#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2fr6 n GLU 11 N 0.00 1.48 0.31 7.34 1.02 -1.26 -4.73 120.64 124.80 2fr6 n GLU 11 Ca 0.00 0.53 0.19 0.00 -0.02 0.00 0.00 57.16 57.86 2fr6 n GLU 11 Cb 0.00 -2.14 1.03 0.00 -0.02 0.00 0.00 31.44 30.31 2fr6 n GLU 11 CO 0.00 0.00 0.00 -1.00 1.18 0.00 0.00 177.13 177.31 2fr6 h PRO 12 N 4.27 0.00 -0.05 3.49 0.13 -2.05 0.12 132.00 137.91 2fr6 h PRO 12 Ca -0.45 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.66 2fr6 h PRO 12 Cb 1.31 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.44 2fr6 h PRO 12 CO 0.76 0.00 -0.04 1.49 -0.23 0.00 0.00 178.00 179.98 2fr6 h GLU 13 N 0.00 0.12 -0.20 0.86 4.57 -2.01 -2.73 114.58 115.20 2fr6 h GLU 13 Ca 0.02 -0.06 -0.15 0.00 -1.18 0.00 0.00 59.36 57.98 2fr6 h GLU 13 Cb 0.17 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 28.75 2fr6 h GLU 13 CO -0.00 0.55 -0.52 0.45 -1.18 0.00 0.00 179.01 178.31 2fr6 h HIS 14 N -0.31 0.68 -0.32 0.92 3.86 -1.48 -2.88 115.15 115.64 2fr6 h HIS 14 Ca 0.01 -0.23 0.05 0.00 -1.16 0.00 0.00 60.37 59.04 2fr6 h HIS 14 Cb 0.52 -0.13 -0.05 0.00 1.06 0.00 0.00 27.41 28.81 2fr6 h HIS 14 CO 0.08 0.95 0.02 0.28 0.86 0.00 0.00 177.93 180.13 2fr6 h VAL 15 N 0.43 0.79 -0.19 2.45 2.07 -0.82 0.28 116.25 121.26 2fr6 h VAL 15 Ca 0.02 -0.04 -0.02 0.00 0.82 0.00 0.00 66.70 67.47 2fr6 h VAL 15 Cb 1.05 0.66 -0.01 0.00 -1.52 0.00 0.00 31.29 31.48 2fr6 h VAL 15 CO 0.10 0.02 0.03 1.56 0.02 0.00 0.00 177.57 179.30 2fr6 h GLN 16 N 0.12 0.32 -0.98 1.57 1.08 -1.49 -0.24 115.11 115.49 2fr6 h GLN 16 Ca 0.15 -0.09 0.02 0.00 -1.45 0.00 0.00 58.65 57.29 2fr6 h GLN 16 Cb 0.19 -0.04 -0.05 0.00 -0.05 0.00 0.00 27.48 27.54 2fr6 h GLN 16 CO -0.24 0.48 0.65 -0.09 -0.95 0.00 0.00 178.83 178.68 2fr6 h ARG 17 N 0.11 1.25 -0.34 1.46 2.43 -1.26 -1.20 114.38 116.83 2fr6 h ARG 17 Ca 0.06 -0.08 -0.05 0.00 -0.81 0.00 0.00 59.98 59.10 2fr6 h ARG 17 Cb 0.32 -0.28 -0.01 0.00 -0.42 0.00 0.00 29.97 29.58 2fr6 h ARG 17 CO 0.00 0.83 0.01 1.25 -1.51 0.00 0.00 179.97 180.55 2fr6 h LEU 18 N 1.29 0.58 -0.57 3.80 5.85 -0.22 -1.14 115.31 124.89 2fr6 h LEU 18 Ca 0.37 -0.30 -0.01 0.00 0.84 0.00 0.00 57.88 58.78 2fr6 h LEU 18 Cb -0.09 -0.16 -0.03 0.00 0.37 0.00 0.00 40.66 40.76 2fr6 h LEU 18 CO -0.10 0.74 0.32 -0.07 -0.34 0.00 0.00 178.44 178.99 2fr6 h LEU 19 N 0.40 0.71 -0.52 2.25 3.38 -0.52 -1.34 115.31 119.68 2fr6 h LEU 19 Ca 0.10 -0.09 -0.13 0.00 0.09 0.00 0.00 57.88 57.85 2fr6 h LEU 19 Cb 0.44 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.99 2fr6 h LEU 19 CO 0.02 0.59 -0.22 -0.07 0.09 0.00 0.00 178.44 178.85 2fr6 h LEU 20 N 0.78 1.00 -1.22 1.67 3.38 -1.18 -2.79 115.31 116.94 2fr6 h LEU 20 Ca 0.20 -0.38 0.01 0.00 0.09 0.00 0.00 57.88 57.80 2fr6 h LEU 20 Cb 0.03 -0.27 -0.04 0.00 0.09 0.00 0.00 40.66 40.47 2fr6 h LEU 20 CO -0.03 1.17 0.53 -1.28 0.09 0.00 0.00 178.44 178.91 2fr6 h SER 21 N 0.84 0.91 -0.51 -0.43 0.87 -0.93 -1.44 113.55 112.85 2fr6 h SER 21 Ca 0.11 -0.02 -0.03 0.00 -1.23 0.00 0.00 61.79 60.62 2fr6 h SER 21 Cb 0.80 -0.23 -0.02 0.00 -0.44 0.00 0.00 62.40 62.51 2fr6 h SER 21 CO 0.07 0.65 0.22 -1.28 -0.53 0.00 0.00 176.83 175.96 2fr6 h SER 22 N 1.07 0.69 -0.34 6.23 0.87 -1.01 -2.02 113.55 119.05 2fr6 h SER 22 Ca 0.29 -0.16 -0.10 0.00 -1.23 0.00 0.00 61.79 60.59 2fr6 h SER 22 Cb -0.11 -0.18 -0.01 0.00 -0.44 0.00 0.00 62.40 61.66 2fr6 h SER 22 CO -0.07 0.66 -0.19 0.03 -0.53 0.00 0.00 176.83 176.73 2fr6 h ARG 23 N 0.68 0.73 -0.88 2.24 3.08 -1.19 -3.12 114.38 115.93 2fr6 h ARG 23 Ca 0.17 -0.33 -0.02 0.00 0.07 0.00 0.00 59.98 59.87 2fr6 h ARG 23 Cb 0.18 -0.01 -0.04 0.00 0.08 0.00 0.00 29.97 30.17 2fr6 h ARG 23 CO -0.02 0.94 0.49 1.49 -1.07 0.00 0.00 179.97 181.80 2fr6 h GLU 24 N 0.50 1.22 -0.45 0.04 4.57 -1.19 -2.17 114.58 117.10 2fr6 h GLU 24 Ca 0.07 -0.14 0.03 0.00 -1.18 0.00 0.00 59.36 58.15 2fr6 h GLU 24 Cb 0.74 -0.24 -0.02 0.00 -0.16 0.00 0.00 28.75 29.06 2fr6 h GLU 24 CO 0.06 0.88 0.30 0.00 -1.18 0.00 0.00 179.01 179.07 2fr6 h ALA 25 N 1.31 1.81 -0.17 2.92 0.00 -1.33 -1.69 119.26 122.12 2fr6 h ALA 25 Ca 0.31 -0.02 0.05 0.00 0.00 0.00 0.00 54.91 55.25 2fr6 h ALA 25 Cb 0.02 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 2fr6 h ALA 25 CO -0.05 0.14 0.20 -0.22 0.00 0.00 0.00 179.25 179.31 2fr6 h LYS 26 N 0.49 0.00 0.00 0.00 