#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 0.24 -0.11 -0.52 0.23 0.37 -1.42 119.30 118.10 1mff s MET 2 Ca 0.00 0.34 0.01 0.00 -1.03 0.00 0.00 55.69 55.01 1mff s MET 2 Cb 0.00 0.07 0.02 0.00 -1.53 0.00 0.00 34.83 33.39 1mff s MET 2 CO 0.00 -0.06 -0.12 0.12 -2.03 0.00 0.00 175.02 172.94 1mff s PHE 3 N 0.36 1.70 -0.11 3.16 5.36 -0.45 -1.28 117.98 126.74 1mff s PHE 3 Ca -0.02 -0.81 0.04 0.00 -0.96 0.00 0.00 56.93 55.18 1mff s PHE 3 Cb -0.03 -1.30 0.00 0.00 -0.34 0.00 0.00 43.02 41.35 1mff s PHE 3 CO -0.02 -0.47 -0.23 0.42 -1.46 0.00 0.00 175.22 173.46 1mff s ILE 4 N 1.25 2.09 -0.18 3.12 1.01 -0.55 -1.15 121.20 126.79 1mff s ILE 4 Ca -0.03 -1.00 0.01 0.00 0.00 0.00 0.00 60.65 59.63 1mff s ILE 4 Cb -0.14 -1.80 0.02 0.00 0.01 0.00 0.00 42.46 40.55 1mff s ILE 4 CO -0.04 0.56 -0.18 -0.69 0.00 0.00 0.00 174.94 174.59 1mff s VAL 5 N 0.40 1.94 -0.19 2.92 1.01 0.13 -1.44 120.40 125.17 1mff s VAL 5 Ca -0.17 -0.89 -0.05 0.00 0.00 0.00 0.00 61.98 60.87 1mff s VAL 5 Cb -0.18 -1.78 -0.03 0.00 0.00 0.00 0.00 36.38 34.40 1mff s VAL 5 CO 0.07 0.49 0.00 0.20 0.00 0.00 0.00 175.10 175.87 1mff s ASN 6 N 1.33 4.91 0.05 3.32 -0.87 0.29 -0.32 114.94 123.66 1mff s ASN 6 Ca 0.04 -0.16 -0.11 0.00 -1.57 0.00 0.00 52.86 51.07 1mff s ASN 6 Cb -0.13 -1.83 0.01 0.00 -0.02 0.00 0.00 41.25 39.27 1mff s ASN 6 CO -0.12 0.09 0.22 0.28 -2.57 0.00 0.00 177.10 175.00 1mff s THR 7 N 0.85 0.11 -2.10 1.60 -1.32 0.30 -0.98 115.64 114.10 1mff s THR 7 Ca 0.01 -0.87 0.28 0.00 -1.21 0.00 0.00 61.69 59.90 1mff s THR 7 Cb -0.14 -0.97 0.49 0.00 -1.51 0.00 0.00 72.50 70.37 1mff s THR 7 CO 0.02 -0.48 1.76 -0.46 -2.21 0.00 0.00 174.62 173.26 1mff n ASN 8 N 0.57 1.04 -4.77 8.08 0.23 -1.23 -0.55 115.26 118.63 1mff n ASN 8 Ca -0.18 -1.12 -0.39 0.00 -0.53 0.00 0.00 54.58 52.36 1mff n ASN 8 Cb 0.59 0.02 -0.00 0.00 -2.08 0.00 0.00 39.78 38.32 1mff n ASN 8 CO 0.00 0.00 0.00 -0.69 -0.93 0.00 0.00 177.26 175.64 1mff s VAL 9 N -2.22 2.74 0.67 3.53 1.01 -1.26 -4.30 120.40 120.56 1mff s VAL 9 Ca 0.34 0.63 -0.13 0.00 0.00 0.00 0.00 61.98 62.81 1mff s VAL 9 Cb 0.20 -3.35 0.00 0.00 0.00 0.00 0.00 36.38 33.23 1mff s VAL 9 CO 0.41 0.06 1.07 -2.16 0.00 0.00 0.00 175.10 174.49 1mff s PRO 10 N -2.37 2.94 0.31 2.72 0.04 -1.26 -0.17 135.00 137.21 1mff s PRO 10 Ca 0.59 1.12 0.03 0.00 0.04 0.00 0.00 61.00 62.78 1mff s PRO 10 Cb -0.36 -1.98 0.61 0.00 0.04 0.00 0.00 34.50 32.81 1mff s PRO 10 CO 0.45 -1.11 1.89 -0.09 0.04 0.00 0.00 177.00 178.18 1mff h ARG 11 N -0.31 0.91 0.00 4.56 2.43 -1.94 -1.14 114.38 118.89 1mff h ARG 11 Ca -0.45 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 58.66 1mff h ARG 11 Cb 1.22 -0.21 0.00 0.00 -0.42 0.00 0.00 29.97 30.57 1mff h ARG 11 CO 0.56 0.60 0.00 0.00 -1.51 0.00 0.00 179.97 179.62 1mff n ALA 12 N -2.40 1.47 1.14 2.80 0.00 -1.26 -0.91 120.51 121.35 1mff n ALA 12 Ca 0.15 0.06 0.13 0.00 0.00 0.00 0.00 53.44 53.79 1mff n ALA 12 Cb 0.28 -1.29 0.38 0.00 0.00 0.00 0.00 19.45 18.83 1mff n ALA 12 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1mff n SER 13 N -1.98 0.60 -4.69 0.00 7.64 -0.43 -4.80 113.62 109.96 1mff n SER 13 Ca 0.02 -0.42 -0.42 0.00 1.01 0.00 0.00 58.87 59.06 1mff n SER 13 Cb 0.15 0.09 -0.03 0.00 -1.01 0.00 0.00 64.21 63.41 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 -2.77 4.86 0.57 0.44 1.01 -0.08 -4.80 120.40 119.63 1mff s VAL 14 Ca 0.18 1.88 -0.19 0.00 0.00 0.00 0.00 61.98 63.85 1mff s VAL 14 Cb 0.19 -4.24 -0.05 0.00 0.00 0.00 0.00 36.38 32.28 1mff s VAL 14 CO 0.59 0.07 1.15 -2.84 0.00 0.00 0.00 175.10 174.08 1mff s PRO 15 N 1.70 3.19 0.17 2.72 0.02 -1.26 -4.94 135.00 136.59 1mff s PRO 15 Ca 0.45 