#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2fr6 s GLU 11 N 0.00 2.38 0.77 7.34 0.41 -1.26 -5.10 118.70 123.24 2fr6 s GLU 11 Ca 0.00 -1.40 -0.15 0.00 -0.41 0.00 0.00 54.97 53.02 2fr6 s GLU 11 Cb 0.00 -2.21 0.04 0.00 -1.78 0.00 0.00 34.13 30.18 2fr6 s GLU 11 CO 0.00 0.32 1.07 -2.30 -0.49 0.00 0.00 175.26 173.87 2fr6 n PRO 12 N -0.98 0.36 -0.14 0.39 -0.02 -1.26 -4.70 135.00 128.66 2fr6 n PRO 12 Ca -0.06 0.19 -0.04 0.00 -2.02 0.00 0.00 63.50 61.57 2fr6 n PRO 12 Cb 0.59 -2.33 0.02 0.00 -0.02 0.00 0.00 33.50 31.77 2fr6 n PRO 12 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 2fr6 h GLU 13 N -0.56 -0.06 -0.00 -0.52 4.81 -2.00 -0.74 114.58 115.51 2fr6 h GLU 13 Ca -0.47 0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 58.74 2fr6 h GLU 13 Cb 1.32 0.01 -0.00 0.00 0.63 0.00 0.00 28.75 30.71 2fr6 h GLU 13 CO 0.46 -0.04 -0.10 1.12 -0.73 0.00 0.00 179.01 179.73 2fr6 h HIS 14 N -0.06 0.00 -0.28 0.92 2.07 -2.00 -1.69 115.15 114.12 2fr6 h HIS 14 Ca 0.22 -0.00 -0.17 0.00 -2.85 0.00 0.00 60.37 57.57 2fr6 h HIS 14 Cb 0.40 -0.00 -0.00 0.00 2.57 0.00 0.00 27.41 30.38 2fr6 h HIS 14 CO -0.44 0.10 -0.50 0.28 -3.07 0.00 0.00 177.93 174.30 2fr6 h VAL 15 N 0.00 1.29 -0.61 6.12 2.07 -1.50 -1.57 116.25 122.05 2fr6 h VAL 15 Ca -0.00 -1.70 -0.10 0.00 0.82 0.00 0.00 66.70 65.72 2fr6 h VAL 15 Cb 0.17 1.60 -0.02 0.00 -1.52 0.00 0.00 31.29 31.52 2fr6 h VAL 15 CO 0.01 0.55 -0.00 1.56 0.02 0.00 0.00 177.57 179.71 2fr6 h GLN 16 N 0.62 1.08 0.03 1.57 4.20 -0.66 -1.28 115.11 120.67 2fr6 h GLN 16 Ca 0.02 -0.35 -0.00 0.00 0.06 0.00 0.00 58.65 58.39 2fr6 h GLN 16 Cb 1.09 -0.10 0.00 0.00 0.30 0.00 0.00 27.48 28.77 2fr6 h GLN 16 CO 0.11 1.05 -0.01 0.00 -0.67 0.00 0.00 178.83 179.31 2fr6 h ARG 17 N 0.99 -0.04 0.18 1.46 3.08 -1.25 -1.40 114.38 117.40 2fr6 h ARG 17 Ca 0.17 0.00 0.01 0.00 0.07 0.00 0.00 59.98 60.24 2fr6 h ARG 17 Cb 0.57 0.01 -0.03 0.00 0.08 0.00 0.00 29.97 30.60 2fr6 h ARG 17 CO 0.03 0.13 -0.26 -0.07 -1.07 0.00 0.00 179.97 178.73 2fr6 h LEU 18 N -0.20 -0.72 -0.70 3.04 3.38 -1.19 0.11 115.31 119.04 2fr6 h LEU 18 Ca -0.00 0.08 0.08 0.00 0.09 0.00 0.00 57.88 58.13 2fr6 h LEU 18 Cb 0.18 0.26 -0.07 0.00 0.09 0.00 0.00 40.66 41.13 2fr6 h LEU 18 CO 0.01 -0.36 0.36 -0.07 0.09 0.00 0.00 178.44 178.47 2fr6 h LEU 19 N -0.50 0.49 -0.21 1.67 4.07 -1.21 0.88 115.31 120.49 2fr6 h LEU 19 Ca 0.01 0.05 -0.15 0.00 0.08 0.00 0.00 57.88 57.88 2fr6 h LEU 19 Cb 0.50 -0.03 0.00 0.00 1.08 0.00 0.00 40.66 42.21 2fr6 h LEU 19 CO -0.11 0.29 -0.44 0.25 -1.08 0.00 0.00 178.44 177.35 2fr6 h LEU 20 N 0.63 0.75 -0.72 1.67 5.85 -1.03 -2.19 115.31 120.26 2fr6 h LEU 20 Ca 0.34 -0.55 -0.06 0.00 0.84 0.00 0.00 57.88 58.44 2fr6 h LEU 20 Cb 0.32 -0.22 -0.03 0.00 0.37 0.00 0.00 40.66 41.10 2fr6 h LEU 20 CO -0.25 1.16 0.21 0.28 -0.34 0.00 0.00 178.44 179.51 2fr6 h SER 21 N 0.36 1.06 -0.63 1.25 0.02 -0.43 -0.16 113.55 115.01 2fr6 h SER 21 Ca 0.00 -0.21 -0.01 0.00 -0.84 0.00 0.00 61.79 60.73 2fr6 h SER 21 Cb 1.05 -0.28 -0.03 0.00 0.14 0.00 0.00 62.40 63.28 2fr6 h SER 21 CO 0.10 0.99 0.35 -1.28 -1.14 0.00 0.00 176.83 175.85 2fr6 h SER 22 N 1.07 0.79 -0.62 3.07 0.87 -0.82 0.23 113.55 118.13 2fr6 h SER 22 Ca 0.23 -0.10 -0.06 0.00 -1.23 0.00 0.00 61.79 60.64 2fr6 h SER 22 Cb 0.32 -0.20 -0.03 0.00 -0.44 0.00 0.00 62.40 62.05 2fr6 h SER 22 CO -0.01 0.66 0.16 -0.09 -0.53 0.00 0.00 176.83 177.02 2fr6 h ARG 23 N 0.86 1.00 -0.39 2.24 2.43 -1.03 -3.07 114.38 116.42 2fr6 h ARG 23 Ca 0.22 -0.24 -0.09 0.00 -0.81 0.00 0.00 59.98 59.06 2fr6 h ARG 23 Cb 0.04 -0.13 -0.01 0.00 -0.42 0.00 0.00 29.97 29.45 2fr6 h ARG 23 CO -0.04 0.90 -0.12 1.49 -1.51 0.00 0.00 179.97 180.69 2fr6 h GLU 24 N 0.91 0.76 -0.15 0.20 4.57 -0.54 -2.99 114.58 117.34 2fr6 h GLU 24 Ca 0.20 -0.31 0.04 0.00 -1.18 0.00 0.00 59.36 58.12 2fr6 h GLU 24 Cb 0.35 -0.04 -0.01 0.00 -0.16 0.00 0.00 28.75 28.90 2fr6 h GLU 24 CO 0.00 0.92 0.12 0.00 -1.18 0.00 0.00 179.01 178.87 2fr6 h ALA 25 N 0.82 2.01 -0.49 2.92 0.00 -0.91 -1.48 119.26 122.12 2fr6 h ALA 25 Ca 0.09 -0.01 0.14 0.00 0.00 0.00 0.00 54.91 55.14 2fr6 h ALA 25 Cb 0.65 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.43 2fr6 h ALA 25 CO 0.04 -0.20 0.36 -0.22 0.00 0.00 0.00 179.25 179.24 2fr6 h LYS 26 N 0.00 0.00 0.00 0.00 3.64 -1.43 -1.69 116.57 117.09 2fr6 h LYS 26 Ca 0.07 0.00 -0.06 0.00 -1.27 0.00 0.00 60.65 59.40 2fr6 h LYS 26 Cb 0.32 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.13 