3.64 -1.33 -2.01 116.57 117.37 2fr6 h LYS 26 Ca 0.18 0.00 -0.04 0.00 -1.27 0.00 0.00 60.65 59.52 2fr6 h LYS 26 Cb 0.12 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 31.93 2fr6 h LYS 26 CO -0.05 0.00 -0.21 0.87 -2.27 0.00 0.00 179.45 177.80 2fr6 h LYS 27 N 0.00 0.00 -0.01 1.90 1.57 -1.41 -2.73 116.57 115.90 2fr6 h LYS 27 Ca 0.08 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.86 2fr6 h LYS 27 Cb 0.47 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.78 2fr6 h LYS 27 CO -0.00 0.21 -0.17 0.43 -0.57 0.00 0.00 179.45 179.35 2fr6 n SER 28 N -3.91 0.98 -4.57 0.86 7.64 -0.75 -4.96 113.62 108.91 2fr6 n SER 28 Ca -0.02 -0.95 -0.50 0.00 1.01 0.00 0.00 58.87 58.41 2fr6 n SER 28 Cb 0.30 0.06 -0.05 0.00 -1.01 0.00 0.00 64.21 63.51 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 -0.55 -1.11 -3.65 -0.43 0.00 -1.03 -4.93 120.51 108.81 2fr6 n ALA 29 Ca 0.14 0.49 -0.39 0.00 0.00 0.00 0.00 53.44 53.69 2fr6 n ALA 29 Cb 0.33 -2.01 -0.09 0.00 0.00 0.00 0.00 19.45 17.68 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 0.00 3.49 -0.38 0.00 5.04 -0.75 -4.94 117.35 119.81 2fr6 s TYR 30 Ca 0.78 -2.42 0.11 0.00 -2.44 0.00 0.00 57.07 53.10 2fr6 s TYR 30 Cb -0.91 -3.34 0.33 0.00 0.35 0.00 0.00 41.96 38.39 2fr6 s TYR 30 CO 0.51 -0.91 0.75 0.00 -1.34 0.00 0.00 175.55 174.56 2fr6 h PRO 32 N 3.13 0.00 0.04 0.00 0.13 -1.96 0.83 132.00 134.17 2fr6 h PRO 32 Ca 0.07 0.00 -0.22 0.00 -0.87 0.00 0.00 66.00 64.98 2fr6 h PRO 32 Cb 0.98 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.09 2fr6 h PRO 32 CO 0.45 0.00 -1.16 1.88 -0.23 0.00 0.00 178.00 178.94 2fr6 h TYR 33 N 0.00 0.16 0.00 1.56 -1.99 -1.96 -3.39 116.97 111.35 2fr6 h TYR 33 Ca 0.00 -0.12 -0.15 0.00 2.00 0.00 0.00 58.73 60.47 2fr6 h TYR 33 Cb 0.46 -0.01 -0.03 0.00 2.00 0.00 0.00 36.73 39.16 2fr6 h TYR 33 CO 0.00 1.45 -1.57 -1.13 -0.00 0.00 0.00 178.16 176.91 2fr6 n SER 34 N -4.25 0.62 -3.42 3.88 3.41 -1.24 -4.96 113.62 107.67 2fr6 n SER 34 Ca -0.27 0.27 -0.25 0.00 -0.26 0.00 0.00 58.87 58.36 2fr6 n SER 34 Cb 0.74 0.58 0.04 0.00 -0.26 0.00 0.00 64.21 65.31 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 -2.75 -5.49 -3.80 4.33 1.74 0.29 -4.94 116.66 106.04 2fr6 n ARG 35 Ca -0.11 0.74 -0.29 0.00 -0.77 0.00 0.00 57.85 57.42 2fr6 n ARG 35 Cb 0.80 -5.63 -0.13 0.00 -1.02 0.00 0.00 32.46 26.48 2fr6 n ARG 35 CO 0.00 0.00 0.00 0.12 -1.52 0.00 0.00 177.63 176.23 2fr6 s PHE 36 N -3.19 2.55 0.28 -1.55 5.36 -1.26 -5.09 117.98 115.07 2fr6 s PHE 36 Ca 0.47 -2.79 -0.29 0.00 -0.96 0.00 0.00 56.93 53.35 2fr6 s PHE 36 Cb -0.22 -2.26 -0.09 0.00 -0.34 0.00 0.00 43.02 40.10 2fr6 s PHE 36 CO 0.58 -0.74 1.11 -1.25 -1.46 0.00 0.00 175.22 173.47 2fr6 s PRO 37 N -0.12 4.62 -0.01 10.12 0.04 -1.26 -4.95 135.00 143.43 2fr6 s PRO 37 Ca 0.19 1.82 0.02 0.00 0.04 0.00 0.00 61.00 63.07 2fr6 s PRO 37 Cb -0.21 -3.19 0.00 0.00 0.04 0.00 0.00 34.50 31.15 2fr6 s PRO 37 CO -0.03 0.18 -0.05 0.08 0.04 0.00 0.00 177.00 177.22 2fr6 s VAL 38 N -1.09 0.43 0.15 -0.36 1.01 -1.26 -3.86 120.40 115.42 2fr6 s VAL 38 Ca 0.45 -0.20 0.08 0.00 0.00 0.00 0.00 61.98 62.32 2fr6 s VAL 38 Cb -0.32 -0.39 -0.04 0.00 0.00 0.00 0.00 36.38 35.63 2fr6 s VAL 38 CO 0.41 0.14 -0.19 -0.83 0.00 0.00 0.00 175.10 174.64 2fr6 s GLY 39 N 0.10 1.34 0.02 4.51 0.00 0.12 -2.63 107.32 110.79 2fr6 s GLY 39 Ca -0.01 -1.43 -0.11 0.00 0.00 0.00 0.00 44.72 43.17 2fr6 s GLY 39 CO -0.00 -1.47 0.23 0.00 0.00 0.00 0.00 173.10 171.86 2fr6 s ALA 40 N -1.86 -0.51 -0.05 3.20 0.00 -0.20 0.01 121.76 122.34 2fr6 s ALA 40 Ca 0.13 -0.04 -0.02 0.00 0.00 0.00 0.00 51.96 52.04 2fr6 s ALA 40 Cb -0.07 0.19 0.04 0.00 0.00 0.00 0.00 23.12 23.28 2fr6 s ALA 40 CO 0.06 -0.30 0.10 0.00 0.00 0.00 0.00 175.76 175.61 2fr6 s ALA 41 N -1.93 -0.10 -0.13 0.00 0.00 -0.45 -0.64 121.76 118.50 2fr6 s ALA 41 Ca -0.10 0.51 -0.03 0.00 0.00 0.00 0.00 51.96 52.34 2fr6 s ALA 41 Cb -0.04 -0.41 -0.03 0.00 0.00 0.00 0.00 23.12 22.64 2fr6 s ALA 41 CO -0.00 -0.18 -0.03 -1.17 0.00 0.00 0.00 175.76 174.37 2fr6 s LEU 42 N 1.26 3.31 -0.22 0.00 2.96 0.19 -0.79 118.68 125.39 2fr6 s LEU 42 Ca -0.08 -0.06 -0.07 0.00 -0.22 0.00 0.00 54.13 53.70 2fr6 s LEU 42 Cb -0.12 -1.78 -0.04 0.00 0.50 0.00 0.00 46.19 44.75 2fr6 s LEU 42 CO -0.05 0.23 0.07 -0.22 -1.32 0.00 0.00 176.35 175.06 2fr6 s LEU 