1.67 -0.32 0.00 0.02 0.00 0.00 61.00 62.83 1mff s PRO 15 Cb -0.18 -1.98 -0.10 0.00 0.02 0.00 0.00 34.50 32.26 1mff s PRO 15 CO 0.19 -1.00 1.64 -2.00 -0.33 0.00 0.00 177.00 175.50 1mff s GLU 16 N -3.35 4.18 0.00 5.54 2.12 -1.26 -1.61 118.70 124.32 1mff s GLU 16 Ca 0.74 2.45 0.00 0.00 0.36 0.00 0.00 54.97 58.52 1mff s GLU 16 Cb -0.26 -3.19 0.00 0.00 0.26 0.00 0.00 34.13 30.94 1mff s GLU 16 CO 0.30 -0.68 0.00 0.41 -0.54 0.00 0.00 175.26 174.75 1mff n GLY 17 N 3.87 0.65 0.29 -1.50 0.00 -1.26 -4.98 105.19 102.26 1mff n GLY 17 Ca 0.15 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.07 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 1.14 0.00 1.61 3.57 -1.67 -1.75 116.94 119.83 1mff h PHE 18 Ca 0.00 -0.22 -0.09 0.00 3.53 0.00 0.00 57.97 61.20 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 1.03 -0.42 -0.07 -2.23 0.00 0.00 178.31 176.62 1mff h LEU 19 N 0.92 0.00 -0.21 0.59 4.07 -1.94 -1.42 115.31 117.31 1mff h LEU 19 Ca 0.15 0.00 -0.20 0.00 0.08 0.00 0.00 57.88 57.91 1mff h LEU 19 Cb 0.61 0.00 0.01 0.00 1.08 0.00 0.00 40.66 42.35 1mff h LEU 19 CO 0.04 0.42 -0.65 -1.28 -1.08 0.00 0.00 178.44 175.89 1mff h SER 20 N 0.00 0.94 -0.30 -0.43 0.87 -1.92 -0.59 113.55 112.12 1mff h SER 20 Ca -0.00 -0.58 -0.02 0.00 -1.23 0.00 0.00 61.79 59.95 1mff h SER 20 Cb 0.78 -0.27 -0.01 0.00 -0.44 0.00 0.00 62.40 62.46 1mff h SER 20 CO 0.05 1.36 0.11 -0.08 -0.53 0.00 0.00 176.83 177.75 1mff h GLU 21 N 0.57 0.46 -0.87 2.24 4.81 -1.21 -1.62 114.58 118.97 1mff h GLU 21 Ca -0.02 -0.09 0.02 0.00 -0.13 0.00 0.00 59.36 59.14 1mff h GLU 21 Cb 1.27 -0.07 -0.05 0.00 0.63 0.00 0.00 28.75 30.53 1mff h GLU 21 CO 0.14 0.48 0.56 -0.07 -0.73 0.00 0.00 179.01 179.40 1mff h LEU 22 N 0.33 0.95 -0.28 1.64 3.38 -1.18 -1.26 115.31 118.90 1mff h LEU 22 Ca 0.10 -0.01 0.02 0.00 0.09 0.00 0.00 57.88 58.07 1mff h LEU 22 Cb 0.21 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.71 1mff h LEU 22 CO -0.01 0.67 0.14 0.74 0.09 0.00 0.00 178.44 180.08 1mff h THR 23 N 1.12 1.00 -0.39 0.22 2.02 -0.70 -0.14 112.91 116.04 1mff h THR 23 Ca 0.33 -0.10 -0.16 0.00 0.77 0.00 0.00 66.41 67.25 1mff h THR 23 Cb -0.05 0.67 -0.01 0.00 -1.74 0.00 0.00 68.15 67.03 1mff h THR 23 CO -0.10 0.05 -0.38 1.56 0.37 0.00 0.00 175.52 177.03 1mff h GLN 24 N 0.30 0.95 -0.69 6.66 1.08 -1.08 -1.52 115.11 120.81 1mff h GLN 24 Ca 0.11 -0.49 -0.07 0.00 -1.45 0.00 0.00 58.65 56.75 1mff h GLN 24 Cb 0.03 0.02 -0.03 0.00 -0.05 0.00 0.00 27.48 27.45 1mff h GLN 24 CO -0.07 1.15 0.14 1.96 -0.95 0.00 0.00 178.83 181.06 1mff h GLN 25 N 0.77 1.12 -0.00 1.46 1.08 -1.11 -1.97 115.11 116.45 1mff h GLN 25 Ca 0.06 -0.28 -0.12 0.00 -1.45 0.00 0.00 58.65 56.86 1mff h GLN 25 Cb 0.97 -0.14 -0.02 0.00 -0.05 0.00 0.00 27.48 28.25 1mff h GLN 25 CO 0.09 1.00 -0.59 -0.07 -0.95 0.00 0.00 178.83 178.32 1mff h LEU 26 N 1.04 0.01 0.01 1.46 3.38 -0.86 -1.30 115.31 119.06 1mff h LEU 26 Ca 0.21 -0.01 -0.00 0.00 0.09 0.00 0.00 57.88 58.18 1mff h LEU 26 Cb 0.41 -0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.15 1mff h LEU 26 CO 0.01 0.60 -0.01 0.00 0.09 0.00 0.00 178.44 179.13 1mff h ALA 27 N 1.40 -0.02 -0.50 1.53 0.00 -0.99 -0.81 119.26 119.87 1mff h ALA 27 Ca -0.01 -0.03 -0.08 0.00 0.00 0.00 0.00 54.91 54.79 1mff h ALA 27 Cb 1.04 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.82 1mff h ALA 27 CO 0.08 -0.48 -0.00 0.37 0.00 0.00 0.00 179.25 179.21 1mff h GLN 28 N -0.08 0.84 0.13 0.00 5.75 -1.28 0.20 115.11 120.67 1mff h GLN 28 Ca -0.00 -0.24 -0.28 0.00 -0.15 0.00 0.00 58.65 57.98 1mff h GLN 28 Cb 0.07 -0.09 0.01 0.00 1.07 0.00 0.00 27.48 28.54 1mff h GLN 28 CO 0.00 0.85 -1.24 0.00 -2.65 0.00 0.00 178.83 175.80 1mff h ALA 29 N 1.21 0.09 0.00 3.38 0.00 -0.98 -3.28 119.26 119.67 1mff h ALA 29 Ca 0.15 -0.86 -0.18 0.00 0.00 0.00 0.00 54.91 54.01 1mff h ALA 29 Cb 0.48 0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.26 1mff h ALA 29 CO 0.02 0.92 -1.26 1.79 0.00 0.00 0.00 179.25 180.72 1mff h THR 30 N 0.10 0.75 0.00 0.00 1.35 -1.17 -3.48 112.91 110.46 1mff h THR 30 Ca -0.14 -2.30 0.00 0.00 -0.55 0.00 0.00 66.41 63.41 1mff h THR 30 Cb 1.95 2.25 0.00 0.00 -1.73 0.00 0.00 68.15 70.62 1mff h THR 30 CO 0.21 0.42 0.00 0.61 -0.25 0.00 0.00 175.52 176.51 1mff n GLY 31 N 1.39 0.52 3.95 5.82 0.00 0.69 -4.96 105.19 112.60 1mff n GLY 31 Ca -0.08 -0.52 -0.25 0.00 0.00 0.00 0.00 46.02 45.17 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 -1.01 3.46 0.39 1.61 -0.14 -1.15 -5.02 119.74 117.88 1mff s LYS 32 Ca 0.00 -0.56 -0.27 0.00 -1.36 0.00 0.00 55.97 53.78 1mff s LYS 32 Cb 0.00 -2.91 -0.09 0.00 -1.68 0.00 0.00 37.83 33.15 1mff s LYS 32 CO 0.00 0.46 1.34 -2.14 -0.76 0.00 0.00 175.35 174.25 1mff s PRO 33 N -3.46 4.06 0.52 -1.68 0.02 -1.26 -4.54 135.00 128.67 1mff s PRO 33 Ca 0.36 2.26 0.17 0.00 0.02 0.00 0.00 61.00 63.80 1mff s PRO 33 Cb -0.11 -2.86 1.30 0.00 0.02 0.00 0.00 34.50 32.86 1mff s PRO 33 CO 0.29 -0.45 2.14 0.00 -0.33 0.00 0.00 177.00 178.65 1mff h ALA 34 N 2.87 2.02 -0.40 -1.55 0.00 -1.92 -0.83 119.26 119.44 1mff h ALA 34 Ca -0.50 -0.00 0.12 0.00 0.00 0.00 0.00 54.91 54.53 1mff h ALA 34 Cb 1.24 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 19.02 1mff h ALA 34 CO 0.63 -0.05 0.30 0.37 0.00 0.00 0.00 179.25 180.50 1mff h GLN 35 N 0.00 0.00 -0.46 0.00 5.75 -1.99 -2.12 115.11 116.30 1mff h GLN 35 Ca 0.02 0.00 -0.05 0.00 -0.15 0.00 0.00 58.65 58.47 1mff h GLN 35 Cb 0.08 0.00 -0.03 0.00 1.07 0.00 0.00 27.48 28.61 1mff h GLN 35 CO -0.00 0.00 0.04 0.66 -2.65 0.00 0.00 178.83 176.88 1mff n TYR 36 N -4.36 1.61 -3.77 3.99 4.01 -0.32 -4.93 117.16 113.40 1mff n TYR 36 Ca 0.07 -0.93 -0.36 0.00 -0.16 0.00 0.00 57.90 56.52 1mff n TYR 36 Cb 0.49 -0.46 -0.12 0.00 -0.31 0.00 0.00 39.34 38.93 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 -2.87 4.36 -0.08 -0.72 1.01 -0.80 -0.35 121.20 121.76 1mff s ILE 37 Ca 0.49 -0.16 0.02 0.00 0.00 0.00 0.00 60.65 61.00 1mff s ILE 37 Cb 0.39 -3.04 -0.02 0.00 0.01 0.00 0.00 42.46 39.80 1mff s ILE 37 CO 0.12 0.34 -0.12 0.00 0.00 0.00 0.00 174.94 175.28 1mff s ALA 38 N 1.55 2.74 -0.02 9.38 0.00 -0.50 -4.97 121.76 129.93 1mff s ALA 38 Ca 0.06 -0.93 0.05 0.00 0.00 0.00 0.00 51.96 51.14 1mff s ALA 38 Cb -0.15 -1.11 -0.01 0.00 0.00 0.00 0.00 23.12 21.85 1mff s ALA 38 CO 0.04 0.47 -0.17 0.08 0.00 0.00 0.00 175.76 176.18 1mff s VAL 39 N -0.45 1.39 -0.12 0.00 1.01 -1.26 -1.33 120.40 119.63 1mff s VAL 39 Ca 0.06 -0.74 -0.03 0.00 0.00 0.00 0.00 61.98 61.26 1mff s VAL 39 Cb -0.12 -1.16 0.05 0.00 0.00 0.00 0.00 36.38 35.15 1mff s VAL 39 CO 0.02 0.39 0.07 -2.28 0.00 0.00 0.00 175.10 173.30 1mff s HIS 40 N -0.35 0.25 -0.12 5.22 5.04 -0.30 -4.97 115.29 120.06 1mff s HIS 40 Ca 0.05 -0.14 0.01 0.00 -1.54 0.00 0.00 55.06 53.43 1mff s HIS 40 Cb -0.07 -0.65 -0.02 0.00 0.04 0.00 0.00 32.58 31.88 1mff s HIS 40 CO -0.00 -0.39 -0.14 0.08 -2.34 0.00 0.00 174.74 171.95 1mff s VAL 41 N 2.11 3.02 -0.36 0.89 1.01 -1.26 -0.69 120.40 125.12 1mff s VAL 41 Ca 0.03 -0.68 0.03 0.00 0.00 0.00 0.00 61.98 61.35 1mff s VAL 41 Cb -0.14 -2.25 0.11 0.00 0.00 0.00 0.00 36.38 34.09 1mff s VAL 41 CO -0.07 0.54 0.11 -0.69 0.00 0.00 0.00 175.10 174.99 1mff s VAL 42 N 0.17 1.86 0.64 2.92 1.01 0.57 -4.97 120.40 122.59 1mff s VAL 42 Ca -0.08 -2.23 0.02 0.00 0.00 0.00 0.00 61.98 59.70 1mff