#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x25 h SER -1 N 0.00 0.07 -0.43 1.61 0.02 -2.07 -2.41 113.55 110.34 1x25 h SER -1 Ca 0.00 -0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1x25 h SER -1 Cb 0.00 -0.02 0.00 0.00 0.14 0.00 0.00 62.40 62.52 1x25 h SER -1 CO 0.00 0.05 0.00 1.41 -1.14 0.00 0.00 176.83 177.15 1x25 n HIS 0 N -4.52 0.55 -2.53 3.45 -0.00 -1.26 -4.92 115.22 106.00 1x25 n HIS 0 Ca -0.01 -0.28 -0.42 0.00 -0.00 0.00 0.00 57.72 57.01 1x25 n HIS 0 Cb 0.14 0.00 -0.03 0.00 -0.00 0.00 0.00 29.99 30.10 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 -1.45 4.46 -0.05 -0.41 1.75 -0.91 -4.18 119.30 118.51 1x25 s MET 1 Ca 0.39 1.63 0.04 0.00 -1.25 0.00 0.00 55.69 56.50 1x25 s MET 1 Cb 0.22 -3.42 -0.00 0.00 2.84 0.00 0.00 34.83 34.47 1x25 s MET 1 CO 0.31 -0.22 -0.19 -1.21 -0.65 0.00 0.00 175.02 173.06 1x25 s GLU 2 N 1.25 1.97 0.34 4.11 2.02 0.11 -4.93 118.70 123.57 1x25 s GLU 2 Ca 0.56 -0.66 -0.25 0.00 0.02 0.00 0.00 54.97 54.63 1x25 s GLU 2 Cb -0.26 -1.69 -0.10 0.00 0.10 0.00 0.00 34.13 32.19 1x25 s GLU 2 CO 0.27 0.25 0.95 0.95 0.02 0.00 0.00 175.26 177.71 1x25 s THR 3 N 0.05 4.19 -0.11 3.63 -4.23 -1.26 -0.76 115.64 117.14 1x25 s THR 3 Ca -0.05 1.75 -0.01 0.00 -1.18 0.00 0.00 61.69 62.19 1x25 s THR 3 Cb -0.12 -3.93 -0.03 0.00 1.34 0.00 0.00 72.50 69.76 1x25 s THR 3 CO 0.03 0.07 -0.07 -0.69 -0.54 0.00 0.00 174.62 173.42 1x25 s VAL 4 N -1.69 3.63 -0.06 2.29 1.01 -0.24 -4.90 120.40 120.43 1x25 s VAL 4 Ca 0.52 -0.47 -0.03 0.00 0.00 0.00 0.00 61.98 62.00 1x25 s VAL 4 Cb -0.18 -2.53 0.03 0.00 0.00 0.00 0.00 36.38 33.70 1x25 s VAL 4 CO 0.23 0.54 0.14 0.12 0.00 0.00 0.00 175.10 176.13 1x25 s PHE 5 N -0.11 -0.16 0.01 5.22 5.36 -1.26 -3.64 117.98 123.41 1x25 s PHE 5 Ca 0.01 0.45 0.03 0.00 -0.96 0.00 0.00 56.93 56.46 1x25 s PHE 5 Cb -0.13 -0.07 -0.01 0.00 -0.34 0.00 0.00 43.02 42.47 1x25 s PHE 5 CO 0.03 -0.15 -0.09 -0.08 -1.46 0.00 0.00 175.22 173.47 1x25 s THR 6 N 1.01 0.70 -1.01 0.12 -1.32 -1.26 -5.02 115.64 108.85 1x25 s THR 6 Ca -0.08 -0.60 0.19 0.00 -1.21 0.00 0.00 61.69 59.99 1x25 s THR 6 Cb -0.10 -0.63 0.16 0.00 -1.51 0.00 0.00 72.50 70.42 1x25 s THR 6 CO -0.05 0.04 1.61 -0.62 -2.21 0.00 0.00 174.62 173.39 1x25 n GLU 7 N 2.44 0.01 -0.03 7.08 1.02 -1.26 -2.58 120.64 127.33 1x25 n GLU 7 Ca -0.16 0.17 0.12 0.00 -0.02 0.00 0.00 57.16 57.27 1x25 n GLU 7 Cb 0.56 -1.50 0.56 0.00 -0.02 0.00 0.00 31.44 31.04 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 -1.50 1.34 -4.27 3.49 5.02 -1.26 -4.82 118.16 116.16 1x25 n LYS 8 Ca 0.05 -0.51 -0.15 0.00 -2.02 0.00 0.00 58.31 55.68 1x25 n LYS 8 Cb 0.22 -1.39 -0.10 0.00 -0.02 0.00 0.00 35.03 33.74 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 -1.93 1.55 0.22 7.82 0.00 -1.06 -4.81 121.76 123.54 1x25 s ALA 9 Ca 0.34 -1.61 -0.32 0.00 0.00 0.00 0.00 51.96 50.38 1x25 s ALA 9 Cb 0.17 0.31 -0.13 0.00 0.00 0.00 0.00 23.12 23.47 1x25 s ALA 9 CO 0.28 -0.20 1.56 -2.30 0.00 0.00 0.00 175.76 175.10 1x25 n PRO 10 N -0.28 2.35 -2.41 0.00 -0.02 -1.26 -4.83 135.00 128.55 1x25 n PRO 10 Ca -0.08 0.84 -0.42 0.00 -2.02 0.00 0.00 63.50 61.82 1x25 n PRO 10 Cb 0.62 -2.60 -0.03 0.00 -0.02 0.00 0.00 33.50 31.48 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 0.28 4.38 0.28 -0.52 2.20 -1.26 -4.92 119.74 120.18 1x25 s LYS 11 Ca 0.72 1.76 -0.30 0.00 -0.36 0.00 0.00 55.97 57.79 1x25 s LYS 11 Cb -0.60 -3.45 -0.13 0.00 -1.51 0.00 0.00 37.83 32.14 1x25 s LYS 11 CO 0.42 -0.37 1.32 -2.30 -0.36 0.00 0.00 175.35 174.07 1x25 n PRO 12 N 4.57 1.97 -3.38 4.03 -0.02 -1.26 -4.95 135.00 135.97 1x25 n PRO 12 Ca 0.10 0.70 -0.26 0.00 -2.02 0.00 0.00 63.50 62.01 1x25 n PRO 12 Cb 0.46 -2.29 -0.08 0.00 -0.02 0.00 0.00 33.50 31.57 1x25 n PRO 12 CO 0.00 0.00 0.00 1.33 1.98 0.00 0.00 175.50 178.81 1x25 n VAL 13 N 1.19 1.65 -1.00 -1.45 0.24 -1.26 -5.05 118.33 112.66 1x25 n VAL 13 Ca 0.09 -4.94 0.00 0.00 -2.04 0.00 0.00 64.34 57.45 1x25 n VAL 13 Cb 0.33 -2.07 0.00 0.00 -1.47 0.00 0.00 33.84 30.63 1x25 n VAL 13 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1x25 n GLY 14 N 1.01 -1.12 2.30 7.63 0.00 -1.26 -5.00 105.19 108.75 1x25 n GLY 14 Ca 0.28 -1.53 -0.37 0.00 0.00 0.00 0.00 46.02 44.41 