#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1fh2 n PRO 11 N 0.00 0.23 -3.69 0.00 -0.04 -1.26 -4.73 135.00 125.50 1fh2 n PRO 11 Ca 0.00 0.20 -0.22 0.00 -0.04 0.00 0.00 63.50 63.44 1fh2 n PRO 11 Cb 0.00 -1.77 -0.18 0.00 -0.04 0.00 0.00 33.50 31.51 1fh2 n PRO 11 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 1fh2 s LEU 12 N -4.33 0.34 0.12 1.53 2.96 -1.26 -0.49 118.68 117.53 1fh2 s LEU 12 Ca 0.11 -0.11 0.07 0.00 -0.22 0.00 0.00 54.13 53.98 1fh2 s LEU 12 Cb 0.13 -0.25 -0.04 0.00 0.50 0.00 0.00 46.19 46.53 1fh2 s LEU 12 CO 0.57 -0.25 -0.18 -0.04 -1.32 0.00 0.00 176.35 175.14 1fh2 s MET 13 N 2.10 1.08 -0.00 1.98 -1.94 0.16 -4.48 119.30 118.19 1fh2 s MET 13 Ca 0.04 -1.20 0.05 0.00 -1.71 0.00 0.00 55.69 52.87 1fh2 s MET 13 Cb -0.13 -1.17 -0.01 0.00 2.01 0.00 0.00 34.83 35.53 1fh2 s MET 13 CO -0.05 0.25 -0.15 0.08 -0.01 0.00 0.00 175.02 175.14 1fh2 s VAL 14 N -1.60 1.22 -0.04 -6.03 1.01 -0.54 -0.54 120.40 113.89 1fh2 s VAL 14 Ca 0.08 -0.72 0.01 0.00 0.00 0.00 0.00 61.98 61.35 1fh2 s VAL 14 Cb -0.08 -1.03 0.01 0.00 0.00 0.00 0.00 36.38 35.29 1fh2 s VAL 14 CO 0.04 0.29 -0.06 -0.75 0.00 0.00 0.00 175.10 174.62 1fh2 s LYS 15 N -0.50 0.84 -0.07 2.72 2.20 0.15 -1.17 119.74 123.92 1fh2 s LYS 15 Ca 0.05 -0.17 0.01 0.00 -0.36 0.00 0.00 55.97 55.51 1fh2 s LYS 15 Cb -0.06 -0.82 0.02 0.00 -1.51 0.00 0.00 37.83 35.46 1fh2 s LYS 15 CO -0.00 -0.01 -0.09 0.08 -0.36 0.00 0.00 175.35 174.96 1fh2 s VAL 16 N 0.63 0.95 0.10 4.02 1.01 -0.20 -0.57 120.40 126.34 1fh2 s VAL 16 Ca -0.09 -0.35 0.09 0.00 0.00 0.00 0.00 61.98 61.63 1fh2 s VAL 16 Cb -0.12 -0.90 -0.03 0.00 0.00 0.00 0.00 36.38 35.32 1fh2 s VAL 16 CO 0.00 0.32 -0.22 -0.76 0.00 0.00 0.00 175.10 174.44 1fh2 s LEU 17 N 0.90 2.29 -0.36 3.92 1.43 -0.23 -1.09 118.68 125.54 1fh2 s LEU 17 Ca -0.11 -0.68 -0.11 0.00 -1.03 0.00 0.00 54.13 52.21 1fh2 s LEU 17 Cb -0.15 -0.97 0.02 0.00 0.03 0.00 0.00 46.19 45.12 1fh2 s LEU 17 CO 0.01 0.10 0.19 -0.62 0.23 0.00 0.00 176.35 176.26 1fh2 s ASP 18 N -1.85 5.69 0.00 2.29 -1.08 0.58 -0.76 116.67 121.53 1fh2 s ASP 18 Ca 0.08 -0.85 0.30 0.00 -0.52 0.00 0.00 52.55 51.56 1fh2 s ASP 18 Cb -0.10 -2.02 1.43 0.00 -1.46 0.00 0.00 42.92 40.77 1fh2 s ASP 18 CO 0.04 -0.33 1.99 0.00 0.52 0.00 0.00 175.17 177.40 1fh2 n ALA 19 N 5.00 2.59 -0.05 3.66 0.00 -0.31 -1.46 120.51 129.94 1fh2 n ALA 19 Ca -0.12 -0.18 -0.20 0.00 0.00 0.00 0.00 53.44 52.93 1fh2 n ALA 19 Cb 0.47 -1.44 -0.13 0.00 0.00 0.00 0.00 19.45 18.35 1fh2 n ALA 19 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1fh2 h VAL 20 N 0.16 1.08 -0.01 0.00 2.07 -1.94 -3.40 116.25 114.22 1fh2 h VAL 20 Ca 0.00 -2.31 0.00 0.00 0.82 0.00 0.00 66.70 65.21 1fh2 h VAL 20 Cb 0.31 2.63 0.00 0.00 -1.52 0.00 0.00 31.29 32.70 1fh2 h VAL 20 CO 0.00 0.56 -0.66 0.54 0.02 0.00 0.00 177.57 178.03 