 102 N 0.95 3.00 0.20 2.79 0.04 -1.26 -1.51 135.00 139.22 1s28 s PRO 102 Ca -0.05 1.86 0.15 0.00 0.04 0.00 0.00 61.00 63.00 1s28 s PRO 102 Cb -0.05 -1.97 -0.01 0.00 0.04 0.00 0.00 34.50 32.51 1s28 s PRO 102 CO -0.08 -1.19 1.24 1.25 0.04 0.00 0.00 177.00 178.25 1s28 h LEU 103 N 0.96 0.00 -9.26 -3.56 5.85 -1.64 -3.44 115.31 104.22 1s28 h LEU 103 Ca -0.50 0.00 -0.61 0.00 0.84 0.00 0.00 57.88 57.61 1s28 h LEU 103 Cb 1.30 0.00 0.02 0.00 0.37 0.00 0.00 40.66 42.34 1s28 h LEU 103 CO 0.55 0.54 1.14 -0.11 -0.34 0.00 0.00 178.44 180.22 1s28 n LEU 104 N -3.12 3.52 -2.93 2.25 7.94 -1.26 -1.67 117.00 121.74 1s28 n LEU 104 Ca -0.02 0.94 -0.22 0.00 -1.11 0.00 0.00 56.01 55.60 1s28 n LEU 104 Cb 0.77 -1.39 0.04 0.00 0.53 0.00 0.00 43.42 43.37 1s28 n LEU 104 CO 0.42 -0.04 0.01 -3.20 -1.11 0.00 0.00 177.39 173.47 1s28 n ASN 105 N 6.95 -6.00 -3.99 1.96 4.05 -1.26 -5.01 115.26 111.97 1s28 n ASN 105 Ca 0.23 -0.29 -0.30 0.00 0.45 0.00 0.00 54.58 54.67 1s28 n ASN 105 Cb 0.31 -4.81 -0.16 0.00 1.23 0.00 0.00 39.78 36.36 1s28 n ASN 105 CO 0.00 0.00 0.00 -0.22 -3.05 0.00 0.00 177.26 173.99 1s28 s LEU 106 N -6.47 2.32 0.68 1.20 2.96 -0.67 -5.13 118.68 113.57 1s28 s LEU 106 Ca 0.31 -0.92 -0.11 0.00 -0.22 0.00 0.00 54.13 53.19 1s28 s LEU 106 Cb -0.13 -1.23 -0.00 0.00 0.50 0.00 0.00 46.19 45.32 1s28 s LEU 106 CO 0.38 -0.15 1.06 -0.62 -1.32 0.00 0.00 176.35 175.70 1s28 s ASP 107 N 1.39 5.62 0.46 3.68 2.15 -1.26 -4.88 116.67 123.82 1s28 s ASP 107 Ca -0.02 1.35 0.17 0.00 0.43 0.00 0.00 52.55 54.48 1s28 s ASP 107 Cb -0.16 -2.25 1.07 0.00 -0.30 0.00 0.00 42.92 41.27 1s28 s ASP 107 CO -0.08 -1.25 2.00 -0.55 -0.17 0.00 0.00 175.17 175.11 1s28 h ASN 108 N -0.59 0.00 -0.53 -0.34 -1.07 -1.96 -2.75 115.58 108.34 1s28 h ASN 108 Ca -0.45 0.00 -0.01 0.00 0.07 0.00 0.00 56.30 55.91 1s28 h ASN 108 Cb 1.22 0.00 -0.02 0.00 -2.07 0.00 0.00 38.32 37.45 1s28 h ASN 108 CO 0.61 0.18 0.29 0.58 0.07 0.00 0.00 177.43 179.17 1s28 h VAL 109 N 0.00 1.18 0.00 6.14 2.07 -1.94 0.27 116.25 123.97 1s28 h VAL 109 Ca -0.00 -0.46 0.00 0.00 0.82 0.00 0.00 66.70 67.06 1s28 h VAL 109 Cb 0.34 0.52 0.00 0.00 -1.52 0.00 0.00 31.29 30.63 1s28 h VAL 109 CO 0.02 0.19 0.00 1.21 0.02 0.00 0.00 177.57 179.02 1s28 n GLU 110 N -4.63 0.46 0.00 1.57 2.13 -1.04 -2.17 120.64 116.97 1s28 n GLU 110 Ca 0.03 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.85 1s28 n GLU 110 Cb 0.09 -1.27 0.00 0.00 0.27 0.00 0.00 31.44 30.53 1s28 n GLU 110 CO 0.00 0.00 0.00 0.54 -0.41 0.00 0.00 