#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x25 n HIS 0 N 0.00 0.00 -2.23 0.66 -0.00 -1.26 -4.81 115.22 107.58 1x25 n HIS 0 Ca 0.00 0.00 -0.42 0.00 -0.00 0.00 0.00 57.72 57.30 1x25 n HIS 0 Cb 0.00 -0.07 -0.03 0.00 -0.00 0.00 0.00 29.99 29.89 1x25 n HIS 0 CO 0.00 0.00 0.00 1.41 -0.00 0.00 0.00 176.34 177.75 1x25 s MET 1 N -2.15 4.33 -0.03 -0.41 -2.45 -1.26 -4.11 119.30 113.22 1x25 s MET 1 Ca 0.42 1.99 0.04 0.00 -1.25 0.00 0.00 55.69 56.89 1x25 s MET 1 Cb 0.21 -3.36 -0.00 0.00 1.25 0.00 0.00 34.83 32.93 1x25 s MET 1 CO 0.39 -0.44 -0.15 -1.21 1.05 0.00 0.00 175.02 174.66 1x25 s GLU 2 N 1.45 1.45 0.28 4.11 2.02 0.12 -4.98 118.70 123.16 1x25 s GLU 2 Ca 0.63 -0.52 -0.29 0.00 0.02 0.00 0.00 54.97 54.81 1x25 s GLU 2 Cb -0.34 -1.31 -0.09 0.00 0.10 0.00 0.00 34.13 32.49 1x25 s GLU 2 CO 0.29 0.24 1.05 0.99 0.02 0.00 0.00 175.26 177.85 1x25 s THR 3 N -0.04 3.66 -0.12 3.63 2.01 -1.26 -0.79 115.64 122.72 1x25 s THR 3 Ca -0.01 1.63 -0.01 0.00 0.31 0.00 0.00 61.69 63.61 1x25 s THR 3 Cb -0.09 -4.02 -0.02 0.00 0.01 0.00 0.00 72.50 68.37 1x25 s THR 3 CO 0.01 0.36 -0.08 -0.69 -0.69 0.00 0.00 174.62 173.53 1x25 s VAL 4 N -1.21 3.51 -0.02 3.82 1.01 -0.16 -4.90 120.40 122.45 1x25 s VAL 4 Ca 0.45 -0.51 0.00 0.00 0.00 0.00 0.00 61.98 61.92 1x25 s VAL 4 Cb -0.29 -2.49 0.03 0.00 0.00 0.00 0.00 36.38 33.62 1x25 s VAL 4 CO 0.37 0.53 0.03 0.12 0.00 0.00 0.00 175.10 176.15 1x25 s PHE 5 N 0.09 0.04 -0.01 5.22 5.36 -1.26 -3.61 117.98 123.82 1x25 s PHE 5 Ca -0.03 0.11 0.03 0.00 -0.96 0.00 0.00 56.93 56.08 1x25 s PHE 5 Cb -0.14 -0.23 -0.01 0.00 -0.34 0.00 0.00 43.02 42.31 1x25 s PHE 5 CO 0.04 -0.08 -0.09 -0.08 -1.46 0.00 0.00 175.22 173.55 1x25 s THR 6 N 0.97 0.68 -0.80 0.12 -1.32 -1.26 -5.01 115.64 109.03 1x25 s THR 6 Ca -0.08 -0.36 0.17 0.00 -1.21 0.00 0.00 61.69 60.21 1x25 s THR 6 Cb -0.12 -0.58 0.16 0.00 -1.51 0.00 0.00 72.50 70.45 1x25 s THR 6 CO -0.03 0.20 1.53 -0.62 -2.21 0.00 0.00 174.62 173.49 1x25 n GLU 7 N 2.93 0.07 -0.01 7.08 1.02 -1.26 -2.98 120.64 127.50 1x25 n GLU 7 Ca -0.14 0.33 0.12 0.00 -0.02 0.00 0.00 57.16 57.45 1x25 n GLU 7 Cb 0.57 -1.64 0.66 0.00 -0.02 0.00 0.00 31.44 31.00 1x25 n GLU 7 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1x25 n LYS 8 N -1.78 1.11 -4.21 3.49 5.02 -1.26 -4.82 118.16 115.72 1x25 n LYS 8 Ca 0.03 -0.17 -0.12 0.00 -2.02 0.00 0.00 58.31 56.02 1x25 n LYS 8 Cb 0.18 -1.38 -0.10 0.00 -0.02 0.00 0.00 35.03 33.71 1x25 n LYS 8 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1x25 s ALA 9 N -1.98 1.19 0.19 7.82 0.00 -1.16 -4.84 121.76 122.99 1x25 s ALA 9 Ca 0.35 -1.48 -0.33 0.00 0.00 0.00 0.00 51.96 50.51 1x25 s ALA 9 Cb 0.17 0.34 -0.14 0.00 0.00 0.00 0.00 23.12 23.49 1x25 s ALA 9 CO 0.28 -0.26 1.50 -2.30 0.00 0.00 0.00 175.76 174.97 1x25 n PRO 10 N -0.15 2.07 -2.26 0.00 -0.02 -1.26 -4.85 135.00 128.53 1x25 n PRO 10 Ca -0.09 0.74 -0.42 0.00 -2.02 0.00 0.00 63.50 61.71 1x25 n PRO 10 Cb 0.62 -2.46 -0.03 0.00 -0.02 0.00 0.00 33.50 31.61 1x25 n PRO 10 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 1x25 s LYS 11 N 0.33 4.30 0.14 -0.52 2.20 -1.26 -4.95 119.74 119.99 1x25 s LYS 11 Ca 0.74 1.93 -0.32 0.00 -0.36 0.00 0.00 55.97 57.96 1x25 s LYS 11 Cb -0.68 -3.52 -0.12 0.00 -1.51 0.00 0.00 37.83 32.01 1x25 s LYS 11 CO 0.43 -0.52 1.75 -0.35 -0.36 0.00 0.00 175.35 176.30 1x25 n PRO 12 N 5.09 2.59 -3.74 4.03 -0.04 -1.26 -4.96 135.00 136.71 1x25 n PRO 12 Ca 0.12 0.94 -0.37 0.00 -0.04 0.00 0.00 63.50 64.15 1x25 n PRO 12 Cb 0.44 -2.79 -0.11 0.00 -0.04 0.00 0.00 33.50 31.00 1x25 n PRO 12 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 1x25 s VAL 13 N 1.94 3.46 -0.15 0.52 -7.23 -1.26 -5.03 120.40 112.65 1x25 s VAL 13 Ca 0.80 -1.95 0.00 0.00 -1.81 0.00 0.00 61.98 59.02 1x25 s VAL 13 Cb -0.55 -3.33 0.00 0.00 0.56 0.00 0.00 36.38 33.06 1x25 s VAL 13 CO 0.37 -0.67 0.00 0.61 -0.31 0.00 0.00 175.10 175.10 1x25 n GLY 14 N 4.66 0.28 2.56 2.32 0.00 -1.26 -4.89 105.19 108.86 1x25 n GLY 14 Ca -0.04 -2.29 -0.41 0.00 0.00 0.00 0.00 46.02 43.28 1x25 n GLY 14 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1x25 n PRO 15 N 0.00 3.72 -3.65 1.61 -0.04 -1.26 -4.83 135.00 130.55 1x25 n PRO 15 Ca 0.00 -2.88 -0.12 0.00 -0.04 0.00 0.00 63.50 60.46 