#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2fr5 n PRO 12 N 0.00 0.91 -0.30 3.49 -0.02 -1.26 -4.72 135.00 133.10 2fr5 n PRO 12 Ca 0.00 0.36 0.10 0.00 -2.02 0.00 0.00 63.50 61.94 2fr5 n PRO 12 Cb 0.00 -2.20 0.26 0.00 -0.02 0.00 0.00 33.50 31.54 2fr5 n PRO 12 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 2fr5 h GLU 13 N 0.48 0.51 0.00 -0.52 4.81 -2.05 -0.67 114.58 117.13 2fr5 h GLU 13 Ca -0.49 -0.03 -0.10 0.00 -0.13 0.00 0.00 59.36 58.61 2fr5 h GLU 13 Cb 1.36 -0.11 -0.01 0.00 0.63 0.00 0.00 28.75 30.61 2fr5 h GLU 13 CO 0.51 0.33 -0.47 1.12 -0.73 0.00 0.00 179.01 179.77 2fr5 h HIS 14 N 0.52 0.00 -0.15 0.92 2.07 -1.99 -1.23 115.15 115.28 2fr5 h HIS 14 Ca 0.51 0.00 -0.11 0.00 -2.85 0.00 0.00 60.37 57.92 2fr5 h HIS 14 Cb 0.85 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.83 2fr5 h HIS 14 CO -0.11 0.47 -0.33 0.28 -3.07 0.00 0.00 177.93 175.17 2fr5 h VAL 15 N 0.00 1.36 -0.59 6.12 2.07 -1.52 -1.13 116.25 122.56 2fr5 h VAL 15 Ca -0.00 -1.60 0.11 0.00 0.82 0.00 0.00 66.70 66.02 2fr5 h VAL 15 Cb 0.86 2.00 -0.08 0.00 -1.52 0.00 0.00 31.29 32.54 2fr5 h VAL 15 CO 0.06 0.48 0.14 1.56 0.02 0.00 0.00 177.57 179.83 2fr5 h GLN 16 N 0.12 0.27 -0.23 1.57 4.20 -0.96 -0.39 115.11 119.69 2fr5 h GLN 16 Ca 0.00 -0.02 -0.00 0.00 0.06 0.00 0.00 58.65 58.69 2fr5 h GLN 16 Cb 0.94 -0.06 -0.01 0.00 0.30 0.00 0.00 27.48 28.64 2fr5 h GLN 16 CO 0.07 0.18 0.14 0.00 -0.67 0.00 0.00 178.83 178.54 2fr5 h ARG 17 N 0.27 0.31 -0.38 1.46 3.08 -1.13 -1.65 114.38 116.36 2fr5 h ARG 17 Ca 0.31 -0.03 0.03 0.00 0.07 0.00 0.00 59.98 60.35 2fr5 h ARG 17 Cb 0.44 -0.06 -0.03 0.00 0.08 0.00 0.00 29.97 30.39 2fr5 h ARG 17 CO -0.38 0.26 0.19 -0.07 -1.07 0.00 0.00 179.97 178.90 2fr5 h LEU 18 N 0.28 0.29 -0.40 3.04 3.38 -0.63 -0.72 115.31 120.55 2fr5 h LEU 18 Ca 0.08 0.02 -0.05 0.00 0.09 0.00 0.00 57.88 58.02 2fr5 h LEU 18 Cb 0.03 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 40.73 2fr5 h LEU 18 CO -0.01 0.21 0.06 -0.07 0.09 0.00 0.00 178.44 178.71 2fr5 h LEU 19 N 0.39 0.65 -0.26 1.67 3.38 -0.93 -0.88 115.31 119.33 2fr5 h LEU 19 Ca 0.16 -0.27 -0.09 0.00 0.09 0.00 0.00 57.88 57.77 2fr5 h LEU 19 Cb 0.06 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.63 2fr5 h LEU 19 CO -0.10 0.75 -0.18 -0.07 0.09 0.00 0.00 178.44 178.92 2fr5 h LEU 20 N 0.52 0.61 -0.75 1.67 3.38 -1.17 -2.17 115.31 117.40 2fr5 h LEU 20 Ca 0.12 -0.44 -0.09 0.00 0.09 0.00 0.00 57.88 57.56 2fr5 h LEU 20 Cb 0.39 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.94 2fr5 h LEU 20 CO 0.01 0.92 -0.04 0.28 0.09 0.00 0.00 178.44 179.70 2fr5 h SER 21 N 0.31 0.89 -0.35 -0.43 0.02 -1.09 -0.70 113.55 112.20 2fr5 h SER 21 Ca 0.05 -0.25 -0.11 0.00 -0.84 0.00 0.00 61.79 60.64 2fr5 h SER 21 Cb 0.72 -0.24 -0.01 0.00 0.14 0.00 0.00 62.40 63.01 2fr5 h SER 21 CO 0.05 0.97 -0.21 0.77 -1.14 0.00 0.00 176.83 177.27 2fr5 h SER 22 N 0.84 0.79 -0.38 3.07 4.64 -1.13 -0.55 113.55 120.83 2fr5 h SER 22 Ca 0.15 -0.42 0.00 0.00 -0.47 0.00 0.00 61.79 61.05 2fr5 h SER 22 Cb 0.55 -0.22 -0.02 0.00 -0.31 0.00 0.00 62.40 62.40 2fr5 h SER 22 CO 0.03 1.05 0.24 -0.09 -0.87 0.00 0.00 176.83 177.18 2fr5 h ARG 23 N 0.55 0.51 -0.93 4.77 2.43 -1.23 -2.75 114.38 117.71 2fr5 h ARG 23 Ca 0.07 -0.04 0.01 0.00 -0.81 0.00 0.00 59.98 59.21 2fr5 h ARG 23 Cb 0.77 -0.11 -0.05 0.00 -0.42 0.00 0.00 29.97 30.16 2fr5 h ARG 23 CO 0.06 0.36 0.62 1.49 -1.51 0.00 0.00 179.97 180.98 2fr5 h GLU 24 N 0.50 1.23 -0.06 0.20 4.57 -1.02 -2.91 114.58 117.10 2fr5 h GLU 24 Ca 0.14 -0.08 -0.01 0.00 -1.18 0.00 0.00 59.36 58.23 2fr5 h GLU 24 Cb -0.03 -0.28 -0.00 0.00 -0.16 0.00 0.00 28.75 28.28 2fr5 h GLU 24 CO -0.03 0.82 -0.02 0.00 -1.18 0.00 0.00 179.01 178.60 2fr5 h ALA 25 N 1.34 1.87 0.00 2.92 0.00 -0.82 -1.89 119.26 122.68 2fr5 h ALA 25 Ca 0.34 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.18 2fr5 h ALA 25 Cb -0.14 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 17.61 2fr5 h ALA 25 CO -0.07 0.10 -0.07 -0.22 0.00 0.00 0.00 179.25 178.99 2fr5 h LYS 26 N 0.08 0.00 0.00 0.00 3.64 -1.29 -2.42 116.57 116.58 2fr5 h LYS 26 Ca 0.02 0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.40 2fr5 h LYS 26 Cb 0.09 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 31.91 2fr5 h LYS 26 CO 0.00 0.07 -0.02 0.87 -2.27 0.00 0.00 179.45 178.10 2fr5 h LYS 27 N 0.00 0.00 -0.01 1.90 1.57 -1.46 -2.10 116.57 116.46 2fr5 h LYS 27 