#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1mff s MET 2 N 0.00 0.09 -0.13 -0.52 0.23 0.08 -1.60 119.30 117.46 1mff s MET 2 Ca 0.00 0.08 0.02 0.00 -1.03 0.00 0.00 55.69 54.76 1mff s MET 2 Cb 0.00 -0.25 0.01 0.00 -1.53 0.00 0.00 34.83 33.06 1mff s MET 2 CO 0.00 -0.09 -0.18 0.12 -2.03 0.00 0.00 175.02 172.84 1mff s PHE 3 N 0.65 2.31 -0.09 3.16 5.36 -0.19 -1.06 117.98 128.12 1mff s PHE 3 Ca -0.06 -1.14 0.04 0.00 -0.96 0.00 0.00 56.93 54.81 1mff s PHE 3 Cb -0.09 -1.62 -0.00 0.00 -0.34 0.00 0.00 43.02 40.98 1mff s PHE 3 CO -0.02 -0.55 -0.23 0.42 -1.46 0.00 0.00 175.22 173.38 1mff s ILE 4 N 0.93 2.15 -0.20 3.12 1.01 -0.40 -1.08 121.20 126.73 1mff s ILE 4 Ca -0.06 -1.00 0.01 0.00 0.00 0.00 0.00 60.65 59.60 1mff s ILE 4 Cb -0.15 -1.81 0.03 0.00 0.01 0.00 0.00 42.46 40.53 1mff s ILE 4 CO -0.02 0.56 -0.17 -0.69 0.00 0.00 0.00 174.94 174.62 1mff s VAL 5 N 0.21 2.21 -0.12 2.92 1.01 0.64 -1.57 120.40 125.70 1mff s VAL 5 Ca -0.14 -1.05 -0.04 0.00 0.00 0.00 0.00 61.98 60.75 1mff s VAL 5 Cb -0.17 -2.01 -0.04 0.00 0.00 0.00 0.00 36.38 34.16 1mff s VAL 5 CO 0.07 0.41 0.03 0.20 0.00 0.00 0.00 175.10 175.81 1mff s ASN 6 N 1.27 5.41 0.03 3.32 0.01 0.20 -0.16 114.94 125.02 1mff s ASN 6 Ca 0.02 0.13 -0.17 0.00 -0.71 0.00 0.00 52.86 52.14 1mff s ASN 6 Cb -0.15 -1.70 0.03 0.00 0.41 0.00 0.00 41.25 39.84 1mff s ASN 6 CO -0.10 0.31 0.37 0.28 -1.51 0.00 0.00 177.10 176.44 1mff s THR 7 N -0.44 0.06 -2.03 1.60 -1.32 -0.35 -0.79 115.64 112.37 1mff s THR 7 Ca 0.09 -0.52 0.11 0.00 -1.21 0.00 0.00 61.69 60.16 1mff s THR 7 Cb -0.12 -0.89 0.29 0.00 -1.51 0.00 0.00 72.50 70.27 1mff s THR 7 CO 0.02 -0.28 1.27 -0.46 -2.21 0.00 0.00 174.62 172.95 1mff n ASN 8 N 0.68 1.48 -4.74 8.08 6.94 -1.22 -1.50 115.26 124.97 1mff n ASN 8 Ca -0.19 -1.94 -0.41 0.00 -0.02 0.00 0.00 54.58 52.02 1mff n ASN 8 Cb 0.59 -0.17 -0.03 0.00 -2.36 0.00 0.00 39.78 37.80 1mff n ASN 8 CO 0.00 0.00 0.00 -0.69 -1.03 0.00 0.00 177.26 175.54 1mff s VAL 9 N -1.66 3.32 0.58 3.53 1.01 -1.26 -4.33 120.40 121.59 1mff s VAL 9 Ca 0.21 1.15 -0.20 0.00 0.00 0.00 0.00 61.98 63.14 1mff s VAL 9 Cb 0.11 -3.73 -0.04 0.00 0.00 0.00 0.00 36.38 32.72 1mff s VAL 9 CO 0.15 0.20 1.30 -2.84 0.00 0.00 0.00 175.10 173.91 1mff s PRO 10 N -0.57 2.96 0.26 2.72 0.02 -1.26 -0.82 135.00 138.30 1mff s PRO 10 Ca 0.52 2.09 -0.02 0.00 0.02 0.00 0.00 61.00 63.61 1mff s PRO 10 Cb -0.35 -2.08 0.54 0.00 0.02 0.00 0.00 34.50 32.63 1mff s PRO 10 CO 0.40 -1.29 1.73 -0.09 -0.33 0.00 0.00 177.00 177.42 1mff h ARG 11 N 1.10 0.48 -0.02 5.54 2.43 -1.93 -1.08 114.38 120.91 1mff h ARG 11 Ca -0.51 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 58.64 1mff h ARG 11 Cb 1.31 -0.11 -0.00 0.00 -0.42 0.00 0.00 29.97 30.75 1mff h ARG 11 CO 0.56 0.31 0.01 0.00 -1.51 0.00 0.00 179.97 179.35 1mff h ALA 12 N 1.59 1.86 -0.00 2.80 0.00 -2.03 -1.04 119.26 122.44 1mff h ALA 12 Ca 0.46 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.37 1mff h ALA 12 Cb 0.73 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.52 1mff h ALA 12 CO -0.42 -0.02 -0.03 0.43 0.00 0.00 0.00 179.25 179.21 1mff n SER 13 N -4.31 0.20 -4.60 0.00 7.64 -0.41 -4.74 113.62 107.40 1mff n SER 13 Ca -0.03 -0.61 -0.42 0.00 1.01 0.00 0.00 58.87 58.83 1mff n SER 13 Cb 0.10 -0.12 -0.05 0.00 -1.01 0.00 0.00 64.21 63.13 1mff n SER 13 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 1mff s VAL 14 N -2.33 4.78 0.42 0.44 1.01 -0.40 -4.81 120.40 119.52 1mff s VAL 14 Ca 0.35 0.97 -0.24 0.00 0.00 0.00 0.00 61.98 63.06 1mff s VAL 14 Cb 0.21 -4.16 -0.08 0.00 0.00 0.00 0.00 36.38 32.35 1mff s VAL 14 CO 0.43 -0.33 1.10 -2.16 0.00 0.00 0.00 175.10 174.13 1mff s PRO 15 N 2.98 4.01 0.31 2.72 0.04 -1.26 -4.97 135.00 138.83 