2fr6 h LYS 26 CO -0.00 0.00 -0.26 0.87 -2.27 0.00 0.00 179.45 177.78 2fr6 h LYS 27 N 0.00 0.00 -0.01 1.90 1.57 -1.43 -2.67 116.57 115.93 2fr6 h LYS 27 Ca 0.23 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.01 2fr6 h LYS 27 Cb 0.96 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.27 2fr6 h LYS 27 CO -0.00 0.26 -0.05 0.43 -0.57 0.00 0.00 179.45 179.52 2fr6 n SER 28 N -4.06 0.72 -4.63 0.86 7.64 -0.63 -4.93 113.62 108.57 2fr6 n SER 28 Ca -0.02 -1.03 -0.49 0.00 1.01 0.00 0.00 58.87 58.34 2fr6 n SER 28 Cb 0.33 -0.02 -0.05 0.00 -1.01 0.00 0.00 64.21 63.46 2fr6 n SER 28 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2fr6 n ALA 29 N -0.57 0.24 -3.53 -0.43 0.00 -1.01 -4.94 120.51 110.28 2fr6 n ALA 29 Ca 0.19 0.47 -0.41 0.00 0.00 0.00 0.00 53.44 53.69 2fr6 n ALA 29 Cb 0.26 -2.22 -0.07 0.00 0.00 0.00 0.00 19.45 17.42 2fr6 n ALA 29 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 177.50 177.03 2fr6 s TYR 30 N 0.83 3.52 -0.37 0.00 5.04 -0.76 -4.92 117.35 120.69 2fr6 s TYR 30 Ca 0.82 -2.18 0.13 0.00 -2.44 0.00 0.00 57.07 53.40 2fr6 s TYR 30 Cb -0.81 -3.51 0.38 0.00 0.35 0.00 0.00 41.96 38.36 2fr6 s TYR 30 CO 0.43 -0.94 0.81 0.00 -1.34 0.00 0.00 175.55 174.50 2fr6 h PRO 32 N 2.99 0.00 0.12 0.00 0.13 -1.95 0.12 132.00 133.41 2fr6 h PRO 32 Ca 0.06 0.00 -0.28 0.00 -0.87 0.00 0.00 66.00 64.91 2fr6 h PRO 32 Cb 1.00 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.12 2fr6 h PRO 32 CO 0.52 0.00 -1.42 1.88 -0.23 0.00 0.00 178.00 178.75 2fr6 h TYR 33 N 0.00 0.45 0.00 1.56 -1.99 -1.95 -3.39 116.97 111.65 2fr6 h TYR 33 Ca 0.00 -0.33 -0.24 0.00 2.00 0.00 0.00 58.73 60.16 2fr6 h TYR 33 Cb 0.30 -0.02 -0.04 0.00 2.00 0.00 0.00 36.73 38.96 2fr6 h TYR 33 CO 0.00 1.56 -1.91 -1.13 -0.00 0.00 0.00 178.16 176.67 2fr6 n SER 34 N -3.91 0.42 -3.02 3.88 3.41 -1.21 -4.96 113.62 108.23 2fr6 n SER 34 Ca -0.25 0.19 -0.22 0.00 -0.26 0.00 0.00 58.87 58.33 2fr6 n SER 34 Cb 0.91 0.70 0.03 0.00 -0.26 0.00 0.00 64.21 65.59 2fr6 n SER 34 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 2fr6 n ARG 35 N -2.77 -4.78 -3.79 4.33 5.12 0.41 -4.93 116.66 110.24 2fr6 n ARG 35 Ca -0.19 0.90 -0.28 0.00 -1.93 0.00 0.00 57.85 56.35 2fr6 n ARG 35 Cb 0.96 -5.76 -0.12 0.00 -1.16 0.00 0.00 32.46 26.38 2fr6 n ARG 35 CO 0.00 0.00 0.00 0.12 -1.93 0.00 0.00 177.63 175.82 2fr6 s PHE 36 N -3.17 2.81 0.31 -1.55 5.36 -1.26 -5.10 117.98 115.39 2fr6 s PHE 36 Ca 0.30 -2.99 -0.29 0.00 -0.96 0.00 0.00 56.93 53.00 2fr6 s PHE 36 Cb -0.13 -2.28 -0.10 0.00 -0.34 0.00 0.00 43.02 40.17 2fr6 s PHE 36 CO 0.37 -0.66 1.32 -1.25 -1.46 0.00 0.00 175.22 173.54 2fr6 s PRO 37 N -0.71 4.35 -0.02 10.12 0.04 -1.26 -4.98 135.00 142.55 2fr6 s PRO 37 Ca 0.24 2.21 0.01 0.00 0.04 0.00 0.00 61.00 63.50 2fr6 s PRO 37 Cb -0.10 -3.08 0.01 0.00 0.04 0.00 0.00 34.50 31.37 2fr6 s PRO 37 CO -0.12 -0.21 -0.02 0.08 0.04 0.00 0.00 177.00 176.76 2fr6 s VAL 38 N -0.94 0.27 0.18 -0.36 1.01 -1.26 -4.09 120.40 115.22 2fr6 s VAL 38 Ca 0.50 -0.06 0.10 0.00 0.00 0.00 0.00 61.98 62.52 2fr6 s VAL 38 Cb -0.40 -0.29 -0.04 0.00 0.00 0.00 0.00 36.38 35.65 2fr6 s VAL 38 CO 0.51 0.12 -0.21 -0.83 0.00 0.00 0.00 175.10 174.69 2fr6 s GLY 39 N 0.43 1.56 0.01 4.51 0.00 -0.24 -2.37 107.32 111.21 2fr6 s GLY 39 Ca -0.04 -1.57 -0.06 0.00 0.00 0.00 0.00 44.72 43.06 2fr6 s GLY 39 CO -0.01 -1.60 0.10 0.00 0.00 0.00 0.00 173.10 171.59 2fr6 s ALA 40 N -1.83 -0.19 -0.05 3.20 0.00 0.50 -0.51 121.76 122.89 2fr6 s ALA 40 Ca 0.18 -0.32 -0.01 0.00 0.00 0.00 0.00 51.96 51.82 2fr6 s ALA 40 Cb -0.07 0.15 0.03 0.00 0.00 0.00 0.00 23.12 23.23 2fr6 s ALA 40 CO 0.08 -0.23 0.02 0.00 0.00 0.00 0.00 175.76 175.63 2fr6 s ALA 41 N -1.69 0.44 -0.24 0.00 0.00 -0.51 -0.57 121.76 119.19 2fr6 s ALA 41 Ca -0.13 0.06 -0.07 0.00 0.00 0.00 0.00 51.96 51.83 2fr6 s ALA 41 Cb -0.07 -0.56 -0.03 0.00 0.00 0.00 0.00 23.12 22.47 2fr6 s ALA 41 CO -0.00 -0.33 0.05 -1.17 0.00 0.00 0.00 175.76 174.31 2fr6 s LEU 42 N 1.69 3.39 -0.24 0.00 2.96 0.34 -1.09 118.68 125.73 2fr6 s LEU 42 Ca -0.00 -0.21 -0.13 0.00 -0.22 0.00 0.00 54.13 53.57 2fr6 s LEU 42 Cb -0.13 -1.90 -0.04 0.00 0.50 0.00 0.00 46.19 44.62 2fr6 s LEU 42 CO -0.03 -0.01 0.29 -0.22 -1.32 0.00 0.00 176.35 175.05 2fr6 s LEU 43 N 1.46 4.09 0.57 -0.68 2.96 0.17 -0.58 118.68 126.67 2fr6 s LEU 43 Ca 0.06 0.25 -0.02 0.00 -0.22 0.00 0.00 54.13 54.19 2fr6 s LEU 43 Cb -0.15 -2.30 0.03 0.00 0.50 0.00 0.00 46.19 44.27 2fr6 s LEU 