#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1mfi s MET 2 N 0.00 0.74 -0.10 0.54 0.23 -0.43 -1.25 119.30 119.03 1mfi s MET 2 Ca 0.00 -0.31 0.03 0.00 -1.03 0.00 0.00 55.69 54.37 1mfi s MET 2 Cb 0.00 -0.71 0.01 0.00 -1.53 0.00 0.00 34.83 32.60 1mfi s MET 2 CO 0.00 0.18 -0.19 0.12 -2.03 0.00 0.00 175.02 173.10 1mfi s PHE 3 N -0.17 2.20 -0.05 3.16 5.36 0.15 -1.10 117.98 127.53 1mfi s PHE 3 Ca 0.03 -0.95 0.05 0.00 -0.96 0.00 0.00 56.93 55.10 1mfi s PHE 3 Cb -0.04 -1.52 -0.01 0.00 -0.34 0.00 0.00 43.02 41.11 1mfi s PHE 3 CO -0.00 -0.43 -0.21 0.42 -1.46 0.00 0.00 175.22 173.54 1mfi s ILE 4 N 0.61 1.73 -0.15 3.12 1.01 -0.04 -1.12 121.20 126.36 1mfi s ILE 4 Ca -0.14 -0.89 0.00 0.00 0.00 0.00 0.00 60.65 59.62 1mfi s ILE 4 Cb -0.17 -1.47 0.03 0.00 0.01 0.00 0.00 42.46 40.86 1mfi s ILE 4 CO 0.04 0.49 -0.10 -0.69 0.00 0.00 0.00 174.94 174.68 1mfi s VAL 5 N -0.09 1.37 -0.18 2.92 1.01 0.12 -1.41 120.40 124.14 1mfi s VAL 5 Ca -0.03 -0.61 -0.05 0.00 0.00 0.00 0.00 61.98 61.29 1mfi s VAL 5 Cb -0.12 -1.38 -0.03 0.00 0.00 0.00 0.00 36.38 34.85 1mfi s VAL 5 CO 0.03 0.33 -0.00 0.20 0.00 0.00 0.00 175.10 175.66 1mfi s ASN 6 N 1.55 4.95 0.03 3.32 -0.87 0.11 -0.28 114.94 123.76 1mfi s ASN 6 Ca 0.03 -0.13 -0.07 0.00 -1.57 0.00 0.00 52.86 51.12 1mfi s ASN 6 Cb -0.14 -1.83 -0.00 0.00 -0.02 0.00 0.00 41.25 39.26 1mfi s ASN 6 CO -0.09 0.12 0.14 0.28 -2.57 0.00 0.00 177.10 174.98 1mfi s THR 7 N 0.66 0.12 -2.38 1.60 -1.32 0.07 -0.51 115.64 113.87 1mfi s THR 7 Ca -0.00 -0.95 0.25 0.00 -1.21 0.00 0.00 61.69 59.78 1mfi s THR 7 Cb -0.14 -0.82 0.54 0.00 -1.51 0.00 0.00 72.50 70.57 1mfi s THR 7 CO 0.02 -0.53 1.70 -0.46 -2.21 0.00 0.00 174.62 173.15 1mfi n ASN 8 N 0.85 1.43 -4.77 8.08 6.94 -1.24 -1.36 115.26 125.20 1mfi n ASN 8 Ca -0.20 -1.54 -0.40 0.00 -0.02 0.00 0.00 54.58 52.42 1mfi n ASN 8 Cb 0.58 -0.04 -0.02 0.00 -2.36 0.00 0.00 39.78 37.94 1mfi n ASN 8 CO 0.00 0.00 0.00 -0.69 -1.03 0.00 0.00 177.26 175.54 1mfi s VAL 9 N -1.93 2.80 0.56 3.53 1.01 -1.26 -4.30 120.40 120.81 1mfi s VAL 9 Ca 0.36 0.79 -0.20 0.00 0.00 0.00 0.00 61.98 62.94 1mfi s VAL 9 Cb 0.20 -3.50 -0.05 0.00 0.00 0.00 0.00 36.38 33.03 1mfi s VAL 9 CO 0.31 0.18 1.20 -2.84 0.00 0.00 0.00 175.10 173.95 1mfi s PRO 10 N -1.84 3.16 0.27 2.72 0.02 -1.26 -0.60 135.00 137.46 1mfi s PRO 10 Ca 0.50 1.82 -0.01 0.00 0.02 0.00 0.00 61.00 63.33 1mfi s PRO 10 Cb -0.38 -2.03 0.53 0.00 0.02 0.00 0.00 34.50 32.63 1mfi s PRO 10 CO 0.51 -1.06 1.78 -0.09 -0.33 0.00 0.00 177.00 177.81 1mfi h ARG 11 N 1.15 0.70 0.00 5.54 2.43 -1.93 0.17 114.38 122.43 1mfi h ARG 11 Ca -0.50 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 58.63 1mfi h ARG 11 Cb 1.29 -0.16 0.00 0.00 -0.42 0.00 0.00 29.97 30.68 1mfi h ARG 11 CO 0.56 0.46 0.00 0.00 -1.51 0.00 0.00 179.97 179.48 1mfi n ALA 12 N -2.39 1.35 1.07 2.80 0.00 -1.26 -1.27 120.51 120.80 1mfi n ALA 12 Ca 0.17 -0.03 0.12 0.00 0.00 0.00 0.00 53.44 53.71 1mfi n ALA 12 Cb 0.40 -1.11 0.23 0.00 0.00 0.00 0.00 19.45 18.97 1mfi n ALA 12 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1mfi n SER 13 N -1.46 0.77 -4.61 0.00 7.64 0.60 -4.81 113.62 111.75 1mfi n SER 13 Ca 0.02 -0.57 -0.42 0.00 1.01 0.00 0.00 58.87 58.91 1mfi n SER 13 Cb 0.07 0.32 -0.04 0.00 -1.01 0.00 0.00 64.21 63.55 1mfi n SER 13 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 1mfi s VAL 14 N -2.84 4.63 0.60 0.44 1.01 -0.40 -4.79 120.40 119.05 1mfi s VAL 14 Ca 0.15 1.26 -0.20 0.00 0.00 0.00 0.00 61.98 63.19 1mfi s VAL 14 Cb 0.18 -4.29 -0.03 0.00 0.00 0.00 0.00 36.38 32.23 1mfi s VAL 14 CO 0.67 -0.45 1.29 -2.65 0.00 0.00 0.00 175.10 173.95 1mfi n PRO 15 N 6.63 1.35 -0.22 2.72 -0.02 -1.26 -4.93 135.00 139.26 1mfi n PRO 15 Ca 0.07 0.51 -0.05 0.00 -2.02 0.00 0.00 63.50 62.00 1mfi n PRO 15 Cb 0.48 -2.51 0.00 0.00 -0.02 0.00 0.00 33.50 31.45 1mfi n PRO 15 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 1mfi h GLU 16 N 0.93 -0.15 -0.91 -0.52 3.07 -1.97 -2.42 114.58 112.60 1mfi h GLU 16 Ca -0.51 0.01 -0.27 0.00 -0.50 0.00 0.00 59.36 58.10 1mfi h GLU 16 Cb 1.33 0.03 -0.16 0.00 -0.84 0.00 0.00 28.75 29.11 1mfi h GLU 16 CO 0.55 -0.10 0.34 0.41 -1.40 0.00 0.00 179.01 178.80 1mfi n GLY 17 N -1.43 3.46 0.20 -3.84 0.00 -1.26 -4.60 105.19 97.72 1mfi n GLY 17 Ca 0.04 -0.76 -0.08 0.00 0.00 0.00 0.00 46.02 45.23 1mfi n GLY 17 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1mfi h PHE 18 N 1.38 0.61 -0.26 1.61 3.57 -1.80 0.16 116.94 122.22 1mfi h PHE 18 Ca 0.33 0.00 -0.11 0.00 3.53 0.00 0.00 57.97 61.72 1mfi h PHE 18 Cb 2.14 -0.20 -0.01 0.00 2.79 0.00 0.00 35.95 40.67 1mfi h PHE 18 CO 1.06 0.42 -0.29 -0.07 -2.23 0.00 0.00 178.31 177.20 1mfi h LEU 19 N 0.63 0.54 -0.43 0.59 4.07 -1.84 0.22 115.31 119.09 1mfi h LEU 19 Ca 0.17 -0.20 -0.12 0.00 0.08 0.00 0.00 57.88 57.81 1mfi h LEU 19 Cb -0.02 -0.15 -0.01 0.00 1.08 0.00 0.00 40.66 41.56 1mfi h LEU 19 CO -0.03 0.81 -0.20 -1.28 -1.08 0.00 0.00 178.44 176.65 1mfi h SER 20 N 0.46 0.92 -0.51 -0.43 0.87 -1.83 -1.82 113.55 111.22 1mfi h SER 20 Ca 0.06 -0.40 -0.03 0.00 -1.23 0.00 0.00 61.79 60.19 1mfi h SER 20 Cb 0.74 -0.25 -0.02 0.00 -0.44 0.00 0.00 62.40 62.42 1mfi h SER 20 CO 0.06 1.12 0.19 -0.08 -0.53 0.00 0.00 176.83 177.59 1mfi h GLU 21 N 0.72 0.76 -0.88 2.24 4.81 -0.02 -1.89 114.58 120.32 1mfi h GLU 21 Ca 0.10 -0.14 0.01 0.00 -0.13 0.00 0.00 59.36 59.19 1mfi h GLU 21 Cb 0.77 -0.12 -0.04 0.00 0.63 0.00 0.00 28.75 29.98 1mfi h GLU 21 CO 0.06 0.68 0.58 -0.07 -0.73 0.00 0.00 179.01 179.54 1mfi h LEU 22 N 0.68 1.00 -0.23 1.64 3.38 -0.95 -0.32 115.31 120.51 1mfi h LEU 22 Ca 0.17 -0.02 0.03 0.00 0.09 0.00 0.00 57.88 58.14 1mfi h LEU 22 Cb 0.21 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.69 1mfi h LEU 22 CO -0.01 0.72 0.06 0.74 0.09 0.00 0.00 178.44 180.04 1mfi h THR 23 N 1.18 0.92 -0.48 0.22 2.02 -0.91 0.15 112.91 116.00 1mfi h THR 23 Ca 0.33 -0.05 -0.07 0.00 0.77 0.00 0.00 66.41 67.38 1mfi h THR 23 Cb -0.12 0.75 -0.02 0.00 -1.74 0.00 0.00 68.15 67.02 1mfi h THR 23 CO -0.08 0.03 0.03 1.56 0.37 0.00 0.00 175.52 177.44 1mfi h GLN 24 N 0.16 0.83 -0.49 6.66 4.20 -1.06 -0.91 115.11 124.50 1mfi h GLN 24 Ca 0.10 -0.25 -0.11 0.00 0.06 0.00 0.00 58.65 58.46 1mfi h GLN 24 Cb 0.09 -0.08 -0.02 0.00 0.30 0.00 0.00 27.48 27.76 1mfi h GLN 24 CO -0.12 0.86 -0.12 1.96 -0.67 0.00 0.00 178.83 180.74 1mfi h GLN 25 N 0.70 0.91 -0.33 1.46 1.08 -0.81 -0.57 115.11 117.54 1mfi h GLN 25 Ca 0.14 -0.32 -0.14 0.00 -1.45 0.00 0.00 58.65 56.87 1mfi h GLN 25 Cb 0.46 -0.06 -0.00 0.00 -0.05 0.00 0.00 27.48 27.82 1mfi h GLN 25 CO 0.02 0.97 -0.36 -0.07 -0.95 0.00 0.00 178.83 178.44 1mfi h LEU 26 N 0.81 0.88 -0.46 1.46 3.38 -0.60 -1.07 115.31 119.71 1mfi h LEU 26 Ca 0.13 -0.48 0.04 0.00 0.09 0.00 0.00 57.88 57.67 1mfi h LEU 26 Cb 0.65 -0.25 -0.04 0.00 0.09 0.00 0.00 40.66 41.10 1mfi h LEU 26 CO 0.04 1.18 0.21 0.00 0.09 0.00 0.00 178.44 179.97 1mfi h ALA 27 N 0.73 0.58 0.03 1.53 0.00 -0.45 -0.49 119.26 121.20 1mfi h ALA 27 Ca 0.05 0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.99 1mfi h ALA 27 Cb 0.95 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.70 1mfi h ALA 27 CO 0.09 -0.15 -0.02 0.37 0.00 0.00 0.00 179.25 179.54 1mfi h GLN 28 N 0.43 -0.04 -0.38 0.00 5.75 -1.00 0.12 115.11 120.00 1mfi h GLN 28 Ca 0.21 0.00 -0.04 0.00 -0.15 0.00 0.00 58.65 58.67 1mfi h GLN 28 Cb 0.14 0.01 -0.02 0.00 1.07 0.00 0.00 27.48 28.69 1mfi h GLN 28 CO -0.16 0.02 0.08 0.00 -2.65 0.00 0.00 