1mff s PRO 15 Ca 0.31 1.63 -0.29 0.00 0.04 0.00 0.00 61.00 62.69 1mff s PRO 15 Cb -0.14 -2.50 -0.13 0.00 0.04 0.00 0.00 34.50 31.77 1mff s PRO 15 CO 0.15 -0.30 1.29 0.39 0.04 0.00 0.00 177.00 178.57 1mff n GLU 16 N -0.21 2.04 0.00 4.56 4.71 -1.26 -2.19 120.64 128.29 1mff n GLU 16 Ca 0.06 0.72 0.00 0.00 -0.01 0.00 0.00 57.16 57.93 1mff n GLU 16 Cb 0.49 -2.30 0.00 0.00 -1.01 0.00 0.00 31.44 28.62 1mff n GLU 16 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1mff n GLY 17 N 1.13 1.05 0.31 0.62 0.00 -1.26 -4.93 105.19 102.12 1mff n GLY 17 Ca 0.07 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.04 1mff n GLY 17 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1mff h PHE 18 N 0.00 1.02 -0.07 1.61 3.57 -1.82 -0.48 116.94 120.76 1mff h PHE 18 Ca 0.00 -0.11 -0.15 0.00 3.53 0.00 0.00 57.97 61.23 1mff h PHE 18 Cb 0.00 -0.29 -0.01 0.00 2.79 0.00 0.00 35.95 38.44 1mff h PHE 18 CO 0.00 0.84 -0.63 -0.07 -2.23 0.00 0.00 178.31 176.22 1mff h LEU 19 N 0.93 0.29 -0.29 0.59 4.07 -1.92 0.06 115.31 119.04 1mff h LEU 19 Ca 0.20 -0.18 -0.20 0.00 0.08 0.00 0.00 57.88 57.78 1mff h LEU 19 Cb 0.35 -0.09 0.00 0.00 1.08 0.00 0.00 40.66 42.01 1mff h LEU 19 CO 0.00 0.85 -0.77 -1.28 -1.08 0.00 0.00 178.44 176.17 1mff h SER 20 N 0.18 0.67 0.04 -0.43 0.87 -1.78 0.07 113.55 113.17 1mff h SER 20 Ca -0.01 -0.45 -0.00 0.00 -1.23 0.00 0.00 61.79 60.10 1mff h SER 20 Cb 1.16 -0.20 0.00 0.00 -0.44 0.00 0.00 62.40 62.92 1mff h SER 20 CO 0.10 1.21 -0.02 -0.08 -0.53 0.00 0.00 176.83 177.51 1mff h GLU 21 N 0.38 -0.05 -0.64 2.24 4.81 -0.72 -0.73 114.58 119.86 1mff h GLU 21 Ca -0.04 0.00 0.09 0.00 -0.13 0.00 0.00 59.36 59.28 1mff h GLU 21 Cb 1.37 0.01 -0.07 0.00 0.63 0.00 0.00 28.75 30.69 1mff h GLU 21 CO 0.14 0.05 0.27 -0.07 -0.73 0.00 0.00 179.01 178.67 1mff h LEU 22 N -0.14 0.30 0.01 1.64 3.38 -0.92 -1.50 115.31 118.08 1mff h LEU 22 Ca -0.01 0.07 0.03 0.00 0.09 0.00 0.00 57.88 58.06 1mff h LEU 22 Cb 0.13 0.03 -0.04 0.00 0.09 0.00 0.00 40.66 40.87 1mff h LEU 22 CO 0.01 0.18 -0.20 0.74 0.09 0.00 0.00 178.44 179.26 1mff h THR 23 N 0.47 0.54 -0.46 0.22 2.02 -0.34 -0.45 112.91 114.91 1mff h THR 23 Ca 0.32 0.00 0.04 0.00 0.77 0.00 0.00 66.41 67.54 1mff h THR 23 Cb 0.37 0.54 -0.04 0.00 -1.74 0.00 0.00 68.15 67.28 1mff h THR 23 CO -0.29 0.00 0.22 1.56 0.37 0.00 0.00 175.52 177.38 1mff h GLN 24 N -0.32 0.43 -0.50 6.66 4.20 -1.05 -1.01 115.11 123.51 1mff h GLN 24 Ca 0.05 -0.03 -0.12 0.00 0.06 0.00 0.00 58.65 58.62 1mff h GLN 24 Cb 0.39 -0.10 -0.02 0.00 0.30 0.00 0.00 27.48 28.06 1mff h GLN 24 CO -0.17 0.29 -0.15 1.96 -0.67 0.00 0.00 178.83 180.08 1mff h GLN 25 N 0.45 0.99 -0.07 1.46 1.08 -1.12 -2.04 115.11 115.85 1mff h GLN 25 Ca 0.20 -0.39 0.01 0.00 -1.45 0.00 0.00 58.65 57.01 1mff h GLN 25 Cb 0.12 -0.05 -0.01 0.00 -0.05 0.00 0.00 27.48 27.49 1mff h GLN 25 CO -0.15 1.07 0.03 -0.07 -0.95 0.00 0.00 178.83 178.76 1mff h LEU 26 N 0.85 0.03 -0.88 1.46 3.38 -0.96 -0.86 115.31 118.33 1mff h LEU 26 Ca 0.12 0.01 0.10 0.00 0.09 0.00 0.00 57.88 58.20 1mff h LEU 26 Cb 0.72 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 41.40 1mff h LEU 26 CO 0.06 0.03 0.53 0.00 0.09 0.00 0.00 178.44 179.14 1mff h ALA 27 N 1.04 1.27 -0.18 1.53 0.00 -1.11 -0.82 119.26 120.99 1mff h ALA 27 Ca 0.03 0.02 -0.11 0.00 0.00 0.00 0.00 54.91 54.86 1mff h ALA 27 Cb 0.01 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 17.63 1mff h ALA 27 CO -0.03 0.17 -0.31 0.37 0.00 0.00 0.00 179.25 179.45 1mff h GLN 28 N 0.88 0.53 -0.51 0.00 5.75 -1.10 -0.08 115.11 120.58 1mff h GLN 28 Ca 0.42 -0.33 -0.11 0.00 -0.15 0.00 0.00 58.65 58.49 1mff h GLN 28 Cb 0.37 0.03 -0.02 0.00 1.07 0.00 0.00 27.48 28.93 1mff h GLN 28 CO -0.24 0.93 -0.10 0.00 -2.65 0.00 0.00 178.83 176.77 1mff h ALA 29 N 0.60 0.70 0.00 3.38 0.00 -0.99 -3.25 119.26 119.69 1mff h ALA 29 Ca 0.01 -0.34 -0.05 0.00 0.00 0.00 0.00 54.91 54.53 1mff h ALA 29 Cb 0.89 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.49 1mff h ALA 29 CO 0.07 0.60 -1.40 0.25 0.00 0.00 0.00 179.25 178.77 1mff n THR 30 N -4.21 0.62 -0.94 0.00 -2.24 -0.33 -4.98 114.28 102.21 1mff n THR 30 Ca 0.01 -0.58 0.00 0.00 -2.27 0.00 0.00 64.05 61.21 1mff n THR 30 Cb 0.39 -0.34 0.00 0.00 -2.10 0.00 0.00 70.33 68.28 1mff n THR 30 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1mff n GLY 31 N 1.27 0.53 3.87 3.38 0.00 -0.05 -4.98 105.19 109.21 1mff n GLY 31 Ca -0.04 -0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.64 1mff n GLY 31 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1mff s LYS 32 N -0.06 3.80 0.61 1.61 -0.14 -1.22 -5.05 119.74 119.29 1mff s LYS 32 Ca 0.00 0.23 -0.19 0.00 -1.36 0.00 0.00 55.97 54.65 1mff s LYS 32 Cb 0.00 -2.82 -0.02 0.00 -1.68 0.00 0.00 37.83 33.31 1mff s LYS 32 CO 0.00 0.43 1.31 -1.25 -0.76 0.00 0.00 175.35 175.08 1mff s PRO 33 N -2.41 2.76 0.56 -1.68 0.04 -1.26 -4.44 135.00 128.56 1mff s PRO 33 Ca 0.41 2.10 0.23 0.00 0.04 0.00 0.00 61.00 63.79 1mff s PRO 33 Cb -0.13 -1.98 1.53 0.00 0.04 0.00 0.00 34.50 33.97 1mff s PRO 33 CO 0.21 -1.45 2.17 0.00 0.04 0.00 0.00 177.00 177.97 1mff h ALA 34 N 0.85 1.84 -0.64 8.56 0.00 -1.93 -1.39 119.26 126.56 1mff h ALA 34 Ca -0.51 -0.00 0.12 0.00 0.00 0.00 0.00 54.91 54.52 1mff h ALA 34 Cb 1.32 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 19.08 1mff h ALA 34 CO 0.54 -0.09 0.43 0.37 0.00 0.00 0.00 179.25 180.51 1mff h GLN 35 N 0.00 0.35 -0.66 0.00 4.15 -1.99 -1.90 115.11 115.05 1mff h GLN 35 Ca 0.03 -0.02 0.00 0.00 0.77 0.00 0.00 58.65 59.43 1mff h GLN 35 Cb 0.14 -0.08 0.00 0.00 0.21 0.00 0.00 27.48 27.75 1mff h GLN 35 CO -0.00 0.23 0.00 0.66 -1.93 0.00 0.00 178.83 177.79 1mff n TYR 36 N -4.46 1.54 -3.93 3.99 4.01 -0.52 -4.94 117.16 112.84 1mff n TYR 36 Ca 0.11 -0.61 -0.35 0.00 -0.16 0.00 0.00 57.90 56.90 1mff n TYR 36 Cb 0.45 -0.26 -0.09 0.00 -0.31 0.00 0.00 39.34 39.12 1mff n TYR 36 CO 0.00 0.00 0.00 0.42 -0.46 0.00 0.00 176.86 176.82 1mff s ILE 37 N -1.91 4.96 -0.05 -0.72 1.01 -0.72 -1.86 121.20 121.91 1mff s ILE 37 Ca 0.51 0.03 0.06 0.00 0.00 0.00 0.00 60.65 61.25 1mff s ILE 37 Cb 0.34 -3.24 -0.01 0.00 0.01 0.00 0.00 42.46 39.55 1mff s ILE 37 CO 0.24 0.46 -0.24 0.00 0.00 0.00 0.00 174.94 175.40 1mff s ALA 38 N 0.33 2.06 -0.04 9.38 0.00 -0.63 -5.00 121.76 127.86 1mff s ALA 38 Ca 0.05 -1.00 0.04 0.00 0.00 0.00 0.00 51.96 51.04 1mff s ALA 38 Cb -0.12 -0.63 -0.00 0.00 0.00 0.00 0.00 23.12 22.37 1mff s ALA 38 CO -0.00 0.41 -0.16 0.08 0.00 0.00 0.00 175.76 176.08 1mff s VAL 39 N -0.20 1.36 -0.07 0.00 1.01 -1.26 -1.02 120.40 120.22 1mff s VAL 39 Ca -0.02 -0.68 -0.01 0.00 0.00 0.00 0.00 61.98 61.27 1mff s VAL 39 Cb -0.13 -1.17 0.03 0.00 0.00 0.00 0.00 36.38 35.11 1mff s VAL 39 CO 0.03 0.39 0.01 -2.28 0.00 0.00 0.00 175.10 173.25 1mff s HIS 40 N 0.04 0.62 -0.12 5.22 2.46 -0.24 -4.98 115.29 118.30 1mff s HIS 40 Ca -0.03 -0.13 0.03 0.00 0.47 0.00 0.00 55.06 55.39 1mff s HIS 40 Cb -0.11 -0.77 0.00 0.00 -0.13 0.00 0.00 32.58 31.57 1mff s HIS 40 CO 0.02 -0.32 -0.21 0.08 -2.47 0.00 0.00 174.74 171.84 1mff s VAL 41 N 1.98 2.25 -0.37 0.89 1.01 -1.26 -0.26 120.40 124.64 1mff s VAL 41 Ca 0.05 -0.94 0.02 0.00 0.00 0.00 0.00 61.98 61.11 1mff s VAL 41 Cb -0.12 -1.89 0.11 0.00 0.00 0.00 0.00 36.38 34.48 1mff s VAL 41 CO -0.05 0.55 0.13 -0.69 0.00 0.00 0.00 175.10 175.03 1mff s VAL 42 N 0.50 1.64 0.76 2.92 1.01 0.78 -4.95 120.40 123.05 1mff s VAL 42 Ca -0.14 -2.15 -0.03 0.00 0.00 0.00 0.00 61.98 59.66 1mff