1fh2 n ARG 21 N -4.19 0.93 -2.78 1.57 1.74 -1.24 -4.99 116.66 107.71 1fh2 n ARG 21 Ca -0.26 -0.54 -0.09 0.00 -0.77 0.00 0.00 57.85 56.19 1fh2 n ARG 21 Cb 0.76 -1.44 0.04 0.00 -1.02 0.00 0.00 32.46 30.81 1fh2 n ARG 21 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1fh2 n GLY 22 N 1.41 0.12 3.31 -0.13 0.00 -0.53 -5.03 105.19 104.33 1fh2 n GLY 22 Ca 0.07 -0.22 -0.10 0.00 0.00 0.00 0.00 46.02 45.77 1fh2 n GLY 22 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1fh2 s SER 23 N -3.49 0.09 0.65 1.61 1.04 -1.07 -5.00 113.70 107.53 1fh2 s SER 23 Ca 0.09 -0.95 -0.18 0.00 0.48 0.00 0.00 55.95 55.39 1fh2 s SER 23 Cb -0.04 0.41 -0.01 0.00 0.10 0.00 0.00 66.02 66.48 1fh2 s SER 23 CO 0.34 -0.87 1.27 -2.65 0.98 0.00 0.00 173.24 172.31 1fh2 n PRO 24 N -0.20 1.10 -3.04 4.02 -0.02 -1.26 -0.31 135.00 135.28 1fh2 n PRO 24 Ca -0.07 0.43 -0.43 0.00 -2.02 0.00 0.00 63.50 61.42 1fh2 n PRO 24 Cb 0.63 -2.51 -0.06 0.00 -0.02 0.00 0.00 33.50 31.54 1fh2 n PRO 24 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1fh2 s ALA 25 N -1.39 3.34 -0.05 3.55 0.00 -0.25 -4.59 121.76 122.38 1fh2 s ALA 25 Ca 0.82 -1.05 -0.03 0.00 0.00 0.00 0.00 51.96 51.70 1fh2 s ALA 25 Cb -0.38 -3.35 -0.04 0.00 0.00 0.00 0.00 23.12 19.34 1fh2 s ALA 25 CO 0.41 -1.76 0.12 0.42 0.00 0.00 0.00 175.76 174.94 1fh2 s ILE 26 N 3.00 5.09 -1.25 0.00 1.01 -1.26 -4.32 121.20 123.47 1fh2 s ILE 26 Ca 0.26 -0.15 -0.02 0.00 0.00 0.00 0.00 60.65 60.74 1fh2 s ILE 26 Cb -0.13 -3.29 0.00 0.00 0.01 0.00 0.00 42.46 39.05 1fh2 s ILE 26 CO 0.20 0.45 0.27 0.59 0.00 0.00 0.00 174.94 176.44 1fh2 n ASN 27 N 1.45 -4.89 -4.74 3.58 3.02 -0.54 -4.93 115.26 108.22 1fh2 n ASN 27 Ca -0.15 -0.13 -0.38 0.00 -0.03 0.00 0.00 54.58 53.89 1fh2 n ASN 27 Cb 0.53 -3.85 -0.06 0.00 -0.61 0.00 0.00 39.78 35.79 1fh2 n ASN 27 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1fh2 s VAL 28 N -2.92 5.11 0.31 2.41 1.01 -1.26 -4.70 120.40 120.36 1fh2 s VAL 28 Ca 0.13 1.06 -0.22 0.00 0.00 0.00 0.00 61.98 62.95 1fh2 s VAL 28 Cb -0.06 -3.86 -0.09 0.00 0.00 0.00 0.00 36.38 32.37 1fh2 s VAL 28 CO 0.16 0.35 0.86 0.00 0.00 0.00 0.00 175.10 176.48 1fh2 s ALA 29 N 0.37 3.25 0.00 5.51 0.00 -1.26 -1.11 121.76 128.52 1fh2 s ALA 29 Ca 0.28 0.35 0.00 0.00 0.00 0.00 0.00 51.96 52.59 1fh2 s ALA 29 Cb -0.16 -3.03 0.00 0.00 0.00 0.00 0.00 23.12 19.93 1fh2 s ALA 29 CO 0.13 0.23 0.14 -1.33 0.00 0.00 0.00 175.76 174.92 1fh2 n MET 30 N 0.32 -0.10 0.00 0.00 2.81 0.29 -1.25 117.12 119.19 1fh2 n MET 30 Ca 0.02 -0.14 0.00 0.00 -1.81 0.00 0.00 57.70 55.77 1fh2 n MET 30 Cb 0.51 -0.61 0.00 0.00 -0.71 0.00 0.00 33.22 32.42 1fh2 n MET 30 CO 0.00 0.00 0.00 0.28 1.51 0.00 0.00 175.97 177.76 1fh2 n VAL 30 N -0.02 0.00 -5.21 2.03 0.31 -0.04 -2.44 118.33 112.96 1fh2 n VAL 30 Ca 0.00 0.00 -0.32 0.00 -0.01 0.00 0.00 