178.83 176.11 1mfi h ALA 29 N 0.87 0.50 0.00 3.38 0.00 -0.93 -3.26 119.26 119.83 1mfi h ALA 29 Ca -0.00 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.71 1mfi h ALA 29 Cb 0.08 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.73 1mfi h ALA 29 CO 0.01 0.19 -0.94 0.25 0.00 0.00 0.00 179.25 178.76 1mfi n THR 30 N -4.56 0.54 -0.92 0.00 -2.24 -0.21 -4.94 114.28 101.94 1mfi n THR 30 Ca -0.01 -0.48 0.00 0.00 -2.27 0.00 0.00 64.05 61.30 1mfi n THR 30 Cb 0.22 -0.26 0.00 0.00 -2.10 0.00 0.00 70.33 68.19 1mfi n THR 30 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1mfi n GLY 31 N 1.22 0.77 3.81 3.38 0.00 0.42 -4.94 105.19 109.86 1mfi n GLY 31 Ca 0.01 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.66 1mfi n GLY 31 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1mfi s LYS 32 N -0.08 4.25 0.31 1.61 -0.14 -1.14 -5.01 119.74 119.54 1mfi s LYS 32 Ca 0.00 0.85 -0.29 0.00 -1.36 0.00 0.00 55.97 55.17 1mfi s LYS 32 Cb 0.00 -2.96 -0.10 0.00 -1.68 0.00 0.00 37.83 33.08 1mfi s LYS 32 CO 0.00 0.45 1.43 -2.14 -0.76 0.00 0.00 175.35 174.32 1mfi s PRO 33 N -1.80 4.24 0.53 -1.68 0.02 -1.26 -4.39 135.00 130.65 1mfi s PRO 33 Ca 0.40 2.37 0.29 0.00 0.02 0.00 0.00 61.00 64.08 1mfi s PRO 33 Cb -0.17 -3.06 1.44 0.00 0.02 0.00 0.00 34.50 32.73 1mfi s PRO 33 CO 0.21 -0.40 1.91 0.00 -0.33 0.00 0.00 177.00 178.40 1mfi h ALA 34 N 4.02 2.73 -0.41 -1.55 0.00 -1.93 -0.38 119.26 121.75 1mfi h ALA 34 Ca -0.48 -0.03 0.12 0.00 0.00 0.00 0.00 54.91 54.52 1mfi h ALA 34 Cb 1.23 0.05 -0.02 0.00 0.00 0.00 0.00 17.79 19.05 1mfi h ALA 34 CO 0.71 -0.96 0.31 0.37 0.00 0.00 0.00 179.25 179.68 1mfi h GLN 35 N 0.03 0.00 -0.48 0.00 4.15 -1.98 -1.07 115.11 115.76 1mfi h GLN 35 Ca 0.39 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.81 1mfi h GLN 35 Cb 1.51 0.00 0.00 0.00 0.21 0.00 0.00 27.48 29.20 1mfi h GLN 35 CO -0.02 0.00 0.00 0.66 -1.93 0.00 0.00 178.83 177.54 1mfi n TYR 36 N -4.30 0.62 -3.60 3.99 4.01 -0.15 -4.93 117.16 112.80 1mfi n TYR 36 Ca 0.07 -0.33 -0.37 0.00 -0.16 0.00 0.00 57.90 57.11 1mfi n TYR 36 Cb 0.50 -0.00 -0.10 0.00 -0.31 0.00 0.00 39.34 39.44 1mfi n TYR 36 CO 0.00 0.00 0.00 0.42 -0.46 0.00 0.00 176.86 176.82 1mfi s ILE 37 N -1.30 5.32 -0.09 -0.72 1.01 -0.41 -1.92 121.20 123.09 1mfi s ILE 37 Ca 0.40 0.24 0.00 0.00 0.00 0.00 0.00 60.65 61.30 1mfi s ILE 37 Cb 0.23 -3.54 -0.03 0.00 0.01 0.00 0.00 42.46 39.13 1mfi s ILE 37 CO 0.31 0.30 -0.08 0.00 0.00 0.00 0.00 174.94 175.47 1mfi s ALA 38 N 1.31 2.87 -0.05 9.38 0.00 -0.38 -5.01 121.76 129.89 1mfi s ALA 38 Ca 0.09 -0.89 0.04 0.00 0.00 0.00 0.00 51.96 51.20 1mfi s ALA 38 Cb -0.14 -1.25 0.00 0.00 0.00 0.00 0.00 23.12 21.72 1mfi s ALA 38 CO 0.07 0.44 -0.16 0.08 0.00 0.00 0.00 175.76 176.18 1mfi s VAL 39 N -0.34 1.37 -0.08 0.00 1.01 -1.26 -0.68 120.40 120.42 1mfi s VAL 39 Ca 0.04 -0.67 -0.01 0.00 0.00 0.00 0.00 61.98 61.35 1mfi s VAL 39 Cb -0.12 -1.19 0.03 0.00 0.00 0.00 0.00 36.38 35.09 1mfi s VAL 39 CO 0.02 0.40 -0.03 -2.28 0.00 0.00 0.00 175.10 173.21 1mfi s HIS 40 N 0.18 0.98 -0.12 5.22 2.46 -0.27 -4.97 115.29 118.77 1mfi s HIS 40 Ca -0.07 -0.38 0.03 0.00 0.47 0.00 0.00 55.06 55.11 1mfi s HIS 40 Cb -0.12 -0.95 -0.00 0.00 -0.13 0.00 0.00 32.58 31.38 1mfi s HIS 40 CO 0.03 -0.38 -0.21 0.08 -2.47 0.00 0.00 174.74 171.79 1mfi s VAL 41 N 1.75 2.34 -0.37 0.89 1.01 -1.26 -0.70 120.40 124.05 1mfi s VAL 41 Ca 0.03 -0.91 0.02 0.00 0.00 0.00 0.00 61.98 61.12 1mfi s VAL 41 Cb -0.13 -1.93 0.11 0.00 0.00 0.00 0.00 36.38 34.43 1mfi s VAL 41 CO -0.06 0.55 0.11 -0.69 0.00 0.00 0.00 175.10 175.02 1mfi s VAL 42 N 0.44 1.85 0.58 2.92 1.01 0.62 -4.97 120.40 122.84 1mfi s VAL 42 Ca -0.15 -2.26 -0.04 0.00 0.00 0.00 0.00 61.98 59.54 1mfi s