1x25 n PRO 15 Cb 0.00 -2.89 -0.06 0.00 -0.04 0.00 0.00 33.50 30.51 1x25 n PRO 15 CO 0.00 0.00 0.00 1.52 -0.04 0.00 0.00 175.50 176.98 1x25 s TYR 16 N 1.19 -0.25 0.08 0.54 -0.85 -1.26 -5.18 117.35 111.63 1x25 s TYR 16 Ca 0.54 0.12 0.03 0.00 -0.52 0.00 0.00 57.07 57.25 1x25 s TYR 16 Cb 0.15 0.23 -0.04 0.00 0.38 0.00 0.00 41.96 42.69 1x25 s TYR 16 CO -0.06 -0.61 0.07 -1.12 -1.52 0.00 0.00 175.55 172.30 1x25 s SER 17 N -2.25 5.46 0.25 -0.18 0.01 -1.26 -4.84 113.70 110.88 1x25 s SER 17 Ca -0.03 -0.03 -0.04 0.00 1.31 0.00 0.00 55.95 57.17 1x25 s SER 17 Cb 0.00 -1.44 0.43 0.00 0.21 0.00 0.00 66.02 65.21 1x25 s SER 17 CO -0.05 0.17 1.80 1.56 0.41 0.00 0.00 173.24 177.13 1x25 h GLN 18 N 3.33 0.71 -3.24 12.44 4.20 -1.93 -3.40 115.11 127.22 1x25 h GLN 18 Ca -0.47 -0.04 -0.02 0.00 0.06 0.00 0.00 58.65 58.18 1x25 h GLN 18 Cb 1.16 -0.16 -0.11 0.00 0.30 0.00 0.00 27.48 28.68 1x25 h GLN 18 CO 0.65 0.47 0.06 0.00 -0.67 0.00 0.00 178.83 179.34 1x25 s ALA 19 N -6.02 -1.09 -0.11 3.87 0.00 -1.24 -0.89 121.76 116.29 1x25 s ALA 19 Ca -0.12 -0.05 0.02 0.00 0.00 0.00 0.00 51.96 51.80 1x25 s ALA 19 Cb 0.20 0.83 0.02 0.00 0.00 0.00 0.00 23.12 24.17 1x25 s ALA 19 CO 0.78 -0.78 -0.14 0.42 0.00 0.00 0.00 175.76 176.03 1x25 s ILE 20 N -3.84 1.45 -0.15 0.00 -1.09 0.15 -0.98 121.20 116.73 1x25 s ILE 20 Ca 0.07 -0.61 -0.05 0.00 -2.23 0.00 0.00 60.65 57.82 1x25 s ILE 20 Cb -0.01 -1.34 -0.04 0.00 -1.58 0.00 0.00 42.46 39.50 1x25 s ILE 20 CO -0.06 0.43 0.04 -0.75 -1.23 0.00 0.00 174.94 173.37 1x25 s LYS 21 N 1.04 3.66 -0.30 2.79 2.20 0.03 -0.35 119.74 128.80 1x25 s LYS 21 Ca -0.06 -0.37 -0.01 0.00 -0.36 0.00 0.00 55.97 55.18 1x25 s LYS 21 Cb -0.15 -3.07 0.10 0.00 -1.51 0.00 0.00 37.83 33.20 1x25 s LYS 21 CO -0.02 0.41 0.09 0.08 -0.36 0.00 0.00 175.35 175.54 1x25 s VAL 22 N -0.03 0.88 0.00 4.02 1.01 0.16 0.15 120.40 126.59 1x25 s VAL 22 Ca 0.05 -1.34 0.00 0.00 0.00 0.00 0.00 61.98 60.69 1x25 s VAL 22 Cb -0.12 -1.64 0.00 0.00 0.00 0.00 0.00 36.38 34.62 1x25 s VAL 22 CO 0.01 -0.63 0.00 0.61 0.00 0.00 0.00 175.10 175.10 1x25 n GLY 23 N 4.85 3.77 0.71 4.51 0.00 -1.26 -1.60 105.19 116.18 1x25 n GLY 23 Ca -0.03 0.19 0.06 0.00 0.00 0.00 0.00 46.02 46.23 1x25 n GLY 23 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1x25 n ASN 24 N 6.94 2.05 -4.40 1.61 3.02 -1.26 -4.83 115.26 118.39 1x25 n ASN 24 Ca 0.00 -2.04 -0.32 0.00 -0.03 0.00 0.00 54.58 52.18 1x25 n ASN 24 Cb 0.00 -0.27 -0.14 0.00 -0.61 0.00 0.00 39.78 38.75 1x25 n ASN 24 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 1x25 s THR 25 N -1.55 2.83 -0.10 3.41 2.01 -0.63 -0.90 115.64 120.72 1x25 s THR 25 Ca 0.24 -0.78 0.03 0.00 0.31 0.00 0.00 61.69 61.49 1x25 s THR 25 Cb 0.13 -2.12 0.01 0.00 0.01 0.00 0.00 72.50 70.53 1x25 s THR 25 CO 0.15 0.57 -0.20 -0.22 -0.69 0.00 0.00 174.62 174.23 1x25 s LEU 26 N -0.28 1.93 -0.28 4.42 2.96 -0.24 -0.66 118.68 126.53 1x25 s LEU 26 Ca 0.01 -0.48 -0.08 0.00 -0.22 0.00 0.00 54.13 53.36 1x25 s LEU 26 Cb -0.13 -1.22 -0.01 0.00 0.50 0.00 0.00 46.19 45.32 1x25 s LEU 26 CO 0.03 0.10 0.09 -0.31 -1.32 0.00 0.00 176.35 174.94 1x25 s TYR 27 N 0.56 3.12 -0.16 5.38 2.02 0.52 -0.75 117.35 128.05 1x25 s TYR 27 Ca -0.15 -0.60 -0.04 0.00 -0.37 0.00 0.00 57.07 55.91 1x25 s TYR 27 Cb -0.17 -2.27 -0.03 0.00 -0.40 0.00 0.00 41.96 39.09 1x25 s TYR 27 CO 0.05 -0.44 -0.03 0.08 -1.57 0.00 0.00 175.55 173.64 1x25 s VAL 28 N 1.59 3.95 0.78 0.71 1.01 -0.25 -0.68 120.40 127.51 1x25 s VAL 28 Ca 0.05 -0.34 -0.15 0.00 0.00 0.00 0.00 61.98 61.55 1x25 s VAL 28 Cb -0.16 -2.74 0.02 0.00 0.00 0.00 0.00 36.38 33.50 1x25 s VAL 28 CO 0.04 0.49 0.80 -1.20 0.00 0.00 0.00 175.10 175.22 1x25 n SER 29 N 3.58 -0.33 -4.61 3.32 7.64 -0.07 -3.16 113.62 119.99 1x25 n SER 29 Ca -0.17 0.57 -0.43 0.00 1.01 0.00 0.00 58.87 59.85 1x25 n SER 29 Cb 0.52 -1.34 -0.03 0.00 -1.01 0.00 0.00 64.21 62.36 1x25 n SER 29 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1x25 s GLY 30 N -1.77 0.86 0.14 0.23 0.00 -1.26 -4.42 107.32 101.09 1x25 s GLY 30 Ca 0.68 0.68 -0.18 0.00 0.00 0.00 0.00 44.72 45.90 1x25 s GLY 30 CO 0.56 3.47 0.61 1.20 0.00 0.00 0.00 173.10 178.93 1x25 s GLN 31 N 5.58 4.15 0.39 2.90 -1.52 0.11 -4.80 119.66 126.47 1x25 s GLN 31 Ca 0.88 0.70 