s VAL 42 Cb -0.15 -2.36 0.12 0.00 0.00 0.00 0.00 36.38 33.99 1mff s VAL 42 CO 0.05 -0.67 0.88 -0.81 0.00 0.00 0.00 175.10 174.54 1mff n PRO 43 N 4.21 0.14 -2.57 2.72 -0.04 -1.26 -0.54 135.00 137.65 1mff n PRO 43 Ca 0.03 -2.63 -0.19 0.00 -0.04 0.00 0.00 63.50 60.67 1mff n PRO 43 Cb 0.40 -0.51 -0.00 0.00 -0.04 0.00 0.00 33.50 33.36 1mff n PRO 43 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1mff n ASP 44 N -2.76 -5.42 -4.91 3.54 8.00 0.77 -4.81 116.55 110.95 1mff n ASP 44 Ca 0.15 -0.04 -0.27 0.00 0.71 0.00 0.00 54.79 55.34 1mff n ASP 44 Cb 0.55 -4.50 0.01 0.00 -0.02 0.00 0.00 41.12 37.16 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 -5.21 3.40 -0.46 -1.24 -1.52 0.29 -4.93 119.66 109.98 1mff s GLN 45 Ca 0.08 0.11 -0.19 0.00 -1.95 0.00 0.00 55.36 53.41 1mff s GLN 45 Cb -0.04 -2.37 0.04 0.00 -0.22 0.00 0.00 33.01 30.42 1mff s GLN 45 CO 0.09 -0.29 0.57 -1.17 -0.25 0.00 0.00 175.29 174.24 1mff s LEU 46 N -4.77 4.81 0.05 2.90 2.96 -1.26 -4.08 118.68 119.29 1mff s LEU 46 Ca 0.48 -0.69 -0.10 0.00 -0.22 0.00 0.00 54.13 53.61 1mff s LEU 46 Cb -0.10 -2.51 0.01 0.00 0.50 0.00 0.00 46.19 44.09 1mff s LEU 46 CO 0.44 -0.77 0.21 -0.04 -1.32 0.00 0.00 176.35 174.88 1mff s MET 47 N 2.53 0.73 0.14 1.98 -1.94 -1.26 -5.08 119.30 116.40 1mff s MET 47 Ca 0.16 -0.65 0.06 0.00 -1.71 0.00 0.00 55.69 53.55 1mff s MET 47 Cb -0.17 0.30 -0.04 0.00 2.01 0.00 0.00 34.83 36.93 1mff s MET 47 CO 0.14 -0.22 -0.13 0.95 -0.01 0.00 0.00 175.02 175.75 1mff s THR 48 N -2.73 1.36 -0.05 2.05 -4.23 -1.26 -4.66 115.64 106.12 1mff s THR 48 Ca -0.04 -1.87 -0.02 0.00 -1.18 0.00 0.00 61.69 58.58 1mff s THR 48 Cb -0.00 -1.68 0.04 0.00 1.34 0.00 0.00 72.50 72.19 1mff s THR 48 CO -0.05 -0.52 0.09 0.12 -0.54 0.00 0.00 174.62 173.73 1mff s PHE 49 N -2.53 -0.04 -1.60 3.99 2.19 -0.46 -4.79 117.98 114.75 1mff s PHE 49 Ca 0.13 0.34 -0.02 0.00 0.33 0.00 0.00 56.93 57.71 1mff s PHE 49 Cb -0.03 -0.31 0.00 0.00 -1.31 0.00 0.00 43.02 41.37 1mff s PHE 49 CO 0.03 -0.18 0.27 0.43 1.83 0.00 0.00 175.22 177.60 1mff n SER 50 N 4.88 -5.81 0.00 6.13 7.64 -1.26 -2.04 113.62 123.16 1mff n SER 50 Ca -0.13 -0.14 0.00 0.00 1.01 0.00 0.00 58.87 59.61 1mff n SER 50 Cb 0.50 -4.74 0.00 0.00 -1.01 0.00 0.00 64.21 58.97 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 -1.24 0.64 3.45 0.23 0.00 -1.26 -5.02 105.19 101.99 1mff n GLY 51 Ca -0.18 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.62 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 -2.67 1.63 -0.27 2.61 -4.23 -0.87 -5.05 115.64 106.79 1mff s THR 52 Ca 0.00 -2.10 0.12 0.00 -1.18 0.00 0.00 61.69 58.53 1mff s THR 52 Cb 0.00 -2.56 0.59 0.00 1.34 0.00 0.00 72.50 71.87 1mff s THR 52 CO 0.00 -0.22 1.57 -0.46 -0.54 0.00 0.00 174.62 174.97 1mff n ASN 53 N -0.64 3.70 -4.64 3.99 6.94 -1.26 -1.35 115.26 121.99 1mff n ASN 53 Ca -0.05 -3.34 -0.30 0.00 -0.02 0.00 0.00 54.58 50.87 1mff n ASN 53 Cb 0.64 -0.64 0.18 0.00 -2.36 0.00 0.00 39.78 37.60 1mff n ASN 53 CO 0.00 0.00 0.00 -1.81 -1.03 0.00 0.00 177.26 174.42 1mff s ASP 54 N -1.85 2.59 0.27 0.53 1.01 -1.26 -4.86 116.67 113.10 1mff s ASP 54 Ca 0.47 2.05 -0.30 0.00 0.71 0.00 0.00 52.55 55.48 1mff s ASP 54 Cb 0.40 -2.52 -0.14 0.00 1.01 0.00 0.00 42.92 41.68 1mff s ASP 54 CO 0.07 -3.29 1.22 -2.65 0.21 0.00 0.00 175.17 170.74 1mff n PRO 55 N -4.35 1.74 -3.93 8.23 -0.02 -1.26 -4.83 135.00 130.58 1mff n PRO 55 Ca 0.10 0.61 -0.10 0.00 -2.02 0.00 0.00 63.50 62.10 1mff n PRO 55 Cb 0.53 -2.14 -0.02 0.00 -0.02 0.00 0.00 33.50 31.85 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 -3.26 -1.21 -0.20 0.00 0.00 -0.60 -3.54 121.76 112.95 1mff s ALA 57 Ca 0.19 