64.34 64.01 1fh2 n VAL 30 Cb 0.16 0.00 -0.16 0.00 -0.91 0.00 0.00 33.84 32.93 1fh2 n VAL 30 CO 0.00 0.00 0.00 -1.00 -1.32 0.00 0.00 176.83 174.51 1fh2 s HIS 31 N 0.00 2.46 -0.10 3.52 3.76 -0.13 -1.90 115.29 122.90 1fh2 s HIS 31 Ca 0.00 -0.57 0.02 0.00 -0.15 0.00 0.00 55.06 54.36 1fh2 s HIS 31 Cb 0.00 -1.59 -0.01 0.00 1.11 0.00 0.00 32.58 32.09 1fh2 s HIS 31 CO 0.00 -0.12 -0.17 0.08 -0.85 0.00 0.00 174.74 173.68 1fh2 s VAL 32 N -0.33 2.71 0.10 -0.90 1.01 0.10 0.05 120.40 123.14 1fh2 s VAL 32 Ca 0.02 -0.81 0.09 0.00 0.00 0.00 0.00 61.98 61.28 1fh2 s VAL 32 Cb -0.12 -2.08 -0.04 0.00 0.00 0.00 0.00 36.38 34.14 1fh2 s VAL 32 CO 0.02 0.55 -0.23 -0.36 0.00 0.00 0.00 175.10 175.08 1fh2 s PHE 33 N 0.07 1.99 -0.08 5.22 0.40 0.20 -0.91 117.98 124.88 1fh2 s PHE 33 Ca -0.07 -0.40 0.03 0.00 -0.60 0.00 0.00 56.93 55.88 1fh2 s PHE 33 Cb -0.15 -1.10 -0.02 0.00 0.51 0.00 0.00 43.02 42.26 1fh2 s PHE 33 CO 0.05 0.23 -0.16 0.50 0.70 0.00 0.00 175.22 176.54 1fh2 s ARG 34 N -1.83 2.81 -0.13 0.44 3.52 0.76 -0.75 118.95 123.78 1fh2 s ARG 34 Ca 0.09 -0.73 -0.29 0.00 -0.13 0.00 0.00 55.73 54.67 1fh2 s ARG 34 Cb -0.10 -2.43 -0.03 0.00 -1.56 0.00 0.00 34.95 30.83 1fh2 s ARG 34 CO 0.04 0.44 1.42 0.21 -0.81 0.00 0.00 175.30 176.61 1fh2 s LYS 35 N -0.26 4.19 0.22 5.12 2.20 -0.18 0.20 119.74 131.24 1fh2 s LYS 35 Ca 0.01 1.86 -0.28 0.00 -0.36 0.00 0.00 55.97 57.20 1fh2 s LYS 35 Cb -0.13 -3.86 -0.09 0.00 -1.51 0.00 0.00 37.83 32.24 1fh2 s LYS 35 CO 0.03 -0.78 0.89 0.00 -0.36 0.00 0.00 175.35 175.12 1fh2 s ALA 36 N 3.77 3.37 -0.56 3.13 0.00 0.16 -4.75 121.76 126.89 1fh2 s ALA 36 Ca 0.62 0.54 -0.26 0.00 0.00 0.00 0.00 51.96 52.86 1fh2 s ALA 36 Cb -0.26 -3.13 -0.09 0.00 0.00 0.00 0.00 23.12 19.64 1fh2 s ALA 36 CO 0.21 0.23 2.44 0.00 0.00 0.00 0.00 175.76 178.64 1fh2 n ALA 37 N 1.49 0.71 0.00 0.00 0.00 -1.26 0.19 120.51 121.64 1fh2 n ALA 37 Ca -0.03 -0.92 0.00 0.00 0.00 0.00 0.00 53.44 52.49 1fh2 n ALA 37 Cb 0.48 -3.14 0.00 0.00 0.00 0.00 0.00 19.45 16.78 1fh2 n ALA 37 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1fh2 n ASP 38 N 15.68 0.00 -0.83 0.00 8.00 -1.26 -4.90 116.55 133.24 1fh2 n ASP 38 Ca 0.40 0.00 -0.07 0.00 0.71 0.00 0.00 54.79 55.83 1fh2 n ASP 38 Cb 0.50 0.00 -0.01 0.00 -0.02 0.00 0.00 41.12 41.59 1fh2 n ASP 38 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 1fh2 n ASP 39 N 0.00 -2.87 -4.78 -2.24 8.00 0.50 -5.06 116.55 110.11 1fh2 n ASP 39 Ca 0.00 0.01 -0.33 0.00 0.71 0.00 0.00 54.79 55.18 1fh2 n ASP 39 Cb 0.00 -2.08 -0.07 0.00 -0.02 0.00 0.00 41.12 38.95 1fh2 n ASP 39 CO 0.00 0.00 0.00 0.28 -0.39 0.00 0.00 177.20 177.09 1fh2 s THR 40 N -2.36 4.75 -0.07 -3.53 -1.32 -1.19 -4.80 115.64 107.12 1fh2 s THR 40 Ca 0.00 -0.36 -0.30 0.00 -1.21 0.00 0.00 61.69 59.82 1fh2 s THR 40 Cb 0.00 -3.16 -0.02 0.00 -1.51 0.00 