#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 0.93 -0.08 0.54 0.23 0.15 -1.74 119.30 119.32 1mfi s MET 2 Ca 0.00 -0.32 0.03 0.00 -1.03 0.00 0.00 55.69 54.37 1mfi s MET 2 Cb 0.00 -0.88 0.01 0.00 -1.53 0.00 0.00 34.83 32.43 1mfi s MET 2 CO 0.00 0.14 -0.18 0.12 -2.03 0.00 0.00 175.02 173.07 1mfi s PHE 3 N 0.07 2.02 -0.06 3.16 5.36 -0.43 -0.97 117.98 127.14 1mfi s PHE 3 Ca -0.01 -0.79 0.06 0.00 -0.96 0.00 0.00 56.93 55.23 1mfi s PHE 3 Cb -0.07 -1.39 -0.01 0.00 -0.34 0.00 0.00 43.02 41.21 1mfi s PHE 3 CO 0.00 -0.34 -0.24 0.42 -1.46 0.00 0.00 175.22 173.60 1mfi s ILE 4 N 0.48 2.00 -0.12 3.12 1.01 -0.06 -1.14 121.20 126.49 1mfi s ILE 4 Ca -0.16 -1.03 0.01 0.00 0.00 0.00 0.00 60.65 59.47 1mfi s ILE 4 Cb -0.17 -1.70 0.02 0.00 0.01 0.00 0.00 42.46 40.62 1mfi s ILE 4 CO 0.06 0.56 -0.15 -0.69 0.00 0.00 0.00 174.94 174.72 1mfi s VAL 5 N -0.10 1.49 -0.12 2.92 1.01 0.06 -1.11 120.40 124.55 1mfi s VAL 5 Ca -0.05 -0.62 0.00 0.00 0.00 0.00 0.00 61.98 61.31 1mfi s VAL 5 Cb -0.14 -1.38 -0.02 0.00 0.00 0.00 0.00 36.38 34.85 1mfi s VAL 5 CO 0.04 0.44 -0.13 0.20 0.00 0.00 0.00 175.10 175.65 1mfi s ASN 6 N 1.13 4.06 0.04 3.32 -0.87 0.93 -0.38 114.94 123.16 1mfi s ASN 6 Ca -0.04 -0.30 -0.13 0.00 -1.57 0.00 0.00 52.86 50.83 1mfi s ASN 6 Cb -0.14 -1.51 0.02 0.00 -0.02 0.00 0.00 41.25 39.59 1mfi s ASN 6 CO -0.04 0.19 0.27 0.28 -2.57 0.00 0.00 177.10 175.24 1mfi s THR 7 N 0.18 0.09 -2.34 1.60 -1.32 -0.05 -0.26 115.64 113.54 1mfi s THR 7 Ca -0.07 -0.73 0.23 0.00 -1.21 0.00 0.00 61.69 59.91 1mfi s THR 7 Cb -0.15 -0.91 0.48 0.00 -1.51 0.00 0.00 72.50 70.41 1mfi s THR 7 CO 0.05 -0.40 1.60 -0.46 -2.21 0.00 0.00 174.62 173.19 1mfi n ASN 8 N 0.66 1.66 -4.76 8.08 0.23 -1.21 -1.02 115.26 118.88 1mfi n ASN 8 Ca -0.19 -1.66 -0.40 0.00 -0.53 0.00 0.00 54.58 51.80 1mfi n ASN 8 Cb 0.59 -0.08 -0.04 0.00 -2.08 0.00 0.00 39.78 38.18 1mfi n ASN 8 CO 0.00 0.00 0.00 -0.69 -0.93 0.00 0.00 177.26 175.64 1mfi s VAL 9 N -1.84 3.30 0.72 3.53 1.01 -1.26 -4.37 120.40 121.49 1mfi s VAL 9 Ca 0.34 1.26 -0.15 0.00 0.00 0.00 0.00 61.98 63.44 1mfi s VAL 9 Cb 0.18 -3.78 0.03 0.00 0.00 0.00 0.00 36.38 32.81 1mfi s VAL 9 CO 0.28 0.26 1.17 -2.84 0.00 0.00 0.00 175.10 173.98 1mfi s PRO 10 N -1.69 2.28 0.33 2.72 0.02 -1.26 -0.70 135.00 136.69 1mfi s PRO 10 Ca 0.48 1.62 0.10 0.00 0.02 0.00 0.00 61.00 63.21 1mfi s PRO 10 Cb -0.33 -1.87 0.87 0.00 0.02 0.00 0.00 34.50 33.20 1mfi s PRO 10 CO 0.42 -1.69 1.76 -0.09 -0.33 0.00 0.00 177.00 177.07 1mfi h ARG 11 N -0.31 0.60 0.00 5.54 2.43 -1.94 -0.63 114.38 120.08 1mfi h ARG 11 Ca -0.47 -0.04 -0.00 0.00 -0.81 0.00 0.00 59.98 58.66 1mfi h ARG 11 Cb 1.28 -0.13 -0.00 0.00 -0.42 0.00 0.00 29.97 30.69 1mfi h ARG 11 CO 0.51 0.40 -0.02 0.00 -1.51 0.00 0.00 179.97 179.34 1mfi h ALA 12 N 1.68 1.07 -0.08 2.80 0.00 -2.02 -2.15 119.26 120.57 1mfi h ALA 12 Ca 0.61 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.50 1mfi h ALA 12 Cb 1.14 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.93 1mfi h ALA 12 CO -0.40 0.02 0.00 0.43 0.00 0.00 0.00 179.25 179.30 1mfi n SER 13 N -3.21 1.43 -4.52 0.00 7.64 -0.24 -4.72 113.62 110.00 1mfi n SER 13 Ca -0.02 -1.55 -0.43 0.00 1.01 0.00 0.00 58.87 57.88 1mfi n SER 13 Cb 0.16 -0.04 -0.06 0.00 -1.01 0.00 0.00 64.21 63.25 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 -1.91 4.79 0.54 0.44 1.01 -0.81 -4.77 120.40 119.69 1mfi s VAL 14 Ca 0.36 0.14 -0.19 0.00 0.00 0.00 0.00 61.98 62.28 1mfi s VAL 14 Cb 0.19 -4.24 -0.08 0.00 0.00 0.00 0.00 36.38 32.26 1mfi s VAL 14 CO 0.30 -0.64 0.73 -2.65 0.00 0.00 0.00 175.10 172.84 1mfi n PRO 15 N 6.35 0.75 -0.24 2.72 -0.02 -1.26 -4.91 135.00 138.40 