s VAL 42 Cb -0.17 -2.20 0.14 0.00 0.00 0.00 0.00 36.38 34.16 1mff s VAL 42 CO 0.05 -0.71 1.05 -2.16 0.00 0.00 0.00 175.10 173.34 1mff s PRO 43 N 0.93 1.47 -1.45 2.72 0.04 -1.26 -1.21 135.00 136.24 1mff s PRO 43 Ca 0.12 -1.06 -0.00 0.00 0.04 0.00 0.00 61.00 60.10 1mff s PRO 43 Cb -0.20 -2.26 0.00 0.00 0.04 0.00 0.00 34.50 32.08 1mff s PRO 43 CO -0.12 -1.63 0.06 -0.25 0.04 0.00 0.00 177.00 175.10 1mff n ASP 44 N -2.99 -5.08 -4.89 6.66 8.00 -0.00 -4.83 116.55 113.42 1mff n ASP 44 Ca 0.16 -0.04 -0.29 0.00 0.71 0.00 0.00 54.79 55.32 1mff n ASP 44 Cb 0.60 -4.14 -0.03 0.00 -0.02 0.00 0.00 41.12 37.53 1mff n ASP 44 CO 0.00 0.00 0.00 -1.10 -0.39 0.00 0.00 177.20 175.71 1mff s GLN 45 N -4.93 3.69 -0.65 -1.24 -1.52 -0.56 -4.96 119.66 109.49 1mff s GLN 45 Ca 0.03 0.23 -0.21 0.00 -1.95 0.00 0.00 55.36 53.46 1mff s GLN 45 Cb -0.01 -2.51 0.08 0.00 -0.22 0.00 0.00 33.01 30.35 1mff s GLN 45 CO 0.04 0.07 0.89 -1.17 -0.25 0.00 0.00 175.29 174.87 1mff s LEU 46 N -3.77 4.74 0.04 2.90 2.96 -1.26 -4.08 118.68 120.21 1mff s LEU 46 Ca 0.47 -1.19 -0.16 0.00 -0.22 0.00 0.00 54.13 53.03 1mff s LEU 46 Cb -0.10 -2.38 0.03 0.00 0.50 0.00 0.00 46.19 44.23 1mff s LEU 46 CO 0.31 -1.32 0.36 0.00 -1.32 0.00 0.00 176.35 174.39 1mff s MET 47 N 3.55 0.86 0.07 1.98 0.23 -1.26 -5.07 119.30 119.66 1mff s MET 47 Ca 0.19 -0.41 0.06 0.00 -1.03 0.00 0.00 55.69 54.50 1mff s MET 47 Cb -0.18 0.38 -0.03 0.00 -1.53 0.00 0.00 34.83 33.47 1mff s MET 47 CO 0.08 -0.28 -0.15 0.95 -2.03 0.00 0.00 175.02 173.58 1mff s THR 48 N -2.43 1.20 -0.09 3.16 -4.23 -1.26 -4.68 115.64 107.32 1mff s THR 48 Ca -0.06 -1.27 0.00 0.00 -1.18 0.00 0.00 61.69 59.18 1mff s THR 48 Cb -0.01 -1.13 0.02 0.00 1.34 0.00 0.00 72.50 72.72 1mff s THR 48 CO -0.02 -0.15 -0.06 0.12 -0.54 0.00 0.00 174.62 173.97 1mff s PHE 49 N -1.16 1.18 -1.53 3.99 2.19 -0.63 -4.73 117.98 117.28 1mff s PHE 49 Ca 0.00 -0.49 0.00 0.00 0.33 0.00 0.00 56.93 56.77 1mff s PHE 49 Cb -0.10 -1.02 0.00 0.00 -1.31 0.00 0.00 43.02 40.59 1mff s PHE 49 CO 0.02 -0.39 0.00 0.43 1.83 0.00 0.00 175.22 177.12 1mff n SER 50 N 4.68 -5.03 0.00 6.13 7.64 -1.26 -2.13 113.62 123.65 1mff n SER 50 Ca -0.15 0.07 0.00 0.00 1.01 0.00 0.00 58.87 59.80 1mff n SER 50 Cb 0.50 -4.11 0.00 0.00 -1.01 0.00 0.00 64.21 59.59 1mff n SER 50 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1mff n GLY 51 N -0.99 1.39 3.57 0.23 0.00 -1.26 -5.02 105.19 103.12 1mff n GLY 51 Ca -0.20 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.58 1mff n GLY 51 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1mff s THR 52 N -3.49 2.59 -0.36 2.61 -4.23 -0.90 -5.02 115.64 106.82 1mff s THR 52 Ca 0.00 -2.14 0.08 0.00 -1.18 0.00 0.00 61.69 58.45 1mff s THR 52 Cb 0.00 -2.64 0.66 0.00 1.34 0.00 0.00 72.50 71.86 1mff s THR 52 CO 0.00 -0.27 1.77 -0.46 -0.54 0.00 0.00 174.62 175.12 1mff n ASN 53 N -0.82 3.87 -4.68 3.99 0.23 -1.26 -1.61 115.26 114.97 1mff n ASN 53 Ca -0.05 -3.49 -0.30 0.00 -0.53 0.00 0.00 54.58 50.21 1mff n ASN 53 Cb 0.62 -0.75 0.15 0.00 -2.08 0.00 0.00 39.78 37.71 1mff n ASN 53 CO 0.00 0.00 0.00 -1.81 -0.93 0.00 0.00 177.26 174.52 1mff s ASP 54 N -1.49 3.17 0.13 0.53 1.01 -1.26 -4.88 116.67 113.88 1mff s ASP 54 Ca 0.53 1.79 -0.35 0.00 0.71 0.00 0.00 52.55 55.23 1mff s ASP 54 Cb 0.45 -2.39 -0.15 0.00 1.01 0.00 0.00 42.92 41.83 1mff s ASP 54 CO 0.10 -2.87 1.42 -2.65 0.21 0.00 0.00 175.17 171.38 1mff n PRO 55 N -4.06 1.61 -4.01 8.23 -0.02 -1.26 -4.81 135.00 130.69 1mff n PRO 55 Ca 0.08 0.58 -0.10 0.00 -2.02 0.00 0.00 63.50 62.04 1mff n PRO 55 Cb 0.54 -2.26 -0.04 0.00 -0.02 0.00 0.00 33.50 31.71 1mff n PRO 55 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1mff s ALA 57 N -3.67 -1.25 -0.20 0.00 0.00 -0.33 -3.43 121.76 112.88 1mff s ALA 57 Ca 0.24 1.21 0.01 0.00 0.00 0.00 0.00 51.96 53.42 1mff s ALA 57 Cb -0.01 -0.54 0.03 0.00 0.00 0.00 0.00 23.12 22.61 1mff s ALA 57 CO 0.12 -0.26 -0.16 -0.51 0.00 0.00 0.00 175.76 174.94 1mff s LEU 58 N -0.25 2.42 0.21 0.00 1.43 0.03 -1.84 118.68 120.68 1mff s LEU 58 Ca -0.04 -0.84 0.09 0.00 -1.03 0.00 0.00 54.13 52.31 1mff s LEU 58 Cb -0.03 -1.45 -0.05 0.00 0.03 0.00 0.00 46.19 44.69 1mff s LEU 58 CO 0.03 -0.06 -0.17 0.00 0.23 0.00 0.00 176.35 176.37 1mff s SER 60 N -3.19 0.45 -0.13 0.00 0.01 -0.61 -0.25 113.70 109.98 1mff s SER 60 Ca 0.23 -0.06 0.01 0.00 1.31 0.00 0.00 55.95 57.44 1mff s SER 60 Cb -0.03 -0.08 0.02 0.00 0.21 0.00 0.00 66.02 66.13 1mff s SER 60 CO 0.09 0.02 -0.17 -0.22 0.41 0.00 0.00 173.24 173.38 1mff s LEU 61 N 0.09 1.83 -0.15 2.44 2.96 -0.24 -1.28 118.68 124.33 1mff s LEU 61 Ca -0.01 -0.51 -0.04 0.00 -0.22 0.00 0.00 54.13 53.36 1mff s LEU 61 Cb -0.03 -1.23 -0.03 0.00 0.50 0.00 0.00 46.19 45.39 1mff s LEU 61 CO -0.00 0.01 -0.02 -1.00 -1.32 0.00 0.00 176.35 174.01 1mff s HIS 62 N 1.13 3.06 0.04 5.38 3.76 -0.22 -1.32 115.29 127.13 1mff s HIS 62 Ca -0.02 -0.21 -0.12 0.00 -0.15 0.00 0.00 55.06 54.56 1mff s HIS 62 Cb -0.14 -1.96 0.01 0.00 1.11 0.00 0.00 32.58 31.60 1mff s HIS 62 CO -0.06 0.03 0.26 0.45 -0.85 0.00 0.00 174.74 174.57 1mff s SER 63 N 0.27 -0.06 -0.78 1.40 0.15 -0.66 -0.75 113.70 113.27 1mff s SER 63 Ca -0.02 -0.26 -0.20 0.00 0.70 0.00 0.00 55.95 56.17 1mff s SER 63 Cb -0.14 0.33 0.10 0.00 -1.71 0.00 0.00 66.02 64.60 1mff s SER 63 CO 0.02 -0.59 1.02 -0.63 1.20 0.00 0.00 173.24 174.26 1mff s ILE 64 N -2.52 4.57 0.04 6.45 1.01 -1.26 -0.69 121.20 128.80 1mff s ILE 64 Ca -0.05 -1.01 0.00 0.00 0.00 0.00 0.00 60.65 59.59 1mff s ILE 64 Cb -0.01 -4.71 0.00 0.00 0.01 0.00 0.00 42.46 37.75 1mff s ILE 64 CO -0.03 -1.45 0.00 0.61 0.00 0.00 0.00 174.94 174.07 1mff n GLY 65 N 5.41 -2.22 2.31 6.18 0.00 -1.26 -4.95 105.19 110.65 1mff n GLY 65 Ca 0.09 -1.49 -0.12 0.00 0.00 0.00 0.00 46.02 44.49 1mff n GLY 65 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1mff n LYS 66 N -1.35 -0.91 -5.14 1.61 4.76 -1.26 -4.95 118.16 110.92 1mff n LYS 66 Ca 0.00 0.80 -0.32 0.00 -2.87 0.00 0.00 58.31 55.92 1mff n LYS 66 Cb 0.07 -4.89 -0.16 0.00 -1.84 0.00 0.00 35.03 28.22 1mff n LYS 66 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 1mff s ILE 67 N -2.53 2.33 -0.07 -0.18 -1.09 -1.26 -4.86 121.20 113.54 1mff s ILE 67 Ca 0.00 -0.96 -0.32 0.00 -2.23 0.00 0.00 60.65 57.14 1mff s ILE 67 Cb 0.00 -1.88 0.13 0.00 -1.58 0.00 0.00 42.46 39.13 1mff s ILE 67 CO 0.00 0.57 1.30 -0.83 -1.23 0.00 0.00 174.94 174.75 1mff s GLY 68 N -0.12 -0.40 0.11 6.18 0.00 -1.26 -4.99 107.32 106.85 1mff s GLY 68 Ca -0.04 0.96 -0.24 0.00 0.00 0.00 0.00 44.72 45.40 1mff s GLY 68 CO 0.04 0.23 1.69 -1.33 0.00 0.00 0.00 173.10 173.73 1mff h GLY 69 N 2.00 -0.16 1.32 0.20 0.00 -1.99 0.28 103.07 104.73 1mff h GLY 69 Ca -0.26 0.14 -0.21 0.00 0.00 0.00 0.00 47.33 47.01 1mff h GLY 69 CO 0.27 -0.12 -0.74 0.00 0.00 0.00 0.00 176.54 175.95 1mff h ALA 70 N 0.74 0.43 -0.63 3.60 0.00 -2.00 -2.68 119.26 118.71 1mff h ALA 70 Ca 0.04 -0.59 -0.03 0.00 0.00 0.00 0.00 54.91 54.33 1mff h ALA 70 Cb 0.26 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 17.99 1mff h ALA 70 CO -0.11 0.71 0.28 1.96 0.00 0.00 0.00 179.25 182.09 1mff h GLN 71 N 0.46 0.93 -0.58 0.00 7.50 -1.90 -2.67 115.11 118.85 1mff h GLN 71 Ca -0.04 -0.15 -0.03 0.00 0.50 0.00 0.00 58.65 58.93 1mff h GLN 71 Cb 1.35 -0.16 -0.03 0.00 0.05 0.00 0.00 27.48 28.69 1mff h GLN 71 CO 0.15 0.76 0.24 -0.91 -1.50 0.00 0.00 178.83 177.57 1mff h ASN 72 N 0.88 0.75 -0.39 1.46 2.35 -0.38 0.50 115.58 120.75 1mff h ASN 72 Ca 0.21 -0.09 -0.07 0.00 -0.55 0.00 0.00 56.30 55.81 1mff h ASN 72 Cb 0.16 -0.19 -0.02 0.00 0.05 0.00 0.00 38.32 38.31 1mff h ASN 72 CO -0.02 0.67 0.02 0.03 -1.65 0.00 0.00 177.43 176.48 1mff h ARG 73 N 0.82 0.77 -0.18 0.81 3.08 -1.17 -1.13 114.38 117.37 1mff h ARG 73 Ca 0.20 -0.19 -0.12 0.00 0.07 0.00 0.00 59.98 59.93 1mff h ARG 73 Cb 0.14 -0.10 0.00 0.00 0.08 0.00 0.00 29.97 30.10 1mff h ARG 73 CO -0.02 0.76 -0.37 -0.97 -1.07 0.00 0.00 179.97 178.30 1mff h ASN 74 N 0.72 0.64 -0.69 7.04 -1.24 -0.99 -1.83 115.58 119.24 1mff h ASN 74 Ca 0.15 -0.55 0.04 0.00 0.71 0.00 0.00 56.30 56.64 1mff h ASN 74 Cb 0.41 -0.18 -0.05 0.00 0.73 0.00 0.00 38.32 39.23 1mff h ASN 74 CO 0.02 1.07 0.42 1.88 -1.29 0.00 0.00 177.43 179.53 1mff h TYR 75 N 0.23 0.78 -0.65 0.67 0.05 -0.88 -1.63 116.97 115.54 1mff h TYR 75 Ca 0.01 0.02 -0.02 0.00 0.05 0.00 0.00 58.73 58.79 1mff h TYR 75 Cb 0.97 -0.25 -0.03 0.00 1.01 0.00 0.00 36.73 38.42 1mff h TYR 75 CO 0.09 0.43 0.32 0.77 -1.05 0.00 0.00 178.16 178.73 1mff h SER 76 N 0.81 0.84 0.22 3.88 0.02 -1.08 0.73 113.55 118.97 1mff h SER 76 Ca 0.28 -0.12 -0.01 0.00 -0.84 0.00 0.00 61.79 61.10 1mff h SER 76 Cb 0.06 -0.21 0.00 0.00 0.14 0.00 0.00 62.40 62.39 1mff h SER 76 CO -0.13 0.72 -0.11 0.50 -1.14 0.00 0.00 176.83 176.68 1mff h LYS 77 N 0.89 -0.29 0.22 3.45 3.64 -0.63 -1.81 116.57 122.05 1mff h LYS 77 Ca 0.22 0.02 0.01 0.00 -1.27 0.00 0.00 60.65 59.63 1mff h LYS 77 Cb 0.10 0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 31.96 1mff h LYS 77 CO -0.03 -0.06 -0.26 1.25 -2.27 0.00 0.00 179.45 178.08 1mff h LEU 78 N -0.48 -0.72 -0.55 5.20 5.85 -1.20 -2.14 115.31 121.26 1mff h LEU 78 Ca -0.03 0.07 -0.02 0.00 0.84 0.00 0.00 57.88 58.74 1mff h LEU 78 Cb 0.36 0.26 -0.03 0.00 0.37 0.00 0.00 40.66 41.62 1mff h LEU 78 CO 0.05 -0.38 0.28 -0.07 -0.34 0.00 0.00 178.44 177.99 1mff h LEU 79 N -0.54 0.71 -1.12 2.25 4.07 -0.89 -1.48 115.31 118.31 1mff h LEU 79 Ca 0.00 -0.12 -0.09 0.00 0.08 0.00 0.00 57.88 57.76 1mff h LEU 79 Cb 0.51 -0.18 -0.01 0.00 1.08 0.00 0.00 40.66 42.06 1mff h LEU 79 CO -0.08 0.63 -0.32 0.00 -1.08 0.00 0.00 178.44 177.58 1mff h GLY 81 N 1.07 1.00 1.08 0.00 0.00 -1.08 -0.11 103.07 105.02 1mff h GLY 81 Ca 0.02 -0.82 -0.11 0.00 0.00 0.00 0.00 47.33 46.42 1mff h GLY 81 CO 0.05 0.75 -0.08 1.41 0.00 0.00 0.00 176.54 178.67 1mff h LEU 82 N 0.77 1.01 -0.40 3.11 4.07 -0.91 -0.87 115.31 122.09 1mff h LEU 82 Ca 0.12 -0.34 -0.06 0.00 0.08 0.00 0.00 57.88 57.68 1mff h LEU 82 Cb 0.67 -0.27 -0.01 0.00 1.08 0.00 0.00 40.66 42.12 1mff h LEU 82 CO 0.05 1.11 -0.00 -0.07 -1.08 0.00 0.00 178.44 178.45 1mff h LEU 83 N 0.89 0.70 0.04 1.67 3.38 -1.00 -1.63 115.31 119.35 1mff h LEU 83 Ca 0.14 -0.31 -0.00 0.00 0.09 0.00 0.00 57.88 57.80 1mff h LEU 83 Cb 0.64 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 41.21 1mff h LEU 83 CO 0.04 0.83 -0.02 -1.28 0.09 0.00 0.00 178.44 178.11 1mff h SER 84 N 0.54 -0.04 -0.43 -0.43 0.87 -0.96 0.25 113.55 113.35 1mff h SER 84 Ca 0.11 -0.09 -0.08 0.00 -1.23 0.00 0.00 61.79 60.51 1mff h SER 84 Cb 0.48 0.01 -0.01 0.00 -0.44 0.00 0.00 62.40 62.43 1mff h SER 84 CO 0.02 0.06 -0.04 0.44 -0.53 0.00 0.00 176.83 176.78 1mff h ASP 85 N -0.14 0.79 0.16 6.23 3.32 -1.08 -0.75 116.42 124.94 1mff h ASP 85 Ca -0.00 -0.33 -0.36 0.00 0.02 0.00 0.00 57.03 56.35 1mff h ASP 85 Cb 0.12 -0.21 -0.02 0.00 0.22 0.00 0.00 39.33 39.44 1mff h ASP 85 CO 0.01 0.93 -1.96 0.03 -1.72 0.00 0.00 179.24 176.53 1mff h ARG 86 N 0.63 0.26 -0.01 3.56 2.47 -1.34 -3.38 114.38 116.56 1mff h ARG 86 Ca 0.12 -0.44 0.00 0.00 -1.26 0.00 0.00 59.98 58.40 1mff h ARG 86 Cb 0.55 0.16 0.00 0.00 -1.65 0.00 0.00 29.97 29.04 1mff h ARG 86 CO 0.03 1.17 -0.06 1.28 0.56 0.00 0.00 179.97 182.96 