#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1fr6 n ALA 2 N 0.00 1.73 -1.73 0.00 0.00 -1.26 -4.89 120.51 114.36 1fr6 n ALA 2 Ca 0.00 -0.18 -0.38 0.00 0.00 0.00 0.00 53.44 52.88 1fr6 n ALA 2 Cb 0.00 -2.88 0.05 0.00 0.00 0.00 0.00 19.45 16.62 1fr6 n ALA 2 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1fr6 n LYS 3 N 8.57 1.50 -3.76 0.00 4.76 -1.26 -5.02 118.16 122.94 1fr6 n LYS 3 Ca 0.29 0.56 -0.31 0.00 -2.87 0.00 0.00 58.31 55.98 1fr6 n LYS 3 Cb 0.43 -2.55 -0.04 0.00 -1.84 0.00 0.00 35.03 31.03 1fr6 n LYS 3 CO 0.00 0.00 0.00 0.99 -1.37 0.00 0.00 177.40 177.02 1fr6 s THR 4 N -1.32 5.25 0.29 -0.18 2.01 -1.26 -4.94 115.64 115.48 1fr6 s THR 4 Ca 0.75 -0.12 0.03 0.00 0.31 0.00 0.00 61.69 62.66 1fr6 s THR 4 Cb -0.41 -3.63 0.29 0.00 0.01 0.00 0.00 72.50 68.77 1fr6 s THR 4 CO 0.46 0.08 1.68 -0.33 -0.69 0.00 0.00 174.62 175.82 1fr6 h GLU 5 N 2.92 0.32 0.00 4.92 5.08 -1.98 0.17 114.58 126.01 1fr6 h GLU 5 Ca -0.46 -0.02 -0.03 0.00 -1.00 0.00 0.00 59.36 57.85 1fr6 h GLU 5 Cb 1.16 -0.07 -0.00 0.00 0.50 0.00 0.00 28.75 30.34 1fr6 h GLU 5 CO 0.74 0.21 -0.16 -0.56 -1.00 0.00 0.00 179.01 178.24 1fr6 h GLN 6 N 0.33 0.00 0.08 2.33 3.07 -1.97 1.49 115.11 120.44 1fr6 h GLN 6 Ca 0.54 0.00 -0.27 0.00 0.09 0.00 0.00 58.65 59.01 1fr6 h GLN 6 Cb 1.05 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 28.60 1fr6 h GLN 6 CO -0.56 0.16 -1.32 0.37 0.09 0.00 0.00 178.83 177.56 1fr6 h GLN 7 N 0.00 0.18 -0.19 0.06 5.75 -1.12 -1.22 115.11 118.57 1fr6 h GLN 7 Ca -0.00 -0.30 -0.04 0.00 -0.15 0.00 0.00 58.65 58.16 1fr6 h GLN 7 Cb 0.48 0.11 -0.01 0.00 1.07 0.00 0.00 27.48 29.14 1fr6 h GLN 7 CO 0.02 1.07 -0.03 0.82 -2.65 0.00 0.00 178.83 178.06 1fr6 h ILE 8 N 0.05 1.28 -0.76 2.39 2.04 -0.63 -2.49 117.51 119.39 1fr6 h ILE 8 Ca -0.15 -0.98 0.05 0.00 1.00 0.00 0.00 64.86 64.78 1fr6 h ILE 8 Cb 1.94 1.55 -0.05 0.00 -0.74 0.00 0.00 36.82 39.52 1fr6 h ILE 8 CO 0.16 0.29 0.47 0.00 0.00 0.00 0.00 178.15 179.07 1fr6 h ALA 9 N 0.74 1.02 -0.51 1.87 0.00 0.21 -2.68 119.26 119.91 1fr6 h ALA 9 Ca 0.05 -0.01 0.07 0.00 0.00 0.00 0.00 54.91 55.02 1fr6 h ALA 9 Cb 0.46 -0.21 -0.06 0.00 0.00 0.00 0.00 17.79 17.98 1fr6 h ALA 9 CO 0.02 0.22 0.19 -0.44 0.00 0.00 0.00 179.25 179.23 1fr6 h ASP 10 N 0.88 0.20 0.69 0.00 3.32 -0.77 -1.01 116.42 119.73 1fr6 h ASP 10 Ca 0.32 0.06 -0.03 0.00 0.02 0.00 0.00 57.03 57.40 1fr6 h ASP 10 Cb 0.10 0.04 0.01 0.00 0.22 0.00 0.00 39.33 39.70 1fr6 h ASP 10 CO -0.15 0.14 -0.33 0.40 -1.72 0.00 0.00 179.24 177.58 1fr6 h ILE 11 N 0.37 0.27 -0.29 0.35 2.04 -1.25 0.28 117.51 119.28 1fr6 h ILE 11 Ca 0.24 -0.13 0.04 0.00 1.00 0.00 0.00 64.86 66.02 1fr6 h ILE 11 Cb 0.25 0.30 -0.04 0.00 -0.74 0.00 0.00 36.82 36.60 1fr6 h ILE 11 CO -0.24 0.01 0.05 0.58 0.00 0.00 0.00 178.15 178.55 1fr6 h VAL 12 N -1.03 0.85 -0.46 1.67 2.07 -1.48 0.37 116.25 118.24 1fr6 h VAL 12 Ca -0.10 -0.05 -0.09 0.00 0.82 0.00 0.00 66.70 67.29 1fr6 h VAL 12 Cb 0.74 0.69 -0.02 0.00 -1.52 0.00 0.00 31.29 31.18 1fr6 h VAL 12 CO 0.16 0.03 -0.05 -1.13 0.02 0.00 0.00 177.57 176.59 1fr6 h ASN 13 N 0.15 0.85 -0.10 0.57 -1.24 -1.21 -1.08 115.58 113.52 1fr6 h ASN 13 Ca 0.13 -0.33 0.02 0.00 0.71 0.00 0.00 56.30 56.84 1fr6 h ASN 13 Cb 0.15 -0.23 -0.02 0.00 0.73 0.00 0.00 38.32 38.94 1fr6 h ASN 13 CO -0.18 0.98 -0.05 0.03 -1.29 0.00 0.00 177.43 176.92 1fr6 h ARG 14 N 0.69 -0.04 0.04 6.67 2.47 0.49 -1.82 114.38 122.89 1fr6 h ARG 14 Ca 0.12 0.00 -0.00 0.00 -1.26 0.00 0.00 59.98 58.85 1fr6 h ARG 14 Cb 0.58 0.01 0.00 0.00 -1.65 0.00 0.00 29.97 28.90 1fr6 h ARG 14 CO 0.03 -0.02 -0.02 1.15 0.56 0.00 0.00 179.97 181.67 1fr6 h THR 15 N -0.04 1.31 -0.09 2.04 2.02 -0.17 -3.36 112.91 114.63 1fr6 h THR 15 Ca 0.06 -1.19 -0.14 0.00 0.77 0.00 0.00 66.41 65.90 1fr6 h THR 15 Cb 0.12 2.09 -0.01 0.00 -1.74 0.00 0.00 68.15 68.62 1fr6 h THR 15 CO -0.13 0.30 -0.58 0.40 0.37 0.00 0.00 175.52 175.88 1fr6 h ILE 16 N -0.58 1.37 -0.07 3.11 1.08 -1.27 -3.23 117.51 117.92 1fr6 h ILE 16 Ca -0.01 -1.90 0.01 0.00 -0.39 0.00 0.00 64.86 62.57 1fr6 h ILE 16 Cb 0.53 1.93 -0.01 0.00 -3.07 0.00 0.00 36.82 36.19 1fr6 h ILE 16 CO 0.01 0.57 -0.10 0.74 -0.69 0.00 0.00 178.15 178.67 1fr6 h THR 17 N 0.22 0.00 0.00 -0.27 2.02 -1.46 -1.32 112.91 112.10 1fr6 h THR 17 Ca -0.00 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.17 1fr6 h THR 17 Cb 1.08 0.00 -0.00 0.00 -1.74 0.00 0.00 68.15 67.48 1fr6 h THR 17 CO 0.09 0.00 -0.04 1.55 0.37 0.00 0.00 175.52 177.49 1fr6 h PRO 18 N -0.08 0.00 0.65 6.66 0.13 -1.75 -3.00 132.00 134.62 1fr6 h PRO 18 Ca 0.01 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 65.11 1fr6 h PRO 18 Cb 0.11 0.00 0.01 0.00 0.13 0.00 0.00 31.00 31.25 1fr6 h PRO 18 CO -0.10 0.04 -0.31 1.25 -0.23 0.00 0.00 178.00 178.65 1fr6 h LEU 19 N 0.00 -0.74 -0.91 1.56 6.46 -1.26 -1.65 115.31 118.76 1fr6 h LEU 19 Ca -0.00 0.03 0.25 0.00 -0.12 0.00 0.00 57.88 58.03 1fr6 h LEU 19 Cb 0.09 0.19 -0.14 0.00 -0.73 0.00 0.00 40.66 40.08 1fr6 h LEU 19 CO 0.01 -0.48 0.36 0.24 -0.62 0.00 0.00 178.44 177.95 1fr6 h MET 20 N -0.97 0.30 0.08 1.25 2.86 -1.49 0.84 114.93 117.80 1fr6 h MET 20 Ca -0.09 -0.02 0.02 0.00 -2.06 0.00 0.00 59.70 57.55 1fr6 h MET 20 Cb 0.67 -0.07 -0.03 0.00 0.06 0.00 0.00 31.60 32.23 1fr6 h MET 20 CO 0.15 0.20 -0.21 1.96 1.06 0.00 0.00 176.91 180.06 1fr6 h GLN 21 N 0.31 -0.37 0.00 1.72 1.08 -1.42 0.24 115.11 116.68 1fr6 h GLN 21 Ca 0.59 0.03 0.00 0.00 -1.45 0.00 0.00 58.65 57.82 1fr6 h GLN 21 Cb 1.20 0.08 0.00 0.00 -0.05 0.00 0.00 27.48 28.72 1fr6 h GLN 21 CO -0.60 -0.24 -1.11 -0.85 -0.95 0.00 0.00 178.83 175.08 1fr6 n GLU 22 N -5.34 0.44 0.00 1.46 0.28 -0.62 -3.69 120.64 113.17 1fr6 n GLU 22 Ca -0.06 0.02 0.12 0.00 -0.16 0.00 0.00 57.16 57.08 1fr6 n GLU 22 Cb 0.25 -1.67 0.20 0.00 1.43 0.00 0.00 31.44 31.66 1fr6 n GLU 22 CO 0.00 0.00 0.00 1.04 -0.16 0.00 0.00 177.13 178.01 1fr6 n GLN 23 N -2.24 0.70 -3.33 3.44 1.13 0.28 -4.97 117.38 112.39 1fr6 n GLN 23 Ca 0.01 -0.48 -0.16 0.00 -1.94 0.00 0.00 57.00 54.42 1fr6 n GLN 23 Cb 0.49 -1.49 0.08 0.00 0.11 0.00 0.00 30.24 29.43 1fr6 n GLN 23 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1fr6 n ALA 24 N -0.73 -1.74 -2.65 -1.58 0.00 0.41 -5.00 120.51 109.23 1fr6 n ALA 24 Ca 0.09 0.01 -0.38 0.00 0.00 0.00 0.00 53.44 53.17 1fr6 n ALA 24 Cb 0.38 -2.68 -0.06 0.00 0.00 0.00 0.00 19.45 17.08 1fr6 n ALA 24 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1fr6 s ILE 25 N -3.32 5.13 -0.03 0.00 1.01 0.56 -5.02 121.20 119.53 1fr6 s ILE 25 Ca 0.08 0.93 -0.25 0.00 0.00 0.00 0.00 60.65 61.41 1fr6 s ILE 25 Cb -0.04 -3.79 -0.19 0.00 0.01 0.00 0.00 42.46 38.45 1fr6 s ILE 25 CO 0.66 0.39 1.14 -0.65 0.00 0.00 0.00 174.94 176.48 1fr6 h PRO 26 N 6.18 -0.12 -3.83 2.79 0.11 -1.87 -3.44 132.00 131.81 1fr6 h PRO 26 Ca -0.44 0.01 -0.17 0.00 0.11 0.00 0.00 66.00 65.52 1fr6 h PRO 26 Cb 1.19 0.03 -0.21 0.00 0.11 0.00 0.00 31.00 32.11 1fr6 h PRO 26 CO 0.72 0.34 -0.64 0.20 -0.21 0.00 0.00 178.00 178.41 1fr6 s GLY 27 N -3.17 0.17 -0.01 -0.55 0.00 -1.18 -2.10 107.32 100.49 1fr6 s GLY 27 Ca -0.15 -0.43 -0.06 0.00 0.00 0.00 0.00 44.72 44.08 1fr6 s GLY 27 CO 0.60 -0.52 0.12 -0.29 0.00 0.00 0.00 173.10 173.01 1fr6 s MET 28 N -1.37 0.39 -0.08 2.90 1.75 0.18 -2.33 119.30 120.74 1fr6 s MET 28 Ca -0.15 -0.30 -0.02 0.00 -1.25 0.00 0.00 55.69 53.98 1fr6 s MET 28 Cb -0.09 0.16 0.03 0.00 2.84 0.00 0.00 34.83 37.78 1fr6 s MET 28 CO -0.00 -0.09 0.01 0.00 -0.65 0.00 0.00 175.02 174.30 1fr6 s ALA 29 N -1.08 0.65 0.00 4.11 0.00 0.54 -0.22 121.76 125.76 1fr6 s ALA 29 Ca -0.12 -0.13 0.03 0.00 0.00 0.00 0.00 51.96 51.74 1fr6 s ALA 29 Cb -0.06 -0.77 -0.01 0.00 0.00 0.00 0.00 23.12 22.28 1fr6 s ALA 29 CO 0.01 -0.53 -0.09 0.08 0.00 0.00 0.00 175.76 175.23 1fr6 s VAL 30 N 2.00 0.68 -0.01 0.00 1.01 -0.54 0.94 120.40 124.47 1fr6 s VAL 30 Ca 0.05 -0.50 0.02 0.00 0.00 0.00 0.00 61.98 61.54 1fr6 s VAL 30 Cb -0.13 -0.59 0.00 0.00 0.00 0.00 0.00 36.38 35.66 1fr6 s VAL 30 CO -0.05 0.10 -0.06 0.00 0.00 0.00 0.00 175.10 175.08 1fr6 s ALA 31 N -0.40 0.56 -0.05 5.51 0.00 0.18 -0.41 121.76 127.16 1fr6 s ALA 31 Ca 0.01 -0.23 0.05 0.00 0.00 0.00 0.00 51.96 51.80 1fr6 s ALA 31 Cb -0.04 -0.19 -0.02 0.00 0.00 0.00 0.00 23.12 22.87 1fr6 s ALA 31 CO -0.00 0.11 -0.21 0.42 0.00 0.00 0.00 175.76 176.07 1fr6 s ILE 32 N 0.06 2.41 -0.30 0.00 1.09 -0.68 -0.11 121.20 123.67 1fr6 s ILE 32 Ca -0.00 -0.95 0.03 0.00 -1.10 0.00 0.00 60.65 58.62 1fr6 s ILE 32 Cb -0.05 -1.90 0.07 0.00 -1.06 0.00 0.00 42.46 39.53 1fr6 s ILE 32 CO -0.00 0.58 -0.03 -0.63 -0.10 0.00 0.00 174.94 174.75 1fr6 s ILE 33 N -0.42 2.35 -0.43 2.92 1.01 -0.94 -0.45 121.20 125.25 1fr6 s ILE 33 Ca 0.04 -1.87 -0.01 0.00 0.00 0.00 0.00 60.65 58.81 1fr6 s ILE 33 Cb -0.12 -2.51 0.12 0.00 0.01 0.00 0.00 42.46 39.95 1fr6 s ILE 33 CO 0.02 -0.26 0.21 -0.47 0.00 0.00 0.00 174.94 174.43 1fr6 s TYR 34 N 1.05 3.58 -0.65 3.97 5.04 -0.73 -1.77 117.35 127.84 1fr6 s TYR 34 Ca -0.01 -2.62 -0.01 0.00 -2.44 0.00 0.00 57.07 51.98 1fr6 s TYR 34 Cb -0.20 -3.14 -0.01 0.00 0.35 0.00 0.00 41.96 38.96 1fr6 s TYR 34 CO -0.06 -0.94 0.55 1.04 -1.34 0.00 0.00 175.55 174.80 1fr6 n GLN 35 N 4.29 -3.06 -2.80 4.97 6.02 -1.18 -3.44 117.38 122.18 1fr6 n GLN 35 Ca 0.01 0.48 -0.12 0.00 -0.01 0.00 0.00 57.00 57.35 1fr6 n GLN 35 Cb 0.40 -4.26 -0.01 0.00 1.02 0.00 0.00 30.24 27.39 1fr6 n GLN 35 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1fr6 n GLY 36 N -1.15 -0.49 3.14 1.08 0.00 -0.66 -4.94 105.19 102.17 1fr6 n GLY 36 Ca -0.13 0.02 -0.31 0.00 0.00 0.00 0.00 46.02 45.60 1fr6 n GLY 36 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1fr6 s LYS 37 N -5.38 2.80 0.14 1.61 1.02 -1.22 -5.09 119.74 113.61 1fr6 s LYS 37 Ca 0.14 -0.78 -0.30 0.00 0.02 0.00 0.00 55.97 55.06 1fr6 s LYS 37 Cb -0.08 -2.27 -0.06 0.00 -0.52 0.00 0.00 37.83 34.90 1fr6 s LYS 37 CO 0.18 -0.01 0.96 -1.25 -0.92 0.00 0.00 175.35 174.30 1fr6 s PRO 38 N 0.81 4.73 -0.15 -1.68 0.05 -1.26 -1.77 135.00 135.72 1fr6 s PRO 38 Ca -0.08 1.46 -0.02 0.00 0.05 0.00 0.00 61.00 62.41 1fr6 s PRO 38 Cb -0.16 -3.36 0.05 0.00 0.05 0.00 0.00 34.50 31.08 1fr6 s PRO 38 CO -0.01 0.27 0.00 0.71 0.05 0.00 0.00 177.00 178.03 1fr6 s TYR 39 N -0.23 1.11 -0.13 0.56 2.02 0.40 -5.00 117.35 116.09 1fr6 s TYR 39 Ca 0.46 -0.73 -0.08 0.00 -0.37 0.00 0.00 57.07 56.35 1fr6 s TYR 39 Cb -0.24 -1.04 -0.04 0.00 -0.40 0.00 0.00 41.96 40.24 1fr6 s TYR 39 CO 0.30 -0.53 0.15 0.71 -1.57 0.00 0.00 175.55 174.61 1fr6 s TYR 40 N 1.83 3.57 0.03 2.71 1.51 -1.26 -1.69 117.35 124.05 1fr6 s TYR 40 Ca 0.01 0.52 0.03 0.00 -1.01 0.00 0.00 57.07 56.62 1fr6 s TYR 40 Cb -0.15 -2.00 -0.02 0.00 -0.11 0.00 0.00 41.96 39.68 1fr6 s TYR 40 CO -0.07 0.66 -0.09 -0.06 -1.11 0.00 0.00 175.55 174.88 1fr6 s PHE 41 N -0.79 0.78 -0.15 2.71 0.40 0.45 -5.02 117.98 116.36 1fr6 s PHE 41 Ca 0.14 -0.35 -0.09 0.00 -0.60 0.00 0.00 56.93 56.04 1fr6 s PHE 41 Cb -0.12 -0.47 0.05 0.00 0.51 0.00 0.00 43.02 42.99 1fr6 s PHE 41 CO 0.03 -0.03 0.37 0.95 0.70 0.00 0.00 175.22 177.24 1fr6 s THR 42 N -0.90 -0.03 0.02 0.64 -4.23 -1.26 -1.47 115.64 108.42 1fr6 s THR 42 Ca -0.03 0.09 0.05 0.00 -1.18 0.00 0.00 61.69 60.61 1fr6 s THR 42 Cb -0.07 -0.54 -0.02 0.00 1.34 0.00 0.00 72.50 73.21 1fr6 s THR 42 CO 0.01 0.04 -0.14 0.26 -0.54 0.00 0.00 174.62 174.25 1fr6 s TRP 43 N 1.19 1.20 0.00 3.99 0.51 0.69 -4.97 118.94 121.54 1fr6 s TRP 43 Ca -0.08 -0.31 0.00 0.00 -2.12 0.00 0.00 56.10 53.59 1fr6 s TRP 43 Cb -0.08 -0.73 0.00 0.00 -0.81 0.00 0.00 33.47 31.85 1fr6 s TRP 43 CO -0.10 0.01 0.00 0.41 -0.51 0.00 0.00 176.95 176.77 1fr6 n GLY 44 N 2.21 -0.48 3.33 0.98 0.00 -1.26 0.47 105.19 110.44 1fr6 n GLY 44 Ca -0.17 -1.10 -0.21 0.00 0.00 0.00 0.00 46.02 44.54 1fr6 n GLY 44 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1fr6 s LYS 45 N 0.00 1.26 0.03 1.61 0.00 -0.89 -0.55 119.74 121.19 1fr6 s LYS 45 Ca 0.00 -1.41 0.14 0.00 0.00 0.00 0.00 55.97 54.69 1fr6 s LYS 45 Cb 0.00 -1.26 -0.18 0.00 0.00 0.00 0.00 37.83 36.39 1fr6 s LYS 45 CO 0.00 0.25 0.83 0.00 0.00 0.00 0.00 175.35 176.43 1fr6 h ALA 46 N 3.19 0.69 -2.70 0.59 0.00 -1.08 -3.12 119.26 116.82 1fr6 h ALA 46 Ca -0.41 -1.13 -0.56 0.00 0.00 0.00 0.00 54.91 52.80 1fr6 h ALA 46 Cb 1.21 0.32 -0.39 0.00 0.00 0.00 0.00 17.79 18.92 1fr6 h ALA 46 CO 0.52 1.26 -0.81 0.34 0.00 0.00 0.00 179.25 180.56 1fr6 s ASP 47 N -6.06 3.25 0.01 0.00 3.68 -0.44 -1.46 116.67 115.65 1fr6 s ASP 47 Ca -0.03 -1.80 -0.02 0.00 2.13 0.00 0.00 52.55 52.83 1fr6 s ASP 47 Cb 0.08 -0.41 -0.00 0.00 -1.45 0.00 0.00 42.92 41.14 1fr6 s ASP 47 CO 0.82 -0.37 1.03 0.40 0.13 0.00 0.00 175.17 177.17 1fr6 h ILE 48 N 5.65 0.00 -0.54 4.11 2.04 -1.83 -1.62 117.51 125.31 1fr6 h ILE 48 Ca -0.06 0.00 0.11 0.00 1.00 0.00 0.00 64.86 65.91 1fr6 h ILE 48 Cb 0.99 0.00 -0.11 0.00 -0.74 0.00 0.00 36.82 36.96 1fr6 h ILE 48 CO 0.35 0.00 -0.22 0.00 0.00 0.00 0.00 178.15 178.28 1fr6 h ALA 49 N -1.13 0.19 -0.44 1.87 0.00 -1.96 -2.51 119.26 115.28 1fr6 h ALA 49 Ca 0.00 0.19 -0.11 0.00 0.00 0.00 0.00 54.91 55.00 1fr6 h ALA 49 Cb 0.03 0.56 -0.06 0.00 0.00 0.00 0.00 17.79 18.31 1fr6 h ALA 49 CO -0.03 -0.54 0.14 0.09 0.00 0.00 0.00 179.25 178.91 1fr6 n ASN 50 N -5.42 3.75 -3.73 0.00 3.02 -1.11 -4.95 115.26 106.81 1fr6 n ASN 50 Ca 0.05 -2.71 -0.22 0.00 -0.03 0.00 0.00 54.58 51.68 1fr6 n ASN 50 Cb 0.33 -0.65 0.01 0.00 -0.61 0.00 0.00 39.78 38.86 1fr6 n ASN 50 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 1fr6 n ASN 51 N 0.08 -2.17 -4.16 6.41 5.15 -0.64 -4.94 115.26 114.99 1fr6 n ASN 51 Ca 0.24 -0.63 -0.30 0.00 -0.60 0.00 0.00 54.58 53.28 1fr6 n ASN 51 Cb 0.96 -0.81 -0.17 0.00 -0.53 0.00 0.00 39.78 39.24 1fr6 n ASN 51 CO 0.00 0.00 0.00 -0.13 1.40 0.00 0.00 177.26 178.53 1fr6 s ARG 52 N -5.61 2.69 0.69 1.20 0.52 -1.04 -5.03 118.95 112.37 1fr6 s ARG 52 Ca 0.19 -0.75 -0.05 0.00 -0.52 0.00 0.00 55.73 54.61 1fr6 s ARG 52 Cb -0.11 -2.10 0.07 0.00 0.52 0.00 0.00 34.95 33.33 1fr6 s ARG 52 CO 0.49 0.09 0.98 -1.25 0.02 0.00 0.00 175.30 175.63 1fr6 s PRO 53 N 0.55 2.08 -0.17 3.54 0.04 -1.26 -0.78 135.00 139.00 1fr6 s PRO 53 Ca -0.15 -0.51 -0.29 0.00 0.04 0.00 0.00 61.00 60.09 1fr6 s PRO 53 Cb -0.17 -2.24 -0.02 0.00 0.04 0.00 0.00 34.50 32.12 1fr6 s PRO 53 CO 0.05 -1.24 1.32 0.08 0.04 0.00 0.00 177.00 177.25 1fr6 s VAL 54 N -3.17 4.18 0.32 -0.36 1.01 0.29 -3.95 120.40 118.71 1fr6 s VAL 54 Ca 0.61 1.42 0.08 0.00 0.00 0.00 0.00 61.98 64.09 1fr6 s VAL 54 Cb -0.09 -3.95 -0.04 0.00 0.00 0.00 0.00 36.38 32.29 1fr6 s VAL 54 CO 0.44 -0.17 0.15 -0.89 0.00 0.00 0.00 175.10 174.63 1fr6 s THR 55 N 3.70 3.30 -2.00 3.92 2.01 -1.26 -4.67 115.64 120.63 1fr6 s THR 55 Ca 0.57 -1.65 0.08 0.00 0.31 0.00 0.00 61.69 60.99 1fr6 s THR 55 Cb -0.22 -3.03 0.22 0.00 0.01 0.00 0.00 72.50 69.48 1fr6 s THR 55 CO 0.17 -0.23 1.23 0.00 -0.69 0.00 0.00 174.62 175.11 1fr6 n GLN 56 N -1.15 0.92 0.00 4.92 6.02 -1.26 -2.23 117.38 124.60 1fr6 n GLN 56 Ca -0.04 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.95 1fr6 n GLN 56 Cb 0.60 -1.13 0.00 0.00 1.02 0.00 0.00 30.24 30.73 1fr6 n GLN 56 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 177.06 177.09 1fr6 n GLN 57 N -0.63 5.34 -1.74 -1.09 3.00 -1.26 -3.79 117.38 117.21 1fr6 n GLN 57 Ca 0.06 0.00 -0.42 0.00 -0.01 0.00 0.00 57.00 56.63 1fr6 n GLN 57 Cb 0.03 -0.48 -0.01 0.00 0.00 0.00 0.00 30.24 29.77 1fr6 n GLN 57 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.06 179.47 1fr6 n THR 58 N -0.90 1.53 -3.45 5.09 -1.04 -0.95 -4.81 114.28 109.75 1fr6 n THR 58 Ca 0.00 -0.38 -0.37 0.00 -2.04 0.00 0.00 64.05 61.25 1fr6 n THR 58 Cb 0.00 -1.85 -0.07 0.00 -1.82 0.00 0.00 70.33 66.59 1fr6 n THR 58 CO 0.00 0.00 0.00 -0.76 -0.64 0.00 0.00 175.07 173.67 1fr6 s LEU 59 N -1.07 4.20 0.03 -4.42 1.43 0.33 -4.07 118.68 115.12 1fr6 s LEU 59 Ca 0.59 0.53 0.08 0.00 -1.03 0.00 0.00 54.13 54.29 1fr6 s LEU 59 Cb -0.52 -2.46 -0.03 0.00 0.03 0.00 0.00 46.19 43.22 1fr6 s LEU 59 CO 0.57 0.01 -0.22 -0.36 0.23 0.00 0.00 176.35 176.58 1fr6 s PHE 60 N 0.88 2.45 -0.01 0.29 0.08 0.27 -2.30 117.98 119.63 1fr6 s PHE 60 Ca 0.18 -0.33 -0.30 0.00 0.12 0.00 0.00 56.93 56.60 1fr6 s PHE 60 Cb -0.14 -1.45 -0.04 0.00 -0.57 0.00 0.00 43.02 40.82 1fr6 s PHE 60 CO 0.06 0.17 1.17 -1.21 -0.10 0.00 0.00 175.22 175.32 1fr6 s GLU 61 N -1.25 4.40 0.00 0.44 2.02 -1.26 -1.09 118.70 121.96 1fr6 s GLU 61 Ca 0.13 1.67 0.28 0.00 0.02 0.00 0.00 54.97 57.07 1fr6 s GLU 61 Cb -0.10 -3.48 1.11 0.00 0.10 0.00 0.00 34.13 31.76 1fr6 s GLU 61 CO 0.03 -0.34 1.78 1.28 0.02 0.00 0.00 175.26 178.04 1fr6 n LEU 62 N 4.64 0.77 0.00 1.80 4.77 -0.24 -4.76 117.00 123.98 1fr6 n LEU 62 Ca 0.10 -0.15 0.00 0.00 -0.03 0.00 0.00 56.01 55.92 1fr6 n LEU 62 Cb 0.47 -0.12 0.00 0.00 -2.33 0.00 0.00 43.42 41.44 1fr6 n LEU 62 CO 0.55 0.14 0.00 0.61 -1.33 0.00 0.00 177.39 177.36 1fr6 n GLY 63 N 1.26 2.97 0.00 -0.72 0.00 -1.25 -0.26 105.19 107.20 1fr6 n GLY 63 Ca 0.15 -0.16 0.06 0.00 0.00 0.00 0.00 46.02 46.07 1fr6 n GLY 63 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1fr6 n SER 64 N 2.38 0.00 0.25 1.61 7.64 -1.25 -2.03 113.62 122.21 1fr6 n SER 64 Ca 0.00 -0.60 0.15 0.00 1.01 0.00 0.00 58.87 59.43 1fr6 n SER 64 Cb 0.00 0.00 0.49 0.00 -1.01 0.00 0.00 64.21 63.69 1fr6 n SER 64 CO 0.00 0.00 0.00 0.58 -3.01 0.00 0.00 175.04 172.61 1fr6 h VAL 65 N 0.00 0.07 -0.81 0.44 2.07 -0.70 -1.95 116.25 115.38 1fr6 h VAL 65 Ca 0.00 -0.76 0.20 0.00 0.82 0.00 0.00 66.70 66.96 1fr6 h VAL 65 Cb 0.00 1.71 -0.13 0.00 -1.52 0.00 0.00 31.29 31.34 1fr6 h VAL 65 CO 0.00 0.03 0.14 0.28 0.02 0.00 0.00 177.57 178.04 1fr6 h SER 66 N 0.00 -0.12 -1.16 0.57 0.02 -1.54 0.10 113.55 111.41 1fr6 h SER 66 Ca -0.00 0.19 0.33 0.00 -0.84 0.00 0.00 61.79 61.47 1fr6 h SER 66 Cb 0.70 0.28 -0.10 0.00 0.14 0.00 0.00 62.40 63.43 1fr6 h SER 66 CO 0.00 -0.14 0.77 0.11 -1.14 0.00 0.00 176.83 176.43 1fr6 h LYS 67 N 0.19 0.23 -0.90 3.45 1.57 -1.42 -0.66 116.57 119.02 1fr6 h LYS 67 Ca 0.47 -0.01 0.07 0.00 -1.87 0.00 0.00 60.65 59.31 1fr6 h LYS 67 Cb 0.88 -0.05 -0.06 0.00 0.08 0.00 0.00 32.23 33.08 1fr6 h LYS 67 CO -0.63 0.15 0.57 1.79 -0.57 0.00 0.00 179.45 180.76 1fr6 h THR 68 N 0.24 1.04 -0.31 -0.16 1.35 -1.00 -0.64 112.91 113.43 1fr6 h THR 68 Ca 0.66 -0.35 -0.00 0.00 -0.55 0.00 0.00 66.41 66.17 1fr6 h THR 68 Cb 1.98 -0.07 -0.01 0.00 -1.73 0.00 0.00 68.15 68.32 1fr6 h THR 68 CO -0.28 0.19 0.18 -0.26 -0.25 0.00 0.00 175.52 175.10 1fr6 h PHE 69 N 1.02 0.41 -0.20 4.73 0.04 -1.25 -1.19 116.94 120.50 1fr6 h PHE 69 Ca 0.40 -0.00 0.03 0.00 2.80 0.00 0.00 57.97 61.20 1fr6 h PHE 69 Cb 0.20 -0.13 -0.03 0.00 2.20 0.00 0.00 35.95 38.18 1fr6 h PHE 69 CO -0.02 0.31 -0.02 -0.97 -0.60 0.00 0.00 178.31 177.01 1fr6 h ASN 70 N 0.39 -0.11 -0.27 2.17 -0.73 -1.37 0.10 115.58 115.76 1fr6 h ASN 70 Ca 0.11 0.05 -0.10 0.00 1.87 0.00 0.00 56.30 58.23 1fr6 h ASN 70 Cb 0.02 0.09 -0.02 0.00 0.27 0.00 0.00 38.32 38.68 1fr6 h ASN 70 CO -0.02 -0.03 -0.16 1.23 -0.37 0.00 0.00 177.43 178.08 1fr6 h GLY 71 N 0.04 0.76 1.41 1.57 0.00 -0.97 0.16 103.07 106.05 1fr6 h GLY 71 Ca 0.09 -0.60 -0.23 0.00 0.00 0.00 0.00 47.33 46.59 1fr6 h GLY 71 CO -0.17 0.55 -0.91 -2.08 0.00 0.00 0.00 176.54 173.93 1fr6 h VAL 72 N 0.63 1.35 -0.36 4.60 2.07 -0.87 -1.60 116.25 122.07 1fr6 h VAL 72 Ca 0.10 -2.28 -0.00 0.00 0.82 0.00 0.00 66.70 65.34 1fr6 h VAL 72 Cb 0.63 2.30 -0.02 0.00 -1.52 0.00 0.00 31.29 32.68 1fr6 h VAL 72 CO 0.04 0.69 0.21 0.25 0.02 0.00 0.00 177.57 178.79 1fr6 h LEU 73 N 0.33 0.44 -1.26 2.57 5.85 -0.69 0.94 115.31 123.48 1fr6 h LEU 73 Ca -0.08 -0.07 -0.07 0.00 0.84 0.00 0.00 57.88 58.50 1fr6 h LEU 73 Cb 1.54 -0.11 -0.01 0.00 0.37 0.00 0.00 40.66 42.45 1fr6 h LEU 73 CO 0.17 0.38 -0.24 1.23 -0.34 0.00 0.00 178.44 179.64 1fr6 h GLY 74 N 0.47 0.22 1.50 3.75 0.00 -0.59 -2.62 103.07 105.80 1fr6 h GLY 74 Ca 0.13 -0.16 -0.15 0.00 0.00 0.00 0.00 47.33 47.15 1fr6 h GLY 74 CO -0.02 0.14 -0.53 -1.33 0.00 0.00 0.00 176.54 174.80 1fr6 h GLY 75 N 0.91 0.57 0.83 4.60 0.00 -0.45 -0.78 103.07 108.75 1fr6 h GLY 75 Ca 0.03 -0.65 -0.03 0.00 0.00 0.00 0.00 47.33 46.68 1fr6 h GLY 75 CO 0.04 0.59 -0.27 -1.80 0.00 0.00 0.00 176.54 175.09 1fr6 h ASP 76 N 0.41 -0.64 -0.91 0.19 1.82 -0.61 -0.82 116.42 115.86 1fr6 h ASP 76 Ca 0.01 -0.04 0.21 0.00 -0.39 0.00 0.00 57.03 56.82 1fr6 h ASP 76 Cb 1.06 0.17 -0.07 0.00 0.68 0.00 0.00 39.33 41.17 1fr6 h ASP 76 CO 0.10 -0.34 0.60 0.00 -1.61 0.00 0.00 179.24 177.99 1fr6 h ALA 77 N -0.61 2.25 0.11 -0.78 0.00 -1.44 -0.40 119.26 118.39 1fr6 h ALA 77 Ca -0.08 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.84 1fr6 h ALA 77 Cb 0.64 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.41 1fr6 h ALA 77 CO 0.13 -0.54 -0.05 0.82 0.00 0.00 0.00 179.25 179.61 1fr6 h ILE 78 N 0.38 1.08 -0.92 0.00 2.04 -0.82 -1.21 117.51 118.06 1fr6 h ILE 78 Ca 0.47 -0.87 0.13 0.00 1.00 0.00 0.00 64.86 65.60 1fr6 h ILE 78 Cb 1.22 1.61 -0.09 0.00 -0.74 0.00 0.00 36.82 38.82 1fr6 h ILE 78 CO -0.17 0.20 0.54 0.00 0.00 0.00 0.00 178.15 178.72 1fr6 h ALA 79 N 0.24 1.39 0.00 1.87 0.00 0.36 0.52 119.26 123.64 1fr6 h ALA 79 Ca -0.02 0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1fr6 h ALA 79 Cb 0.45 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.13 1fr6 h ALA 79 CO 0.03 0.06 0.00 0.54 0.00 0.00 0.00 179.25 179.88 1fr6 n ARG 80 N -4.74 0.26 -2.12 0.00 1.74 -0.47 -4.84 116.66 106.49 1fr6 n ARG 80 Ca 0.18 0.12 -0.11 0.00 -0.77 0.00 0.00 57.85 57.27 1fr6 n ARG 80 Cb 0.39 -1.50 -0.01 0.00 -1.02 0.00 0.00 32.46 30.33 1fr6 n ARG 80 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1fr6 n GLY 81 N -0.12 0.04 0.11 -0.13 0.00 0.18 -4.94 105.19 100.34 1fr6 n GLY 81 Ca 0.08 -0.44 -0.17 0.00 0.00 0.00 0.00 46.02 45.48 1fr6 n GLY 81 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1fr6 h GLU 82 N 0.00 0.27 -4.81 1.61 5.08 -1.36 -3.48 114.58 111.90 1fr6 h GLU 82 Ca -0.25 -0.47 -0.34 0.00 -1.00 0.00 0.00 59.36 57.29 1fr6 h GLU 82 Cb 1.15 0.17 -0.14 0.00 0.50 0.00 0.00 28.75 30.43 1fr6 h GLU 82 CO 0.31 1.16 -0.59 0.96 -1.00 0.00 0.00 179.01 179.84 1fr6 s ILE 83 N -2.62 0.33 -0.05 3.13 -4.36 -1.22 -4.88 121.20 111.53 1fr6 s ILE 83 Ca -0.08 -2.00 -0.02 0.00 -0.26 0.00 0.00 60.65 58.29 1fr6 s ILE 83 Cb 0.07 -2.56 0.04 0.00 1.25 0.00 0.00 42.46 41.25 1fr6 s ILE 83 CO 0.86 0.00 0.09 -0.54 0.24 0.00 0.00 174.94 175.59 1fr6 s LYS 84 N -3.98 -0.02 0.30 0.37 1.02 -1.26 -4.53 119.74 111.64 1fr6 s LYS 84 Ca 0.38 0.37 0.05 0.00 0.02 0.00 0.00 55.97 56.79 1fr6 s LYS 84 Cb 0.07 -0.34 0.81 0.00 -0.52 0.00 0.00 37.83 37.85 1fr6 s LYS 84 CO 0.15 -0.26 1.64 -0.07 -0.92 0.00 0.00 175.35 175.89 1fr6 h LEU 85 N 7.93 0.07 -1.18 3.17 3.38 -1.98 0.25 115.31 126.96 1fr6 h LEU 85 Ca -0.26 0.20 0.00 0.00 0.09 0.00 0.00 57.88 57.91 1fr6 h LEU 85 Cb 1.12 0.26 0.00 0.00 0.09 0.00 0.00 40.66 42.13 1fr6 h LEU 85 CO 0.28 -0.18 0.00 0.77 0.09 0.00 0.00 178.44 179.40 1fr6 h SER 86 N 0.21 0.00 -2.31 -0.43 4.64 -1.96 0.35 113.55 114.05 1fr6 h SER 86 Ca 0.60 0.00 -0.61 0.00 -0.47 0.00 0.00 61.79 61.31 1fr6 h SER 86 Cb 1.27 0.00 0.07 0.00 -0.31 0.00 0.00 62.40 63.43 1fr6 h SER 86 CO -0.67 0.00 0.57 0.47 -0.87 0.00 0.00 176.83 176.33 1fr6 n ASP 87 N -2.38 2.43 -4.77 4.97 8.00 0.86 -4.50 116.55 121.16 1fr6 n ASP 87 Ca 0.00 1.12 -0.41 0.00 0.71 0.00 0.00 54.79 56.22 1fr6 n ASP 87 Cb 0.16 -1.36 -0.01 0.00 -0.02 0.00 0.00 41.12 39.89 1fr6 n ASP 87 CO 0.00 0.00 0.00 -2.84 -0.39 0.00 0.00 177.20 173.97 1fr6 s PRO 88 N 0.04 4.21 0.53 -0.24 0.02 -1.26 -0.67 135.00 137.62 1fr6 s PRO 88 Ca 0.74 2.43 0.18 0.00 0.02 0.00 0.00 61.00 64.36 1fr6 s PRO 88 Cb -0.73 -3.02 1.33 0.00 0.02 0.00 0.00 34.50 32.10 1fr6 s PRO 88 CO 0.47 -0.41 2.16 0.28 -0.33 0.00 0.00 177.00 179.17 1fr6 h VAL 89 N 3.06 0.95 -0.36 3.83 2.07 -1.67 -1.64 116.25 122.48 1fr6 h VAL 89 Ca -0.50 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 66.99 1fr6 h VAL 89 Cb 1.23 0.99 -0.02 0.00 -1.52 0.00 0.00 31.29 31.98 1fr6 h VAL 89 CO 0.66 0.00 0.11 0.00 0.02 0.00 0.00 177.57 178.36 1fr6 h THR 90 N 0.00 1.21 -1.00 2.57 1.03 -1.83 -2.81 112.91 112.08 1fr6 h THR 90 Ca 0.01 -0.70 0.34 0.00 -0.01 0.00 0.00 66.41 66.05 1fr6 h THR 90 Cb 0.02 0.98 -0.16 0.00 -1.07 0.00 0.00 68.15 67.93 1fr6 h THR 90 CO -0.00 0.24 0.56 -0.61 -0.01 0.00 0.00 175.52 175.70 1fr6 h GLN 91 N 0.44 0.25 0.00 0.00 4.15 -1.66 0.14 115.11 118.43 1fr6 h GLN 91 Ca 0.12 -0.02 0.00 0.00 0.77 0.00 0.00 58.65 59.52 1fr6 h GLN 91 Cb 0.26 -0.06 0.00 0.00 0.21 0.00 0.00 27.48 27.90 1fr6 h GLN 91 CO -0.00 0.17 -0.82 1.88 -1.93 0.00 0.00 178.83 178.12 1fr6 h TYR 92 N 0.26 0.00 -1.72 3.99 0.05 -1.64 -3.41 116.97 114.50 1fr6 h TYR 92 Ca 0.76 0.00 -0.40 0.00 0.05 0.00 0.00 58.73 59.14 1fr6 h TYR 92 Cb 1.79 0.00 -0.28 0.00 1.01 0.00 0.00 36.73 39.24 1fr6 h TYR 92 CO -0.01 0.00 -0.77 1.87 -1.05 0.00 0.00 178.16 178.19 1fr6 n TRP 93 N -2.39 -2.17 