1mfi n PRO 15 Ca -0.01 0.29 0.04 0.00 -2.02 0.00 0.00 63.50 61.80 1mfi n PRO 15 Cb 0.48 -1.87 0.16 0.00 -0.02 0.00 0.00 33.50 32.25 1mfi n PRO 15 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 1mfi h GLU 16 N 0.55 0.24 -0.48 -0.52 4.81 -1.95 -2.77 114.58 114.46 1mfi h GLU 16 Ca -0.46 -0.01 -0.13 0.00 -0.13 0.00 0.00 59.36 58.63 1mfi h GLU 16 Cb 1.38 -0.05 -0.08 0.00 0.63 0.00 0.00 28.75 30.63 1mfi h GLU 16 CO 0.50 0.16 0.10 0.41 -0.73 0.00 0.00 179.01 179.44 1mfi n GLY 17 N -1.35 4.05 0.34 1.92 0.00 -1.26 -4.69 105.19 104.20 1mfi n GLY 17 Ca 0.13 -1.06 0.02 0.00 0.00 0.00 0.00 46.02 45.11 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 2.02 1.05 -0.18 1.61 3.57 -1.85 -0.62 116.94 122.55 1mfi h PHE 18 Ca 0.15 0.03 -0.09 0.00 3.53 0.00 0.00 57.97 61.59 1mfi h PHE 18 Cb 1.87 -0.34 -0.01 0.00 2.79 0.00 0.00 35.95 40.25 1mfi h PHE 18 CO 0.94 0.51 -0.29 -0.07 -2.23 0.00 0.00 178.31 177.17 1mfi h LEU 19 N 1.01 0.34 -0.37 0.59 4.07 -1.84 0.24 115.31 119.36 1mfi h LEU 19 Ca 0.41 -0.12 -0.18 0.00 0.08 0.00 0.00 57.88 58.07 1mfi h LEU 19 Cb 0.22 -0.09 -0.00 0.00 1.08 0.00 0.00 40.66 41.87 1mfi h LEU 19 CO -0.19 0.63 -0.59 -1.28 -1.08 0.00 0.00 178.44 175.93 1mfi h SER 20 N 0.30 0.81 -0.68 -0.43 0.87 -1.75 -0.55 113.55 112.12 1mfi h SER 20 Ca 0.04 -0.45 -0.08 0.00 -1.23 0.00 0.00 61.79 60.07 1mfi h SER 20 Cb 0.67 -0.23 -0.03 0.00 -0.44 0.00 0.00 62.40 62.37 1mfi h SER 20 CO 0.05 1.21 0.11 -0.08 -0.53 0.00 0.00 176.83 177.60 1mfi h GLU 21 N 0.54 1.12 -0.50 2.24 4.81 -0.62 -1.16 114.58 121.02 1mfi h GLU 21 Ca 0.00 -0.30 -0.03 0.00 -0.13 0.00 0.00 59.36 58.90 1mfi h GLU 21 Cb 1.17 -0.13 -0.02 0.00 0.63 0.00 0.00 28.75 30.40 1mfi h GLU 21 CO 0.12 1.02 0.20 -0.07 -0.73 0.00 0.00 179.01 179.55 1mfi h LEU 22 N 1.05 0.69 -0.37 1.64 3.38 -0.78 -0.15 115.31 120.77 1mfi h LEU 22 Ca 0.21 -0.17 0.03 0.00 0.09 0.00 0.00 57.88 58.04 1mfi h LEU 22 Cb 0.44 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 40.98 1mfi h LEU 22 CO 0.01 0.67 0.17 0.74 0.09 0.00 0.00 178.44 180.12 1mfi h THR 23 N 0.66 0.95 -0.55 0.22 2.02 -0.74 -0.20 112.91 115.27 1mfi h THR 23 Ca 0.17 -0.12 -0.05 0.00 0.77 0.00 0.00 66.41 67.18 1mfi h THR 23 Cb 0.20 0.58 -0.02 0.00 -1.74 0.00 0.00 68.15 67.16 1mfi h THR 23 CO -0.01 0.06 0.15 1.56 0.37 0.00 0.00 175.52 177.65 1mfi h GLN 24 N 0.34 0.88 -0.53 6.66 1.08 -0.81 -0.72 115.11 122.01 1mfi h GLN 24 Ca 0.16 -0.20 -0.09 0.00 -1.45 0.00 0.00 58.65 57.07 1mfi h GLN 24 Cb 0.09 -0.12 -0.02 0.00 -0.05 0.00 0.00 27.48 27.38 1mfi h GLN 24 CO -0.13 0.81 -0.02 1.96 -0.95 0.00 0.00 178.83 180.51 1mfi h GLN 25 N 0.78 0.90 0.00 1.46 1.08 -0.70 -2.30 115.11 116.32 1mfi h GLN 25 Ca 0.17 -0.27 -0.15 0.00 -1.45 0.00 0.00 58.65 56.95 1mfi h GLN 25 Cb 0.32 -0.09 -0.02 0.00 -0.05 0.00 0.00 27.48 27.64 1mfi h GLN 25 CO -0.00 0.91 -0.73 -0.07 -0.95 0.00 0.00 178.83 177.99 1mfi h LEU 26 N 0.83 0.00 -0.61 1.46 3.38 -0.79 -1.44 115.31 118.14 1mfi h LEU 26 Ca 0.15 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 58.04 1mfi h LEU 26 Cb 0.52 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.24 1mfi h LEU 26 CO 0.03 0.73 0.06 0.00 0.09 0.00 0.00 178.44 179.34 1mfi h ALA 27 N 1.27 0.81 -0.32 1.53 0.00 -0.85 -0.25 119.26 121.46 1mfi h ALA 27 Ca -0.01 -0.28 -0.09 0.00 0.00 0.00 0.00 54.91 54.54 1mfi h ALA 27 Cb 1.32 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.88 1mfi h ALA 27 CO 0.09 0.60 -0.14 0.37 0.00 0.00 0.00 179.25 180.17 1mfi h GLN 28 N 0.93 0.66 -0.17 0.00 5.75 -1.28 0.18 115.11 121.18 1mfi h GLN 28 Ca 0.18 -0.28 -0.05 0.00 -0.15 0.00 0.00 58.65 58.34 1mfi h GLN 28 Cb 0.48 -0.02 -0.00 0.00 1.07 