43 CO 0.03 -0.06 0.83 0.42 -1.32 0.00 0.00 176.35 176.25 2fr6 s THR 44 N 1.52 2.98 0.48 3.68 -4.23 -0.28 -0.05 115.64 119.74 2fr6 s THR 44 Ca 0.13 -0.43 0.13 0.00 -1.18 0.00 0.00 61.69 60.33 2fr6 s THR 44 Cb -0.15 -3.16 0.26 0.00 1.34 0.00 0.00 72.50 70.78 2fr6 s THR 44 CO 0.08 -0.14 2.10 1.23 -0.54 0.00 0.00 174.62 177.35 2fr6 h GLY 45 N -0.06 0.17 -0.76 3.99 0.00 -1.53 -1.99 103.07 102.89 2fr6 h GLY 45 Ca -0.44 -0.07 0.00 0.00 0.00 0.00 0.00 47.33 46.82 2fr6 h GLY 45 CO 0.56 0.07 0.00 2.09 0.00 0.00 0.00 176.54 179.26 2fr6 n ASP 46 N -4.49 1.50 0.00 0.19 5.75 -1.26 -4.93 116.55 113.31 2fr6 n ASP 46 Ca -0.01 -1.75 0.00 0.00 -0.01 0.00 0.00 54.79 53.01 2fr6 n ASP 46 Cb 0.10 -0.12 0.00 0.00 -1.03 0.00 0.00 41.12 40.07 2fr6 n ASP 46 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2fr6 n GLY 47 N 1.06 0.42 3.77 6.12 0.00 -0.75 -5.07 105.19 110.75 2fr6 n GLY 47 Ca 0.14 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.78 2fr6 n GLY 47 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2fr6 s ARG 48 N -0.86 4.46 -0.12 1.61 3.52 -1.26 -4.76 118.95 121.54 2fr6 s ARG 48 Ca 0.00 1.54 0.00 0.00 -0.13 0.00 0.00 55.73 57.14 2fr6 s ARG 48 Cb 0.00 -2.85 -0.02 0.00 -1.56 0.00 0.00 34.95 30.52 2fr6 s ARG 48 CO 0.00 0.12 -0.13 0.42 -0.81 0.00 0.00 175.30 174.91 2fr6 s ILE 49 N -1.47 3.09 -0.12 4.11 1.01 -1.26 -1.12 121.20 125.44 2fr6 s ILE 49 Ca 0.51 -0.66 0.02 0.00 0.00 0.00 0.00 60.65 60.52 2fr6 s ILE 49 Cb -0.24 -2.29 -0.01 0.00 0.01 0.00 0.00 42.46 39.94 2fr6 s ILE 49 CO 0.31 0.53 -0.18 -0.36 0.00 0.00 0.00 174.94 175.24 2fr6 s PHE 50 N 0.16 2.71 0.30 3.97 0.40 0.25 -4.92 117.98 120.85 2fr6 s PHE 50 Ca -0.07 -0.90 0.07 0.00 -0.60 0.00 0.00 56.93 55.44 2fr6 s PHE 50 Cb -0.15 -1.80 -0.03 0.00 0.51 0.00 0.00 43.02 41.55 2fr6 s PHE 50 CO 0.05 -0.35 0.26 -1.54 0.70 0.00 0.00 175.22 174.33 2fr6 s SER 51 N 0.45 5.41 0.20 1.36 1.04 -1.26 0.13 113.70 121.02 2fr6 s SER 51 Ca -0.13 -0.38 -0.19 0.00 0.48 0.00 0.00 55.95 55.73 2fr6 s SER 51 Cb -0.17 -1.17 0.03 0.00 0.10 0.00 0.00 66.02 64.82 2fr6 s SER 51 CO 0.06 -0.22 0.56 -0.83 0.98 0.00 0.00 173.24 173.78 2fr6 s GLY 52 N -3.93 -0.18 0.08 7.32 0.00 0.26 -4.24 107.32 106.63 2fr6 s GLY 52 Ca 0.37 -0.11 -0.08 0.00 0.00 0.00 0.00 44.72 44.91 2fr6 s GLY 52 CO 0.26 -0.17 0.16 0.00 0.00 0.00 0.00 173.10 173.34 2fr6 s ASN 54 N -2.80 6.75 -0.28 0.00 4.22 -1.00 -3.83 114.94 118.00 2fr6 s ASN 54 Ca 0.04 2.25 -0.01 0.00 -2.14 0.00 0.00 52.86 53.00 2fr6 s ASN 54 Cb 0.05 -2.61 0.09 0.00 1.28 0.00 0.00 41.25 40.06 2fr6 s ASN 54 CO -0.10 -0.51 0.08 -0.63 -2.04 0.00 0.00 177.10 173.90 2fr6 s ILE 55 N -1.42 0.74 0.82 0.54 1.01 -0.21 -1.84 121.20 120.84 2fr6 s ILE 55 Ca 0.54 -1.14 -0.11 0.00 0.00 0.00 0.00 60.65 59.95 2fr6 s ILE 55 Cb -0.29 -1.47 0.11 0.00 0.01 0.00 0.00 42.46 40.83 2fr6 s ILE 55 CO 0.36 -0.55 1.16 -1.61 0.00 0.00 0.00 174.94 174.31 2fr6 s GLU 56 N 1.71 1.67 0.01 2.79 2.02 0.10 -0.97 118.70 126.02 2fr6 s GLU 56 Ca 0.06 -0.20 -0.02 0.00 0.02 0.00 0.00 54.97 54.84 2fr6 s GLU 56 Cb -0.17 -2.01 -0.01 0.00 0.10 0.00 0.00 34.13 32.04 2fr6 s GLU 56 CO -0.21 -1.70 0.02 1.21 0.02 0.00 0.00 175.26 174.60 2fr6 s ASN 57 N -4.65 0.15 0.36 -0.19 3.84 -1.26 -4.79 114.94 108.40 2fr6 s ASN 57 Ca 0.65 -0.37 0.12 0.00 0.21 0.00 0.00 52.86 53.47 2fr6 s ASN 57 Cb -0.09 0.13 0.91 0.00 -0.55 0.00 0.00 41.25 41.66 2fr6 s ASN 57 CO 0.49 -0.30 1.81 0.00 -2.79 0.00 0.00 177.10 176.31 2fr6 h ALA 58 N 4.66 1.95 -1.87 1.71 0.00 -1.99 -2.82 119.26 120.89 2fr6 h ALA 58 Ca -0.31 0.05 -0.69 0.00 0.00 0.00 0.00 54.91 53.97 2fr6 h ALA 58 Cb 1.21 -0.05 -0.18 0.00 0.00 0.00 0.00 17.79 18.76 2fr6 h ALA 58 CO 0.41 -0.29 0.28 0.00 0.00 0.00 0.00 179.25 179.66 2fr6 n TYR 60 N 6.62 0.56 0.33 0.00 0.53 -1.07 -0.87 117.16 123.26 2fr6 n TYR 60 Ca -0.04 1.04 0.21 0.00 -1.02 0.00 0.00 57.90 58.09 2fr6 n TYR 60 Cb 0.44 -1.16 1.15 0.00 -1.03 0.00 0.00 39.34 38.74 2fr6 n TYR 60 CO 0.00 0.00 0.00 -1.35 -1.02 0.00 0.00 176.86 174.49 2fr6 h PRO 61 N 0.00 0.00 -0.11 -0.72 0.11 -1.92 -2.36 132.00 126.99 2fr6 h PRO 61 Ca 0.53 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.64 2fr6 h PRO 61 Cb 1.11 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.22 2fr6 h PRO 61 CO -0.81 0.00 0.00 1.28 -0.21 0.00 0.00 178.00 178.26 2fr6 n LEU 62 N -3.12 1.27 -4.85 2.35 7.99 -0.05 -4.90 117.00 115.69 2fr6 n LEU 62 Ca -0.03 -0.52 -0.29 0.00 -0.01 0.00 0.00 56.01 