#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1mif s MET 3 N 0.00 0.99 -0.11 -0.52 -1.94 -0.37 -1.74 119.30 115.62 1mif s MET 3 Ca 0.00 -0.25 -0.01 0.00 -1.71 0.00 0.00 55.69 53.72 1mif s MET 3 Cb 0.00 -0.92 0.03 0.00 2.01 0.00 0.00 34.83 35.95 1mif s MET 3 CO 0.00 0.04 -0.04 0.12 -0.01 0.00 0.00 175.02 175.13 1mif s PHE 4 N 0.47 1.15 -0.04 -0.03 5.36 -0.74 -0.88 117.98 123.26 1mif s PHE 4 Ca -0.07 -0.54 0.02 0.00 -0.96 0.00 0.00 56.93 55.38 1mif s PHE 4 Cb -0.11 -1.05 -0.03 0.00 -0.34 0.00 0.00 43.02 41.48 1mif s PHE 4 CO 0.01 -0.45 -0.09 0.42 -1.46 0.00 0.00 175.22 173.65 1mif s ILE 5 N 1.82 3.50 -0.13 3.12 1.09 -0.73 -0.66 121.20 129.21 1mif s ILE 5 Ca 0.04 -0.65 0.00 0.00 -1.10 0.00 0.00 60.65 58.94 1mif s ILE 5 Cb -0.13 -2.45 0.02 0.00 -1.06 0.00 0.00 42.46 38.84 1mif s ILE 5 CO -0.07 0.53 -0.12 -0.69 -0.10 0.00 0.00 174.94 174.49 1mif s VAL 6 N -0.85 1.34 -0.17 2.92 1.01 0.32 -1.28 120.40 123.68 1mif s VAL 6 Ca 0.14 -0.50 -0.01 0.00 0.00 0.00 0.00 61.98 61.61 1mif s VAL 6 Cb -0.11 -1.28 -0.01 0.00 0.00 0.00 0.00 36.38 34.99 1mif s VAL 6 CO 0.03 0.42 -0.12 0.20 0.00 0.00 0.00 175.10 175.63 1mif s ASN 7 N 1.46 3.93 0.03 3.32 -0.87 -0.30 0.16 114.94 122.68 1mif s ASN 7 Ca 0.02 -0.41 -0.12 0.00 -1.57 0.00 0.00 52.86 50.78 1mif s ASN 7 Cb -0.13 -1.63 0.01 0.00 -0.02 0.00 0.00 41.25 39.49 1mif s ASN 7 CO -0.08 0.08 0.26 0.28 -2.57 0.00 0.00 177.10 175.07 1mif s THR 8 N 0.88 0.09 -1.96 1.60 -1.32 -0.72 -0.32 115.64 113.89 1mif s THR 8 Ca -0.03 -0.72 0.29 0.00 -1.21 0.00 0.00 61.69 60.02 1mif s THR 8 Cb -0.15 -0.86 0.54 0.00 -1.51 0.00 0.00 72.50 70.52 1mif s THR 8 CO -0.00 -0.40 1.86 -0.46 -2.21 0.00 0.00 174.62 173.41 1mif n ASN 9 N 0.75 0.74 -4.77 8.08 2.04 -1.21 -2.25 115.26 118.64 1mif n ASN 9 Ca -0.19 -0.95 -0.41 0.00 -0.44 0.00 0.00 54.58 52.59 1mif n ASN 9 Cb 0.59 -0.01 -0.01 0.00 -2.53 0.00 0.00 39.78 37.81 1mif n ASN 9 CO 0.00 0.00 0.00 -0.69 -0.44 0.00 0.00 177.26 176.13 1mif s VAL 10 N -2.26 2.28 0.30 3.53 1.01 -1.26 -4.16 120.40 119.84 1mif s VAL 10 Ca 0.34 0.28 -0.29 0.00 0.00 0.00 0.00 61.98 62.31 1mif s VAL 10 Cb 0.21 -3.18 -0.10 0.00 0.00 0.00 0.00 36.38 33.30 1mif s VAL 10 CO 0.42 0.06 1.40 -2.16 0.00 0.00 0.00 175.10 174.83 1mif s PRO 11 N -1.81 4.27 0.31 2.72 0.04 -1.26 -1.36 135.00 137.91 1mif s PRO 11 Ca 0.53 2.32 0.07 0.00 0.04 0.00 0.00 61.00 63.96 1mif s PRO 11 Cb -0.44 -3.07 0.87 0.00 0.04 0.00 0.00 34.50 31.90 1mif s PRO 11 CO 0.58 -0.36 1.64 -0.09 0.04 0.00 0.00 177.00 178.81 1mif h ARG 12 N 4.13 0.21 0.00 4.56 2.43 -1.92 0.36 114.38 124.15 1mif h ARG 12 Ca -0.48 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 58.68 1mif h ARG 12 Cb 1.22 -0.05 0.00 0.00 -0.42 0.00 0.00 29.97 30.73 1mif h ARG 12 CO 0.71 0.14 0.09 0.00 -1.51 0.00 0.00 179.97 179.40 1mif n ALA 13 N -2.58 0.85 0.81 2.80 0.00 -1.26 -0.17 120.51 120.95 1mif n ALA 13 Ca 0.26 0.00 0.09 0.00 0.00 0.00 0.00 53.44 53.79 1mif n ALA 13 Cb 0.82 -0.80 0.03 0.00 0.00 0.00 0.00 19.45 19.50 1mif n ALA 13 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1mif n SER 14 N -1.33 2.11 -4.59 0.00 7.64 0.13 -4.87 113.62 112.71 1mif n SER 14 Ca 0.00 -1.55 -0.43 0.00 1.01 0.00 0.00 58.87 57.90 1mif n SER 14 Cb 0.09 0.28 -0.03 0.00 -1.01 0.00 0.00 64.21 63.54 1mif n SER 14 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 1mif s VAL 15 N -1.89 4.29 0.41 0.44 1.01 0.76 -4.81 120.40 120.60 1mif s VAL 15 Ca 0.18 1.09 -0.26 0.00 0.00 0.00 0.00 61.98 62.98 1mif s VAL 15 Cb 0.15 -4.55 -0.09 0.00 0.00 0.00 0.00 36.38 31.89 1mif s VAL 15 CO 0.37 -0.95 1.38 -2.16 0.00 0.00 0.00 175.10 173.74 1mif s PRO 16 N 4.23 3.92 0.46 2.72 0.04 -1.26 -4.96 135.00 140.16 1mif s PRO 16 Ca 0.45 