0.00 0.00 27.48 29.00 1mfi h GLN 28 CO 0.02 0.87 -0.09 0.00 -2.65 0.00 0.00 178.83 176.98 1mfi h ALA 29 N 0.77 0.24 0.00 3.38 0.00 -1.13 -3.26 119.26 119.27 1mfi h ALA 29 Ca 0.07 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.70 1mfi h ALA 29 Cb 0.67 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.40 1mfi h ALA 29 CO 0.04 0.07 -0.49 1.79 0.00 0.00 0.00 179.25 180.66 1mfi h THR 30 N 0.04 0.00 0.00 0.00 1.35 -1.12 -3.48 112.91 109.71 1mfi h THR 30 Ca 0.04 -1.00 0.00 0.00 -0.55 0.00 0.00 66.41 64.90 1mfi h THR 30 Cb 0.58 1.75 0.00 0.00 -1.73 0.00 0.00 68.15 68.75 1mfi h THR 30 CO 0.03 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.91 1mfi n GLY 31 N 1.14 0.82 3.73 5.82 0.00 0.04 -4.95 105.19 111.79 1mfi n GLY 31 Ca 0.02 0.00 -0.38 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 -0.16 4.33 0.46 1.61 -0.14 -1.18 -5.01 119.74 119.65 1mfi s LYS 32 Ca 0.00 0.50 -0.24 0.00 -1.36 0.00 0.00 55.97 54.88 1mfi s LYS 32 Cb 0.00 -3.42 -0.09 0.00 -1.68 0.00 0.00 37.83 32.64 1mfi s LYS 32 CO 0.00 0.19 1.19 -2.30 -0.76 0.00 0.00 175.35 173.66 1mfi n PRO 33 N 3.54 1.64 -0.08 -1.68 -0.02 -1.26 -4.30 135.00 132.85 1mfi n PRO 33 Ca -0.07 0.59 0.25 0.00 -2.02 0.00 0.00 63.50 62.25 1mfi n PRO 33 Cb 0.52 -2.30 0.72 0.00 -0.02 0.00 0.00 33.50 32.41 1mfi n PRO 33 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1mfi h ALA 34 N 1.68 2.60 -0.16 3.55 0.00 -1.92 0.74 119.26 125.77 1mfi h ALA 34 Ca -0.48 -0.02 0.05 0.00 0.00 0.00 0.00 54.91 54.46 1mfi h ALA 34 Cb 1.31 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 19.15 1mfi h ALA 34 CO 0.58 -0.91 0.22 0.37 0.00 0.00 0.00 179.25 179.51 1mfi h GLN 35 N 0.00 0.00 -0.57 0.00 5.75 -1.98 -1.19 115.11 117.12 1mfi h GLN 35 Ca 0.33 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.83 1mfi h GLN 35 Cb 1.42 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.97 1mfi h GLN 35 CO -0.00 0.00 0.00 0.66 -2.65 0.00 0.00 178.83 176.84 1mfi n TYR 36 N -3.61 1.06 -4.59 3.99 4.02 0.25 -4.97 117.16 113.32 1mfi n TYR 36 Ca 0.01 -0.58 -0.33 0.00 -0.01 0.00 0.00 57.90 56.99 1mfi n TYR 36 Cb 0.33 -0.13 -0.13 0.00 -0.02 0.00 0.00 39.34 39.38 1mfi n TYR 36 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 176.86 176.27 1mfi s ILE 37 N -1.51 3.47 -0.05 -0.72 1.01 -0.45 -1.53 121.20 121.41 1mfi s ILE 37 Ca 0.43 -0.51 0.04 0.00 0.00 0.00 0.00 60.65 60.61 1mfi s ILE 37 Cb 0.26 -2.49 -0.02 0.00 0.01 0.00 0.00 42.46 40.22 1mfi s ILE 37 CO 0.23 0.51 -0.17 0.00 0.00 0.00 0.00 174.94 175.51 1mfi s ALA 38 N 0.35 2.53 0.04 9.38 0.00 -0.71 -5.00 121.76 128.35 1mfi s ALA 38 Ca -0.08 -1.00 0.06 0.00 0.00 0.00 0.00 51.96 50.95 1mfi s ALA 38 Cb -0.15 -0.90 -0.02 0.00 0.00 0.00 0.00 23.12 22.05 1mfi s ALA 38 CO 0.04 0.51 -0.18 0.08 0.00 0.00 0.00 175.76 176.22 1mfi s VAL 39 N -0.56 1.40 -0.06 0.00 1.01 -1.26 -1.31 120.40 119.63 1mfi s VAL 39 Ca 0.08 -1.09 -0.02 0.00 0.00 0.00 0.00 61.98 60.94 1mfi s VAL 39 Cb -0.11 -1.24 0.04 0.00 0.00 0.00 0.00 36.38 35.07 1mfi s VAL 39 CO 0.01 0.12 0.11 -2.28 0.00 0.00 0.00 175.10 173.06 1mfi s HIS 40 N -0.81 -0.07 -0.09 5.22 2.46 -0.29 -4.96 115.29 116.75 1mfi s HIS 40 Ca 0.05 0.42 0.03 0.00 0.47 0.00 0.00 55.06 56.03 1mfi s HIS 40 Cb -0.08 -0.31 0.00 0.00 -0.13 0.00 0.00 32.58 32.06 1mfi s HIS 40 CO 0.01 -0.21 -0.21 0.08 -2.47 0.00 0.00 174.74 171.94 1mfi s VAL 41 N 1.97 1.85 -0.38 0.89 1.01 -1.26 -0.76 120.40 123.73 1mfi s VAL 41 Ca 0.01 -0.89 0.03 0.00 0.00 0.00 0.00 61.98 61.12 1mfi s VAL 41 Cb -0.12 -1.62 0.11 0.00 0.00 0.00 0.00 36.38 34.75 1mfi s VAL 41 CO -0.05 0.51 0.11 -0.69 0.00 0.00 0.00 175.10 174.99 1mfi s VAL 42 N 0.45 2.02 0.70 