0.00 72.50 67.81 1fh2 s THR 40 CO 0.00 0.38 1.00 0.26 -2.21 0.00 0.00 174.62 174.05 1fh2 s TRP 41 N -1.17 3.57 -0.17 9.09 0.52 -1.26 0.39 118.94 129.90 1fh2 s TRP 41 Ca 0.22 1.63 -0.05 0.00 0.02 0.00 0.00 56.10 57.92 1fh2 s TRP 41 Cb -0.12 -3.16 -0.03 0.00 -1.15 0.00 0.00 33.47 29.00 1fh2 s TRP 41 CO 0.13 -0.14 0.01 -2.00 0.02 0.00 0.00 176.95 174.96 1fh2 s GLU 42 N 1.64 3.80 0.27 4.98 2.12 0.13 -4.90 118.70 126.75 1fh2 s GLU 42 Ca 0.50 -0.44 -0.29 0.00 0.36 0.00 0.00 54.97 55.09 1fh2 s GLU 42 Cb -0.19 -3.05 -0.14 0.00 0.26 0.00 0.00 34.13 31.01 1fh2 s GLU 42 CO 0.22 0.25 1.20 -2.30 -0.54 0.00 0.00 175.26 174.08 1fh2 n PRO 43 N 3.55 1.68 0.00 4.30 -0.02 -1.26 -0.17 135.00 143.08 1fh2 n PRO 43 Ca -0.17 0.59 0.00 0.00 -2.02 0.00 0.00 63.50 61.90 1fh2 n PRO 43 Cb 0.52 -2.10 0.00 0.00 -0.02 0.00 0.00 33.50 31.90 1fh2 n PRO 43 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 1fh2 n PHE 44 N 0.84 0.00 -3.50 6.00 7.35 -0.08 -4.76 117.46 123.30 1fh2 n PHE 44 Ca 0.10 0.00 -0.09 0.00 -0.76 0.00 0.00 57.45 56.69 1fh2 n PHE 44 Cb 0.32 0.13 -0.02 0.00 0.35 0.00 0.00 39.48 40.26 1fh2 n PHE 44 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 1fh2 s ALA 45 N -1.73 -1.74 0.20 3.13 0.00 -0.95 -5.00 121.76 115.66 1fh2 s ALA 45 Ca 0.00 0.79 -0.23 0.00 0.00 0.00 0.00 51.96 52.52 1fh2 s ALA 45 Cb 0.00 0.57 0.05 0.00 0.00 0.00 0.00 23.12 23.74 1fh2 s ALA 45 CO 0.00 -0.74 0.72 -1.54 0.00 0.00 0.00 175.76 174.20 1fh2 s SER 46 N -2.59 -0.37 0.00 0.00 1.04 -1.26 0.02 113.70 110.54 1fh2 s SER 46 Ca 0.04 -0.31 0.00 0.00 0.48 0.00 0.00 55.95 56.16 1fh2 s SER 46 Cb -0.01 0.62 0.00 0.00 0.10 0.00 0.00 66.02 66.73 1fh2 s SER 46 CO -0.09 -1.10 0.00 0.61 0.98 0.00 0.00 173.24 173.64 1fh2 n GLY 47 N -0.41 -1.20 3.30 7.32 0.00 -0.80 -5.01 105.19 108.39 1fh2 n GLY 47 Ca -0.09 -0.97 -0.27 0.00 0.00 0.00 0.00 46.02 44.69 1fh2 n GLY 47 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1fh2 s LYS 48 N -1.43 1.49 0.55 1.61 1.02 -1.26 -0.55 119.74 121.17 1fh2 s LYS 48 Ca 0.00 -1.06 -0.19 0.00 0.02 0.00 0.00 55.97 54.75 1fh2 s LYS 48 Cb 0.00 -1.68 -0.06 0.00 -0.52 0.00 0.00 37.83 35.57 1fh2 s LYS 48 CO 0.00 0.42 1.09 0.95 -0.92 0.00 0.00 175.35 176.89 1fh2 s THR 49 N -0.86 3.45 0.98 2.17 -4.23 -0.27 -4.81 115.64 112.07 1fh2 s THR 49 Ca 0.09 0.84 -0.16 0.00 -1.18 0.00 0.00 61.69 61.28 1fh2 s THR 49 Cb -0.09 -3.32 0.21 0.00 1.34 0.00 0.00 72.50 70.64 1fh2 s THR 49 CO 0.03 -0.26 1.34 -0.94 -0.54 0.00 0.00 174.62 174.25 1fh2 s SER 50 N -2.09 2.97 0.64 3.99 1.04 0.38 -1.46 113.70 119.17 1fh2 s SER 50 Ca 0.69 0.21 0.35 0.00 0.48 0.00 0.00 55.95 57.68 1fh2 s SER 50 Cb -0.20 -0.20 1.96 0.00 0.10 0.00 0.00 66.02 67.68 1fh2 s SER 50 CO 0.28 -2.82 2.16 -0.33 0.98 0.00 0.00 173.24 173.51 1fh2 h GLU 51 N -1.70 0.00 -0.64 4.02 3.07 -1.94 0.15 114.58 117.54 1fh2 h GLU 51 Ca -0.44 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.42 1fh2 h GLU 51 Cb 1.22 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.13 1fh2 h GLU 51 CO 0.35 0.00 0.00 -1.13 -1.40 0.00 0.00 179.01 176.83 1fh2 n SER 52 N -3.25 4.83 -0.32 1.42 3.41 -1.26 -4.82 113.62 113.62 1fh2 n SER 52 Ca -0.01 -2.62 -0.04 0.00 -0.26 0.00 0.00 58.87 55.94 1fh2 n SER 52 Cb 0.23 -0.61 -0.02 0.00 -0.26 0.00 0.00 64.21 63.55 1fh2 n SER 52 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1fh2 n GLY 53 N 0.83 0.68 3.55 5.00 0.00 0.52 -4.84 105.19 110.93 1fh2 n GLY 53 Ca 0.24 -0.41 -0.25 0.00 0.00 0.00 0.00 46.02 45.60 1fh2 n GLY 53 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1fh2 s GLU 54 N -1.81 1.98 -0.09 1.61 2.02 -1.26 -1.03 118.70 120.12 1fh2 s GLU 54 Ca 0.00 -1.44 -0.03 0.00 0.02 0.00 0.00 54.97 53.52 1fh2 s GLU 54 Cb 0.00 -2.04 0.04 0.00 0.10 0.00 0.00 34.13 32.23 1fh2 s GLU 54 CO 0.00 0.39 0.07 -1.17 0.02 0.00 0.00 175.26 174.57 1fh2 s LEU 55 N -3.18 0.27 0.00 1.80 2.96 -0.32 -0.47 118.68 119.75 1fh2 s LEU 55 Ca 0.27 -0.20 0.03 0.00 -0.22 0.00 0.00 54.13 54.02 1fh2 s LEU 55 Cb -0.07 -0.21 -0.01 0.00 0.50 0.00 0.00 46.19 46.40 1fh2 s LEU 55 CO 0.16 -0.28 0.12 0.00 -1.32 0.00 0.00 176.35 175.02 1fh2 n HIS 56 N 5.28 0.00 -2.28 5.38 1.44 -1.26 -1.46 115.22 122.32 1fh2 n HIS 56 Ca -0.05 -1.87 -0.09 0.00 -2.01 0.00 0.00 57.72 53.70 1fh2 n HIS 56 Cb 0.50 0.03 0.00 0.00 0.12 0.00 0.00 29.99 30.63 1fh2 n HIS 56 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 1fh2 n GLY 57 N 0.03 0.04 0.10 -1.39 0.00 -1.26 -4.92 105.19 97.79 1fh2 n GLY 57 Ca -0.03 -0.47 -0.14 0.00 0.00 0.00 0.00 46.02 45.37 1fh2 n GLY 57 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1fh2 h LEU 58 N -0.16 0.38 -8.38 0.99 3.38 -1.89 -3.48 115.31 106.15 1fh2 h LEU 58 Ca -0.22 -0.39 -0.21 0.00 0.09 0.00 0.00 57.88 57.15 1fh2 h LEU 58 Cb 1.16 -0.12 -0.05 0.00 0.09 0.00 0.00 40.66 41.73 1fh2 h LEU 58 CO 0.25 1.29 -0.05 0.28 0.09 0.00 0.00 178.44 180.30 1fh2 s THR 59 N -2.73 0.00 0.33 0.22 -1.32 -1.26 -4.81 115.64 106.06 1fh2 s THR 59 Ca -0.03 -1.43 0.09 0.00 -1.21 0.00 0.00 61.69 59.11 1fh2 s THR 59 Cb 0.08 -2.73 -0.06 0.00 -1.51 0.00 0.00 72.50 68.27 1fh2 s THR 59 CO 0.87 0.00 -0.10 0.42 -2.21 0.00 0.00 174.62 173.60 1fh2 s THR 60 N -2.78 2.20 0.39 5.08 -4.23 -1.26 -4.59 115.64 110.45 1fh2 s THR 60 Ca 0.26 -2.22 0.08 0.00 -1.18 0.00 0.00 61.69 58.63 1fh2 s THR 60 Cb -0.02 -2.58 0.19 0.00 1.34 0.00 0.00 72.50 71.43 1fh2 s THR 60 CO 0.18 -0.24 1.95 -0.08 -0.54 0.00 0.00 174.62 175.89 1fh2 h GLU 61 N 2.08 0.35 -0.23 3.99 4.81 -1.99 0.19 114.58 123.78 1fh2 h GLU 61 Ca -0.42 -0.06 -0.11 0.00 -0.13 0.00 0.00 59.36 58.64 1fh2 h GLU 61 Cb 1.25 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 