VAL 42 Cb -0.17 -2.35 0.12 0.00 0.00 0.00 0.00 36.38 33.98 1mfi s VAL 42 CO 0.06 -0.68 0.79 -0.81 0.00 0.00 0.00 175.10 174.46 1mfi n PRO 43 N 4.16 -0.24 -2.68 2.72 -0.04 -1.26 -0.75 135.00 136.91 1mfi n PRO 43 Ca 0.03 -1.78 -0.19 0.00 -0.04 0.00 0.00 63.50 61.52 1mfi n PRO 43 Cb 0.40 -0.64 0.00 0.00 -0.04 0.00 0.00 33.50 33.22 1mfi n PRO 43 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1mfi n ASP 44 N -3.16 -5.09 -4.85 3.54 8.00 0.23 -4.82 116.55 110.40 1mfi n ASP 44 Ca 0.12 -0.07 -0.33 0.00 0.71 0.00 0.00 54.79 55.22 1mfi n ASP 44 Cb 0.42 -4.22 -0.06 0.00 -0.02 0.00 0.00 41.12 37.24 1mfi n ASP 44 CO 0.00 0.00 0.00 -1.10 -0.39 0.00 0.00 177.20 175.71 1mfi s GLN 45 N -5.32 3.98 -0.69 -1.24 -1.52 -0.47 -4.96 119.66 109.44 1mfi s GLN 45 Ca 0.12 0.56 -0.23 0.00 -1.95 0.00 0.00 55.36 53.86 1mfi s GLN 45 Cb -0.06 -2.64 0.07 0.00 -0.22 0.00 0.00 33.01 30.16 1mfi s GLN 45 CO 0.15 0.29 1.01 -1.17 -0.25 0.00 0.00 175.29 175.33 1mfi s LEU 46 N -2.61 4.31 0.03 2.90 2.96 -1.26 -4.08 118.68 120.92 1mfi s LEU 46 Ca 0.48 -1.03 -0.13 0.00 -0.22 0.00 0.00 54.13 53.23 1mfi s LEU 46 Cb -0.12 -2.43 0.02 0.00 0.50 0.00 0.00 46.19 44.15 1mfi s LEU 46 CO 0.19 -1.45 0.29 0.00 -1.32 0.00 0.00 176.35 174.06 1mfi s MET 47 N 4.13 0.75 0.10 1.98 0.23 -1.26 -5.08 119.30 120.16 1mfi s MET 47 Ca 0.24 -0.44 0.06 0.00 -1.03 0.00 0.00 55.69 54.52 1mfi s MET 47 Cb -0.15 0.33 -0.03 0.00 -1.53 0.00 0.00 34.83 33.44 1mfi s MET 47 CO 0.09 -0.23 -0.15 0.95 -2.03 0.00 0.00 175.02 173.64 1mfi s THR 48 N -2.22 1.34 -0.06 3.16 -4.23 -1.26 -4.67 115.64 107.70 1mfi s THR 48 Ca -0.07 -1.55 -0.00 0.00 -1.18 0.00 0.00 61.69 58.88 1mfi s THR 48 Cb -0.02 -1.39 0.03 0.00 1.34 0.00 0.00 72.50 72.46 1mfi s THR 48 CO -0.01 -0.28 -0.01 0.12 -0.54 0.00 0.00 174.62 173.89 1mfi s PHE 49 N -1.66 0.61 -1.65 3.99 2.19 -0.73 -4.73 117.98 115.99 1mfi s PHE 49 Ca 0.05 -0.14 0.00 0.00 0.33 0.00 0.00 56.93 57.17 1mfi s PHE 49 Cb -0.08 -0.69 0.00 0.00 -1.31 0.00 0.00 43.02 40.94 1mfi s PHE 49 CO 0.03 -0.26 0.00 0.43 1.83 0.00 0.00 175.22 177.26 1mfi n SER 50 N 4.70 -4.97 0.00 6.13 7.64 -1.26 -1.84 113.62 124.02 1mfi n SER 50 Ca -0.15 0.39 0.00 0.00 1.01 0.00 0.00 58.87 60.12 1mfi n SER 50 Cb 0.50 -3.84 0.00 0.00 -1.01 0.00 0.00 64.21 59.86 1mfi n SER 50 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1mfi n GLY 51 N -0.94 1.02 3.55 0.23 0.00 -1.26 -5.04 105.19 102.74 1mfi n GLY 51 Ca -0.16 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.60 1mfi n GLY 51 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1mfi s THR 52 N -3.19 3.03 -1.54 2.61 -4.23 -0.77 -5.02 115.64 106.53 1mfi s THR 52 Ca 0.00 -1.79 0.11 0.00 -1.18 0.00 0.00 61.69 58.83 1mfi s THR 52 Cb 0.00 -2.51 0.40 0.00 1.34 0.00 0.00 72.50 71.73 1mfi s THR 52 CO 0.00 -0.15 1.28 -0.46 -0.54 0.00 0.00 174.62 174.75 1mfi n ASN 53 N -0.05 2.73 -4.71 3.99 0.23 -1.26 -1.77 115.26 114.42 1mfi n ASN 53 Ca -0.10 -2.17 -0.32 0.00 -0.53 0.00 0.00 54.58 51.46 1mfi n ASN 53 Cb 0.56 -0.39 0.13 0.00 -2.08 0.00 0.00 39.78 38.00 1mfi n ASN 53 CO 0.00 0.00 0.00 -1.81 -0.93 0.00 0.00 177.26 174.52 1mfi s ASP 54 N -0.82 3.63 0.15 0.53 1.01 -1.26 -4.86 116.67 115.04 1mfi s ASP 54 Ca 0.29 2.13 -0.34 0.00 0.71 0.00 0.00 52.55 55.34 1mfi s ASP 54 Cb 0.18 -2.56 -0.15 0.00 1.01 0.00 0.00 42.92 41.39 1mfi s ASP 54 CO 0.16 -2.63 1.36 -2.65 0.21 0.00 0.00 175.17 171.61 1mfi n PRO 55 N -3.70 1.50 -4.05 8.23 -0.02 -1.26 -4.81 135.00 130.90 1mfi n PRO 55 Ca 0.11 0.54 -0.11 0.00 -2.02 0.00 0.00 63.50 62.02 1mfi n PRO 55 Cb 0.52 -2.18 -0.06 0.00 -0.02 0.00 0.00 33.50 31.77 1mfi n PRO 55 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1mfi s ALA 57 N -3.77 -0.83 -0.16 0.00 0.00 