2.34 -0.25 0.00 0.04 0.00 0.00 61.00 63.58 1mif s PRO 16 Cb -0.08 -2.79 -0.08 0.00 0.04 0.00 0.00 34.50 31.60 1mif s PRO 16 CO 0.30 -0.60 1.41 -0.51 0.04 0.00 0.00 177.00 177.64 1mif s ASP 17 N -0.52 5.81 0.00 6.66 1.01 -1.26 -1.76 116.67 126.62 1mif s ASP 17 Ca 0.57 2.88 0.00 0.00 0.71 0.00 0.00 52.55 56.71 1mif s ASP 17 Cb -0.42 -2.65 0.00 0.00 1.01 0.00 0.00 42.92 40.86 1mif s ASP 17 CO 0.55 -1.21 0.00 0.61 0.21 0.00 0.00 175.17 175.32 1mif n GLY 18 N 0.60 1.11 0.15 0.21 0.00 -1.26 -4.95 105.19 101.05 1mif n GLY 18 Ca 0.06 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.02 1mif n GLY 18 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1mif h PHE 19 N 0.00 0.14 -0.69 1.61 3.57 -1.72 0.37 116.94 120.23 1mif h PHE 19 Ca 0.00 0.02 -0.07 0.00 3.53 0.00 0.00 57.97 61.45 1mif h PHE 19 Cb 0.00 -0.01 -0.03 0.00 2.79 0.00 0.00 35.95 38.70 1mif h PHE 19 CO 0.00 0.04 0.17 -0.07 -2.23 0.00 0.00 178.31 176.22 1mif h LEU 20 N 0.21 1.03 -0.46 0.59 4.07 -1.92 0.16 115.31 118.98 1mif h LEU 20 Ca 0.16 -0.21 -0.10 0.00 0.08 0.00 0.00 57.88 57.81 1mif h LEU 20 Cb 0.17 -0.27 -0.01 0.00 1.08 0.00 0.00 40.66 41.62 1mif h LEU 20 CO -0.20 0.99 -0.11 0.28 -1.08 0.00 0.00 178.44 178.32 1mif h SER 21 N 1.04 0.89 0.04 -0.43 0.02 -1.89 0.11 113.55 113.33 1mif h SER 21 Ca 0.22 -0.36 0.01 0.00 -0.84 0.00 0.00 61.79 60.82 1mif h SER 21 Cb 0.36 -0.24 -0.02 0.00 0.14 0.00 0.00 62.40 62.64 1mif h SER 21 CO 0.00 1.05 -0.10 -0.08 -1.14 0.00 0.00 176.83 176.56 1mif h GLU 22 N 0.73 -0.19 -0.91 3.45 4.81 0.32 0.29 114.58 123.08 1mif h GLU 22 Ca 0.12 0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.35 1mif h GLU 22 Cb 0.65 0.04 -0.04 0.00 0.63 0.00 0.00 28.75 30.03 1mif h GLU 22 CO 0.04 -0.12 0.53 -0.07 -0.73 0.00 0.00 179.01 178.66 1mif h LEU 23 N -0.19 1.12 0.27 1.64 3.38 -0.57 -0.86 115.31 120.09 1mif h LEU 23 Ca 0.02 -0.08 -0.01 0.00 0.09 0.00 0.00 57.88 57.90 1mif h LEU 23 Cb 0.22 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 40.69 1mif h LEU 23 CO -0.07 0.87 -0.13 0.74 0.09 0.00 0.00 178.44 179.94 1mif h THR 24 N 1.27 0.75 0.27 0.22 2.02 0.11 0.11 112.91 117.66 1mif h THR 24 Ca 0.33 -0.14 -0.00 0.00 0.77 0.00 0.00 66.41 67.37 1mif h THR 24 Cb -0.02 0.83 -0.03 0.00 -1.74 0.00 0.00 68.15 67.19 1mif h THR 24 CO -0.06 0.03 -0.41 1.56 0.37 0.00 0.00 175.52 177.01 1mif h GLN 25 N -0.43 -0.69 -0.97 6.66 1.08 -0.18 -1.28 115.11 119.29 1mif h GLN 25 Ca -0.04 0.05 0.03 0.00 -1.45 0.00 0.00 58.65 57.24 1mif h GLN 25 Cb 0.33 0.16 -0.05 0.00 -0.05 0.00 0.00 27.48 27.86 1mif h GLN 25 CO 0.06 -0.46 0.64 1.96 -0.95 0.00 0.00 178.83 180.08 1mif h GLN 26 N -0.72 1.23 -0.56 1.46 1.08 -1.15 -2.18 115.11 114.26 1mif h GLN 26 Ca -0.03 -0.07 -0.10 0.00 -1.45 0.00 0.00 58.65 57.00 1mif h GLN 26 Cb 0.66 -0.28 -0.02 0.00 -0.05 0.00 0.00 27.48 27.79 1mif h GLN 26 CO -0.13 0.81 -0.04 -0.07 -0.95 0.00 0.00 178.83 178.46 1mif h LEU 27 N 1.26 1.00 -0.27 1.46 3.38 -0.67 0.56 115.31 122.05 1mif h LEU 27 Ca 0.38 -0.32 0.05 0.00 0.09 0.00 0.00 57.88 58.07 1mif h LEU 27 Cb -0.06 -0.27 -0.05 0.00 0.09 0.00 0.00 40.66 40.38 1mif h LEU 27 CO -0.10 1.09 -0.04 0.00 0.09 0.00 0.00 178.44 179.47 1mif h ALA 28 N 0.95 0.20 0.25 1.53 0.00 -0.74 0.21 119.26 121.67 1mif h ALA 28 Ca 0.15 0.09 -0.01 0.00 0.00 0.00 0.00 54.91 55.15 1mif h ALA 28 Cb 0.59 0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.56 1mif h ALA 28 CO 0.04 -0.45 -0.12 0.37 0.00 0.00 0.00 179.25 179.08 1mif h GLN 29 N 0.03 -0.33 -0.75 0.00 4.15 -1.22 2.64 115.11 119.62 1mif h GLN 29 Ca 0.13 0.02 0.07 0.00 0.77 0.00 0.00 58.65 59.64 1mif h GLN 29 Cb 0.19 0.07 -0.06 0.00 0.21 0.00 0.00 27.48 27.89 1mif h GLN 29 CO -0.25 -0.16 0.44 0.00 -1.93 0.00 