43 N -0.03 3.62 0.55 -0.68 2.96 0.84 -0.60 118.68 125.34 2fr6 s LEU 43 Ca 0.01 -0.07 -0.03 0.00 -0.22 0.00 0.00 54.13 53.83 2fr6 s LEU 43 Cb -0.13 -1.94 0.01 0.00 0.50 0.00 0.00 46.19 44.63 2fr6 s LEU 43 CO 0.02 0.07 0.82 0.42 -1.32 0.00 0.00 176.35 176.36 2fr6 s THR 44 N 1.00 3.59 0.47 3.68 -4.23 0.27 -0.53 115.64 119.89 2fr6 s THR 44 Ca 0.04 -0.24 0.21 0.00 -1.18 0.00 0.00 61.69 60.52 2fr6 s THR 44 Cb -0.14 -3.39 0.39 0.00 1.34 0.00 0.00 72.50 70.70 2fr6 s THR 44 CO 0.03 -0.35 1.93 1.23 -0.54 0.00 0.00 174.62 176.91 2fr6 h GLY 45 N 0.01 0.42 -1.75 3.99 0.00 -0.85 -1.00 103.07 103.89 2fr6 h GLY 45 Ca -0.45 -0.10 0.00 0.00 0.00 0.00 0.00 47.33 46.78 2fr6 h GLY 45 CO 0.59 0.02 0.00 2.09 0.00 0.00 0.00 176.54 179.24 2fr6 n ASP 46 N -4.42 2.64 0.00 0.19 5.75 -1.26 -4.94 116.55 114.50 2fr6 n ASP 46 Ca 0.14 -1.95 0.00 0.00 -0.01 0.00 0.00 54.79 52.97 2fr6 n ASP 46 Cb 0.65 -0.29 0.00 0.00 -1.03 0.00 0.00 41.12 40.45 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 1.30 0.41 3.79 6.12 0.00 -0.38 -5.07 105.19 111.36 2fr6 n GLY 47 Ca 0.17 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.83 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 -0.88 4.18 -0.07 1.61 3.52 -1.26 -4.75 118.95 121.30 2fr6 s ARG 48 Ca 0.00 1.43 0.03 0.00 -0.13 0.00 0.00 55.73 57.07 2fr6 s ARG 48 Cb 0.00 -2.48 -0.02 0.00 -1.56 0.00 0.00 34.95 30.89 2fr6 s ARG 48 CO 0.00 -0.11 -0.17 0.42 -0.81 0.00 0.00 175.30 174.63 2fr6 s ILE 49 N -1.74 2.77 -0.10 4.11 1.01 -1.26 -0.57 121.20 125.42 2fr6 s ILE 49 Ca 0.58 -0.81 0.02 0.00 0.00 0.00 0.00 60.65 60.45 2fr6 s ILE 49 Cb -0.20 -2.09 0.01 0.00 0.01 0.00 0.00 42.46 40.20 2fr6 s ILE 49 CO 0.25 0.57 -0.17 -0.36 0.00 0.00 0.00 174.94 175.23 2fr6 s PHE 50 N -0.27 2.01 0.37 3.97 0.40 0.23 -4.94 117.98 119.75 2fr6 s PHE 50 Ca 0.01 -0.89 0.08 0.00 -0.60 0.00 0.00 56.93 55.53 2fr6 s PHE 50 Cb -0.13 -1.42 -0.04 0.00 0.51 0.00 0.00 43.02 41.94 2fr6 s PHE 50 CO 0.03 -0.43 0.19 -1.54 0.70 0.00 0.00 175.22 174.16 2fr6 s SER 51 N 0.79 4.68 0.26 1.36 1.04 -1.26 0.54 113.70 121.10 2fr6 s SER 51 Ca -0.11 -0.84 -0.20 0.00 0.48 0.00 0.00 55.95 55.29 2fr6 s SER 51 Cb -0.16 -0.65 0.02 0.00 0.10 0.00 0.00 66.02 65.33 2fr6 s SER 51 CO 0.02 -0.41 0.66 -0.83 0.98 0.00 0.00 173.24 173.66 2fr6 s GLY 52 N -3.90 -0.07 0.12 7.32 0.00 0.18 -4.33 107.32 106.65 2fr6 s GLY 52 Ca 0.40 -0.29 -0.02 0.00 0.00 0.00 0.00 44.72 44.80 2fr6 s GLY 52 CO 0.23 -0.15 0.07 0.00 0.00 0.00 0.00 173.10 173.26 2fr6 s ASN 54 N -3.01 6.90 -0.25 0.00 4.22 -1.08 -3.87 114.94 117.86 2fr6 s ASN 54 Ca 0.20 1.98 -0.03 0.00 -2.14 0.00 0.00 52.86 52.87 2fr6 s ASN 54 Cb 0.07 -2.58 0.08 0.00 1.28 0.00 0.00 41.25 40.10 2fr6 s ASN 54 CO -0.01 -0.39 0.08 -0.63 -2.04 0.00 0.00 177.10 174.11 2fr6 s ILE 55 N -1.67 0.44 0.93 0.54 1.01 -0.47 -1.81 121.20 120.17 2fr6 s ILE 55 Ca 0.56 -0.82 -0.13 0.00 0.00 0.00 0.00 60.65 60.26 2fr6 s ILE 55 Cb -0.21 -1.17 0.19 0.00 0.01 0.00 0.00 42.46 41.29 2fr6 s ILE 55 CO 0.26 -0.47 1.27 -1.61 0.00 0.00 0.00 174.94 174.39 2fr6 s GLU 56 N 1.87 0.77 -0.05 2.79 2.02 0.67 -1.13 118.70 125.64 2fr6 s GLU 56 Ca 0.05 -0.56 -0.13 0.00 0.02 0.00 0.00 54.97 54.34 2fr6 s GLU 56 Cb -0.17 -1.93 0.02 0.00 0.10 0.00 0.00 34.13 32.16 2fr6 s GLU 56 CO -0.20 -2.28 0.31 1.21 0.02 0.00 0.00 175.26 174.32 2fr6 s ASN 57 N -4.88 -0.22 0.41 -0.19 3.84 -1.26 -4.77 114.94 107.86 2fr6 s ASN 57 Ca 0.73 0.24 0.20 0.00 0.21 0.00 0.00 52.86 54.25 2fr6 s ASN 57 Cb -0.04 0.41 1.16 0.00 -0.55 0.00 0.00 41.25 42.23 2fr6 s ASN 57 CO 0.52 -0.34 1.75 0.00 -2.79 0.00 0.00 177.10 176.23 2fr6 h ALA 58 N 4.42 2.31 -2.08 1.71 0.00 -1.99 -2.93 119.26 120.70 2fr6 h ALA 58 Ca -0.29 0.07 -0.74 0.00 0.00 0.00 0.00 54.91 53.95 2fr6 h ALA 58 Cb 1.18 0.06 -0.23 0.00 0.00 0.00 0.00 17.79 18.80 2fr6 h ALA 58 CO 0.37 -0.75 -0.16 0.00 0.00 0.00 0.00 179.25 178.70 2fr6 n TYR 60 N 5.47 0.34 0.20 0.00 0.53 -1.11 -1.34 117.16 121.26 2fr6 n TYR 60 Ca -0.13 1.00 0.17 0.00 -1.02 0.00 0.00 57.90 57.92 2fr6 n TYR 60 Cb 0.41 -1.00 0.82 0.00 -1.03 0.00 0.00 39.34 38.54 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 -0.00 -0.72 0.11 -1.94 -1.76 132.00 127.70 2fr6 h PRO 61 Ca 0.41 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.52 2fr6 h PRO 61 Cb 0.68 