177.13 177.26 1s28 n ARG 112 N 1.36 0.00 -0.08 5.31 5.12 0.08 -0.75 116.66 127.70 1s28 n ARG 112 Ca 0.00 0.00 -0.07 0.00 -1.93 0.00 0.00 57.85 55.85 1s28 n ARG 112 Cb 0.23 0.00 -0.00 0.00 -1.16 0.00 0.00 32.46 31.53 1s28 n ARG 112 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1s28 h ARG 113 N 0.00 -0.14 -0.63 5.56 3.08 -1.70 0.41 114.38 120.95 1s28 h ARG 113 Ca 0.00 0.01 0.11 0.00 0.07 0.00 0.00 59.98 60.16 1s28 h ARG 113 Cb 0.00 0.03 -0.08 0.00 0.08 0.00 0.00 29.97 30.00 1s28 h ARG 113 CO 0.00 -0.09 0.23 0.28 -1.07 0.00 0.00 179.97 179.31 1s28 h VAL 114 N -0.14 0.73 0.38 2.04 2.07 -1.24 0.91 116.25 121.00 1s28 h VAL 114 Ca 0.16 -0.13 -0.01 0.00 0.82 0.00 0.00 66.70 67.53 1s28 h VAL 114 Cb 0.39 0.30 -0.01 0.00 -1.52 0.00 0.00 31.29 30.46 1s28 h VAL 114 CO -0.40 0.07 -0.29 0.15 0.02 0.00 0.00 177.57 177.13 1s28 h PHE 115 N 0.39 -0.78 -0.51 1.57 3.57 -1.19 0.13 116.94 120.12 1s28 h PHE 115 Ca 0.33 -0.00 0.10 0.00 3.53 0.00 0.00 57.97 61.93 1s28 h PHE 115 Cb 0.44 0.29 -0.10 0.00 2.79 0.00 0.00 35.95 39.36 1s28 h PHE 115 CO -0.18 -0.41 -0.18 0.93 -2.23 0.00 0.00 178.31 176.24 1s28 h GLU 116 N -0.64 -0.06 -0.66 1.11 4.39 0.29 0.16 114.58 119.16 1s28 h GLU 116 Ca -0.05 0.00 0.13 0.00 0.34 0.00 0.00 59.36 59.79 1s28 h GLU 116 Cb 0.53 0.01 -0.10 0.00 -0.10 0.00 0.00 28.75 29.10 1s28 h GLU 116 CO 0.02 -0.04 0.14 0.00 -1.16 0.00 0.00 179.01 177.96 1s28 h ALA 117 N 1.35 0.80 -0.98 3.43 0.00 0.10 0.64 119.26 124.61 1s28 h ALA 117 Ca 0.24 0.15 0.01 0.00 0.00 0.00 0.00 54.91 55.31 1s28 h ALA 117 Cb 0.44 0.21 -0.05 0.00 0.00 0.00 0.00 17.79 18.39 1s28 h ALA 117 CO -0.56 -0.32 0.65 1.25 0.00 0.00 0.00 179.25 180.27 1s28 h LEU 118 N 0.26 1.12 0.65 0.00 5.85 0.20 -1.26 115.31 122.13 1s28 h LEU 118 Ca 0.36 -0.03 -0.03 0.00 0.84 0.00 0.00 57.88 59.02 1s28 h LEU 118 Cb 0.56 -0.28 -0.00 0.00 0.37 0.00 0.00 40.66 41.31 1s28 h LEU 118 CO -0.45 0.80 -0.40 -0.07 -0.34 0.00 0.00 178.44 177.98 1s28 h LEU 119 N 1.32 -1.00 -0.70 2.25 3.38 0.77 -1.24 115.31 120.09 1s28 h LEU 119 Ca 0.36 0.05 0.15 0.00 0.09 0.00 0.00 57.88 58.54 1s28 h LEU 119 Cb -0.14 0.29 -0.12 0.00 0.09 0.00 0.00 40.66 40.78 1s28 h LEU 119 CO -0.08 -0.61 -0.03 0.78 0.09 0.00 0.00 178.44 178.58 1s28 h ASN 120 N -0.98 -0.39 -0.83 -0.43 2.35 -1.19 0.10 115.58 114.21 1s28 h ASN 120 Ca -0.09 0.18 0.03 0.00 -0.55 0.00 0.00 56.30 55.88 1s28 h ASN 120 Cb 0.79 0.34 -0.05 0.00 0.05 0.00 0.00 38.32 39.44 1s28 h ASN 120 CO 0.09 -0.17 0.53 0.25 -1.65 0.00 