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2fr5 h LYS 27 Cb 0.13 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.44 2fr5 h LYS 27 CO 0.01 0.02 -0.25 0.43 -0.57 0.00 0.00 179.45 179.09 2fr5 n SER 28 N -3.66 1.27 -4.59 0.86 7.64 -0.91 -4.97 113.62 109.26 2fr5 n SER 28 Ca -0.03 -1.08 -0.47 0.00 1.01 0.00 0.00 58.87 58.31 2fr5 n SER 28 Cb 0.11 0.16 -0.03 0.00 -1.01 0.00 0.00 64.21 63.44 2fr5 n SER 28 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2fr5 n ALA 29 N -0.41 -0.38 -3.55 -0.43 0.00 -0.79 -4.94 120.51 110.00 2fr5 n ALA 29 Ca 0.13 0.43 -0.41 0.00 0.00 0.00 0.00 53.44 53.59 2fr5 n ALA 29 Cb 0.37 -2.05 -0.08 0.00 0.00 0.00 0.00 19.45 17.69 2fr5 n ALA 29 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 177.50 177.03 2fr5 s TYR 30 N -0.48 3.47 -0.35 0.00 5.04 -0.32 -4.94 117.35 119.78 2fr5 s TYR 30 Ca 0.67 -2.05 0.15 0.00 -2.44 0.00 0.00 57.07 53.40 2fr5 s TYR 30 Cb -0.78 -3.49 0.41 0.00 0.35 0.00 0.00 41.96 38.46 2fr5 s TYR 30 CO 0.55 -0.97 0.90 0.00 -1.34 0.00 0.00 175.55 174.69 2fr5 h PRO 32 N 2.95 0.00 0.00 0.00 0.13 -1.95 0.35 132.00 133.48 2fr5 h PRO 32 Ca -0.04 0.00 -0.17 0.00 -0.87 0.00 0.00 66.00 64.91 2fr5 h PRO 32 Cb 1.11 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.22 2fr5 h PRO 32 CO 0.46 0.00 -1.04 1.88 -0.23 0.00 0.00 178.00 179.06 2fr5 h TYR 33 N 0.00 0.00 0.00 1.56 -1.99 -1.95 -3.38 116.97 111.20 2fr5 h TYR 33 Ca 0.00 0.00 -0.17 0.00 2.00 0.00 0.00 58.73 60.56 2fr5 h TYR 33 Cb 0.34 0.00 -0.03 0.00 2.00 0.00 0.00 36.73 39.05 2fr5 h TYR 33 CO 0.00 1.16 -0.89 0.66 -0.00 0.00 0.00 178.16 179.08 2fr5 h SER 34 N -1.00 0.00 -3.47 3.88 4.64 -1.97 -3.47 113.55 112.16 2fr5 h SER 34 Ca -0.26 0.00 -0.36 0.00 -0.47 0.00 0.00 61.79 60.70 2fr5 h SER 34 Cb 1.12 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.19 2fr5 h SER 34 CO -0.16 0.76 -0.47 0.54 -0.87 0.00 0.00 176.83 176.63 2fr5 n ARG 35 N -3.23 -2.16 -3.85 4.77 5.12 0.11 -4.95 116.66 112.48 2fr5 n ARG 35 Ca -0.01 0.85 -0.32 0.00 -1.93 0.00 0.00 57.85 56.44 2fr5 n ARG 35 Cb 0.86 -5.51 -0.12 0.00 -1.16 0.00 0.00 32.46 26.53 2fr5 n ARG 35 CO 0.00 0.00 0.00 0.12 -1.93 0.00 0.00 177.63 175.82 2fr5 s PHE 36 N -2.91 3.37 0.25 -1.55 5.36 -1.26 -5.08 117.98 116.17 2fr5 s PHE 36 Ca 0.03 -3.07 -0.30 0.00 -0.96 0.00 0.00 56.93 52.64 2fr5 s PHE 36 Cb -0.02 -2.94 -0.09 0.00 -0.34 0.00 0.00 43.02 39.63 2fr5 s PHE 36 CO 0.04 -0.73 1.01 -1.25 -1.46 0.00 0.00 175.22 172.83 2fr5 s PRO 37 N -0.53 4.76 -0.03 10.12 0.04 -1.26 -4.95 135.00 143.16 2fr5 s PRO 37 Ca 0.19 1.62 0.03 0.00 0.04 0.00 0.00 61.00 62.88 2fr5 s PRO 37 Cb -0.19 -3.24 0.00 0.00 0.04 0.00 0.00 34.50 31.11 2fr5 s PRO 37 CO -0.05 0.38 -0.11 0.08 0.04 0.00 0.00 177.00 177.35 2fr5 s VAL 38 N -1.15 0.91 0.19 -0.36 1.01 -1.26 -3.87 120.40 115.88 2fr5 s VAL 38 Ca 0.43 -0.44 0.10 0.00 0.00 0.00 0.00 61.98 62.07 2fr5 s VAL 38 Cb -0.28 -0.79 -0.04 0.00 0.00 0.00 0.00 36.38 35.26 2fr5 s VAL 38 CO 0.36 0.27 -0.15 -0.83 0.00 0.00 0.00 175.10 174.75 2fr5 s GLY 39 N 0.11 1.73 0.00 4.51 0.00 -0.27 -2.29 107.32 111.11 2fr5 s GLY 39 Ca -0.02 -1.56 -0.02 0.00 0.00 0.00 0.00 44.72 43.11 2fr5 s GLY 39 CO 0.01 -1.59 0.03 0.00 0.00 0.00 0.00 173.10 171.55 2fr5 s ALA 40 N -1.75 -0.06 -0.06 3.20 0.00 0.15 -0.54 121.76 122.70 2fr5 s ALA 40 Ca 0.24 -0.27 0.01 0.00 0.00 0.00 0.00 51.96 51.94 2fr5 s ALA 40 Cb -0.08 0.07 0.02 0.00 0.00 0.00 0.00 23.12 23.13 2fr5 s ALA 40 CO 0.13 -0.13 -0.06 0.00 0.00 0.00 0.00 175.76 175.70 2fr5 s ALA 41 N -1.00 0.90 -0.17 0.00 0.00 -0.28 -0.82 121.76 120.39 2fr5 s ALA 41 Ca -0.11 -0.22 -0.04 0.00 0.00 0.00 0.00 51.96 51.59 2fr5 s ALA 41 Cb -0.07 -0.59 -0.02 0.00 0.00 0.00 0.00 23.12 22.44 2fr5 s ALA 41 CO -0.00 -0.14 -0.04 -1.17 0.00 0.00 0.00 175.76 174.41 2fr5 s LEU 42 N 1.19 3.16 -0.22 0.00 2.96 0.16 -0.78 118.68 125.15 2fr5 s LEU 42 Ca -0.06 -0.19 -0.07 0.00 -0.22 0.00 0.00 54.13 53.59 2fr5 s LEU 42 Cb -0.14 -1.77 -0.03 0.00 0.50 0.00 0.00 46.19 44.75 2fr5 s LEU 42 CO -0.02 0.13 0.05 -0.22 -1.32 0.00 0.00 176.35 174.97 2fr5 s LEU 43 N 0.62 3.53 0.59 -0.68 2.96 0.10 -0.88 118.68 124.92 2fr5 s LEU 43 Ca -0.03 -0.11 -0.03 0.00 -0.22 0.00 0.00 54.13 53.75 2fr5 s LEU 43 Cb -0.14 -1.92 0.03 0.00 0.50 0.00 0.00 46.19 44.66 2fr5 s LEU 43 CO 0.02 0.06 0.86 0.42 -1.32 0.00 0.00 176.35 176.40 2fr5 s THR 44 N 1.05 3.02 0.42 3.68 -4.23 0.11 -0.49 115.64 119.21 2fr5 s THR 44 Ca 0.04 -0.35 0.14 0.00 -1.18 