0.08 0.00 -1.95 0.00 0.00 55.36 55.07 1x25 s GLN 31 Cb -0.30 -3.05 -0.06 0.00 -0.22 0.00 0.00 33.01 29.38 1x25 s GLN 31 CO 0.35 0.53 0.12 0.96 -0.25 0.00 0.00 175.29 176.99 1x25 s ILE 32 N -1.33 2.35 0.00 1.08 -4.36 -1.26 -1.78 121.20 115.90 1x25 s ILE 32 Ca 0.35 -1.80 -0.01 0.00 -0.26 0.00 0.00 60.65 58.93 1x25 s ILE 32 Cb -0.17 -2.96 -0.04 0.00 1.25 0.00 0.00 42.46 40.53 1x25 s ILE 32 CO 0.20 -0.05 1.51 -2.65 0.24 0.00 0.00 174.94 174.19 1x25 n PRO 33 N -1.13 0.76 -2.58 0.37 -0.02 -1.26 -4.54 135.00 126.59 1x25 n PRO 33 Ca -0.02 -0.16 -0.42 0.00 -2.02 0.00 0.00 63.50 60.87 1x25 n PRO 33 Cb 0.64 -1.37 -0.03 0.00 -0.02 0.00 0.00 33.50 32.73 1x25 n PRO 33 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 1x25 s ILE 34 N 1.09 4.50 -0.23 4.25 1.01 -1.26 -0.69 121.20 129.87 1x25 s ILE 34 Ca 0.11 1.80 -0.29 0.00 0.00 0.00 0.00 60.65 62.26 1x25 s ILE 34 Cb 0.05 -4.15 0.00 0.00 0.01 0.00 0.00 42.46 38.37 1x25 s ILE 34 CO 0.00 0.10 1.16 -0.62 0.00 0.00 0.00 174.94 175.58 1x25 s ASP 35 N 1.12 6.96 0.48 3.58 -1.08 -0.44 -4.74 116.67 122.55 1x25 s ASP 35 Ca 0.54 1.43 0.32 0.00 -0.52 0.00 0.00 52.55 54.32 1x25 s ASP 35 Cb -0.24 -2.54 1.72 0.00 -1.46 0.00 0.00 42.92 40.41 1x25 s ASP 35 CO 0.26 -0.79 1.99 1.55 0.52 0.00 0.00 175.17 178.70 1x25 h PRO 36 N 8.06 0.00 -0.12 4.34 0.13 -1.88 0.29 132.00 142.82 1x25 h PRO 36 Ca -0.23 0.00 -0.20 0.00 -0.87 0.00 0.00 66.00 64.70 1x25 h PRO 36 Cb 1.08 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.21 1x25 h PRO 36 CO 0.99 0.00 -0.74 -0.09 -0.23 0.00 0.00 178.00 177.93 1x25 h ARG 37 N 0.00 0.57 0.00 0.86 2.43 -1.92 -3.34 114.38 112.99 1x25 h ARG 37 Ca 0.00 -0.46 0.00 0.00 -0.81 0.00 0.00 59.98 58.71 1x25 h ARG 37 Cb 0.04 0.09 0.00 0.00 -0.42 0.00 0.00 29.97 29.69 1x25 h ARG 37 CO 0.00 1.09 -1.16 0.25 -1.51 0.00 0.00 179.97 178.64 1x25 n THR 38 N -3.88 0.00 -1.65 0.20 -2.24 -0.77 -5.00 114.28 100.94 1x25 n THR 38 Ca -0.06 -0.26 -0.21 0.00 -2.27 0.00 0.00 64.05 61.26 1x25 n THR 38 Cb 0.72 0.53 -0.09 0.00 -2.10 0.00 0.00 70.33 69.40 1x25 n THR 38 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 1x25 n ASN 39 N -1.66 -5.55 -4.34 3.42 4.05 0.95 -5.00 115.26 107.14 1x25 n ASN 39 Ca -0.00 0.49 -0.18 0.00 0.45 0.00 0.00 54.58 55.34 1x25 n ASN 39 Cb 0.26 -4.87 -0.10 0.00 1.23 0.00 0.00 39.78 36.30 1x25 n ASN 39 CO 0.00 0.00 0.00 -1.61 -3.05 0.00 0.00 177.26 172.60 1x25 s GLU 40 N -3.84 1.32 0.41 1.20 2.02 -1.25 -4.91 118.70 113.66 1x25 s GLU 40 Ca 0.00 -1.63 -0.27 0.00 0.02 0.00 0.00 54.97 53.10 1x25 s GLU 40 Cb 0.00 -0.90 -0.10 0.00 0.10 0.00 0.00 34.13 33.23 1x25 s GLU 40 CO 0.00 0.06 1.43 -0.89 0.02 0.00 0.00 175.26 175.88 1x25 n ILE 41 N -0.40 2.41 -2.48 -1.63 2.08 -1.26 -1.32 119.36 116.75 1x25 n ILE 41 Ca -0.07 -0.50 -0.36 0.00 0.56 0.00 0.00 62.75 62.38 1x25 n ILE 41 Cb 0.62 -1.85 -0.03 0.00 -0.75 0.00 0.00 39.64 37.63 1x25 n ILE 41 CO 0.00 0.00 0.00 0.68 0.56 0.00 0.00 176.55 177.79 1x25 s VAL 42 N -1.16 3.61 0.16 1.39 -7.23 0.13 -4.80 120.40 112.50 1x25 s VAL 42 Ca 0.58 1.18 -0.30 0.00 -1.81 0.00 0.00 61.98 61.62 1x25 s VAL 42 Cb -0.47 -3.58 -0.07 0.00 0.56 0.00 0.00 36.38 32.81 1x25 s VAL 42 CO 0.60 -0.04 1.13 -0.54 -0.31 0.00 0.00 175.10 175.94 1x25 s LYS 43 N -2.68 4.55 0.00 4.82 -0.14 -1.26 -4.89 119.74 120.14 1x25 s LYS 43 Ca 0.61 1.75 0.00 0.00 -1.36 0.00 0.00 55.97 56.97 1x25 s LYS 43 Cb -0.22 -3.28 0.00 0.00 -1.68 0.00 0.00 37.83 32.65 1x25 s LYS 43 CO 0.27 -0.01 0.00 0.41 -0.76 0.00 0.00 175.35 175.27 1x25 n GLY 44 N 2.24 1.63 0.21 -3.33 0.00 -1.26 -4.90 105.19 99.79 1x25 n GLY 44 Ca 0.04 -1.85 -0.01 0.00 0.00 0.00 0.00 46.02 44.20 1x25 n GLY 44 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1x25 n ASP 45 N 0.00 0.03 -0.25 1.61 5.68 -1.26 -4.71 116.55 117.64 1x25 n ASP 45 Ca 0.00 -1.04 0.16 0.00 -0.50 0.00 0.00 54.79 53.41 1x25 n ASP 45 Cb 0.00 -0.05 0.45 0.00 -1.14 0.00 0.00 41.12 40.39 1x25 n ASP 45 CO 0.00 0.00 0.00 -0.29 -1.33 0.00 0.00 177.20 175.58 1x25 h ILE 46 N -0.80 0.73 -0.16 2.12 6.09 -1.98 -0.64 117.51 122.87 1x25 h ILE 46 Ca -0.02 -0.18 -0.04 0.00 -1.37 0.00 0.00 64.86 63.25 1x25 h ILE 46 Cb 0.07 0.16 -0.01 0.00 0.47 0.00 0.00 36.82 37.52 1x25 h ILE 46 CO 0.02 0.10 -0.04 0.11 -3.07 0.00 0.00 178.15 175.26 1x25 h LYS 47 N 0.52 0.32 -0.65 2.19 1.57 -1.93 0.12 116.57 118.72 1x25 h LYS 47 Ca 0.47 -0.12 -0.03 0.00 -1.87 0.00 0.00 60.65 59.10 1x25 h LYS 47 Cb 0.99 -0.02 -0.03 0.00 0.08 0.00 0.00 32.23 33.25 1x25 h LYS 47 CO -0.20 0.59 0.30 0.28 -0.57 0.00 0.00 179.45 179.85 1x25 h VAL 48 N 0.02 1.23 -0.59 0.50 2.07 -1.78 -1.19 116.25 116.51 1x25 h VAL 48 Ca 0.04 -0.66 -0.10 0.00 0.82 0.00 0.00 66.70 66.81 1x25 h VAL 48 Cb 0.47 0.45 -0.02 0.00 -1.52 0.00 0.00 31.29 30.68 1x25 h VAL 48 CO 0.02 0.27 -0.02 1.56 0.02 0.00 0.00 177.57 179.42 1x25 h GLN 49 N 0.90 1.04 -0.37 1.57 4.20 -1.05 -1.32 115.11 120.09 1x25 h GLN 49 Ca 0.22 -0.34 -0.06 0.00 0.06 0.00 0.00 58.65 58.54 1x25 h GLN 49 Cb 0.14 -0.09 -0.01 0.00 0.30 0.00 0.00 27.48 27.82 1x25 h GLN 49 CO -0.03 1.03 0.00 1.15 -0.67 0.00 0.00 178.83 180.31 1x25 h THR 50 N 0.95 1.26 -0.84 -0.54 2.02 -0.50 -0.97 112.91 114.29 1x25 h THR 50 Ca 0.17 -0.99 0.00 0.00 0.77 0.00 0.00 66.41 66.36 1x25 h THR 50 Cb 0.57 1.17 -0.04 0.00 -1.74 0.00 0.00 68.15 68.11 1x25 h THR 50 CO 0.03 0.33 0.53 -0.09 0.37 0.00 0.00 175.52 176.69 1x25 h ARG 51 N 0.47 1.12 -0.45 6.66 2.43 -1.12 -1.34 114.38 122.15 1x25 h ARG 51 Ca 0.10 -0.08 -0.06 0.00 -0.81 0.00 0.00 59.98 59.13 1x25 h ARG 51 Cb 0.46 -0.24 -0.02 0.00 -0.42 0.00 0.00 29.97 29.75 1x25 h ARG 51 CO 0.02 0.76 0.03 0.37 -1.51 0.00 0.00 179.97 179.64 1x25 h GLN 52 N 1.14 0.77 -0.33 0.20 5.75 -0.81 -1.39 115.11 120.45 1x25 h GLN 52 Ca 0.30 -0.23 -0.00 0.00 -0.15 0.00 0.00 58.65 58.57 1x25 h GLN 52 Cb -0.09 -0.08 -0.02 0.00 1.07 0.00 0.00 27.48 28.36 1x25 h GLN 52 CO -0.06 0.82 0.21 0.28 -2.65 0.00 0.00 178.83 177.43 1x25 h VAL 53 N 0.63 1.11 -0.14 2.39 2.07 -0.80 -0.76 116.25 120.74 1x25 h VAL 53 Ca 0.13 -0.23 -0.14 0.00 0.82 0.00 0.00 66.70 67.28 1x25 h VAL 53 Cb 0.45 0.66 -0.01 0.00 -1.52 0.00 0.00 31.29 30.87 1x25 h VAL 53 CO 0.02 0.10 -0.50 -0.07 0.02 0.00 0.00 177.57 177.14 1x25 h LEU 54 N 0.44 0.42 -0.55 2.57 3.38 -1.20 -0.62 115.31 119.75 1x25 h LEU 54 Ca 0.12 -0.21 -0.06 0.00 0.09 0.00 0.00 57.88 57.82 1x25 h LEU 54 Cb -0.01 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 40.60 1x25 h LEU 54 CO -0.02 0.85 0.11 0.44 0.09 0.00 0.00 178.44 179.90 1x25 h ASP 55 N 0.31 0.85 -0.47 -0.43 3.32 -1.13 0.39 116.42 119.25 1x25 h ASP 55 Ca 0.01 -0.25 0.03 0.00 0.02 0.00 0.00 57.03 56.85 1x25 h ASP 55 Cb 0.98 -0.23 -0.04 0.00 0.22 0.00 0.00 39.33 40.27 1x25 h ASP 55 CO 0.08 0.88 0.26 0.78 -1.72 0.00 0.00 179.24 179.53 1x25 h ASN 56 N 0.79 0.40 -0.45 6.45 2.35 -0.78 -1.14 115.58 123.20 1x25 h ASN 56 Ca 0.17 0.01 -0.08 0.00 -0.55 0.00 0.00 56.30 55.85 1x25 h ASN 56 Cb 0.38 -0.07 -0.02 0.00 0.05 0.00 0.00 38.32 38.66 1x25 h ASN 56 CO 0.01 0.29 -0.02 0.40 -1.65 0.00 0.00 177.43 176.45 1x25 h ILE 57 N 0.52 1.26 -0.71 2.81 2.04 -0.84 -2.24 117.51 120.35 1x25 h ILE 57 Ca 0.20 -1.08 0.04 0.00 1.00 0.00 0.00 64.86 65.01 1x25 h ILE 57 Cb 0.06 1.07 -0.05 0.00 -0.74 0.00 0.00 36.82 37.16 1x25 h ILE 57 CO -0.11 0.37 0.44 0.50 0.00 0.00 0.00 178.15 179.35 1x25 h LYS 58 N 0.65 0.82 -0.34 2.37 3.64 0.04 -0.37 116.57 123.38 1x25 h LYS 58 Ca 0.12 -0.05 -0.10 0.00 -1.27 0.00 0.00 60.65 59.35 1x25 h LYS 58 Cb 0.53 -0.19 -0.01 0.00 -0.41 0.00 0.00 32.23 32.15 1x25 h LYS 58 CO 0.03 0.54 -0.21 0.93 -2.27 0.00 0.00 179.45 178.48 1x25 h GLU 59 N 0.85 0.65 -0.09 1.90 4.39 -0.99 -0.41 114.58 120.87 1x25 h GLU 59 Ca 0.29 -0.24 -0.01 0.00 0.34 0.00 0.00 59.36 59.74 1x25 h GLU 59 Cb 0.05 -0.04 -0.00 0.00 -0.10 0.00 0.00 28.75 28.66 1x25 h GLU 59 CO -0.12 0.81 0.01 0.82 -1.16 0.00 0.00 179.01 179.37 1x25 h ILE 60 N 0.57 1.23 -0.33 3.13 2.04 -0.89 -0.42 117.51 122.84 1x25 h ILE 60 Ca 0.09 -0.70 0.02 0.00 1.00 0.00 0.00 64.86 65.26 1x25 h ILE 60 Cb 0.67 1.52 -0.02 0.00 -0.74 0.00 0.00 36.82 38.25 1x25 h ILE 60 CO 0.05 0.20 0.18 0.58 0.00 0.00 0.00 178.15 179.16 1x25 h VAL 61 N -0.10 1.02 -0.43 1.67 2.07 -0.98 -2.30 116.25 117.20 1x25 h VAL 61 Ca 0.03 -0.13 -0.08 0.00 0.82 0.00 0.00 66.70 67.34 1x25 h VAL 61 Cb 0.30 0.61 -0.01 0.00 -1.52 0.00 0.00 31.29 30.66 1x25 h VAL 61 CO 0.00 0.07 -0.04 0.11 0.02 0.00 0.00 177.57 177.73 1x25 h LYS 62 N 0.38 0.79 -0.76 1.57 1.57 -1.04 -0.81 116.57 