0.00 177.43 176.48 1s28 h LEU 121 N 0.08 0.88 -1.26 1.61 5.85 -1.07 0.84 115.31 122.24 1s28 h LEU 121 Ca 0.37 -0.00 -0.03 0.00 0.84 0.00 0.00 57.88 59.05 1s28 h LEU 121 Cb 0.62 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 41.43 1s28 h LEU 121 CO -0.63 0.60 0.13 0.28 -0.34 0.00 0.00 178.44 178.48 1s28 h SER 122 N 1.03 0.59 0.26 1.25 0.02 0.37 -0.61 113.55 116.45 1s28 h SER 122 Ca 0.34 -0.08 -0.01 0.00 -0.84 0.00 0.00 61.79 61.19 1s28 h SER 122 Cb 0.02 -0.15 0.00 0.00 0.14 0.00 0.00 62.40 62.41 1s28 h SER 122 CO -0.12 0.57 -0.13 1.23 -1.14 0.00 0.00 176.83 177.25 1s28 h GLY 123 N 0.83 -0.37 -0.45 -3.77 0.00 0.88 0.19 103.07 100.38 1s28 h GLY 123 Ca 0.15 0.14 0.22 0.00 0.00 0.00 0.00 47.33 47.84 1s28 h GLY 123 CO -0.01 -0.14 0.17 0.83 0.00 0.00 0.00 176.54 177.40 1s28 h GLU 124 N -0.35 0.17 -0.29 4.80 5.08 -0.94 0.18 114.58 123.23 1s28 h GLU 124 Ca -0.04 -0.01 -0.11 0.00 -1.00 0.00 0.00 59.36 58.20 1s28 h GLU 124 Cb 0.27 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.47 1s28 h GLU 124 CO 0.06 0.11 -0.30 0.28 -1.00 0.00 0.00 179.01 178.16 1s28 h VAL 125 N 0.17 1.28 -0.03 3.13 2.07 -1.03 -3.18 116.25 118.66 1s28 h VAL 125 Ca 0.52 -1.40 -0.00 0.00 0.82 0.00 0.00 66.70 66.63 1s28 h VAL 125 Cb 1.02 1.39 -0.00 0.00 -1.52 0.00 0.00 31.29 32.17 1s28 h VAL 125 CO -0.67 0.45 0.00 0.50 0.02 0.00 0.00 177.57 177.87 1s28 h LYS 126 N 0.51 0.06 -2.01 1.57 3.64 0.23 -2.95 116.57 117.62 1s28 h LYS 126 Ca 0.06 -0.02 -0.25 0.00 -1.27 0.00 0.00 60.65 59.18 1s28 h LYS 126 Cb 0.78 -0.01 -0.09 0.00 -0.41 0.00 0.00 32.23 32.50 1s28 h LYS 126 CO 0.06 0.33 -0.22 1.63 -2.27 0.00 0.00 179.45 178.98 1s28 n LYS 127 N -4.91 2.08 0.00 1.90 5.02 -0.42 -1.47 118.16 120.36 1s28 n LYS 127 Ca -0.07 -1.25 0.00 0.00 -2.02 0.00 0.00 58.31 54.97 1s28 n LYS 127 Cb 0.17 -2.03 0.00 0.00 -0.02 0.00 0.00 35.03 33.15 1s28 n LYS 127 CO 0.00 0.00 0.00 2.41 -0.52 0.00 0.00 177.40 179.29 1s28 n THR 128 N 2.22 0.00 0.08 -0.18 -1.04 -1.20 -4.93 114.28 109.23 1s28 n THR 128 Ca 0.44 0.00 0.08 0.00 -2.04 0.00 0.00 64.05 62.53 1s28 n THR 128 Cb 0.85 -0.09 -0.12 0.00 -1.82 0.00 0.00 70.33 69.15 1s28 n THR 128 CO 0.00 0.00 0.00 0.49 -0.64 0.00 0.00 175.07 174.92 1s28 n PHE 129 N -2.26 0.00 0.00 -1.42 3.01 -1.12 -5.14 117.46 110.53 1s28 n PHE 129 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.46 1s28 n PHE 129 Cb 0.00 -0.32 0.00 0.00 -0.01 0.00 0.00 39.48 39.15 1s28 n PHE 129 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18