0.00 178.83 176.92 1mif h ALA 30 N 0.31 1.03 0.00 3.38 0.00 -0.57 -2.38 119.26 121.03 1mif h ALA 30 Ca -0.03 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1mif h ALA 30 Cb 0.32 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.95 1mif h ALA 30 CO 0.06 0.13 -0.90 0.25 0.00 0.00 0.00 179.25 178.78 1mif n THR 31 N -4.73 0.10 -3.01 0.00 -2.24 0.70 -4.97 114.28 100.13 1mif n THR 31 Ca 0.10 -0.14 -0.21 0.00 -2.27 0.00 0.00 64.05 61.53 1mif n THR 31 Cb 0.19 0.36 0.04 0.00 -2.10 0.00 0.00 70.33 68.82 1mif n THR 31 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1mif n GLY 32 N 1.42 -0.44 3.50 3.38 0.00 0.88 -4.96 105.19 108.97 1mif n GLY 32 Ca 0.03 0.08 -0.30 0.00 0.00 0.00 0.00 46.02 45.82 1mif n GLY 32 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1mif s LYS 33 N -5.67 2.08 -0.31 1.61 1.02 -0.72 -5.01 119.74 112.74 1mif s LYS 33 Ca 0.31 -0.99 -0.39 0.00 0.02 0.00 0.00 55.97 54.91 1mif s LYS 33 Cb -0.13 -2.23 -0.15 0.00 -0.52 0.00 0.00 37.83 34.80 1mif s LYS 33 CO 0.38 0.53 1.89 -2.30 -0.92 0.00 0.00 175.35 174.93 1mif n PRO 34 N 1.28 1.05 0.05 -1.68 -0.02 -1.26 -4.59 135.00 129.82 1mif n PRO 34 Ca -0.16 0.36 0.21 0.00 -2.02 0.00 0.00 63.50 61.89 1mif n PRO 34 Cb 0.52 -2.15 0.74 0.00 -0.02 0.00 0.00 33.50 32.59 1mif n PRO 34 CO 0.00 0.00 0.00 -1.00 1.98 0.00 0.00 175.50 176.48 1mif h PRO 35 N 8.65 0.00 0.00 0.52 0.13 -1.92 0.22 132.00 139.60 1mif h PRO 35 Ca -0.39 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.74 1mif h PRO 35 Cb 1.33 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.46 1mif h PRO 35 CO 0.99 0.00 0.00 0.37 -0.23 0.00 0.00 178.00 179.13 1mif h GLN 36 N 0.00 0.00 -0.40 0.86 5.75 -1.98 -2.02 115.11 117.32 1mif h GLN 36 Ca 0.22 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.72 1mif h GLN 36 Cb 1.04 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.59 1mif h GLN 36 CO -0.00 0.00 0.00 0.66 -2.65 0.00 0.00 178.83 176.84 1mif n TYR 37 N -2.34 0.51 -4.06 3.99 4.01 0.78 -4.95 117.16 115.11 1mif n TYR 37 Ca -0.00 -0.28 -0.35 0.00 -0.16 0.00 0.00 57.90 57.11 1mif n TYR 37 Cb 0.10 -0.00 -0.14 0.00 -0.31 0.00 0.00 39.34 38.99 1mif n TYR 37 CO 0.00 0.00 0.00 0.96 -0.46 0.00 0.00 176.86 177.36 1mif s ILE 38 N -1.38 3.30 0.07 -0.72 -4.36 -0.76 -3.24 121.20 114.11 1mif s ILE 38 Ca 0.37 -0.53 -0.05 0.00 -0.26 0.00 0.00 60.65 60.18 1mif s ILE 38 Cb 0.22 -2.48 -0.05 0.00 1.25 0.00 0.00 42.46 41.40 1mif s ILE 38 CO 0.30 0.45 0.32 0.00 0.24 0.00 0.00 174.94 176.24 1mif s ALA 39 N 1.26 3.84 -0.02 2.27 0.00 -0.71 -4.98 121.76 123.41 1mif s ALA 39 Ca 0.03 -0.58 0.03 0.00 0.00 0.00 0.00 51.96 51.44 1mif s ALA 39 Cb -0.14 -2.08 -0.01 0.00 0.00 0.00 0.00 23.12 20.89 1mif s ALA 39 CO -0.02 0.67 -0.11 0.08 0.00 0.00 0.00 175.76 176.38 1mif s VAL 40 N -1.48 0.89 -0.05 0.00 1.01 -1.26 -1.80 120.40 117.72 1mif s VAL 40 Ca 0.34 -0.46 -0.01 0.00 0.00 0.00 0.00 61.98 61.85 1mif s VAL 40 Cb -0.13 -0.76 0.03 0.00 0.00 0.00 0.00 36.38 35.52 1mif s VAL 40 CO 0.21 0.26 0.02 -2.28 0.00 0.00 0.00 175.10 173.31 1mif s HIS 41 N -0.12 0.32 -0.08 5.22 2.46 0.16 -4.96 115.29 118.29 1mif s HIS 41 Ca 0.02 0.05 0.05 0.00 0.47 0.00 0.00 55.06 55.65 1mif s HIS 41 Cb -0.06 -0.54 -0.01 0.00 -0.13 0.00 0.00 32.58 31.84 1mif s HIS 41 CO -0.00 -0.21 -0.24 0.08 -2.47 0.00 0.00 174.74 171.90 1mif s VAL 42 N 1.71 2.05 -0.29 0.89 1.01 -1.26 -0.52 120.40 123.98 1mif s VAL 42 Ca -0.00 -1.04 0.00 0.00 0.00 0.00 0.00 61.98 60.94 1mif s VAL 42 Cb -0.13 -1.75 0.09 0.00 0.00 0.00 0.00 36.38 34.59 1mif s VAL 42 CO -0.03 0.56 0.06 -0.69 0.00 0.00 0.00 175.10 175.00 1mif s VAL 43 N 0.09 1.22 0.75 2.92 1.01 0.12 -4.95 120.40 121.57 1mif s VAL 43 Ca -0.11 -1.48 -0.03 0.00 