0.00 0.00 61.69 60.34 2fr5 s THR 44 Cb -0.14 -3.20 0.33 0.00 1.34 0.00 0.00 72.50 70.84 2fr5 s THR 44 CO 0.03 -0.18 1.96 1.23 -0.54 0.00 0.00 174.62 177.12 2fr5 h GLY 45 N -0.14 0.66 -1.34 3.99 0.00 -1.38 -1.78 103.07 103.08 2fr5 h GLY 45 Ca -0.44 -0.19 0.00 0.00 0.00 0.00 0.00 47.33 46.70 2fr5 h GLY 45 CO 0.58 0.10 0.00 2.09 0.00 0.00 0.00 176.54 179.31 2fr5 n ASP 46 N -4.48 2.15 0.00 0.19 3.85 -1.26 -4.93 116.55 112.07 2fr5 n ASP 46 Ca 0.11 -1.88 0.00 0.00 -0.71 0.00 0.00 54.79 52.31 2fr5 n ASP 46 Cb 0.41 -0.21 0.00 0.00 -1.35 0.00 0.00 41.12 39.97 2fr5 n ASP 46 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 2fr5 n GLY 47 N 1.19 0.59 3.76 6.12 0.00 -0.67 -5.07 105.19 111.11 2fr5 n GLY 47 Ca 0.15 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.77 2fr5 n GLY 47 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2fr5 s ARG 48 N -0.81 4.65 -0.14 1.61 3.52 -1.26 -4.77 118.95 121.74 2fr5 s ARG 48 Ca 0.00 1.75 -0.03 0.00 -0.13 0.00 0.00 55.73 57.32 2fr5 s ARG 48 Cb 0.00 -3.17 -0.03 0.00 -1.56 0.00 0.00 34.95 30.19 2fr5 s ARG 48 CO 0.00 0.23 -0.04 0.42 -0.81 0.00 0.00 175.30 175.10 2fr5 s ILE 49 N -1.19 3.84 -0.15 4.11 1.01 -1.26 -0.71 121.20 126.86 2fr5 s ILE 49 Ca 0.45 -0.38 -0.01 0.00 0.00 0.00 0.00 60.65 60.70 2fr5 s ILE 49 Cb -0.31 -2.66 -0.02 0.00 0.01 0.00 0.00 42.46 39.48 2fr5 s ILE 49 CO 0.39 0.51 -0.11 -0.36 0.00 0.00 0.00 174.94 175.38 2fr5 s PHE 50 N 0.17 2.86 0.23 3.97 0.40 -0.06 -4.93 117.98 120.61 2fr5 s PHE 50 Ca -0.02 -0.65 0.01 0.00 -0.60 0.00 0.00 56.93 55.67 2fr5 s PHE 50 Cb -0.14 -1.90 -0.04 0.00 0.51 0.00 0.00 43.02 41.46 2fr5 s PHE 50 CO 0.03 -0.24 0.40 -1.54 0.70 0.00 0.00 175.22 174.57 2fr5 s SER 51 N 0.51 6.35 0.20 1.36 1.04 -1.26 -0.67 113.70 121.23 2fr5 s SER 51 Ca -0.07 0.33 -0.18 0.00 0.48 0.00 0.00 55.95 56.50 2fr5 s SER 51 Cb -0.15 -1.98 0.03 0.00 0.10 0.00 0.00 66.02 64.02 2fr5 s SER 51 CO 0.04 -0.08 0.53 -0.83 0.98 0.00 0.00 173.24 173.88 2fr5 s GLY 52 N -3.47 -0.09 0.10 7.32 0.00 -0.00 -4.23 107.32 106.94 2fr5 s GLY 52 Ca 0.37 -0.22 -0.08 0.00 0.00 0.00 0.00 44.72 44.79 2fr5 s GLY 52 CO 0.30 -0.25 0.20 0.00 0.00 0.00 0.00 173.10 173.35 2fr5 s ASN 54 N -2.89 6.19 -0.26 0.00 4.22 -0.97 -3.82 114.94 117.42 2fr5 s ASN 54 Ca 0.08 2.25 -0.04 0.00 -2.14 0.00 0.00 52.86 53.01 2fr5 s ASN 54 Cb 0.05 -2.60 0.09 0.00 1.28 0.00 0.00 41.25 40.07 2fr5 s ASN 54 CO -0.09 -0.90 0.11 -0.63 -2.04 0.00 0.00 177.10 173.56 2fr5 s ILE 55 N -1.59 0.07 0.75 0.54 1.01 -0.55 -1.17 121.20 120.25 2fr5 s ILE 55 Ca 0.64 -0.70 -0.08 0.00 0.00 0.00 0.00 60.65 60.51 2fr5 s ILE 55 Cb -0.27 -0.98 0.08 0.00 0.01 0.00 0.00 42.46 41.30 2fr5 s ILE 55 CO 0.33 -0.60 1.07 -1.61 0.00 0.00 0.00 174.94 174.13 2fr5 s GLU 56 N 2.04 1.98 0.03 2.79 2.02 0.15 -1.06 118.70 126.65 2fr5 s GLU 56 Ca 0.07 -0.24 0.01 0.00 0.02 0.00 0.00 54.97 54.83 2fr5 s GLU 56 Cb -0.16 -2.11 -0.02 0.00 0.10 0.00 0.00 34.13 31.94 2fr5 s GLU 56 CO -0.28 -1.43 -0.06 1.21 0.02 0.00 0.00 175.26 174.72 2fr5 s ASN 57 N -4.58 0.63 0.33 -0.19 3.84 -1.26 -4.77 114.94 108.94 2fr5 s ASN 57 Ca 0.62 -0.45 0.09 0.00 0.21 0.00 0.00 52.86 53.33 2fr5 s ASN 57 Cb -0.10 0.04 0.84 0.00 -0.55 0.00 0.00 41.25 41.48 2fr5 s ASN 57 CO 0.46 -0.18 1.77 0.00 -2.79 0.00 0.00 177.10 176.36 2fr5 h ALA 58 N 4.81 1.80 -1.68 1.71 0.00 -1.99 -3.10 119.26 120.81 2fr5 h ALA 58 Ca -0.33 0.08 -0.60 0.00 0.00 0.00 0.00 54.91 54.06 2fr5 h ALA 58 Cb 1.20 -0.04 -0.12 0.00 0.00 0.00 0.00 17.79 18.83 2fr5 h ALA 58 CO 0.42 -0.20 0.65 0.00 0.00 0.00 0.00 179.25 180.12 2fr5 h TYR 60 N 9.52 -0.17 0.00 0.00 0.99 -1.98 0.17 116.97 125.49 2fr5 h TYR 60 Ca -0.27 0.06 0.00 0.00 2.00 0.00 0.00 58.73 60.52 2fr5 h TYR 60 Cb 1.07 0.19 0.00 0.00 1.00 0.00 0.00 36.73 38.99 2fr5 h TYR 60 CO 0.97 -0.26 0.12 -1.35 -0.00 0.00 0.00 178.16 177.64 2fr5 h PRO 61 N 0.06 0.00 -0.31 4.88 0.11 -1.92 -2.25 132.00 132.57 2fr5 h PRO 61 Ca 0.38 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.49 2fr5 h PRO 61 Cb 0.64 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.75 2fr5 h PRO 61 CO -0.68 0.00 0.00 1.28 -0.21 0.00 0.00 178.00 178.39 2fr5 n LEU 62 N -2.31 2.50 -4.68 2.35 4.77 0.05 -4.91 117.00 114.77 2fr5 n LEU 62 Ca -0.01 -1.10 -0.29 0.00 -0.03 0.00 0.00 56.01 54.57 2fr5 n LEU 62 Cb 0.16 -0.20 0.17 0.00 -2.33 0.00 0.00 43.42 41.21 2fr5 n LEU 62 CO 0.10 0.55 0.64 -0.83 -1.33 0.00 0.00 177.39 176.52 2fr5 s GLY 