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.79 2fr6 h PRO 61 CO -0.83 0.00 -0.00 1.28 -0.21 0.00 0.00 178.00 178.24 2fr6 n LEU 62 N -3.80 0.06 -4.82 2.35 4.77 -0.45 -4.85 117.00 110.25 2fr6 n LEU 62 Ca 0.02 0.03 -0.29 0.00 -0.03 0.00 0.00 56.01 55.73 2fr6 n LEU 62 Cb 0.34 -0.05 0.17 0.00 -2.33 0.00 0.00 43.42 41.55 2fr6 n LEU 62 CO 0.27 0.01 0.77 -0.83 -1.33 0.00 0.00 177.39 176.29 2fr6 s GLY 63 N -2.09 1.66 0.02 -0.72 0.00 -0.66 -4.73 107.32 100.79 2fr6 s GLY 63 Ca 0.44 -0.88 -0.01 0.00 0.00 0.00 0.00 44.72 44.28 2fr6 s GLY 63 CO 0.38 -0.19 -0.01 0.54 0.00 0.00 0.00 173.10 173.82 2fr6 s VAL 64 N -3.51 0.11 0.43 1.40 0.11 -0.29 -4.98 120.40 113.67 2fr6 s VAL 64 Ca 0.69 -0.91 -0.10 0.00 -2.93 0.00 0.00 61.98 58.73 2fr6 s VAL 64 Cb -0.09 -0.30 -0.06 0.00 -1.53 0.00 0.00 36.38 34.40 2fr6 s VAL 64 CO 0.53 -0.50 0.80 0.00 -3.33 0.00 0.00 175.10 172.60 2fr6 h ALA 66 N 1.00 0.59 -0.21 0.00 0.00 -1.84 -1.23 119.26 117.57 2fr6 h ALA 66 Ca -0.47 0.07 0.05 0.00 0.00 0.00 0.00 54.91 54.56 2fr6 h ALA 66 Cb 1.19 0.05 -0.05 0.00 0.00 0.00 0.00 17.79 18.98 2fr6 h ALA 66 CO 0.63 -0.23 -0.11 0.93 0.00 0.00 0.00 179.25 180.46 2fr6 h GLU 67 N 0.33 -0.09 -0.02 0.00 3.07 -1.89 -0.77 114.58 115.21 2fr6 h GLU 67 Ca 0.24 0.01 -0.10 0.00 -0.50 0.00 0.00 59.36 59.00 2fr6 h GLU 67 Cb 0.26 0.02 -0.01 0.00 -0.84 0.00 0.00 28.75 28.18 2fr6 h GLU 67 CO -0.25 -0.06 -0.47 0.00 -1.40 0.00 0.00 179.01 176.83 2fr6 h ARG 68 N -0.10 0.05 -0.53 2.33 3.08 -1.86 0.17 114.38 117.53 2fr6 h ARG 68 Ca 0.12 -0.03 -0.03 0.00 0.07 0.00 0.00 59.98 60.11 2fr6 h ARG 68 Cb 0.27 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.30 2fr6 h ARG 68 CO -0.27 0.51 0.21 1.15 -1.07 0.00 0.00 179.97 180.50 2fr6 h THR 69 N 0.04 1.22 -0.13 2.04 2.02 -0.59 0.25 112.91 117.76 2fr6 h THR 69 Ca -0.00 -0.69 -0.02 0.00 0.77 0.00 0.00 66.41 66.46 2fr6 h THR 69 Cb 0.85 0.68 -0.00 0.00 -1.74 0.00 0.00 68.15 67.93 2fr6 h THR 69 CO 0.06 0.26 -0.01 0.00 0.37 0.00 0.00 175.52 176.21 2fr6 h ALA 70 N 1.06 0.18 -0.61 6.16 0.00 -0.80 -1.88 119.26 123.36 2fr6 h ALA 70 Ca 0.18 -0.20 -0.04 0.00 0.00 0.00 0.00 54.91 54.85 2fr6 h ALA 70 Cb 0.21 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 17.92 2fr6 h ALA 70 CO -0.01 -0.11 0.24 0.82 0.00 0.00 0.00 179.25 180.19 2fr6 h ILE 71 N -0.04 1.23 -0.56 0.00 2.04 -0.80 -1.92 117.51 117.46 2fr6 h ILE 71 Ca 0.04 -0.72 -0.03 0.00 1.00 0.00 0.00 64.86 65.15 2fr6 h ILE 71 Cb 0.39 0.56 -0.03 0.00 -0.74 0.00 0.00 36.82 37.01 2fr6 h ILE 71 CO 0.01 0.28 0.25 1.56 0.00 0.00 0.00 178.15 180.25 2fr6 h GLN 72 N 0.85 0.82 0.22 2.37 4.20 -0.51 -1.65 115.11 121.42 2fr6 h GLN 72 Ca 0.20 -0.14 0.01 0.00 0.06 0.00 0.00 58.65 58.78 2fr6 h GLN 72 Cb 0.20 -0.14 -0.02 0.00 0.30 0.00 0.00 27.48 27.82 2fr6 h GLN 72 CO -0.02 0.70 -0.28 -0.22 -0.67 0.00 0.00 178.83 178.34 2fr6 h LYS 73 N 0.76 -0.53 -0.41 1.46 3.64 -1.11 -1.31 116.57 119.08 2fr6 h LYS 73 Ca 0.19 0.04 0.07 0.00 -1.27 0.00 0.00 60.65 59.68 2fr6 h LYS 73 Cb 0.16 0.12 -0.07 0.00 -0.41 0.00 0.00 32.23 32.04 2fr6 h LYS 73 CO -0.02 -0.35 0.01 0.00 -2.27 0.00 0.00 179.45 176.82 2fr6 h ALA 74 N 0.09 0.39 -0.67 5.00 0.00 -1.17 -2.30 119.26 120.59 2fr6 h ALA 74 Ca 0.00 0.11 -0.04 0.00 0.00 0.00 0.00 54.91 54.99 2fr6 h ALA 74 Cb 0.53 0.19 -0.03 0.00 0.00 0.00 0.00 17.79 18.48 2fr6 h ALA 74 CO -0.09 -0.38 0.28 0.82 0.00 0.00 0.00 179.25 179.87 2fr6 h ILE 75 N 0.12 1.23 0.00 0.00 2.04 -1.11 -1.52 117.51 118.26 2fr6 h ILE 75 Ca 0.20 -0.71 0.00 0.00 1.00 0.00 0.00 64.86 65.36 2fr6 h ILE 75 Cb 0.28 0.42 0.00 0.00 -0.74 0.00 0.00 36.82 36.78 2fr6 h ILE 75 CO -0.33 0.29 0.00 0.77 0.00 0.00 0.00 178.15 178.88 2fr6 h SER 76 N 0.96 0.00 -0.66 1.72 4.64 -0.68 -0.66 113.55 118.88 2fr6 h SER 76 Ca 0.23 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.55 2fr6 h SER 76 Cb 0.17 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.26 2fr6 h SER 76 CO -0.02 0.00 0.00 -0.62 -0.87 0.00 0.00 176.83 175.32 2fr6 n GLU 77 N -2.63 2.68 -0.61 4.77 -0.58 -0.65 -4.94 120.64 118.68 2fr6 n GLU 77 Ca -0.00 -2.60 0.00 0.00 -0.42 0.00 0.00 57.16 54.14 2fr6 n GLU 77 Cb 0.16 -1.57 0.00 0.00 -0.57 0.00 0.00 31.44 29.47 2fr6 n GLU 77 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2fr6 n GLY 78 N 1.65 0.66 3.41 0.62 0.00 -0.25 -5.06 105.19 106.22 