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 -0.83 3.63 -3.79 1.61 -0.04 -1.26 -4.82 135.00 129.51 1x25 n PRO 15 Ca 0.00 -2.21 -0.10 0.00 -0.04 0.00 0.00 63.50 61.15 1x25 n PRO 15 Cb 0.00 -2.71 -0.07 0.00 -0.04 0.00 0.00 33.50 30.68 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 1.74 0.02 0.09 0.54 -0.85 -1.26 -5.17 117.35 112.47 1x25 s TYR 16 Ca 0.68 -0.36 0.04 0.00 -0.52 0.00 0.00 57.07 56.92 1x25 s TYR 16 Cb 0.19 0.04 -0.04 0.00 0.38 0.00 0.00 41.96 42.54 1x25 s TYR 16 CO -0.06 -0.56 0.05 -1.12 -1.52 0.00 0.00 175.55 172.33 1x25 s SER 17 N -2.65 5.29 0.25 -0.18 0.01 -1.26 -4.81 113.70 110.35 1x25 s SER 17 Ca 0.02 -0.10 -0.03 0.00 1.31 0.00 0.00 55.95 57.15 1x25 s SER 17 Cb 0.03 -1.35 0.49 0.00 0.21 0.00 0.00 66.02 65.40 1x25 s SER 17 CO -0.09 0.16 1.75 1.56 0.41 0.00 0.00 173.24 177.03 1x25 h GLN 18 N 3.26 0.54 -3.15 12.44 4.20 -1.92 -3.41 115.11 127.08 1x25 h GLN 18 Ca -0.47 -0.03 -0.03 0.00 0.06 0.00 0.00 58.65 58.18 1x25 h GLN 18 Cb 1.17 -0.12 -0.12 0.00 0.30 0.00 0.00 27.48 28.71 1x25 h GLN 18 CO 0.63 0.36 0.11 0.00 -0.67 0.00 0.00 178.83 179.25 1x25 s ALA 19 N -5.99 -1.32 -0.13 3.87 0.00 -1.24 -1.36 121.76 115.58 1x25 s ALA 19 Ca -0.12 0.23 0.03 0.00 0.00 0.00 0.00 51.96 52.10 1x25 s ALA 19 Cb 0.21 0.83 0.01 0.00 0.00 0.00 0.00 23.12 24.17 1x25 s ALA 19 CO 0.77 -0.75 -0.22 0.42 0.00 0.00 0.00 175.76 175.99 1x25 s ILE 20 N -3.78 2.02 -0.12 0.00 -1.09 0.14 -1.08 121.20 117.28 1x25 s ILE 20 Ca 0.03 -0.96 -0.03 0.00 -2.23 0.00 0.00 60.65 57.45 1x25 s ILE 20 Cb -0.00 -1.78 -0.03 0.00 -1.58 0.00 0.00 42.46 39.06 1x25 s ILE 20 CO -0.11 0.54 -0.01 -0.75 -1.23 0.00 0.00 174.94 173.39 1x25 s LYS 21 N 0.75 3.35 -0.34 2.79 2.20 0.06 -0.20 119.74 128.35 1x25 s LYS 21 Ca -0.09 -0.44 -0.01 0.00 -0.36 0.00 0.00 55.97 55.07 1x25 s LYS 21 Cb -0.16 -2.88 0.11 0.00 -1.51 0.00 0.00 37.83 33.39 1x25 s LYS 21 CO -0.00 0.48 0.15 0.08 -0.36 0.00 0.00 175.35 175.70 1x25 s VAL 22 N -0.28 0.73 0.00 4.02 1.01 -0.40 0.04 120.40 125.52 1x25 s VAL 22 Ca 0.06 -1.58 0.00 0.00 0.00 0.00 0.00 61.98 60.46 1x25 s VAL 22 Cb -0.12 -1.55 0.00 0.00 0.00 0.00 0.00 36.38 34.71 1x25 s VAL 22 CO 0.02 -0.77 0.00 0.61 0.00 0.00 0.00 175.10 174.96 1x25 n GLY 23 N 4.53 3.79 0.58 4.51 0.00 -1.26 -1.78 105.19 115.57 1x25 n GLY 23 Ca 0.01 0.09 0.10 0.00 0.00 0.00 0.00 46.02 46.22 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 9.28 1.74 -4.51 1.61 3.02 -1.26 -4.84 115.26 120.29 1x25 n ASN 24 Ca 0.00 -1.77 -0.33 0.00 -0.03 0.00 0.00 54.58 52.45 1x25 n ASN 24 Cb 0.00 -0.14 -0.12 0.00 -0.61 0.00 0.00 39.78 38.91 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 -1.73 3.33 -0.08 3.41 2.01 -0.73 -0.67 115.64 121.18 1x25 s THR 25 Ca 0.31 -0.62 0.01 0.00 0.31 0.00 0.00 61.69 61.70 1x25 s THR 25 Cb 0.16 -2.33 0.02 0.00 0.01 0.00 0.00 72.50 70.36 1x25 s THR 25 CO 0.24 0.59 -0.09 -0.22 -0.69 0.00 0.00 174.62 174.45 1x25 s LEU 26 N -0.69 1.38 -0.31 4.42 2.96 -0.26 -1.28 118.68 124.89 1x25 s LEU 26 Ca 0.11 -0.26 -0.09 0.00 -0.22 0.00 0.00 54.13 53.67 1x25 s LEU 26 Cb -0.11 -0.74 -0.00 0.00 0.50 0.00 0.00 46.19 45.83 1x25 s LEU 26 CO 0.01 -0.05 0.14 -0.31 -1.32 0.00 0.00 176.35 174.83 1x25 s TYR 27 N 1.13 3.18 -0.11 5.38 2.02 0.72 -0.54 117.35 129.12 1x25 s TYR 27 Ca -0.06 -0.69 -0.04 0.00 -0.37 0.00 0.00 57.07 55.91 1x25 s TYR 27 Cb -0.14 -2.34 -0.04 0.00 -0.40 0.00 0.00 41.96 39.04 1x25 s TYR 27 CO -0.01 -0.50 0.04 0.08 -1.57 0.00 0.00 175.55 173.59 1x25 s VAL 28 N 1.58 4.67 0.74 0.71 1.01 -0.35 -0.69 120.40 128.08 1x25 s VAL 28 Ca 0.04 -0.11 -0.14 0.00 0.00 0.00 0.00 61.98 61.77 1x25 s VAL 28 Cb -0.17 -3.00 0.04 0.00 0.00 0.00 0.00 36.38 33.25 1x25 s VAL 28 CO 0.06 0.59 1.18 -0.44 0.00 0.00 0.00 175.10 176.49 1x25 s SER 29 N -0.74 4.24 -0.20 3.32 0.01 -0.47 -3.42 113.70 116.44 1x25 s SER 29 Ca 0.12 2.27 -0.29 0.00 1.31 0.00 0.00 55.95 59.36 1x25 s SER 29 Cb -0.12 -2.58 -0.04 0.00 0.21 0.00 0.00 66.02 63.49 1x25 s SER 29 CO 0.02 -2.23 1.85 -0.83 0.41 0.00 0.00 173.24 172.47 1x25 s GLY 30 N -2.21 1.00 0.04 3.44 0.00 -1.26 -4.44 107.32 103.89 1x25 s GLY 30 Ca 0.72 0.64 -0.21 0.00 0.00 0.00 0.00 44.72 45.87 1x25 s GLY 30 CO 0.46 3.32 0.61 1.20 0.00 0.00 0.00 173.10 178.70 1x25 s GLN 31 N 5.24 