1.02 0.02 0.00 0.00 0.00 0.00 51.96 53.19 1mff s ALA 57 Cb -0.03 -0.32 0.03 0.00 0.00 0.00 0.00 23.12 22.80 1mff s ALA 57 CO 0.12 -0.28 -0.17 -0.51 0.00 0.00 0.00 175.76 174.92 1mff s LEU 58 N -0.61 2.52 0.31 0.00 1.43 -0.15 -2.27 118.68 119.90 1mff s LEU 58 Ca -0.07 -0.88 0.06 0.00 -1.03 0.00 0.00 54.13 52.22 1mff s LEU 58 Cb -0.03 -1.49 -0.06 0.00 0.03 0.00 0.00 46.19 44.64 1mff s LEU 58 CO 0.04 -0.06 -0.04 0.00 0.23 0.00 0.00 176.35 176.52 1mff s SER 60 N -3.50 -0.07 -0.18 0.00 0.01 -0.52 -0.66 113.70 108.79 1mff s SER 60 Ca 0.32 0.17 -0.01 0.00 1.31 0.00 0.00 55.95 57.74 1mff s SER 60 Cb 0.05 0.13 0.05 0.00 0.21 0.00 0.00 66.02 66.46 1mff s SER 60 CO 0.14 -0.07 -0.04 -0.22 0.41 0.00 0.00 173.24 173.46 1mff s LEU 61 N 0.45 1.70 -0.17 2.44 2.96 -0.10 -1.49 118.68 124.47 1mff s LEU 61 Ca -0.03 -0.76 -0.03 0.00 -0.22 0.00 0.00 54.13 53.09 1mff s LEU 61 Cb -0.05 -0.91 -0.02 0.00 0.50 0.00 0.00 46.19 45.71 1mff s LEU 61 CO -0.02 -0.21 -0.06 -1.00 -1.32 0.00 0.00 176.35 173.75 1mff s HIS 62 N 1.63 2.95 0.01 5.38 3.76 -0.40 -0.29 115.29 128.32 1mff s HIS 62 Ca -0.00 -0.56 -0.08 0.00 -0.15 0.00 0.00 55.06 54.26 1mff s HIS 62 Cb -0.16 -1.98 0.00 0.00 1.11 0.00 0.00 32.58 31.56 1mff s HIS 62 CO -0.07 -0.23 0.16 0.45 -0.85 0.00 0.00 174.74 174.19 1mff s SER 63 N 0.70 0.03 -0.59 1.40 0.15 -0.87 -0.48 113.70 114.04 1mff s SER 63 Ca -0.03 -0.25 -0.22 0.00 0.70 0.00 0.00 55.95 56.15 1mff s SER 63 Cb -0.15 0.23 0.06 0.00 -1.71 0.00 0.00 66.02 64.45 1mff s SER 63 CO 0.02 -0.42 0.88 -0.63 1.20 0.00 0.00 173.24 174.28 1mff s ILE 64 N -1.72 4.48 0.08 6.45 1.01 -1.26 -0.39 121.20 129.86 1mff s ILE 64 Ca -0.12 -0.23 0.00 0.00 0.00 0.00 0.00 60.65 60.30 1mff s ILE 64 Cb -0.06 -4.56 0.00 0.00 0.01 0.00 0.00 42.46 37.86 1mff s ILE 64 CO 0.00 -1.21 0.00 0.61 0.00 0.00 0.00 174.94 174.34 1mff n GLY 65 N 5.23 -2.18 2.80 6.18 0.00 -1.26 -4.95 105.19 111.02 1mff n GLY 65 Ca -0.03 -1.44 -0.20 0.00 0.00 0.00 0.00 46.02 44.34 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 -1.82 -3.95 -4.54 1.61 4.76 -1.26 -4.94 118.16 108.02 1mff n LYS 66 Ca 0.00 0.86 -0.28 0.00 -2.87 0.00 0.00 58.31 56.02 1mff n LYS 66 Cb 0.17 -5.54 -0.17 0.00 -1.84 0.00 0.00 35.03 27.65 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 -3.10 1.43 0.00 -0.18 -1.09 -1.26 -4.87 121.20 112.14 1mff s ILE 67 Ca 0.23 -0.62 0.00 0.00 -2.23 0.00 0.00 60.65 58.03 1mff s ILE 67 Cb -0.10 -1.31 0.00 0.00 -1.58 0.00 0.00 42.46 39.47 1mff s ILE 67 CO 0.28 0.43 0.00 0.61 -1.23 0.00 0.00 174.94 175.02 1mff n GLY 68 N 4.06 -0.17 0.15 6.18 0.00 -1.26 -4.97 105.19 109.18 1mff n GLY 68 Ca -0.20 -0.90 -0.04 0.00 0.00 0.00 0.00 46.02 44.88 1mff n GLY 68 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1mff h GLY 69 N 0.00 -1.99 1.61 -0.02 0.00 -1.99 0.11 103.07 100.78 1mff h GLY 69 Ca 0.00 1.00 -0.19 0.00 0.00 0.00 0.00 47.33 48.14 1mff h GLY 69 CO 0.00 -0.64 -0.78 0.00 0.00 0.00 0.00 176.54 175.12 1mff h ALA 70 N -0.55 0.55 -0.31 3.60 0.00 -2.01 -3.05 119.26 117.49 1mff h ALA 70 Ca 0.05 -0.64 -0.08 0.00 0.00 0.00 0.00 54.91 54.25 1mff h ALA 70 Cb 0.16 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 1mff h ALA 70 CO -0.30 0.79 -0.13 1.96 0.00 0.00 0.00 179.25 181.57 1mff h GLN 71 N 0.24 0.54 0.00 0.00 4.20 -1.85 -2.75 115.11 115.49 1mff h GLN 71 Ca -0.04 -0.16 -0.11 0.00 0.06 0.00 0.00 58.65 58.40 1mff h GLN 71 Cb 1.37 -0.05 -0.02 0.00 0.30 0.00 0.00 27.48 29.08 1mff h GLN 71 CO 0.13 0.66 -0.53 -0.91 -0.67 0.00 0.00 178.83 177.52 1mff h ASN 72 N 0.50 0.00 -0.15 1.46 4.21 -0.68 -0.78 115.58 120.14 1mff h ASN 72 Ca 0.09 0.00 -0.05 0.00 1.21 0.00 0.00 56.30 57.55 