2fr6 n GLY 78 Ca 0.24 -0.32 -0.36 0.00 0.00 0.00 0.00 46.02 45.58 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 3.03 0.00 1.61 1.51 -0.75 -4.93 117.35 115.82 2fr6 s TYR 79 Ca 0.00 -0.58 0.00 0.00 -1.01 0.00 0.00 57.07 55.48 2fr6 s TYR 79 Cb 0.00 -2.15 0.00 0.00 -0.11 0.00 0.00 41.96 39.70 2fr6 s TYR 79 CO 0.00 -0.37 0.64 1.63 -1.11 0.00 0.00 175.55 176.34 2fr6 n LYS 80 N 4.67 1.07 -3.64 -0.62 5.02 -1.26 -3.13 118.16 120.27 2fr6 n LYS 80 Ca -0.17 -0.85 -0.39 0.00 -2.02 0.00 0.00 58.31 54.88 2fr6 n LYS 80 Cb 0.51 -0.78 -0.10 0.00 -0.02 0.00 0.00 35.03 34.64 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 -0.41 5.56 -0.06 4.39 2.15 -1.26 -4.96 116.67 122.08 2fr6 s ASP 81 Ca 0.00 -1.63 -0.00 0.00 0.43 0.00 0.00 52.55 51.35 2fr6 s ASP 81 Cb 0.00 -1.95 -0.03 0.00 -0.30 0.00 0.00 42.92 40.63 2fr6 s ASP 81 CO 0.00 -0.55 -0.02 -0.36 -0.17 0.00 0.00 175.17 174.08 2fr6 s PHE 82 N 1.37 3.08 -0.20 -5.34 0.08 -1.26 -0.15 117.98 115.56 2fr6 s PHE 82 Ca 0.04 0.12 0.07 0.00 0.12 0.00 0.00 56.93 57.28 2fr6 s PHE 82 Cb -0.23 -1.73 -0.17 0.00 -0.57 0.00 0.00 43.02 40.31 2fr6 s PHE 82 CO 0.01 0.43 -0.09 0.54 -0.10 0.00 0.00 175.22 176.01 2fr6 n ARG 83 N 1.94 0.82 -3.51 0.44 1.74 0.31 -4.78 116.66 113.61 2fr6 n ARG 83 Ca -0.17 0.07 -0.08 0.00 -0.77 0.00 0.00 57.85 56.90 2fr6 n ARG 83 Cb 0.53 -1.44 -0.02 0.00 -1.02 0.00 0.00 32.46 30.51 2fr6 n ARG 83 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2fr6 s ALA 84 N -2.43 -1.85 -0.01 7.54 0.00 -1.19 -1.92 121.76 121.90 2fr6 s ALA 84 Ca -0.21 1.09 -0.00 0.00 0.00 0.00 0.00 51.96 52.84 2fr6 s ALA 84 Cb 0.07 0.33 0.01 0.00 0.00 0.00 0.00 23.12 23.52 2fr6 s ALA 84 CO 0.59 -0.67 0.01 -1.50 0.00 0.00 0.00 175.76 174.20 2fr6 s ILE 85 N -2.99 -0.02 -0.01 0.00 2.07 0.27 -0.11 121.20 120.42 2fr6 s ILE 85 Ca 0.05 0.07 0.06 0.00 -1.41 0.00 0.00 60.65 59.42 2fr6 s ILE 85 Cb -0.01 -0.04 -0.03 0.00 0.13 0.00 0.00 42.46 42.51 2fr6 s ILE 85 CO -0.08 0.03 -0.17 0.00 -1.91 0.00 0.00 174.94 172.80 2fr6 s ALA 86 N 0.36 2.57 -0.01 1.50 0.00 0.03 -0.21 121.76 125.99 2fr6 s ALA 86 Ca -0.03 -1.09 0.08 0.00 0.00 0.00 0.00 51.96 50.92 2fr6 s ALA 86 Cb -0.04 -0.82 -0.02 0.00 0.00 0.00 0.00 23.12 22.24 2fr6 s ALA 86 CO -0.01 0.56 -0.25 0.42 0.00 0.00 0.00 175.76 176.48 2fr6 s ILE 87 N -0.80 1.96 0.01 0.00 1.01 -0.31 -1.34 121.20 121.72 2fr6 s ILE 87 Ca 0.13 -1.10 0.01 0.00 0.00 0.00 0.00 60.65 59.69 2fr6 s ILE 87 Cb -0.10 -1.64 -0.01 0.00 0.01 0.00 0.00 42.46 40.72 2fr6 s ILE 87 CO 0.02 0.52 -0.05 -0.44 0.00 0.00 0.00 174.94 174.99 2fr6 s SER 88 N -0.68 0.56 0.32 3.58 0.01 0.10 -3.16 113.70 114.44 2fr6 s SER 88 Ca 0.10 -0.19 0.00 0.00 1.31 0.00 0.00 55.95 57.17 2fr6 s SER 88 Cb -0.10 -0.03 -0.00 0.00 0.21 0.00 0.00 66.02 66.10 2fr6 s SER 88 CO -0.01 -0.01 0.41 -1.54 0.41 0.00 0.00 173.24 172.50 2fr6 n SER 89 N 2.62 -1.13 -0.53 2.44 3.41 -1.26 0.16 113.62 119.32 2fr6 n SER 89 Ca -0.15 -2.84 0.13 0.00 -0.26 0.00 0.00 58.87 55.75 2fr6 n SER 89 Cb 0.58 2.19 0.30 0.00 -0.26 0.00 0.00 64.21 67.01 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 -1.69 1.82 -4.60 4.04 8.00 -1.25 -4.37 116.55 118.50 2fr6 n ASP 90 Ca 0.02 -1.46 -0.43 0.00 0.71 0.00 0.00 54.79 53.63 2fr6 n ASP 90 Cb 0.55 0.12 -0.03 0.00 -0.02 0.00 0.00 41.12 41.74 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 -2.21 3.48 0.01 0.64 2.96 -1.26 -4.87 118.68 117.43 2fr6 s LEU 91 Ca 0.29 1.46 -0.19 0.00 -0.22 0.00 0.00 54.13 55.47 2fr6 s LEU 91 Cb 0.20 -3.48 -0.24 0.00 0.50 0.00 0.00 46.19 43.17 2fr6 s LEU 91 CO 0.42 -1.81 1.10 1.56 -1.32 0.00 0.00 176.35 176.29 2fr6 h GLN 92 N 13.67 0.45 0.00 1.98 1.08 -1.98 -3.35 115.11 126.96 2fr6 h GLN 92 Ca -0.36 -0.50 0.00 0.00 -1.45 0.00 0.00 58.65 56.34 2fr6 h GLN 92 Cb 1.19 0.15 0.00 0.00 -0.05 0.00 0.00 27.48 28.77 2fr6 h GLN 92 CO 1.01 1.15 0.00 -0.85 -0.95 0.00 0.00 178.83 179.20 2fr6 n GLU 93 N -4.15 0.04 -3.64 1.46 0.28 -1.26 -4.79 120.64 108.59 2fr6 n GLU 93 Ca -0.11 0.33 -0.15 0.00 -0.16 0.00 0.00 57.16 57.07 2fr6 n GLU 93 Cb 0.72 -1.59 -0.07 0.00 1.43 0.00 0.00 31.44 31.93 2fr6 n GLU 93 CO 0.00 0.00 0.00 -2.00 -0.16 0.00 0.00 177.13 174.97 2fr6 s GLU 94 N -3.08 0.89 0.32 3.44 2.56 -1.26 -5.13 118.70 116.43 2fr6 s GLU 94 Ca 0.05 -0.04 -0.29 0.00 0.00 0.00 0.00 54.97 54.69 