4.31 0.41 2.90 -1.52 0.87 -4.80 119.66 127.07 1x25 s GLN 31 Ca 0.83 0.80 0.08 0.00 -1.95 0.00 0.00 55.36 55.11 1x25 s GLN 31 Cb -0.29 -3.30 -0.04 0.00 -0.22 0.00 0.00 33.01 29.17 1x25 s GLN 31 CO 0.33 0.48 0.28 0.96 -0.25 0.00 0.00 175.29 177.10 1x25 s ILE 32 N -0.62 2.53 -0.62 1.08 -4.36 -1.26 -1.72 121.20 116.23 1x25 s ILE 32 Ca 0.31 -1.52 -0.06 0.00 -0.26 0.00 0.00 60.65 59.13 1x25 s ILE 32 Cb -0.19 -3.00 -0.12 0.00 1.25 0.00 0.00 42.46 40.39 1x25 s ILE 32 CO 0.19 -0.01 2.52 -2.65 0.24 0.00 0.00 174.94 175.23 1x25 n PRO 33 N -1.39 2.04 -3.43 0.37 -0.02 -1.26 -4.52 135.00 126.80 1x25 n PRO 33 Ca 0.01 -1.23 -0.37 0.00 -2.02 0.00 0.00 63.50 59.88 1x25 n PRO 33 Cb 0.63 -2.23 -0.06 0.00 -0.02 0.00 0.00 33.50 31.81 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 2.37 5.19 -0.24 4.25 1.01 -1.26 -1.00 121.20 131.52 1x25 s ILE 34 Ca 0.48 0.79 -0.29 0.00 0.00 0.00 0.00 60.65 61.63 1x25 s ILE 34 Cb 0.17 -3.73 -0.00 0.00 0.01 0.00 0.00 42.46 38.91 1x25 s ILE 34 CO -0.02 0.41 1.22 -0.62 0.00 0.00 0.00 174.94 175.92 1x25 s ASP 35 N 0.14 6.88 0.62 3.58 -1.08 -0.43 -4.76 116.67 121.62 1x25 s ASP 35 Ca 0.22 1.41 0.34 0.00 -0.52 0.00 0.00 52.55 54.00 1x25 s ASP 35 Cb -0.15 -2.54 1.93 0.00 -1.46 0.00 0.00 42.92 40.71 1x25 s ASP 35 CO 0.09 -0.86 2.22 1.55 0.52 0.00 0.00 175.17 178.69 1x25 h PRO 36 N 8.42 0.00 -0.41 4.34 0.13 -1.88 0.46 132.00 143.05 1x25 h PRO 36 Ca -0.24 0.00 -0.11 0.00 -0.87 0.00 0.00 66.00 64.78 1x25 h PRO 36 Cb 1.09 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.21 1x25 h PRO 36 CO 1.00 0.00 -0.17 0.00 -0.23 0.00 0.00 178.00 178.60 1x25 h ARG 37 N 0.00 0.85 0.00 0.86 3.08 -1.91 -3.28 114.38 113.98 1x25 h ARG 37 Ca 0.02 -0.36 0.00 0.00 0.07 0.00 0.00 59.98 59.72 1x25 h ARG 37 Cb 0.19 -0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.21 1x25 h ARG 37 CO -0.00 1.00 -1.57 0.25 -1.07 0.00 0.00 179.97 178.57 1x25 n THR 38 N -4.24 0.11 -1.91 2.04 -2.24 -0.69 -4.96 114.28 102.39 1x25 n THR 38 Ca -0.01 -0.40 -0.18 0.00 -2.27 0.00 0.00 64.05 61.20 1x25 n THR 38 Cb 0.42 0.13 -0.05 0.00 -2.10 0.00 0.00 70.33 68.73 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 -2.16 -4.89 -4.35 3.42 5.15 0.15 -4.99 115.26 107.60 1x25 n ASN 39 Ca -0.01 0.27 -0.21 0.00 -0.60 0.00 0.00 54.58 54.03 1x25 n ASN 39 Cb 0.51 -4.25 -0.11 0.00 -0.53 0.00 0.00 39.78 35.40 1x25 n ASN 39 CO 0.00 0.00 0.00 -1.61 1.40 0.00 0.00 177.26 177.05 1x25 s GLU 40 N -4.18 1.34 0.48 1.20 2.02 -1.24 -4.92 118.70 113.39 1x25 s GLU 40 Ca 0.00 -1.51 -0.23 0.00 0.02 0.00 0.00 54.97 53.24 1x25 s GLU 40 Cb 0.00 -1.29 -0.08 0.00 0.10 0.00 0.00 34.13 32.86 1x25 s GLU 40 CO 0.00 0.24 1.19 1.51 0.02 0.00 0.00 175.26 178.22 1x25 n ILE 41 N -0.06 2.97 -3.26 -1.63 0.13 -1.26 -1.31 119.36 114.94 1x25 n ILE 41 Ca -0.10 -0.50 -0.34 0.00 -1.10 0.00 0.00 62.75 60.71 1x25 n ILE 41 Cb 0.59 -1.44 -0.06 0.00 -0.84 0.00 0.00 39.64 37.89 1x25 n ILE 41 CO 0.00 0.00 0.00 0.68 2.80 0.00 0.00 176.55 180.03 1x25 s VAL 42 N -1.28 4.77 0.73 9.51 -7.23 -0.17 -4.76 120.40 121.97 1x25 s VAL 42 Ca 0.66 0.85 -0.11 0.00 -1.81 0.00 0.00 61.98 61.57 1x25 s VAL 42 Cb -0.48 -3.69 0.03 0.00 0.56 0.00 0.00 36.38 32.80 1x25 s VAL 42 CO 0.54 0.03 1.09 -0.54 -0.31 0.00 0.00 175.10 175.91 1x25 s LYS 43 N -2.48 2.64 0.00 4.82 1.02 -1.26 -4.95 119.74 119.52 1x25 s LYS 43 Ca 0.46 0.57 0.00 0.00 0.02 0.00 0.00 55.97 57.02 1x25 s LYS 43 Cb -0.13 -1.99 0.00 0.00 -0.52 0.00 0.00 37.83 35.19 1x25 s LYS 43 CO 0.19 -1.21 0.00 0.41 -0.92 0.00 0.00 175.35 173.82 1x25 n GLY 44 N -2.63 2.79 0.81 -3.33 0.00 -1.26 -4.81 105.19 96.76 1x25 n GLY 44 Ca 0.07 -2.07 -0.06 0.00 0.00 0.00 0.00 46.02 43.96 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 -0.44 -0.22 1.61 5.75 -1.26 -4.69 116.55 117.31 1x25 n ASP 45 Ca 0.00 -0.93 0.14 0.00 -0.01 0.00 0.00 54.79 53.98 1x25 n ASP 45 Cb 0.00 -0.22 0.44 0.00 -1.03 0.00 0.00 41.12 40.31 1x25 n ASP 45 CO 0.00 0.00 0.00 -0.29 -0.11 0.00 0.00 177.20 176.80 1x25 h ILE 46 N -1.39 0.82 -0.30 2.12 6.09 -1.98 -1.57 117.51 121.30 1x25 h ILE 46 Ca -0.09 -0.19 -0.07 0.00 -1.37 0.00 0.00 64.86 63.14 1x25 h ILE 46 Cb 0.26 0.21 -0.01 0.00 0.47 0.00 0.00 36.82 37.75 1x25 h ILE 46 CO 0.06 0.10 -0.07 0.11 -3.07 0.00 0.00 178.15 175.28 1x25 h LYS 47 N 0.55 0.58 -0.57 2.19 1.57 -1.91 0.16 116.57 119.14 1x25 h LYS 47 Ca 0.41 -0.22 0.02 0.00 -1.87 0.00 0.00 60.65 58.99 1x25 h LYS 47 Cb 0.78 -0.03 -0.04 0.00 0.08 0.00 0.00 32.23 33.02 1x25 h LYS 47 CO -0.16 0.77 0.35 0.28 -0.57 0.00 0.00 179.45 180.12 1x25 h VAL 48 N 0.35 1.07 -0.09 0.50 2.07 -1.69 -1.83 116.25 116.65 1x25 h VAL 48 Ca 0.08 -0.24 -0.17 0.00 0.82 0.00 0.00 66.70 67.19 1x25 h VAL 48 Cb 0.56 0.32 -0.01 0.00 -1.52 0.00 0.00 31.29 30.64 1x25 h VAL 48 CO 0.03 0.13 -0.68 1.56 0.02 0.00 0.00 177.57 178.62 1x25 h GLN 49 N 0.70 0.38 -0.41 1.57 4.20 -1.14 -2.06 115.11 118.35 1x25 h GLN 49 Ca 0.23 -0.29 -0.13 0.00 0.06 0.00 0.00 58.65 58.51 1x25 h GLN 49 Cb 0.01 0.06 -0.01 0.00 0.30 0.00 0.00 27.48 27.83 1x25 h GLN 49 CO -0.09 0.92 -0.27 1.15 -0.67 0.00 0.00 178.83 179.87 1x25 h THR 50 N 0.27 1.28 -0.81 -0.54 2.02 -0.52 -1.70 112.91 112.91 1x25 h THR 50 Ca -0.02 -1.43 -0.00 0.00 0.77 0.00 0.00 66.41 65.73 1x25 h THR 50 Cb 1.24 1.30 -0.04 0.00 -1.74 0.00 0.00 68.15 68.91 1x25 h THR 50 CO 0.12 0.48 0.50 0.03 0.37 0.00 0.00 175.52 177.02 1x25 h ARG 51 N 0.73 1.09 -0.32 6.66 3.08 -1.19 -0.97 114.38 123.46 1x25 h ARG 51 Ca 0.08 -0.09 -0.05 0.00 0.07 0.00 0.00 59.98 59.99 1x25 h ARG 51 Cb 0.85 -0.23 -0.01 0.00 0.08 0.00 0.00 29.97 30.65 1x25 h ARG 51 CO 0.07 0.75 -0.01 0.37 -1.07 0.00 0.00 179.97 180.08 1x25 h GLN 52 N 1.11 0.57 -0.25 0.04 5.75 -1.07 -0.11 115.11 121.15 1x25 h GLN 52 Ca 0.29 -0.19 0.00 0.00 -0.15 0.00 0.00 58.65 58.61 1x25 h GLN 52 Cb -0.07 -0.05 -0.01 0.00 1.07 0.00 0.00 27.48 28.42 1x25 h GLN 52 CO -0.06 0.71 0.16 0.28 -2.65 0.00 0.00 178.83 177.28 1x25 h VAL 53 N 0.36 1.06 -0.11 2.39 2.07 -1.12 -0.74 116.25 120.16 1x25 h VAL 53 Ca 0.09 -0.12 -0.15 0.00 0.82 0.00 0.00 66.70 67.35 1x25 h VAL 53 Cb 0.46 0.70 -0.01 0.00 -1.52 0.00 0.00 31.29 30.92 1x25 h VAL 53 CO 0.02 0.06 -0.56 -0.07 0.02 0.00 0.00 177.57 177.04 1x25 h LEU 54 N 0.34 0.38 -0.53 2.57 3.38 -1.11 -0.59 115.31 119.75 1x25 h LEU 54 Ca 0.09 -0.21 -0.02 0.00 0.09 0.00 0.00 57.88 57.83 1x25 h LEU 54 Cb -0.04 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 40.58 1x25 h LEU 54 CO -0.02 0.86 0.25 0.44 0.09 0.00 0.00 178.44 180.06 1x25 h ASP 55 N 0.26 0.70 -0.57 -0.43 3.32 -0.83 0.14 116.42 119.00 1x25 h ASP 55 Ca 0.00 -0.14 0.01 0.00 0.02 0.00 0.00 57.03 56.92 1x25 h ASP 55 Cb 1.06 -0.18 -0.03 0.00 0.22 0.00 0.00 39.33 40.40 1x25 h ASP 55 CO 0.09 0.64 0.38 0.78 -1.72 0.00 0.00 179.24 179.41 1x25 h ASN 56 N 0.70 0.64 -0.17 6.45 2.35 -0.79 -0.77 115.58 123.99 1x25 h ASN 56 Ca 0.18 -0.01 -0.01 0.00 -0.55 0.00 0.00 56.30 55.91 1x25 h ASN 56 Cb 0.13 -0.16 -0.01 0.00 0.05 0.00 0.00 38.32 38.34 1x25 h ASN 56 CO -0.02 0.46 0.07 0.40 -1.65 0.00 0.00 177.43 176.69 1x25 h ILE 57 N 0.76 1.17 -0.66 2.81 2.04 -0.95 -2.18 117.51 120.50 1x25 h ILE 57 Ca 0.21 -0.50 0.09 0.00 1.00 0.00 0.00 64.86 65.65 1x25 h ILE 57 Cb -0.07 1.18 -0.07 0.00 -0.74 0.00 0.00 36.82 37.12 1x25 h ILE 57 CO -0.05 0.16 0.32 0.50 0.00 0.00 0.00 178.15 179.07 1x25 h LYS 58 N 0.12 0.54 -0.43 2.37 3.64 -0.32 0.54 116.57 123.03 1x25 h LYS 58 Ca 0.06 -0.03 -0.07 0.00 -1.27 0.00 0.00 60.65 59.34 1x25 h LYS 58 Cb 0.19 -0.12 -0.02 0.00 -0.41 0.00 0.00 32.23 31.87 1x25 h LYS 58 CO -0.00 0.36 -0.01 0.93 -2.27 0.00 0.00 179.45 178.45 1x25 h GLU 59 N 0.55 0.69 -0.05 1.90 4.39 -1.00 -1.36 114.58 119.72 1x25 h GLU 59 Ca 0.32 -0.17 -0.02 0.00 0.34 0.00 0.00 59.36 59.83 1x25 h GLU 59 Cb 0.33 -0.09 -0.00 0.00 -0.10 0.00 0.00 28.75 28.89 1x25 h GLU 59 CO -0.26 0.71 -0.04 0.82 -1.16 0.00 0.00 179.01 179.08 1x25 h ILE 60 N 0.65 1.37 -0.14 3.13 2.04 -0.61 -0.75 117.51 123.20 1x25 h ILE 60 Ca 0.13 -1.18 0.04 0.00 1.00 0.00 0.00 64.86 64.85 1x25 h ILE 60 Cb 0.42 2.05 -0.04 0.00 -0.74 0.00 0.00 36.82 38.51 1x25 h ILE 60 CO 0.02 0.32 -0.12 0.58 0.00 0.00 0.00 178.15 178.95 1x25 h VAL 61 N -0.33 0.66 -0.13 1.67 2.07 -0.91 -2.04 116.25 117.23 1x25 h VAL 61 Ca 0.01 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.54 1x25 h VAL 61 Cb 0.54 0.66 -0.02 0.00 -1.52 0.00 0.00 31.29 30.95 1x25 h VAL 61 CO 0.01 0.00 0.03 0.11 0.02 0.00 0.00 177.57 177.74 1x25 h LYS 62 N -0.14 