0.02 -3.58 121.76 113.43 1mfi s ALA 57 Ca 0.27 0.86 0.01 0.00 0.00 0.00 0.00 51.96 53.09 1mfi s ALA 57 Cb 0.01 -0.46 0.02 0.00 0.00 0.00 0.00 23.12 22.69 1mfi s ALA 57 CO 0.12 -0.18 -0.16 -0.51 0.00 0.00 0.00 175.76 175.03 1mfi s LEU 58 N -0.06 1.90 0.33 0.00 1.43 0.34 -1.87 118.68 120.74 1mfi s LEU 58 Ca -0.02 -0.57 0.08 0.00 -1.03 0.00 0.00 54.13 52.58 1mfi s LEU 58 Cb -0.03 -1.31 -0.06 0.00 0.03 0.00 0.00 46.19 44.82 1mfi s LEU 58 CO 0.01 -0.04 -0.06 0.00 0.23 0.00 0.00 176.35 176.50 1mfi s SER 60 N -3.55 -0.13 -0.12 0.00 0.01 -0.50 -0.15 113.70 109.26 1mfi s SER 60 Ca 0.32 0.27 0.01 0.00 1.31 0.00 0.00 55.95 57.86 1mfi s SER 60 Cb 0.04 0.25 0.02 0.00 0.21 0.00 0.00 66.02 66.54 1mfi s SER 60 CO 0.15 -0.07 -0.13 -0.22 0.41 0.00 0.00 173.24 173.38 1mfi s LEU 61 N 0.32 1.61 -0.06 2.44 2.96 -0.17 -0.86 118.68 124.92 1mfi s LEU 61 Ca -0.02 -0.42 0.04 0.00 -0.22 0.00 0.00 54.13 53.51 1mfi s LEU 61 Cb -0.03 -1.06 -0.02 0.00 0.50 0.00 0.00 46.19 45.58 1mfi s LEU 61 CO -0.01 -0.03 -0.18 -1.00 -1.32 0.00 0.00 176.35 173.81 1mfi s HIS 62 N 1.24 2.62 0.04 5.38 3.76 -0.26 -1.24 115.29 126.82 1mfi s HIS 62 Ca -0.02 -0.41 -0.16 0.00 -0.15 0.00 0.00 55.06 54.33 1mfi s HIS 62 Cb -0.14 -1.65 0.03 0.00 1.11 0.00 0.00 32.58 31.93 1mfi s HIS 62 CO -0.05 -0.00 0.36 0.45 -0.85 0.00 0.00 174.74 174.64 1mfi s SER 63 N -0.39 -0.20 -0.55 1.40 0.15 -0.64 -1.31 113.70 112.15 1mfi s SER 63 Ca 0.04 -0.07 -0.17 0.00 0.70 0.00 0.00 55.95 56.44 1mfi s SER 63 Cb -0.12 0.38 0.11 0.00 -1.71 0.00 0.00 66.02 64.68 1mfi s SER 63 CO 0.02 -0.62 0.59 -0.63 1.20 0.00 0.00 173.24 173.80 1mfi s ILE 64 N -2.38 5.02 0.00 6.45 1.01 -1.26 0.28 121.20 130.31 1mfi s ILE 64 Ca -0.06 -1.15 0.00 0.00 0.00 0.00 0.00 60.65 59.44 1mfi s ILE 64 Cb -0.01 -4.38 0.00 0.00 0.01 0.00 0.00 42.46 38.08 1mfi s ILE 64 CO -0.02 -0.94 0.00 0.61 0.00 0.00 0.00 174.94 174.59 1mfi n GLY 65 N 5.25 -0.78 2.53 6.18 0.00 -1.26 -4.94 105.19 112.17 1mfi n GLY 65 Ca -0.11 -1.71 -0.20 0.00 0.00 0.00 0.00 46.02 44.00 1mfi n GLY 65 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1mfi n LYS 66 N -0.71 -1.40 -5.03 1.61 4.76 -1.26 -4.93 118.16 111.19 1mfi n LYS 66 Ca 0.00 1.14 -0.32 0.00 -2.87 0.00 0.00 58.31 56.25 1mfi n LYS 66 Cb 0.00 -5.52 -0.16 0.00 -1.84 0.00 0.00 35.03 27.51 1mfi n LYS 66 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 1mfi s ILE 67 N -2.78 2.48 0.07 -0.18 -1.09 -1.26 -4.85 121.20 113.59 1mfi s ILE 67 Ca 0.00 -0.87 -0.28 0.00 -2.23 0.00 0.00 60.65 57.27 1mfi s ILE 67 Cb 0.00 -1.99 0.09 0.00 -1.58 0.00 0.00 42.46 38.98 1mfi s ILE 67 CO 0.00 0.54 1.13 -0.83 -1.23 0.00 0.00 174.94 174.55 1mfi s GLY 68 N 0.35 -0.31 0.17 6.18 0.00 -1.26 -5.00 107.32 107.44 1mfi s GLY 68 Ca -0.16 0.39 -0.21 0.00 0.00 0.00 0.00 44.72 44.75 1mfi s GLY 68 CO 0.08 0.15 1.61 -1.33 0.00 0.00 0.00 173.10 173.61 1mfi h GLY 69 N 2.00 -0.09 0.81 0.20 0.00 -1.99 0.15 103.07 104.15 1mfi h GLY 69 Ca -0.27 0.34 -0.12 0.00 0.00 0.00 0.00 47.33 47.28 1mfi h GLY 69 CO 0.27 -0.21 -0.41 0.00 0.00 0.00 0.00 176.54 176.19 1mfi h ALA 70 N 0.93 0.19 -1.00 3.60 0.00 -2.00 -2.99 119.26 117.99 1mfi h ALA 70 Ca 0.19 -0.47 0.03 0.00 0.00 0.00 0.00 54.91 54.66 1mfi h ALA 70 Cb 0.50 -0.02 -0.06 0.00 0.00 0.00 0.00 17.79 18.22 1mfi h ALA 70 CO -0.52 0.31 0.66 1.96 0.00 0.00 0.00 179.25 181.66 1mfi h GLN 71 N 0.04 1.25 -0.38 0.00 7.50 -1.90 -2.37 115.11 119.25 1mfi h GLN 71 Ca -0.02 -0.08 -0.08 0.00 0.50 0.00 0.00 58.65 58.97 1mfi h GLN 71 Cb 1.05 -0.28 -0.02 0.00 0.05 0.00 0.00 27.48 28.28 1mfi h GLN 71 CO 0.09 0.83 -0.10 -0.91 -1.50 0.00 0.00 178.83 177.24 1mfi h ASN 72 N 1.29 0.64 -0.52 1.46 2.35 -1.00 0.12 115.58 119.92 1mfi h ASN 72 Ca 0.39 -0.18 -0.11 