118.26 1x25 h LYS 62 Ca 0.13 -0.27 0.18 0.00 -1.87 0.00 0.00 60.65 58.83 1x25 h LYS 62 Cb 0.02 -0.06 -0.04 0.00 0.08 0.00 0.00 32.23 32.22 1x25 h LYS 62 CO -0.07 0.88 0.52 0.00 -0.57 0.00 0.00 179.45 180.21 1x25 h ALA 63 N 0.88 2.37 -0.01 3.86 0.00 -0.88 -1.35 119.26 124.13 1x25 h ALA 63 Ca 0.12 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.02 1x25 h ALA 63 Cb 0.55 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.33 1x25 h ALA 63 CO 0.03 -0.59 -0.04 0.00 0.00 0.00 0.00 179.25 178.65 1x25 n ALA 64 N -2.59 2.68 -0.83 0.00 0.00 -0.84 -4.89 120.51 114.05 1x25 n ALA 64 Ca 0.15 -0.29 0.00 0.00 0.00 0.00 0.00 53.44 53.30 1x25 n ALA 64 Cb 0.67 -1.36 0.00 0.00 0.00 0.00 0.00 19.45 18.76 1x25 n ALA 64 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1x25 n GLY 65 N 1.15 0.49 3.84 0.00 0.00 -0.51 -5.06 105.19 105.10 1x25 n GLY 65 Ca 0.19 -0.90 -0.29 0.00 0.00 0.00 0.00 46.02 45.02 1x25 n GLY 65 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1x25 s PHE 66 N -2.00 1.79 0.15 1.61 0.08 -0.37 -5.02 117.98 114.22 1x25 s PHE 66 Ca 0.00 -0.86 0.00 0.00 0.12 0.00 0.00 56.93 56.19 1x25 s PHE 66 Cb 0.00 -1.81 -0.04 0.00 -0.57 0.00 0.00 43.02 40.60 1x25 s PHE 66 CO 0.00 -0.17 0.03 -1.54 -0.10 0.00 0.00 175.22 173.44 1x25 s SER 67 N -4.11 0.76 0.54 1.36 1.04 -1.26 -3.51 113.70 108.53 1x25 s SER 67 Ca 0.24 -1.19 0.21 0.00 0.48 0.00 0.00 55.95 55.70 1x25 s SER 67 Cb -0.00 0.21 1.42 0.00 0.10 0.00 0.00 66.02 67.74 1x25 s SER 67 CO 0.15 -0.65 2.13 -0.07 0.98 0.00 0.00 173.24 175.77 1x25 h LEU 68 N 2.79 0.00 -2.64 2.42 3.38 -1.93 0.25 115.31 119.57 1x25 h LEU 68 Ca -0.36 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.61 1x25 h LEU 68 Cb 1.20 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.95 1x25 h LEU 68 CO 0.61 0.00 0.06 0.28 0.09 0.00 0.00 178.44 179.48 1x25 h SER 69 N 0.00 0.00 0.14 -0.43 0.02 -1.94 -1.82 113.55 109.51 1x25 h SER 69 Ca 0.06 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.01 1x25 h SER 69 Cb 0.27 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.81 1x25 h SER 69 CO -0.00 0.00 -0.19 0.47 -1.14 0.00 0.00 176.83 175.97 1x25 n ASP 70 N -2.95 1.29 -4.65 3.07 8.00 0.86 -4.87 116.55 117.31 1x25 n ASP 70 Ca -0.03 -1.14 -0.42 0.00 0.71 0.00 0.00 54.79 53.91 1x25 n ASP 70 Cb 0.13 0.12 -0.03 0.00 -0.02 0.00 0.00 41.12 41.31 1x25 n ASP 70 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1x25 s VAL 71 N -2.34 3.61 -0.17 2.53 1.01 -0.69 -0.54 120.40 123.82 1x25 s VAL 71 Ca 0.28 0.73 0.08 0.00 0.00 0.00 0.00 61.98 63.07 1x25 s VAL 71 Cb 0.20 -3.51 -0.23 0.00 0.00 0.00 0.00 36.38 32.84 1x25 s VAL 71 CO 0.46 -0.11 0.18 0.00 0.00 0.00 0.00 175.10 175.63 1x25 n ALA 72 N 7.53 1.37 -3.72 5.51 0.00 -0.06 -4.18 120.51 126.95 1x25 n ALA 72 Ca 0.18 -1.01 -0.13 0.00 0.00 0.00 0.00 53.44 52.47 1x25 n ALA 72 Cb 0.43 -0.40 -0.14 0.00 0.00 0.00 0.00 19.45 19.35 1x25 n ALA 72 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 177.50 178.91 1x25 s MET 73 N -2.53 0.14 -0.06 0.00 1.75 -0.95 -1.14 119.30 116.50 1x25 s MET 73 Ca -0.18 0.50 0.05 0.00 -1.25 0.00 0.00 55.69 54.81 1x25 s MET 73 Cb 0.07 -0.15 -0.01 0.00 2.84 0.00 0.00 34.83 37.58 1x25 s MET 73 CO 0.76 -0.19 -0.22 0.00 -0.65 0.00 0.00 175.02 174.71 1x25 s ALA 74 N 1.45 2.30 -0.33 4.11 0.00 0.77 -1.24 121.76 128.82 1x25 s ALA 74 Ca -0.07 -1.02 -0.08 0.00 0.00 0.00 0.00 51.96 50.79 1x25 s ALA 74 Cb -0.11 -0.78 0.02 0.00 0.00 0.00 0.00 23.12 22.25 1x25 s ALA 74 CO -0.07 0.43 0.12 -0.06 0.00 0.00 0.00 175.76 176.18 1x25 s PHE 75 N -0.22 3.21 -0.19 0.00 0.08 0.22 -0.34 117.98 120.74 1x25 s PHE 75 Ca -0.01 -1.07 -0.02 0.00 0.12 0.00 0.00 56.93 55.94 1x25 s PHE 75 Cb -0.13 -2.31 -0.00 0.00 -0.57 0.00 0.00 43.02 40.00 1x25 s PHE 75 CO 0.03 -0.63 -0.10 0.08 -0.10 0.00 0.00 175.22 174.51 1x25 s VAL 76 N 1.49 3.03 -0.21 -0.44 1.01 0.16 -1.92 120.40 123.52 1x25 s VAL 76 Ca 0.01 -0.63 0.00 0.00 0.00 0.00 0.00 61.98 61.37 1x25 s VAL 76 Cb -0.18 -2.33 0.02 0.00 0.00 0.00 0.00 36.38 33.89 1x25 s VAL 76 CO 0.04 0.47 -0.14 -0.36 0.00 0.00 0.00 175.10 175.11 1x25 s PHE 77 N 1.13 2.93 -0.07 5.22 0.08 -0.25 -1.80 117.98 125.22 1x25 s PHE 77 Ca 0.01 -1.61 0.01 0.00 0.12 0.00 0.00 56.93 55.45 1x25 s