2.92 1.01 0.49 -4.97 120.40 123.02 1mfi s VAL 42 Ca -0.17 -2.38 -0.04 0.00 0.00 0.00 0.00 61.98 59.39 1mfi s VAL 42 Cb -0.17 -2.48 0.15 0.00 0.00 0.00 0.00 36.38 33.88 1mfi s VAL 42 CO 0.07 -0.67 0.96 -0.81 0.00 0.00 0.00 175.10 174.64 1mfi n PRO 43 N 4.09 -0.32 -1.59 2.72 -0.04 -1.26 -0.87 135.00 137.73 1mfi n PRO 43 Ca 0.03 -2.23 -0.18 0.00 -0.04 0.00 0.00 63.50 61.08 1mfi n PRO 43 Cb 0.40 -0.75 -0.07 0.00 -0.04 0.00 0.00 33.50 33.04 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 -3.14 -5.18 -4.85 3.54 8.00 0.12 -4.83 116.55 110.21 1mfi n ASP 44 Ca 0.15 0.41 -0.32 0.00 0.71 0.00 0.00 54.79 55.73 1mfi n ASP 44 Cb 0.52 -4.27 -0.04 0.00 -0.02 0.00 0.00 41.12 37.31 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 -3.65 3.93 -0.55 -1.24 -1.52 -0.19 -4.94 119.66 111.51 1mfi s GLN 45 Ca 0.00 0.89 -0.20 0.00 -1.95 0.00 0.00 55.36 54.10 1mfi s GLN 45 Cb 0.00 -2.18 0.07 0.00 -0.22 0.00 0.00 33.01 30.69 1mfi s GLN 45 CO 0.00 -0.23 0.70 -1.17 -0.25 0.00 0.00 175.29 174.34 1mfi s LEU 46 N -4.00 5.01 0.07 2.90 2.96 -1.26 -4.06 118.68 120.30 1mfi s LEU 46 Ca 0.58 -1.06 -0.09 0.00 -0.22 0.00 0.00 54.13 53.34 1mfi s LEU 46 Cb -0.10 -2.42 0.00 0.00 0.50 0.00 0.00 46.19 44.17 1mfi s LEU 46 CO 0.31 -1.03 0.19 -0.04 -1.32 0.00 0.00 176.35 174.46 1mfi s MET 47 N 2.84 0.78 0.06 1.98 -1.94 -1.26 -5.06 119.30 116.69 1mfi s MET 47 Ca 0.15 -0.83 0.02 0.00 -1.71 0.00 0.00 55.69 53.33 1mfi s MET 47 Cb -0.20 0.32 -0.03 0.00 2.01 0.00 0.00 34.83 36.93 1mfi s MET 47 CO 0.10 -0.24 -0.07 0.95 -0.01 0.00 0.00 175.02 175.75 1mfi s THR 48 N -3.34 0.57 -0.03 2.05 -4.23 -1.26 -4.61 115.64 104.79 1mfi s THR 48 Ca 0.01 -1.29 -0.00 0.00 -1.18 0.00 0.00 61.69 59.23 1mfi s THR 48 Cb 0.03 -0.87 0.03 0.00 1.34 0.00 0.00 72.50 73.02 1mfi s THR 48 CO -0.08 -0.50 0.02 0.12 -0.54 0.00 0.00 174.62 173.64 1mfi s PHE 49 N -1.93 0.16 -1.90 3.99 2.19 -0.75 -4.76 117.98 114.98 1mfi s PHE 49 Ca -0.05 0.10 0.00 0.00 0.33 0.00 0.00 56.93 57.31 1mfi s PHE 49 Cb -0.06 -0.37 0.00 0.00 -1.31 0.00 0.00 43.02 41.28 1mfi s PHE 49 CO -0.01 -0.13 0.00 0.43 1.83 0.00 0.00 175.22 177.34 1mfi n SER 50 N 4.44 -5.58 0.00 6.13 7.64 -1.26 -1.78 113.62 123.22 1mfi n SER 50 Ca -0.22 0.22 0.00 0.00 1.01 0.00 0.00 58.87 59.88 1mfi n SER 50 Cb 0.50 -4.71 0.00 0.00 -1.01 0.00 0.00 64.21 58.99 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 -0.79 1.64 3.60 0.23 0.00 -1.26 -5.03 105.19 103.58 1mfi n GLY 51 Ca -0.22 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.56 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 -3.38 2.70 -0.80 2.61 -4.23 -0.73 -5.03 115.64 106.78 1mfi s THR 52 Ca 0.00 -2.06 0.16 0.00 -1.18 0.00 0.00 61.69 58.61 1mfi s THR 52 Cb 0.00 -2.70 0.76 0.00 1.34 0.00 0.00 72.50 71.90 1mfi s THR 52 CO 0.00 -0.26 1.67 -0.46 -0.54 0.00 0.00 174.62 175.03 1mfi n ASN 53 N -0.87 5.14 -4.53 3.99 0.23 -1.26 -1.81 115.26 116.15 1mfi n ASN 53 Ca -0.05 -2.63 -0.29 0.00 -0.53 0.00 0.00 54.58 51.08 1mfi n ASN 53 Cb 0.61 -0.62 0.23 0.00 -2.08 0.00 0.00 39.78 37.92 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 -0.84 1.36 0.31 0.53 1.11 -1.26 -4.87 116.67 113.01 1mfi s ASP 54 Ca 0.52 1.67 -0.29 0.00 0.18 0.00 0.00 52.55 54.63 1mfi s ASP 54 Cb 0.36 -2.36 -0.12 0.00 1.07 0.00 0.00 42.92 41.86 1mfi s ASP 54 CO 0.21 -3.99 1.37 -2.65 1.18 0.00 0.00 175.17 171.30 1mfi n PRO 55 N -4.78 2.22 -3.82 8.23 -0.02 -1.26 -4.86 135.00 130.71 1mfi n PRO 55 Ca 0.05 0.78 -0.08 0.00 -2.02 0.00 0.00 63.50 62.23 1mfi n PRO 55 Cb 0.54 -2.42 -0.02 0.00 -0.02 0.00 0.00 33.50 31.57 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 -3.91 -0.62 -0.13 0.00 0.00 -0.59 -3.36 