63 N -1.42 1.59 0.05 -0.72 0.00 -0.85 -4.60 107.32 101.37 2fr5 s GLY 63 Ca 0.35 -0.21 0.04 0.00 0.00 0.00 0.00 44.72 44.89 2fr5 s GLY 63 CO 0.27 0.36 -0.12 0.54 0.00 0.00 0.00 173.10 174.15 2fr5 s VAL 64 N -2.91 0.88 0.56 1.40 0.11 -0.22 -4.96 120.40 115.26 2fr5 s VAL 64 Ca 0.65 -1.14 -0.09 0.00 -2.93 0.00 0.00 61.98 58.47 2fr5 s VAL 64 Cb -0.19 -0.87 -0.04 0.00 -1.53 0.00 0.00 36.38 33.75 2fr5 s VAL 64 CO 0.58 -0.23 0.93 0.00 -3.33 0.00 0.00 175.10 173.05 2fr5 h ALA 66 N -0.07 0.72 -0.74 0.00 0.00 -1.83 -0.96 119.26 116.39 2fr5 h ALA 66 Ca -0.45 0.03 -0.04 0.00 0.00 0.00 0.00 54.91 54.45 2fr5 h ALA 66 Cb 1.20 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.89 2fr5 h ALA 66 CO 0.62 -0.08 0.32 0.93 0.00 0.00 0.00 179.25 181.03 2fr5 h GLU 67 N 0.52 1.09 -0.16 0.00 3.07 -1.89 -1.28 114.58 115.93 2fr5 h GLU 67 Ca 0.25 -0.18 -0.19 0.00 -0.50 0.00 0.00 59.36 58.74 2fr5 h GLU 67 Cb 0.19 -0.18 0.00 0.00 -0.84 0.00 0.00 28.75 27.92 2fr5 h GLU 67 CO -0.19 0.88 -0.67 0.00 -1.40 0.00 0.00 179.01 177.63 2fr5 h ARG 68 N 1.05 0.64 -0.50 2.33 3.08 -1.84 -1.26 114.38 117.89 2fr5 h ARG 68 Ca 0.25 -0.47 0.08 0.00 0.07 0.00 0.00 59.98 59.91 2fr5 h ARG 68 Cb 0.18 0.08 -0.07 0.00 0.08 0.00 0.00 29.97 30.24 2fr5 h ARG 68 CO -0.02 1.09 0.12 1.15 -1.07 0.00 0.00 179.97 181.23 2fr5 h THR 69 N 0.46 0.75 -0.10 2.04 2.02 -0.83 0.17 112.91 117.42 2fr5 h THR 69 Ca -0.02 -0.09 -0.01 0.00 0.77 0.00 0.00 66.41 67.06 2fr5 h THR 69 Cb 1.26 0.46 -0.00 0.00 -1.74 0.00 0.00 68.15 68.12 2fr5 h THR 69 CO 0.13 0.05 0.03 0.00 0.37 0.00 0.00 175.52 176.10 2fr5 h ALA 70 N 1.38 0.13 -0.50 6.16 0.00 -1.06 -0.98 119.26 124.38 2fr5 h ALA 70 Ca 0.25 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 55.03 2fr5 h ALA 70 Cb 0.32 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.05 2fr5 h ALA 70 CO -0.31 -0.26 0.28 0.82 0.00 0.00 0.00 179.25 179.79 2fr5 h ILE 71 N -0.04 1.17 -0.52 0.00 2.04 -1.03 -1.44 117.51 117.69 2fr5 h ILE 71 Ca 0.03 -0.43 -0.08 0.00 1.00 0.00 0.00 64.86 65.39 2fr5 h ILE 71 Cb 0.22 0.54 -0.02 0.00 -0.74 0.00 0.00 36.82 36.82 2fr5 h ILE 71 CO -0.00 0.18 0.01 1.56 0.00 0.00 0.00 178.15 179.90 2fr5 h GLN 72 N 0.67 0.87 0.04 2.37 4.20 -0.58 -0.43 115.11 122.25 2fr5 h GLN 72 Ca 0.18 -0.24 0.00 0.00 0.06 0.00 0.00 58.65 58.65 2fr5 h GLN 72 Cb 0.04 -0.10 -0.00 0.00 0.30 0.00 0.00 27.48 27.72 2fr5 h GLN 72 CO -0.03 0.86 -0.04 -0.22 -0.67 0.00 0.00 178.83 178.73 2fr5 h LYS 73 N 0.81 -0.08 -0.16 1.46 3.64 -0.92 -1.26 116.57 120.05 2fr5 h LYS 73 Ca 0.16 0.01 0.01 0.00 -1.27 0.00 0.00 60.65 59.55 2fr5 h LYS 73 Cb 0.46 0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.29 2fr5 h LYS 73 CO 0.02 -0.06 0.07 0.00 -2.27 0.00 0.00 179.45 177.21 2fr5 h ALA 74 N 0.87 0.18 -0.71 5.00 0.00 -0.72 -2.71 119.26 121.17 2fr5 h ALA 74 Ca 0.00 0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.89 2fr5 h ALA 74 Cb 0.08 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 17.83 2fr5 h ALA 74 CO -0.01 -0.37 0.34 0.82 0.00 0.00 0.00 179.25 180.04 2fr5 h ILE 75 N 0.15 1.23 0.00 0.00 2.04 -1.02 -1.27 117.51 118.65 2fr5 h ILE 75 Ca 0.06 -0.66 -0.00 0.00 1.00 0.00 0.00 64.86 65.26 2fr5 h ILE 75 Cb 0.02 0.36 -0.00 0.00 -0.74 0.00 0.00 36.82 36.46 2fr5 h ILE 75 CO -0.05 0.28 -0.01 0.77 0.00 0.00 0.00 178.15 179.13 2fr5 h SER 76 N 0.99 0.00 -0.61 1.72 4.64 -0.95 -1.12 113.55 118.22 2fr5 h SER 76 Ca 0.24 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.56 2fr5 h SER 76 Cb 0.12 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.21 2fr5 h SER 76 CO -0.03 0.01 0.00 -0.62 -0.87 0.00 0.00 176.83 175.32 2fr5 n GLU 77 N -3.18 2.78 -0.49 4.77 1.02 -0.80 -4.97 120.64 119.78 2fr5 n GLU 77 Ca -0.02 -2.47 0.00 0.00 -0.02 0.00 0.00 57.16 54.65 2fr5 n GLU 77 Cb 0.14 -1.47 0.00 0.00 -0.02 0.00 0.00 31.44 30.09 2fr5 n GLU 77 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2fr5 n GLY 78 N 1.29 0.73 3.52 0.62 0.00 -0.42 -5.06 105.19 105.86 2fr5 n GLY 78 Ca 0.20 -0.26 -0.36 0.00 0.00 0.00 0.00 46.02 45.60 2fr5 n GLY 78 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2fr5 s TYR 79 N -2.00 3.15 0.00 1.61 1.51 -0.55 -4.94 117.35 116.13 2fr5 s TYR 79 Ca 0.00 -0.19 0.00 0.00 -1.01 0.00 0.00 57.07 55.87 2fr5 s TYR 79 Cb 0.00 -2.23 0.00 0.00 -0.11 0.00 0.00 41.96 39.62 2fr5 s TYR 79 CO 0.00 -0.20 0.29 1.63 -1.11 0.00 0.00 175.55 176.16 2fr5 n LYS 80 N 4.63 -0.38 -3.37 -0.62 5.02 -1.26 -3.06 118.16 119.13 2fr5 n LYS 80 Ca -0.16 -0.29 -0.45 0.00 -2.02 0.00 0.00 58.31 55.39 2fr5 n LYS 80 Cb 0.52 -0.78 -0.06 0.00 -0.02 0.00 0.00 35.03 34.68 2fr5 n LYS 80 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 2fr5 s ASP 81 N -0.03 6.11 -0.11 4.39 2.15 -1.26 -4.97 116.67 122.95 2fr5 s ASP 81 Ca 0.00 -1.64 -0.01 0.00 0.43 0.00 0.00 52.55 51.32 2fr5 s ASP 81 Cb 0.00 -2.18 -0.03 0.00 -0.30 0.00 0.00 42.92 40.42 2fr5 s ASP 81 CO 0.00 -0.77 -0.06 -0.36 -0.17 0.00 0.00 175.17 173.81 2fr5 s PHE 82 N 1.59 2.96 -0.23 -5.34 0.08 -1.26 -0.97 117.98 114.81 2fr5 s PHE 82 Ca 0.04 -0.20 0.04 0.00 0.12 0.00 0.00 56.93 56.93 2fr5 s PHE 82 Cb -0.28 -1.84 -0.16 0.00 -0.57 0.00 0.00 43.02 40.17 2fr5 s PHE 82 CO 0.04 0.11 -0.17 0.54 -0.10 0.00 0.00 175.22 175.63 2fr5 n ARG 83 N 2.95 0.65 -3.50 0.44 5.12 0.36 -4.77 116.66 117.91 2fr5 n ARG 83 Ca -0.18 0.12 -0.14 0.00 -1.93 0.00 0.00 57.85 55.72 2fr5 n ARG 83 Cb 0.53 -1.47 -0.04 0.00 -1.16 0.00 0.00 32.46 30.31 2fr5 n ARG 83 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 2fr5 s ALA 84 N -2.47 -1.76 -0.01 7.54 0.00 -1.15 -2.12 121.76 121.78 2fr5 s ALA 84 Ca -0.28 1.12 0.00 0.00 0.00 0.00 0.00 51.96 52.80 2fr5 s ALA 84 Cb 0.08 0.15 0.02 0.00 0.00 0.00 0.00 23.12 23.36 2fr5 s ALA 84 CO 0.57 -0.50 0.02 -1.50 0.00 0.00 0.00 175.76 174.35 2fr5 s ILE 85 N -2.07 -0.02 0.03 0.00 2.07 0.04 0.03 121.20 121.28 2fr5 s ILE 85 Ca -0.04 0.12 0.03 0.00 -1.41 0.00 0.00 60.65 59.35 2fr5 s ILE 85 Cb -0.00 -0.06 -0.04 0.00 0.13 0.00 0.00 42.46 42.49 2fr5 s ILE 85 CO 0.00 0.05 -0.03 0.00 -1.91 0.00 0.00 174.94 173.06 2fr5 s ALA 86 N 0.61 3.17 -0.03 1.50 0.00 0.04 -0.38 121.76 126.67 2fr5 s ALA 86 Ca -0.05 -1.04 0.05 0.00 0.00 0.00 0.00 51.96 50.92 2fr5 s ALA 86 Cb -0.07 -1.19 -0.01 0.00 0.00 0.00 0.00 23.12 21.84 2fr5 s ALA 86 CO -0.02 0.65 -0.18 0.42 0.00 0.00 0.00 175.76 176.63 2fr5 s ILE 87 N -1.13 1.50 0.02 0.00 1.01 -0.43 -1.12 121.20 121.05 2fr5 s ILE 87 Ca 0.21 -0.78 0.06 0.00 0.00 0.00 0.00 60.65 60.14 2fr5 s ILE 87 Cb -0.11 -1.27 -0.02 0.00 0.01 0.00 0.00 42.46 41.06 2fr5 s ILE 87 CO 0.12 0.43 -0.18 -0.55 0.00 0.00 0.00 174.94 174.76 2fr5 s SER 88 N -0.15 2.12 0.35 3.58 0.15 0.30 -2.82 113.70 117.23 2fr5 s SER 88 Ca 0.00 -0.41 0.05 0.00 0.70 0.00 0.00 55.95 56.28 2fr5 s SER 88 Cb -0.10 -0.20 -0.02 0.00 -1.71 0.00 0.00 66.02 63.99 2fr5 s SER 88 CO 0.01 0.16 0.36 -0.94 1.20 0.00 0.00 173.24 174.03 2fr5 s SER 89 N -0.82 1.54 0.00 5.45 1.04 -1.26 -1.12 113.70 118.54 2fr5 s SER 89 Ca 0.06 -1.71 0.25 0.00 0.48 0.00 0.00 55.95 55.03 2fr5 s SER 89 Cb -0.08 0.61 0.96 0.00 0.10 0.00 0.00 66.02 67.61 2fr5 s SER 89 CO 0.01 -1.16 1.68 0.47 0.98 0.00 0.00 173.24 175.21 2fr5 n ASP 90 N -1.62 1.51 -4.60 7.02 9.92 -1.25 -4.48 116.55 123.04 2fr5 n ASP 90 Ca 0.06 -1.56 -0.43 0.00 -0.53 0.00 0.00 54.79 52.32 2fr5 n ASP 90 Cb 0.62 -0.04 -0.02 0.00 -0.64 0.00 0.00 41.12 41.03 2fr5 n ASP 90 CO 0.00 0.00 0.00 -0.76 0.13 0.00 0.00 177.20 176.57 2fr5 s LEU 91 N -1.83 3.58 0.30 0.64 1.43 -1.26 -4.88 118.68 116.66 2fr5 s LEU 91 Ca 0.36 0.79 0.13 0.00 -1.03 0.00 0.00 54.13 54.39 2fr5 s LEU 91 Cb 0.20 -3.53 0.42 0.00 0.03 0.00 0.00 46.19 43.31 2fr5 s LEU 91 CO 0.31 -1.44 1.63 1.56 0.23 0.00 0.00 176.35 178.64 2fr5 h GLN 92 N 10.68 0.00 -0.18 1.70 4.20 -1.98 -3.33 115.11 126.19 2fr5 h GLN 92 Ca -0.27 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.44 2fr5 h GLN 92 Cb 1.10 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.88 2fr5 h GLN 92 CO 1.09 0.55 0.00 0.39 -0.67 0.00 0.00 178.83 180.19 2fr5 n GLU 93 N -3.67 1.67 -4.59 1.46 -0.58 -1.26 -4.73 120.64 108.95 2fr5 n GLU 93 Ca -0.01 -1.62 -0.22 0.00 -0.42 0.00 0.00 57.16 54.89 2fr5 n GLU 93 Cb 0.60 -1.26 -0.15 0.00 -0.57 0.00 0.00 31.44 30.07 2fr5 n GLU 93 CO 0.00 0.00 0.00 -1.21 -0.48 0.00 0.00 177.13 175.44 2fr5 s GLU 94 N -1.00 1.11 0.21 3.49 2.02 -1.25 -5.12 118.70 118.15 2fr5 s GLU 94 Ca 0.19 -0.58 -0.30 0.00 0.02 0.00 0.00 54.97 54.30 2fr5 s GLU 94 Cb 0.11 -1.09 -0.09 0.00 0.10 0.00 0.00 34.13 33.16 2fr5 s GLU 94 CO 0.16 0.29 1.42 -0.06 0.02 0.00 0.00 175.26 177.09 2fr5 s PHE 95 N -0.46 3.11 -0.20 1.61 0.40 -1.26 -4.59 117.98 116.59 2fr5 s PHE 95 Ca 0.05 1.01 -0.27 0.00 -0.60 0.00 0.00 56.93 57.11 2fr5 s PHE 95 Cb -0.06 -3.77 -0.00 0.00 0.51 0.00 0.00 43.02 39.70 2fr5 s PHE 95 CO -0.00 -2.55 0.93 -1.50 0.70 0.00 0.00 175.22 172.81 2fr5 s ILE 96 