1mff h ASN 72 Cb 0.52 0.00 -0.00 0.00 -1.12 0.00 0.00 38.32 37.72 1mff h ASN 72 CO 0.03 0.53 -0.09 0.03 -1.29 0.00 0.00 177.43 176.64 1mff h ARG 73 N 0.00 0.33 -0.67 0.81 3.08 -1.48 -0.68 114.38 115.78 1mff h ARG 73 Ca -0.01 -0.15 0.02 0.00 0.07 0.00 0.00 59.98 59.92 1mff h ARG 73 Cb 1.00 -0.01 -0.04 0.00 0.08 0.00 0.00 29.97 31.01 1mff h ARG 73 CO 0.07 0.67 0.42 -0.91 -1.07 0.00 0.00 179.97 179.15 1mff h ASN 74 N -0.01 0.70 -0.47 7.04 2.35 -1.19 -1.58 115.58 122.41 1mff h ASN 74 Ca 0.03 -0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 55.77 1mff h ASN 74 Cb 0.58 -0.15 -0.02 0.00 0.05 0.00 0.00 38.32 38.77 1mff h ASN 74 CO 0.03 0.49 0.28 1.88 -1.65 0.00 0.00 177.43 178.46 1mff h TYR 75 N 0.83 0.63 -1.00 1.19 0.05 -1.05 -1.69 116.97 115.93 1mff h TYR 75 Ca 0.26 -0.00 0.04 0.00 0.05 0.00 0.00 58.73 59.08 1mff h TYR 75 Cb -0.01 -0.21 -0.06 0.00 1.01 0.00 0.00 36.73 37.47 1mff h TYR 75 CO -0.04 0.44 0.65 0.77 -1.05 0.00 0.00 178.16 178.93 1mff h SER 76 N 0.63 1.08 -0.18 3.88 0.02 -0.91 0.15 113.55 118.23 1mff h SER 76 Ca 0.17 -0.01 -0.04 0.00 -0.84 0.00 0.00 61.79 61.07 1mff h SER 76 Cb -0.00 -0.24 -0.01 0.00 0.14 0.00 0.00 62.40 62.29 1mff h SER 76 CO -0.03 0.73 -0.05 0.50 -1.14 0.00 0.00 176.83 176.85 1mff h LYS 77 N 1.25 0.36 0.05 3.45 3.64 -1.10 -0.45 116.57 123.76 1mff h LYS 77 Ca 0.40 -0.14 -0.00 0.00 -1.27 0.00 0.00 60.65 59.64 1mff h LYS 77 Cb 0.03 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 31.83 1mff h LYS 77 CO -0.13 0.62 -0.02 1.25 -2.27 0.00 0.00 179.45 178.89 1mff h LEU 78 N 0.07 -0.06 -0.31 5.20 5.85 -1.20 -2.00 115.31 122.86 1mff h LEU 78 Ca 0.05 -0.06 -0.20 0.00 0.84 0.00 0.00 57.88 58.50 1mff h LEU 78 Cb 0.49 0.01 0.00 0.00 0.37 0.00 0.00 40.66 41.53 1mff h LEU 78 CO 0.02 0.03 -0.76 -0.07 -0.34 0.00 0.00 178.44 177.31 1mff h LEU 79 N -0.13 0.62 -0.84 2.25 4.07 -0.66 -1.93 115.31 118.69 1mff h LEU 79 Ca -0.01 -0.41 -0.10 0.00 0.08 0.00 0.00 57.88 57.43 1mff h LEU 79 Cb 0.12 -0.18 -0.01 0.00 1.08 0.00 0.00 40.66 41.66 1mff h LEU 79 CO 0.01 1.18 -0.26 0.00 -1.08 0.00 0.00 178.44 178.29 1mff h GLY 81 N 1.01 0.68 1.28 0.00 0.00 -1.30 0.19 103.07 104.94 1mff h GLY 81 Ca 0.07 -0.31 -0.13 0.00 0.00 0.00 0.00 47.33 46.96 1mff h GLY 81 CO 0.05 0.29 -0.29 1.41 0.00 0.00 0.00 176.54 178.01 1mff h LEU 82 N 0.61 0.84 -0.63 3.11 4.07 -1.04 -0.90 115.31 121.36 1mff h LEU 82 Ca 0.16 -0.34 -0.11 0.00 0.08 0.00 0.00 57.88 57.68 1mff h LEU 82 Cb 0.04 -0.23 -0.02 0.00 1.08 0.00 0.00 40.66 41.53 1mff h LEU 82 CO -0.03 1.07 -0.11 -0.07 -1.08 0.00 0.00 178.44 178.22 1mff h LEU 83 N 0.69 0.96 -0.08 1.67 3.38 -1.14 0.26 115.31 121.04 1mff h LEU 83 Ca 0.08 -0.31 -0.02 0.00 0.09 0.00 0.00 57.88 57.72 1mff h LEU 83 Cb 0.83 -0.26 -0.00 0.00 0.09 0.00 0.00 40.66 41.31 1mff h LEU 83 CO 0.07 1.07 -0.04 -1.28 0.09 0.00 0.00 178.44 178.36 1mff h SER 84 N 0.85 0.18 -0.41 -0.43 0.87 -0.72 -0.75 113.55 113.13 1mff h SER 84 Ca 0.13 -0.41 -0.12 0.00 -1.23 0.00 0.00 61.79 60.17 1mff h SER 84 Cb 0.66 -0.05 -0.01 0.00 -0.44 0.00 0.00 62.40 62.55 1mff h SER 84 CO 0.05 0.54 -0.19 0.44 -0.53 0.00 0.00 176.83 177.14 1mff h ASP 85 N -0.19 0.92 0.08 6.23 3.32 -1.02 -1.05 116.42 124.70 1mff h ASP 85 Ca 0.02 -0.33 -0.35 0.00 0.02 0.00 0.00 57.03 56.40 1mff h ASP 85 Cb 0.48 -0.25 -0.03 0.00 0.22 0.00 0.00 39.33 39.75 1mff h ASP 85 CO 0.01 1.08 -1.93 0.54 -1.72 0.00 0.00 179.24 177.22 1mff n ARG 86 N -4.12 0.70 0.00 3.56 5.12 0.90 -4.48 116.66 118.33 1mff n ARG 86 Ca 0.01 0.31 0.09 0.00 -1.93 0.00 0.00 57.85 56.33 1mff n ARG 86 Cb 0.43 -1.68 -0.00 0.00 -1.16 0.00 0.00 32.46 30.04 1mff n ARG 86 CO 0.00 0.00 0.00 