0.00 0.00 0.00 61.98 60.35 1mif s VAL 43 Cb -0.16 -1.83 0.13 0.00 0.00 0.00 0.00 36.38 34.52 1mif s VAL 43 CO 0.06 -0.53 1.04 -2.16 0.00 0.00 0.00 175.10 173.51 1mif s PRO 44 N 1.46 1.57 -1.33 2.72 0.04 -1.26 -1.75 135.00 136.45 1mif s PRO 44 Ca 0.07 -0.98 -0.01 0.00 0.04 0.00 0.00 61.00 60.11 1mif s PRO 44 Cb -0.18 -2.26 -0.00 0.00 0.04 0.00 0.00 34.50 32.10 1mif s PRO 44 CO -0.17 -1.56 0.61 -0.25 0.04 0.00 0.00 177.00 175.66 1mif n ASP 45 N -2.95 -1.18 -4.81 6.66 8.00 -0.47 -4.87 116.55 116.93 1mif n ASP 45 Ca 0.15 -0.89 -0.32 0.00 0.71 0.00 0.00 54.79 54.43 1mif n ASP 45 Cb 0.60 -3.69 -0.06 0.00 -0.02 0.00 0.00 41.12 37.95 1mif n ASP 45 CO 0.00 0.00 0.00 -1.10 -0.39 0.00 0.00 177.20 175.71 1mif s GLN 46 N -6.15 3.10 -0.85 -1.24 -1.52 -0.95 -4.99 119.66 107.06 1mif s GLN 46 Ca 0.04 -0.52 -0.25 0.00 -1.95 0.00 0.00 55.36 52.68 1mif s GLN 46 Cb -0.01 -2.87 0.05 0.00 -0.22 0.00 0.00 33.01 29.96 1mif s GLN 46 CO 0.84 0.62 1.31 -0.51 -0.25 0.00 0.00 175.29 177.30 1mif s LEU 47 N -2.05 3.49 0.10 2.90 1.43 -1.26 -4.23 118.68 119.07 1mif s LEU 47 Ca 0.27 -0.96 0.05 0.00 -1.03 0.00 0.00 54.13 52.46 1mif s LEU 47 Cb -0.12 -2.54 -0.03 0.00 0.03 0.00 0.00 46.19 43.52 1mif s LEU 47 CO 0.19 -1.64 -0.13 -0.04 0.23 0.00 0.00 176.35 174.95 1mif s MET 48 N 5.15 0.92 -0.00 1.70 -1.94 -1.26 -5.07 119.30 118.79 1mif s MET 48 Ca 0.38 -1.13 -0.01 0.00 -1.71 0.00 0.00 55.69 53.22 1mif s MET 48 Cb -0.06 -0.79 -0.00 0.00 2.01 0.00 0.00 34.83 35.99 1mif s MET 48 CO 0.04 0.15 0.01 0.00 -0.01 0.00 0.00 175.02 175.21 1mif s ALA 49 N -1.95 -0.01 -0.10 3.03 0.00 -1.26 -4.63 121.76 116.83 1mif s ALA 49 Ca 0.05 -0.07 -0.03 0.00 0.00 0.00 0.00 51.96 51.91 1mif s ALA 49 Cb -0.06 0.01 0.04 0.00 0.00 0.00 0.00 23.12 23.11 1mif s ALA 49 CO 0.02 -0.04 0.04 0.12 0.00 0.00 0.00 175.76 175.91 1mif s PHE 50 N -0.27 0.45 -1.34 0.00 2.19 0.73 -4.77 117.98 114.97 1mif s PHE 50 Ca -0.03 -0.19 -0.05 0.00 0.33 0.00 0.00 56.93 56.99 1mif s PHE 50 Cb -0.02 -0.72 0.01 0.00 -1.31 0.00 0.00 43.02 40.97 1mif s PHE 50 CO -0.00 -0.38 0.69 0.41 1.83 0.00 0.00 175.22 177.77 1mif n GLY 51 N 5.20 -0.39 3.46 13.12 0.00 -1.26 -0.98 105.19 124.34 1mif n GLY 51 Ca -0.06 0.07 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1mif n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1mif n GLY 52 N -1.56 1.26 3.91 -0.02 0.00 -1.26 -4.98 105.19 102.54 1mif n GLY 52 Ca -0.07 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.69 1mif n GLY 52 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1mif s SER 53 N -2.97 6.12 0.00 1.61 0.15 -0.16 -5.01 113.70 113.44 1mif s SER 53 Ca 0.00 0.09 0.17 0.00 0.70 0.00 0.00 55.95 56.90 1mif s SER 53 Cb 0.00 -1.78 0.29 0.00 -1.71 0.00 0.00 66.02 62.81 1mif s SER 53 CO 0.00 0.05 1.20 -1.20 1.20 0.00 0.00 173.24 174.49 1mif n SER 54 N -0.50 2.88 -4.66 5.45 7.64 -1.26 -0.20 113.62 122.96 1mif n SER 54 Ca -0.07 -1.84 -0.31 0.00 1.01 0.00 0.00 58.87 57.66 1mif n SER 54 Cb 0.54 -0.16 0.17 0.00 -1.01 0.00 0.00 64.21 63.75 1mif n SER 54 CO 0.00 0.00 0.00 -1.61 -3.01 0.00 0.00 175.04 170.42 1mif s GLU 55 N -1.22 0.90 0.04 1.43 0.41 -1.26 -4.82 118.70 114.18 1mif s GLU 55 Ca 0.27 1.38 -0.37 0.00 -0.41 0.00 0.00 54.97 55.84 1mif s GLU 55 Cb 0.16 -1.73 -0.19 0.00 -1.78 0.00 0.00 34.13 30.59 1mif s GLU 55 CO 0.22 -2.66 0.95 -2.30 -0.49 0.00 0.00 175.26 170.98 1mif n PRO 56 N -4.24 0.00 -3.75 0.39 -0.02 -1.26 -4.87 135.00 121.26 1mif n PRO 56 Ca 0.10 0.00 -0.09 0.00 -2.02 0.00 0.00 63.50 61.49 1mif n PRO 56 Cb 0.53 -1.39 -0.04 0.00 -0.02 0.00 0.00 33.50 32.58 1mif n PRO 56 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1mif s ALA 58 N -3.88 -0.55 -0.30 0.00 0.00 -0.18 -3.32 121.76 113.54 