N 0.32 4.78 -0.02 0.64 1.10 -0.72 -4.89 121.20 122.42 2fr5 s ILE 96 Ca 0.61 1.83 0.01 0.00 -0.51 0.00 0.00 60.65 62.58 2fr5 s ILE 96 Cb -0.40 -4.22 -0.04 0.00 0.15 0.00 0.00 42.46 37.95 2fr5 s ILE 96 CO 0.39 -0.08 0.02 -0.55 -2.11 0.00 0.00 174.94 172.61 2fr5 s SER 97 N 1.21 5.24 0.27 4.50 0.15 -1.26 -4.09 113.70 119.72 2fr5 s SER 97 Ca 0.41 0.05 -0.29 0.00 0.70 0.00 0.00 55.95 56.81 2fr5 s SER 97 Cb -0.16 -1.41 -0.09 0.00 -1.71 0.00 0.00 66.02 62.64 2fr5 s SER 97 CO 0.10 0.30 1.23 -2.16 1.20 0.00 0.00 173.24 173.90 2fr5 s PRO 98 N -1.48 4.47 0.98 5.44 0.04 -1.26 -5.02 135.00 138.18 2fr5 s PRO 98 Ca 0.19 2.01 -0.11 0.00 0.04 0.00 0.00 61.00 63.13 2fr5 s PRO 98 Cb -0.12 -3.15 0.18 0.00 0.04 0.00 0.00 34.50 31.45 2fr5 s PRO 98 CO 0.10 -0.06 1.09 0.00 0.04 0.00 0.00 177.00 178.17 2fr5 h GLY 100 N -1.99 0.90 0.88 0.00 0.00 -1.97 -1.41 103.07 99.49 2fr5 h GLY 100 Ca -0.51 -0.30 -0.03 0.00 0.00 0.00 0.00 47.33 46.50 2fr5 h GLY 100 CO 0.48 0.25 0.07 0.00 0.00 0.00 0.00 176.54 177.34 2fr5 h ALA 101 N 1.62 0.36 -0.64 3.60 0.00 -2.00 -1.38 119.26 120.81 2fr5 h ALA 101 Ca 0.28 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 55.03 2fr5 h ALA 101 Cb 0.16 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.81 2fr5 h ALA 101 CO -0.08 0.01 0.42 0.00 0.00 0.00 0.00 179.25 179.60 2fr5 h ARG 103 N 0.87 1.14 -0.45 0.00 3.08 -1.00 0.44 114.38 118.47 2fr5 h ARG 103 Ca 0.24 -0.07 -0.12 0.00 0.07 0.00 0.00 59.98 60.09 2fr5 h ARG 103 Cb -0.09 -0.26 -0.01 0.00 0.08 0.00 0.00 29.97 29.69 2fr5 h ARG 103 CO -0.05 0.75 -0.20 0.37 -1.07 0.00 0.00 179.97 179.78 2fr5 h GLN 104 N 1.17 0.92 -0.50 0.04 5.75 -0.74 -0.12 115.11 121.64 2fr5 h GLN 104 Ca 0.43 -0.39 -0.06 0.00 -0.15 0.00 0.00 58.65 58.48 2fr5 h GLN 104 Cb 0.17 -0.03 -0.02 0.00 1.07 0.00 0.00 27.48 28.67 2fr5 h GLN 104 CO -0.17 1.05 0.09 0.28 -2.65 0.00 0.00 178.83 177.43 2fr5 h VAL 105 N 0.76 1.25 -0.60 2.39 2.07 -0.97 -2.35 116.25 118.79 2fr5 h VAL 105 Ca 0.10 -0.91 0.08 0.00 0.82 0.00 0.00 66.70 66.79 2fr5 h VAL 105 Cb 0.76 0.88 -0.06 0.00 -1.52 0.00 0.00 31.29 31.35 2fr5 h VAL 105 CO 0.06 0.33 0.27 0.24 0.02 0.00 0.00 177.57 178.49 2fr5 h MET 106 N 0.70 0.47 0.00 1.57 2.86 -0.68 -2.50 114.93 117.35 2fr5 h MET 106 Ca 0.15 -0.03 -0.05 0.00 -2.06 0.00 0.00 59.70 57.72 2fr5 h MET 106 Cb 0.38 -0.11 -0.01 0.00 0.06 0.00 0.00 31.60 31.93 2fr5 h MET 106 CO 0.01 0.31 -0.23 -0.09 1.06 0.00 0.00 176.91 177.97 2fr5 h ARG 107 N 0.49 0.00 -0.34 1.72 1.12 -0.75 -1.49 114.38 115.12 2fr5 h ARG 107 Ca 0.29 0.00 0.10 0.00 -1.11 0.00 0.00 59.98 59.26 2fr5 h ARG 107 Cb 0.30 0.00 -0.01 0.00 -0.01 0.00 0.00 29.97 30.24 2fr5 h ARG 107 CO -0.25 0.23 0.25 1.49 -3.11 0.00 0.00 179.97 178.58 2fr5 h GLU 108 N 0.00 0.00 -0.35 0.20 4.57 -0.95 -1.24 114.58 116.81 2fr5 h GLU 108 Ca -0.00 0.00 -0.01 0.00 -1.18 0.00 0.00 59.36 58.17 2fr5 h GLU 108 Cb 0.46 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 29.05 2fr5 h GLU 108 CO 0.03 0.00 0.00 1.19 -1.18 0.00 0.00 179.01 179.05 2fr5 n PHE 109 N -4.40 1.26 0.00 0.92 3.01 -0.57 -5.01 117.46 112.67 2fr5 n PHE 109 Ca 0.05 -0.86 0.00 0.00 1.01 0.00 0.00 57.45 57.66 2fr5 n PHE 109 Cb 0.43 -0.37 0.00 0.00 -0.01 0.00 0.00 39.48 39.52 2fr5 n PHE 109 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2fr5 n GLY 110 N -0.23 3.48 0.00 1.37 0.00 -0.47 -4.72 105.19 104.62 2fr5 n GLY 110 Ca 0.23 -1.83 0.10 0.00 0.00 0.00 0.00 46.02 44.53 2fr5 n GLY 110 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2fr5 n THR 111 N -1.15 0.00 -2.40 2.61 -2.24 -1.26 -4.07 114.28 105.77 2fr5 n THR 111 Ca 0.00 -0.22 -0.37 0.00 -2.27 0.00 0.00 64.05 61.19 2fr5 n THR 111 Cb 0.00 0.57 0.02 0.00 -2.10 0.00 0.00 70.33 68.81 2fr5 n THR 111 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 2fr5 n ASP 112 N -1.81 6.65 -4.10 3.42 10.43 -1.26 -1.46 116.55 128.43 2fr5 n ASP 112 Ca 0.00 -3.75 -0.09 0.00 2.57 0.00 0.00 54.79 53.53 2fr5 n ASP 112 Cb 0.42 -0.95 -0.10 0.00 1.84 0.00 0.00 41.12 42.34 2fr5 n ASP 112 CO 0.00 0.00 0.00 -1.66 -1.07 0.00 0.00 177.20 174.47 2fr5 s TRP 113 N -4.01 0.67 -0.14 1.24 1.48 -1.26 -5.00 118.94 111.92 2fr5 s TRP 113 Ca 0.46 -1.10 -0.07 0.00 -1.06 0.00 0.00 56.10 54.33 2fr5 s TRP 113 Cb 0.32 -0.39 -0.04 0.00 -1.16 0.00 0.00 33.47 32.21 2fr5 s TRP 113 CO -0.25 -0.50 0.11 0.00 -4.06 0.00 0.00 176.95 172.26 2fr5 s ALA 114 N -3.99 3.72 -0.21 2.67 0.00 -0.90 -1.58 121.76 