0.01 4.88 -0.00 0.40 -5.00 117.44 113.18 1fr6 n TRP 93 Ca 0.02 -2.48 0.00 0.00 -0.00 0.00 0.00 57.50 55.03 1fr6 n TRP 93 Cb 0.49 0.77 0.30 0.00 -0.00 0.00 0.00 31.31 32.88 1fr6 n TRP 93 CO 0.00 0.00 0.00 -1.35 -0.00 0.00 0.00 177.69 176.34 1fr6 h PRO 94 N 5.25 0.50 -0.42 5.87 0.11 -1.52 -2.92 132.00 138.88 1fr6 h PRO 94 Ca 0.16 -0.11 0.12 0.00 0.11 0.00 0.00 66.00 66.29 1fr6 h PRO 94 Cb 0.99 -0.07 -0.02 0.00 0.11 0.00 0.00 31.00 32.01 1fr6 h PRO 94 CO 0.23 0.54 0.37 1.49 -0.21 0.00 0.00 178.00 180.42 1fr6 h GLU 95 N 0.48 0.00 -4.75 1.05 4.57 -1.95 -3.34 114.58 110.65 1fr6 h GLU 95 Ca 0.10 0.00 -0.67 0.00 -1.18 0.00 0.00 59.36 57.61 1fr6 h GLU 95 Cb 0.33 0.00 -0.04 0.00 -0.16 0.00 0.00 28.75 28.88 1fr6 h GLU 95 CO 0.01 0.00 2.63 -0.11 -1.18 0.00 0.00 179.01 180.36 1fr6 n LEU 96 N -3.99 5.73 -4.78 1.64 7.94 -1.10 -4.98 117.00 117.47 1fr6 n LEU 96 Ca 0.07 -3.89 -0.35 0.00 -1.11 0.00 0.00 56.01 50.73 1fr6 n LEU 96 Cb 0.56 -1.64 -0.01 0.00 0.53 0.00 0.00 43.42 42.86 1fr6 n LEU 96 CO 0.31 0.47 0.78 -0.89 -1.11 0.00 0.00 177.39 176.96 1fr6 s THR 97 N 4.18 3.28 0.00 1.96 2.01 -1.26 -4.92 115.64 120.90 1fr6 s THR 97 Ca 0.52 0.85 0.00 0.00 0.31 0.00 0.00 61.69 63.36 1fr6 s THR 97 Cb 0.10 -3.37 0.00 0.00 0.01 0.00 0.00 72.50 69.24 1fr6 s THR 97 CO 0.00 -0.12 0.00 0.61 -0.69 0.00 0.00 174.62 174.42 1fr6 n GLY 98 N 0.18 3.11 0.11 4.40 0.00 -1.26 -4.78 105.19 106.94 1fr6 n GLY 98 Ca 0.10 -1.03 0.03 0.00 0.00 0.00 0.00 46.02 45.11 1fr6 n GLY 98 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1fr6 n LYS 99 N 0.08 0.04 0.22 1.61 4.76 -1.26 -1.37 118.16 122.24 1fr6 n LYS 99 Ca 0.00 0.42 0.10 0.00 -2.87 0.00 0.00 58.31 55.96 1fr6 n LYS 99 Cb 0.00 -2.08 0.45 0.00 -1.84 0.00 0.00 35.03 31.56 1fr6 n LYS 99 CO 0.00 0.00 0.00 -0.56 -1.37 0.00 0.00 177.40 175.47 1fr6 h GLN 100 N 0.00 0.00 0.00 1.97 -0.00 -1.92 -3.23 115.11 111.92 1fr6 h GLN 100 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.65 1fr6 h GLN 100 Cb 0.91 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 28.39 1fr6 h GLN 100 CO 0.00 0.21 -0.94 -1.49 -0.00 0.00 0.00 178.83 176.61 1fr6 h TRP 101 N 0.00 0.00 -0.48 0.06 4.06 -1.60 -3.42 115.95 114.56 1fr6 h TRP 101 Ca -0.00 0.00 0.10 0.00 2.06 0.00 0.00 58.89 61.04 1fr6 h TRP 101 Cb 0.76 0.00 -0.10 0.00 -1.00 0.00 0.00 29.16 28.82 1fr6 h TRP 101 CO 0.00 0.00 -0.26 1.96 -3.56 0.00 0.00 178.44 176.58 1fr6 h GLN 102 N 0.00 -0.15 -0.51 0.49 4.20 -1.72 -2.81 115.11 114.61 1fr6 h GLN 102 Ca 0.00 0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.72 1fr6 h GLN 102 Cb 0.97 0.03 0.00 0.00 0.30 0.00 0.00 27.48 28.78 1fr6 h GLN 102 CO 0.00 -0.10 0.00 0.41 -0.67 0.00 0.00 178.83 178.47 1fr6 n GLY 103 N -1.42 1.23 3.46 3.46 0.00 -1.26 -4.82 105.19 105.84 1fr6 n GLY 103 Ca 0.03 -0.43 -0.43 0.00 0.00 0.00 0.00 46.02 45.19 1fr6 n GLY 103 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1fr6 s ILE 104 N -1.62 5.07 0.61 -0.61 1.01 -1.06 -4.91 121.20 119.69 1fr6 s ILE 104 Ca 0.26 -0.52 0.04 0.00 0.00 0.00 0.00 60.65 60.43 1fr6 s ILE 104 Cb 0.16 -4.11 0.11 0.00 0.01 0.00 0.00 42.46 38.63 1fr6 s ILE 104 CO 0.14 -0.53 0.84 -1.54 0.00 0.00 0.00 174.94 173.85 1fr6 n SER 105 N 5.65 1.57 0.11 3.58 3.41 -1.26 -1.97 113.62 124.70 1fr6 n SER 105 Ca -0.08 -2.22 -0.01 0.00 -0.26 0.00 0.00 58.87 56.30 1fr6 n SER 105 Cb 0.46 -0.51 0.25 0.00 -0.26 0.00 0.00 64.21 64.16 1fr6 n SER 105 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 1fr6 h LEU 106 N 0.00 0.20 -0.50 1.04 3.38 0.19 -2.69 115.31 116.93 1fr6 h LEU 106 Ca -0.28 -0.08 -0.00 0.00 0.09 0.00 0.00 57.88 57.61 1fr6 h LEU 106 Cb 1.14 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 41.81 1fr6 h LEU 106 CO 0.34 0.58 0.30 0.25 0.09 0.00 0.00 178.44 180.01 1fr6 h LEU 107 N 0.17 0.59 -0.29 1.67 5.85 -1.26 -0.20 115.31 121.85 1fr6 h LEU 107 Ca 0.02 -0.05 0.06 0.00 0.84 0.00 0.00 57.88 58.75 1fr6 h LEU 107 Cb 0.76 -0.15 -0.07 0.00 0.37 0.00 0.00 40.66 41.58 1fr6 h LEU 107 CO 0.06 0.47 -0.15 0.45 -0.34 0.00 0.00 178.44 178.93 1fr6 h HIS 108 N 0.67 -0.38 0.54 1.25 3.86 -1.77 0.64 115.15 119.96 1fr6 h HIS 108 Ca 0.18 0.03 -0.03 0.00 -1.16 0.00 0.00 60.37 59.40 1fr6 h HIS 108 Cb -0.02 0.21 0.01 0.00 1.06 0.00 0.00 27.41 28.67 1fr6 h HIS 108 CO -0.03 -0.23 -0.26 -0.07 0.86 0.00 0.00 177.93 178.20 1fr6 h LEU 109 N -0.12 -0.61 -0.90 2.43 3.38 -1.49 -1.56 115.31 116.44 1fr6 h LEU 109 Ca 0.15 0.02 0.09 0.00 0.09 0.00 0.00 57.88 58.24 1fr6 h LEU 109 Cb 0.35 0.16 -0.12 0.00 0.09 0.00 0.00 40.66 41.14 1fr6 h LEU 109 CO -0.36 -0.43 -0.55 0.00 0.09 0.00 0.00 178.44 177.19 1fr6 h ALA 110 N -1.65 -0.47 -0.23 1.53 0.00 -0.88 -2.78 119.26 114.78 1fr6 h ALA 110 Ca -0.07 0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.96 1fr6 h ALA 110 Cb 0.56 1.27 0.00 0.00 0.00 0.00 0.00 17.79 19.62 1fr6 h ALA 110 CO 0.12 -0.93 0.00 0.25 0.00 0.00 0.00 179.25 178.70 1fr6 n THR 111 N -5.31 0.99 -2.41 0.00 -2.24 0.20 -4.44 114.28 101.09 1fr6 n THR 111 Ca 0.02 -0.52 -0.16 0.00 -2.27 0.00 0.00 64.05 61.12 1fr6 n THR 111 Cb 0.29 -0.35 -0.01 0.00 -2.10 0.00 0.00 70.33 68.17 1fr6 n THR 111 CO 0.00 0.00 0.00 -1.22 -0.57 0.00 0.00 175.07 173.28 1fr6 n TYR 112 N 0.25 -1.21 -2.14 4.78 4.01 -0.67 -4.87 117.16 117.32 1fr6 n TYR 112 Ca 0.11 0.00 -0.25 0.00 -0.16 0.00 0.00 57.90 57.60 1fr6 n TYR 112 Cb 0.58 -3.32 0.02 0.00 -0.31 0.00 0.00 39.34 36.30 1fr6 n TYR 112 CO 0.00 0.00 0.00 0.25 -0.46 0.00 0.00 176.86 176.65 1fr6 n THR 113 N -3.65 2.50 0.06 -0.72 -2.24 -0.72 -1.51 114.28 108.00 1fr6 n THR 113 Ca -0.19 -4.41 -0.15 0.00 -2.27 0.00 0.00 64.05 57.03 1fr6 n THR 113 Cb 0.65 -1.18 -0.14 0.00 -2.10 0.00 0.00 70.33 67.56 1fr6 n THR 113 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1fr6 h ALA 114 N 2.29 0.29 0.00 6.98 0.00 -1.82 -2.79 119.26 124.21 1fr6 h ALA 114 Ca 0.35 -1.07 0.00 0.00 0.00 0.00 0.00 54.91 54.19 1fr6 h ALA 114 Cb 1.36 0.19 0.00 0.00 0.00 0.00 0.00 17.79 19.33 1fr6 h ALA 114 CO 0.80 1.16 0.00 0.41 0.00 0.00 0.00 179.25 181.61 1fr6 n GLY 115 N 1.59 0.00 0.81 0.00 0.00 -1.26 -3.90 105.19 102.43 1fr6 n GLY 115 Ca -0.13 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.89 1fr6 n GLY 115 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1fr6 n GLY 116 N 0.00 0.55 3.81 -0.02 0.00 -1.26 0.83 105.19 109.10 1fr6 n GLY 116 Ca 0.00 -0.49 -0.36 0.00 0.00 0.00 0.00 46.02 45.17 1fr6 n GLY 116 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1fr6 s LEU 117 N -1.33 4.32 0.76 0.99 1.43 -1.26 -4.64 118.68 118.94 1fr6 s LEU 117 Ca 0.00 1.49 -0.12 0.00 -1.03 0.00 0.00 54.13 54.46 1fr6 s LEU 117 Cb 0.00 -3.71 0.05 0.00 0.03 0.00 0.00 46.19 42.56 1fr6 s LEU 117 CO 0.00 -0.01 1.12 -2.16 0.23 0.00 0.00 176.35 175.53 1fr6 s PRO 118 N -2.08 2.19 0.27 1.29 0.04 -1.26 -4.72 135.00 130.73 1fr6 s PRO 118 Ca 0.45 1.38 -0.03 0.00 0.04 0.00 0.00 61.00 62.84 1fr6 s PRO 118 Cb -0.16 -1.87 0.37 0.00 0.04 0.00 0.00 34.50 32.87 1fr6 s PRO 118 CO 0.21 -1.72 1.91 1.25 0.04 0.00 0.00 177.00 178.69 1fr6 h LEU 119 N -0.80 1.07 -8.60 -3.56 5.85 -1.90 -3.24 115.31 104.13 1fr6 h LEU 119 Ca -0.45 -0.01 -0.27 0.00 0.84 0.00 0.00 57.88 57.99 1fr6 h LEU 119 Cb 1.25 -0.24 -0.15 0.00 0.37 0.00 0.00 40.66 41.89 1fr6 h LEU 119 CO 0.50 0.73 -0.67 -1.10 -0.34 0.00 0.00 178.44 177.56 1fr6 s GLN 120 N -6.04 1.05 -0.04 1.25 -1.52 -1.26 -0.25 119.66 112.85 1fr6 s GLN 120 Ca -0.12 -1.50 -0.20 0.00 -1.95 0.00 0.00 55.36 51.59 1fr6 s GLN 120 Cb 0.19 -0.20 -0.05 0.00 -0.22 0.00 0.00 33.01 32.73 1fr6 s GLN 120 CO 0.81 -0.13 0.57 0.08 -0.25 0.00 0.00 175.29 176.38 1fr6 s VAL 121 N -3.69 5.00 -0.41 1.09 1.01 -1.26 -4.81 120.40 117.32 1fr6 s VAL 121 Ca 0.22 1.18 -0.31 0.00 0.00 0.00 0.00 61.98 63.08 1fr6 s VAL 121 Cb 0.06 -3.91 -0.10 0.00 0.00 0.00 0.00 36.38 32.44 1fr6 s VAL 121 CO 0.03 0.38 2.31 -2.65 0.00 0.00 0.00 175.10 175.17 1fr6 n PRO 122 N 3.03 1.20 0.00 2.72 -0.02 -1.26 -4.75 135.00 135.92 1fr6 n PRO 122 Ca -0.07 0.25 0.00 0.00 -2.02 0.00 0.00 63.50 61.67 1fr6 n PRO 122 Cb 0.51 -2.83 0.00 0.00 -0.02 0.00 0.00 33.50 31.16 1fr6 n PRO 122 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 1fr6 n ASP 123 N 11.99 0.00 -1.08 2.55 10.43 -1.26 0.82 116.55 140.00 1fr6 n ASP 123 Ca 0.40 0.00 0.10 0.00 2.57 0.00 0.00 54.79 57.85 1fr6 n ASP 123 Cb 0.35 0.00 0.24 0.00 1.84 0.00 0.00 41.12 43.55 1fr6 n ASP 123 CO 0.00 0.00 0.00 -0.90 -1.07 0.00 0.00 177.20 175.23 1fr6 n ASP 124 N -0.06 3.47 -3.97 -2.24 3.85 -1.26 -4.48 116.55 111.85 1fr6 n ASP 124 Ca 0.00 -1.97 -0.31 0.00 -0.71 0.00 0.00 54.79 51.80 1fr6 n ASP 124 Cb 0.00 -0.34 -0.13 0.00 -1.35 0.00 0.00 41.12 39.30 1fr6 n ASP 124 CO 0.00 0.00 0.00 -0.69 -1.01 0.00 0.00 177.20 175.50 1fr6 s VAL 125 N -1.12 2.89 -0.15 2.12 1.01 0.24 -4.92 120.40 120.47 1fr6 s VAL 125 Ca 0.38 -3.50 0.17 0.00 0.00 0.00 0.00 61.98 59.03 1fr6 s VAL 125 Cb 0.21 -2.95 0.33 0.00 0.00 0.00 0.00 36.38 33.97 1fr6 s VAL 125 CO 0.27 -0.87 1.18 0.35 0.00 0.00 0.00 175.10 176.04 1fr6 n THR 126 N 2.89 1.98 -4.00 3.92 -2.24 -1.26 -4.57 114.28 111.00 1fr6 n THR 126 Ca 0.09 -2.46 -0.09 0.00 -2.27 0.00 0.00 64.05 59.32 1fr6 n THR 126 Cb 0.34 -0.24 -0.05 0.00 -2.10 0.00 0.00 70.33 68.27 1fr6 n THR 126 CO 0.00 0.00 0.00 1.51 -0.57 0.00 0.00 175.07 176.01 1fr6 s ASP 127 N -2.91 -0.04 0.30 3.42 1.47 -1.26 -4.95 116.67 112.70 1fr6 s ASP 127 Ca 0.34 -0.96 0.20 0.00 1.18 0.00 0.00 52.55 53.31 1fr6 s ASP 127 Cb 0.30 0.60 0.13 0.00 -0.34 0.00 0.00 42.92 43.61 1fr6 s ASP 127 CO 0.01 -1.17 1.34 0.11 0.68 0.00 0.00 175.17 176.14 1fr6 h LYS 128 N 2.24 0.00 -0.64 2.11 1.57 -1.99 -2.35 116.57 117.51 1fr6 h LYS 128 Ca -0.26 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.51 1fr6 h LYS 128 Cb 1.25 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 33.53 1fr6 h LYS 128 CO 0.35 0.16 0.38 0.00 -0.57 0.00 0.00 179.45 179.78 1fr6 h ALA 129 N 1.80 0.82 -0.00 3.86 0.00 -2.01 -2.26 119.26 121.46 1fr6 h ALA 129 Ca -0.02 -0.08 -0.16 0.00 0.00 0.00 0.00 54.91 54.65 1fr6 h ALA 129 Cb 1.17 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.68 1fr6 h ALA 129 CO 0.02 0.30 -0.75 0.00 0.00 0.00 0.00 179.25 178.82 1fr6 h ALA 130 N 1.20 0.74 -0.13 0.00 0.00 -1.95 -3.22 119.26 115.89 1fr6 h ALA 130 Ca 0.23 -0.68 -0.08 0.00 0.00 0.00 0.00 54.91 54.38 1fr6 h ALA 130 Cb -0.02 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 1fr6 h ALA 130 CO -0.04 0.92 -0.28 1.25 0.00 0.00 0.00 179.25 181.09 1fr6 h LEU 131 N 0.02 0.24 -0.11 0.00 5.85 -0.86 -1.99 115.31 118.47 1fr6 h LEU 131 Ca -0.01 -0.08 -0.09 0.00 0.84 0.00 0.00 57.88 58.54 1fr6 h LEU 131 Cb 1.33 -0.07 0.00 0.00 0.37 0.00 0.00 40.66 42.30 1fr6 h LEU 131 CO 0.10 0.53 -0.28 0.25 -0.34 0.00 0.00 178.44 178.70 1fr6 h LEU 132 N 0.22 0.44 -0.50 2.25 5.85 -1.51 -2.32 115.31 119.74 1fr6 h LEU 132 Ca 0.03 -0.59 0.10 0.00 0.84 0.00 0.00 57.88 58.26 1fr6 h LEU 132 Cb 0.62 -0.13 -0.08 0.00 0.37 0.00 0.00 40.66 41.44 1fr6 h LEU 132 CO 0.04 0.94 0.01 -0.09 -0.34 0.00 0.00 178.44 179.01 1fr6 h ARG 133 N -0.05 0.12 0.06 1.25 2.43 -1.54 2.10 114.38 118.75 1fr6 h ARG 133 Ca -0.00 -0.01 0.01 0.00 -0.81 0.00 0.00 59.98 59.17 1fr6 h ARG 133 Cb 0.89 -0.03 -0.04 0.00 -0.42 0.00 0.00 29.97 30.37 1fr6 h ARG 133 CO 0.06 0.08 -0.45 0.35 -1.51 0.00 0.00 179.97 178.50 1fr6 h PHE 134 N 0.13 -1.31 0.00 2.20 3.57 -1.40 0.47 116.94 120.60 1fr6 h PHE 134 Ca 0.25 0.04 -0.07 0.00 3.53 0.00 0.00 57.97 61.72 1fr6 h PHE 134 Cb 0.37 0.56 -0.01 0.00 2.79 0.00 0.00 35.95 39.67 1fr6 h PHE 134 CO -0.30 -0.50 -0.33 1.88 -2.23 0.00 0.00 178.31 176.83 1fr6 h TYR 135 N -0.61 0.00 -0.05 0.41 0.05 -0.77 -0.36 116.97 115.64 1fr6 h TYR 135 Ca 0.00 0.00 -0.01 0.00 0.05 0.00 0.00 58.73 58.77 1fr6 h TYR 135 Cb 0.63 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 38.37 1fr6 h TYR 135 CO -0.46 0.33 -0.00 0.37 -1.05 0.00 0.00 178.16 177.35 1fr6 h GLN 136 N 0.00 0.09 -0.01 4.88 5.75 0.43 -3.09 115.11 123.17 1fr6 h GLN 136 Ca -0.00 -0.03 0.00 0.00 -0.15 0.00 0.00 58.65 58.47 1fr6 h GLN 136 Cb 0.61 -0.01 0.00 0.00 1.07 0.00 0.00 27.48 29.15 1fr6 h GLN 136 CO 0.04 0.39 -0.00 0.09 -2.65 0.00 0.00 178.83 176.70 1fr6 n ASN 137 N -4.87 0.71 -4.75 -0.69 3.02 0.16 -4.91 115.26 103.93 1fr6 n ASN 137 Ca -0.07 -1.21 -0.38 0.00 -0.03 0.00 0.00 54.58 52.88 1fr6 n ASN 137 Cb 0.19 -0.00 0.03 0.00 -0.61 0.00 0.00 39.78 39.39 1fr6 n ASN 137 CO 0.00 0.00 0.00 0.86 -2.62 0.00 0.00 177.26 175.50 1fr6 s TRP 138 N -2.02 2.41 -0.28 3.10 -0.00 -0.17 -5.00 118.94 116.98 1fr6 s TRP 138 Ca 0.43 1.39 0.02 0.00 -0.00 0.00 0.00 56.10 57.94 1fr6 s TRP 138 Cb 0.21 -3.74 0.07 0.00 -0.00 0.00 0.00 33.47 30.01 1fr6 s TRP 138 CO 0.36 -2.66 -0.06 -1.14 -0.00 0.00 0.00 176.95 173.45 1fr6 s GLN 139 N -2.83 2.13 0.42 5.86 0.74 -1.26 -4.95 119.66 119.78 1fr6 s GLN 139 Ca 0.69 -1.44 -0.26 0.00 0.05 0.00 0.00 55.36 54.40 1fr6 s GLN 139 Cb -0.39 -3.00 -0.09 0.00 1.10 0.00 0.00 33.01 30.63 1fr6 s GLN 139 CO 0.46 -0.65 1.37 -1.25 -0.55 0.00 0.00 175.29 174.67 1fr6 s PRO 140 N 1.09 3.86 -0.08 1.67 0.04 -1.26 -4.91 135.00 135.41 1fr6 s PRO 140 Ca -0.05 2.30 -0.09 0.00 0.04 0.00 0.00 61.00 63.20 1fr6 s PRO 140 Cb -0.20 -2.73 -0.29 0.00 0.04 0.00 0.00 34.50 31.32 1fr6 s PRO 140 CO -0.05 -0.63 0.55 1.96 0.04 0.00 0.00 177.00 178.86 1fr6 h GLN 141 N 2.56 0.34 -4.30 4.56 4.20 0.17 -3.48 115.11 119.16 1fr6 h GLN 141 Ca -0.50 -0.59 -0.15 0.00 0.06 0.00 0.00 58.65 57.47 1fr6 h GLN 141 Cb 1.25 0.22 -0.16 0.00 0.30 0.00 0.00 27.48 29.10 1fr6 h GLN 141 CO 0.62 1.28 -0.69 -1.58 -0.67 0.00 0.00 178.83 177.80 1fr6 s TRP 142 N -2.57 0.57 0.79 2.96 0.51 -1.05 -5.04 118.94 115.10 1fr6 s TRP 142 Ca -0.19 -0.97 -0.13 0.00 -2.12 0.00 0.00 56.10 52.69 1fr6 s TRP 142 Cb 0.06 -0.39 0.07 0.00 -0.81 0.00 0.00 33.47 32.40 1fr6 s TRP 142 CO 0.82 -0.31 1.17 0.00 -0.51 0.00 0.00 176.95 178.12 1fr6 s ALA 143 N -3.54 1.96 0.54 0.98 0.00 -1.26 -4.05 121.76 116.38 1fr6 s ALA 143 Ca 0.05 0.70 -0.21 0.00 0.00 0.00 0.00 51.96 52.50 1fr6 s ALA 143 Cb 0.05 -3.43 -0.05 0.00 0.00 0.00 0.00 23.12 19.69 1fr6 s ALA 143 CO -0.08 -2.10 1.22 -2.14 0.00 0.00 0.00 175.76 172.66 1fr6 s PRO 144 N -4.27 3.29 0.00 0.00 0.02 -1.25 -3.28 135.00 129.51 1fr6 s PRO 144 Ca 0.70 1.88 0.00 0.00 0.02 0.00 0.00 61.00 63.60 1fr6 s PRO 144 Cb -0.25 -2.16 0.00 0.00 0.02 0.00 0.00 34.50 32.11 1fr6 s PRO 144 CO 0.50 -0.97 0.00 0.41 -0.33 0.00 0.00 177.00 176.61 1fr6 n GLY 145 N 0.51 0.41 0.01 0.52 0.00 -1.05 -4.92 105.19 100.68 1fr6 n GLY 145 Ca 0.11 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.12 1fr6 n GLY 145 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1fr6 n ALA 146 N 1.00 0.08 -2.65 4.61 0.00 -1.20 -4.75 120.51 117.58 1fr6 n ALA 146 Ca 0.00 -0.18 -0.23 0.00 0.00 0.00 0.00 53.44 53.03 1fr6 n ALA 146 Cb 0.11 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.50 1fr6 n ALA 146 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1fr6 s LYS 147 N -1.21 2.49 -0.26 0.00 1.02 -1.26 -2.54 119.74 117.98 1fr6 s LYS 147 Ca -0.03 -1.35 -0.02 0.00 0.02 0.00 0.00 55.97 54.59 1fr6 s LYS 147 Cb 0.00 -2.28 0.03 0.00 -0.52 0.00 0.00 37.83 35.06 1fr6 s LYS 147 CO 0.04 0.30 -0.04 0.50 -0.92 0.00 0.00 175.35 175.23 1fr6 s ARG 148 N -3.77 2.81 -0.49 1.68 3.52 0.30 -4.36 118.95 118.64 1fr6 s ARG 148 Ca 0.34 -1.00 0.03 0.00 -0.13 0.00 0.00 55.73 54.96 1fr6 s ARG 148 Cb -0.06 -3.05 0.14 0.00 -1.56 0.00 0.00 34.95 30.42 1fr6 s ARG 148 CO 0.22 -0.43 0.27 -1.17 -0.81 0.00 0.00 175.30 173.38 1fr6 s LEU 149 N 1.33 3.42 0.03 -0.88 2.96 -0.57 -1.27 118.68 123.71 1fr6 s LEU 149 Ca -0.00 -2.89 -0.28 0.00 -0.22 0.00 0.00 54.13 50.74 1fr6 s LEU 149 Cb -0.17 -1.29 -0.14 0.00 0.50 0.00 0.00 46.19 45.09 1fr6 s LEU 149 CO -0.03 -0.23 0.71 0.00 -1.32 0.00 0.00 176.35 175.47 1fr6 n TYR 150 N 3.23 0.30 -3.64 5.38 4.19 -1.26 -4.72 117.16 120.63 1fr6 n TYR 150 Ca 0.09 0.77 -0.07 0.00 3.31 0.00 0.00 57.90 61.99 1fr6 n TYR 150 Cb 0.34 -1.52 -0.07 0.00 0.49 0.00 0.00 39.34 38.58 1fr6 n TYR 150 CO 0.00 0.00 0.00 0.00 0.91 0.00 0.00 176.86 177.77 1fr6 s ALA 151 N -0.15 -2.01 0.09 2.98 0.00 -1.26 -4.44 121.76 116.96 1fr6 s ALA 151 Ca 0.63 2.14 -0.18 0.00 0.00 0.00 0.00 51.96 54.55 1fr6 s ALA 151 Cb -0.89 -1.48 -0.07 0.00 0.00 0.00 0.00 23.12 20.69 1fr6 s ALA 151 CO 0.42 -0.32 1.53 -0.91 0.00 0.00 0.00 175.76 176.48 1fr6 h ASN 152 N 5.59 0.49 0.24 0.00 2.35 -0.72 -3.04 115.58 120.49 1fr6 h ASN 152 Ca -0.29 -0.31 0.00 0.00 -0.55 0.00 0.00 56.30 55.16 1fr6 h ASN 152 Cb 1.19 -0.13 0.00 0.00 0.05 0.00 0.00 38.32 39.43 1fr6 h ASN 152 CO 0.14 0.67 0.00 -1.54 -1.65 0.00 0.00 177.43 175.05 1fr6 n SER 153 N -4.59 0.54 0.00 5.81 3.41 -1.22 0.32 113.62 117.88 1fr6 n SER 153 Ca -0.03 0.71 0.00 0.00 -0.26 0.00 0.00 58.87 59.29 1fr6 n SER 153 Cb 0.25 -0.80 0.00 0.00 -0.26 0.00 0.00 64.21 63.40 1fr6 n SER 153 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 1fr6 n SER 154 N -2.18 0.00 -0.02 4.04 2.88 -1.16 -3.55 113.62 113.63 1fr6 n SER 154 Ca -0.00 0.21 0.03 0.00 -1.33 0.00 0.00 58.87 57.77 1fr6 n SER 154 Cb 0.09 -0.28 0.38 0.00 -0.75 0.00 0.00 64.21 63.65 1fr6 n SER 154 CO 0.00 0.00 0.00 -0.29 -1.23 0.00 0.00 175.04 173.52 1fr6 h ILE 155 N 0.00 1.14 -0.16 2.46 2.10 -1.43 -1.91 117.51 119.71 1fr6 h ILE 155 Ca 0.00 -0.36 0.04 0.00 1.08 0.00 0.00 64.86 65.63 1fr6 h ILE 155 Cb 0.00 0.58 -0.04 0.00 -1.09 0.00 0.00 36.82 36.26 1fr6 h ILE 155 CO 0.00 0.15 -0.12 1.23 -1.08 0.00 0.00 178.15 178.33 1fr6 h GLY 156 N 0.67 0.00 2.00 8.18 0.00 -0.35 0.52 103.07 114.08 1fr6 h GLY 156 Ca 0.15 0.15 -0.02 0.00 0.00 0.00 0.00 47.33 47.60 1fr6 h GLY 156 CO -0.02 -0.13 -0.10 -2.00 0.00 0.00 0.00 176.54 174.29 1fr6 h LEU 157 N -0.13 0.00 0.09 3.11 5.85 -1.41 -2.74 115.31 120.08 1fr6 h LEU 157 Ca 0.10 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.81 1fr6 h LEU 157 Cb 0.27 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.30 1fr6 h LEU 157 CO -0.23 0.10 -0.04 0.15 -0.34 0.00 0.00 178.44 178.08 1fr6 h PHE 158 N 0.00 -0.11 -0.55 1.25 3.04 -0.44 -2.46 116.94 117.67 1fr6 h PHE 158 Ca -0.00 -0.00 0.11 0.00 3.98 0.00 0.00 57.97 62.05 1fr6 h PHE 158 Cb 0.31 0.04 -0.11 0.00 2.56 0.00 0.00 35.95 38.74 1fr6 h PHE 158 CO 0.00 0.36 -0.24 0.78 -2.02 0.00 0.00 178.31 177.19 1fr6 h GLY 159 N -0.63 0.13 1.53 2.40 0.00 -1.04 0.56 103.07 106.01 1fr6 h GLY 159 Ca -0.01 0.31 -0.07 0.00 0.00 0.00 0.00 47.33 47.56 1fr6 h GLY 159 CO 0.02 -0.22 -0.09 0.00 0.00 0.00 0.00 176.54 176.25 1fr6 h ALA 160 N 1.24 1.21 0.16 3.60 0.00 -1.56 -3.12 119.26 120.79 1fr6 h ALA 160 Ca 0.25 -0.27 -0.30 0.00 0.00 0.00 0.00 54.91 54.59 1fr6 h ALA 160 Cb 0.50 -0.15 0.01 0.00 0.00 0.00 0.00 17.79 18.15 1fr6 h ALA 160 CO -0.62 0.51 -1.41 -0.07 0.00 0.00 0.00 179.25 177.66 1fr6 h LEU 161 N 0.53 0.52 -1.40 0.00 3.38 -0.70 -3.35 115.31 114.29 1fr6 h LEU 161 Ca 0.10 -0.61 0.00 0.00 0.09 0.00 0.00 57.88 57.46 1fr6 h LEU 161 Cb 0.48 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 41.06 1fr6 h LEU 161 CO 0.03 1.49 0.00 0.00 0.09 0.00 0.00 178.44 180.05 1fr6 h ALA 162 N 0.43 1.00 -0.01 1.53 0.00 0.13 -2.46 119.26 119.88 1fr6 h ALA 162 Ca -0.21 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.70 1fr6 h ALA 162 Cb 2.04 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.83 1fr6 h ALA 162 CO 0.21 0.00 -0.41 1.33 0.00 0.00 0.00 179.25 180.38 1fr6 n VAL 163 N -2.53 0.00 0.03 0.00 0.24 -1.20 -4.64 118.33 110.23 1fr6 n VAL 163 Ca 0.00 -0.30 -0.12 0.00 -2.04 0.00 0.00 64.34 61.88 1fr6 n VAL 163 Cb 0.16 1.21 -0.06 0.00 -1.47 0.00 0.00 33.84 33.69 1fr6 n VAL 163 CO 0.00 0.00 0.00 0.11 -2.14 0.00 0.00 176.83 174.80 1fr6 h LYS 164 N 1.99 -0.48 -0.60 7.34 1.57 -1.57 -3.03 116.57 121.78 1fr6 h LYS 164 Ca 0.00 0.03 0.08 0.00 -1.87 0.00 0.00 60.65 58.90 1fr6 h LYS 164 Cb 0.63 0.11 -0.10 0.00 0.08 0.00 0.00 32.23 32.94 1fr6 h LYS 164 CO 0.00 -0.32 -0.47 -1.35 -0.57 0.00 0.00 179.45 176.73 1fr6 h PRO 165 N -0.50 -0.22 -0.26 3.15 0.11 -1.82 -1.23 132.00 131.22 1fr6 h PRO 165 Ca 0.07 0.02 0.08 0.00 0.11 0.00 0.00 66.00 66.27 1fr6 h PRO 165 Cb 0.61 0.05 -0.01 0.00 0.11 0.00 0.00 31.00 31.76 1fr6 h PRO 165 CO -0.35 -0.15 0.36 0.66 -0.21 0.00 0.00 178.00 178.31 1fr6 h SER 166 N -0.23 0.00 0.00 -2.05 4.64 -1.86 -3.45 113.55 110.59 1fr6 h SER 166 Ca 0.16 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.48 1fr6 h SER 166 Cb 0.56 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.65 1fr6 h SER 166 CO -0.71 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 175.86 1fr6 n GLY 167 N -1.40 0.71 3.97 -0.77 0.00 -0.47 -5.03 105.19 102.20 1fr6 n GLY 167 Ca 0.04 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.85 1fr6 n GLY 167 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1fr6 s MET 168 N -0.04 3.37 0.69 1.61 -1.94 -1.26 -5.10 119.30 116.63 1fr6 s MET 168 Ca 0.00 -0.74 -0.07 0.00 -1.71 0.00 0.00 55.69 53.17 1fr6 s MET 168 Cb 0.00 -2.83 0.05 0.00 2.01 0.00 0.00 34.83 34.06 1fr6 s MET 168 CO 0.00 0.30 1.00 -1.54 -0.01 0.00 0.00 175.02 174.77 1fr6 s SER 169 N -4.03 4.98 0.12 3.03 1.04 -1.26 -4.67 113.70 112.90 1fr6 s SER 169 Ca 0.37 0.55 -0.22 0.00 0.48 0.00 0.00 55.95 57.14 1fr6 s SER 169 Cb -0.09 -1.26 -0.04 0.00 0.10 0.00 0.00 66.02 64.72 1fr6 s SER 169 CO 0.31 -1.50 1.69 0.22 0.98 0.00 0.00 173.24 174.94 1fr6 h TYR 170 N -0.54 -0.22 -0.88 5.02 5.03 -1.92 -2.54 116.97 120.91 1fr6 h TYR 170 Ca -0.45 0.02 0.13 0.00 2.58 0.00 0.00 58.73 61.01 1fr6 h TYR 170 Cb 1.30 0.12 -0.09 0.00 1.55 0.00 0.00 36.73 39.61 1fr6 h TYR 170 CO 0.37 -0.14 0.50 1.49 -1.32 0.00 0.00 178.16 179.05 1fr6 h GLU 171 N -0.10 0.72 -0.23 1.82 4.81 -1.99 -0.01 114.58 119.61 1fr6 h GLU 171 Ca 0.08 -0.04 -0.05 0.00 -0.13 0.00 0.00 59.36 59.21 1fr6 h GLU 171 Cb 0.22 -0.16 -0.01 0.00 0.63 0.00 0.00 28.75 29.43 1fr6 h GLU 171 CO -0.18 0.48 -0.06 1.49 -0.73 0.00 0.00 179.01 180.01 1fr6 h GLU 172 N 0.75 0.45 -0.21 1.92 4.81 -1.90 -1.53 114.58 118.86 1fr6 h GLU 172 Ca 0.46 -0.17 -0.02 0.00 -0.13 0.00 0.00 59.36 59.50 1fr6 h GLU 172 Cb 0.57 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.91 1fr6 h GLU 172 CO -0.32 0.68 0.05 0.00 -0.73 0.00 0.00 179.01 178.70 1fr6 h ALA 173 N 0.75 0.28 -0.13 2.92 0.00 -1.03 -2.17 119.26 119.89 1fr6 h ALA 173 Ca 0.06 -0.16 0.05 0.00 0.00 0.00 0.00 54.91 54.86 1fr6 h ALA 173 Cb 0.52 -0.08 -0.06 0.00 0.00 0.00 0.00 17.79 18.17 1fr6 h ALA 173 CO 0.02 -0.07 -0.36 1.98 0.00 0.00 0.00 179.25 180.82 1fr6 h MET 174 N 0.15 -0.42 0.38 0.00 1.85 -1.01 0.98 114.93 116.87 1fr6 h MET 174 Ca 0.07 0.03 -0.01 0.00 -0.61 0.00 0.00 59.70 59.17 1fr6 h MET 174 Cb 0.28 0.10 -0.02 0.00 0.43 0.00 0.00 31.60 32.39 1fr6 h MET 174 CO 0.00 -0.28 -0.37 1.03 -0.40 0.00 0.00 176.91 176.88 1fr6 h SER 175 N -0.44 -1.02 0.28 1.39 0.87 -1.15 -0.61 113.55 112.87 1fr6 h SER 175 Ca 0.09 0.08 0.00 0.00 -1.23 0.00 0.00 61.79 60.73 1fr6 h SER 175 Cb 0.58 0.34 -0.02 0.00 -0.44 0.00 0.00 62.40 62.86 1fr6 h SER 175 CO -0.37 -0.50 -0.28 0.50 -0.53 0.00 0.00 176.83 175.66 1fr6 h LYS 176 N -0.75 -0.57 0.00 2.24 3.64 -1.36 0.80 116.57 120.57 1fr6 h LYS 176 Ca -0.05 0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.37 1fr6 h LYS 176 Cb 0.65 0.13 0.00 0.00 -0.41 0.00 0.00 32.23 32.60 1fr6 h LYS 176 CO -0.04 -0.38 -0.35 0.00 -2.27 0.00 0.00 179.45 176.41 1fr6 h ARG 177 N -0.59 0.00 0.00 1.90 3.08 0.96 -3.38 114.38 116.34 1fr6 h ARG 177 Ca -0.01 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.04 1fr6 h ARG 177 Cb 0.54 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.59 1fr6 h ARG 177 CO -0.06 0.00 -0.42 0.28 -1.07 0.00 0.00 179.97 178.70 1fr6 n VAL 178 N -2.50 0.05 -0.05 2.04 0.31 -0.34 -4.76 118.33 113.08 1fr6 n VAL 178 Ca 0.04 0.02 -0.11 0.00 -0.01 0.00 0.00 64.34 64.27 1fr6 n VAL 178 Cb 0.48 -0.96 -0.05 0.00 -0.91 0.00 0.00 33.84 32.40 1fr6 n VAL 178 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 1fr6 h LEU 179 N 0.00 0.25 0.17 7.52 3.38 -1.16 -2.41 115.31 123.06 1fr6 h LEU 179 Ca 0.00 -0.21 -0.01 0.00 0.09 0.00 0.00 57.88 57.76 1fr6 h LEU 179 Cb 0.42 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.11 1fr6 h LEU 179 CO 0.00 0.39 -0.08 0.45 0.09 0.00 0.00 178.44 179.29 1fr6 h HIS 180 N 0.10 -0.21 -0.61 1.13 3.86 0.43 0.24 115.15 120.08 1fr6 h HIS 180 Ca 0.06 -0.00 0.13 0.00 -1.16 0.00 0.00 60.37 59.39 1fr6 h HIS 180 Cb 0.23 0.07 -0.10 0.00 1.06 0.00 0.00 27.41 28.66 1fr6 h HIS 180 CO 0.00 0.18 -0.01 -1.35 0.86 0.00 0.00 177.93 177.61 1fr6 h PRO 181 N -0.67 0.11 0.00 2.45 0.11 -1.74 0.86 132.00 133.12 1fr6 h PRO 181 Ca -0.02 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.08 1fr6 h PRO 181 Cb 0.48 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 31.57 1fr6 h PRO 181 CO 0.04 0.07 0.00 1.28 -0.21 0.00 0.00 178.00 179.18 1fr6 n LEU 182 N -5.29 0.00 -2.56 2.35 