0.00 -0.55 0.00 0.00 56.30 55.86 1mfi h ASN 72 Cb -0.04 -0.17 -0.02 0.00 0.05 0.00 0.00 38.32 38.14 1mfi h ASN 72 CO -0.11 0.78 -0.09 0.03 -1.65 0.00 0.00 177.43 176.38 1mfi h ARG 73 N 0.61 1.01 -0.06 0.81 3.08 -1.36 -0.83 114.38 117.63 1mfi h ARG 73 Ca 0.11 -0.36 -0.01 0.00 0.07 0.00 0.00 59.98 59.79 1mfi h ARG 73 Cb 0.53 -0.07 -0.00 0.00 0.08 0.00 0.00 29.97 30.50 1mfi h ARG 73 CO 0.03 1.04 -0.00 -0.97 -1.07 0.00 0.00 179.97 179.00 1mfi h ASN 74 N 0.90 0.11 -0.97 7.04 -1.24 -0.90 -2.57 115.58 117.96 1mfi h ASN 74 Ca 0.14 -0.32 0.07 0.00 0.71 0.00 0.00 56.30 56.91 1mfi h ASN 74 Cb 0.65 -0.03 -0.07 0.00 0.73 0.00 0.00 38.32 39.60 1mfi h ASN 74 CO 0.04 0.40 0.62 1.88 -1.29 0.00 0.00 177.43 179.09 1mfi h TYR 75 N -0.18 1.14 -0.70 0.67 0.05 -0.70 -1.65 116.97 115.60 1mfi h TYR 75 Ca 0.02 0.03 -0.05 0.00 0.05 0.00 0.00 58.73 58.78 1mfi h TYR 75 Cb 0.34 -0.37 -0.03 0.00 1.01 0.00 0.00 36.73 37.68 1mfi h TYR 75 CO 0.03 0.56 0.23 0.77 -1.05 0.00 0.00 178.16 178.71 1mfi h SER 76 N 1.10 1.00 0.15 3.88 0.02 -1.03 0.24 113.55 118.91 1mfi h SER 76 Ca 0.43 -0.20 -0.01 0.00 -0.84 0.00 0.00 61.79 61.18 1mfi h SER 76 Cb 0.23 -0.26 0.00 0.00 0.14 0.00 0.00 62.40 62.51 1mfi h SER 76 CO -0.19 0.93 -0.07 0.50 -1.14 0.00 0.00 176.83 176.86 1mfi h LYS 77 N 1.02 -0.20 0.13 3.45 3.64 -0.99 0.15 116.57 123.77 1mfi h LYS 77 Ca 0.23 0.01 0.01 0.00 -1.27 0.00 0.00 60.65 59.63 1mfi h LYS 77 Cb 0.28 0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 32.12 1mfi h LYS 77 CO -0.01 0.02 -0.17 1.25 -2.27 0.00 0.00 179.45 178.27 1mfi h LEU 78 N -0.38 -0.45 -0.70 5.20 5.85 -1.14 -1.11 115.31 122.59 1mfi h LEU 78 Ca -0.02 0.05 -0.06 0.00 0.84 0.00 0.00 57.88 58.69 1mfi h LEU 78 Cb 0.30 0.16 -0.03 0.00 0.37 0.00 0.00 40.66 41.47 1mfi h LEU 78 CO 0.03 -0.25 0.20 -0.07 -0.34 0.00 0.00 178.44 178.02 1mfi h LEU 79 N -0.34 1.03 -1.35 2.25 4.07 -0.48 -1.23 115.31 119.26 1mfi h LEU 79 Ca 0.01 -0.22 -0.06 0.00 0.08 0.00 0.00 57.88 57.69 1mfi h LEU 79 Cb 0.34 -0.27 -0.01 0.00 1.08 0.00 0.00 40.66 41.80 1mfi h LEU 79 CO -0.06 0.98 -0.30 0.00 -1.08 0.00 0.00 178.44 177.97 1mfi h GLY 81 N 1.31 0.24 0.99 0.00 0.00 -0.22 -1.55 103.07 103.85 1mfi h GLY 81 Ca -0.00 -0.19 -0.03 0.00 0.00 0.00 0.00 47.33 47.11 1mfi h GLY 81 CO 0.04 0.17 0.26 1.41 0.00 0.00 0.00 176.54 178.42 1mfi h LEU 82 N -0.07 0.80 -1.06 3.11 4.07 -1.09 -1.52 115.31 119.55 1mfi h LEU 82 Ca 0.03 -0.16 -0.08 0.00 0.08 0.00 0.00 57.88 57.76 1mfi h LEU 82 Cb 0.40 -0.21 -0.01 0.00 1.08 0.00 0.00 40.66 41.92 1mfi h LEU 82 CO 0.01 0.74 -0.21 -0.07 -1.08 0.00 0.00 178.44 177.83 1mfi h LEU 83 N 0.82 0.41 -0.03 1.67 3.38 -1.42 0.16 115.31 120.30 1mfi h LEU 83 Ca 0.20 -0.12 -0.02 0.00 0.09 0.00 0.00 57.88 58.02 1mfi h LEU 83 Cb 0.17 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 40.81 1mfi h LEU 83 CO -0.02 0.64 -0.07 -1.28 0.09 0.00 0.00 178.44 177.80 1mfi h SER 84 N 0.38 0.11 -0.23 -0.43 0.87 -1.13 -2.09 113.55 111.03 1mfi h SER 84 Ca 0.06 -0.58 -0.05 0.00 -1.23 0.00 0.00 61.79 59.99 1mfi h SER 84 Cb 0.58 -0.03 -0.01 0.00 -0.44 0.00 0.00 62.40 62.50 1mfi h SER 84 CO 0.04 0.67 -0.04 0.44 -0.53 0.00 0.00 176.83 177.41 1mfi h ASP 85 N -0.45 0.43 0.18 6.23 3.32 -1.18 -0.56 116.42 124.39 1mfi h ASP 85 Ca 0.00 -0.35 -0.33 0.00 0.02 0.00 0.00 57.03 56.36 1mfi h ASP 85 Cb 0.66 -0.12 0.01 0.00 0.22 0.00 0.00 39.33 40.10 1mfi h ASP 85 CO 0.01 0.68 -1.65 0.03 -1.72 0.00 0.00 179.24 176.59 1mfi h ARG 86 N 0.17 0.38 -0.02 3.56 2.47 -0.82 -3.39 114.38 116.73 1mfi h ARG 86 Ca 0.06 -0.65 0.00 0.00 -1.26 0.00 0.00 59.98 58.13 1mfi h ARG 86 Cb 0.49 0.24 0.00 0.00 -1.65 0.00 0.00 29.97 29.05 1mfi h ARG 86 CO 0.02 1.31 -0.02 1.28 0.56 0.00 0.00 179.97 183.12 