1.28 -1.93 0.00 0.00 177.63 176.98 1mff n LEU 87 N -3.70 1.74 -2.35 0.55 4.77 -0.35 -4.69 117.00 112.97 1mff n LEU 87 Ca -0.35 -0.76 -0.18 0.00 -0.03 0.00 0.00 56.01 54.69 1mff n LEU 87 Cb 0.96 0.00 0.02 0.00 -2.33 0.00 0.00 43.42 42.07 1mff n LEU 87 CO 0.34 0.33 -0.06 1.41 -1.33 0.00 0.00 177.39 178.08 1mff n HIS 88 N -0.11 -1.39 -3.54 -1.77 8.25 -0.40 -4.97 115.22 111.28 1mff n HIS 88 Ca 0.07 0.31 -0.37 0.00 -0.26 0.00 0.00 57.72 57.48 1mff n HIS 88 Cb 0.38 -3.75 -0.08 0.00 1.12 0.00 0.00 29.99 27.66 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 -3.01 5.30 0.38 1.59 1.01 -1.09 -4.96 121.20 120.42 1mff s ILE 89 Ca 0.18 0.49 -0.27 0.00 0.00 0.00 0.00 60.65 61.05 1mff s ILE 89 Cb -0.08 -3.62 -0.10 0.00 0.01 0.00 0.00 42.46 38.68 1mff s ILE 89 CO 0.22 0.36 1.35 -0.55 0.00 0.00 0.00 174.94 176.33 1mff s SER 90 N 0.66 6.45 0.57 3.58 0.15 -1.26 -3.40 113.70 120.44 1mff s SER 90 Ca 0.15 2.77 0.31 0.00 0.70 0.00 0.00 55.95 59.88 1mff s SER 90 Cb -0.13 -2.65 1.71 0.00 -1.71 0.00 0.00 66.02 63.24 1mff s SER 90 CO 0.04 -0.77 2.18 -0.65 1.20 0.00 0.00 173.24 175.24 1mff h PRO 91 N 2.97 0.00 -0.06 5.44 0.11 -1.96 0.38 132.00 138.88 1mff h PRO 91 Ca -0.50 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.61 1mff h PRO 91 Cb 1.24 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.35 1mff h PRO 91 CO 0.64 0.05 0.00 -0.40 -0.21 0.00 0.00 178.00 178.08 1mff n ASP 92 N -3.64 0.63 -1.15 -2.05 5.75 -1.26 -2.53 116.55 112.31 1mff n ASP 92 Ca -0.02 -1.51 -0.05 0.00 -0.01 0.00 0.00 54.79 53.20 1mff n ASP 92 Cb 0.16 -0.04 0.15 0.00 -1.03 0.00 0.00 41.12 40.37 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 -0.38 2.20 -4.69 0.11 1.74 0.12 -4.97 116.66 110.79 1mff n ARG 93 Ca 0.15 -3.51 -0.26 0.00 -0.77 0.00 0.00 57.85 53.47 1mff n ARG 93 Cb 0.17 -1.85 -0.17 0.00 -1.02 0.00 0.00 32.46 29.59 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 -3.64 1.28 -0.01 1.55 1.01 -1.05 -1.56 120.40 117.97 1mff s VAL 94 Ca 0.44 -0.57 0.03 0.00 0.00 0.00 0.00 61.98 61.87 1mff s VAL 94 Cb 0.39 -1.14 -0.03 0.00 0.00 0.00 0.00 36.38 35.60 1mff s VAL 94 CO -0.03 0.38 -0.07 -0.36 0.00 0.00 0.00 175.10 175.03 1mff s PHE 95 N 0.52 2.90 -0.15 5.22 0.08 -0.96 -4.99 117.98 120.60 1mff s PHE 95 Ca -0.13 -0.03 -0.02 0.00 0.12 0.00 0.00 56.93 56.87 1mff s PHE 95 Cb -0.15 -1.63 0.04 0.00 -0.57 0.00 0.00 43.02 40.71 1mff s PHE 95 CO 0.04 0.36 -0.00 0.42 -0.10 0.00 0.00 175.22 175.94 1mff s ILE 96 N -0.95 0.65 -0.10 0.64 1.01 -1.26 -0.37 121.20 120.82 1mff s ILE 96 Ca 0.16 -0.35 -0.21 0.00 0.00 0.00 0.00 60.65 60.25 1mff s ILE 96 Cb -0.11 -0.94 -0.04 0.00 0.01 0.00 0.00 42.46 41.38 1mff s ILE 96 CO 0.06 0.04 0.59 0.20 0.00 0.00 0.00 174.94 175.84 1mff s ASN 97 N 1.83 6.82 -0.18 3.58 0.01 0.17 -4.96 114.94 122.22 1mff s ASN 97 Ca 0.02 0.98 -0.06 0.00 -0.71 0.00 0.00 52.86 53.09 1mff s ASN 97 Cb -0.15 -2.35 -0.03 0.00 0.41 0.00 0.00 41.25 39.13 1mff s ASN 97 CO -0.07 -0.08 0.01 -0.31 -1.51 0.00 0.00 177.10 175.14 1mff s TYR 98 N 0.84 3.11 -0.17 2.20 2.02 -1.26 -0.93 117.35 123.17 1mff s TYR 98 Ca 0.31 -0.20 0.01 0.00 -0.37 0.00 0.00 57.07 56.83 1mff s TYR 98 Cb -0.16 -2.04 0.02 0.00 -0.40 0.00 0.00 41.96 39.37 1mff s TYR 98 CO 0.14 -0.03 -0.20 0.71 -1.57 0.00 0.00 175.55 174.60 1mff s TYR 99 N 0.57 2.71 -0.46 2.71 2.02 0.60 -4.97 117.35 120.52 1mff s TYR 99 Ca 0.00 -1.53 -0.23 0.00 -0.37 0.00 0.00 57.07 54.94 1mff s TYR 99 Cb -0.14 -1.87 0.03 0.00 -0.40 0.00 0.00 41.96 39.59 1mff s TYR 99 CO 0.02 -0.74 0.80 0.34 -1.57 0.00 0.00 175.55 174.40 1mff s ASP 100 N 1.16 6.40 -0.05 2.29 2.15 -1.26 -2.05 116.67 125.31 1mff s ASP 100 Ca 