PHE 77 Cb -0.14 -1.98 -0.03 0.00 -0.57 0.00 0.00 43.02 40.30 1x25 s PHE 77 CO -0.03 -0.76 -0.06 -0.51 -0.10 0.00 0.00 175.22 173.76 1x25 s LEU 78 N 1.30 3.20 0.36 -0.37 1.43 -0.40 -1.34 118.68 122.86 1x25 s LEU 78 Ca 0.02 -0.01 0.11 0.00 -1.03 0.00 0.00 54.13 53.22 1x25 s LEU 78 Cb -0.15 -1.70 0.69 0.00 0.03 0.00 0.00 46.19 45.07 1x25 s LEU 78 CO -0.09 0.36 1.83 0.50 0.23 0.00 0.00 176.35 179.18 1x25 h LYS 79 N 5.26 0.11 -2.45 1.70 3.64 -1.34 0.42 116.57 123.91 1x25 h LYS 79 Ca -0.49 -0.04 -0.32 0.00 -1.27 0.00 0.00 60.65 58.54 1x25 h LYS 79 Cb 1.17 -0.01 -0.35 0.00 -0.41 0.00 0.00 32.23 32.63 1x25 h LYS 79 CO 0.53 0.42 -0.62 0.34 -2.27 0.00 0.00 179.45 177.84 1x25 s ASP 80 N -6.91 1.43 0.64 4.20 -1.08 -1.26 -4.56 116.67 109.13 1x25 s ASP 80 Ca -0.04 -0.30 0.38 0.00 -0.52 0.00 0.00 52.55 52.07 1x25 s ASP 80 Cb 0.14 0.41 2.12 0.00 -1.46 0.00 0.00 42.92 44.13 1x25 s ASP 80 CO 0.74 -0.34 2.26 -0.03 0.52 0.00 0.00 175.17 178.31 1x25 h MET 81 N 8.30 0.00 0.00 4.34 1.85 -1.93 0.10 114.93 127.59 1x25 h MET 81 Ca -0.17 0.00 0.00 0.00 -0.61 0.00 0.00 59.70 58.92 1x25 h MET 81 Cb 1.14 0.00 0.00 0.00 0.43 0.00 0.00 31.60 33.17 1x25 h MET 81 CO 0.29 0.00 0.00 -0.91 -0.40 0.00 0.00 176.91 175.89 1x25 h ASN 82 N 0.00 0.00 -0.04 1.39 -0.26 -1.99 -1.88 115.58 112.80 1x25 h ASN 82 Ca 0.01 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.75 1x25 h ASN 82 Cb 0.16 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.42 1x25 h ASN 82 CO -0.00 0.00 0.00 0.23 -1.06 0.00 0.00 177.43 176.60 1x25 n MET 83 N -2.69 1.28 0.02 0.81 2.81 0.02 -4.40 117.12 114.98 1x25 n MET 83 Ca 0.00 -0.41 -0.11 0.00 -1.81 0.00 0.00 57.70 55.37 1x25 n MET 83 Cb 0.20 -1.40 -0.06 0.00 -0.71 0.00 0.00 33.22 31.26 1x25 n MET 83 CO 0.00 0.00 0.00 0.35 1.51 0.00 0.00 175.97 177.83 1x25 h PHE 84 N 0.91 -0.06 -0.97 2.03 3.57 -1.49 -0.14 116.94 120.78 1x25 h PHE 84 Ca 0.00 0.01 0.06 0.00 3.53 0.00 0.00 57.97 61.56 1x25 h PHE 84 Cb 0.20 0.04 -0.06 0.00 2.79 0.00 0.00 35.95 38.91 1x25 h PHE 84 CO 0.02 -0.05 0.63 -0.91 -2.23 0.00 0.00 178.31 175.78 1x25 h ASN 85 N -0.03 1.02 -0.15 0.41 2.35 -1.83 0.16 115.58 117.52 1x25 h ASN 85 Ca 0.03 0.00 -0.08 0.00 -0.55 0.00 0.00 56.30 55.70 1x25 h ASN 85 Cb 0.07 -0.21 -0.00 0.00 0.05 0.00 0.00 38.32 38.23 1x25 h ASN 85 CO -0.07 0.66 -0.23 0.44 -1.65 0.00 0.00 177.43 176.59 1x25 h ASP 86 N 1.16 0.46 -0.74 5.81 3.32 -1.76 -2.03 116.42 122.64 1x25 h ASP 86 Ca 0.41 -0.53 0.12 0.00 0.02 0.00 0.00 57.03 57.05 1x25 h ASP 86 Cb 0.12 -0.13 -0.08 0.00 0.22 0.00 0.00 39.33 39.45 1x25 h ASP 86 CO -0.16 0.90 0.33 0.15 -1.72 0.00 0.00 179.24 178.74 1x25 h PHE 87 N 0.03 0.59 -0.34 4.55 3.57 -0.62 -2.79 116.94 121.92 1x25 h PHE 87 Ca 0.01 0.03 -0.10 0.00 3.53 0.00 0.00 57.97 61.44 1x25 h PHE 87 Cb 0.80 -0.15 -0.01 0.00 2.79 0.00 0.00 35.95 39.38 1x25 h PHE 87 CO 0.09 0.15 -0.22 -0.97 -2.23 0.00 0.00 178.31 175.14 1x25 h ASN 88 N 0.53 0.66 -0.36 0.41 -1.24 -0.51 -0.60 115.58 114.47 1x25 h ASN 88 Ca 0.39 -0.23 -0.06 0.00 0.71 0.00 0.00 56.30 57.11 1x25 h ASN 88 Cb 0.50 -0.18 -0.02 0.00 0.73 0.00 0.00 38.32 39.35 1x25 h ASN 88 CO -0.34 0.87 0.04 0.77 -1.29 0.00 0.00 177.43 177.48 1x25 h SER 89 N 0.58 0.67 0.05 1.15 4.64 -1.09 0.06 113.55 119.60 1x25 h SER 89 Ca 0.09 -0.14 -0.00 0.00 -0.47 0.00 0.00 61.79 61.27 1x25 h SER 89 Cb 0.68 -0.18 0.00 0.00 -0.31 0.00 0.00 62.40 62.60 1x25 h SER 89 CO 0.05 0.71 -0.02 0.58 -0.87 0.00 0.00 176.83 177.28 1x25 h VAL 90 N 0.67 1.32 -0.94 0.95 2.07 -1.41 -3.29 116.25 115.62 1x25 h VAL 90 Ca 0.14 -1.59 0.26 0.00 0.82 0.00 0.00 66.70 66.33 1x25 h VAL 90 Cb 0.36 2.30 -0.14 0.00 -1.52 0.00 0.00 31.29 32.30 1x25 h VAL 90 CO 0.01 0.38 0.43 0.22 0.02 0.00 0.00 177.57 178.63 1x25 h TYR 91 N -0.81 0.70 -0.06 1.57 3.20 -0.99 -0.97 116.97 119.60 1x25 h TYR 91 Ca -0.01 0.04 0.02 0.00 3.14 0.00 0.00 58.73 61.92 1x25 h TYR 91 Cb 0.66 -0.16 -0.00 0.00 1.54 0.00 0.00 36.73 38.77 1x25 h TYR 91 CO 0.16 -0.11 0.06 0.00 -1.64 0.00 0.00 178.16 176.63 1x25 h ALA 92 N 1.77 1.69 -0.08 1.82 0.00 -1.05 -0.19 119.26 123.23 1x25 h ALA 92 Ca 0.62 -0.00 -0.09 0.00 0.00 0.00 0.00 54.91 55.44 1x25 h ALA 92 Cb 1.27 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.05 1x25 h