121.76 113.15 1mfi s ALA 57 Ca 0.11 0.18 0.00 0.00 0.00 0.00 0.00 51.96 52.25 1mfi s ALA 57 Cb -0.05 0.07 0.02 0.00 0.00 0.00 0.00 23.12 23.16 1mfi s ALA 57 CO 0.04 -0.24 -0.12 -0.51 0.00 0.00 0.00 175.76 174.93 1mfi s LEU 58 N -1.29 1.55 0.28 0.00 1.43 0.64 -2.39 118.68 118.90 1mfi s LEU 58 Ca -0.13 -0.43 0.09 0.00 -1.03 0.00 0.00 54.13 52.63 1mfi s LEU 58 Cb -0.06 -1.07 -0.05 0.00 0.03 0.00 0.00 46.19 45.03 1mfi s LEU 58 CO 0.03 -0.07 -0.12 0.00 0.23 0.00 0.00 176.35 176.43 1mfi s SER 60 N -3.47 0.31 -0.16 0.00 0.01 -0.27 -0.80 113.70 109.32 1mfi s SER 60 Ca 0.29 -0.04 -0.00 0.00 1.31 0.00 0.00 55.95 57.50 1mfi s SER 60 Cb 0.00 -0.06 0.04 0.00 0.21 0.00 0.00 66.02 66.21 1mfi s SER 60 CO 0.12 0.01 -0.08 -0.22 0.41 0.00 0.00 173.24 173.49 1mfi s LEU 61 N 0.11 1.66 -0.09 2.44 2.96 -0.31 -0.89 118.68 124.56 1mfi s LEU 61 Ca -0.01 -0.61 0.00 0.00 -0.22 0.00 0.00 54.13 53.29 1mfi s LEU 61 Cb -0.03 -0.99 -0.03 0.00 0.50 0.00 0.00 46.19 45.65 1mfi s LEU 61 CO -0.00 -0.15 -0.08 -1.00 -1.32 0.00 0.00 176.35 173.79 1mfi s HIS 62 N 1.59 2.90 0.03 5.38 3.76 -0.14 -1.18 115.29 127.62 1mfi s HIS 62 Ca 0.02 -0.17 -0.13 0.00 -0.15 0.00 0.00 55.06 54.62 1mfi s HIS 62 Cb -0.15 -1.76 0.02 0.00 1.11 0.00 0.00 32.58 31.80 1mfi s HIS 62 CO -0.08 0.15 0.29 0.45 -0.85 0.00 0.00 174.74 174.70 1mfi s SER 63 N -0.39 -0.12 -0.57 1.40 0.15 -0.86 -0.68 113.70 112.63 1mfi s SER 63 Ca 0.05 -0.15 -0.18 0.00 0.70 0.00 0.00 55.95 56.37 1mfi s SER 63 Cb -0.12 0.34 0.11 0.00 -1.71 0.00 0.00 66.02 64.63 1mfi s SER 63 CO 0.02 -0.57 0.63 -0.63 1.20 0.00 0.00 173.24 173.90 1mfi s ILE 64 N -2.27 4.95 0.04 6.45 1.01 -1.26 0.60 121.20 130.71 1mfi s ILE 64 Ca -0.07 -1.12 0.00 0.00 0.00 0.00 0.00 60.65 59.46 1mfi s ILE 64 Cb -0.02 -4.43 0.00 0.00 0.01 0.00 0.00 42.46 38.02 1mfi s ILE 64 CO -0.02 -1.02 0.00 0.61 0.00 0.00 0.00 174.94 174.51 1mfi n GLY 65 N 5.27 -1.50 2.51 6.18 0.00 -1.26 -4.92 105.19 111.46 1mfi n GLY 65 Ca -0.11 -1.49 -0.08 0.00 0.00 0.00 0.00 46.02 44.34 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 -1.65 -1.11 -4.94 1.61 4.76 -1.26 -4.94 118.16 110.62 1mfi n LYS 66 Ca -0.00 0.72 -0.28 0.00 -2.87 0.00 0.00 58.31 55.89 1mfi n LYS 66 Cb 0.07 -4.77 -0.16 0.00 -1.84 0.00 0.00 35.03 28.32 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 -2.04 1.61 0.00 -0.18 -1.09 -1.26 -4.92 121.20 113.31 1mfi s ILE 67 Ca 0.00 -0.80 0.00 0.00 -2.23 0.00 0.00 60.65 57.62 1mfi s ILE 67 Cb 0.00 -1.38 0.00 0.00 -1.58 0.00 0.00 42.46 39.50 1mfi s ILE 67 CO 0.00 0.46 0.00 0.61 -1.23 0.00 0.00 174.94 174.78 1mfi n GLY 68 N 3.24 1.83 0.00 6.18 0.00 -1.26 -4.96 105.19 110.21 1mfi n GLY 68 Ca -0.19 -0.90 0.00 0.00 0.00 0.00 0.00 46.02 44.93 1mfi n GLY 68 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1mfi n GLY 69 N -0.64 -0.08 0.30 -0.02 0.00 -1.26 -0.76 105.19 102.73 1mfi n GLY 69 Ca 0.00 0.02 -0.06 0.00 0.00 0.00 0.00 46.02 45.98 1mfi n GLY 69 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1mfi h ALA 70 N -0.19 0.93 -0.78 4.61 0.00 -2.02 -2.87 119.26 118.95 1mfi h ALA 70 Ca 0.00 -0.12 0.05 0.00 0.00 0.00 0.00 54.91 54.84 1mfi h ALA 70 Cb 0.00 -0.29 -0.05 0.00 0.00 0.00 0.00 17.79 17.45 1mfi h ALA 70 CO 0.00 0.46 0.51 0.37 0.00 0.00 0.00 179.25 180.59 1mfi h GLN 71 N 1.01 0.87 0.00 0.00 5.75 -1.85 -1.52 115.11 119.37 1mfi h GLN 71 Ca 0.26 -0.05 -0.02 0.00 -0.15 0.00 0.00 58.65 58.68 1mfi h GLN 71 Cb 0.05 -0.20 -0.00 0.00 1.07 0.00 0.00 27.48 28.40 1mfi h GLN 71 CO -0.04 0.57 -0.11 -0.91 -2.65 0.00 0.00 178.83 175.69 1mfi h ASN 72 N 0.89 0.00 -0.63 -0.69 2.35 -0.71 -0.67 115.58 116.12 1mfi h ASN 72 Ca 0.32 0.00 -0.08 0.00 -0.55 