0.08 -1.10 1.57 1.57 -1.23 -1.00 116.57 116.33 1x25 h LYS 62 Ca 0.09 -0.00 0.31 0.00 -1.87 0.00 0.00 60.65 59.17 1x25 h LYS 62 Cb 0.27 -0.02 -0.07 0.00 0.08 0.00 0.00 32.23 32.50 1x25 h LYS 62 CO -0.22 0.05 0.76 0.00 -0.57 0.00 0.00 179.45 179.47 1x25 h ALA 63 N 1.09 2.72 -0.01 3.86 0.00 -0.91 -0.53 119.26 125.48 1x25 h ALA 63 Ca 0.06 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.97 1x25 h ALA 63 Cb 0.05 0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.90 1x25 h ALA 63 CO -0.08 -1.08 -0.01 0.00 0.00 0.00 0.00 179.25 178.08 1x25 n ALA 64 N -2.64 2.65 -0.69 0.00 0.00 -0.77 -4.91 120.51 114.15 1x25 n ALA 64 Ca 0.25 -0.29 0.00 0.00 0.00 0.00 0.00 53.44 53.40 1x25 n ALA 64 Cb 1.07 -1.37 0.00 0.00 0.00 0.00 0.00 19.45 19.15 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 1.09 0.59 3.73 0.00 0.00 -0.21 -5.08 105.19 105.32 1x25 n GLY 65 Ca 0.21 -0.58 -0.24 0.00 0.00 0.00 0.00 46.02 45.41 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 2.62 0.33 1.61 0.08 -0.45 -5.01 117.98 115.15 1x25 s PHE 66 Ca 0.00 -0.55 0.05 0.00 0.12 0.00 0.00 56.93 56.55 1x25 s PHE 66 Cb 0.00 -1.89 -0.06 0.00 -0.57 0.00 0.00 43.02 40.50 1x25 s PHE 66 CO 0.00 0.22 0.01 -1.54 -0.10 0.00 0.00 175.22 173.81 1x25 s SER 67 N -3.89 2.78 0.58 1.36 1.04 -1.26 -3.27 113.70 111.03 1x25 s SER 67 Ca 0.40 -1.32 0.28 0.00 0.48 0.00 0.00 55.95 55.80 1x25 s SER 67 Cb 0.03 -0.17 1.73 0.00 0.10 0.00 0.00 66.02 67.70 1x25 s SER 67 CO 0.22 -0.49 2.23 -0.07 0.98 0.00 0.00 173.24 176.11 1x25 h LEU 68 N 2.10 0.00 -0.85 2.42 3.38 -1.94 0.45 115.31 120.88 1x25 h LEU 68 Ca -0.41 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.56 1x25 h LEU 68 Cb 1.24 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.99 1x25 h LEU 68 CO 0.71 0.01 0.00 0.77 0.09 0.00 0.00 178.44 180.02 1x25 h SER 69 N 0.00 0.00 0.62 -0.43 4.64 -1.95 -1.95 113.55 114.47 1x25 h SER 69 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1x25 h SER 69 Cb 0.03 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.12 1x25 h SER 69 CO 0.00 0.00 -0.22 0.47 -0.87 0.00 0.00 176.83 176.22 1x25 n ASP 70 N -2.34 0.35 -4.67 4.97 8.00 0.15 -4.88 116.55 118.12 1x25 n ASP 70 Ca 0.02 -0.12 -0.43 0.00 0.71 0.00 0.00 54.79 54.97 1x25 n ASP 70 Cb 0.22 -0.09 -0.03 0.00 -0.02 0.00 0.00 41.12 41.20 1x25 n ASP 70 CO 0.00 0.00 0.00 0.52 -0.39 0.00 0.00 177.20 177.33 1x25 n VAL 71 N -1.31 0.58 -0.07 2.53 0.31 -0.74 -0.80 118.33 118.84 1x25 n VAL 71 Ca 0.09 -0.10 -0.05 0.00 -0.01 0.00 0.00 64.34 64.26 1x25 n VAL 71 Cb 0.32 -2.20 -0.12 0.00 -0.91 0.00 0.00 33.84 30.93 1x25 n VAL 71 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1x25 n ALA 72 N 6.65 1.76 -3.70 3.52 0.00 -0.11 -4.32 120.51 124.31 1x25 n ALA 72 Ca 0.19 -0.92 -0.11 0.00 0.00 0.00 0.00 53.44 52.60 1x25 n ALA 72 Cb 0.38 -0.14 -0.11 0.00 0.00 0.00 0.00 19.45 19.58 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 -2.47 0.34 -0.07 0.00 1.75 -0.84 -1.42 119.30 116.58 1x25 s MET 73 Ca -0.07 0.75 0.04 0.00 -1.25 0.00 0.00 55.69 55.16 1x25 s MET 73 Cb 0.05 -0.02 -0.02 0.00 2.84 0.00 0.00 34.83 37.69 1x25 s MET 73 CO 0.63 -0.17 -0.20 0.00 -0.65 0.00 0.00 175.02 174.63 1x25 s ALA 74 N 1.51 2.40 -0.32 4.11 0.00 0.44 -0.87 121.76 129.03 1x25 s ALA 74 Ca -0.08 -1.00 -0.07 0.00 0.00 0.00 0.00 51.96 50.81 1x25 s ALA 74 Cb -0.09 -0.87 0.02 0.00 0.00 0.00 0.00 23.12 22.18 1x25 s ALA 74 CO -0.12 0.42 0.10 -0.06 0.00 0.00 0.00 175.76 176.10 1x25 s PHE 75 N -0.20 3.19 -0.22 0.00 0.08 0.64 -0.30 117.98 121.17 1x25 s PHE 75 Ca -0.01 -1.14 -0.04 0.00 0.12 0.00 0.00 56.93 55.86 1x25 s PHE 75 Cb -0.13 -2.28 -0.00 0.00 -0.57 0.00 0.00 43.02 40.03 1x25 s PHE 75 CO 0.03 -0.64 -0.04 0.08 -0.10 0.00 0.00 175.22 174.55 1x25 s VAL 76 N 1.47 3.33 -0.23 -0.44 1.01 0.15 -1.75 120.40 123.95 1x25 s VAL 76 Ca 0.01 -0.54 -0.04 0.00 0.00 0.00 0.00 61.98 61.41 1x25 s VAL 76 Cb -0.18 -2.53 -0.00 0.00 0.00 0.00 0.00 36.38 33.66 1x25 s VAL 76 CO 0.03 0.40 -0.03 -0.36 0.00 0.00 0.00 175.10 175.14 1x25 s PHE 77 N 1.47 2.98 -0.04 5.22 0.08 -0.03 -1.81 117.98 125.85 1x25 s PHE 77 Ca 0.05 -0.99 -0.01 0.00 0.12 0.00 0.00 56.93 56.10 1x25 s PHE 77 Cb -0.14 -2.11 -0.04 0.00 -0.57 0.00 0.00 43.02 40.16 