1mfi n LEU 87 N -3.68 2.03 -3.52 3.04 4.77 -0.83 -4.73 117.00 114.08 1mfi n LEU 87 Ca -0.24 -0.99 -0.24 0.00 -0.03 0.00 0.00 56.01 54.51 1mfi n LEU 87 Cb 1.04 0.00 0.07 0.00 -2.33 0.00 0.00 43.42 42.20 1mfi n LEU 87 CO 0.50 0.38 0.19 1.41 -1.33 0.00 0.00 177.39 178.53 1mfi n HIS 88 N 0.67 -2.66 -3.68 -1.77 8.25 -0.22 -4.96 115.22 110.85 1mfi n HIS 88 Ca 0.07 0.91 -0.36 0.00 -0.26 0.00 0.00 57.72 58.09 1mfi n HIS 88 Cb 0.32 -4.82 -0.09 0.00 1.12 0.00 0.00 29.99 26.52 1mfi n HIS 88 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 1mfi s ILE 89 N -3.29 5.38 0.24 1.59 1.01 -0.94 -4.95 121.20 120.24 1mfi s ILE 89 Ca 0.54 0.22 -0.30 0.00 0.00 0.00 0.00 60.65 61.11 1mfi s ILE 89 Cb -0.24 -3.50 -0.11 0.00 0.01 0.00 0.00 42.46 38.62 1mfi s ILE 89 CO 0.67 0.39 1.53 -0.55 0.00 0.00 0.00 174.94 176.99 1mfi s SER 90 N 0.66 6.54 0.58 3.58 0.15 -1.26 -3.49 113.70 120.45 1mfi s SER 90 Ca 0.09 2.75 0.28 0.00 0.70 0.00 0.00 55.95 59.77 1mfi s SER 90 Cb -0.12 -2.62 1.62 0.00 -1.71 0.00 0.00 66.02 63.19 1mfi s SER 90 CO 0.01 -0.81 2.11 -0.65 1.20 0.00 0.00 173.24 175.10 1mfi h PRO 91 N 5.47 0.00 -0.04 5.44 0.11 -1.96 0.73 132.00 141.76 1mfi h PRO 91 Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 1mfi h PRO 91 Cb 1.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.32 1mfi h PRO 91 CO 0.82 0.00 0.00 -0.40 -0.21 0.00 0.00 178.00 178.21 1mfi n ASP 92 N -3.90 0.41 -0.58 -2.05 5.75 -1.26 -3.21 116.55 111.70 1mfi n ASP 92 Ca 0.02 -1.46 0.05 0.00 -0.01 0.00 0.00 54.79 53.39 1mfi n ASP 92 Cb 0.31 -0.02 0.20 0.00 -1.03 0.00 0.00 41.12 40.57 1mfi n ASP 92 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 1mfi n ARG 93 N -0.53 1.60 -4.49 0.11 1.74 0.25 -4.99 116.66 110.35 1mfi n ARG 93 Ca 0.15 -3.15 -0.24 0.00 -0.77 0.00 0.00 57.85 53.84 1mfi n ARG 93 Cb 0.13 -1.63 -0.17 0.00 -1.02 0.00 0.00 32.46 29.78 1mfi n ARG 93 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1mfi s VAL 94 N -3.17 1.07 -0.05 1.55 1.01 -1.20 -0.80 120.40 118.82 1mfi s VAL 94 Ca 0.38 -0.43 0.05 0.00 0.00 0.00 0.00 61.98 61.98 1mfi s VAL 94 Cb 0.36 -0.99 -0.02 0.00 0.00 0.00 0.00 36.38 35.72 1mfi s VAL 94 CO -0.04 0.34 -0.18 -0.31 0.00 0.00 0.00 175.10 174.91 1mfi s TYR 95 N 0.77 2.59 -0.15 5.22 2.02 -0.78 -4.99 117.35 122.02 1mfi s TYR 95 Ca -0.13 -0.31 -0.00 0.00 -0.37 0.00 0.00 57.07 56.27 1mfi s TYR 95 Cb -0.15 -1.60 0.03 0.00 -0.40 0.00 0.00 41.96 39.84 1mfi s TYR 95 CO 0.02 0.07 -0.08 0.42 -1.57 0.00 0.00 175.55 174.42 1mfi s ILE 96 N -0.59 1.23 -0.08 2.71 1.01 -1.26 0.24 121.20 124.46 1mfi s ILE 96 Ca 0.09 -0.58 -0.16 0.00 0.00 0.00 0.00 60.65 59.99 1mfi s ILE 96 Cb -0.11 -1.30 -0.05 0.00 0.01 0.00 0.00 42.46 41.01 1mfi s ILE 96 CO 0.01 0.25 0.43 0.20 0.00 0.00 0.00 174.94 175.83 1mfi s ASN 97 N 1.60 6.70 -0.11 3.58 0.01 0.79 -4.94 114.94 122.57 1mfi s ASN 97 Ca 0.02 0.83 -0.02 0.00 -0.71 0.00 0.00 52.86 52.98 1mfi s ASN 97 Cb -0.14 -2.26 -0.03 0.00 0.41 0.00 0.00 41.25 39.23 1mfi s ASN 97 CO -0.08 0.13 -0.02 -0.31 -1.51 0.00 0.00 177.10 175.30 1mfi s TYR 98 N 0.00 3.08 -0.08 2.20 2.02 -1.26 -1.00 117.35 122.32 1mfi s TYR 98 Ca 0.24 0.02 0.00 0.00 -0.37 0.00 0.00 57.07 56.96 1mfi s TYR 98 Cb -0.15 -1.83 0.02 0.00 -0.40 0.00 0.00 41.96 39.59 1mfi s TYR 98 CO 0.11 0.29 -0.05 0.71 -1.57 0.00 0.00 175.55 175.03 1mfi s TYR 99 N -0.46 1.04 -0.36 2.71 2.02 -0.38 -4.97 117.35 116.94 1mfi s TYR 99 Ca 0.08 -0.40 -0.18 0.00 -0.37 0.00 0.00 57.07 56.20 1mfi s TYR 99 Cb -0.12 -0.93 0.00 0.00 -0.40 0.00 0.00 41.96 40.51 1mfi s TYR 99 CO 0.02 -0.34 0.50 0.34 -1.57 0.00 0.00 175.55 174.51 1mfi s ASP 100 N 1.42 6.29 -0.08 2.29 -1.08 -1.26 -1.63 116.67 122.63 1mfi s ASP 100 Ca -0.02 -0.14 -0.10 0.00 -0.52 