4.77 -0.91 -4.91 117.00 110.46 1fr6 n LEU 182 Ca 0.09 0.43 -0.10 0.00 -0.03 0.00 0.00 56.01 56.40 1fr6 n LEU 182 Cb 0.35 -0.43 0.05 0.00 -2.33 0.00 0.00 43.42 41.06 1fr6 n LEU 182 CO 0.11 -0.08 0.06 0.29 -1.33 0.00 0.00 177.39 176.43 1fr6 n LYS 183 N -1.43 -3.40 -3.42 3.23 5.02 0.30 -4.94 118.16 113.52 1fr6 n LYS 183 Ca 0.08 0.54 -0.43 0.00 -2.02 0.00 0.00 58.31 56.48 1fr6 n LYS 183 Cb 0.25 -4.52 -0.02 0.00 -0.02 0.00 0.00 35.03 30.73 1fr6 n LYS 183 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1fr6 s LEU 184 N -4.68 6.14 0.00 -0.35 1.43 0.80 -4.79 118.68 117.22 1fr6 s LEU 184 Ca 0.08 -3.63 0.30 0.00 -1.03 0.00 0.00 54.13 49.86 1fr6 s LEU 184 Cb -0.01 -2.13 1.51 0.00 0.03 0.00 0.00 46.19 45.59 1fr6 s LEU 184 CO 0.46 -0.26 2.04 0.00 0.23 0.00 0.00 176.35 178.82 1fr6 n ALA 185 N 2.61 2.56 -1.39 4.21 0.00 -1.26 -3.52 120.51 123.71 1fr6 n ALA 185 Ca 0.23 -0.17 0.07 0.00 0.00 0.00 0.00 53.44 53.57 1fr6 n ALA 185 Cb 0.39 -1.46 0.11 0.00 0.00 0.00 0.00 19.45 18.48 1fr6 n ALA 185 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1fr6 n HIS 186 N -1.19 0.00 -4.07 0.00 8.25 -1.26 -4.99 115.22 111.96 1fr6 n HIS 186 Ca 0.15 -0.81 -0.32 0.00 -0.26 0.00 0.00 57.72 56.48 1fr6 n HIS 186 Cb 0.23 -0.14 -0.15 0.00 1.12 0.00 0.00 29.99 31.05 1fr6 n HIS 186 CO 0.00 0.00 0.00 0.99 0.64 0.00 0.00 176.34 177.97 1fr6 s THR 187 N -2.16 2.02 0.15 1.59 2.01 -1.23 -3.19 115.64 114.84 1fr6 s THR 187 Ca 0.26 -1.30 0.04 0.00 0.31 0.00 0.00 61.69 60.99 1fr6 s THR 187 Cb 0.23 -2.04 -0.05 0.00 0.01 0.00 0.00 72.50 70.66 1fr6 s THR 187 CO 0.00 0.17 -0.08 0.26 -0.69 0.00 0.00 174.62 174.29 1fr6 s TRP 188 N 1.22 1.26 -0.14 4.92 0.52 0.10 -4.99 118.94 121.83 1fr6 s TRP 188 Ca -0.03 -0.82 -0.06 0.00 0.02 0.00 0.00 56.10 55.22 1fr6 s TRP 188 Cb -0.17 -0.67 -0.07 0.00 -1.15 0.00 0.00 33.47 31.41 1fr6 s TRP 188 CO -0.08 0.02 -0.17 -0.89 0.02 0.00 0.00 176.95 175.85 1fr6 n ILE 189 N -0.21 0.79 -3.96 2.03 5.41 -1.26 0.10 119.36 122.26 1fr6 n ILE 189 Ca -0.09 -0.22 -0.32 0.00 1.00 0.00 0.00 62.75 63.12 1fr6 n ILE 189 Cb 0.61 -1.55 -0.14 0.00 -0.71 0.00 0.00 39.64 37.85 1fr6 n ILE 189 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 176.55 175.66 1fr6 s THR 190 N -2.27 2.53 -0.20 1.39 2.01 -1.26 -4.85 115.64 112.99 1fr6 s THR 190 Ca -0.20 -2.50 -0.29 0.00 0.31 0.00 0.00 61.69 59.02 1fr6 s THR 190 Cb 0.07 -2.82 -0.03 0.00 0.01 0.00 0.00 72.50 69.73 1fr6 s THR 190 CO 0.27 -0.66 1.68 -0.69 -0.69 0.00 0.00 174.62 174.53 1fr6 s VAL 191 N 0.70 3.60 0.93 3.82 1.01 -1.26 -4.95 120.40 124.25 1fr6 s VAL 191 Ca 0.12 0.67 -0.12 0.00 0.00 0.00 0.00 61.98 62.65 1fr6 s VAL 191 Cb -0.21 -3.61 0.05 0.00 0.00 0.00 0.00 36.38 32.61 1fr6 s VAL 191 CO -0.06 -0.25 0.54 -2.65 0.00 0.00 0.00 175.10 172.67 1fr6 n PRO 192 N 7.74 -0.28 -0.25 2.72 -0.02 -1.26 -4.83 135.00 138.82 1fr6 n PRO 192 Ca 0.20 -0.04 -0.04 0.00 -2.02 0.00 0.00 63.50 61.60 1fr6 n PRO 192 Cb 0.45 -1.94 0.13 0.00 -0.02 0.00 0.00 33.50 32.12 1fr6 n PRO 192 CO 0.00 0.00 0.00 0.37 1.98 0.00 0.00 175.50 177.85 1fr6 h GLN 193 N -1.55 1.08 0.00 -0.52 5.75 -2.02 -2.41 115.11 115.44 1fr6 h GLN 193 Ca -0.43 -0.17 -0.01 0.00 -0.15 0.00 0.00 58.65 57.89 1fr6 h GLN 193 Cb 1.28 -0.19 -0.00 0.00 1.07 0.00 0.00 27.48 29.64 1fr6 h GLN 193 CO 0.36 0.86 -0.04 0.77 -2.65 0.00 0.00 178.83 178.13 1fr6 h SER 194 N 1.06 0.00 -0.01 -0.69 0.02 -2.01 -3.21 113.55 108.71 1fr6 h SER 194 Ca 0.25 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.20 1fr6 h SER 194 Cb 0.16 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.70 1fr6 h SER 194 CO -0.03 0.04 -0.22 -0.62 -1.14 0.00 0.00 176.83 174.86 1fr6 n GLU 195 N -3.48 1.90 -0.03 3.45 -0.58 -0.92 -4.64 120.64 116.34 1fr6 n GLU 195 Ca -0.02 -0.69 0.24 0.00 -0.42 0.00 0.00 57.16 56.27 1fr6 n GLU 195 Cb 0.15 -1.13 0.72 0.00 -0.57 0.00 0.00 31.44 30.60 1fr6 n GLU 195 CO 0.00 0.00 0.00 1.96 -0.48 0.00 0.00 177.13 178.61 1fr6 h GLN 196 N 1.33 0.00 0.00 3.49 1.08 -1.52 0.34 115.11 119.83 1fr6 h GLN 196 Ca 0.00 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 1fr6 h GLN 196 Cb 0.39 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.82 1fr6 h GLN 196 CO 0.00 0.00 0.00 0.36 -0.95 0.00 0.00 178.83 178.24 1fr6 n LYS 197 N -3.89 0.26 0.00 1.46 0.00 -1.26 -2.93 118.16 111.79 1fr6 n LYS 197 Ca 0.12 0.06 0.02 0.00 -0.00 0.00 0.00 58.31 58.52 1fr6 n LYS 197 Cb 0.80 -1.50 0.01 0.00 -0.00 0.00 0.00 35.03 34.34 1fr6 n LYS 197 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 1fr6 n ASP 198 N -1.34 1.06 -4.46 -5.58 8.00 0.10 -4.96 116.55 109.36 1fr6 n ASP 198 Ca 0.10 -1.03 -0.43 0.00 0.71 0.00 0.00 54.79 54.14 1fr6 n ASP 198 Cb 0.22 0.23 -0.05 0.00 -0.02 0.00 0.00 41.12 41.50 1fr6 n ASP 198 CO 0.00 0.00 0.00 -0.47 -0.39 0.00 0.00 177.20 176.34 1fr6 s TYR 199 N -0.56 2.87 0.98 1.24 5.04 -1.15 0.12 117.35 125.89 1fr6 s TYR 199 Ca 0.04 -0.45 -0.13 0.00 -2.44 0.00 0.00 57.07 54.09 1fr6 s TYR 199 Cb 0.03 -3.96 0.08 0.00 0.35 0.00 0.00 41.96 38.47 1fr6 s TYR 199 CO 0.07 -1.32 0.55 0.00 -1.34 0.00 0.00 175.55 173.51 1fr6 n ALA 200 N 6.96 -2.42 -2.85 3.97 0.00 -0.97 -4.95 120.51 120.24 1fr6 n ALA 200 Ca -0.04 -0.71 -0.34 0.00 0.00 0.00 0.00 53.44 52.35 1fr6 n ALA 200 Cb 0.46 -1.86 -0.11 0.00 0.00 0.00 0.00 19.45 17.94 1fr6 n ALA 200 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 1fr6 s TRP 201 N -2.43 3.14 0.08 0.00 0.52 -0.54 -4.96 118.94 114.75 1fr6 s TRP 201 Ca 0.60 -0.06 -0.10 0.00 0.02 0.00 0.00 56.10 56.56 1fr6 s TRP 201 Cb -0.21 -1.96 -0.06 0.00 -1.15 0.00 0.00 33.47 30.09 1fr6 s TRP 201 CO 0.65 0.15 0.40 0.20 0.02 0.00 0.00 176.95 178.37 1fr6 s GLY 202 N 0.09 2.35 -0.10 0.98 0.00 -1.05 -4.82 107.32 104.76 1fr6 s GLY 202 Ca 0.02 -0.37 -0.03 0.00 0.00 0.00 0.00 44.72 44.34 1fr6 s GLY 202 CO 0.02 -0.14 0.02 -0.19 0.00 0.00 0.00 173.10 172.81 1fr6 s TYR 203 N -1.39 3.22 -0.26 1.90 1.51 -0.84 0.17 117.35 121.67 1fr6 s TYR 203 Ca 0.33 0.20 -0.02 0.00 -1.01 0.00 0.00 57.07 56.57 1fr6 s TYR 203 Cb -0.14 -1.85 0.13 0.00 -0.11 0.00 0.00 41.96 40.00 1fr6 s TYR 203 CO 0.18 0.45 0.33 0.50 -1.11 0.00 0.00 175.55 175.90 1fr6 s ARG 204 N -0.71 0.32 -1.47 -0.62 6.06 -0.21 -4.01 118.95 118.30 1fr6 s ARG 204 Ca 0.11 0.22 -0.12 0.00 -2.50 0.00 0.00 55.73 53.44 1fr6 s ARG 204 Cb -0.12 -0.65 0.06 0.00 0.06 0.00 0.00 34.95 34.31 1fr6 s ARG 204 CO 0.02 -0.82 1.05 0.39 -2.50 0.00 0.00 175.30 173.45 1fr6 n GLU 205 N 5.34 -6.33 -1.00 5.12 -0.58 -1.26 -1.07 120.64 120.86 1fr6 n GLU 205 Ca -0.03 0.67 0.00 0.00 -0.42 0.00 0.00 57.16 57.39 1fr6 n GLU 205 Cb 0.49 -5.62 0.00 0.00 -0.57 0.00 0.00 31.44 25.74 1fr6 n GLU 205 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1fr6 n GLY 206 N -1.79 0.48 3.81 0.62 0.00 -1.26 -5.02 105.19 102.03 1fr6 n GLY 206 Ca 0.02 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.68 1fr6 n GLY 206 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1fr6 s LYS 207 N -0.21 3.28 -0.12 1.61 2.20 -0.23 -5.07 119.74 121.20 1fr6 s LYS 207 Ca 0.00 -0.23 -0.25 0.00 -0.36 0.00 0.00 55.97 55.13 1fr6 s LYS 207 Cb 0.00 -3.05 -0.02 0.00 -1.51 0.00 0.00 37.83 33.25 1fr6 s LYS 207 CO 0.00 0.75 0.80 -1.25 -0.36 0.00 0.00 175.35 175.29 1fr6 s PRO 208 N -1.01 4.37 -0.05 4.03 0.04 -1.25 -1.05 135.00 140.08 1fr6 s PRO 208 Ca 0.15 1.01 -0.03 0.00 0.04 0.00 0.00 61.00 62.17 1fr6 s PRO 208 Cb -0.12 -3.52 0.02 0.00 0.04 0.00 0.00 34.50 30.93 1fr6 s PRO 208 CO 0.04 -0.17 0.11 0.54 0.04 0.00 0.00 177.00 177.56 1fr6 s VAL 209 N 1.58 -0.03 -0.02 -0.36 0.11 0.46 -4.87 120.40 117.28 1fr6 s VAL 209 Ca 0.39 0.11 0.04 0.00 -2.93 0.00 0.00 61.98 59.59 1fr6 s VAL 209 Cb -0.17 -0.17 -0.03 0.00 -1.53 0.00 0.00 36.38 34.47 1fr6 s VAL 209 CO 0.16 0.04 -0.11 -1.00 -3.33 0.00 0.00 175.10 170.86 1fr6 s HIS 210 N 0.66 2.77 0.05 1.54 3.76 -1.26 -2.53 115.29 120.28 1fr6 s HIS 210 Ca -0.05 -0.11 -0.34 0.00 -0.15 0.00 0.00 55.06 54.41 1fr6 s HIS 210 Cb -0.07 -1.60 -0.13 0.00 1.11 0.00 0.00 32.58 31.89 1fr6 s HIS 210 CO -0.03 0.28 1.70 1.55 -0.85 0.00 0.00 174.74 177.39 1fr6 n VAL 211 N 1.90 0.25 -2.08 -0.90 3.14 -1.26 -4.96 118.33 114.42 1fr6 n VAL 211 Ca -0.16 -0.04 -0.32 0.00 -2.96 0.00 0.00 64.34 60.85 1fr6 n VAL 211 Cb 0.52 -1.65 -0.00 0.00 -1.06 0.00 0.00 33.84 31.65 1fr6 n VAL 211 CO 0.00 0.00 0.00 -0.44 -6.46 0.00 0.00 176.83 169.93 1fr6 s SER 212 N 2.27 6.25 0.87 6.55 0.01 -1.26 -5.04 113.70 123.36 1fr6 s SER 212 Ca 0.85 1.55 -0.14 0.00 1.31 0.00 0.00 55.95 59.53 1fr6 s SER 212 Cb -0.70 -2.50 0.03 0.00 0.21 0.00 0.00 66.02 63.06 1fr6 s SER 212 CO 0.44 -0.85 0.57 -2.65 0.41 0.00 0.00 173.24 171.17 1fr6 n PRO 213 N -2.21 -0.08 -3.65 12.44 -0.02 -1.26 -5.01 135.00 135.21 1fr6 n PRO 213 Ca 0.07 0.03 -0.00 0.00 -2.02 0.00 0.00 63.50 61.57 1fr6 n PRO 213 Cb 0.54 -1.95 -0.07 0.00 -0.02 0.00 0.00 33.50 32.01 1fr6 n PRO 213 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 1fr6 s GLY 214 N -1.91 0.51 0.13 -1.23 0.00 -1.26 -5.02 107.32 98.54 1fr6 s GLY 214 Ca 0.62 3.71 -0.34 0.00 0.00 0.00 0.00 44.72 48.71 1fr6 s GLY 214 CO 0.62 2.36 1.64 -1.06 0.00 0.00 0.00 173.10 176.66 1fr6 n GLN 215 N 2.31 2.22 -1.33 2.90 1.13 -1.26 0.28 117.38 123.63 1fr6 n GLN 215 Ca -0.14 0.80 -0.09 0.00 -1.94 0.00 0.00 57.00 55.64 1fr6 n GLN 215 Cb 0.57 -2.59 -0.03 0.00 0.11 0.00 0.00 30.24 28.29 1fr6 n GLN 215 CO 0.00 0.00 0.00 1.28 -1.44 0.00 0.00 177.06 176.90 1fr6 n LEU 216 N 3.95 -0.70 0.24 1.08 4.77 -1.26 -4.92 117.00 120.16 1fr6 n LEU 216 Ca 0.18 0.19 -0.16 0.00 -0.03 0.00 0.00 56.01 56.20 1fr6 n LEU 216 Cb 0.30 -1.48 -0.08 0.00 -2.33 0.00 0.00 43.42 39.83 1fr6 n LEU 216 CO 0.65 -0.42 0.67 -2.24 -1.33 0.00 0.00 177.39 174.72 1fr6 h ASP 217 N 0.00 -0.76 -0.51 -1.43 -0.00 -0.57 -2.78 116.42 110.37 1fr6 h ASP 217 Ca -0.18 0.06 0.08 0.00 -0.00 0.00 0.00 57.03 56.99 1fr6 h ASP 217 Cb 0.62 0.24 -0.07 0.00 -0.00 0.00 0.00 39.33 40.12 1fr6 h ASP 217 CO 0.26 -0.44 0.14 0.00 -0.00 0.00 0.00 179.24 179.20 1fr6 h ALA 218 N -0.16 0.60 0.00 4.15 0.00 -1.87 0.28 119.26 122.26 1fr6 h ALA 218 Ca -0.04 0.09 -0.06 0.00 0.00 0.00 0.00 54.91 54.91 1fr6 h ALA 218 Cb 0.58 0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.46 1fr6 h ALA 218 CO 0.01 -0.27 -0.26 0.93 0.00 0.00 0.00 179.25 179.66 1fr6 h GLU 219 N 0.29 0.00 0.00 0.00 3.07 -1.89 -3.32 114.58 112.73 1fr6 h GLU 219 Ca 0.25 0.00 -0.13 0.00 -0.50 0.00 0.00 59.36 58.98 1fr6 h GLU 219 Cb 0.32 0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 28.20 1fr6 h GLU 219 CO -0.30 0.26 -1.49 0.00 -1.40 0.00 0.00 179.01 176.09 1fr6 n ALA 220 N -2.31 1.82 -1.73 3.43 0.00 -1.06 -4.53 120.51 116.13 1fr6 n ALA 220 Ca -0.01 -0.37 0.00 0.00 0.00 0.00 0.00 53.44 53.06 1fr6 n ALA 220 Cb 0.39 0.29 0.00 0.00 0.00 0.00 0.00 19.45 20.12 1fr6 n ALA 220 CO 0.00 0.00 0.00 2.48 0.00 0.00 0.00 177.50 179.98 1fr6 n TYR 221 N -2.72 0.00 -0.91 0.00 4.11 0.67 -3.67 117.16 114.64 1fr6 n TYR 221 Ca -0.15 0.00 0.07 0.00 -0.00 0.00 0.00 57.90 57.82 1fr6 n TYR 221 Cb 0.67 0.06 0.40 0.00 -0.00 0.00 0.00 39.34 40.47 1fr6 n TYR 221 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.86 177.27 1fr6 n GLY 222 N 0.00 3.04 3.79 -7.48 0.00 0.54 -3.78 105.19 101.29 1fr6 n GLY 222 Ca 0.00 -0.93 -0.37 0.00 0.00 0.00 0.00 46.02 44.72 1fr6 n GLY 222 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1fr6 s VAL 223 N -2.78 5.29 -0.12 1.61 1.01 -1.26 -4.55 120.40 119.60 1fr6 s VAL 223 Ca 0.55 0.52 -0.03 0.00 0.00 0.00 0.00 61.98 63.02 1fr6 s VAL 223 Cb 0.42 -3.59 -0.03 0.00 0.00 0.00 0.00 36.38 33.17 1fr6 s VAL 223 CO 0.16 0.49 -0.01 -0.54 0.00 0.00 0.00 175.10 175.20 1fr6 s LYS 224 N -0.22 3.29 0.25 2.72 3.01 0.29 -1.07 119.74 128.01 1fr6 s LYS 224 Ca 0.17 -0.44 -0.19 0.00 -1.01 0.00 0.00 55.97 54.50 1fr6 s LYS 224 Cb -0.13 -2.86 0.02 0.00 -1.01 0.00 0.00 37.83 33.84 1fr6 s LYS 224 CO 0.06 0.51 0.63 0.45 0.51 0.00 0.00 175.35 177.52 1fr6 s SER 225 N -0.36 -0.25 0.13 2.83 0.15 -0.25 0.02 113.70 115.96 1fr6 s SER 225 Ca 0.07 -0.60 0.05 0.00 0.70 0.00 0.00 55.95 56.17 1fr6 s SER 225 Cb -0.12 0.67 -0.04 0.00 -1.71 0.00 0.00 66.02 64.82 1fr6 s SER 225 CO 0.02 -1.23 0.04 -0.94 1.20 0.00 0.00 173.24 172.33 1fr6 s SER 226 N -2.92 5.15 0.31 5.45 1.04 -1.19 0.96 113.70 122.50 1fr6 s SER 226 Ca 0.12 -0.20 0.04 0.00 0.48 0.00 0.00 55.95 56.39 1fr6 s SER 226 Cb -0.04 -1.25 0.66 0.00 0.10 0.00 0.00 66.02 65.49 1fr6 s SER 226 CO 