ALA 92 CO -0.58 -0.09 -0.36 0.93 0.00 0.00 0.00 179.25 179.15 1x25 h GLU 93 N 0.00 0.16 0.00 0.00 5.08 -1.27 -3.23 114.58 115.31 1x25 h GLU 93 Ca 0.03 -0.06 -0.06 0.00 -1.00 0.00 0.00 59.36 58.27 1x25 h GLU 93 Cb 0.15 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.38 1x25 h GLU 93 CO -0.00 0.50 -1.40 0.66 -1.00 0.00 0.00 179.01 177.77 1x25 n TYR 94 N -4.08 0.70 -3.54 4.33 4.01 -0.11 -4.60 117.16 113.88 1x25 n TYR 94 Ca -0.01 0.21 -0.27 0.00 -0.16 0.00 0.00 57.90 57.67 1x25 n TYR 94 Cb 0.43 -0.88 -0.10 0.00 -0.31 0.00 0.00 39.34 38.48 1x25 n TYR 94 CO 0.00 0.00 0.00 1.19 -0.46 0.00 0.00 176.86 177.59 1x25 n PHE 95 N -2.63 1.61 0.05 -0.72 3.72 -1.07 -4.88 117.46 113.55 1x25 n PHE 95 Ca -0.05 -3.88 -0.17 0.00 -0.05 0.00 0.00 57.45 53.30 1x25 n PHE 95 Cb 0.65 -0.33 -0.14 0.00 -0.94 0.00 0.00 39.48 38.72 1x25 n PHE 95 CO 0.00 0.00 0.00 0.87 -0.05 0.00 0.00 176.76 177.58 1x25 h LYS 96 N 4.94 0.25 -6.08 -1.08 1.57 -1.81 -3.42 116.57 110.93 1x25 h LYS 96 Ca 0.18 -0.42 -0.61 0.00 -1.87 0.00 0.00 60.65 57.92 1x25 h LYS 96 Cb 0.79 0.16 -0.30 0.00 0.08 0.00 0.00 32.23 32.97 1x25 h LYS 96 CO 0.61 1.10 -0.86 0.34 -0.57 0.00 0.00 179.45 180.07 1x25 s ASP 97 N -6.95 2.50 -1.28 0.86 -1.08 -1.26 -4.78 116.67 104.68 1x25 s ASP 97 Ca -0.11 -0.38 -0.07 0.00 -0.52 0.00 0.00 52.55 51.46 1x25 s ASP 97 Cb 0.07 -0.28 -0.00 0.00 -1.46 0.00 0.00 42.92 41.24 1x25 s ASP 97 CO 0.84 0.26 0.63 1.17 0.52 0.00 0.00 175.17 178.59 1x25 n LYS 98 N 2.56 -3.02 -1.97 4.34 4.81 -1.26 -4.86 118.16 118.75 1x25 n LYS 98 Ca -0.15 0.49 -0.36 0.00 -0.87 0.00 0.00 58.31 57.41 1x25 n LYS 98 Cb 0.53 -4.60 0.04 0.00 0.02 0.00 0.00 35.03 31.01 1x25 n LYS 98 CO 0.00 0.00 0.00 -1.25 1.17 0.00 0.00 177.40 177.32 1x25 s PRO 99 N -6.16 2.93 0.87 1.64 0.04 -1.26 -4.97 135.00 128.10 1x25 s PRO 99 Ca 0.17 1.88 -0.11 0.00 0.04 0.00 0.00 61.00 62.98 1x25 s PRO 99 Cb -0.06 -1.94 0.11 0.00 0.04 0.00 0.00 34.50 32.66 1x25 s PRO 99 CO 0.86 -1.25 1.10 -1.25 0.04 0.00 0.00 177.00 176.50 1x25 s PRO 100 N -3.30 1.45 0.58 0.56 0.04 -1.26 -5.00 135.00 128.06 1x25 s PRO 100 Ca 0.78 1.15 -0.21 0.00 0.04 0.00 0.00 61.00 62.76 1x25 s PRO 100 Cb -0.32 -1.81 -0.04 0.00 0.04 0.00 0.00 34.50 32.38 1x25 s PRO 100 CO 0.35 -2.21 1.33 0.00 0.04 0.00 0.00 177.00 176.51 1x25 n ALA 101 N -3.90 1.41 -2.93 8.56 0.00 -0.29 -4.85 120.51 118.50 1x25 n ALA 101 Ca 0.09 0.09 -0.12 0.00 0.00 0.00 0.00 53.44 53.50 1x25 n ALA 101 Cb 0.53 -2.34 -0.13 0.00 0.00 0.00 0.00 19.45 17.51 1x25 n ALA 101 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 1x25 s ARG 102 N -3.01 0.09 -0.11 0.00 3.52 -1.26 -0.16 118.95 118.01 1x25 s ARG 102 Ca 0.75 -0.02 0.03 0.00 -0.13 0.00 0.00 55.73 56.36 1x25 s ARG 102 Cb -0.41 0.04 -0.00 0.00 -1.56 0.00 0.00 34.95 33.02 1x25 s ARG 102 CO 0.47 -0.01 -0.21 0.08 -0.81 0.00 0.00 175.30 174.81 1x25 s VAL 103 N -0.17 2.28 -0.07 7.11 1.01 0.54 -4.95 120.40 126.16 1x25 s VAL 103 Ca -0.02 -0.93 -0.01 0.00 0.00 0.00 0.00 61.98 61.02 1x25 s VAL 103 Cb -0.02 -1.90 0.03 0.00 0.00 0.00 0.00 36.38 34.49 1x25 s VAL 103 CO 0.00 0.55 -0.00 -0.89 0.00 0.00 0.00 175.10 174.76 1x25 s THR 104 N 0.42 0.38 0.11 3.92 2.01 -1.26 0.35 115.64 121.58 1x25 s THR 104 Ca -0.15 0.10 -0.04 0.00 0.31 0.00 0.00 61.69 61.91 1x25 s THR 104 Cb -0.17 -0.53 -0.03 0.00 0.01 0.00 0.00 72.50 71.78 1x25 s THR 104 CO 0.07 0.25 0.10 0.68 -0.69 0.00 0.00 174.62 175.03 1x25 s VAL 105 N 1.86 0.13 -0.18 3.82 -7.23 -0.75 -5.02 120.40 113.04 1x25 s VAL 105 Ca 0.03 -1.67 -0.08 0.00 -1.81 0.00 0.00 61.98 58.45 1x25 s VAL 105 Cb -0.12 -1.76 -0.04 0.00 0.56 0.00 0.00 36.38 35.01 1x25 s VAL 105 CO -0.05 -0.60 0.09 -0.70 -0.31 0.00 0.00 175.10 173.53 1x25 s GLU 106 N -3.97 3.94 0.36 4.82 2.12 -1.26 -1.27 118.70 123.44 1x25 s GLU 106 Ca 0.15 -0.29 0.08 0.00 0.36 0.00 0.00 54.97 55.28 1x25 s GLU 106 Cb 0.06 -3.25 -0.04 0.00 0.26 0.00 0.00 34.13 31.16 1x25 s GLU 106 CO -0.04 0.36 0.20 0.14 -0.54 0.00 0.00 175.26 175.38 1x25 s VAL 107 N 0.15 2.92 -0.23 3.70 -7.23 0.14 -4.93 120.40 114.92 1x25 s VAL 107 Ca 0.06 -1.61 0.19 0.00 -1.81 0.00 0.00 61.98 58.82 1x25 s VAL 107 Cb -0.12 -3.01 0.07 0.00 0.56 0.00 0.00 36.38 33.88 1x25 s VAL 107 CO -0.00 -0.13 1.24 0.77 -0.31 0.00 