0.01 -0.16 -0.19 0.00 0.43 0.00 0.00 52.55 52.64 1mff s ASP 100 Cb -0.14 -2.39 -0.05 0.00 -0.30 0.00 0.00 42.92 40.04 1mff s ASP 100 CO -0.10 -0.95 0.53 -0.04 -0.17 0.00 0.00 175.17 174.44 1mff s MET 101 N 3.35 4.27 0.29 4.34 -1.94 0.48 -4.92 119.30 125.18 1mff s MET 101 Ca 0.30 0.59 -0.29 0.00 -1.71 0.00 0.00 55.69 54.58 1mff s MET 101 Cb -0.12 -3.36 -0.10 0.00 2.01 0.00 0.00 34.83 33.26 1mff s MET 101 CO 0.22 0.33 1.13 1.21 -0.01 0.00 0.00 175.02 177.90 1mff s ASN 102 N 0.01 7.16 0.52 3.03 3.84 -1.26 -4.10 114.94 124.14 1mff s ASN 102 Ca 0.28 2.34 0.18 0.00 0.21 0.00 0.00 52.86 55.87 1mff s ASN 102 Cb -0.17 -2.63 1.31 0.00 -0.55 0.00 0.00 41.25 39.21 1mff s ASN 102 CO 0.14 -0.23 2.12 0.00 -2.79 0.00 0.00 177.10 176.35 1mff h ALA 103 N 3.69 2.09 0.00 1.71 0.00 -1.94 0.74 119.26 125.55 1mff h ALA 103 Ca -0.47 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.43 1mff h ALA 103 Cb 1.21 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.01 1mff h ALA 103 CO 0.66 -0.13 0.00 0.00 0.00 0.00 0.00 179.25 179.78 1mff n ALA 104 N -2.56 1.80 -0.63 0.00 0.00 -1.26 -2.59 120.51 115.27 1mff n ALA 104 Ca -0.00 0.01 0.08 0.00 0.00 0.00 0.00 53.44 53.53 1mff n ALA 104 Cb 0.20 -1.36 0.28 0.00 0.00 0.00 0.00 19.45 18.57 1mff n ALA 104 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1mff n ASN 105 N -1.93 4.10 -4.07 0.00 3.02 0.25 -4.83 115.26 111.80 1mff n ASN 105 Ca 0.03 -2.53 -0.32 0.00 -0.03 0.00 0.00 54.58 51.74 1mff n ASN 105 Cb 0.25 -0.49 -0.16 0.00 -0.61 0.00 0.00 39.78 38.77 1mff n ASN 105 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1mff s VAL 106 N -1.97 1.82 -0.10 2.41 1.01 -1.13 -4.90 120.40 117.54 1mff s VAL 106 Ca 0.42 -0.82 -0.10 0.00 0.00 0.00 0.00 61.98 61.47 1mff s VAL 106 Cb 0.29 -1.69 -0.05 0.00 0.00 0.00 0.00 36.38 34.93 1mff s VAL 106 CO 0.17 0.47 0.22 -0.83 0.00 0.00 0.00 175.10 175.13 1mff s GLY 107 N 1.38 2.23 -0.28 4.51 0.00 -1.26 -2.39 107.32 111.52 1mff s GLY 107 Ca 0.04 -0.52 -0.20 0.00 0.00 0.00 0.00 44.72 44.04 1mff s GLY 107 CO -0.12 -0.12 0.77 0.86 0.00 0.00 0.00 173.10 174.50 1mff s TRP 108 N -0.75 -0.85 -1.50 1.90 -0.00 0.05 -4.97 118.94 112.81 1mff s TRP 108 Ca 0.17 1.83 -0.13 0.00 -0.00 0.00 0.00 56.10 57.98 1mff s TRP 108 Cb -0.13 0.45 0.07 0.00 -0.00 0.00 0.00 33.47 33.86 1mff s TRP 108 CO 0.06 -0.41 0.99 -1.71 -0.00 0.00 0.00 176.95 175.87 1mff n ASN 109 N 3.45 -4.77 0.00 5.86 4.05 -1.26 -2.40 115.26 120.19 1mff n ASN 109 Ca -0.17 -0.76 0.00 0.00 0.45 0.00 0.00 54.58 54.10 1mff n ASN 109 Cb 0.57 -4.01 0.00 0.00 1.23 0.00 0.00 39.78 37.57 1mff n ASN 109 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 1mff n GLY 110 N -1.72 0.81 0.00 8.20 0.00 -1.26 -4.97 105.19 106.24 1mff n GLY 110 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.04 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 -0.02 0.10 -4.75 1.61 2.88 -1.01 -5.17 113.62 107.26 1mff n SER 111 Ca 0.00 -0.65 -0.29 0.00 -1.33 0.00 0.00 58.87 56.60 1mff n SER 111 Cb 0.01 0.00 -0.07 0.00 -0.75 0.00 0.00 64.21 63.40 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 -1.58 1.68 -2.45 2.46 -4.23 -1.26 -0.77 115.64 109.49 1mff s THR 112 Ca 0.00 -1.85 0.27 0.00 -1.18 0.00 0.00 61.69 58.94 1mff s THR 112 Cb 0.00 -2.53 0.48 0.00 1.34 0.00 0.00 72.50 71.80 1mff s THR 112 CO 0.00 0.00 1.68 0.49 -0.54 0.00 0.00 174.62 176.25 1mff n PHE 113 N -1.28 0.00 0.51 3.99 3.72 -1.00 -4.89 117.46 118.50 1mff n PHE 113 Ca -0.09 0.00 0.04 0.00 -0.05 0.00 0.00 57.45 57.35 1mff n PHE 113 Cb 0.66 -0.01 0.24 0.00 -0.94 0.00 0.00 39.48 39.43 1mff n PHE 113 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71