55.16 2fr6 n LEU 62 Cb 0.12 -0.07 0.14 0.00 -0.11 0.00 0.00 43.42 43.49 2fr6 n LEU 62 CO 0.20 0.26 0.78 -0.83 -1.51 0.00 0.00 177.39 176.28 2fr6 s GLY 63 N -1.63 1.63 0.03 -0.72 0.00 -0.89 -4.68 107.32 101.06 2fr6 s GLY 63 Ca 0.32 -0.77 0.02 0.00 0.00 0.00 0.00 44.72 44.29 2fr6 s GLY 63 CO 0.26 -0.16 -0.07 0.54 0.00 0.00 0.00 173.10 173.68 2fr6 s VAL 64 N -3.52 0.46 0.48 1.40 0.11 -0.15 -4.97 120.40 114.22 2fr6 s VAL 64 Ca 0.66 -0.86 -0.11 0.00 -2.93 0.00 0.00 61.98 58.74 2fr6 s VAL 64 Cb -0.10 -0.50 -0.06 0.00 -1.53 0.00 0.00 36.38 34.18 2fr6 s VAL 64 CO 0.52 -0.28 0.87 0.00 -3.33 0.00 0.00 175.10 172.88 2fr6 h ALA 66 N 0.73 1.03 -0.87 0.00 0.00 -1.83 -1.34 119.26 116.97 2fr6 h ALA 66 Ca -0.46 -0.00 0.03 0.00 0.00 0.00 0.00 54.91 54.47 2fr6 h ALA 66 Cb 1.19 -0.20 -0.05 0.00 0.00 0.00 0.00 17.79 18.73 2fr6 h ALA 66 CO 0.63 0.19 0.56 0.93 0.00 0.00 0.00 179.25 181.56 2fr6 h GLU 67 N 0.86 1.07 0.02 0.00 3.07 -1.89 -0.96 114.58 116.73 2fr6 h GLU 67 Ca 0.33 -0.06 -0.21 0.00 -0.50 0.00 0.00 59.36 58.92 2fr6 h GLU 67 Cb 0.14 -0.24 -0.01 0.00 -0.84 0.00 0.00 28.75 27.80 2fr6 h GLU 67 CO -0.16 0.70 -0.93 0.00 -1.40 0.00 0.00 179.01 177.22 2fr6 h ARG 68 N 1.10 0.21 -0.55 2.33 3.08 -1.84 -1.68 114.38 117.02 2fr6 h ARG 68 Ca 0.35 -0.25 0.01 0.00 0.07 0.00 0.00 59.98 60.16 2fr6 h ARG 68 Cb -0.00 0.08 -0.03 0.00 0.08 0.00 0.00 29.97 30.09 2fr6 h ARG 68 CO -0.11 1.00 0.35 1.15 -1.07 0.00 0.00 179.97 181.29 2fr6 h THR 69 N 0.11 1.10 -0.28 2.04 2.02 -0.79 0.23 112.91 117.35 2fr6 h THR 69 Ca -0.06 -0.24 -0.07 0.00 0.77 0.00 0.00 66.41 66.81 2fr6 h THR 69 Cb 1.59 0.34 -0.01 0.00 -1.74 0.00 0.00 68.15 68.32 2fr6 h THR 69 CO 0.14 0.13 -0.10 0.00 0.37 0.00 0.00 175.52 176.06 2fr6 h ALA 70 N 1.22 0.38 -0.60 6.16 0.00 -1.15 -2.24 119.26 123.04 2fr6 h ALA 70 Ca 0.21 -0.30 -0.06 0.00 0.00 0.00 0.00 54.91 54.76 2fr6 h ALA 70 Cb -0.04 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.63 2fr6 h ALA 70 CO -0.07 0.24 0.16 0.82 0.00 0.00 0.00 179.25 180.40 2fr6 h ILE 71 N 0.30 1.25 -0.43 0.00 2.04 -0.99 -2.16 117.51 117.53 2fr6 h ILE 71 Ca 0.07 -0.88 -0.08 0.00 1.00 0.00 0.00 64.86 64.96 2fr6 h ILE 71 Cb 0.60 0.68 -0.02 0.00 -0.74 0.00 0.00 36.82 37.35 2fr6 h ILE 71 CO 0.03 0.33 -0.07 1.56 0.00 0.00 0.00 178.15 180.00 2fr6 h GLN 72 N 0.86 0.74 -0.31 2.37 4.20 -0.55 -1.84 115.11 120.58 2fr6 h GLN 72 Ca 0.19 -0.22 -0.02 0.00 0.06 0.00 0.00 58.65 58.66 2fr6 h GLN 72 Cb 0.33 -0.07 -0.01 0.00 0.30 0.00 0.00 27.48 28.03 2fr6 h GLN 72 CO -0.00 0.80 0.12 -0.22 -0.67 0.00 0.00 178.83 178.86 2fr6 h LYS 73 N 0.68 0.47 0.07 1.46 3.64 -1.18 -1.17 116.57 120.54 2fr6 h LYS 73 Ca 0.12 -0.09 0.00 0.00 -1.27 0.00 0.00 60.65 59.42 2fr6 h LYS 73 Cb 0.52 -0.07 -0.00 0.00 -0.41 0.00 0.00 32.23 32.26 2fr6 h LYS 73 CO 0.03 0.49 -0.06 0.00 -2.27 0.00 0.00 179.45 177.64 2fr6 h ALA 74 N 0.96 -0.12 -0.83 5.00 0.00 -1.11 -2.93 119.26 120.23 2fr6 h ALA 74 Ca 0.10 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.97 2fr6 h ALA 74 Cb 0.20 0.08 -0.04 0.00 0.00 0.00 0.00 17.79 18.03 2fr6 h ALA 74 CO -0.01 -0.57 0.43 0.82 0.00 0.00 0.00 179.25 179.92 2fr6 h ILE 75 N -0.14 1.25 0.00 0.00 2.04 -1.23 -0.74 117.51 118.69 2fr6 h ILE 75 Ca 0.00 -0.65 -0.00 0.00 1.00 0.00 0.00 64.86 65.21 2fr6 h ILE 75 Cb 0.13 0.16 -0.00 0.00 -0.74 0.00 0.00 36.82 36.37 2fr6 h ILE 75 CO -0.01 0.28 -0.00 0.77 0.00 0.00 0.00 178.15 179.19 2fr6 h SER 76 N 1.16 0.00 -0.49 1.72 4.64 -1.04 -1.04 113.55 118.49 2fr6 h SER 76 Ca 0.29 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.61 2fr6 h SER 76 Cb 0.06 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.15 2fr6 h SER 76 CO -0.04 0.00 0.00 -0.62 -0.87 0.00 0.00 176.83 175.30 2fr6 n GLU 77 N -3.13 2.96 -0.38 4.77 1.02 -0.77 -4.97 120.64 120.14 2fr6 n GLU 77 Ca -0.03 -2.41 0.00 0.00 -0.02 0.00 0.00 57.16 54.70 2fr6 n GLU 77 Cb 0.10 -1.49 0.00 0.00 -0.02 0.00 0.00 31.44 30.03 2fr6 n GLU 77 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2fr6 n GLY 78 N 0.85 0.79 3.36 0.62 0.00 -0.39 -5.07 105.19 105.35 2fr6 n GLY 78 Ca 0.18 -0.15 -0.36 0.00 0.00 0.00 0.00 46.02 45.69 2fr6 n GLY 78 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2fr6 s TYR 79 N -2.00 3.05 0.00 1.61 1.51 -0.36 -4.91 117.35 116.25 2fr6 s TYR 79 Ca 0.00 -0.79 0.00 0.00 -1.01 0.00 0.00 57.07 55.27 2fr6 s TYR 79 Cb 0.00 -2.18 0.00 0.00 -0.11 0.00 0.00 41.96 39.67 2fr6 s TYR 79 CO 0.00 -0.50 0.06 