121.47 2fr5 s ALA 114 Ca 0.17 -0.68 -0.04 0.00 0.00 0.00 0.00 51.96 51.41 2fr5 s ALA 114 Cb 0.07 -1.96 -0.01 0.00 0.00 0.00 0.00 23.12 21.22 2fr5 s ALA 114 CO -0.03 0.46 -0.04 0.08 0.00 0.00 0.00 175.76 176.23 2fr5 s VAL 115 N -0.53 3.40 -0.39 0.00 1.01 0.74 -0.78 120.40 123.85 2fr5 s VAL 115 Ca 0.12 -0.49 -0.16 0.00 0.00 0.00 0.00 61.98 61.45 2fr5 s VAL 115 Cb -0.12 -2.54 0.01 0.00 0.00 0.00 0.00 36.38 33.73 2fr5 s VAL 115 CO 0.02 0.43 0.37 -0.31 0.00 0.00 0.00 175.10 175.61 2fr5 s TYR 116 N 1.36 3.20 -0.40 5.22 2.02 0.49 -1.82 117.35 127.42 2fr5 s TYR 116 Ca 0.04 -0.31 -0.13 0.00 -0.37 0.00 0.00 57.07 56.30 2fr5 s TYR 116 Cb -0.14 -2.73 0.03 0.00 -0.40 0.00 0.00 41.96 38.71 2fr5 s TYR 116 CO -0.02 -0.58 0.27 -1.64 -1.57 0.00 0.00 175.55 172.01 2fr5 s MET 117 N 1.97 2.89 0.35 -0.62 -1.94 0.18 -1.31 119.30 120.82 2fr5 s MET 117 Ca 0.10 -1.09 0.08 0.00 -1.71 0.00 0.00 55.69 53.06 2fr5 s MET 117 Cb -0.17 -3.89 -0.03 0.00 2.01 0.00 0.00 34.83 32.75 2fr5 s MET 117 CO 0.12 -0.76 0.28 0.95 -0.01 0.00 0.00 175.02 175.59 2fr5 s THR 118 N 1.61 3.33 0.26 2.05 -4.23 -1.13 -1.01 115.64 116.53 2fr5 s THR 118 Ca 0.04 -1.42 0.10 0.00 -1.18 0.00 0.00 61.69 59.22 2fr5 s THR 118 Cb -0.20 -3.13 -0.04 0.00 1.34 0.00 0.00 72.50 70.47 2fr5 s THR 118 CO 0.08 -0.15 -0.03 -0.54 -0.54 0.00 0.00 174.62 173.44 2fr5 s LYS 119 N -3.99 2.21 0.57 3.99 1.02 -0.26 -1.75 119.74 121.54 2fr5 s LYS 119 Ca 0.41 -1.43 0.29 0.00 0.02 0.00 0.00 55.97 55.26 2fr5 s LYS 119 Cb -0.05 -2.13 1.48 0.00 -0.52 0.00 0.00 37.83 36.61 2fr5 s LYS 119 CO 0.26 0.37 1.93 -1.35 -0.92 0.00 0.00 175.35 175.64 2fr5 h PRO 120 N 2.05 0.00 0.00 -1.68 0.11 -1.79 -1.37 132.00 129.32 2fr5 h PRO 120 Ca -0.44 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.67 2fr5 h PRO 120 Cb 1.24 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.35 2fr5 h PRO 120 CO 0.60 0.00 0.00 -0.40 -0.21 0.00 0.00 178.00 177.99 2fr5 n ASP 121 N -3.90 0.00 0.00 -2.05 3.85 -1.26 -4.87 116.55 108.32 2fr5 n ASP 121 Ca 0.09 -0.94 0.00 0.00 -0.71 0.00 0.00 54.79 53.24 2fr5 n ASP 121 Cb 0.67 0.00 0.00 0.00 -1.35 0.00 0.00 41.12 40.44 2fr5 n ASP 121 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 2fr5 n GLY 122 N 0.64 0.87 3.82 6.12 0.00 -0.52 -5.06 105.19 111.07 2fr5 n GLY 122 Ca 0.18 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.88 2fr5 n GLY 122 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2fr5 s THR 123 N -3.21 4.08 0.20 2.61 -4.23 -1.26 -4.88 115.64 108.95 2fr5 s THR 123 Ca 0.00 0.80 -0.22 0.00 -1.18 0.00 0.00 61.69 61.09 2fr5 s THR 123 Cb 0.00 -3.47 0.05 0.00 1.34 0.00 0.00 72.50 70.42 2fr5 s THR 123 CO 0.00 -0.76 0.62 0.72 -0.54 0.00 0.00 174.62 174.66 2fr5 s PHE 124 N -2.83 -0.39 -0.05 3.99 -0.12 -1.26 -1.10 117.98 116.22 2fr5 s PHE 124 Ca 0.60 0.10 0.06 0.00 -0.05 0.00 0.00 56.93 57.63 2fr5 s PHE 124 Cb -0.14 0.58 -0.01 0.00 -0.63 0.00 0.00 43.02 42.82 2fr5 s PHE 124 CO 0.47 -0.96 -0.22 0.08 -0.05 0.00 0.00 175.22 174.53 2fr5 s VAL 125 N -3.81 1.84 -0.15 -2.49 1.01 -0.18 -4.96 120.40 111.65 2fr5 s VAL 125 Ca 0.05 -0.96 -0.03 0.00 0.00 0.00 0.00 61.98 61.04 2fr5 s VAL 125 Cb -0.02 -1.55 -0.03 0.00 0.00 0.00 0.00 36.38 34.78 2fr5 s VAL 125 CO -0.06 0.52 -0.04 -0.69 0.00 0.00 0.00 175.10 174.82 2fr5 s VAL 126 N -0.19 3.84 0.05 2.92 1.01 -1.26 -0.65 120.40 126.12 2fr5 s VAL 126 Ca -0.01 -0.38 0.02 0.00 0.00 0.00 0.00 61.98 61.61 2fr5 s VAL 126 Cb -0.12 -2.68 -0.03 0.00 0.00 0.00 0.00 36.38 33.55 2fr5 s VAL 126 CO 0.02 0.50 -0.07 -0.13 0.00 0.00 0.00 175.10 175.41 2fr5 s ARG 127 N 0.36 0.55 0.63 2.72 1.81 -0.76 -4.97 118.95 119.28 2fr5 s ARG 127 Ca -0.05 -0.81 -0.12 0.00 -1.72 0.00 0.00 55.73 53.04 2fr5 s ARG 127 Cb -0.14 -0.26 -0.03 0.00 -0.45 0.00 0.00 34.95 34.07 2fr5 s ARG 127 CO 0.03 0.04 1.03 0.95 -0.68 0.00 0.00 175.30 176.67 2fr5 s THR 128 N -1.63 4.50 0.25 0.02 -4.23 -1.26 -0.18 115.64 113.10 2fr5 s THR 128 Ca -0.08 0.86 -0.04 0.00 -1.18 0.00 0.00 61.69 61.25 2fr5 s THR 128 Cb -0.08 -3.73 0.21 0.00 1.34 0.00 0.00 72.50 70.24 2fr5 s THR 128 CO -0.00 -1.01 1.79 0.58 -0.54 0.00 0.00 174.62 175.44 2fr5 h VAL 129 N -0.26 0.86 -0.60 2.29 2.07 -1.30 -0.88 116.25 118.43 2fr5 h VAL 129 Ca -0.44 -0.25 0.07 0.00 0.82 0.00 0.00 66.70 66.90 2fr5 h VAL 129 Cb 1.20 0.07 -0.06 0.00 -1.52 0.00 0.00 31.29 30.98 2fr5 h VAL 129 CO 0.61 0.13 0.29 -0.61 0.02 0.00 0.00 177.57 178.00 2fr5 h GLN 130 N 0.72 