0.00 0.00 56.30 56.00 1mfi h ASN 72 Cb 0.15 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 38.49 1mfi h ASN 72 CO -0.10 0.11 0.10 0.03 -1.65 0.00 0.00 177.43 175.92 1mfi h ARG 73 N 0.00 1.06 -0.48 0.81 3.08 -1.29 -0.85 114.38 116.70 1mfi h ARG 73 Ca -0.00 -0.28 -0.07 0.00 0.07 0.00 0.00 59.98 59.70 1mfi h ARG 73 Cb 0.21 -0.13 -0.02 0.00 0.08 0.00 0.00 29.97 30.12 1mfi h ARG 73 CO 0.01 0.97 0.01 -0.91 -1.07 0.00 0.00 179.97 178.99 1mfi h ASN 74 N 0.99 0.83 -0.65 7.04 2.35 -1.15 -1.39 115.58 123.60 1mfi h ASN 74 Ca 0.20 -0.30 -0.04 0.00 -0.55 0.00 0.00 56.30 55.61 1mfi h ASN 74 Cb 0.43 -0.22 -0.03 0.00 0.05 0.00 0.00 38.32 38.55 1mfi h ASN 74 CO 0.01 0.92 0.26 1.88 -1.65 0.00 0.00 177.43 178.85 1mfi h TYR 75 N 0.70 1.00 -0.83 1.19 0.05 -1.01 -1.78 116.97 116.30 1mfi h TYR 75 Ca 0.14 -0.08 -0.02 0.00 0.05 0.00 0.00 58.73 58.82 1mfi h TYR 75 Cb 0.49 -0.30 -0.04 0.00 1.01 0.00 0.00 36.73 37.89 1mfi h TYR 75 CO 0.04 0.79 0.44 0.77 -1.05 0.00 0.00 178.16 179.14 1mfi h SER 76 N 0.93 1.05 0.15 3.88 0.02 -0.64 0.31 113.55 119.24 1mfi h SER 76 Ca 0.22 -0.11 -0.01 0.00 -0.84 0.00 0.00 61.79 61.05 1mfi h SER 76 Cb 0.22 -0.27 0.00 0.00 0.14 0.00 0.00 62.40 62.49 1mfi h SER 76 CO -0.02 0.86 -0.07 0.50 -1.14 0.00 0.00 176.83 176.96 1mfi h LYS 77 N 1.16 -0.19 0.34 3.45 3.64 -1.06 -0.71 116.57 123.19 1mfi h LYS 77 Ca 0.29 0.01 -0.00 0.00 -1.27 0.00 0.00 60.65 59.68 1mfi h LYS 77 Cb 0.05 0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 31.90 1mfi h LYS 77 CO -0.04 -0.05 -0.30 1.25 -2.27 0.00 0.00 179.45 178.04 1mfi h LEU 78 N -0.30 -0.80 -0.28 5.20 5.85 -1.10 -1.52 115.31 122.36 1mfi h LEU 78 Ca -0.02 0.07 0.00 0.00 0.84 0.00 0.00 57.88 58.77 1mfi h LEU 78 Cb 0.24 0.26 -0.01 0.00 0.37 0.00 0.00 40.66 41.52 1mfi h LEU 78 CO 0.03 -0.44 0.18 -0.07 -0.34 0.00 0.00 178.44 177.81 1mfi h LEU 79 N -0.66 0.33 -1.11 2.25 4.07 -0.95 -1.92 115.31 117.31 1mfi h LEU 79 Ca -0.02 -0.02 -0.04 0.00 0.08 0.00 0.00 57.88 57.88 1mfi h LEU 79 Cb 0.59 -0.08 -0.03 0.00 1.08 0.00 0.00 40.66 42.22 1mfi h LEU 79 CO -0.04 0.26 0.21 0.00 -1.08 0.00 0.00 178.44 177.79 1mfi h GLY 81 N 0.96 0.59 0.90 0.00 0.00 -0.59 -0.26 103.07 104.67 1mfi h GLY 81 Ca 0.19 -0.21 -0.01 0.00 0.00 0.00 0.00 47.33 47.31 1mfi h GLY 81 CO -0.01 0.20 0.08 1.41 0.00 0.00 0.00 176.54 178.22 1mfi h LEU 82 N 0.55 0.24 -1.19 3.11 4.07 -1.00 0.11 115.31 121.21 1mfi h LEU 82 Ca 0.16 -0.14 -0.08 0.00 0.08 0.00 0.00 57.88 57.91 1mfi h LEU 82 Cb -0.04 -0.06 -0.01 0.00 1.08 0.00 0.00 40.66 41.63 1mfi h LEU 82 CO -0.05 0.31 -0.27 -0.07 -1.08 0.00 0.00 178.44 177.28 1mfi h LEU 83 N 0.16 0.21 0.25 1.67 3.38 -0.98 0.60 115.31 120.60 1mfi h LEU 83 Ca 0.06 -0.06 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 1mfi h LEU 83 Cb 0.14 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 40.83 1mfi h LEU 83 CO -0.01 0.49 -0.12 -1.28 0.09 0.00 0.00 178.44 177.61 1mfi h SER 84 N 0.19 -0.28 -0.41 -0.43 0.87 -0.73 -0.05 113.55 112.71 1mfi h SER 84 Ca 0.03 -0.24 0.00 0.00 -1.23 0.00 0.00 61.79 60.36 1mfi h SER 84 Cb 0.59 0.07 -0.02 0.00 -0.44 0.00 0.00 62.40 62.60 1mfi h SER 84 CO 0.04 0.13 0.27 0.44 -0.53 0.00 0.00 176.83 177.18 1mfi h ASP 85 N -0.76 0.47 0.35 6.23 3.32 -0.59 0.92 116.42 126.37 1mfi h ASP 85 Ca -0.03 -0.02 -0.32 0.00 0.02 0.00 0.00 57.03 56.67 1mfi h ASP 85 Cb 0.50 -0.12 -0.02 0.00 0.22 0.00 0.00 39.33 39.92 1mfi h ASP 85 CO 0.06 0.35 -1.71 0.03 -1.72 0.00 0.00 179.24 176.25 1mfi h ARG 86 N 0.55 0.23 -0.01 3.56 2.47 -0.97 -3.39 114.38 116.82 1mfi h ARG 86 Ca 0.15 -0.39 0.00 0.00 -1.26 0.00 0.00 59.98 58.48 1mfi h ARG 86 Cb -0.05 0.14 0.00 0.00 -1.65 0.00 0.00 