1.63 -1.11 0.00 0.00 175.55 175.63 2fr6 n LYS 80 N 4.85 4.88 -2.97 -0.62 5.02 -1.26 -2.98 118.16 125.08 2fr6 n LYS 80 Ca -0.17 -0.06 -0.44 0.00 -2.02 0.00 0.00 58.31 55.63 2fr6 n LYS 80 Cb 0.50 -0.48 -0.04 0.00 -0.02 0.00 0.00 35.03 34.99 2fr6 n LYS 80 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 2fr6 s ASP 81 N -0.71 6.18 -0.13 4.39 3.68 -1.26 -4.97 116.67 123.85 2fr6 s ASP 81 Ca 0.00 -1.18 -0.04 0.00 2.13 0.00 0.00 52.55 53.46 2fr6 s ASP 81 Cb 0.00 -2.37 -0.03 0.00 -1.45 0.00 0.00 42.92 39.07 2fr6 s ASP 81 CO 0.00 -1.29 0.02 -0.36 0.13 0.00 0.00 175.17 173.67 2fr6 s PHE 82 N 3.45 3.21 -0.25 -5.34 0.08 -1.26 -1.36 117.98 116.51 2fr6 s PHE 82 Ca 0.17 0.11 0.01 0.00 0.12 0.00 0.00 56.93 57.35 2fr6 s PHE 82 Cb -0.20 -1.91 -0.16 0.00 -0.57 0.00 0.00 43.02 40.18 2fr6 s PHE 82 CO 0.09 0.33 -0.23 -2.13 -0.10 0.00 0.00 175.22 173.17 2fr6 n ARG 83 N 2.73 0.62 -3.52 0.44 0.63 0.93 -4.80 116.66 113.68 2fr6 n ARG 83 Ca -0.18 0.15 -0.08 0.00 -0.92 0.00 0.00 57.85 56.82 2fr6 n ARG 83 Cb 0.53 -1.50 -0.02 0.00 0.45 0.00 0.00 32.46 31.92 2fr6 n ARG 83 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 2fr6 s ALA 84 N -2.50 -1.76 -0.07 5.13 0.00 -1.02 -2.32 121.76 119.23 2fr6 s ALA 84 Ca -0.34 0.82 -0.05 0.00 0.00 0.00 0.00 51.96 52.38 2fr6 s ALA 84 Cb 0.09 0.52 0.02 0.00 0.00 0.00 0.00 23.12 23.75 2fr6 s ALA 84 CO 0.57 -0.74 0.17 -1.50 0.00 0.00 0.00 175.76 174.26 2fr6 s ILE 85 N -3.25 -0.01 0.06 0.00 2.07 -0.48 0.42 121.20 120.01 2fr6 s ILE 85 Ca 0.05 0.04 0.08 0.00 -1.41 0.00 0.00 60.65 59.41 2fr6 s ILE 85 Cb -0.01 -0.25 -0.03 0.00 0.13 0.00 0.00 42.46 42.30 2fr6 s ILE 85 CO -0.08 0.02 -0.20 0.00 -1.91 0.00 0.00 174.94 172.77 2fr6 s ALA 86 N 0.34 2.55 -0.05 1.50 0.00 -0.25 0.05 121.76 125.90 2fr6 s ALA 86 Ca -0.02 -1.25 0.05 0.00 0.00 0.00 0.00 51.96 50.74 2fr6 s ALA 86 Cb -0.03 -0.66 -0.01 0.00 0.00 0.00 0.00 23.12 22.42 2fr6 s ALA 86 CO -0.01 0.57 -0.21 0.42 0.00 0.00 0.00 175.76 176.53 2fr6 s ILE 87 N -0.96 1.72 0.07 0.00 1.01 -0.43 -1.42 121.20 121.19 2fr6 s ILE 87 Ca 0.15 -0.89 0.06 0.00 0.00 0.00 0.00 60.65 59.97 2fr6 s ILE 87 Cb -0.10 -1.46 -0.03 0.00 0.01 0.00 0.00 42.46 40.88 2fr6 s ILE 87 CO 0.06 0.49 -0.17 -0.44 0.00 0.00 0.00 174.94 174.87 2fr6 s SER 88 N -0.12 2.07 0.34 3.58 0.01 0.34 -2.89 113.70 117.03 2fr6 s SER 88 Ca -0.02 -0.58 -0.06 0.00 1.31 0.00 0.00 55.95 56.60 2fr6 s SER 88 Cb -0.12 -0.12 0.02 0.00 0.21 0.00 0.00 66.02 66.01 2fr6 s SER 88 CO 0.02 0.03 0.54 -1.54 0.41 0.00 0.00 173.24 172.71 2fr6 n SER 89 N 1.48 -1.54 -0.70 2.44 3.41 -1.26 -1.08 113.62 116.36 2fr6 n SER 89 Ca -0.19 -2.66 0.13 0.00 -0.26 0.00 0.00 58.87 55.89 2fr6 n SER 89 Cb 0.54 2.74 0.34 0.00 -0.26 0.00 0.00 64.21 67.57 2fr6 n SER 89 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 2fr6 n ASP 90 N -1.60 2.18 -4.57 4.04 8.00 -1.26 -4.38 116.55 118.97 2fr6 n ASP 90 Ca -0.02 -1.73 -0.40 0.00 0.71 0.00 0.00 54.79 53.35 2fr6 n ASP 90 Cb 0.54 -0.02 -0.03 0.00 -0.02 0.00 0.00 41.12 41.60 2fr6 n ASP 90 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 2fr6 s LEU 91 N -1.95 3.40 0.06 0.64 2.96 -1.26 -4.86 118.68 117.67 2fr6 s LEU 91 Ca 0.34 1.05 -0.21 0.00 -0.22 0.00 0.00 54.13 55.09 2fr6 s LEU 91 Cb 0.20 -2.93 -0.12 0.00 0.50 0.00 0.00 46.19 43.85 2fr6 s LEU 91 CO 0.32 -2.29 1.48 -0.61 -1.32 0.00 0.00 176.35 173.92 2fr6 h GLN 92 N 15.82 0.30 -2.34 1.98 5.75 -1.98 -3.38 115.11 131.27 2fr6 h GLN 92 Ca -0.30 -0.10 -0.64 0.00 -0.15 0.00 0.00 58.65 57.46 2fr6 h GLN 92 Cb 1.21 -0.02 -0.39 0.00 1.07 0.00 0.00 27.48 29.34 2fr6 h GLN 92 CO 1.11 0.53 -0.31 0.39 -2.65 0.00 0.00 178.83 177.90 2fr6 n GLU 93 N -4.72 2.93 0.00 1.69 1.02 -1.26 -4.62 120.64 115.68 2fr6 n GLU 93 Ca -0.05 -4.65 0.00 0.00 -0.02 0.00 0.00 57.16 52.43 2fr6 n GLU 93 Cb 0.23 -2.31 0.00 0.00 -0.02 0.00 0.00 31.44 29.34 2fr6 n GLU 93 CO 0.00 0.00 0.00 -1.91 1.18 0.00 0.00 177.13 176.40 2fr6 n GLU 94 N 0.94 0.00 -2.20 3.49 4.07 -1.26 -5.13 120.64 120.55 2fr6 n GLU 94 Ca 0.29 0.00 -0.42 0.00 -0.06 0.00 0.00 57.16 56.97 2fr6 n GLU 94 Cb 0.39 0.00 -0.03 0.00 -0.06 0.00 0.00 31.44 31.74 2fr6 n GLU 94 CO 0.00 0.00 0.00 -0.06 -0.06 0.00 0.00 177.13 177.01 2fr6 s PHE 95 N 0.00 3.26 -0.14 4.31 0.40 -1.26 -4.74 117.98 119.81 2fr6 s PHE 95 Ca 0.00 1.06 -0.29 0.00 -0.60 0.00 0.00 56.93 57.09 2fr6 s PHE 95 Cb 0.00 -3.65 -0.03 0.00 0.51 0.00 0.00 43.02 39.86 2fr6 s PHE 95 CO 0.00 -2.17 1.39 -1.50 0.70 