1mif s ALA 58 Ca 0.10 0.76 -0.00 0.00 0.00 0.00 0.00 51.96 52.82 1mif s ALA 58 Cb -0.01 -0.46 0.06 0.00 0.00 0.00 0.00 23.12 22.70 1mif s ALA 58 CO -0.02 -0.14 -0.02 -0.51 0.00 0.00 0.00 175.76 175.07 1mif s LEU 59 N 0.55 3.87 0.44 0.00 1.43 0.57 -1.25 118.68 124.30 1mif s LEU 59 Ca -0.04 -1.37 0.07 0.00 -1.03 0.00 0.00 54.13 51.76 1mif s LEU 59 Cb -0.05 -1.67 -0.03 0.00 0.03 0.00 0.00 46.19 44.46 1mif s LEU 59 CO -0.03 -0.26 0.22 0.00 0.23 0.00 0.00 176.35 176.51 1mif s SER 61 N -3.98 -0.27 -0.18 0.00 0.01 -0.41 -1.62 113.70 107.25 1mif s SER 61 Ca 0.38 0.41 -0.02 0.00 1.31 0.00 0.00 55.95 58.02 1mif s SER 61 Cb 0.02 0.51 0.05 0.00 0.21 0.00 0.00 66.02 66.82 1mif s SER 61 CO 0.21 -0.25 0.02 -0.22 0.41 0.00 0.00 173.24 173.41 1mif s LEU 62 N -0.45 1.29 -0.15 2.44 0.20 0.04 -1.77 118.68 120.27 1mif s LEU 62 Ca -0.06 -0.76 -0.05 0.00 0.69 0.00 0.00 54.13 53.96 1mif s LEU 62 Cb -0.04 -0.66 -0.03 0.00 -0.43 0.00 0.00 46.19 45.03 1mif s LEU 62 CO 0.02 -0.28 0.00 -1.00 -0.29 0.00 0.00 176.35 174.80 1mif s HIS 63 N 1.81 3.12 -0.14 5.38 3.76 -0.06 -0.96 115.29 128.20 1mif s HIS 63 Ca -0.01 -0.09 -0.21 0.00 -0.15 0.00 0.00 55.06 54.60 1mif s HIS 63 Cb -0.17 -1.97 0.05 0.00 1.11 0.00 0.00 32.58 31.61 1mif s HIS 63 CO -0.07 0.11 0.53 0.45 -0.85 0.00 0.00 174.74 174.91 1mif s SER 64 N 0.15 -0.52 0.03 1.40 0.15 -0.72 -1.23 113.70 112.95 1mif s SER 64 Ca 0.01 0.83 -0.29 0.00 0.70 0.00 0.00 55.95 57.20 1mif s SER 64 Cb -0.13 0.84 -0.17 0.00 -1.71 0.00 0.00 66.02 64.85 1mif s SER 64 CO 0.02 -0.33 1.26 0.40 1.20 0.00 0.00 173.24 175.79 1mif h ILE 65 N 3.92 0.16 0.00 6.45 2.04 -1.86 0.80 117.51 129.02 1mif h ILE 65 Ca -0.28 -0.26 0.00 0.00 1.00 0.00 0.00 64.86 65.32 1mif h ILE 65 Cb 1.17 0.20 0.00 0.00 -0.74 0.00 0.00 36.82 37.45 1mif h ILE 65 CO 0.26 0.02 0.00 0.61 0.00 0.00 0.00 178.15 179.03 1mif n GLY 66 N -0.86 3.34 3.82 5.37 0.00 -1.26 -3.99 105.19 111.61 1mif n GLY 66 Ca -0.13 -0.94 -0.28 0.00 0.00 0.00 0.00 46.02 44.67 1mif n GLY 66 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1mif n LYS 67 N 0.00 -1.85 -3.79 1.61 4.76 -1.26 -4.89 118.16 112.73 1mif n LYS 67 Ca 0.00 0.16 -0.13 0.00 -2.87 0.00 0.00 58.31 55.47 1mif n LYS 67 Cb 0.00 -4.75 -0.14 0.00 -1.84 0.00 0.00 35.03 28.29 1mif n LYS 67 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 1mif s ILE 68 N -2.88 -0.03 -0.04 -0.18 1.01 -1.26 -4.88 121.20 112.93 1mif s ILE 68 Ca 0.55 0.13 0.00 0.00 0.00 0.00 0.00 60.65 61.33 1mif s ILE 68 Cb -0.32 -0.16 0.00 0.00 0.01 0.00 0.00 42.46 41.99 1mif s ILE 68 CO 0.68 0.05 0.00 0.61 0.00 0.00 0.00 174.94 176.28 1mif n GLY 69 N 3.79 -1.10 0.01 6.18 0.00 -1.26 -5.00 105.19 107.82 1mif n GLY 69 Ca -0.22 -1.01 -0.00 0.00 0.00 0.00 0.00 46.02 44.79 1mif n GLY 69 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1mif h GLY 70 N 0.00 -2.45 0.81 -0.02 0.00 -2.00 0.59 103.07 99.99 1mif h GLY 70 Ca 0.00 1.06 0.02 0.00 0.00 0.00 0.00 47.33 48.42 1mif h GLY 70 CO 0.00 -0.93 0.05 0.00 0.00 0.00 0.00 176.54 175.66 1mif h ALA 71 N -1.05 0.20 -0.76 3.60 0.00 -2.00 -2.36 119.26 116.88 1mif h ALA 71 Ca 0.00 0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.91 1mif h ALA 71 Cb 0.01 0.03 -0.04 0.00 0.00 0.00 0.00 17.79 17.80 1mif h ALA 71 CO -0.02 -0.38 0.34 -0.56 0.00 0.00 0.00 179.25 178.62 1mif h GLN 72 N 0.13 1.11 -0.95 0.00 3.07 -1.90 -1.43 115.11 115.14 1mif h GLN 72 Ca 0.09 -0.17 0.03 0.00 0.09 0.00 0.00 58.65 58.69 1mif h GLN 72 Cb 0.07 -0.19 -0.05 0.00 0.08 0.00 0.00 27.48 27.38 1mif h GLN 72 CO -0.10 0.88 0.62 -0.91 0.09 0.00 0.00 178.83 179.41 1mif h ASN 73 N 1.10 1.04 -0.37 0.06 2.35 -0.66 0.46 115.58 119.56 1mif h ASN 73 Ca 0.26 -0.01 0.00 0.00 -0.55 0.00 0.00 56.30 