0.51 -0.42 1.57 4.15 -1.54 -0.35 115.11 119.75 2fr5 h GLN 130 Ca 0.40 -0.03 -0.10 0.00 0.77 0.00 0.00 58.65 59.69 2fr5 h GLN 130 Cb 0.43 -0.12 -0.02 0.00 0.21 0.00 0.00 27.48 27.99 2fr5 h GLN 130 CO -0.28 0.34 -0.14 0.93 -1.93 0.00 0.00 178.83 177.75 2fr5 h GLU 131 N 0.53 0.78 0.00 1.69 5.08 -1.70 -2.78 114.58 118.18 2fr5 h GLU 131 Ca 0.28 -0.27 0.00 0.00 -1.00 0.00 0.00 59.36 58.37 2fr5 h GLU 131 Cb 0.25 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.45 2fr5 h GLU 131 CO -0.22 0.88 0.00 -0.07 -1.00 0.00 0.00 179.01 178.60 2fr5 h LEU 132 N 0.70 0.00 -6.02 1.33 3.38 -0.57 -3.37 115.31 110.76 2fr5 h LEU 132 Ca 0.11 0.00 -0.56 0.00 0.09 0.00 0.00 57.88 57.52 2fr5 h LEU 132 Cb 0.63 0.00 -0.39 0.00 0.09 0.00 0.00 40.66 40.99 2fr5 h LEU 132 CO 0.04 0.00 -1.06 -0.11 0.09 0.00 0.00 178.44 177.40 2fr5 n LEU 133 N -2.98 0.56 -4.75 1.67 7.94 -0.20 -5.05 117.00 114.18 2fr5 n LEU 133 Ca 0.03 -4.78 -0.35 0.00 -1.11 0.00 0.00 56.01 49.80 2fr5 n LEU 133 Cb 0.44 0.51 0.05 0.00 0.53 0.00 0.00 43.42 44.95 2fr5 n LEU 133 CO 0.31 2.08 0.81 -2.84 -1.11 0.00 0.00 177.39 176.64 2fr5 s PRO 134 N -1.36 2.79 -1.49 1.96 0.02 -1.07 -3.08 135.00 132.77 2fr5 s PRO 134 Ca 0.36 1.74 -0.08 0.00 0.02 0.00 0.00 61.00 63.04 2fr5 s PRO 134 Cb 0.17 -1.92 0.06 0.00 0.02 0.00 0.00 34.50 32.84 2fr5 s PRO 134 CO -0.10 -1.33 0.68 0.00 -0.33 0.00 0.00 177.00 175.92 2fr5 n ALA 135 N -1.94 -1.66 -1.81 -1.55 0.00 -1.26 -4.82 120.51 107.47 2fr5 n ALA 135 Ca 0.13 -0.08 -0.41 0.00 0.00 0.00 0.00 53.44 53.08 2fr5 n ALA 135 Cb 0.50 -2.73 -0.02 0.00 0.00 0.00 0.00 19.45 17.20 2fr5 n ALA 135 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 2fr5 s SER 136 N -3.86 6.57 0.53 0.00 1.04 -1.18 -5.00 113.70 111.80 2fr5 s SER 136 Ca 0.34 2.81 -0.21 0.00 0.48 0.00 0.00 55.95 59.36 2fr5 s SER 136 Cb -0.18 -2.64 -0.05 0.00 0.10 0.00 0.00 66.02 63.25 2fr5 s SER 136 CO 0.87 -0.73 1.26 0.12 0.98 0.00 0.00 173.24 175.75 2fr5 s PHE 137 N -0.61 2.50 0.00 5.02 5.36 -1.26 -5.01 117.98 123.98 2fr5 s PHE 137 Ca 0.55 1.46 0.00 0.00 -0.96 0.00 0.00 56.93 57.98 2fr5 s PHE 137 Cb -0.43 -3.60 0.00 0.00 -0.34 0.00 0.00 43.02 38.65 2fr5 s PHE 137 CO 0.52 -2.30 0.00 0.41 -1.46 0.00 0.00 175.22 172.38 2fr5 n GLY 138 N 0.59 0.95 0.47 13.12 0.00 -1.26 -4.99 105.19 114.08 2fr5 n GLY 138 Ca 0.10 -0.84 0.29 0.00 0.00 0.00 0.00 46.02 45.58 2fr5 n GLY 138 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 2fr5 h PRO 139 N 0.00 0.16 -0.03 1.61 0.11 -1.94 -0.30 132.00 131.60 2fr5 h PRO 139 Ca 0.00 -0.01 -0.00 0.00 0.11 0.00 0.00 66.00 66.10 2fr5 h PRO 139 Cb 0.00 -0.04 -0.00 0.00 0.11 0.00 0.00 31.00 31.07 2fr5 h PRO 139 CO 0.00 0.10 0.02 1.05 -0.21 0.00 0.00 178.00 178.97 2fr5 h GLU 140 N 0.16 0.05 0.00 1.05 4.11 -1.95 -1.76 114.58 116.24 2fr5 h GLU 140 Ca 0.56 -0.00 -0.01 0.00 0.07 0.00 0.00 59.36 59.98 2fr5 h GLU 140 Cb 1.89 -0.01 -0.00 0.00 0.50 0.00 0.00 28.75 31.13 2fr5 h GLU 140 CO -0.13 0.03 -0.07 -0.44 0.07 0.00 0.00 179.01 178.47 2fr5 h ASP 141 N 0.05 0.00 -0.49 3.06 3.32 -1.44 -1.14 116.42 119.78 2fr5 h ASP 141 Ca 0.01 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.06 2fr5 h ASP 141 Cb -0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 2fr5 h ASP 141 CO -0.00 0.07 0.00 0.18 -1.72 0.00 0.00 179.24 177.76 2fr5 n LEU 142 N -4.09 3.89 -3.73 1.55 4.77 -0.71 -4.96 117.00 113.72 2fr5 n LEU 142 Ca -0.03 -2.33 -0.26 0.00 -0.03 0.00 0.00 56.01 53.36 2fr5 n LEU 142 Cb 0.15 -0.44 0.05 0.00 -2.33 0.00 0.00 43.42 40.85 2fr5 n LEU 142 CO 0.32 0.79 0.16 0.00 -1.33 0.00 0.00 177.39 177.32 2fr5 n GLN 143 N 0.71 -6.63 0.00 3.23 6.02 -0.43 -4.89 117.38 115.38 2fr5 n GLN 143 Ca 0.20 0.72 0.12 0.00 -0.01 0.00 0.00 57.00 58.03 2fr5 n GLN 143 Cb 0.70 -5.67 0.27 0.00 1.02 0.00 0.00 30.24 26.57 2fr5 n GLN 143 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 2fr5 n LYS 144 N -4.76 0.77 -3.38 -1.09 4.76 -0.93 -4.72 118.16 108.81 2fr5 n LYS 144 Ca -0.02 -0.50 -0.44 0.00 -2.87 0.00 0.00 58.31 54.47 2fr5 n LYS 144 Cb 0.56 -1.49 -0.07 0.00 -1.84 0.00 0.00 35.03 32.20 2fr5 n LYS 144 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 2fr5 s ILE 145 N -2.58 5.04 0.00 -0.18 1.01 -1.26 -4.99 121.20 118.24 2fr5 s ILE 145 Ca 0.21 -1.37 0.00 0.00 0.00 0.00 0.00 60.65 59.49 2fr5 s ILE 145 Cb 0.19 -4.15 0.00 0.00 0.01 0.00 0.00 42.46 38.51 2fr5 s ILE 145 CO 0.57 -0.73 0.00 0.00 0.00 0.00 0.00 174.94 174.78