1mff n LEU 87 N -3.46 1.64 -3.67 3.04 4.77 0.81 -4.75 117.00 115.38 1mff n LEU 87 Ca -0.30 -0.93 -0.25 0.00 -0.03 0.00 0.00 56.01 54.49 1mff n LEU 87 Cb 1.05 0.00 0.06 0.00 -2.33 0.00 0.00 43.42 42.20 1mff n LEU 87 CO 0.44 0.32 0.19 1.41 -1.33 0.00 0.00 177.39 178.42 1mff n HIS 88 N 0.32 -2.65 -3.92 -1.77 8.25 -0.29 -4.94 115.22 110.23 1mff n HIS 88 Ca 0.05 0.98 -0.35 0.00 -0.26 0.00 0.00 57.72 58.14 1mff n HIS 88 Cb 0.24 -4.74 -0.09 0.00 1.12 0.00 0.00 29.99 26.52 1mff n HIS 88 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 1mff s ILE 89 N -3.33 5.08 0.39 1.59 1.01 -1.18 -4.95 121.20 119.82 1mff s ILE 89 Ca 0.54 0.06 -0.26 0.00 0.00 0.00 0.00 60.65 60.99 1mff s ILE 89 Cb -0.25 -3.28 -0.09 0.00 0.01 0.00 0.00 42.46 38.86 1mff s ILE 89 CO 0.76 0.49 1.28 -0.55 0.00 0.00 0.00 174.94 176.92 1mff s SER 90 N 0.05 6.42 0.58 3.58 0.15 -1.26 -3.67 113.70 119.55 1mff s SER 90 Ca 0.07 2.61 0.34 0.00 0.70 0.00 0.00 55.95 59.67 1mff s SER 90 Cb -0.12 -2.64 1.79 0.00 -1.71 0.00 0.00 66.02 63.35 1mff s SER 90 CO 0.00 -0.77 2.18 1.55 1.20 0.00 0.00 173.24 177.40 1mff h PRO 91 N 2.79 0.00 -0.01 5.44 0.13 -1.96 0.75 132.00 139.14 1mff h PRO 91 Ca -0.49 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 1mff h PRO 91 Cb 1.24 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.37 1mff h PRO 91 CO 0.63 0.05 -0.03 -0.40 -0.23 0.00 0.00 178.00 178.02 1mff n ASP 92 N -3.42 0.75 -1.24 1.44 5.75 -1.26 -3.12 116.55 115.45 1mff n ASP 92 Ca -0.02 -1.12 -0.05 0.00 -0.01 0.00 0.00 54.79 53.60 1mff n ASP 92 Cb 0.17 -0.01 0.21 0.00 -1.03 0.00 0.00 41.12 40.46 1mff n ASP 92 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 1mff n ARG 93 N -0.49 2.04 -4.92 0.11 1.74 0.26 -4.99 116.66 110.41 1mff n ARG 93 Ca 0.20 -3.13 -0.29 0.00 -0.77 0.00 0.00 57.85 53.86 1mff n ARG 93 Cb 0.25 -1.86 -0.17 0.00 -1.02 0.00 0.00 32.46 29.66 1mff n ARG 93 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1mff s VAL 94 N -3.20 1.70 -0.05 1.55 1.01 -1.18 -1.19 120.40 119.04 1mff s VAL 94 Ca 0.46 -0.80 0.00 0.00 0.00 0.00 0.00 61.98 61.64 1mff s VAL 94 Cb 0.41 -1.49 -0.03 0.00 0.00 0.00 0.00 36.38 35.26 1mff s VAL 94 CO 0.02 0.48 -0.03 -0.36 0.00 0.00 0.00 175.10 175.21 1mff s PHE 95 N 0.52 3.04 -0.17 5.22 0.08 -0.77 -4.97 117.98 120.92 1mff s PHE 95 Ca -0.16 0.09 0.00 0.00 0.12 0.00 0.00 56.93 56.98 1mff s PHE 95 Cb -0.17 -1.72 0.03 0.00 -0.57 0.00 0.00 43.02 40.60 1mff s PHE 95 CO 0.06 0.41 -0.11 0.42 -0.10 0.00 0.00 175.22 175.90 1mff s ILE 96 N -0.91 1.54 -0.04 0.64 1.01 -1.26 -0.73 121.20 121.44 1mff s ILE 96 Ca 0.15 -0.79 -0.19 0.00 0.00 0.00 0.00 60.65 59.82 1mff s ILE 96 Cb -0.11 -1.55 -0.05 0.00 0.01 0.00 0.00 42.46 40.76 1mff s ILE 96 CO 0.04 0.29 0.53 0.20 0.00 0.00 0.00 174.94 176.00 1mff s ASN 97 N 1.47 6.85 -0.12 3.58 0.01 0.66 -4.96 114.94 122.43 1mff s ASN 97 Ca 0.02 1.01 -0.01 0.00 -0.71 0.00 0.00 52.86 53.17 1mff s ASN 97 Cb -0.15 -2.32 -0.03 0.00 0.41 0.00 0.00 41.25 39.17 1mff s ASN 97 CO -0.09 0.10 -0.07 -0.31 -1.51 0.00 0.00 177.10 175.22 1mff s TYR 98 N -0.05 2.94 -0.11 2.20 2.02 -1.26 -1.08 117.35 122.01 1mff s TYR 98 Ca 0.28 -0.27 0.00 0.00 -0.37 0.00 0.00 57.07 56.72 1mff s TYR 98 Cb -0.17 -1.84 0.02 0.00 -0.40 0.00 0.00 41.96 39.57 1mff s TYR 98 CO 0.14 0.05 -0.10 0.71 -1.57 0.00 0.00 175.55 174.78 1mff s TYR 99 N -0.06 1.67 -0.34 2.71 2.02 -0.43 -4.98 117.35 117.95 1mff s TYR 99 Ca 0.00 -0.83 -0.20 0.00 -0.37 0.00 0.00 57.07 55.66 1mff s TYR 99 Cb -0.13 -1.31 -0.00 0.00 -0.40 0.00 0.00 41.96 40.12 1mff s TYR 99 CO 0.03 -0.51 0.64 0.34 -1.57 0.00 0.00 175.55 174.47 1mff s ASP 100 N 1.47 6.46 0.03 2.29 -1.08 -1.26 -1.66 116.67 122.91 1mff s ASP 100 Ca 0.02 0.27 -0.16 