56.00 1mif h ASN 73 Cb 0.15 -0.24 -0.02 0.00 0.05 0.00 0.00 38.32 38.27 1mif h ASN 73 CO -0.03 0.71 0.23 -0.09 -1.65 0.00 0.00 177.43 176.61 1mif h ARG 74 N 1.20 0.50 0.00 0.81 2.43 -0.75 -0.09 114.38 118.48 1mif h ARG 74 Ca 0.38 -0.04 -0.14 0.00 -0.81 0.00 0.00 59.98 59.37 1mif h ARG 74 Cb -0.00 -0.11 -0.02 0.00 -0.42 0.00 0.00 29.97 29.42 1mif h ARG 74 CO -0.11 0.35 -0.65 0.66 -1.51 0.00 0.00 179.97 178.71 1mif h SER 75 N 0.49 0.00 -0.84 -3.80 4.64 -0.47 -2.69 113.55 110.88 1mif h SER 75 Ca 0.13 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.44 1mif h SER 75 Cb -0.02 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.03 1mif h SER 75 CO -0.03 0.65 0.47 1.88 -0.87 0.00 0.00 176.83 178.94 1mif h TYR 76 N 0.00 1.15 -0.04 4.77 0.05 0.43 -2.51 116.97 120.81 1mif h TYR 76 Ca -0.01 -0.02 0.00 0.00 0.05 0.00 0.00 58.73 58.75 1mif h TYR 76 Cb 1.31 -0.37 -0.00 0.00 1.01 0.00 0.00 36.73 38.68 1mif h TYR 76 CO 0.00 0.79 0.03 0.77 -1.05 0.00 0.00 178.16 178.70 1mif h SER 77 N 1.17 0.04 0.10 3.88 0.02 -0.73 0.29 113.55 118.33 1mif h SER 77 Ca 0.30 -0.00 0.02 0.00 -0.84 0.00 0.00 61.79 61.27 1mif h SER 77 Cb 0.01 -0.01 -0.04 0.00 0.14 0.00 0.00 62.40 62.50 1mif h SER 77 CO -0.05 0.03 -0.30 0.50 -1.14 0.00 0.00 176.83 175.87 1mif h LYS 78 N 0.05 -0.50 -0.29 3.45 3.64 -1.20 0.28 116.57 122.01 1mif h LYS 78 Ca 0.01 0.03 0.06 0.00 -1.27 0.00 0.00 60.65 59.49 1mif h LYS 78 Cb -0.01 0.11 -0.06 0.00 -0.41 0.00 0.00 32.23 31.87 1mif h LYS 78 CO -0.00 -0.33 -0.10 1.25 -2.27 0.00 0.00 179.45 178.00 1mif h LEU 79 N -0.51 -0.34 -0.23 5.20 5.85 -1.32 0.34 115.31 124.28 1mif h LEU 79 Ca 0.03 0.10 -0.06 0.00 0.84 0.00 0.00 57.88 58.79 1mif h LEU 79 Cb 0.55 0.21 -0.01 0.00 0.37 0.00 0.00 40.66 41.78 1mif h LEU 79 CO -0.19 -0.13 -0.10 -0.07 -0.34 0.00 0.00 178.44 177.62 1mif h LEU 80 N -0.04 0.48 -1.21 2.25 4.07 0.04 -0.91 115.31 120.00 1mif h LEU 80 Ca 0.14 -0.40 -0.08 0.00 0.08 0.00 0.00 57.88 57.62 1mif h LEU 80 Cb 0.26 -0.13 -0.01 0.00 1.08 0.00 0.00 40.66 41.85 1mif h LEU 80 CO -0.32 0.77 -0.39 0.00 -1.08 0.00 0.00 178.44 177.42 1mif h GLY 82 N 1.20 -1.07 -0.10 0.00 0.00 -0.05 -1.84 103.07 101.20 1mif h GLY 82 Ca -0.00 0.40 0.09 0.00 0.00 0.00 0.00 47.33 47.82 1mif h GLY 82 CO 0.05 -0.39 -0.23 1.41 0.00 0.00 0.00 176.54 177.38 1mif h LEU 83 N -1.19 -0.78 -0.97 3.11 3.38 -0.97 0.22 115.31 118.11 1mif h LEU 83 Ca -0.11 0.17 0.06 0.00 0.09 0.00 0.00 57.88 58.10 1mif h LEU 83 Cb 0.79 0.41 -0.06 0.00 0.09 0.00 0.00 40.66 41.89 1mif h LEU 83 CO 0.17 -0.25 0.63 -0.07 0.09 0.00 0.00 178.44 179.01 1mif h LEU 84 N -0.14 1.01 -0.07 1.67 3.38 -1.21 0.13 115.31 120.08 1mif h LEU 84 Ca 0.21 0.01 -0.02 0.00 0.09 0.00 0.00 57.88 58.17 1mif h LEU 84 Cb 0.47 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 41.01 1mif h LEU 84 CO -0.53 0.65 -0.03 0.00 0.09 0.00 0.00 178.44 178.62 1mif h ALA 85 N 1.44 0.10 -0.76 1.53 0.00 -0.39 0.45 119.26 121.62 1mif h ALA 85 Ca 0.41 -0.23 -0.04 0.00 0.00 0.00 0.00 54.91 55.05 1mif h ALA 85 Cb 0.14 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 17.87 1mif h ALA 85 CO -0.17 -0.15 0.32 1.49 0.00 0.00 0.00 179.25 180.74 1mif h GLU 86 N -0.22 1.13 0.05 0.00 4.81 -0.33 0.19 114.58 120.23 1mif h GLU 86 Ca 0.02 -0.20 -0.37 0.00 -0.13 0.00 0.00 59.36 58.67 1mif h GLU 86 Cb 0.46 -0.19 -0.05 0.00 0.63 0.00 0.00 28.75 29.61 1mif h GLU 86 CO 0.01 0.92 -2.23 0.54 -0.73 0.00 0.00 179.01 177.51 1mif n ARG 87 N -4.33 0.70 0.00 1.92 5.12 0.39 -4.46 116.66 116.00 1mif n ARG 87 Ca 0.07 0.20 0.10 0.00 -1.93 0.00 0.00 57.85 56.28 1mif n ARG 87 Cb 0.17 -1.61 0.06 0.00 -1.16 0.00 0.00 32.46 29.93 1mif n ARG 87 CO 0.00 0.00 0.00 1.28 -1.93 0.00 0.00 177.63 176.98 1mif n