1x25 s PHE 77 CO -0.03 -0.56 0.04 -0.51 -0.10 0.00 0.00 175.22 174.05 1x25 s LEU 78 N 1.47 3.75 0.32 -0.37 1.43 -0.26 -1.30 118.68 123.72 1x25 s LEU 78 Ca 0.05 0.14 0.14 0.00 -1.03 0.00 0.00 54.13 53.43 1x25 s LEU 78 Cb -0.15 -2.06 0.51 0.00 0.03 0.00 0.00 46.19 44.53 1x25 s LEU 78 CO -0.03 0.32 1.68 0.50 0.23 0.00 0.00 176.35 179.04 1x25 h LYS 79 N 4.55 0.00 -2.19 1.70 1.63 -1.42 0.92 116.57 121.77 1x25 h LYS 79 Ca -0.50 0.00 -0.25 0.00 -0.85 0.00 0.00 60.65 59.05 1x25 h LYS 79 Cb 1.19 0.00 -0.33 0.00 -0.60 0.00 0.00 32.23 32.49 1x25 h LYS 79 CO 0.58 0.50 -0.57 0.34 -3.45 0.00 0.00 179.45 176.85 1x25 s ASP 80 N -6.67 0.96 0.66 4.20 -1.08 -1.26 -4.66 116.67 108.83 1x25 s ASP 80 Ca -0.01 -0.16 0.44 0.00 -0.52 0.00 0.00 52.55 52.31 1x25 s ASP 80 Cb 0.12 0.71 2.40 0.00 -1.46 0.00 0.00 42.92 44.69 1x25 s ASP 80 CO 0.73 -0.33 2.37 -0.03 0.52 0.00 0.00 175.17 178.43 1x25 h MET 81 N 8.25 0.00 0.00 4.34 1.85 -1.93 0.53 114.93 127.96 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 0.09 -0.40 0.00 0.00 176.91 176.89 1x25 n ASN 82 N -3.12 0.36 -0.74 1.39 3.02 -1.26 -1.56 115.26 113.36 1x25 n ASN 82 Ca -0.03 0.60 0.11 0.00 -0.03 0.00 0.00 54.58 55.23 1x25 n ASN 82 Cb 0.07 -0.67 0.32 0.00 -0.61 0.00 0.00 39.78 38.89 1x25 n ASN 82 CO 0.00 0.00 0.00 0.23 -2.62 0.00 0.00 177.26 174.87 1x25 n MET 83 N -1.91 1.97 -0.09 3.52 2.81 0.18 -4.56 117.12 119.03 1x25 n MET 83 Ca 0.02 -1.45 -0.06 0.00 -1.81 0.00 0.00 57.70 54.40 1x25 n MET 83 Cb 0.18 -1.43 0.01 0.00 -0.71 0.00 0.00 33.22 31.27 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 2.90 -0.09 -0.85 2.03 3.57 -1.41 -1.75 116.94 121.34 1x25 h PHE 84 Ca 0.00 0.03 0.04 0.00 3.53 0.00 0.00 57.97 61.57 1x25 h PHE 84 Cb 0.64 0.09 -0.05 0.00 2.79 0.00 0.00 35.95 39.42 1x25 h PHE 84 CO 0.15 -0.10 0.54 -0.91 -2.23 0.00 0.00 178.31 175.75 1x25 h ASN 85 N 0.05 0.87 -0.28 0.41 2.35 -1.83 0.15 115.58 117.30 1x25 h ASN 85 Ca 0.16 0.00 -0.09 0.00 -0.55 0.00 0.00 56.30 55.83 1x25 h ASN 85 Cb 0.23 -0.18 -0.01 0.00 0.05 0.00 0.00 38.32 38.41 1x25 h ASN 85 CO -0.30 0.58 -0.17 0.44 -1.65 0.00 0.00 177.43 176.33 1x25 h ASP 86 N 1.02 0.63 -0.37 5.81 3.32 -1.85 -1.57 116.42 123.41 1x25 h ASP 86 Ca 0.35 -0.43 0.07 0.00 0.02 0.00 0.00 57.03 57.04 1x25 h ASP 86 Cb 0.07 -0.18 -0.06 0.00 0.22 0.00 0.00 39.33 39.38 1x25 h ASP 86 CO -0.14 0.92 -0.02 0.15 -1.72 0.00 0.00 179.24 178.44 1x25 h PHE 87 N 0.35 -0.05 -0.54 4.55 3.57 -0.87 -2.78 116.94 121.16 1x25 h PHE 87 Ca 0.06 0.03 -0.07 0.00 3.53 0.00 0.00 57.97 61.52 1x25 h PHE 87 Cb 0.70 0.08 -0.02 0.00 2.79 0.00 0.00 35.95 39.49 1x25 h PHE 87 CO 0.06 -0.09 0.06 -0.97 -2.23 0.00 0.00 178.31 175.15 1x25 h ASN 88 N 0.08 0.83 -0.98 0.41 -1.24 -0.52 -0.66 115.58 113.50 1x25 h ASN 88 Ca 0.18 -0.18 0.05 0.00 0.71 0.00 0.00 56.30 57.06 1x25 h ASN 88 Cb 0.26 -0.22 -0.06 0.00 0.73 0.00 0.00 38.32 39.03 1x25 h ASN 88 CO -0.32 0.85 0.64 0.77 -1.29 0.00 0.00 177.43 178.09 1x25 h SER 89 N 0.82 1.04 -0.01 1.15 4.64 -1.02 -0.13 113.55 120.04 1x25 h SER 89 Ca 0.17 -0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 61.43 1x25 h SER 89 Cb 0.40 -0.23 0.00 0.00 -0.31 0.00 0.00 62.40 62.26 1x25 h SER 89 CO 0.01 0.70 -0.19 0.58 -0.87 0.00 0.00 176.83 177.06 1x25 h VAL 90 N 1.20 1.54 -0.91 0.95 2.07 -1.23 -3.23 116.25 116.63 1x25 h VAL 90 Ca 0.40 -1.84 0.12 0.00 0.82 0.00 0.00 66.70 66.20 1x25 h VAL 90 Cb 0.08 2.69 -0.07 0.00 -1.52 0.00 0.00 31.29 32.47 1x25 h VAL 90 CO -0.14 0.50 0.58 0.22 0.02 0.00 0.00 177.57 178.75 1x25 h TYR 91 N -0.51 0.93 0.00 1.57 3.20 -0.93 -1.21 116.97 120.02 1x25 h TYR 91 Ca -0.02 0.03 -0.02 0.00 3.14 0.00 0.00 58.73 61.86 1x25 h TYR 91 Cb 0.92 -0.30 -0.00 0.00 1.54 0.00 0.00 36.73 38.89 1x25 h TYR 91 CO 0.17 0.38 -0.08 0.00 -1.64 0.00 0.00 178.16 177.00 1x25 h ALA 92 N 1.57 1.29 0.00 1.82 0.00 -1.04 -0.99 119.26 121.91 1x25 h ALA 92 Ca 0.44 -0.07 -0.08 0.00 0.00 0.00 0.00 54.91 55.19 1x25 h ALA 92 Cb 0.55 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.31 1x25 h ALA 92 CO -0.20 0.10 -0.40 0.93 0.00 0.00 0.00 179.25 179.68 1x25 h GLU 93 N 0.00 0.00 0.00 0.00 4.39 -1.29 -3.17 114.58 114.50 1x25 h GLU 93 Ca -0.00 0.00 -0.08 0.00 0.34 0.00 0.00 59.36 59.62 1x25 