29.97 28.41 1mfi h ARG 86 CO -0.03 1.06 -0.13 1.28 0.56 0.00 0.00 179.97 182.71 1mfi n LEU 87 N -3.40 1.24 -2.35 3.04 4.77 -0.15 -4.74 117.00 115.41 1mfi n LEU 87 Ca -0.21 -0.82 -0.17 0.00 -0.03 0.00 0.00 56.01 54.77 1mfi n LEU 87 Cb 1.05 0.00 0.03 0.00 -2.33 0.00 0.00 43.42 42.17 1mfi n LEU 87 CO 0.48 0.25 0.01 1.41 -1.33 0.00 0.00 177.39 178.21 1mfi n HIS 88 N -0.10 -1.52 -3.63 -1.77 8.25 0.32 -4.96 115.22 111.80 1mfi n HIS 88 Ca 0.04 0.42 -0.36 0.00 -0.26 0.00 0.00 57.72 57.55 1mfi n HIS 88 Cb 0.18 -3.67 -0.07 0.00 1.12 0.00 0.00 29.99 27.55 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 -3.03 5.35 0.21 1.59 1.01 -0.99 -4.95 121.20 120.39 1mfi s ILE 89 Ca 0.24 0.40 -0.30 0.00 0.00 0.00 0.00 60.65 60.99 1mfi s ILE 89 Cb -0.11 -3.56 -0.09 0.00 0.01 0.00 0.00 42.46 38.72 1mfi s ILE 89 CO 0.30 0.43 1.24 -0.55 0.00 0.00 0.00 174.94 176.36 1mfi s SER 90 N 0.28 7.01 0.45 3.58 0.15 -1.26 -3.43 113.70 120.47 1mfi s SER 90 Ca 0.13 2.34 0.22 0.00 0.70 0.00 0.00 55.95 59.34 1mfi s SER 90 Cb -0.12 -2.61 1.21 0.00 -1.71 0.00 0.00 66.02 62.79 1mfi s SER 90 CO 0.02 -0.42 1.84 -0.65 1.20 0.00 0.00 173.24 175.22 1mfi h PRO 91 N 5.00 0.28 0.00 5.44 0.11 -1.96 0.34 132.00 141.21 1mfi h PRO 91 Ca -0.45 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.64 1mfi h PRO 91 Cb 1.21 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.26 1mfi h PRO 91 CO 0.74 0.18 0.00 -0.40 -0.21 0.00 0.00 178.00 178.31 1mfi n ASP 92 N -4.46 0.00 -0.79 -2.05 5.75 -1.26 -2.58 116.55 111.16 1mfi n ASP 92 Ca 0.21 -1.54 0.04 0.00 -0.01 0.00 0.00 54.79 53.49 1mfi n ASP 92 Cb 0.85 0.00 0.18 0.00 -1.03 0.00 0.00 41.12 41.12 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 -0.71 1.62 -4.49 0.11 1.74 0.12 -4.99 116.66 110.07 1mfi n ARG 93 Ca 0.10 -3.28 -0.23 0.00 -0.77 0.00 0.00 57.85 53.68 1mfi n ARG 93 Cb 0.04 -1.55 -0.16 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 -3.10 0.96 -0.03 1.55 1.01 -1.06 -1.54 120.40 118.19 1mfi s VAL 94 Ca 0.39 -0.41 0.06 0.00 0.00 0.00 0.00 61.98 62.02 1mfi s VAL 94 Cb 0.37 -0.87 -0.02 0.00 0.00 0.00 0.00 36.38 35.86 1mfi s VAL 94 CO -0.07 0.30 -0.22 -0.31 0.00 0.00 0.00 175.10 174.80 1mfi s TYR 95 N 0.46 2.45 -0.09 5.22 2.02 -1.00 -5.01 117.35 121.40 1mfi s TYR 95 Ca -0.09 -0.39 0.01 0.00 -0.37 0.00 0.00 57.07 56.23 1mfi s TYR 95 Cb -0.13 -1.55 0.02 0.00 -0.40 0.00 0.00 41.96 39.91 1mfi s TYR 95 CO 0.02 0.01 -0.09 0.42 -1.57 0.00 0.00 175.55 174.34 1mfi s ILE 96 N -0.59 1.00 -0.14 2.71 1.01 -1.26 -0.85 121.20 123.08 1mfi s ILE 96 Ca 0.09 -0.32 -0.14 0.00 0.00 0.00 0.00 60.65 60.28 1mfi s ILE 96 Cb -0.11 -0.98 -0.05 0.00 0.01 0.00 0.00 42.46 41.33 1mfi s ILE 96 CO -0.00 0.35 0.30 0.20 0.00 0.00 0.00 174.94 175.78 1mfi s ASN 97 N 1.31 6.47 -0.14 3.58 0.01 0.02 -4.96 114.94 121.23 1mfi s ASN 97 Ca -0.03 0.55 -0.03 0.00 -0.71 0.00 0.00 52.86 52.65 1mfi s ASN 97 Cb -0.14 -2.18 -0.03 0.00 0.41 0.00 0.00 41.25 39.31 1mfi s ASN 97 CO -0.04 0.14 -0.04 -0.31 -1.51 0.00 0.00 177.10 175.35 1mfi s TYR 98 N 0.23 3.03 -0.10 2.20 2.02 -1.26 -1.16 117.35 122.31 1mfi s TYR 98 Ca 0.17 -0.22 0.02 0.00 -0.37 0.00 0.00 57.07 56.67 1mfi s TYR 98 Cb -0.13 -1.92 0.01 0.00 -0.40 0.00 0.00 41.96 39.52 1mfi s TYR 98 CO 0.05 0.05 -0.14 0.71 -1.57 0.00 0.00 175.55 174.65 1mfi s TYR 99 N 0.13 1.83 -0.36 2.71 2.02 -0.33 -4.98 117.35 118.37 1mfi s TYR 99 Ca -0.01 -0.81 -0.18 0.00 -0.37 0.00 0.00 57.07 55.70 1mfi s TYR 99 Cb -0.14 -1.33 -0.00 0.00 -0.40 0.00 0.00 41.96 40.10 1mfi s TYR 99 CO 0.03 -0.42 0.49 0.34 -1.57 0.00 0.00 175.55 174.42 1mfi s ASP 100 N 0.91 6.29 0.06 2.29 -1.08 -1.26 -2.04 116.67 121.85 1mfi s ASP 100 Ca -0.09 -0.12 -0.10 0.00 -0.52 0.00 0.00 52.55 51.72 1mfi s ASP 100 Cb -0.15 -2.26 -0.06 0.00 -1.46 0.00 0.00 42.92 38.99 1mfi s ASP 100 CO 0.00 -0.48 0.39 -0.04 0.52 0.00 0.00 175.17 175.56 1mfi s MET 101 N 2.35 3.76 0.03 4.34 -1.94 0.20 -4.96 119.30 123.08 1mfi s MET 101 Ca 0.17 0.18 -0.25 0.00 -1.71 0.00 0.00 55.69 54.09 1mfi s MET 101 Cb -0.16 -3.03 -0.05 0.00 2.01 0.00 0.00 34.83 33.60 1mfi s MET 101 CO 0.13 0.58 0.77 1.21 -0.01 0.00 0.00 175.02 177.70 1mfi s ASN 102 N -1.67 7.19 0.47 3.03 3.84 -1.26 -4.31 114.94 122.24 1mfi s ASN 102 Ca 0.31 1.43 0.24 0.00 0.21 0.00 0.00 52.86 55.05 1mfi s ASN 102 Cb -0.14 -2.47 1.28 0.00 -0.55 0.00 0.00 41.25 39.37 1mfi s ASN 102 CO 0.17 -0.01 1.87 0.00 -2.79 0.00 0.00 177.10 176.34 1mfi h ALA 103 N 5.83 2.50 0.00 1.71 0.00 -1.94 0.16 119.26 127.52 1mfi h ALA 103 Ca -0.43 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.47 1mfi h ALA 103 Cb 1.20 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.02 1mfi h ALA 103 CO 0.72 -0.78 0.00 0.00 0.00 0.00 0.00 179.25 179.19 1mfi h ALA 104 N 1.59 1.00 -0.58 0.00 0.00 -1.92 -2.36 119.26 116.98 1mfi h ALA 104 Ca 0.45 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.36 1mfi h ALA 104 Cb 1.42 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.21 1mfi h ALA 104 CO -0.10 0.00 0.00 0.09 0.00 0.00 0.00 179.25 179.24 1mfi n ASN 105 N -2.54 3.99 -4.05 0.00 3.02 0.57 -4.87 115.26 111.38 1mfi n ASN 105 Ca 0.01 -2.22 -0.31 0.00 -0.03 0.00 0.00 54.58 52.02 1mfi n ASN 105 Cb 0.21 -0.46 -0.16 0.00 -0.61 0.00 0.00 39.78 38.76 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 -1.41 1.86 -0.02 2.41 1.01 -0.92 -4.92 120.40 118.41 1mfi s VAL 106 Ca 0.43 -1.03 -0.12 0.00 0.00 0.00 0.00 61.98 61.26 1mfi s VAL 106 Cb 0.25 -1.82 -0.05 0.00 0.00 0.00 0.00 36.38 34.76 1mfi s VAL 106 CO 0.25 0.30 0.34 -0.83 0.00 0.00 0.00 175.10 175.16 1mfi s GLY 107 N 1.33 2.38 -0.23 4.51 0.00 -1.26 -1.55 107.32 112.50 1mfi s GLY 107 Ca 0.00 -0.35 -0.20 0.00 0.00 0.00 0.00 44.72 44.18 1mfi s GLY 107 CO -0.10 -0.03 0.61 0.86 0.00 0.00 0.00 173.10 174.45 1mfi s TRP 108 N -1.11 -0.70 -1.42 1.90 -0.00 0.55 -4.97 118.94 113.19 1mfi s TRP 108 Ca 0.23 1.67 -0.05 0.00 -0.00 0.00 0.00 56.10 57.95 1mfi s TRP 108 Cb -0.15 0.27 0.03 0.00 -0.00 0.00 0.00 33.47 33.62 1mfi s TRP 108 CO 0.12 -0.34 0.71 -1.71 -0.00 0.00 0.00 176.95 175.73 1mfi n ASN 109 N 2.95 -2.07 0.00 5.86 4.05 -1.26 -1.77 115.26 123.02 1mfi n ASN 109 Ca -0.15 -0.87 0.00 0.00 0.45 0.00 0.00 54.58 54.02 1mfi n ASN 109 Cb 0.56 -3.68 0.00 0.00 1.23 0.00 0.00 39.78 37.89 1mfi n ASN 109 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 1mfi n GLY 110 N -1.69 2.41 0.00 8.20 0.00 -1.26 -4.95 105.19 107.90 1mfi n GLY 110 Ca -0.19 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.83 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 0.00 0.30 -4.63 1.61 2.88 -0.73 -5.17 113.62 107.88 1mfi n SER 111 Ca 0.00 -0.23 -0.25 0.00 -1.33 0.00 0.00 58.87 57.06 1mfi n SER 111 Cb 0.00 0.00 -0.09 0.00 -0.75 0.00 0.00 64.21 63.37 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 -0.96 2.58 -0.72 2.46 -4.23 -1.26 -0.33 115.64 113.18 1mfi s THR 112 Ca 0.00 -1.97 0.22 0.00 -1.18 0.00 0.00 61.69 58.76 1mfi s THR 112 Cb 0.00 -2.81 0.21 0.00 1.34 0.00 0.00 72.50 71.24 1mfi s THR 112 CO 0.00 -0.18 1.66 0.49 -0.54 0.00 0.00 174.62 176.05 1mfi n PHE 113 N -0.96 0.51 0.00 3.99 3.72 -0.59 -4.84 117.46 119.28 1mfi n PHE 113 Ca -0.04 0.19 0.00 0.00 -0.05 0.00 0.00 57.45 57.55 1mfi n PHE 113 Cb 0.63 -0.80 0.00 0.00 -0.94 0.00 0.00 39.48 38.36 1mfi n PHE 113 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71