LEU 88 N -3.32 2.51 -3.76 0.55 4.77 0.10 -4.78 117.00 113.08 1mif n LEU 88 Ca -0.38 -0.94 -0.24 0.00 -0.03 0.00 0.00 56.01 54.41 1mif n LEU 88 Cb 1.03 0.00 0.04 0.00 -2.33 0.00 0.00 43.42 42.15 1mif n LEU 88 CO 0.35 0.44 0.02 0.54 -1.33 0.00 0.00 177.39 177.41 1mif n ARG 89 N 0.87 -5.40 -3.98 3.23 1.74 0.68 -4.95 116.66 108.84 1mif n ARG 89 Ca 0.11 0.63 -0.36 0.00 -0.77 0.00 0.00 57.85 57.46 1mif n ARG 89 Cb 0.49 -5.36 -0.07 0.00 -1.02 0.00 0.00 32.46 26.50 1mif n ARG 89 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 1mif s ILE 90 N -3.51 5.22 0.11 0.55 1.01 -1.20 -4.96 121.20 118.41 1mif s ILE 90 Ca 0.28 0.10 -0.30 0.00 0.00 0.00 0.00 60.65 60.73 1mif s ILE 90 Cb -0.14 -3.27 -0.06 0.00 0.01 0.00 0.00 42.46 39.00 1mif s ILE 90 CO 0.81 0.60 1.12 -0.55 0.00 0.00 0.00 174.94 176.92 1mif s SER 91 N -0.85 7.22 0.62 3.58 0.15 -1.26 -3.83 113.70 119.33 1mif s SER 91 Ca 0.14 2.00 0.31 0.00 0.70 0.00 0.00 55.95 59.10 1mif s SER 91 Cb -0.12 -2.59 1.74 0.00 -1.71 0.00 0.00 66.02 63.34 1mif s SER 91 CO 0.03 -0.31 2.06 1.55 1.20 0.00 0.00 173.24 177.77 1mif h PRO 92 N 5.97 0.00 -0.10 5.44 0.13 -1.96 0.16 132.00 141.63 1mif h PRO 92 Ca -0.43 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.70 1mif h PRO 92 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 1mif h PRO 92 CO 0.76 0.00 0.00 -0.40 -0.23 0.00 0.00 178.00 178.13 1mif n ASP 93 N -3.42 0.88 -2.06 1.44 5.75 -1.26 -3.28 116.55 114.60 1mif n ASP 93 Ca 0.01 -1.63 -0.20 0.00 -0.01 0.00 0.00 54.79 52.96 1mif n ASP 93 Cb 0.36 -0.06 0.03 0.00 -1.03 0.00 0.00 41.12 40.41 1mif n ASP 93 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 1mif n ARG 94 N -0.18 3.30 -3.81 0.11 1.74 0.55 -4.99 116.66 113.38 1mif n ARG 94 Ca 0.14 -4.05 -0.18 0.00 -0.77 0.00 0.00 57.85 52.99 1mif n ARG 94 Cb 0.20 -2.16 -0.17 0.00 -1.02 0.00 0.00 32.46 29.30 1mif n ARG 94 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1mif s VAL 95 N -4.43 0.07 -0.03 1.55 1.01 -1.20 -1.01 120.40 116.35 1mif s VAL 95 Ca 0.48 0.20 0.05 0.00 0.00 0.00 0.00 61.98 62.71 1mif s VAL 95 Cb 0.40 -0.22 -0.03 0.00 0.00 0.00 0.00 36.38 36.53 1mif s VAL 95 CO 0.03 0.15 -0.18 -0.31 0.00 0.00 0.00 175.10 174.78 1mif s TYR 96 N 1.40 2.58 -0.11 5.22 2.02 -0.38 -4.99 117.35 123.09 1mif s TYR 96 Ca -0.05 -0.25 -0.01 0.00 -0.37 0.00 0.00 57.07 56.39 1mif s TYR 96 Cb -0.13 -1.57 0.03 0.00 -0.40 0.00 0.00 41.96 39.90 1mif s TYR 96 CO -0.03 0.13 -0.01 0.42 -1.57 0.00 0.00 175.55 174.50 1mif s ILE 97 N -0.73 0.56 -0.11 2.71 1.01 -1.26 -0.81 121.20 122.57 1mif s ILE 97 Ca 0.12 -0.13 -0.17 0.00 0.00 0.00 0.00 60.65 60.46 1mif s ILE 97 Cb -0.10 -0.76 -0.04 0.00 0.01 0.00 0.00 42.46 41.56 1mif s ILE 97 CO 0.01 0.18 0.45 0.20 0.00 0.00 0.00 174.94 175.78 1mif s ASN 98 N 1.89 6.68 -0.21 3.58 0.02 -0.64 -4.96 114.94 121.29 1mif s ASN 98 Ca 0.04 0.80 -0.06 0.00 -1.02 0.00 0.00 52.86 52.62 1mif s ASN 98 Cb -0.13 -2.27 -0.03 0.00 0.02 0.00 0.00 41.25 38.83 1mif s ASN 98 CO -0.06 0.05 0.03 -0.31 0.02 0.00 0.00 177.10 176.82 1mif s TYR 99 N 0.42 3.09 -0.31 2.20 2.02 -1.26 -0.78 117.35 122.74 1mif s TYR 99 Ca 0.25 -0.33 0.04 0.00 -0.37 0.00 0.00 57.07 56.66 1mif s TYR 99 Cb -0.15 -2.12 0.09 0.00 -0.40 0.00 0.00 41.96 39.37 1mif s TYR 99 CO 0.10 -0.18 0.00 0.71 -1.57 0.00 0.00 175.55 174.61 1mif s TYR 100 N 1.02 3.57 -0.66 2.71 2.02 -0.13 -4.99 117.35 120.89 1mif s TYR 100 Ca 0.03 -2.77 -0.27 0.00 -0.37 0.00 0.00 57.07 53.69 1mif s TYR 100 Cb -0.14 -2.59 0.00 0.00 -0.40 0.00 0.00 41.96 38.83 1mif s TYR 100 CO 0.02 -0.93 1.61 0.34 -1.57 0.00 0.00 175.55 175.03 1mif s ASP 101 N 0.98 5.67 0.28 2.29 -1.08 -1.26 -1.76 116.67 121.78 1mif s ASP 101 Ca 0.05 0.02 -0.29 0.00 -0.52 0.00 