30.56 1fh2 h GLU 61 CO 0.69 0.39 -0.35 1.49 -0.73 0.00 0.00 179.01 180.50 1fh2 h GLU 62 N 0.34 0.49 0.00 1.92 4.57 -2.04 -3.08 114.58 116.77 1fh2 h GLU 62 Ca 0.08 -0.22 0.00 0.00 -1.18 0.00 0.00 59.36 58.04 1fh2 h GLU 62 Cb 0.26 -0.01 0.00 0.00 -0.16 0.00 0.00 28.75 28.84 1fh2 h GLU 62 CO 0.01 0.77 -0.74 1.49 -1.18 0.00 0.00 179.01 179.36 1fh2 h GLU 63 N 0.41 0.00 -4.94 1.92 4.81 -1.81 -3.40 114.58 111.57 1fh2 h GLU 63 Ca 0.05 0.00 -0.72 0.00 -0.13 0.00 0.00 59.36 58.56 1fh2 h GLU 63 Cb 0.80 0.00 -0.14 0.00 0.63 0.00 0.00 28.75 30.05 1fh2 h GLU 63 CO 0.07 0.00 1.79 0.34 -0.73 0.00 0.00 179.01 180.47 1fh2 n PHE 64 N -2.69 4.61 -2.57 0.92 7.35 -0.00 -4.94 117.46 120.13 1fh2 n PHE 64 Ca 0.01 -3.12 -0.26 0.00 -0.76 0.00 0.00 57.45 53.32 1fh2 n PHE 64 Cb 0.53 -2.33 0.02 0.00 0.35 0.00 0.00 39.48 38.05 1fh2 n PHE 64 CO 0.00 0.00 0.00 0.14 -0.76 0.00 0.00 176.76 176.14 1fh2 s VAL 65 N 2.38 4.05 0.32 -2.13 -7.23 -1.26 -4.93 120.40 111.60 1fh2 s VAL 65 Ca 0.46 -0.04 -0.27 0.00 -1.81 0.00 0.00 61.98 60.32 1fh2 s VAL 65 Cb 0.01 -3.57 -0.13 0.00 0.56 0.00 0.00 36.38 33.26 1fh2 s VAL 65 CO 0.02 -0.54 1.06 -0.62 -0.31 0.00 0.00 175.10 174.72 1fh2 n GLU 66 N -2.40 1.51 -3.67 4.82 1.02 -1.26 -4.90 120.64 115.76 1fh2 n GLU 66 Ca 0.03 0.53 0.00 0.00 -0.02 0.00 0.00 57.16 57.70 1fh2 n GLU 66 Cb 0.57 -1.98 0.00 0.00 -0.02 0.00 0.00 31.44 30.01 1fh2 n GLU 66 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1fh2 n GLY 67 N 1.12 -1.57 3.56 0.62 0.00 -1.15 -4.98 105.19 102.78 1fh2 n GLY 67 Ca 0.08 -1.12 -0.34 0.00 0.00 0.00 0.00 46.02 44.64 1fh2 n GLY 67 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1fh2 s ILE 68 N -2.77 4.22 0.07 -0.61 1.01 -1.26 -0.41 121.20 121.45 1fh2 s ILE 68 Ca 0.00 -0.24 0.08 0.00 0.00 0.00 0.00 60.65 60.49 1fh2 s ILE 68 Cb 0.00 -2.86 -0.03 0.00 0.01 0.00 0.00 42.46 39.58 1fh2 s ILE 68 CO 0.00 0.49 -0.22 -0.31 0.00 0.00 0.00 174.94 174.90 1fh2 s TYR 69 N 0.28 1.92 -0.07 3.97 1.51 0.37 -1.01 117.35 124.33 1fh2 s TYR 69 Ca -0.01 -0.39 0.04 0.00 -1.01 0.00 0.00 57.07 55.70 1fh2 s TYR 69 Cb -0.13 -1.11 -0.00 0.00 -0.11 0.00 0.00 41.96 40.60 1fh2 s TYR 69 CO 0.02 0.15 -0.20 0.21 -1.11 0.00 0.00 175.55 174.62 1fh2 s LYS 70 N -1.44 2.29 -0.20 -0.62 2.20 0.08 -1.27 119.74 120.77 1fh2 s LYS 70 Ca 0.08 -0.71 -0.03 0.00 -0.36 0.00 0.00 55.97 54.96 1fh2 s LYS 70 Cb -0.09 -1.86 -0.01 0.00 -1.51 0.00 0.00 37.83 34.36 1fh2 s LYS 70 CO 0.03 0.21 -0.08 0.08 -0.36 0.00 0.00 175.35 175.23 1fh2 s VAL 71 N 0.21 3.15 -0.20 4.02 1.01 0.70 -0.62 120.40 128.66 1fh2 s VAL 71 Ca -0.10 -0.58 -0.03 0.00 0.00 0.00 0.00 61.98 61.27 1fh2 s VAL 71 Cb -0.15 -2.41 -0.01 0.00 0.00 0.00 0.00 36.38 33.82 1fh2 s VAL 71 CO 0.05 0.45 -0.06 -0.70 0.00 0.00 0.00 175.10 174.84 1fh2 s GLU 72 N 1.29 3.37 -0.19 2.72 2.12 