0.00 0.00 175.22 173.64 2fr6 s ILE 96 N 0.78 4.05 0.03 0.64 1.10 -0.55 -4.89 121.20 122.36 2fr6 s ILE 96 Ca 0.62 1.26 0.02 0.00 -0.51 0.00 0.00 60.65 62.04 2fr6 s ILE 96 Cb -0.36 -3.83 -0.04 0.00 0.15 0.00 0.00 42.46 38.38 2fr6 s ILE 96 CO 0.33 -0.12 0.03 -0.55 -2.11 0.00 0.00 174.94 172.52 2fr6 s SER 97 N 2.47 5.30 0.30 4.50 0.15 -1.26 -4.11 113.70 121.05 2fr6 s SER 97 Ca 0.61 -0.01 -0.29 0.00 0.70 0.00 0.00 55.95 56.96 2fr6 s SER 97 Cb -0.25 -1.40 -0.10 0.00 -1.71 0.00 0.00 66.02 62.56 2fr6 s SER 97 CO 0.20 0.23 1.15 -2.16 1.20 0.00 0.00 173.24 173.86 2fr6 s PRO 98 N -1.92 4.52 1.06 5.44 0.04 -1.26 -5.02 135.00 137.87 2fr6 s PRO 98 Ca 0.24 1.90 -0.13 0.00 0.04 0.00 0.00 61.00 63.05 2fr6 s PRO 98 Cb -0.12 -3.11 0.23 0.00 0.04 0.00 0.00 34.50 31.54 2fr6 s PRO 98 CO 0.15 0.07 1.07 0.00 0.04 0.00 0.00 177.00 178.33 2fr6 h GLY 100 N -2.17 0.67 1.00 0.00 0.00 -1.98 -2.53 103.07 98.07 2fr6 h GLY 100 Ca -0.57 -0.44 -0.03 0.00 0.00 0.00 0.00 47.33 46.29 2fr6 h GLY 100 CO 0.56 0.41 0.31 0.00 0.00 0.00 0.00 176.54 177.81 2fr6 h ALA 101 N 1.37 0.85 -0.44 3.60 0.00 -2.00 -2.18 119.26 120.46 2fr6 h ALA 101 Ca 0.11 -0.15 -0.10 0.00 0.00 0.00 0.00 54.91 54.78 2fr6 h ALA 101 Cb 0.44 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.96 2fr6 h ALA 101 CO 0.02 0.43 -0.13 0.00 0.00 0.00 0.00 179.25 179.57 2fr6 h ARG 103 N 0.73 0.61 -0.23 0.00 3.08 -1.17 -0.94 114.38 116.46 2fr6 h ARG 103 Ca 0.12 -0.10 -0.14 0.00 0.07 0.00 0.00 59.98 59.93 2fr6 h ARG 103 Cb 0.62 -0.11 -0.01 0.00 0.08 0.00 0.00 29.97 30.56 2fr6 h ARG 103 CO 0.04 0.54 -0.45 0.37 -1.07 0.00 0.00 179.97 179.40 2fr6 h GLN 104 N 0.60 0.59 -0.37 0.04 5.75 -1.00 -1.11 115.11 119.61 2fr6 h GLN 104 Ca 0.14 -0.32 -0.12 0.00 -0.15 0.00 0.00 58.65 58.19 2fr6 h GLN 104 Cb 0.20 0.02 -0.01 0.00 1.07 0.00 0.00 27.48 28.76 2fr6 h GLN 104 CO -0.01 0.92 -0.25 0.28 -2.65 0.00 0.00 178.83 177.12 2fr6 h VAL 105 N 0.47 1.28 -0.35 2.39 2.07 -0.99 -2.63 116.25 118.50 2fr6 h VAL 105 Ca 0.03 -1.41 0.00 0.00 0.82 0.00 0.00 66.70 66.15 2fr6 h VAL 105 Cb 0.98 1.38 -0.02 0.00 -1.52 0.00 0.00 31.29 32.11 2fr6 h VAL 105 CO 0.09 0.47 0.23 0.24 0.02 0.00 0.00 177.57 178.61 2fr6 h MET 106 N 0.62 0.46 -0.08 1.57 2.86 -1.04 -2.41 114.93 116.92 2fr6 h MET 106 Ca 0.07 -0.03 0.02 0.00 -2.06 0.00 0.00 59.70 57.70 2fr6 h MET 106 Cb 0.82 -0.10 -0.00 0.00 0.06 0.00 0.00 31.60 32.38 2fr6 h MET 106 CO 0.07 0.31 0.07 -0.09 1.06 0.00 0.00 176.91 178.33 2fr6 h ARG 107 N 0.47 0.00 -0.03 1.72 1.12 -1.07 -0.25 114.38 116.34 2fr6 h ARG 107 Ca 0.13 0.00 0.01 0.00 -1.11 0.00 0.00 59.98 59.00 2fr6 h ARG 107 Cb -0.05 0.00 -0.00 0.00 -0.01 0.00 0.00 29.97 29.91 2fr6 h ARG 107 CO -0.03 0.00 0.03 1.49 -3.11 0.00 0.00 179.97 178.35 2fr6 h GLU 108 N 0.00 0.00 -0.24 0.20 4.57 -1.05 -2.02 114.58 116.04 2fr6 h GLU 108 Ca 0.04 0.00 -0.10 0.00 -1.18 0.00 0.00 59.36 58.12 2fr6 h GLU 108 Cb 0.17 0.00 -0.06 0.00 -0.16 0.00 0.00 28.75 28.71 2fr6 h GLU 108 CO -0.00 0.00 -0.11 1.19 -1.18 0.00 0.00 179.01 178.91 2fr6 n PHE 109 N -3.88 0.78 0.00 0.92 3.01 -0.11 -4.95 117.46 113.24 2fr6 n PHE 109 Ca -0.02 -1.36 0.00 0.00 1.01 0.00 0.00 57.45 57.07 2fr6 n PHE 109 Cb 0.12 -0.38 0.00 0.00 -0.01 0.00 0.00 39.48 39.21 2fr6 n PHE 109 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2fr6 n GLY 110 N -1.03 3.70 0.00 1.37 0.00 -0.76 -4.75 105.19 103.72 2fr6 n GLY 110 Ca 0.27 -1.69 0.01 0.00 0.00 0.00 0.00 46.02 44.61 2fr6 n GLY 110 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2fr6 n THR 111 N -1.28 0.00 0.38 2.61 -2.24 -1.26 -3.87 114.28 108.62 2fr6 n THR 111 Ca 0.00 -0.27 0.05 0.00 -2.27 0.00 0.00 64.05 61.57 2fr6 n THR 111 Cb 0.00 0.75 0.20 0.00 -2.10 0.00 0.00 70.33 69.18 2fr6 n THR 111 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 2fr6 n ASP 112 N -1.30 2.80 -4.91 3.42 2.03 -1.26 -1.23 116.55 116.09 2fr6 n ASP 112 Ca 0.00 -2.22 -0.20 0.00 0.52 0.00 0.00 54.79 52.89 2fr6 n ASP 112 Cb 0.05 -0.41 -0.02 0.00 -0.72 0.00 0.00 41.12 40.02 2fr6 n ASP 112 CO 0.00 0.00 0.00 -1.66 -1.92 0.00 0.00 177.20 173.62 2fr6 s TRP 113 N -1.67 3.04 0.22 -0.67 1.48 -1.26 -4.91 118.94 115.18 2fr6 s TRP 113 Ca 0.29 -0.23 -0.16 0.00 -1.06 0.00 0.00 56.10 54.93 2fr6 s TRP 113 Cb 0.18 -1.83 -0.08 0.00 -1.16 0.00 0.00 33.47 30.58 2fr6 s TRP 113 CO 0.14 0.15 0.67 0.00 -4.06 0.00 0.00 176.95 173.85 2fr6 s ALA 114 N -2.22 3.45 -0.15 2.67 0.00 -0.98 -1.84 121.76 122.69 2fr6 s ALA 