2fr6 s GLU 94 Cb 0.08 0.41 -0.10 0.00 2.00 0.00 0.00 34.13 36.52 2fr6 s GLU 94 CO 0.26 -0.27 1.32 -0.06 -0.56 0.00 0.00 175.26 175.95 2fr6 s PHE 95 N -1.52 3.04 -0.10 5.30 0.40 -1.26 -4.72 117.98 119.13 2fr6 s PHE 95 Ca -0.11 1.36 -0.28 0.00 -0.60 0.00 0.00 56.93 57.31 2fr6 s PHE 95 Cb -0.02 -3.70 -0.02 0.00 0.51 0.00 0.00 43.02 39.79 2fr6 s PHE 95 CO 0.05 -1.97 0.91 -1.50 0.70 0.00 0.00 175.22 173.41 2fr6 s ILE 96 N -0.97 4.86 0.11 0.64 1.10 -0.58 -4.90 121.20 121.47 2fr6 s ILE 96 Ca 0.50 1.85 0.09 0.00 -0.51 0.00 0.00 60.65 62.58 2fr6 s ILE 96 Cb -0.40 -4.23 -0.04 0.00 0.15 0.00 0.00 42.46 37.94 2fr6 s ILE 96 CO 0.52 0.07 -0.18 -0.94 -2.11 0.00 0.00 174.94 172.29 2fr6 s SER 97 N 1.06 3.86 0.38 4.50 1.04 -1.26 -4.08 113.70 119.20 2fr6 s SER 97 Ca 0.45 -0.56 -0.26 0.00 0.48 0.00 0.00 55.95 56.05 2fr6 s SER 97 Cb -0.18 -0.53 -0.09 0.00 0.10 0.00 0.00 66.02 65.32 2fr6 s SER 97 CO 0.18 0.18 1.24 -2.16 0.98 0.00 0.00 173.24 173.66 2fr6 s PRO 98 N -2.09 4.10 0.90 4.02 0.04 -1.26 -5.02 135.00 135.69 2fr6 s PRO 98 Ca 0.18 2.02 -0.12 0.00 0.04 0.00 0.00 61.00 63.12 2fr6 s PRO 98 Cb -0.11 -2.80 0.13 0.00 0.04 0.00 0.00 34.50 31.77 2fr6 s PRO 98 CO 0.10 -0.33 1.10 0.00 0.04 0.00 0.00 177.00 177.90 2fr6 h GLY 100 N -1.52 1.10 0.97 0.00 0.00 -1.97 -2.01 103.07 99.64 2fr6 h GLY 100 Ca -0.50 -0.35 -0.02 0.00 0.00 0.00 0.00 47.33 46.46 2fr6 h GLY 100 CO 0.58 0.25 0.25 0.00 0.00 0.00 0.00 176.54 177.62 2fr6 h ALA 101 N 1.57 0.64 -0.54 3.60 0.00 -2.00 -1.34 119.26 121.20 2fr6 h ALA 101 Ca 0.34 -0.11 -0.07 0.00 0.00 0.00 0.00 54.91 55.07 2fr6 h ALA 101 Cb 0.25 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 2fr6 h ALA 101 CO -0.12 0.20 0.04 0.00 0.00 0.00 0.00 179.25 179.37 2fr6 h ARG 103 N 0.83 0.85 -0.10 0.00 3.08 -0.96 -0.51 114.38 117.57 2fr6 h ARG 103 Ca 0.17 -0.12 -0.13 0.00 0.07 0.00 0.00 59.98 59.96 2fr6 h ARG 103 Cb 0.43 -0.15 -0.01 0.00 0.08 0.00 0.00 29.97 30.32 2fr6 h ARG 103 CO 0.02 0.68 -0.52 0.37 -1.07 0.00 0.00 179.97 179.44 2fr6 h GLN 104 N 0.84 0.29 -0.19 0.04 5.75 -0.73 -0.98 115.11 120.13 2fr6 h GLN 104 Ca 0.20 -0.17 -0.21 0.00 -0.15 0.00 0.00 58.65 58.32 2fr6 h GLN 104 Cb 0.14 0.02 0.01 0.00 1.07 0.00 0.00 27.48 28.71 2fr6 h GLN 104 CO -0.02 0.74 -0.70 0.28 -2.65 0.00 0.00 178.83 176.47 2fr6 h VAL 105 N 0.22 1.28 -0.46 2.39 2.07 -0.89 -2.56 116.25 118.31 2fr6 h VAL 105 Ca 0.01 -1.91 0.00 0.00 0.82 0.00 0.00 66.70 65.62 2fr6 h VAL 105 Cb 1.00 1.88 -0.02 0.00 -1.52 0.00 0.00 31.29 32.62 2fr6 h VAL 105 CO 0.08 0.61 0.29 0.24 0.02 0.00 0.00 177.57 178.82 2fr6 h MET 106 N 0.56 0.61 -0.09 1.57 2.86 -0.94 -2.56 114.93 116.94 2fr6 h MET 106 Ca -0.03 -0.04 -0.01 0.00 -2.06 0.00 0.00 59.70 57.55 2fr6 h MET 106 Cb 1.32 -0.13 -0.01 0.00 0.06 0.00 0.00 31.60 32.84 2fr6 h MET 106 CO 0.15 0.42 -0.01 -0.09 1.06 0.00 0.00 176.91 178.44 2fr6 h ARG 107 N 0.62 0.12 -0.54 1.72 1.12 -1.09 -1.00 114.38 115.32 2fr6 h ARG 107 Ca 0.17 -0.01 0.16 0.00 -1.11 0.00 0.00 59.98 59.18 2fr6 h ARG 107 Cb -0.05 -0.02 -0.02 0.00 -0.01 0.00 0.00 29.97 29.87 2fr6 h ARG 107 CO -0.03 0.15 0.39 1.49 -3.11 0.00 0.00 179.97 178.85 2fr6 h GLU 108 N 0.12 0.00 -0.63 0.20 4.57 -1.03 -1.47 114.58 116.34 2fr6 h GLU 108 Ca 0.03 0.00 -0.41 0.00 -1.18 0.00 0.00 59.36 57.80 2fr6 h GLU 108 Cb 0.10 0.00 -0.26 0.00 -0.16 0.00 0.00 28.75 28.44 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 -4.35 2.11 0.00 0.92 3.01 -0.38 -4.92 117.46 113.85 2fr6 n PHE 109 Ca 0.10 -2.11 0.00 0.00 1.01 0.00 0.00 57.45 56.45 2fr6 n PHE 109 Cb 0.62 -0.65 0.00 0.00 -0.01 0.00 0.00 39.48 39.44 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 -0.95 3.13 0.00 1.37 0.00 -0.56 -4.74 105.19 103.45 2fr6 n GLY 110 Ca 0.43 -1.86 0.02 0.00 0.00 0.00 0.00 46.02 44.62 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 -0.49 0.00 1.55 2.61 -2.24 -1.26 -3.98 114.28 110.47 2fr6 n THR 111 Ca 0.00 -0.22 0.11 0.00 -2.27 0.00 0.00 64.05 61.67 2fr6 n THR 111 Cb 0.00 0.64 0.49 0.00 -2.10 0.00 0.00 70.33 69.36 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 -1.44 1.04 -4.95 3.42 4.64 -1.26 -1.36 116.55 116.64 2fr6 n ASP 112 Ca -0.00 -1.54 -0.24 0.00 -1.38 0.00 0.00 54.79 51.64 2fr6 n ASP 112 Cb 0.10 -0.05 0.04 0.00 -1.04 0.00 0.00 41.12 40.17 2fr6 n ASP 112 CO 0.00 0.00 0.00 -1.66 -0.82 0.00 0.00 177.20 174.72 2fr6 s TRP 113 N -1.90 3.01 0.04 -0.67 1.48 -1.26 -4.86 118.94 114.78 2fr6 s TRP 113 Ca 0.33 0.27 -0.14 0.00 -1.06 0.00 0.00 56.10 55.50 2fr6 s TRP 113 Cb 0.17 -2.78 -0.06 0.00 -1.16 0.00 0.00 33.47 29.64 2fr6 s TRP 113 CO 0.27 -0.90 0.43 0.00 -4.06 0.00 0.00 176.95 172.69 2fr6 s ALA 114 N -2.89 3.69 -0.19 2.67 0.00 -0.81 -2.02 121.76 122.22 2fr6 s ALA 114 Ca 0.56 -0.23 0.01 0.00 0.00 0.00 0.00 51.96 52.29 2fr6 s ALA 114 Cb -0.10 -2.39 0.03 0.00 0.00 0.00 0.00 23.12 20.66 2fr6 s ALA 114 CO 0.41 0.49 -0.18 0.08 0.00 0.00 0.00 175.76 176.57 2fr6 s VAL 115 N -1.19 1.98 -0.42 0.00 1.01 -0.25 -0.56 120.40 120.97 2fr6 s VAL 115 Ca 0.28 -0.98 -0.16 0.00 0.00 0.00 0.00 61.98 61.12 2fr6 s VAL 115 Cb -0.16 -1.84 0.03 0.00 0.00 0.00 0.00 36.38 34.41 2fr6 s VAL 115 CO 0.15 0.44 0.34 -0.31 0.00 0.00 0.00 175.10 175.73 2fr6 s TYR 116 N 1.30 3.23 -0.41 5.22 2.02 0.70 -2.14 117.35 127.27 2fr6 s TYR 116 Ca 0.03 -0.61 -0.16 0.00 -0.37 0.00 0.00 57.07 55.97 2fr6 s TYR 116 Cb -0.14 -2.74 0.02 0.00 -0.40 0.00 0.00 41.96 38.70 2fr6 s TYR 116 CO -0.12 -0.65 0.33 -1.64 -1.57 0.00 0.00 175.55 171.91 2fr6 s MET 117 N 1.76 3.00 0.48 -0.62 -1.94 -0.02 -1.17 119.30 120.79 2fr6 s MET 117 Ca 0.06 -0.96 0.07 0.00 -1.71 0.00 0.00 55.69 53.15 2fr6 s MET 117 Cb -0.20 -3.98 0.01 0.00 2.01 0.00 0.00 34.83 32.67 2fr6 s MET 117 CO 0.10 -0.78 0.39 0.95 -0.01 0.00 0.00 175.02 175.68 2fr6 s THR 118 N 1.79 2.19 0.23 2.05 -4.23 -1.19 -0.98 115.64 115.50 2fr6 s THR 118 Ca 0.07 -1.42 0.10 0.00 -1.18 0.00 0.00 61.69 59.26 2fr6 s THR 118 Cb -0.19 -2.61 -0.05 0.00 1.34 0.00 0.00 72.50 71.00 2fr6 s THR 118 CO 0.11 0.00 -0.18 -0.54 -0.54 0.00 0.00 174.62 173.46 2fr6 s LYS 119 N -4.20 1.49 0.64 3.99 1.02 -0.47 -1.52 119.74 120.69 2fr6 s LYS 119 Ca 0.43 -1.63 0.33 0.00 0.02 0.00 0.00 55.97 55.12 2fr6 s LYS 119 Cb -0.02 -1.51 1.83 0.00 -0.52 0.00 0.00 37.83 37.60 2fr6 s LYS 119 CO 0.25 0.28 2.08 -1.35 -0.92 0.00 0.00 175.35 175.70 2fr6 h PRO 120 N 2.62 0.00 -0.02 -1.68 0.11 -1.76 -1.45 132.00 129.82 2fr6 h PRO 120 Ca -0.40 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.71 2fr6 h PRO 120 Cb 1.23 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.34 2fr6 h PRO 120 CO 0.58 0.00 0.00 -0.40 -0.21 0.00 0.00 178.00 177.97 2fr6 n ASP 121 N -3.27 0.75 0.00 -2.05 5.68 -1.26 -4.92 116.55 111.48 2fr6 n ASP 121 Ca -0.00 -1.29 0.00 0.00 -0.50 0.00 0.00 54.79 52.99 2fr6 n ASP 121 Cb 0.31 -0.01 0.00 0.00 -1.14 0.00 0.00 41.12 40.28 2fr6 n ASP 121 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2fr6 n GLY 122 N 1.07 1.74 3.81 6.12 0.00 -0.54 -5.07 105.19 112.31 2fr6 n GLY 122 Ca 0.21 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.91 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 -2.49 3.83 0.24 2.61 -4.23 -1.26 -4.83 115.64 109.51 2fr6 s THR 123 Ca 0.00 0.71 -0.22 0.00 -1.18 0.00 0.00 61.69 61.00 2fr6 s THR 123 Cb 0.00 -3.33 0.03 0.00 1.34 0.00 0.00 72.50 70.55 2fr6 s THR 123 CO 0.00 -0.67 0.72 0.72 -0.54 0.00 0.00 174.62 174.85 2fr6 s PHE 124 N -2.77 -0.25 0.01 3.99 -0.12 -1.26 -1.37 117.98 116.21 2fr6 s PHE 124 Ca 0.61 -0.14 0.03 0.00 -0.05 0.00 0.00 56.93 57.38 2fr6 s PHE 124 Cb -0.15 0.67 -0.01 0.00 -0.63 0.00 0.00 43.02 42.90 2fr6 s PHE 124 CO 0.48 -1.12 -0.11 0.08 -0.05 0.00 0.00 175.22 174.49 2fr6 s VAL 125 N -3.83 0.86 -0.02 -2.49 1.01 -0.15 -4.97 120.40 110.81 2fr6 s VAL 125 Ca 0.09 -0.61 0.07 0.00 0.00 0.00 0.00 61.98 61.53 2fr6 s VAL 125 Cb -0.05 -0.75 -0.02 0.00 0.00 0.00 0.00 36.38 35.56 2fr6 s VAL 125 CO 0.03 0.14 -0.22 -0.69 0.00 0.00 0.00 175.10 174.35 2fr6 s VAL 126 N -0.46 2.41 -0.03 2.92 1.01 -1.26 -0.84 120.40 124.15 2fr6 s VAL 126 Ca 0.02 -1.01 -0.12 0.00 0.00 0.00 0.00 61.98 60.87 2fr6 s VAL 126 Cb -0.05 -1.89 0.02 0.00 0.00 0.00 0.00 36.38 34.46 2fr6 s VAL 126 CO 0.00 0.56 0.27 -0.13 0.00 0.00 0.00 175.10 175.80 2fr6 s ARG 127 N -0.72 0.57 0.76 2.72 0.52 -0.91 -4.98 118.95 116.91 2fr6 s ARG 127 Ca 0.11 -0.13 -0.11 0.00 -0.52 0.00 0.00 55.73 55.08 2fr6 s ARG 127 Cb -0.10 0.25 0.04 0.00 0.52 0.00 0.00 34.95 35.67 2fr6 s ARG 127 CO -0.00 -0.14 1.10 0.95 0.02 0.00 0.00 175.30 177.22 2fr6 s THR 128 N -1.08 3.25 0.24 0.02 -4.23 -1.26 -1.09 115.64 111.50 2fr6 s THR 128 Ca -0.11 0.41 -0.06 0.00 -1.18 0.00 0.00 61.69 60.74 2fr6 s THR 128 Cb -0.05 -3.27 0.23 0.00 1.34 0.00 0.00 72.50 70.76 2fr6 s THR 128 CO 0.03 -0.53 1.89 0.58 -0.54 0.00 0.00 174.62 176.05 2fr6 h VAL 129 N -0.89 1.26 -0.54 2.29 2.07 -1.28 -1.98 116.25 117.18 2fr6 h VAL 129 Ca -0.46 -0.57 0.03 0.00 0.82 0.00 0.00 66.70 66.53 2fr6 h VAL 129 Cb 1.26 -0.09 -0.04 0.00 -1.52 0.00 0.00 31.29 30.91 2fr6 h VAL 129 CO 0.61 0.27 0.31 -0.61 0.02 0.00 0.00 177.57 178.18 2fr6 h GLN 130 N 1.32 0.59 0.00 1.57 5.75 -1.51 0.29 115.11 123.12 2fr6 h GLN 130 Ca 0.34 -0.04 -0.06 0.00 -0.15 0.00 0.00 58.65 58.75 2fr6 h GLN 130 Cb -0.06 -0.13 -0.01 0.00 1.07 0.00 0.00 27.48 28.35 2fr6 h GLN 130 CO -0.06 0.39 -0.29 0.93 -2.65 0.00 0.00 178.83 177.14 2fr6 h GLU 131 N 0.60 0.00 0.00 1.69 5.08 -1.74 -2.47 114.58 117.74 2fr6 h GLU 131 Ca 0.22 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.58 2fr6 h GLU 131 Cb 0.06 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.31 2fr6 h GLU 131 CO -0.12 0.29 -0.44 1.28 -1.00 0.00 0.00 179.01 179.02 2fr6 n LEU 132 N -3.71 0.54 -3.09 1.33 4.77 -0.65 -4.44 117.00 111.74 2fr6 n LEU 132 Ca -0.01 0.22 -0.20 0.00 -0.03 0.00 0.00 56.01 55.98 2fr6 n LEU 132 Cb 0.40 -0.26 -0.04 0.00 -2.33 0.00 0.00 43.42 41.18 2fr6 n LEU 132 CO 0.35 0.00 -0.18 -0.11 -1.33 0.00 0.00 177.39 176.13 2fr6 n LEU 133 N -1.83 -0.63 -4.73 2.23 7.94 0.00 -5.06 117.00 114.93 2fr6 n LEU 133 Ca 0.05 -4.33 -0.34 0.00 -1.11 0.00 0.00 56.01 50.28 2fr6 n LEU 133 Cb 0.39 0.68 0.09 0.00 0.53 0.00 0.00 43.42 45.11 2fr6 n LEU 133 CO 0.34 2.04 0.79 -2.84 -1.11 0.00 0.00 177.39 176.62 2fr6 s PRO 134 N -0.65 2.24 -1.40 1.96 0.02 -1.01 -3.46 135.00 132.69 2fr6 s PRO 134 Ca 0.34 1.73 -0.14 0.00 0.02 0.00 0.00 61.00 62.95 2fr6 s PRO 134 Cb 0.17 -1.85 0.02 0.00 0.02 0.00 0.00 34.50 32.86 2fr6 s PRO 134 CO -0.15 -1.75 0.31 0.00 -0.33 0.00 0.00 177.00 175.09 2fr6 n ALA 135 N -2.64 -2.25 -1.86 -1.55 0.00 -1.26 -4.86 120.51 106.09 2fr6 n ALA 135 Ca 0.13 -0.47 -0.32 0.00 0.00 0.00 0.00 53.44 52.78 2fr6 n ALA 135 Cb 0.50 -1.64 -0.05 0.00 0.00 0.00 0.00 19.45 18.26 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 -4.04 6.77 0.26 0.00 1.04 -1.23 -5.06 113.70 111.45 2fr6 s SER 136 Ca 0.20 1.60 -0.18 0.00 0.48 0.00 0.00 55.95 58.04 2fr6 s SER 136 Cb -0.11 -2.51 -0.09 0.00 0.10 0.00 0.00 66.02 63.42 2fr6 s SER 136 CO 0.98 -0.46 0.74 0.12 0.98 0.00 0.00 173.24 175.59 2fr6 s PHE 137 N -2.39 3.55 0.00 5.02 5.36 -1.26 -5.04 117.98 123.22 2fr6 s PHE 137 Ca 0.60 1.35 0.00 0.00 -0.96 0.00 0.00 56.93 57.92 2fr6 s PHE 137 Cb -0.10 -2.61 0.00 0.00 -0.34 0.00 0.00 43.02 39.98 2fr6 s PHE 137 CO 0.23 0.24 0.00 0.41 -1.46 0.00 0.00 175.22 174.64 2fr6 n GLY 138 N 0.33 1.80 0.34 13.12 0.00 -1.26 -4.97 105.19 114.54 2fr6 n GLY 138 Ca -0.00 -0.93 0.10 0.00 0.00 0.00 0.00 46.02 45.18 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 0.73 -0.85 1.61 0.11 -1.92 -1.94 132.00 129.74 2fr6 h PRO 139 Ca 0.00 -0.04 0.20 0.00 0.11 0.00 0.00 66.00 66.27 2fr6 h PRO 139 Cb 0.00 -0.16 -0.06 0.00 0.11 0.00 0.00 31.00 30.89 2fr6 h PRO 139 CO 0.00 0.48 0.57 0.93 -0.21 0.00 0.00 178.00 179.78 2fr6 h GLU 140 N 0.75 0.30 -0.01 1.05 5.08 -1.98 0.11 114.58 119.89 2fr6 h GLU 140 Ca 0.52 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.86 2fr6 h GLU 140 Cb 0.73 -0.07 -0.00 0.00 0.50 0.00 0.00 28.75 29.91 2fr6 h GLU 140 CO -0.35 0.20 0.01 -0.44 -1.00 0.00 0.00 179.01 177.42 2fr6 h ASP 141 N 0.31 0.00 -0.42 1.42 3.32 -1.76 -2.37 116.42 116.92 2fr6 h ASP 141 Ca 0.43 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.48 2fr6 h ASP 141 Cb 1.20 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.75 2fr6 h ASP 141 CO -0.13 0.00 0.00 0.18 -1.72 0.00 0.00 179.24 177.57 2fr6 n LEU 142 N -3.98 3.92 -5.00 1.55 4.77 0.38 -5.00 117.00 113.63 2fr6 n LEU 142 Ca -0.03 -2.50 -0.22 0.00 -0.03 0.00 0.00 56.01 53.23 2fr6 n LEU 142 Cb 0.09 -0.46 0.10 0.00 -2.33 0.00 0.00 43.42 40.82 2fr6 n LEU 142 CO 0.29 0.74 0.49 -1.10 -1.33 0.00 0.00 177.39 176.48 2fr6 s GLN 143 N -1.92 1.84 0.00 3.23 -0.21 -0.89 -5.13 119.66 116.58 2fr6 s GLN 143 Ca 0.39 -1.26 0.00 0.00 0.02 0.00 0.00 55.36 54.51 2fr6 s GLN 143 Cb 0.27 -2.42 0.00 0.00 1.00 0.00 0.00 33.01 31.86 2fr6 s GLN 143 CO 0.16 -1.29 0.00 1.63 -2.12 0.00 0.00 175.29 173.68