0.00 52.55 51.80 1mif s ASP 101 Cb -0.19 -2.54 -0.09 0.00 -1.46 0.00 0.00 42.92 38.63 1mif s ASP 101 CO -0.07 -2.13 1.14 -0.32 0.52 0.00 0.00 175.17 174.31 1mif s MET 102 N 6.45 4.58 -0.32 4.34 1.75 0.28 -4.94 119.30 131.44 1mif s MET 102 Ca 0.54 1.87 -0.15 0.00 -1.25 0.00 0.00 55.69 56.70 1mif s MET 102 Cb -0.11 -3.18 -0.02 0.00 2.84 0.00 0.00 34.83 34.36 1mif s MET 102 CO 0.19 0.12 0.35 1.21 -0.65 0.00 0.00 175.02 176.23 1mif s ASN 103 N -0.69 6.18 0.56 1.11 2.47 -1.26 -4.16 114.94 119.15 1mif s ASN 103 Ca 0.46 -0.07 -0.20 0.00 0.42 0.00 0.00 52.86 53.47 1mif s ASN 103 Cb -0.33 -2.19 -0.06 0.00 -1.45 0.00 0.00 41.25 37.22 1mif s ASN 103 CO 0.42 -0.27 1.03 0.00 -3.72 0.00 0.00 177.10 174.56 1mif n ALA 104 N 5.34 0.39 0.00 1.71 0.00 -1.26 0.14 120.51 126.83 1mif n ALA 104 Ca -0.09 0.06 0.00 0.00 0.00 0.00 0.00 53.44 53.41 1mif n ALA 104 Cb 0.50 -2.14 0.00 0.00 0.00 0.00 0.00 19.45 17.81 1mif n ALA 104 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1mif n ALA 105 N -1.42 0.00 -0.99 0.00 0.00 -1.06 -4.79 120.51 112.26 1mif n ALA 105 Ca 0.12 0.00 0.09 0.00 0.00 0.00 0.00 53.44 53.66 1mif n ALA 105 Cb 0.45 0.00 0.15 0.00 0.00 0.00 0.00 19.45 20.06 1mif n ALA 105 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1mif n SER 106 N 0.00 2.60 -3.95 0.00 7.64 0.12 -4.94 113.62 115.09 1mif n SER 106 Ca 0.00 -3.00 -0.26 0.00 1.01 0.00 0.00 58.87 56.62 1mif n SER 106 Cb 0.00 -0.42 -0.17 0.00 -1.01 0.00 0.00 64.21 62.61 1mif n SER 106 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 1mif s VAL 107 N -2.74 1.05 -0.09 0.44 1.01 -1.25 -4.89 120.40 113.93 1mif s VAL 107 Ca 0.32 -0.35 -0.03 0.00 0.00 0.00 0.00 61.98 61.92 1mif s VAL 107 Cb 0.27 -1.02 -0.03 0.00 0.00 0.00 0.00 36.38 35.60 1mif s VAL 107 CO 0.04 0.36 0.04 -0.83 0.00 0.00 0.00 175.10 174.70 1mif s GLY 108 N 1.28 1.93 -0.27 4.51 0.00 -1.26 -2.82 107.32 110.68 1mif s GLY 108 Ca -0.03 -0.78 -0.24 0.00 0.00 0.00 0.00 44.72 43.67 1mif s GLY 108 CO -0.03 -0.55 0.72 0.86 0.00 0.00 0.00 173.10 174.10 1mif s TRP 109 N -0.94 -0.82 -1.29 1.90 -0.00 -1.04 -4.98 118.94 111.77 1mif s TRP 109 Ca 0.14 1.95 -0.26 0.00 -0.00 0.00 0.00 56.10 57.93 1mif s TRP 109 Cb -0.12 0.31 0.03 0.00 -0.00 0.00 0.00 33.47 33.69 1mif s TRP 109 CO 0.04 -0.39 0.54 -1.71 -0.00 0.00 0.00 176.95 175.42 1mif n ASN 110 N 2.85 -3.04 -1.05 5.86 4.05 -1.26 -2.30 115.26 120.37 1mif n ASN 110 Ca -0.15 -1.27 -0.14 0.00 0.45 0.00 0.00 54.58 53.48 1mif n ASN 110 Cb 0.55 -1.80 -0.06 0.00 1.23 0.00 0.00 39.78 39.71 1mif n ASN 110 CO 0.00 0.00 0.00 0.59 -3.05 0.00 0.00 177.26 174.80 1mif n ASN 111 N -2.36 -4.62 0.00 1.20 4.13 -1.26 -4.91 115.26 107.44 1mif n ASN 111 Ca -0.16 0.32 0.00 0.00 1.68 0.00 0.00 54.58 56.42 1mif n ASN 111 Cb 0.60 -3.33 0.00 0.00 -1.54 0.00 0.00 39.78 35.51 1mif n ASN 111 CO 0.00 0.00 0.00 -0.24 0.28 0.00 0.00 177.26 177.30 1mif n SER 112 N -0.20 0.00 -4.06 6.41 2.88 -0.97 -5.17 113.62 112.50 1mif n SER 112 Ca -0.14 0.00 -0.08 0.00 -1.33 0.00 0.00 58.87 57.33 1mif n SER 112 Cb 0.45 0.00 -0.10 0.00 -0.75 0.00 0.00 64.21 63.81 1mif n SER 112 CO 0.00 0.00 0.00 0.42 -1.23 0.00 0.00 175.04 174.23 1mif s THR 113 N -1.87 0.20 0.94 2.46 -4.23 -1.26 -2.51 115.64 109.37 1mif s THR 113 Ca 0.00 -1.55 -0.12 0.00 -1.18 0.00 0.00 61.69 58.84 1mif s THR 113 Cb 0.00 -1.16 0.15 0.00 1.34 0.00 0.00 72.50 72.84 1mif s THR 113 CO 0.00 -0.85 1.09 -0.36 -0.54 0.00 0.00 174.62 173.96 1mif s PHE 114 N -3.19 2.14 0.00 3.99 0.08 -1.13 -4.88 117.98 114.99 1mif s PHE 114 Ca 0.00 1.27 0.00 0.00 0.12 0.00 0.00 56.93 58.32 1mif s PHE 114 Cb 0.03 -3.18 0.00 0.00 -0.57 0.00 0.00 43.02 39.30 1mif s PHE 114 CO -0.07 -2.64 0.00 0.00 -0.10 0.00 0.00 175.22 172.41