h GLU 93 Cb 0.25 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.89 1x25 h GLU 93 CO 0.01 0.40 -1.15 1.88 -1.16 0.00 0.00 179.01 179.00 1x25 h TYR 94 N 0.00 0.00 -2.17 4.33 0.05 -1.24 -3.40 116.97 114.54 1x25 h TYR 94 Ca -0.00 0.00 -0.55 0.00 0.05 0.00 0.00 58.73 58.23 1x25 h TYR 94 Cb 0.93 0.00 -0.41 0.00 1.01 0.00 0.00 36.73 38.26 1x25 h TYR 94 CO 0.00 0.28 -0.86 1.19 -1.05 0.00 0.00 178.16 177.71 1x25 n PHE 95 N -2.80 2.50 -0.06 4.88 3.72 -1.05 -4.90 117.46 119.75 1x25 n PHE 95 Ca -0.04 -3.93 -0.13 0.00 -0.05 0.00 0.00 57.45 53.30 1x25 n PHE 95 Cb 0.69 -0.46 -0.01 0.00 -0.94 0.00 0.00 39.48 38.75 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 3.03 0.81 -5.91 -1.08 1.57 -1.77 -3.40 116.57 109.82 1x25 h LYS 96 Ca 0.12 -0.49 -0.58 0.00 -1.87 0.00 0.00 60.65 57.83 1x25 h LYS 96 Cb 0.69 0.05 -0.29 0.00 0.08 0.00 0.00 32.23 32.76 1x25 h LYS 96 CO 0.69 1.12 -0.85 -0.51 -0.57 0.00 0.00 179.45 179.34 1x25 s ASP 97 N -6.92 2.31 -1.23 0.86 1.01 -1.26 -4.79 116.67 106.65 1x25 s ASP 97 Ca -0.10 -0.38 -0.07 0.00 0.71 0.00 0.00 52.55 52.72 1x25 s ASP 97 Cb 0.11 -0.25 -0.01 0.00 1.01 0.00 0.00 42.92 43.78 1x25 s ASP 97 CO 0.88 0.23 0.74 0.29 0.21 0.00 0.00 175.17 177.51 1x25 n LYS 98 N 2.49 -3.42 -1.76 8.23 5.02 -1.26 -4.90 118.16 122.56 1x25 n LYS 98 Ca -0.15 0.59 -0.35 0.00 -2.02 0.00 0.00 58.31 56.38 1x25 n LYS 98 Cb 0.53 -4.93 0.06 0.00 -0.02 0.00 0.00 35.03 30.67 1x25 n LYS 98 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 1x25 s PRO 99 N -5.80 2.65 0.91 1.97 0.04 -1.26 -4.99 135.00 128.51 1x25 s PRO 99 Ca 0.19 1.72 -0.12 0.00 0.04 0.00 0.00 61.00 62.84 1x25 s PRO 99 Cb -0.05 -1.90 0.13 0.00 0.04 0.00 0.00 34.50 32.72 1x25 s PRO 99 CO 0.82 -1.44 1.10 -1.25 0.04 0.00 0.00 177.00 176.27 1x25 s PRO 100 N -3.67 1.17 0.61 0.56 0.04 -1.26 -5.02 135.00 127.43 1x25 s PRO 100 Ca 0.74 0.69 -0.19 0.00 0.04 0.00 0.00 61.00 62.28 1x25 s PRO 100 Cb -0.28 -1.81 -0.03 0.00 0.04 0.00 0.00 34.50 32.42 1x25 s PRO 100 CO 0.39 -2.26 1.29 0.00 0.04 0.00 0.00 177.00 176.45 1x25 s ALA 101 N -3.00 2.53 -0.07 8.56 0.00 -0.51 -4.87 121.76 124.41 1x25 s ALA 101 Ca 0.63 1.19 -0.06 0.00 0.00 0.00 0.00 51.96 53.72 1x25 s ALA 101 Cb -0.17 -3.53 0.02 0.00 0.00 0.00 0.00 23.12 19.44 1x25 s ALA 101 CO 0.56 -1.42 0.18 0.50 0.00 0.00 0.00 175.76 175.58 1x25 s ARG 102 N -3.24 0.20 -0.15 0.00 3.52 -1.26 -0.42 118.95 117.60 1x25 s ARG 102 Ca 0.78 0.25 -0.01 0.00 -0.13 0.00 0.00 55.73 56.63 1x25 s ARG 102 Cb -0.36 0.09 -0.01 0.00 -1.56 0.00 0.00 34.95 33.11 1x25 s ARG 102 CO 0.40 -0.03 -0.12 0.08 -0.81 0.00 0.00 175.30 174.81 1x25 s VAL 103 N 0.14 2.99 -0.09 7.11 1.01 0.59 -4.95 120.40 127.20 1x25 s VAL 103 Ca -0.00 -0.67 0.00 0.00 0.00 0.00 0.00 61.98 61.31 1x25 s VAL 103 Cb -0.02 -2.27 0.02 0.00 0.00 0.00 0.00 36.38 34.11 1x25 s VAL 103 CO -0.00 0.51 -0.08 -0.89 0.00 0.00 0.00 175.10 174.64 1x25 s THR 104 N 0.64 0.95 0.07 3.92 2.01 -1.26 0.31 115.64 122.28 1x25 s THR 104 Ca -0.07 -0.28 -0.05 0.00 0.31 0.00 0.00 61.69 61.61 1x25 s THR 104 Cb -0.15 -0.95 -0.02 0.00 0.01 0.00 0.00 72.50 71.38 1x25 s THR 104 CO 0.03 0.34 0.08 0.68 -0.69 0.00 0.00 174.62 175.06 1x25 s VAL 105 N 1.42 0.18 -0.17 3.82 -7.23 -0.75 -5.02 120.40 112.65 1x25 s VAL 105 Ca -0.01 -1.50 -0.08 0.00 -1.81 0.00 0.00 61.98 58.58 1x25 s VAL 105 Cb -0.13 -1.44 -0.05 0.00 0.56 0.00 0.00 36.38 35.32 1x25 s VAL 105 CO -0.04 -0.81 0.11 -0.70 -0.31 0.00 0.00 175.10 173.34 1x25 s GLU 106 N -3.89 3.93 0.46 4.82 2.12 -1.26 -1.11 118.70 123.78 1x25 s GLU 106 Ca 0.06 -0.24 0.06 0.00 0.36 0.00 0.00 54.97 55.22 1x25 s GLU 106 Cb 0.06 -3.30 -0.01 0.00 0.26 0.00 0.00 34.13 31.14 1x25 s GLU 106 CO -0.10 0.41 0.29 0.14 -0.54 0.00 0.00 175.26 175.46 1x25 s VAL 107 N 0.02 2.12 0.07 3.70 -7.23 0.32 -4.92 120.40 114.47 1x25 s VAL 107 Ca 0.09 -1.55 -0.11 0.00 -1.81 0.00 0.00 61.98 58.59 1x25 s VAL 107 Cb -0.12 -2.68 -0.29 0.00 0.56 0.00 0.00 36.38 33.86 1x25 s VAL 107 CO -0.00 0.00 1.12 0.28 -0.31 0.00 0.00 175.10 176.19 1x25 h SER 108 N 1.10 0.71 -4.62 4.85 0.02 -1.90 -3.42 113.55 110.29 1x25 h SER 108 Ca -0.40 -0.69 0.04 0.00 -0.84 0.00 0.00 61.79 59.90 1x25 h SER 108 Cb 1.28 -0.23 -0.18 0.00 0.14 0.00 0.00 62.40 63.41 