0.04 0.13 1.84 0.58 0.98 0.00 0.00 173.24 176.81 1fr6 h VAL 227 N 2.52 0.87 0.56 5.02 2.07 -1.82 0.95 116.25 126.42 1fr6 h VAL 227 Ca -0.47 -0.30 -0.02 0.00 0.82 0.00 0.00 66.70 66.73 1fr6 h VAL 227 Cb 1.18 -0.08 -0.02 0.00 -1.52 0.00 0.00 31.29 30.85 1fr6 h VAL 227 CO 0.61 0.16 -0.46 0.40 0.02 0.00 0.00 177.57 178.30 1fr6 h ILE 228 N 0.88 0.09 -0.64 4.57 1.08 -1.91 -2.27 117.51 119.30 1fr6 h ILE 228 Ca 0.49 0.00 0.06 0.00 -0.39 0.00 0.00 64.86 65.02 1fr6 h ILE 228 Cb 0.61 0.09 -0.05 0.00 -3.07 0.00 0.00 36.82 34.39 1fr6 h ILE 228 CO -0.26 0.00 0.35 0.44 -0.69 0.00 0.00 178.15 177.99 1fr6 h ASP 229 N -1.00 0.51 -0.85 1.72 5.19 -1.65 -2.62 116.42 117.71 1fr6 h ASP 229 Ca -0.07 0.03 0.10 0.00 -0.62 0.00 0.00 57.03 56.48 1fr6 h ASP 229 Cb 0.85 -0.07 -0.08 0.00 0.18 0.00 0.00 39.33 40.21 1fr6 h ASP 229 CO -0.01 0.33 0.49 0.24 -3.12 0.00 0.00 179.24 177.18 1fr6 h MET 230 N 0.64 0.79 -0.91 3.56 2.86 0.13 -1.35 114.93 120.65 1fr6 h MET 230 Ca 0.29 -0.05 0.01 0.00 -2.06 0.00 0.00 59.70 57.89 1fr6 h MET 230 Cb 0.18 -0.18 -0.04 0.00 0.06 0.00 0.00 31.60 31.62 1fr6 h MET 230 CO -0.18 0.52 0.60 1.15 1.06 0.00 0.00 176.91 180.06 1fr6 h THR 231 N 0.81 1.23 -0.44 2.22 2.02 -1.06 0.11 112.91 117.80 1fr6 h THR 231 Ca 0.42 -0.43 -0.13 0.00 0.77 0.00 0.00 66.41 67.04 1fr6 h THR 231 Cb 0.40 -0.10 -0.01 0.00 -1.74 0.00 0.00 68.15 66.70 1fr6 h THR 231 CO -0.26 0.23 -0.23 0.03 0.37 0.00 0.00 175.52 175.66 1fr6 h ARG 232 N 1.23 0.91 -0.34 6.66 3.08 -1.05 0.44 114.38 125.32 1fr6 h ARG 232 Ca 0.33 -0.39 -0.02 0.00 0.07 0.00 0.00 59.98 59.97 1fr6 h ARG 232 Cb -0.14 -0.03 -0.01 0.00 0.08 0.00 0.00 29.97 29.87 1fr6 h ARG 232 CO -0.07 1.04 0.13 2.35 -1.07 0.00 0.00 179.97 182.35 1fr6 h TRP 233 N 0.79 0.52 -0.51 3.04 2.91 -0.80 0.12 115.95 122.02 1fr6 h TRP 233 Ca 0.10 -0.04 -0.03 0.00 1.13 0.00 0.00 58.89 60.05 1fr6 h TRP 233 Cb 0.79 -0.15 -0.02 0.00 -0.51 0.00 0.00 29.16 29.26 1fr6 h TRP 233 CO 0.05 0.49 0.22 0.28 -1.03 0.00 0.00 178.44 178.45 1fr6 h VAL 234 N 0.40 1.21 -0.21 2.65 2.07 -0.61 -0.81 116.25 120.94 1fr6 h VAL 234 Ca 0.11 -0.62 0.02 0.00 0.82 0.00 0.00 66.70 67.03 1fr6 h VAL 234 Cb 0.20 0.67 -0.02 0.00 -1.52 0.00 0.00 31.29 30.61 1fr6 h VAL 234 CO -0.01 0.24 0.06 1.56 0.02 0.00 0.00 177.57 179.44 1fr6 h GLN 235 N 0.68 0.15 -0.19 1.57 4.20 -0.58 0.61 115.11 121.54 1fr6 h GLN 235 Ca 0.17 -0.01 0.01 0.00 0.06 0.00 0.00 58.65 58.88 1fr6 h GLN 235 Cb 0.17 -0.03 -0.01 0.00 0.30 0.00 0.00 27.48 27.90 1fr6 h GLN 235 CO -0.02 0.10 0.12 0.00 -0.67 0.00 0.00 178.83 178.36 1fr6 h ALA 236 N 1.14 0.24 -0.45 3.87 0.00 -0.58 -2.53 119.26 120.94 1fr6 h ALA 236 Ca 0.09 -0.01 -0.10 0.00 0.00 0.00 0.00 54.91 54.90 1fr6 h ALA 236 Cb 0.07 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 1fr6 h ALA 236 CO -0.10 -0.29 -0.12 -0.91 0.00 0.00 0.00 179.25 177.82 1fr6 h ASN 237 N 0.24 0.82 0.35 0.00 4.21 -0.77 -2.15 115.58 118.27 1fr6 h ASN 237 Ca 0.07 -0.25 0.00 0.00 1.21 0.00 0.00 56.30 57.33 1fr6 h ASN 237 Cb -0.01 -0.22 0.00 0.00 -1.12 0.00 0.00 38.32 36.97 1fr6 h ASN 237 CO -0.03 0.96 0.00 0.80 -1.29 0.00 0.00 177.43 177.86 1fr6 n MET 238 N -4.15 0.08 -2.87 0.81 1.56 0.21 -4.46 117.12 108.29 1fr6 n MET 238 Ca 0.01 0.23 0.04 0.00 -0.27 0.00 0.00 57.70 57.71 1fr6 n MET 238 Cb 0.38 -1.50 0.01 0.00 2.15 0.00 0.00 33.22 34.25 1fr6 n MET 238 CO 0.00 0.00 0.00 0.34 -0.73 0.00 0.00 175.97 175.58 1fr6 s ASP 239 N -2.82 -0.09 0.20 6.12 3.68 -0.90 -4.68 116.67 118.19 1fr6 s ASP 239 Ca 0.09 -0.02 0.21 0.00 2.13 0.00 0.00 52.55 54.96 1fr6 s ASP 239 Cb 0.08 0.50 0.90 0.00 -1.45 0.00 0.00 42.92 42.95 1fr6 s ASP 239 CO 0.21 -0.01 1.65 0.00 0.13 0.00 0.00 175.17 177.15 1fr6 n ALA 240 N 4.16 1.64 0.15 3.66 0.00 -0.86 -3.59 120.51 125.66 1fr6 n ALA 240 Ca 0.07 0.06 0.06 0.00 0.00 0.00 0.00 53.44 53.63 1fr6 n ALA 240 Cb 0.62 -1.35 0.53 0.00 0.00 0.00 0.00 19.45 19.25 1fr6 n ALA 240 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 1fr6 h SER 241 N 0.00 0.20 0.54 0.00 0.02 -1.93 -1.19 113.55 111.19 1fr6 h SER 241 Ca 0.00 -0.01 -0.04 0.00 -0.84 0.00 0.00 61.79 60.90 1fr6 h SER 241 Cb 0.33 -0.05 -0.01 0.00 0.14 0.00 0.00 62.40 62.81 1fr6 h SER 241 CO 0.00 0.17 -0.21 0.06 -1.14 0.00 0.00 176.83 175.71 1fr6 h GLN 242 N 0.23 0.00 -6.29 3.45 3.07 -1.93 -3.42 115.11 110.22 1fr6 h GLN 242 Ca 0.06 0.00 -0.57 0.00 0.09 0.00 0.00 58.65 58.24 1fr6 h GLN 242 Cb 0.02 0.00 -0.04 0.00 0.08 0.00 0.00 27.48 27.54 1fr6 h GLN 242 CO -0.01 0.21 1.02 0.08 0.09 0.00 0.00 178.83 180.22 1fr6 s VAL 243 N -4.01 3.99 0.18 1.86 1.01 -0.45 -4.93 120.40 118.05 1fr6 s VAL 243 Ca -0.02 1.14 -0.05 0.00 0.00 0.00 0.00 61.98 63.05 1fr6 s VAL 243 Cb 0.12 -3.95 -0.05 0.00 0.00 0.00 0.00 36.38 32.50 1fr6 s VAL 243 CO 0.63 -0.34 1.50 0.06 0.00 0.00 0.00 175.10 176.95 1fr6 h GLN 244 N 9.59 0.65 -6.27 2.72 3.07 -1.85 -3.44 115.11 119.59 1fr6 h GLN 244 Ca -0.29 -0.39 -0.55 0.00 0.09 0.00 0.00 58.65 57.51 1fr6 h GLN 244 Cb 1.12 0.04 -0.02 0.00 0.08 0.00 0.00 27.48 28.70 1fr6 h GLN 244 CO 1.01 1.00 0.93 -1.21 0.09 0.00 0.00 178.83 180.66 1fr6 s GLU 245 N -4.09 4.24 0.12 0.06 8.01 -1.26 -4.93 118.70 120.84 1fr6 s GLU 245 Ca -0.08 1.94 -0.25 0.00 0.01 0.00 0.00 54.97 56.59 1fr6 s GLU 245 Cb 0.11 -3.77 -0.07 0.00 -4.31 0.00 0.00 34.13 26.10 1fr6 s GLU 245 CO 0.85 -0.70 1.66 -0.22 0.01 0.00 0.00 175.26 176.86 1fr6 h LYS 246 N 8.49 -0.32 -0.33 1.61 1.63 -2.00 -1.58 116.57 124.07 1fr6 h LYS 246 Ca -0.35 0.02 -0.03 0.00 -0.85 0.00 0.00 60.65 59.45 1fr6 h LYS 246 Cb 1.15 0.07 -0.01 0.00 -0.60 0.00 0.00 32.23 32.84 1fr6 h LYS 246 CO 0.94 -0.21 0.11 1.79 -3.45 0.00 0.00 179.45 178.63 1fr6 h THR 247 N -0.33 1.20 -0.99 1.00 1.35 -1.92 -2.58 112.91 110.64 1fr6 h THR 247 Ca 0.05 -0.65 0.01 0.00 -0.55 0.00 0.00 66.41 65.26 1fr6 h THR 247 Cb 0.39 1.01 -0.05 0.00 -1.73 0.00 0.00 68.15 67.77 1fr6 h THR 247 CO -0.16 0.22 0.65 0.25 -0.25 0.00 0.00 175.52 176.23 1fr6 h LEU 248 N 0.38 1.14 0.07 3.87 5.85 -1.86 -1.50 115.31 123.26 1fr6 h LEU 248 Ca 0.11 -0.03 -0.00 0.00 0.84 0.00 0.00 57.88 58.79 1fr6 h LEU 248 Cb 0.24 -0.28 0.00 0.00 0.37 0.00 0.00 40.66 40.99 1fr6 h LEU 248 CO -0.00 0.83 -0.03 -0.61 -0.34 0.00 0.00 178.44 178.28 1fr6 h GLN 249 N 1.34 -0.09 -0.47 1.25 4.15 -1.12 -2.29 115.11 117.88 1fr6 h GLN 249 Ca 0.36 0.01 -0.05 0.00 0.77 0.00 0.00 58.65 59.74 1fr6 h GLN 249 Cb -0.15 0.02 -0.02 0.00 0.21 0.00 0.00 27.48 27.54 1fr6 h GLN 249 CO -0.08 -0.06 0.10 1.96 -1.93 0.00 0.00 178.83 178.83 1fr6 h GLN 250 N -0.10 0.71 -0.45 1.69 4.20 -1.27 -2.39 115.11 117.51 1fr6 h GLN 250 Ca -0.01 -0.14 0.05 0.00 0.06 0.00 0.00 58.65 58.61 1fr6 h GLN 250 Cb 0.08 -0.11 -0.05 0.00 0.30 0.00 0.00 27.48 27.70 1fr6 h GLN 250 CO 0.02 0.65 0.18 0.78 -0.67 0.00 0.00 178.83 179.79 1fr6 h GLY 251 N 0.90 0.60 1.42 3.46 0.00 -1.09 0.22 103.07 108.57 1fr6 h GLY 251 Ca 0.15 -0.11 -0.10 0.00 0.00 0.00 0.00 47.33 47.28 1fr6 h GLY 251 CO -0.00 0.04 -0.17 -2.22 0.00 0.00 0.00 176.54 174.20 1fr6 h ILE 252 N 0.36 1.26 -0.14 2.60 2.04 -1.03 -1.42 117.51 121.18 1fr6 h ILE 252 Ca 0.21 -1.21 -0.11 0.00 1.00 0.00 0.00 64.86 64.75 1fr6 h ILE 252 Cb 0.18 1.15 -0.01 0.00 -0.74 0.00 0.00 36.82 37.40 1fr6 h ILE 252 CO -0.19 0.40 -0.38 -0.08 0.00 0.00 0.00 178.15 177.90 1fr6 h GLU 253 N 0.62 0.31 -0.06 2.37 4.22 -0.79 -3.08 114.58 118.16 1fr6 h GLU 253 Ca 0.10 -0.14 -0.09 0.00 0.08 0.00 0.00 59.36 59.31 1fr6 h GLU 253 Cb 0.63 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.88 1fr6 h GLU 253 CO 0.04 0.65 -0.30 -0.07 -2.18 0.00 0.00 179.01 177.16 1fr6 h LEU 254 N 0.27 0.37 -0.52 1.64 3.38 -0.10 -3.09 115.31 117.26 1fr6 h LEU 254 Ca 0.03 -0.65 0.00 0.00 0.09 0.00 0.00 57.88 57.35 1fr6 h LEU 254 Cb 0.80 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.44 1fr6 h LEU 254 CO 0.06 0.96 0.00 0.00 0.09 0.00 0.00 178.44 179.55 1fr6 n ALA 255 N -2.50 1.55 0.10 1.53 0.00 -0.58 -2.01 120.51 118.59 1fr6 n ALA 255 Ca -0.08 0.05 0.06 0.00 0.00 0.00 0.00 53.44 53.47 1fr6 n ALA 255 Cb 0.49 -1.31 0.12 0.00 0.00 0.00 0.00 19.45 18.76 1fr6 n ALA 255 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1fr6 n GLN 256 N -1.96 2.00 -2.69 0.00 6.02 -1.17 -0.25 117.38 119.33 1fr6 n GLN 256 Ca 0.02 -1.77 -0.34 0.00 -0.01 0.00 0.00 57.00 54.90 1fr6 n GLN 256 Cb 0.17 -1.28 -0.05 0.00 1.02 0.00 0.00 30.24 30.10 1fr6 n GLN 256 CO 0.00 0.00 0.00 -1.12 -1.01 0.00 0.00 177.06 174.93 1fr6 s SER 257 N -1.02 6.71 -0.33 1.08 0.01 -0.85 -3.91 113.70 115.39 1fr6 s SER 257 Ca 0.22 1.81 -0.15 0.00 1.31 0.00 0.00 55.95 59.14 1fr6 s SER 257 Cb 0.12 -2.55 -0.02 0.00 0.21 0.00 0.00 66.02 63.78 1fr6 s SER 257 CO 0.17 -0.52 0.34 -0.13 0.41 0.00 0.00 173.24 173.52 1fr6 s ARG 258 N -3.11 3.64 -0.15 12.44 0.52 0.21 -3.97 118.95 128.55 1fr6 s ARG 258 Ca 0.63 -0.37 0.09 0.00 -0.52 0.00 0.00 55.73 55.56 1fr6 s ARG 258 Cb -0.13 -3.78 -0.23 0.00 0.52 0.00 0.00 34.95 31.33 1fr6 s ARG 258 CO 0.17 -0.47 0.26 0.66 0.02 0.00 0.00 175.30 175.94 1fr6 n TYR 259 N 5.34 0.55 -3.97 -0.53 4.02 -0.29 -0.56 117.16 121.72 1fr6 n TYR 259 Ca -0.10 0.16 -0.08 0.00 -0.01 0.00 0.00 57.90 57.88 1fr6 n TYR 259 Cb 0.50 -1.09 -0.09 0.00 -0.02 0.00 0.00 39.34 38.64 1fr6 n TYR 259 CO 0.00 0.00 0.00 -1.58 -1.01 0.00 0.00 176.86 174.27 1fr6 s TRP 260 N -2.54 0.31 -0.12 -0.72 0.52 -1.25 0.22 118.94 115.35 1fr6 s TRP 260 Ca -0.15 -0.73 0.02 0.00 0.02 0.00 0.00 56.10 55.25 1fr6 s TRP 260 Cb 0.07 -0.21 0.01 0.00 -1.15 0.00 0.00 33.47 32.19 1fr6 s TRP 260 CO 0.77 -0.41 -0.18 0.50 0.02 0.00 0.00 176.95 177.65 1fr6 s ARG 261 N -3.39 2.52 -0.54 4.98 3.52 0.16 -2.13 118.95 124.07 1fr6 s ARG 261 Ca 0.02 -0.67 0.05 0.00 -0.13 0.00 0.00 55.73 55.00 1fr6 s ARG 261 Cb 0.04 -2.09 0.19 0.00 -1.56 0.00 0.00 34.95 31.52 1fr6 s ARG 261 CO -0.08 -0.04 0.47 -0.89 -0.81 0.00 0.00 175.30 173.95 1fr6 n ILE 262 N 4.15 0.31 -3.07 4.11 -0.00 0.17 -0.27 119.36 124.76 1fr6 n ILE 262 Ca -0.19 -4.24 -0.00 0.00 -0.00 0.00 0.00 62.75 58.31 1fr6 n ILE 262 Cb 0.51 -1.94 -0.00 0.00 -0.00 0.00 0.00 39.64 38.21 1fr6 n ILE 262 CO 0.00 0.00 0.00 0.61 -0.00 0.00 0.00 176.55 177.16 1fr6 n GLY 263 N 2.06 -0.52 3.79 7.39 0.00 -1.26 -3.14 105.19 113.52 1fr6 n GLY 263 Ca 0.25 0.15 0.00 0.00 0.00 0.00 0.00 46.02 46.42 1fr6 n GLY 263 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1fr6 n ASP 264 N 2.05 0.00 -4.38 1.61 5.75 -1.26 -4.93 116.55 115.38 1fr6 n ASP 264 Ca -0.03 0.00 -0.30 0.00 -0.01 0.00 0.00 54.79 54.45 1fr6 n ASP 264 Cb 0.20 -0.47 -0.14 0.00 -1.03 0.00 0.00 41.12 39.68 1fr6 n ASP 264 CO 0.00 0.00 0.00 -0.32 -0.11 0.00 0.00 177.20 176.77 1fr6 s MET 265 N 0.00 1.86 0.04 0.11 0.00 -1.19 -4.40 119.30 115.73 1fr6 s MET 265 Ca 0.00 -1.08 0.07 0.00 0.00 0.00 0.00 55.69 54.68 1fr6 s MET 265 Cb 0.00 -2.04 -0.02 0.00 0.00 0.00 0.00 34.83 32.76 1fr6 s MET 265 CO 0.00 0.52 -0.20 0.71 0.00 0.00 0.00 175.02 176.05 1fr6 s TYR 266 N -0.86 1.75 -0.19 4.11 1.51 0.26 0.42 117.35 124.34 1fr6 s TYR 266 Ca 0.13 -0.37 -0.05 0.00 -1.01 0.00 0.00 57.07 55.77 1fr6 s TYR 266 Cb -0.10 -1.04 -0.02 0.00 -0.11 0.00 0.00 41.96 40.68 1fr6 s TYR 266 CO 0.03 0.09 -0.01 -1.14 -1.11 0.00 0.00 175.55 173.41 1fr6 s GLN 267 N -1.19 3.61 0.00 -0.62 2.00 -0.91 -0.53 119.66 122.02 1fr6 s GLN 267 Ca 0.07 -0.53 0.00 0.00 -2.00 0.00 0.00 55.36 52.90 1fr6 s GLN 267 Cb -0.09 -3.05 0.00 0.00 0.80 0.00 0.00 33.01 30.68 1fr6 s GLN 267 CO 0.02 0.04 0.00 0.41 -0.50 0.00 0.00 175.29 175.25 1fr6 n GLY 268 N 4.16 3.06 3.26 2.59 0.00 -0.23 -1.13 105.19 116.90 1fr6 n GLY 268 Ca -0.17 -1.75 -0.40 0.00 0.00 0.00 0.00 46.02 43.69 1fr6 n GLY 268 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1fr6 s LEU 269 N 0.00 5.17 0.00 0.99 1.43 0.66 -4.67 118.68 122.26 1fr6 s LEU 269 Ca 0.00 -1.53 0.00 0.00 -1.03 0.00 0.00 54.13 51.57 1fr6 s LEU 269 Cb 0.00 -1.98 0.00 0.00 0.03 0.00 0.00 46.19 44.24 1fr6 s LEU 269 CO 0.00 -0.54 0.00 0.61 0.23 0.00 0.00 176.35 176.65 1fr6 n GLY 270 N 4.90 1.38 3.77 -3.19 0.00 -1.26 -4.47 105.19 106.32 1fr6 n GLY 270 Ca -0.10 -0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.54 1fr6 n GLY 270 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1fr6 s TRP 271 N 0.00 3.58 -0.12 1.61 0.23 -1.26 -4.63 118.94 118.35 1fr6 s TRP 271 Ca 0.00 1.74 0.02 0.00 -2.03 0.00 0.00 56.10 55.83 1fr6 s TRP 271 Cb 0.00 -3.12 0.01 0.00 0.03 0.00 0.00 33.47 30.39 1fr6 s TRP 271 CO 0.00 -0.26 -0.18 -1.21 0.96 0.00 0.00 176.95 176.26 1fr6 s GLU 272 N -1.80 2.56 0.22 4.98 2.02 -1.16 -1.07 118.70 124.45 1fr6 s GLU 272 Ca 0.49 -0.69 0.08 0.00 0.02 0.00 0.00 54.97 54.86 1fr6 s GLU 272 Cb -0.26 -2.09 -0.05 0.00 0.10 0.00 0.00 34.13 31.83 1fr6 s GLU 272 CO 0.33 -0.01 -0.13 0.00 0.02 0.00 0.00 175.26 175.46 1fr6 s MET 273 N 0.83 1.39 0.08 1.61 0.23 0.31 -2.01 119.30 121.73 1fr6 s MET 273 Ca -0.09 -1.63 0.06 0.00 -1.03 0.00 0.00 55.69 53.00 1fr6 s MET 273 Cb -0.16 -1.16 -0.03 0.00 -1.53 0.00 0.00 34.83 31.96 1fr6 s MET 273 CO -0.00 0.17 -0.16 -0.51 -2.03 0.00 0.00 175.02 172.49 1fr6 s LEU 274 N -3.35 2.27 0.45 0.18 1.02 -0.87 -0.58 118.68 117.81 1fr6 s LEU 274 Ca 0.24 -0.62 -0.24 0.00 0.02 0.00 0.00 54.13 53.53 1fr6 s LEU 274 Cb -0.00 -0.62 -0.07 0.00 0.02 0.00 0.00 46.19 45.51 1fr6 s LEU 274 CO 0.08 -0.03 1.25 0.20 0.02 0.00 0.00 176.35 177.87 1fr6 s ASN 275 N -1.74 6.08 -0.05 2.29 0.01 -1.26 0.11 114.94 120.39 1fr6 s ASN 275 Ca 0.00 2.51 0.04 0.00 -0.71 0.00 0.00 52.86 54.71 1fr6 s ASN 275 Cb -0.10 -2.62 -0.02 0.00 0.41 0.00 0.00 41.25 38.92 1fr6 s ASN 275 CO 0.03 -0.99 -0.17 0.86 -1.51 0.00 0.00 177.10 175.31 1fr6 s TRP 276 N -1.39 2.62 0.39 2.20 -0.11 -1.10 -3.95 118.94 117.59 1fr6 s TRP 276 Ca 0.62 -0.25 -0.25 0.00 1.22 0.00 0.00 56.10 57.44 1fr6 s TRP 276 Cb -0.34 -1.61 -0.09 0.00 -1.50 0.00 0.00 33.47 29.93 1fr6 s TRP 276 CO 0.42 0.11 1.09 -1.25 -4.62 0.00 0.00 176.95 172.70 1fr6 s PRO 277 N -0.64 4.19 0.08 5.86 0.05 -1.26 -4.69 135.00 138.58 1fr6 s PRO 277 Ca 0.10 1.63 0.06 0.00 0.05 0.00 0.00 61.00 62.84 1fr6 s PRO 277 Cb -0.11 -2.65 -0.04 0.00 0.05 0.00 0.00 34.50 31.75 1fr6 s PRO 277 CO 0.01 -0.15 -0.08 0.54 0.05 0.00 0.00 177.00 177.36 1fr6 s VAL 278 N -1.53 3.50 -0.41 -0.36 0.11 -1.25 -5.11 120.40 115.34 1fr6 s VAL 278 Ca 0.56 -1.13 -0.28 0.00 -2.93 0.00 0.00 61.98 58.21 1fr6 s VAL 278 Cb -0.26 -2.61 0.02 0.00 -1.53 0.00 0.00 36.38 32.01 1fr6 s VAL 278 CO 0.32 0.18 1.05 -0.54 -3.33 0.00 0.00 175.10 172.78 1fr6 s LYS 279 N -2.04 3.81 0.29 1.54 1.02 -1.26 -4.93 119.74 118.18 1fr6 s LYS 279 Ca 0.21 0.64 -0.01 0.00 0.02 0.00 0.00 55.97 56.83 1fr6 s LYS 279 Cb -0.11 -3.84 0.66 0.00 -0.52 0.00 0.00 37.83 34.02 1fr6 s LYS 279 CO 0.13 -1.14 1.58 0.00 -0.92 0.00 0.00 175.35 175.00 1fr6 h ALA 280 N 8.75 1.04 -0.65 5.17 0.00 -2.00 0.60 119.26 132.17 1fr6 h ALA 280 Ca -0.23 0.33 0.06 0.00 0.00 0.00 0.00 54.91 55.08 1fr6 h ALA 280 Cb 1.07 0.59 -0.06 0.00 0.00 0.00 0.00 17.79 19.39 1fr6 h ALA 280 CO 1.06 -0.52 0.35 0.22 0.00 0.00 0.00 179.25 180.36 1fr6 h ASP 281 N 0.03 0.50 -0.02 0.00 -0.00 -1.98 0.12 116.42 115.08 1fr6 h ASP 281 Ca 0.55 0.04 0.03 0.00 -0.00 0.00 0.00 57.03 57.65 1fr6 h ASP 281 Cb 1.08 -0.06 -0.04 0.00 -0.00 0.00 0.00 39.33 40.31 1fr6 h ASP 281 CO -0.89 0.32 -0.20 -1.28 -0.00 0.00 0.00 179.24 177.19 1fr6 h SER 282 N 0.64 -0.59 1.25 2.28 0.87 -0.19 -0.65 113.55 117.16 1fr6 h SER 282 Ca 0.30 0.09 -0.15 0.00 -1.23 0.00 0.00 61.79 60.79 1fr6 h SER 282 Cb 0.22 0.25 -0.02 0.00 -0.44 0.00 0.00 62.40 62.40 1fr6 h SER 282 CO -0.20 -0.26 -0.71 0.16 -0.53 0.00 0.00 176.83 175.29 1fr6 h ILE 283 N -0.31 1.24 -0.08 2.23 3.07 -1.42 -0.19 117.51 122.05 1fr6 h ILE 283 Ca 0.06 -2.71 -0.16 0.00 1.55 0.00 0.00 64.86 63.60 1fr6 h ILE 283 Cb 0.40 2.59 -0.01 0.00 -0.27 0.00 0.00 36.82 39.52 1fr6 h ILE 283 CO -0.20 0.70 -0.66 0.40 -1.05 0.00 0.00 178.15 177.34 1fr6 h ILE 284 N 0.00 1.39 0.00 0.16 2.04 -0.60 -3.16 117.51 117.34 1fr6 h ILE 284 Ca -0.01 -2.06 -0.03 0.00 1.00 0.00 0.00 64.86 63.76 1fr6 h ILE 284 Cb 1.53 2.05 -0.01 0.00 -0.74 0.00 0.00 36.82 39.65 1fr6 h ILE 284 CO 0.09 0.62 -1.35 -1.54 0.00 0.00 0.00 178.15 175.97 1fr6 n SER 285 N -3.85 0.61 -0.00 1.72 3.41 -0.27 -4.05 113.62 111.19 1fr6 n SER 285 Ca -0.03 0.24 0.14 0.00 -0.26 0.00 0.00 58.87 58.96 1fr6 n SER 285 Cb 0.66 0.83 0.61 0.00 -0.26 0.00 0.00 64.21 66.05 1fr6 n SER 285 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1fr6 n GLY 286 N 1.24 -1.47 0.10 5.00 0.00 -0.09 -3.17 105.19 106.81 1fr6 n GLY 286 Ca -0.03 -0.12 0.13 0.00 0.00 0.00 0.00 46.02 46.00 1fr6 n GLY 286 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1fr6 n SER 287 N -1.49 0.64 -4.73 1.61 3.41 -1.19 -3.20 113.62 108.67 1fr6 n SER 287 Ca 0.07 -0.46 -0.42 0.00 -0.26 0.00 0.00 58.87 57.80 1fr6 n SER 287 Cb 0.33 0.09 -0.03 0.00 -0.26 0.00 0.00 64.21 64.35 1fr6 n SER 287 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1fr6 s ASP 288 N -2.74 7.05 0.27 4.04 2.15 -1.19 -4.50 116.67 121.75 1fr6 s ASP 288 Ca 0.19 2.17 0.11 0.00 0.43 0.00 0.00 52.55 55.45 1fr6 s ASP 288 Cb 0.19 -2.59 0.87 0.00 -0.30 0.00 0.00 42.92 41.08 1fr6 s ASP 288 CO 0.59 -0.44 1.21 -1.20 -0.17 0.00 0.00 175.17 175.16 1fr6 n SER 289 N 3.15 0.13 0.26 -0.34 7.64 -1.26 0.42 113.62 123.63 1fr6 n SER 289 Ca 0.07 1.29 0.18 0.00 1.01 0.00 0.00 58.87 61.42 1fr6 n SER 289 Cb 0.45 -0.57 0.82 0.00 -1.01 0.00 0.00 64.21 63.91 1fr6 n SER 289 CO 0.00 0.00 0.00 0.07 -3.01 0.00 0.00 175.04 172.10 1fr6 h LYS 290 N 0.00 0.00 0.00 1.43 2.10 -1.93 -2.44 116.57 115.73 1fr6 h LYS 290 Ca 0.58 0.00 -0.10 0.00 -2.00 0.00 0.00 60.65 59.13 1fr6 h LYS 290 Cb 1.44 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 32.75 1fr6 h LYS 290 CO -0.64 0.00 -1.23 0.28 -2.00 0.00 0.00 179.45 175.86 1fr6 n VAL 291 N -2.88 0.51 -0.17 0.07 0.31 0.17 -4.42 118.33 111.93 1fr6 n VAL 291 Ca -0.01 -0.04 -0.02 0.00 -0.01 0.00 0.00 64.34 64.27 1fr6 n VAL 291 Cb 0.19 -1.62 0.07 0.00 -0.91 0.00 0.00 33.84 31.57 1fr6 n VAL 291 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1fr6 h ALA 292 N -0.25 0.61 -0.22 3.52 0.00 -1.08 -2.64 119.26 119.19 1fr6 h ALA 292 Ca -0.15 0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.84 1fr6 h ALA 292 Cb 1.03 0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.91 1fr6 h ALA 292 CO -0.09 -0.26 0.00 1.28 0.00 0.00 0.00 179.25 180.18 1fr6 n LEU 293 N -5.05 2.66 -4.89 0.00 4.77 -0.92 -4.58 117.00 108.98 1fr6 n LEU 293 Ca 0.06 -1.07 -0.31 0.00 -0.03 0.00 0.00 56.01 54.66 1fr6 n LEU 293 Cb 0.23 -0.14 -0.05 0.00 -2.33 0.00 0.00 43.42 41.14 1fr6 n LEU 293 CO 0.22 0.53 0.18 0.00 -1.33 0.00 0.00 177.39 176.99 1fr6 s ALA 294 N -1.73 3.62 -0.44 -1.18 0.00 -1.00 -4.81 121.76 116.23 1fr6 s ALA 294 Ca 0.35 -0.40 -0.29 0.00 0.00 0.00 0.00 51.96 51.62 1fr6 s ALA 294 Cb 0.20 -2.34 0.02 0.00 0.00 0.00 0.00 23.12 21.00 1fr6 s ALA 294 CO 0.30 0.47 1.22 0.00 0.00 0.00 0.00 175.76 177.76 1fr6 s ALA 295 N -1.86 3.15 0.14 0.00 0.00 -1.26 -4.67 121.76 117.26 1fr6 s ALA 295 Ca 0.45 -0.34 0.10 0.00 0.00 0.00 0.00 51.96 52.17 1fr6 s ALA 295 Cb -0.11 -3.89 -0.04 0.00 0.00 0.00 0.00 23.12 19.07 1fr6 s ALA 295 CO 0.24 -2.24 -0.23 -0.51 0.00 0.00 0.00 175.76 173.02 1fr6 s LEU 296 N 4.71 2.36 0.05 0.00 1.43 -0.39 -4.90 118.68 121.93 1fr6 s LEU 296 Ca 0.52 -0.77 -0.30 0.00 -1.03 0.00 0.00 54.13 52.55 1fr6 s LEU 296 Cb -0.10 -1.02 -0.08 0.00 0.03 0.00 0.00 46.19 45.03 1fr6 s LEU 296 CO 0.31 0.09 1.63 -2.16 0.23 0.00 0.00 176.35 176.44 1fr6 s PRO 297 N -2.26 4.21 -0.06 1.29 0.04 -1.26 0.11 135.00 137.06 1fr6 s PRO 297 Ca 0.13 2.28 0.04 0.00 0.04 0.00 0.00 61.00 63.49 1fr6 s PRO 297 Cb -0.09 -3.64 -0.02 0.00 0.04 0.00 0.00 34.50 30.79 1fr6 s PRO 297 CO 0.06 -0.73 -0.18 0.00 0.04 0.00 0.00 177.00 176.20 1fr6 s ALA 298 N 2.77 2.49 -0.47 8.56 0.00 -1.05 -4.64 121.76 129.41 1fr6 s ALA 298 Ca 0.73 -0.99 -0.16 0.00 0.00 0.00 0.00 51.96 51.53 1fr6 s ALA 298 Cb -0.38 -0.90 0.06 0.00 0.00 0.00 0.00 23.12 21.90 1fr6 s ALA 298 CO 0.31 0.47 0.44 0.08 0.00 0.00 0.00 175.76 177.07 1fr6 s VAL 299 N -0.40 5.15 -0.02 0.00 1.01 0.63 -4.79 120.40 121.99 1fr6 s VAL 299 Ca 0.04 -0.88 -0.32 0.00 0.00 0.00 0.00 61.98 60.82 1fr6 s VAL 299 Cb -0.12 -4.15 -0.11 0.00 0.00 0.00 0.00 36.38 32.00 1fr6 s VAL 299 CO 0.02 -0.61 1.91 1.21 0.00 0.00 0.00 175.10 177.64 1fr6 n GLU 300 N 5.44 2.51 -3.37 2.72 2.13 -1.26 0.38 120.64 129.19 1fr6 n GLU 300 Ca -0.11 0.92 -0.45 0.00 0.66 0.00 0.00 57.16 58.18 1fr6 n GLU 300 Cb 0.44 -2.81 -0.02 0.00 0.27 0.00 0.00 31.44 29.32 1fr6 n GLU 300 CO 0.00 0.00 0.00 0.08 -0.41 0.00 0.00 177.13 176.80 1fr6 s VAL 301 N 4.08 5.63 -0.07 6.31 1.01 0.13 -4.90 120.40 132.59 1fr6 s VAL 301 Ca 0.90 -3.00 -0.00 0.00 0.00 0.00 0.00 61.98 59.88 1fr6 s VAL 301 Cb -0.57 -4.44 0.02 0.00 0.00 0.00 0.00 36.38 31.40 1fr6 s VAL 301 CO 0.46 -1.10 -0.04 0.21 0.00 0.00 0.00 175.10 174.64 1fr6 s ASN 302 N 1.58 1.46 0.48 3.32 2.47 -1.26 -2.67 114.94 120.31 1fr6 s ASN 302 Ca 0.24 -0.15 -0.23 0.00 0.42 0.00 0.00 52.86 53.14 1fr6 s ASN 302 Cb -0.10 -0.54 -0.08 0.00 -1.45 0.00 0.00 41.25 39.08 1fr6 s ASN 302 CO -0.08 -0.11 1.19 -0.81 -3.72 0.00 0.00 177.10 173.57 1fr6 n PRO 303 N 4.60 1.60 -0.85 0.43 -0.04 -1.26 -5.12 135.00 134.36 1fr6 n PRO 303 Ca -0.16 0.58 -0.33 0.00 -0.04 0.00 0.00 63.50 63.55 1fr6 n PRO 303 Cb 0.50 -2.34 0.14 0.00 -0.04 0.00 0.00 33.50 31.76 1fr6 n PRO 303 CO 0.00 0.00 0.00 -2.30 -0.04 0.00 0.00 175.50 173.16 1fr6 n PRO 304 N -0.38 -0.22 -3.64 0.54 -0.02 -1.09 -5.00 135.00 125.19 1fr6 n PRO 304 Ca 0.09 -0.00 -0.33 0.00 -2.02 0.00 0.00 63.50 61.24 1fr6 n PRO 304 Cb 0.42 -2.16 -0.05 0.00 -0.02 0.00 0.00 33.50 31.69 1fr6 n PRO 304 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1fr6 s ALA 305 N -2.40 3.77 0.17 3.55 0.00 0.27 -4.87 121.76 122.25 1fr6 s ALA 305 Ca 0.65 -0.48 -0.25 0.00 0.00 0.00 0.00 51.96 51.87 1fr6 s ALA 305 Cb -0.24 -2.18 -0.08 0.00 0.00 0.00 0.00 23.12 20.61 1fr6 s ALA 305 CO 0.60 0.62 0.77 -1.25 0.00 0.00 0.00 175.76 176.50 1fr6 s PRO 306 N -2.23 4.54 -0.13 0.00 0.04 -1.26 0.68 135.00 136.64 1fr6 s PRO 306 Ca 0.36 1.14 -0.40 0.00 0.04 0.00 0.00 61.00 62.14 1fr6 s PRO 306 Cb -0.13 -3.23 -0.18 0.00 0.04 0.00 0.00 34.50 31.01 1fr6 s PRO 306 CO 0.21 0.56 1.45 0.00 0.04 0.00 0.00 177.00 179.26 1fr6 n ALA 307 N 1.52 -1.31 -2.44 8.56 0.00 -1.25 -4.81 120.51 120.77 1fr6 n ALA 307 Ca -0.05 0.49 -0.31 0.00 0.00 0.00 0.00 53.44 53.57 1fr6 n ALA 307 Cb 0.49 -2.04 -0.13 0.00 0.00 0.00 0.00 19.45 17.77 1fr6 n ALA 307 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 1fr6 s VAL 308 N 1.72 2.72 0.32 0.00 -7.23 -1.26 -5.02 120.40 111.64 1fr6 s VAL 308 Ca 0.93 -1.17 0.25 0.00 -1.81 0.00 0.00 61.98 60.18 1fr6 s VAL 308 Cb -1.14 -2.12 0.25 0.00 0.56 0.00 0.00 36.38 33.93 1fr6 s VAL 308 CO 0.60 0.37 1.97 0.11 -0.31 0.00 0.00 175.10 177.83 1fr6 h LYS 309 N 4.65 0.00 -3.50 4.82 1.79 -1.96 -3.34 116.57 119.03 1fr6 h LYS 309 Ca -0.47 0.00 -0.77 0.00 -2.18 0.00 0.00 60.65 57.22 1fr6 h LYS 309 Cb 1.15 0.00 -0.30 0.00 -1.58 0.00 0.00 32.23 31.50 1fr6 h LYS 309 CO 0.47 0.19 0.31 0.00 -1.08 0.00 0.00 179.45 179.34 1fr6 s ALA 310 N -4.02 4.62 0.16 3.86 0.00 -1.26 -0.37 121.76 124.76 1fr6 s ALA 310 Ca -0.02 -3.86 -0.10 0.00 0.00 0.00 0.00 51.96 47.99 1fr6 s ALA 310 Cb 0.12 -3.37 -0.01 0.00 0.00 0.00 0.00 23.12 19.87 1fr6 s ALA 310 CO 0.62 -2.19 0.30 -1.12 0.00 0.00 0.00 175.76 173.37 1fr6 s SER 311 N 0.92 0.02 -0.33 0.00 0.01 -1.26 -2.72 113.70 110.34 1fr6 s SER 311 Ca 0.30 -0.83 0.03 0.00 1.31 0.00 0.00 55.95 56.76 1fr6 s SER 311 Cb -0.09 0.44 0.10 0.00 0.21 0.00 0.00 66.02 66.68 1fr6 s SER 311 CO -0.09 -0.90 0.03 0.86 0.41 0.00 0.00 173.24 173.55 1fr6 s TRP 312 N -3.96 3.55 0.11 2.43 -0.11 0.12 -4.25 118.94 116.82 1fr6 s TRP 312 Ca 0.16 -2.83 -0.18 0.00 1.22 0.00 0.00 56.10 54.48 1fr6 s TRP 312 Cb 0.03 -2.71 -0.07 0.00 -1.50 0.00 0.00 33.47 29.22 1fr6 s TRP 312 CO -0.01 -0.93 0.58 0.08 -4.62 0.00 0.00 176.95 172.05 1fr6 s VAL 313 N 0.98 4.74 -0.00 5.86 1.01 -0.48 -2.05 120.40 130.47 1fr6 s VAL 313 Ca 0.09 1.13 -0.30 0.00 0.00 0.00 0.00 61.98 62.90 1fr6 s VAL 313 Cb -0.19 -3.86 0.11 0.00 0.00 0.00 0.00 36.38 32.45 1fr6 s VAL 313 CO -0.09 0.44 1.22 -1.38 0.00 0.00 0.00 175.10 175.29 1fr6 s HIS 314 N -1.25 -0.07 -0.28 5.22 -0.00 -0.85 -1.34 115.29 116.72 1fr6 s HIS 314 Ca 0.33 -0.07 -0.20 0.00 -0.00 0.00 0.00 55.06 55.12 1fr6 s HIS 314 Cb -0.18 0.56 0.12 0.00 -0.00 0.00 0.00 32.58 33.08 1fr6 s HIS 314 CO 0.19 -0.36 0.92 0.21 -0.00 0.00 0.00 174.74 175.70 1fr6 s LYS 315 N -2.57 0.53 0.30 -0.38 2.47 -0.50 -2.97 119.74 116.61 1fr6 s LYS 315 Ca 0.13 0.78 0.04 0.00 -1.56 0.00 0.00 55.97 55.36 1fr6 s LYS 315 Cb 0.03 0.18 -0.02 0.00 -1.46 0.00 0.00 37.83 36.56 1fr6 s LYS 315 CO -0.03 -0.09 0.44 0.95 0.16 0.00 0.00 175.35 176.79 1fr6 s THR 316 N 0.89 4.85 -0.22 3.43 -4.23 -1.26 -1.97 115.64 117.14 1fr6 s THR 316 Ca -0.04 -0.86 -0.27 0.00 -1.18 0.00 0.00 61.69 59.34 1fr6 s THR 316 Cb -0.05 -3.72 0.09 0.00 1.34 0.00 0.00 72.50 70.16 1fr6 s THR 316 CO -0.11 -0.33 0.83 -0.83 -0.54 0.00 0.00 174.62 173.64 1fr6 s GLY 317 N -4.05 -0.41 0.10 3.99 0.00 -0.87 -3.69 107.32 102.38 1fr6 s GLY 317 Ca 0.39 2.06 -0.00 0.00 0.00 0.00 0.00 44.72 47.17 1fr6 s GLY 317 CO 0.31 1.53 0.00 -0.56 0.00 0.00 0.00 173.10 174.38 1fr6 s SER 318 N -0.15 0.57 -0.24 1.64 0.01 -1.26 -1.03 113.70 113.23 1fr6 s SER 318 Ca -0.02 -1.09 -0.26 0.00 1.31 0.00 0.00 55.95 55.89 1fr6 s SER 318 Cb -0.03 0.22 0.09 0.00 0.21 0.00 0.00 66.02 66.50 1fr6 s SER 318 CO 0.01 -0.63 0.84 0.42 0.41 0.00 0.00 173.24 174.29 1fr6 s THR 319 N -3.91 0.00 0.00 1.44 -4.23 -0.12 -3.94 115.64 104.88 1fr6 s THR 319 Ca 0.15 0.00 0.00 0.00 -1.18 0.00 0.00 61.69 60.66 1fr6 s THR 319 Cb 0.07 -1.00 0.00 0.00 1.34 0.00 0.00 72.50 72.91 1fr6 s THR 319 CO -0.04 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.65 1fr6 n GLY 320 N 2.16 0.00 0.28 3.99 0.00 -1.26 0.26 105.19 110.62 1fr6 n GLY 320 Ca -0.14 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.00 1fr6 n GLY 320 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1fr6 n GLY 321 N -0.20 -0.37 2.99 -0.02 0.00 -1.26 -3.85 105.19 102.48 1fr6 n GLY 321 Ca 0.00 -0.30 -0.20 0.00 0.00 0.00 0.00 46.02 45.52 1fr6 n GLY 321 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1fr6 s PHE 322 N -1.94 0.89 -0.13 1.61 0.08 0.74 0.19 117.98 119.42 1fr6 s PHE 322 Ca 0.36 -0.22 0.02 0.00 0.12 0.00 0.00 56.93 57.20 1fr6 s PHE 322 Cb 0.18 -0.65 -0.00 0.00 -0.57 0.00 0.00 43.02 41.98 1fr6 s PHE 322 CO 0.29 -0.11 -0.18 0.20 -0.10 0.00 0.00 175.22 175.32 1fr6 s GLY 323 N 0.26 1.43 0.04 4.36 0.00 -1.11 -0.94 107.32 111.35 1fr6 s GLY 323 Ca -0.04 -1.01 0.02 0.00 0.00 0.00 0.00 44.72 43.69 1fr6 s GLY 323 CO 0.00 -0.10 -0.07 -0.56 0.00 0.00 0.00 173.10 172.37 1fr6 s SER 324 N 0.63 0.78 -0.21 1.64 0.01 -0.20 -1.02 113.70 115.33 1fr6 s SER 324 Ca -0.10 -0.56 -0.17 0.00 1.31 0.00 0.00 55.95 56.44 1fr6 s SER 324 Cb -0.16 0.05 0.06 0.00 0.21 0.00 0.00 66.02 66.18 1fr6 s SER 324 CO 0.03 -0.23 0.55 -0.47 0.41 0.00 0.00 173.24 173.52 1fr6 s TYR 325 N -1.48 -0.68 -0.02 2.43 6.04 -0.21 -2.06 117.35 121.37 1fr6 s TYR 325 Ca -0.10 1.55 0.01 0.00 0.04 0.00 0.00 57.07 58.57 1fr6 s TYR 325 Cb -0.09 0.29 0.01 0.00 -1.04 0.00 0.00 41.96 41.12 1fr6 s TYR 325 CO -0.00 -0.34 -0.04 0.08 -1.54 0.00 0.00 175.55 173.71 1fr6 s VAL 326 N 0.73 0.41 0.01 3.14 1.01 -0.83 -1.07 120.40 123.80 1fr6 s VAL 326 Ca -0.04 -0.14 -0.12 0.00 0.00 0.00 0.00 61.98 61.68 1fr6 s VAL 326 Cb -0.05 -0.40 0.01 0.00 0.00 0.00 0.00 36.38 35.94 1fr6 s VAL 326 CO -0.05 0.16 0.25 0.00 0.00 0.00 0.00 175.10 175.46 1fr6 s ALA 327 N 0.39 -0.60 -0.21 5.51 0.00 -0.75 -1.41 121.76 124.69 1fr6 s ALA 327 Ca -0.04 0.05 -0.27 0.00 0.00 0.00 0.00 51.96 51.70 1fr6 s ALA 327 Cb -0.08 0.18 0.10 0.00 0.00 0.00 0.00 23.12 23.31 1fr6 s ALA 327 CO -0.00 -0.30 0.87 -0.59 0.00 0.00 0.00 175.76 175.74 1fr6 s PHE 328 N -1.85 -0.58 -0.46 0.00 -0.71 -0.45 0.31 117.98 114.24 1fr6 s PHE 328 Ca -0.10 1.27 0.02 0.00 -1.04 0.00 0.00 56.93 57.07 1fr6 s PHE 328 Cb -0.04 0.36 0.12 0.00 -1.21 0.00 0.00 43.02 42.26 1fr6 s PHE 328 CO 0.01 -0.36 0.21 0.08 -1.34 0.00 0.00 175.22 173.82 1fr6 s VAL 329 N -0.25 2.79 0.23 -2.49 1.01 -0.23 -1.38 120.40 120.09 1fr6 s VAL 329 Ca -0.01 -2.74 -0.14 0.00 0.00 0.00 0.00 61.98 59.08 1fr6 s VAL 329 Cb -0.03 -2.94 0.27 0.00 0.00 0.00 0.00 36.38 33.67 1fr6 s VAL 329 CO 0.00 -0.73 1.59 -0.65 0.00 0.00 0.00 175.10 175.31 1fr6 h PRO 330 N 7.20 -0.04 -0.61 2.72 0.11 -1.74 0.52 132.00 140.16 1fr6 h PRO 330 Ca -0.06 0.00 0.02 0.00 0.11 0.00 0.00 66.00 66.07 1fr6 h PRO 330 Cb 0.97 0.01 -0.03 0.00 0.11 0.00 0.00 31.00 32.06 1fr6 h PRO 330 CO 0.64 -0.03 0.41 1.49 -0.21 0.00 0.00 178.00 180.30 1fr6 h GLU 331 N -0.04 0.76 -0.01 1.05 4.81 -1.01 -2.65 114.58 117.49 1fr6 h GLU 331 Ca 0.34 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.52 1fr6 h GLU 331 Cb 0.57 -0.17 0.00 0.00 0.63 0.00 0.00 28.75 29.78 1fr6 h GLU 331 CO -0.80 0.50 -0.62 1.63 -0.73 0.00 0.00 179.01 179.00 1fr6 n LYS 332 N -4.45 0.68 -2.78 1.92 4.76 -0.01 -4.99 118.16 113.29 1fr6 n LYS 332 Ca 0.07 -0.53 -0.22 0.00 -2.87 0.00 0.00 58.31 54.75 1fr6 n LYS 332 Cb 0.08 -1.49 0.02 0.00 -1.84 0.00 0.00 35.03 31.80 1fr6 n LYS 332 CO 0.00 0.00 0.00 -1.71 -1.37 0.00 0.00 177.40 174.32 1fr6 n ASN 333 N -0.70 -6.08 -4.60 4.39 5.15 0.16 -4.52 115.26 109.07 1fr6 n ASN 333 Ca 0.08 -0.18 -0.30 0.00 -0.60 0.00 0.00 54.58 53.57 1fr6 n ASN 333 Cb 0.40 -4.97 -0.10 0.00 -0.53 0.00 0.00 39.78 34.58 1fr6 n ASN 333 CO 0.00 0.00 0.00 -0.22 1.40 0.00 0.00 177.26 178.44 1fr6 s LEU 334 N -6.45 3.14 0.25 1.20 2.96 -1.20 -1.66 118.68 116.93 1fr6 s LEU 334 Ca 0.19 -0.29 -0.22 0.00 -0.22 0.00 0.00 54.13 53.59 1fr6 s LEU 334 Cb -0.08 -1.90 0.04 0.00 0.50 0.00 0.00 46.19 44.74 1fr6 s LEU 334 CO 0.23 0.20 0.80 -0.83 -1.32 0.00 0.00 176.35 175.43 1fr6 s GLY 335 N -2.04 -0.08 -0.21 7.98 0.00 -0.73 -1.06 107.32 111.18 1fr6 s GLY 335 Ca 0.21 -0.24 -0.17 0.00 0.00 0.00 0.00 44.72 44.53 1fr6 s GLY 335 CO 0.13 -0.01 0.54 -1.50 0.00 0.00 0.00 173.10 172.27 1fr6 s ILE 336 N -3.54 -0.01 -0.16 0.90 2.07 0.15 -2.21 121.20 118.40 1fr6 s ILE 336 Ca 0.12 0.02 0.01 0.00 -1.41 0.00 0.00 60.65 59.39 1fr6 s ILE 336 Cb -0.05 -0.77 0.02 0.00 0.13 0.00 0.00 42.46 41.80 1fr6 s ILE 336 CO 0.06 0.01 -0.15 -0.69 -1.91 0.00 0.00 174.94 172.26 1fr6 s VAL 337 N 0.74 1.70 -0.24 4.00 1.01 0.85 -1.81 120.40 126.65 1fr6 s VAL 337 Ca -0.04 -0.75 0.02 0.00 0.00 0.00 0.00 61.98 61.22 1fr6 s VAL 337 Cb -0.05 -1.60 0.05 0.00 0.00 0.00 0.00 36.38 34.79 1fr6 s VAL 337 CO -0.05 0.45 -0.12 -0.04 0.00 0.00 0.00 175.10 175.34 1fr6 s MET 338 N 1.43 2.26 -0.17 2.72 -1.94 -0.23 0.51 119.30 123.87 1fr6 s MET 338 Ca 0.04 -1.16 0.01 0.00 -1.71 0.00 0.00 55.69 52.87 1fr6 s MET 338 Cb -0.13 -2.74 0.02 0.00 2.01 0.00 0.00 34.83 33.99 1fr6 s MET 338 CO -0.11 -0.50 -0.17 -0.51 -0.01 0.00 0.00 175.02 173.72 1fr6 s LEU 339 N 1.20 2.03 0.12 -0.03 1.43 0.27 -1.05 118.68 122.65 1fr6 s LEU 339 Ca -0.05 -0.63 0.09 0.00 -1.03 0.00 0.00 54.13 52.51 1fr6 s LEU 339 Cb -0.18 -1.37 -0.04 0.00 0.03 0.00 0.00 46.19 44.63 1fr6 s LEU 339 CO -0.07 -0.03 -0.23 0.00 0.23 0.00 0.00 176.35 176.25 1fr6 s ALA 340 N 1.36 2.01 -0.90 4.21 0.00 -0.19 -0.34 121.76 127.91 1fr6 s ALA 340 Ca 0.04 -1.34 0.00 0.00 0.00 0.00 0.00 51.96 50.66 1fr6 s ALA 340 Cb -0.13 -0.28 0.31 0.00 0.00 0.00 0.00 23.12 23.01 1fr6 s ALA 340 CO -0.12 0.41 1.35 0.27 0.00 0.00 0.00 175.76 177.67 1fr6 n ASN 341 N 0.95 5.86 -3.41 0.00 6.94 -0.98 -2.76 115.26 121.85 1fr6 n ASN 341 Ca -0.18 -3.54 0.03 0.00 -0.02 0.00 0.00 54.58 50.86 1fr6 n ASN 341 Cb 0.54 -1.01 -0.05 0.00 -2.36 0.00 0.00 39.78 36.90 1fr6 n ASN 341 CO 0.00 0.00 0.00 -0.75 -1.03 0.00 0.00 177.26 175.48 1fr6 s LYS 342 N -3.28 0.05 0.02 -3.83 2.20 0.51 -1.98 119.74 113.43 1fr6 s LYS 342 Ca 0.38 0.10 -0.30 0.00 -0.36 0.00 0.00 55.97 55.79 1fr6 s LYS 342 Cb 0.15 0.04 -0.04 0.00 -1.51 0.00 0.00 37.83 36.47 1fr6 s LYS 342 CO -0.02 -0.01 1.04 0.45 -0.36 0.00 0.00 175.35 176.45 1fr6 s SER 343 N 1.57 7.29 0.30 1.43 0.15 -1.22 -3.42 113.70 119.80 1fr6 s SER 343 Ca -0.04 1.76 0.03 0.00 0.70 0.00 0.00 55.95 58.40 1fr6 s SER 343 Cb -0.02 -2.57 -0.05 0.00 -1.71 0.00 0.00 66.02 61.68 1fr6 s SER 343 CO -0.13 -0.32 0.11 -0.72 1.20 0.00 0.00 173.24 173.39 1fr6 s TYR 344 N 1.00 1.66 0.21 3.44 -0.85 -1.26 -4.94 117.35 116.61 1fr6 s TYR 344 Ca 0.54 -1.21 -0.32 0.00 -0.52 0.00 0.00 57.07 55.55 1fr6 s TYR 344 Cb -0.23 -0.99 -0.13 0.00 0.38 0.00 0.00 41.96 40.98 1fr6 s TYR 344 CO 0.28 -0.33 1.50 -0.35 -1.52 0.00 0.00 175.55 175.14 1fr6 n PRO 345 N -0.60 2.14 0.19 -3.49 -0.04 -1.26 -4.95 135.00 127.00 1fr6 n PRO 345 Ca -0.01 0.77 -0.16 0.00 -0.04 0.00 0.00 63.50 64.06 1fr6 n PRO 345 Cb 0.66 -2.49 -0.09 0.00 -0.04 0.00 0.00 33.50 31.54 1fr6 n PRO 345 CO 0.00 0.00 0.00 -0.91 -0.04 0.00 0.00 175.50 174.55 1fr6 h ASN 346 N 5.07 -1.32 0.04 3.54 2.35 -2.00 -2.66 115.58 120.61 1fr6 h ASN 346 Ca -0.45 0.13 0.00 0.00 -0.55 0.00 0.00 56.30 55.43 1fr6 h ASN 346 Cb 1.26 0.47 0.00 0.00 0.05 0.00 0.00 38.32 40.10 1fr6 h ASN 346 CO 0.82 -0.56 0.00 -2.65 -1.65 0.00 0.00 177.43 173.39 1fr6 n PRO 347 N -5.50 0.10 0.04 0.81 -0.02 -1.26 -1.17 135.00 128.00 1fr6 n PRO 347 Ca -0.09 0.59 -0.11 0.00 -2.02 0.00 0.00 63.50 61.87 1fr6 n PRO 347 Cb 0.41 -1.83 -0.08 0.00 -0.02 0.00 0.00 33.50 31.98 1fr6 n PRO 347 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 1fr6 h VAL 348 N 0.00 0.88 -0.04 -1.45 2.07 -1.82 -1.77 116.25 114.12 1fr6 h VAL 348 Ca 0.00 -1.20 0.03 0.00 0.82 0.00 0.00 66.70 66.35 1fr6 h VAL 348 Cb 0.02 1.49 -0.04 0.00 -1.52 0.00 0.00 31.29 31.24 1fr6 h VAL 348 CO 0.00 0.23 -0.18 0.03 0.02 0.00 0.00 177.57 177.67 1fr6 h ARG 349 N -0.87 -0.27 -0.48 1.57 3.08 -1.15 0.07 114.38 116.33 1fr6 h ARG 349 Ca -0.02 0.02 -0.04 0.00 0.07 0.00 0.00 59.98 60.01 1fr6 h ARG 349 Cb 0.53 0.06 -0.02 0.00 0.08 0.00 0.00 29.97 30.62 1fr6 h ARG 349 CO 0.03 -0.18 0.14 0.28 -1.07 0.00 0.00 179.97 179.17 1fr6 h VAL 350 N -0.28 1.20 0.00 2.04 2.07 -1.25 0.30 116.25 120.34 1fr6 h VAL 350 Ca 0.07 -0.70 -0.18 0.00 0.82 0.00 0.00 66.70 66.71 1fr6 h VAL 350 Cb 0.37 0.69 -0.02 0.00 -1.52 0.00 0.00 31.29 30.81 1fr6 h VAL 350 CO -0.20 0.26 -0.85 -0.08 0.02 0.00 0.00 177.57 176.72 1fr6 h GLU 351 N 0.70 0.04 -0.12 1.57 4.81 -0.99 -2.50 114.58 118.09 1fr6 h GLU 351 Ca 0.16 -0.05 -0.10 0.00 -0.13 0.00 0.00 59.36 59.24 1fr6 h GLU 351 Cb 0.23 0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.63 1fr6 h GLU 351 CO -0.01 0.87 -0.31 0.00 -0.73 0.00 0.00 179.01 178.83 1fr6 h ALA 352 N 1.11 0.20 -0.29 2.92 0.00 -0.43 -1.29 119.26 121.47 1fr6 h ALA 352 Ca -0.02 -0.42 0.08 0.00 0.00 0.00 0.00 54.91 54.55 1fr6 h ALA 352 Cb 1.50 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 19.25 1fr6 h ALA 352 CO 0.12 0.24 0.21 0.00 0.00 0.00 0.00 179.25 179.81 1fr6 h ALA 353 N 0.51 2.26 0.19 0.00 0.00 -0.38 -2.39 119.26 119.45 1fr6 h ALA 353 Ca -0.01 -0.01 -0.29 0.00 0.00 0.00 0.00 54.91 54.60 1fr6 h ALA 353 Cb 0.92 0.02 0.02 0.00 0.00 0.00 0.00 17.79 18.75 1fr6 h ALA 353 CO 0.07 -0.34 -1.36 2.35 0.00 0.00 0.00 179.25 179.96 1fr6 h TRP 354 N 0.01 0.74 0.15 0.00 2.91 -1.20 -3.13 115.95 115.44 1fr6 h TRP 354 Ca 0.14 -0.54 0.01 0.00 1.13 0.00 0.00 58.89 59.63 1fr6 h TRP 354 Cb 0.54 -0.03 -0.04 0.00 -0.51 0.00 0.00 29.16 29.12 1fr6 h TRP 354 CO -0.00 1.53 -0.49 0.00 -1.03 0.00 0.00 178.44 178.45 1fr6 h ARG 355 N -0.06 -0.70 -0.02 2.65 3.08 -0.73 0.17 114.38 118.77 1fr6 h ARG 355 Ca -0.25 0.05 0.01 0.00 0.07 0.00 0.00 59.98 59.85 1fr6 h ARG 355 Cb 1.96 0.16 -0.01 0.00 0.08 0.00 0.00 29.97 32.16 1fr6 h ARG 355 CO 0.19 -0.47 -0.10 0.82 -1.07 0.00 0.00 179.97 179.35 1fr6 h ILE 356 N -0.73 0.00 -0.64 2.04 2.04 -1.65 -2.33 117.51 116.24 1fr6 h ILE 356 Ca -0.01 0.00 0.10 0.00 1.00 0.00 0.00 64.86 65.94 1fr6 h ILE 356 Cb 0.72 0.00 -0.11 0.00 -0.74 0.00 0.00 36.82 36.68 1fr6 h ILE 356 CO -0.24 0.00 -0.42 -0.07 0.00 0.00 0.00 178.15 177.42 1fr6 h LEU 357 N -0.11 -1.47 -0.98 1.44 3.38 -1.48 0.24 115.31 116.33 1fr6 h LEU 357 Ca 0.00 0.25 0.29 0.00 0.09 0.00 0.00 57.88 58.52 1fr6 h LEU 357 Cb 0.12 0.68 -0.14 0.00 0.09 0.00 0.00 40.66 41.42 1fr6 h LEU 357 CO -0.08 -0.32 0.52 -0.08 0.09 0.00 0.00 178.44 178.58 1fr6 h GLU 358 N -0.19 0.35 0.00 1.13 4.81 -0.46 0.93 114.58 121.15 1fr6 h GLU 358 Ca 0.20 -0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 59.40 1fr6 h GLU 358 Cb 0.56 -0.08 -0.00 0.00 0.63 0.00 0.00 28.75 29.86 1fr6 h GLU 358 CO -0.73 0.23 -0.06 0.87 -0.73 0.00 0.00 179.01 178.60 1fr6 h LYS 359 N 0.36 0.00 -0.15 1.92 1.79 0.01 -3.09 116.57 117.41 1fr6 h LYS 359 Ca 0.69 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 59.16 1fr6 h LYS 359 Cb 1.49 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 32.14 1fr6 h LYS 359 CO -0.58 0.06 0.00 1.28 -1.08 0.00 0.00 179.45 179.13 1fr6 n LEU 360 N -3.19 2.71 -0.37 2.94 4.77 0.31 -5.10 117.00 119.07 1fr6 n LEU 360 Ca 0.00 -1.24 0.05 0.00 -0.03 0.00 0.00 56.01 54.79 1fr6 n LEU 360 Cb 0.34 -0.09 0.04 0.00 -2.33 0.00 0.00 43.42 41.38 1fr6 n LEU 360 CO 0.29 0.54 0.40 0.00 -1.33 0.00 0.00 177.39 177.28