0.11 -0.69 118.70 127.42 1fh2 s GLU 72 Ca 0.03 -0.64 -0.04 0.00 0.36 0.00 0.00 54.97 54.68 1fh2 s GLU 72 Cb -0.14 -2.92 -0.02 0.00 0.26 0.00 0.00 34.13 31.30 1fh2 s GLU 72 CO -0.03 -0.11 -0.02 0.42 -0.54 0.00 0.00 175.26 174.97 1fh2 s ILE 73 N 1.24 3.80 -1.22 -3.70 1.01 0.90 -0.95 121.20 122.28 1fh2 s ILE 73 Ca 0.03 -0.37 -0.16 0.00 0.00 0.00 0.00 60.65 60.15 1fh2 s ILE 73 Cb -0.14 -2.71 0.12 0.00 0.01 0.00 0.00 42.46 39.74 1fh2 s ILE 73 CO -0.02 0.44 1.55 -0.62 0.00 0.00 0.00 174.94 176.28 1fh2 s ASP 74 N 0.97 6.93 0.29 3.58 2.15 -0.38 -1.40 116.67 128.80 1fh2 s ASP 74 Ca 0.01 -2.64 0.15 0.00 0.43 0.00 0.00 52.55 50.50 1fh2 s ASP 74 Cb -0.14 -2.48 0.15 0.00 -0.30 0.00 0.00 42.92 40.15 1fh2 s ASP 74 CO 0.01 -0.98 1.48 0.71 -0.17 0.00 0.00 175.17 176.23 1fh2 h THR 75 N 5.20 0.89 -0.19 1.71 1.35 -1.88 -3.23 112.91 116.77 1fh2 h THR 75 Ca 0.36 -2.15 -0.02 0.00 -0.55 0.00 0.00 66.41 64.04 1fh2 h THR 75 Cb 0.89 2.36 -0.01 0.00 -1.73 0.00 0.00 68.15 69.66 1fh2 h THR 75 CO 1.34 0.49 0.02 0.50 -0.25 0.00 0.00 175.52 177.61 1fh2 h LYS 76 N 0.00 0.32 -0.48 4.72 3.64 -1.75 -2.15 116.57 120.86 1fh2 h LYS 76 Ca -0.00 -0.09 0.02 0.00 -1.27 0.00 0.00 60.65 59.31 1fh2 h LYS 76 Cb 1.32 -0.03 -0.03 0.00 -0.41 0.00 0.00 32.23 33.09 1fh2 h LYS 76 CO 0.06 0.49 0.32 0.77 -2.27 0.00 0.00 179.45 178.82 1fh2 h SER 77 N 0.09 0.49 -0.24 4.20 0.02 -1.87 -0.98 113.55 115.25 1fh2 h SER 77 Ca 0.06 -0.01 -0.03 0.00 -0.84 0.00 0.00 61.79 60.97 1fh2 h SER 77 Cb 0.34 -0.12 -0.01 0.00 0.14 0.00 0.00 62.40 62.75 1fh2 h SER 77 CO 0.01 0.34 0.05 0.22 -1.14 0.00 0.00 176.83 176.31 1fh2 h TYR 78 N 0.57 0.41 -0.35 3.45 3.20 -1.46 -1.87 116.97 120.93 1fh2 h TYR 78 Ca 0.19 -0.05 -0.16 0.00 3.14 0.00 0.00 58.73 61.84 1fh2 h TYR 78 Cb 0.05 -0.11 -0.01 0.00 1.54 0.00 0.00 36.73 38.20 1fh2 h TYR 78 CO -0.00 0.50 -0.41 -1.49 -1.64 0.00 0.00 178.16 175.12 1fh2 h TRP 79 N 0.21 1.05 -0.82 -3.82 4.06 -1.18 -2.95 115.95 112.50 1fh2 h TRP 79 Ca 0.07 -0.32 0.03 0.00 2.06 0.00 0.00 58.89 60.73 1fh2 h TRP 79 Cb 0.30 -0.22 -0.05 0.00 -1.00 0.00 0.00 29.16 28.20 1fh2 h TRP 79 CO 0.02 1.13 0.54 0.87 -3.56 0.00 0.00 178.44 177.44 1fh2 h LYS 80 N 0.70 1.00 -0.12 0.49 1.57 -1.13 -0.49 116.57 118.59 1fh2 h LYS 80 Ca 0.05 -0.06 0.02 0.00 -1.87 0.00 0.00 60.65 58.80 1fh2 h LYS 80 Cb 0.99 -0.23 -0.01 0.00 0.08 0.00 0.00 32.23 33.07 1fh2 h LYS 80 CO 0.10 0.66 0.09 0.00 -0.57 0.00 0.00 179.45 179.73 1fh2 h ALA 81 N 1.51 2.05 -0.01 3.86 0.00 -1.16 -0.93 119.26 124.58 1fh2 h ALA 81 Ca 0.32 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.23 1fh2 h ALA 81 Cb 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.78 1fh2 h ALA 81 CO -0.09 -0.08 -0.08 1.28 0.00 0.00 0.00 179.25 180.29 1fh2 n LEU 82 N -4.51 1.52 0.00 0.00 4.77 -0.31 -4.94 117.00 113.53 1fh2 n