1x25 h SER 108 CO 0.63 1.51 0.39 -0.60 -1.14 0.00 0.00 176.83 177.62 1x25 s ARG 109 N -2.86 0.87 0.23 3.45 3.52 -1.26 -5.04 118.95 117.87 1x25 s ARG 109 Ca -0.07 -0.03 0.07 0.00 -0.13 0.00 0.00 55.73 55.56 1x25 s ARG 109 Cb 0.06 0.41 -0.05 0.00 -1.56 0.00 0.00 34.95 33.81 1x25 s ARG 109 CO 0.91 -0.32 -0.10 -0.51 -0.81 0.00 0.00 175.30 174.47 1x25 s LEU 110 N -1.74 2.50 0.39 -0.88 1.43 -1.26 -5.06 118.68 114.06 1x25 s LEU 110 Ca -0.02 -1.10 -0.26 0.00 -1.03 0.00 0.00 54.13 51.73 1x25 s LEU 110 Cb -0.01 -0.63 -0.11 0.00 0.03 0.00 0.00 46.19 45.48 1x25 s LEU 110 CO -0.01 -0.26 1.18 -2.65 0.23 0.00 0.00 176.35 174.83 1x25 n PRO 111 N -0.45 1.75 -1.92 1.29 -0.02 -1.26 -1.74 135.00 132.64 1x25 n PRO 111 Ca -0.07 0.62 -0.17 0.00 -2.02 0.00 0.00 63.50 61.86 1x25 n PRO 111 Cb 0.62 -2.22 -0.04 0.00 -0.02 0.00 0.00 33.50 31.83 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 0.25 -1.62 -3.76 -0.52 5.02 -1.26 -1.80 118.16 114.47 1x25 n LYS 112 Ca 0.07 0.95 -0.29 0.00 -2.02 0.00 0.00 58.31 57.02 1x25 n LYS 112 Cb 0.38 -5.42 0.01 0.00 -0.02 0.00 0.00 35.03 29.98 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 -1.42 -4.46 -4.72 4.39 8.00 -0.71 -4.94 116.55 112.68 1x25 n ASP 113 Ca -0.19 -0.68 -0.31 0.00 0.71 0.00 0.00 54.79 54.32 1x25 n ASP 113 Cb 0.61 -3.60 0.13 0.00 -0.02 0.00 0.00 41.12 38.24 1x25 n ASP 113 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1x25 s ALA 114 N -3.19 1.88 -0.71 2.24 0.00 -0.75 -4.93 121.76 116.30 1x25 s ALA 114 Ca 0.59 0.41 0.25 0.00 0.00 0.00 0.00 51.96 53.21 1x25 s ALA 114 Cb -0.30 -3.35 0.48 0.00 0.00 0.00 0.00 23.12 19.95 1x25 s ALA 114 CO 0.73 -2.24 1.43 1.28 0.00 0.00 0.00 175.76 176.96 1x25 n LEU 115 N -3.86 0.67 -3.56 0.00 4.77 -1.26 -4.49 117.00 109.27 1x25 n LEU 115 Ca 0.10 0.28 -0.15 0.00 -0.03 0.00 0.00 56.01 56.21 1x25 n LEU 115 Cb 0.53 -0.23 -0.06 0.00 -2.33 0.00 0.00 43.42 41.33 1x25 n LEU 115 CO 0.52 -0.06 0.52 -0.51 -1.33 0.00 0.00 177.39 176.53 1x25 s ILE 116 N -3.13 0.00 -0.02 -0.08 2.07 -1.26 -1.26 121.20 117.52 1x25 s ILE 116 Ca 0.08 0.00 0.01 0.00 -1.41 0.00 0.00 60.65 59.32 1x25 s ILE 116 Cb 0.14 -1.00 0.02 0.00 0.13 0.00 0.00 42.46 41.74 1x25 s ILE 116 CO 0.69 0.00 -0.02 -0.70 -1.91 0.00 0.00 174.94 173.00 1x25 s GLU 117 N -0.79 0.34 -0.08 3.50 2.12 -0.42 -4.16 118.70 119.21 1x25 s GLU 117 Ca -0.06 -0.01 0.01 0.00 0.36 0.00 0.00 54.97 55.27 1x25 s GLU 117 Cb -0.01 -0.44 0.02 0.00 0.26 0.00 0.00 34.13 33.95 1x25 s GLU 117 CO 0.06 -0.06 -0.10 0.42 -0.54 0.00 0.00 175.26 175.04 1x25 s ILE 118 N 0.63 1.04 0.20 -3.70 1.01 -0.70 -0.85 121.20 118.83 1x25 s ILE 118 Ca -0.06 -0.38 0.09 0.00 0.00 0.00 0.00 60.65 60.29 1x25 s ILE 118 Cb -0.10 -1.00 -0.04 0.00 0.01 0.00 0.00 42.46 41.33 1x25 s ILE 118 CO -0.01 0.35 -0.09 0.00 0.00 0.00 0.00 174.94 175.19 1x25 s ALA 119 N 1.04 2.97 0.04 9.38 0.00 -0.71 -0.09 121.76 134.38 1x25 s ALA 119 Ca -0.08 -1.52 -0.01 0.00 0.00 0.00 0.00 51.96 50.35 1x25 s ALA 119 Cb -0.15 -0.72 -0.03 0.00 0.00 0.00 0.00 23.12 22.22 1x25 s ALA 119 CO -0.01 0.42 -0.02 0.14 0.00 0.00 0.00 175.76 176.29 1x25 s VAL 120 N -1.85 0.19 -0.09 0.00 -7.23 -1.22 -0.26 120.40 109.94 1x25 s VAL 120 Ca 0.26 -1.52 0.04 0.00 -1.81 0.00 0.00 61.98 58.95 1x25 s VAL 120 Cb -0.08 -1.14 -0.00 0.00 0.56 0.00 0.00 36.38 35.72 1x25 s VAL 120 CO 0.16 -0.84 -0.24 -0.63 -0.31 0.00 0.00 175.10 173.24 1x25 s ILE 121 N -3.17 2.05 0.13 -0.62 1.01 -0.05 -1.21 121.20 119.33 1x25 s ILE 121 Ca 0.00 -1.02 0.08 0.00 0.00 0.00 0.00 60.65 59.70 1x25 s ILE 121 Cb 0.03 -1.76 -0.04 0.00 0.01 0.00 0.00 42.46 40.69 1x25 s ILE 121 CO -0.07 0.56 -0.10 0.00 0.00 0.00 0.00 174.94 175.33 1x25 s SER 123 N -2.39 1.46 0.00 0.00 0.15 0.02 -1.10 113.70 111.84 1x25 s SER 123 Ca 0.22 -0.35 0.19 0.00 0.70 0.00 0.00 55.95 56.71 1x25 s SER 123 Cb -0.10 0.42 0.53 0.00 -1.71 0.00 0.00 66.02 65.15 1x25 s SER 123 CO 0.14 -0.34 1.44 2.29 1.20 0.00 0.00 173.24 177.97 1x25 n LYS 124 N 5.32 2.75 0.00 5.44 2.85 0.15 -4.80 118.16 129.87 1x25 n LYS 124 Ca -0.05 -2.45 0.00 0.00 -1.05 0.00 0.00 58.31 54.77 1x25 n LYS 124 Cb 0.49 -1.47 0.00 0.00 -0.65 0.00 0.00 35.03 33.40 1x25 n LYS 124 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76