0.00 0.00 52.55 51.76 1mfi s ASP 100 Cb -0.13 -2.26 -0.05 0.00 -1.46 0.00 0.00 42.92 39.02 1mfi s ASP 100 CO -0.03 -0.50 0.25 -0.04 0.52 0.00 0.00 175.17 175.36 1mfi s MET 101 N 2.37 3.66 0.17 4.34 -1.94 0.14 -4.93 119.30 123.11 1mfi s MET 101 Ca 0.18 0.09 -0.30 0.00 -1.71 0.00 0.00 55.69 53.94 1mfi s MET 101 Cb -0.16 -3.21 -0.08 0.00 2.01 0.00 0.00 34.83 33.39 1mfi s MET 101 CO 0.14 0.72 1.13 1.21 -0.01 0.00 0.00 175.02 178.21 1mfi s ASN 102 N -0.98 7.21 0.43 3.03 3.84 -1.26 -4.28 114.94 122.93 1mfi s ASN 102 Ca 0.18 2.12 0.18 0.00 0.21 0.00 0.00 52.86 55.56 1mfi s ASN 102 Cb -0.14 -2.60 1.11 0.00 -0.55 0.00 0.00 41.25 39.07 1mfi s ASN 102 CO 0.08 -0.27 1.88 0.00 -2.79 0.00 0.00 177.10 175.99 1mfi h ALA 103 N 5.21 2.23 0.00 1.71 0.00 -1.94 0.17 119.26 126.65 1mfi h ALA 103 Ca -0.44 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.48 1mfi h ALA 103 Cb 1.21 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.97 1mfi h ALA 103 CO 0.73 -0.49 0.00 0.00 0.00 0.00 0.00 179.25 179.50 1mfi h ALA 104 N 1.62 1.00 -0.55 0.00 0.00 -1.91 -3.02 119.26 116.40 1mfi h ALA 104 Ca 0.43 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.34 1mfi h ALA 104 Cb 1.10 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.89 1mfi h ALA 104 CO -0.14 0.00 0.00 0.09 0.00 0.00 0.00 179.25 179.20 1mfi n ASN 105 N -3.07 5.20 -3.86 0.00 3.02 0.61 -4.83 115.26 112.34 1mfi n ASN 105 Ca 0.00 -2.80 -0.29 0.00 -0.03 0.00 0.00 54.58 51.46 1mfi n ASN 105 Cb 0.28 -0.63 -0.16 0.00 -0.61 0.00 0.00 39.78 38.66 1mfi n ASN 105 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1mfi s VAL 106 N -2.51 1.12 0.12 2.41 1.01 -1.16 -4.91 120.40 116.49 1mfi s VAL 106 Ca 0.52 -0.89 -0.17 0.00 0.00 0.00 0.00 61.98 61.43 1mfi s VAL 106 Cb 0.38 -1.45 -0.07 0.00 0.00 0.00 0.00 36.38 35.24 1mfi s VAL 106 CO 0.17 -0.09 0.57 -0.83 0.00 0.00 0.00 175.10 174.92 1mfi s GLY 107 N 1.59 2.57 -0.22 4.51 0.00 -1.26 -2.54 107.32 111.97 1mfi s GLY 107 Ca -0.03 -0.03 -0.27 0.00 0.00 0.00 0.00 44.72 44.39 1mfi s GLY 107 CO -0.07 0.33 0.78 0.86 0.00 0.00 0.00 173.10 174.99 1mfi s TRP 108 N -1.30 -0.69 -1.51 1.90 -0.00 0.16 -4.96 118.94 112.54 1mfi s TRP 108 Ca 0.34 1.56 -0.12 0.00 -0.00 0.00 0.00 56.10 57.88 1mfi s TRP 108 Cb -0.17 0.33 0.08 0.00 -0.00 0.00 0.00 33.47 33.70 1mfi s TRP 108 CO 0.19 -0.40 0.92 -1.71 -0.00 0.00 0.00 176.95 175.95 1mfi n ASN 109 N 2.11 -4.10 -0.07 5.86 5.15 -1.26 -1.40 115.26 121.56 1mfi n ASN 109 Ca -0.15 -0.80 -0.01 0.00 -0.60 0.00 0.00 54.58 53.02 1mfi n ASN 109 Cb 0.56 -3.82 -0.00 0.00 -0.53 0.00 0.00 39.78 35.98 1mfi n ASN 109 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1mfi n GLY 110 N -1.67 0.39 0.00 8.20 0.00 -1.26 -4.95 105.19 105.90 1mfi n GLY 110 Ca -0.01 -0.08 0.00 0.00 0.00 0.00 0.00 46.02 45.93 1mfi n GLY 110 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1mfi n SER 111 N -0.26 0.00 -4.43 1.61 2.88 -0.49 -5.18 113.62 107.75 1mfi n SER 111 Ca -0.01 -0.03 -0.21 0.00 -1.33 0.00 0.00 58.87 57.29 1mfi n SER 111 Cb 0.20 0.00 -0.10 0.00 -0.75 0.00 0.00 64.21 63.56 1mfi n SER 111 CO 0.00 0.00 0.00 0.42 -1.23 0.00 0.00 175.04 174.23 1mfi s THR 112 N -1.99 1.38 -1.30 2.46 -4.23 -1.26 -0.66 115.64 110.03 1mfi s THR 112 Ca 0.00 -2.06 0.19 0.00 -1.18 0.00 0.00 61.69 58.64 1mfi s THR 112 Cb 0.00 -2.58 0.28 0.00 1.34 0.00 0.00 72.50 71.54 1mfi s THR 112 CO 0.00 -0.18 1.59 0.49 -0.54 0.00 0.00 174.62 175.98 1mfi n PHE 113 N -0.61 0.00 1.47 3.99 3.72 -1.05 -4.88 117.46 120.09 1mfi n PHE 113 Ca -0.04 0.00 0.14 0.00 -0.05 0.00 0.00 57.45 57.50 1mfi n PHE 113 Cb 0.65 -0.35 0.50 0.00 -0.94 0.00 0.00 39.48 39.33 1mfi n PHE 113 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71