114 Ca 0.41 0.03 0.00 0.00 0.00 0.00 0.00 51.96 52.40 2fr6 s ALA 114 Cb -0.08 -2.70 0.03 0.00 0.00 0.00 0.00 23.12 20.37 2fr6 s ALA 114 CO 0.28 0.38 -0.12 0.08 0.00 0.00 0.00 175.76 176.38 2fr6 s VAL 115 N -1.63 1.46 -0.42 0.00 1.01 -0.01 -1.38 120.40 119.43 2fr6 s VAL 115 Ca 0.44 -0.61 -0.15 0.00 0.00 0.00 0.00 61.98 61.66 2fr6 s VAL 115 Cb -0.14 -1.41 0.03 0.00 0.00 0.00 0.00 36.38 34.85 2fr6 s VAL 115 CO 0.20 0.39 0.32 -0.31 0.00 0.00 0.00 175.10 175.70 2fr6 s TYR 116 N 1.53 3.24 -0.42 5.22 2.02 0.11 -2.24 117.35 126.80 2fr6 s TYR 116 Ca 0.04 -0.63 -0.18 0.00 -0.37 0.00 0.00 57.07 55.93 2fr6 s TYR 116 Cb -0.13 -2.69 0.02 0.00 -0.40 0.00 0.00 41.96 38.76 2fr6 s TYR 116 CO -0.10 -0.62 0.50 -1.64 -1.57 0.00 0.00 175.55 172.11 2fr6 s MET 117 N 1.70 3.18 0.53 -0.62 -1.94 -0.17 -1.32 119.30 120.66 2fr6 s MET 117 Ca 0.05 -0.62 0.07 0.00 -1.71 0.00 0.00 55.69 53.48 2fr6 s MET 117 Cb -0.20 -3.95 0.04 0.00 2.01 0.00 0.00 34.83 32.73 2fr6 s MET 117 CO 0.10 -0.88 0.46 0.95 -0.01 0.00 0.00 175.02 175.64 2fr6 s THR 118 N 2.34 1.90 0.16 2.05 -4.23 -1.14 -1.17 115.64 115.55 2fr6 s THR 118 Ca 0.15 -1.39 0.04 0.00 -1.18 0.00 0.00 61.69 59.31 2fr6 s THR 118 Cb -0.16 -2.29 -0.05 0.00 1.34 0.00 0.00 72.50 71.35 2fr6 s THR 118 CO 0.15 0.00 -0.07 -0.54 -0.54 0.00 0.00 174.62 173.62 2fr6 s LYS 119 N -4.32 1.10 0.48 3.99 1.02 -0.92 -1.48 119.74 119.61 2fr6 s LYS 119 Ca 0.41 -1.49 0.17 0.00 0.02 0.00 0.00 55.97 55.08 2fr6 s LYS 119 Cb -0.03 -0.57 1.17 0.00 -0.52 0.00 0.00 37.83 37.88 2fr6 s LYS 119 CO 0.25 0.02 2.03 -1.35 -0.92 0.00 0.00 175.35 175.38 2fr6 h PRO 120 N 2.73 0.21 0.00 -1.68 0.11 -1.76 -1.51 132.00 130.10 2fr6 h PRO 120 Ca -0.37 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.73 2fr6 h PRO 120 Cb 1.20 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.26 2fr6 h PRO 120 CO 0.64 0.14 0.00 -0.40 -0.21 0.00 0.00 178.00 178.17 2fr6 n ASP 121 N -4.46 0.00 0.00 -2.05 3.85 -1.26 -4.86 116.55 107.77 2fr6 n ASP 121 Ca 0.07 -0.22 0.00 0.00 -0.71 0.00 0.00 54.79 53.93 2fr6 n ASP 121 Cb 0.36 -0.17 0.00 0.00 -1.35 0.00 0.00 41.12 39.95 2fr6 n ASP 121 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 2fr6 n GLY 122 N 0.23 0.81 3.84 6.12 0.00 -0.57 -5.06 105.19 110.57 2fr6 n GLY 122 Ca 0.11 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.82 2fr6 n GLY 122 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2fr6 s THR 123 N -2.43 3.97 0.17 2.61 -4.23 -1.26 -4.85 115.64 109.62 2fr6 s THR 123 Ca 0.00 0.64 -0.24 0.00 -1.18 0.00 0.00 61.69 60.91 2fr6 s THR 123 Cb 0.00 -3.51 0.06 0.00 1.34 0.00 0.00 72.50 70.39 2fr6 s THR 123 CO 0.00 -0.84 0.84 0.72 -0.54 0.00 0.00 174.62 174.80 2fr6 s PHE 124 N -3.16 -0.22 -0.04 3.99 -0.12 -1.26 -2.16 117.98 115.01 2fr6 s PHE 124 Ca 0.58 -0.10 0.05 0.00 -0.05 0.00 0.00 56.93 57.40 2fr6 s PHE 124 Cb -0.13 0.64 -0.01 0.00 -0.63 0.00 0.00 43.02 42.90 2fr6 s PHE 124 CO 0.54 -0.92 -0.18 0.08 -0.05 0.00 0.00 175.22 174.69 2fr6 s VAL 125 N -3.51 1.46 -0.13 -2.49 1.01 -0.32 -4.97 120.40 111.46 2fr6 s VAL 125 Ca 0.10 -0.74 0.02 0.00 0.00 0.00 0.00 61.98 61.36 2fr6 s VAL 125 Cb -0.03 -1.25 0.01 0.00 0.00 0.00 0.00 36.38 35.12 2fr6 s VAL 125 CO 0.01 0.42 -0.21 0.54 0.00 0.00 0.00 175.10 175.86 2fr6 s VAL 126 N -0.05 1.94 0.15 2.92 0.11 -1.26 -1.00 120.40 123.21 2fr6 s VAL 126 Ca -0.02 -0.91 0.05 0.00 -2.93 0.00 0.00 61.98 58.17 2fr6 s VAL 126 Cb -0.11 -1.72 -0.04 0.00 -1.53 0.00 0.00 36.38 32.98 2fr6 s VAL 126 CO 0.02 0.53 -0.12 -0.13 -3.33 0.00 0.00 175.10 172.07 2fr6 s ARG 127 N 0.80 1.08 0.61 1.54 1.81 -0.95 -4.95 118.95 118.89 2fr6 s ARG 127 Ca -0.08 -1.41 -0.06 0.00 -1.72 0.00 0.00 55.73 52.45 2fr6 s ARG 127 Cb -0.16 -0.76 0.02 0.00 -0.45 0.00 0.00 34.95 33.61 2fr6 s ARG 127 CO -0.01 0.11 0.93 0.95 -0.68 0.00 0.00 175.30 176.60 2fr6 s THR 128 N -2.98 3.40 0.21 0.02 -4.23 -1.26 -0.83 115.64 109.98 2fr6 s THR 128 Ca 0.15 -0.03 -0.08 0.00 -1.18 0.00 0.00 61.69 60.55 2fr6 s THR 128 Cb 0.00 -3.37 0.16 0.00 1.34 0.00 0.00 72.50 70.63 2fr6 s THR 128 CO 0.02 -0.39 1.81 0.58 -0.54 0.00 0.00 174.62 176.10 2fr6 h VAL 129 N -0.26 1.25 -0.36 2.29 2.07 -1.33 -2.17 116.25 117.74 2fr6 h VAL 129 Ca -0.45 -0.70 0.06 0.00 0.82 0.00 0.00 66.70 66.43 2fr6 h VAL 129 Cb 1.27 0.23 -0.05 0.00 -1.52 0.00 0.00 31.29 31.22 2fr6 h VAL 129 CO 0.61 0.30 0.05 -0.61 0.02 0.00 0.00 177.57 177.94 2fr6 h GLN 130 N 1.13 0.16 -0.08 1.57 5.75 -1.46 0.23 