0.00 175.10 176.67 1x25 h SER 108 N 1.42 0.00 -4.47 4.85 4.64 -1.87 -3.41 113.55 114.71 1x25 h SER 108 Ca -0.43 0.00 0.10 0.00 -0.47 0.00 0.00 61.79 60.99 1x25 h SER 108 Cb 1.25 0.00 -0.18 0.00 -0.31 0.00 0.00 62.40 63.16 1x25 h SER 108 CO 0.63 0.28 0.52 -0.60 -0.87 0.00 0.00 176.83 176.79 1x25 s ARG 109 N -3.11 0.73 0.22 4.77 3.52 -1.26 -5.04 118.95 118.79 1x25 s ARG 109 Ca 0.02 -0.13 0.05 0.00 -0.13 0.00 0.00 55.73 55.54 1x25 s ARG 109 Cb 0.08 0.34 -0.05 0.00 -1.56 0.00 0.00 34.95 33.75 1x25 s ARG 109 CO 0.75 -0.29 -0.05 -0.51 -0.81 0.00 0.00 175.30 174.39 1x25 s LEU 110 N -1.99 2.37 0.27 -0.88 1.43 -1.26 -5.05 118.68 113.56 1x25 s LEU 110 Ca 0.03 -1.15 -0.30 0.00 -1.03 0.00 0.00 54.13 51.67 1x25 s LEU 110 Cb -0.01 -0.42 -0.13 0.00 0.03 0.00 0.00 46.19 45.66 1x25 s LEU 110 CO -0.05 -0.40 1.31 -2.65 0.23 0.00 0.00 176.35 174.79 1x25 n PRO 111 N -0.42 1.92 -1.73 1.29 -0.02 -1.26 -1.37 135.00 133.42 1x25 n PRO 111 Ca -0.06 0.68 -0.20 0.00 -2.02 0.00 0.00 63.50 61.90 1x25 n PRO 111 Cb 0.63 -2.27 -0.07 0.00 -0.02 0.00 0.00 33.50 31.77 1x25 n PRO 111 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 1x25 n LYS 112 N 1.42 -1.42 -2.88 -0.52 5.02 -1.26 -2.24 118.16 116.27 1x25 n LYS 112 Ca 0.09 1.16 -0.19 0.00 -2.02 0.00 0.00 58.31 57.35 1x25 n LYS 112 Cb 0.32 -5.55 0.00 0.00 -0.02 0.00 0.00 35.03 29.79 1x25 n LYS 112 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 1x25 n ASP 113 N -1.32 -4.57 -4.61 4.39 8.00 -0.47 -4.95 116.55 113.02 1x25 n ASP 113 Ca -0.21 -0.14 -0.39 0.00 0.71 0.00 0.00 54.79 54.77 1x25 n ASP 113 Cb 0.66 -3.79 0.04 0.00 -0.02 0.00 0.00 41.12 38.01 1x25 n ASP 113 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1x25 n ALA 114 N -2.95 0.15 0.33 2.24 0.00 -0.95 -4.89 120.51 114.44 1x25 n ALA 114 Ca -0.10 0.06 0.13 0.00 0.00 0.00 0.00 53.44 53.53 1x25 n ALA 114 Cb 0.60 -2.09 0.37 0.00 0.00 0.00 0.00 19.45 18.32 1x25 n ALA 114 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1x25 h LEU 115 N 0.77 0.00 -7.00 0.00 3.38 -1.92 -3.40 115.31 107.14 1x25 h LEU 115 Ca -0.47 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.45 1x25 h LEU 115 Cb 1.36 0.00 -0.20 0.00 0.09 0.00 0.00 40.66 41.90 1x25 h LEU 115 CO 0.52 0.00 0.16 -0.51 0.09 0.00 0.00 178.44 178.70 1x25 s ILE 116 N -3.30 0.00 -0.01 1.22 2.07 -1.26 -1.08 121.20 118.84 1x25 s ILE 116 Ca 0.06 0.00 0.01 0.00 -1.41 0.00 0.00 60.65 59.31 1x25 s ILE 116 Cb 0.08 -1.00 0.00 0.00 0.13 0.00 0.00 42.46 41.67 1x25 s ILE 116 CO 0.60 0.00 -0.03 -0.70 -1.91 0.00 0.00 174.94 172.90 1x25 s GLU 117 N -0.26 0.28 -0.05 3.50 2.12 -0.45 -4.26 118.70 119.58 1x25 s GLU 117 Ca -0.04 -0.08 0.02 0.00 0.36 0.00 0.00 54.97 55.22 1x25 s GLU 117 Cb -0.03 -0.31 0.01 0.00 0.26 0.00 0.00 34.13 34.07 1x25 s GLU 117 CO 0.05 0.03 -0.09 0.42 -0.54 0.00 0.00 175.26 175.13 1x25 s ILE 118 N 0.13 0.85 0.11 -3.70 1.01 -0.73 -1.09 121.20 117.78 1x25 s ILE 118 Ca -0.01 -0.34 0.10 0.00 0.00 0.00 0.00 60.65 60.41 1x25 s ILE 118 Cb -0.04 -0.79 -0.04 0.00 0.01 0.00 0.00 42.46 41.61 1x25 s ILE 118 CO -0.00 0.28 -0.26 0.00 0.00 0.00 0.00 174.94 174.96 1x25 s ALA 119 N 0.59 2.40 0.06 9.38 0.00 -0.81 0.04 121.76 133.42 1x25 s ALA 119 Ca -0.10 -1.41 0.00 0.00 0.00 0.00 0.00 51.96 50.45 1x25 s ALA 119 Cb -0.13 -0.44 -0.04 0.00 0.00 0.00 0.00 23.12 22.51 1x25 s ALA 119 CO 0.02 0.55 -0.05 0.14 0.00 0.00 0.00 175.76 176.42 1x25 s VAL 120 N -1.02 0.38 -0.06 0.00 -7.23 -1.19 -0.61 120.40 110.67 1x25 s VAL 120 Ca 0.14 -1.62 0.05 0.00 -1.81 0.00 0.00 61.98 58.74 1x25 s VAL 120 Cb -0.10 -1.26 -0.01 0.00 0.56 0.00 0.00 36.38 35.57 1x25 s VAL 120 CO 0.06 -0.81 -0.23 -0.63 -0.31 0.00 0.00 175.10 173.17 1x25 s ILE 121 N -3.15 1.92 0.19 -0.62 1.01 -0.37 -1.10 121.20 119.08 1x25 s ILE 121 Ca 0.03 -0.98 0.10 0.00 0.00 0.00 0.00 60.65 59.80 1x25 s ILE 121 Cb 0.02 -1.64 -0.04 0.00 0.01 0.00 0.00 42.46 40.81 1x25 s ILE 121 CO -0.06 0.54 -0.21 0.00 0.00 0.00 0.00 174.94 175.21 1x25 s SER 123 N -2.76 0.13 0.00 0.00 0.15 0.30 -1.08 113.70 110.44 1x25 s SER 123 Ca 0.19 0.53 0.07 0.00 0.70 0.00 0.00 55.95 57.44 1x25 s SER 123 Cb -0.06 0.52 0.06 0.00 -1.71 0.00 0.00 66.02 64.82 1x25 s SER 123 CO 0.09 -0.21 0.72 2.29 1.20 0.00 0.00 173.24 177.33