0.00 -0.52 0.00 0.00 52.55 52.16 1mff s ASP 100 Cb -0.13 -2.33 -0.06 0.00 -1.46 0.00 0.00 42.92 38.94 1mff s ASP 100 CO -0.07 -0.55 0.46 -0.04 0.52 0.00 0.00 175.17 175.49 1mff s MET 101 N 2.68 3.99 0.47 4.34 -1.94 0.14 -4.92 119.30 124.05 1mff s MET 101 Ca 0.25 0.49 -0.22 0.00 -1.71 0.00 0.00 55.69 54.51 1mff s MET 101 Cb -0.15 -3.21 -0.08 0.00 2.01 0.00 0.00 34.83 33.41 1mff s MET 101 CO 0.14 0.67 1.07 1.21 -0.01 0.00 0.00 175.02 178.10 1mff s ASN 102 N -1.14 6.35 0.40 3.03 3.84 -1.26 -4.19 114.94 121.97 1mff s ASN 102 Ca 0.26 2.05 0.11 0.00 0.21 0.00 0.00 52.86 55.50 1mff s ASN 102 Cb -0.17 -2.58 0.93 0.00 -0.55 0.00 0.00 41.25 38.88 1mff s ASN 102 CO 0.15 -0.78 1.94 0.00 -2.79 0.00 0.00 177.10 175.62 1mff h ALA 103 N 1.85 1.93 0.00 1.71 0.00 -1.94 0.41 119.26 123.21 1mff h ALA 103 Ca -0.49 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.41 1mff h ALA 103 Cb 1.23 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.91 1mff h ALA 103 CO 0.60 -0.10 0.00 0.00 0.00 0.00 0.00 179.25 179.75 1mff h ALA 104 N 1.64 1.00 -0.55 0.00 0.00 -1.92 -2.92 119.26 116.51 1mff h ALA 104 Ca 0.34 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.25 1mff h ALA 104 Cb 0.58 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.37 1mff h ALA 104 CO -0.12 0.00 0.00 0.09 0.00 0.00 0.00 179.25 179.22 1mff n ASN 105 N -2.42 4.77 -3.96 0.00 5.03 0.13 -4.87 115.26 113.94 1mff n ASN 105 Ca 0.02 -2.63 -0.29 0.00 0.87 0.00 0.00 54.58 52.55 1mff n ASN 105 Cb 0.23 -0.58 -0.17 0.00 -1.02 0.00 0.00 39.78 38.25 1mff n ASN 105 CO 0.00 0.00 0.00 -0.69 -1.83 0.00 0.00 177.26 174.74 1mff s VAL 106 N -2.17 1.35 0.05 2.41 1.01 -1.16 -4.91 120.40 116.98 1mff s VAL 106 Ca 0.49 -0.56 -0.10 0.00 0.00 0.00 0.00 61.98 61.81 1mff s VAL 106 Cb 0.34 -1.34 -0.06 0.00 0.00 0.00 0.00 36.38 35.33 1mff s VAL 106 CO 0.19 0.36 0.37 -0.83 0.00 0.00 0.00 175.10 175.19 1mff s GLY 107 N 1.57 2.34 -0.27 4.51 0.00 -1.26 -2.67 107.32 111.53 1mff s GLY 107 Ca 0.04 -0.40 -0.22 0.00 0.00 0.00 0.00 44.72 44.14 1mff s GLY 107 CO -0.09 -0.16 0.74 0.86 0.00 0.00 0.00 173.10 174.45 1mff s TRP 108 N -1.32 -0.83 -1.47 1.90 -0.00 -0.18 -4.97 118.94 112.06 1mff s TRP 108 Ca 0.30 1.90 -0.11 0.00 -0.00 0.00 0.00 56.10 58.19 1mff s TRP 108 Cb -0.14 0.38 0.06 0.00 -0.00 0.00 0.00 33.47 33.77 1mff s TRP 108 CO 0.17 -0.40 0.97 -1.71 -0.00 0.00 0.00 176.95 175.97 1mff n ASN 109 N 3.11 -4.43 -0.19 5.86 5.15 -1.26 -1.60 115.26 121.90 1mff n ASN 109 Ca -0.16 -0.75 -0.02 0.00 -0.60 0.00 0.00 54.58 53.05 1mff n ASN 109 Cb 0.56 -4.08 -0.01 0.00 -0.53 0.00 0.00 39.78 35.72 1mff n ASN 109 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1mff n GLY 110 N -1.71 0.57 0.00 8.20 0.00 -1.26 -4.95 105.19 106.03 1mff n GLY 110 Ca -0.02 -0.44 0.00 0.00 0.00 0.00 0.00 46.02 45.56 1mff n GLY 110 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1mff n SER 111 N 0.54 0.00 -4.44 1.61 2.88 -0.63 -5.18 113.62 108.41 1mff n SER 111 Ca -0.02 -0.05 -0.24 0.00 -1.33 0.00 0.00 58.87 57.23 1mff n SER 111 Cb 0.13 0.00 -0.10 0.00 -0.75 0.00 0.00 64.21 63.49 1mff n SER 111 CO 0.00 0.00 0.00 0.42 -1.23 0.00 0.00 175.04 174.23 1mff s THR 112 N -2.97 1.18 -1.27 2.46 -4.23 -1.26 -1.01 115.64 108.54 1mff s THR 112 Ca 0.00 -2.00 0.29 0.00 -1.18 0.00 0.00 61.69 58.80 1mff s THR 112 Cb 0.00 -2.71 0.38 0.00 1.34 0.00 0.00 72.50 71.51 1mff s THR 112 CO 0.00 0.00 1.94 0.49 -0.54 0.00 0.00 174.62 176.51 1mff n PHE 113 N -0.79 0.00 1.98 3.99 3.72 -1.09 -4.88 117.46 120.40 1mff n PHE 113 Ca -0.04 0.00 0.16 0.00 -0.05 0.00 0.00 57.45 57.52 1mff n PHE 113 Cb 0.66 -0.35 0.93 0.00 -0.94 0.00 0.00 39.48 39.79 1mff n PHE 113 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71