115.11 122.42 2fr6 h GLN 130 Ca 0.28 -0.01 -0.06 0.00 -0.15 0.00 0.00 58.65 58.71 2fr6 h GLN 130 Cb 0.11 -0.04 -0.01 0.00 1.07 0.00 0.00 27.48 28.61 2fr6 h GLN 130 CO -0.04 0.11 -0.21 0.93 -2.65 0.00 0.00 178.83 176.97 2fr6 h GLU 131 N 0.17 0.13 0.00 1.69 5.08 -1.76 -2.43 114.58 117.45 2fr6 h GLU 131 Ca 0.17 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.50 2fr6 h GLU 131 Cb 0.21 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.45 2fr6 h GLU 131 CO -0.25 0.34 -0.42 1.28 -1.00 0.00 0.00 179.01 178.97 2fr6 n LEU 132 N -4.23 0.73 -3.15 1.33 4.77 -0.73 -4.39 117.00 111.33 2fr6 n LEU 132 Ca -0.01 0.34 -0.22 0.00 -0.03 0.00 0.00 56.01 56.08 2fr6 n LEU 132 Cb 0.31 -0.23 -0.06 0.00 -2.33 0.00 0.00 43.42 41.11 2fr6 n LEU 132 CO 0.38 -0.09 -0.25 -0.11 -1.33 0.00 0.00 177.39 175.98 2fr6 n LEU 133 N -2.15 -0.07 -4.77 2.23 7.94 -0.01 -5.06 117.00 115.11 2fr6 n LEU 133 Ca 0.04 -4.58 -0.35 0.00 -1.11 0.00 0.00 56.01 50.01 2fr6 n LEU 133 Cb 0.43 0.66 0.03 0.00 0.53 0.00 0.00 43.42 45.07 2fr6 n LEU 133 CO 0.34 2.07 0.78 -2.16 -1.11 0.00 0.00 177.39 177.32 2fr6 s PRO 134 N -1.06 3.03 -1.52 1.96 0.04 -0.97 -3.52 135.00 132.96 2fr6 s PRO 134 Ca 0.35 1.59 -0.07 0.00 0.04 0.00 0.00 61.00 62.91 2fr6 s PRO 134 Cb 0.18 -1.96 0.06 0.00 0.04 0.00 0.00 34.50 32.82 2fr6 s PRO 134 CO -0.12 -1.11 0.58 0.00 0.04 0.00 0.00 177.00 176.39 2fr6 n ALA 135 N -1.80 -1.70 -1.71 8.56 0.00 -1.26 -4.88 120.51 117.72 2fr6 n ALA 135 Ca 0.12 -0.14 -0.34 0.00 0.00 0.00 0.00 53.44 53.07 2fr6 n ALA 135 Cb 0.51 -2.40 0.00 0.00 0.00 0.00 0.00 19.45 17.56 2fr6 n ALA 135 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 2fr6 s SER 136 N -3.92 5.83 0.20 0.00 1.04 -1.23 -5.04 113.70 110.57 2fr6 s SER 136 Ca 0.31 1.98 -0.25 0.00 0.48 0.00 0.00 55.95 58.47 2fr6 s SER 136 Cb -0.16 -2.56 -0.08 0.00 0.10 0.00 0.00 66.02 63.31 2fr6 s SER 136 CO 0.90 -1.14 0.80 0.12 0.98 0.00 0.00 173.24 174.90 2fr6 s PHE 137 N -2.10 3.86 0.26 5.02 5.36 -1.26 -5.04 117.98 124.09 2fr6 s PHE 137 Ca 0.68 1.65 -0.04 0.00 -0.96 0.00 0.00 56.93 58.26 2fr6 s PHE 137 Cb -0.19 -2.79 0.02 0.00 -0.34 0.00 0.00 43.02 39.72 2fr6 s PHE 137 CO 0.30 0.46 0.42 0.41 -1.46 0.00 0.00 175.22 175.34 2fr6 n GLY 138 N 1.36 2.05 0.40 13.12 0.00 -1.26 -4.99 105.19 115.88 2fr6 n GLY 138 Ca -0.04 -1.44 0.18 0.00 0.00 0.00 0.00 46.02 44.72 2fr6 n GLY 138 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 2fr6 h PRO 139 N 0.00 0.41 -0.82 1.61 0.11 -1.92 -1.70 132.00 129.70 2fr6 h PRO 139 Ca -0.21 -0.02 0.07 0.00 0.11 0.00 0.00 66.00 65.94 2fr6 h PRO 139 Cb 0.87 -0.09 -0.05 0.00 0.11 0.00 0.00 31.00 31.84 2fr6 h PRO 139 CO 0.28 0.27 0.53 1.49 -0.21 0.00 0.00 178.00 180.37 2fr6 h GLU 140 N 0.43 0.85 0.00 1.05 4.81 -1.98 -1.22 114.58 118.52 2fr6 h GLU 140 Ca 0.46 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.64 2fr6 h GLU 140 Cb 1.12 -0.19 0.00 0.00 0.63 0.00 0.00 28.75 30.31 2fr6 h GLU 140 CO -0.18 0.56 0.00 -0.44 -0.73 0.00 0.00 179.01 178.23 2fr6 h ASP 141 N 0.88 0.00 -0.02 1.04 3.32 -1.72 -2.47 116.42 117.45 2fr6 h ASP 141 Ca 0.35 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.40 2fr6 h ASP 141 Cb 0.25 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.80 2fr6 h ASP 141 CO -0.13 0.00 -0.03 0.18 -1.72 0.00 0.00 179.24 177.54 2fr6 n LEU 142 N -2.35 2.43 -4.71 1.55 4.77 -0.47 -4.96 117.00 113.26 2fr6 n LEU 142 Ca 0.00 -0.98 -0.42 0.00 -0.03 0.00 0.00 56.01 54.58 2fr6 n LEU 142 Cb 0.14 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.20 2fr6 n LEU 142 CO 0.16 0.43 1.20 0.00 -1.33 0.00 0.00 177.39 177.85 2fr6 s GLN 143 N -1.55 4.24 0.29 3.23 -2.07 -0.93 -4.89 119.66 117.98 2fr6 s GLN 143 Ca 0.20 2.28 0.00 0.00 -1.82 0.00 0.00 55.36 56.02 2fr6 s GLN 143 Cb 0.15 -3.25 0.51 0.00 -1.09 0.00 0.00 33.01 29.33 2fr6 s GLN 143 CO 0.24 -0.58 1.89 1.57 -1.32 0.00 0.00 175.29 177.09 2fr6 h LYS 144 N 7.04 1.03 -5.44 9.60 2.10 -1.92 -3.40 116.57 125.57 2fr6 h LYS 144 Ca -0.42 -0.06 -0.60 0.00 -2.00 0.00 0.00 60.65 57.56 2fr6 h LYS 144 Cb 1.20 -0.23 -0.11 0.00 -0.90 0.00 0.00 32.23 32.19 2fr6 h LYS 144 CO 0.90 0.68 -0.16 0.42 -2.00 0.00 0.00 179.45 179.30 2fr6 s ILE 145 N -5.94 5.17 0.00 0.07 -1.09 -1.26 -5.25 121.20 112.90 2fr6 s ILE 145 Ca -0.12 0.77 0.00 0.00 -2.23 0.00 0.00 60.65 59.07 2fr6 s ILE 145 Cb 0.20 -3.76 0.00 0.00 -1.58 0.00 0.00 42.46 37.32 2fr6 s ILE 145 CO 0.80 0.23 0.00 0.00 -1.23 0.00 0.00 174.94 174.74