LEU 82 Ca -0.00 -0.49 0.00 0.00 -0.03 0.00 0.00 56.01 55.49 1fh2 n LEU 82 Cb 0.17 -0.03 0.00 0.00 -2.33 0.00 0.00 43.42 41.23 1fh2 n LEU 82 CO 0.35 0.26 0.00 0.61 -1.33 0.00 0.00 177.39 177.28 1fh2 n GLY 83 N 1.24 0.38 3.25 -0.72 0.00 -0.35 -5.05 105.19 103.93 1fh2 n GLY 83 Ca 0.17 -1.00 -0.32 0.00 0.00 0.00 0.00 46.02 44.87 1fh2 n GLY 83 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1fh2 s ILE 84 N -2.00 2.15 -0.40 -0.61 1.01 -0.53 -5.02 121.20 115.80 1fh2 s ILE 84 Ca 0.00 -1.00 -0.29 0.00 0.00 0.00 0.00 60.65 59.36 1fh2 s ILE 84 Cb 0.00 -1.81 0.02 0.00 0.01 0.00 0.00 42.46 40.68 1fh2 s ILE 84 CO 0.00 0.56 1.16 -0.55 0.00 0.00 0.00 174.94 176.11 1fh2 s SER 85 N 0.21 6.72 0.43 3.58 0.15 -1.26 -3.61 113.70 119.91 1fh2 s SER 85 Ca -0.14 0.78 0.02 0.00 0.70 0.00 0.00 55.95 57.31 1fh2 s SER 85 Cb -0.17 -2.55 -0.00 0.00 -1.71 0.00 0.00 66.02 61.60 1fh2 s SER 85 CO 0.07 -1.12 0.62 -2.16 1.20 0.00 0.00 173.24 171.86 1fh2 s PRO 86 N 4.19 3.03 -0.12 5.44 0.04 -1.26 -4.92 135.00 141.40 1fh2 s PRO 86 Ca 0.49 -0.66 -0.19 0.00 0.04 0.00 0.00 61.00 60.68 1fh2 s PRO 86 Cb -0.10 -2.62 -0.26 0.00 0.04 0.00 0.00 34.50 31.55 1fh2 s PRO 86 CO 0.25 -0.22 0.57 0.35 0.04 0.00 0.00 177.00 177.99 1fh2 h PHE 87 N 0.50 0.33 -3.70 0.56 3.57 -1.46 -3.48 116.94 113.26 1fh2 h PHE 87 Ca -0.46 -0.24 -0.50 0.00 3.53 0.00 0.00 57.97 60.31 1fh2 h PHE 87 Cb 1.26 -0.01 -0.03 0.00 2.79 0.00 0.00 35.95 39.96 1fh2 h PHE 87 CO 0.44 1.45 0.15 -1.01 -2.23 0.00 0.00 178.31 177.10 1fh2 s HIS 88 N -2.42 3.53 0.17 0.41 3.76 -1.26 -4.98 115.29 114.49 1fh2 s HIS 88 Ca -0.20 1.39 -0.07 0.00 -0.15 0.00 0.00 55.06 56.03 1fh2 s HIS 88 Cb 0.03 -2.64 0.04 0.00 1.11 0.00 0.00 32.58 31.13 1fh2 s HIS 88 CO 0.74 0.20 1.49 0.93 -0.85 0.00 0.00 174.74 177.24 1fh2 h GLU 89 N 2.85 0.72 -2.53 1.40 4.39 -1.98 -3.38 114.58 116.04 1fh2 h GLU 89 Ca -0.48 -0.43 0.14 0.00 0.34 0.00 0.00 59.36 58.94 1fh2 h GLU 89 Cb 1.19 0.04 -0.05 0.00 -0.10 0.00 0.00 28.75 29.83 1fh2 h GLU 89 CO 0.65 1.05 0.51 -3.38 -1.16 0.00 0.00 179.01 176.67 1fh2 s HIS 90 N -4.14 0.00 -0.08 4.33 -3.43 -1.26 -3.75 115.29 106.95 1fh2 s HIS 90 Ca -0.09 -0.41 0.02 0.00 -0.80 0.00 0.00 55.06 53.79 1fh2 s HIS 90 Cb 0.11 0.70 -0.02 0.00 -1.43 0.00 0.00 32.58 31.94 1fh2 s HIS 90 CO 0.86 -0.98 -0.16 0.00 -2.00 0.00 0.00 174.74 172.47 1fh2 s ALA 91 N -2.61 2.57 0.02 -1.38 0.00 -0.49 -4.91 121.76 114.96 1fh2 s ALA 91 Ca 0.17 -0.95 0.09 0.00 0.00 0.00 0.00 51.96 51.27 1fh2 s ALA 91 Cb -0.02 -1.02 -0.02 0.00 0.00 0.00 0.00 23.12 22.05 1fh2 s ALA 91 CO 0.05 0.41 -0.26 -1.21 0.00 0.00 0.00 175.76 174.75 1fh2 s GLU 92 N -0.19 1.93 -0.15 0.00 2.02 -1.26 -0.07 118.70 120.97 1fh2 s GLU 92 Ca -0.00 -1.03 -0.01 0.00 0.02 0.00 0.00 54.97 53.95 1fh2 s GLU 92 Cb -0.13 -1.99 0.04 0.00 0.10 0.00 0.00 34.13 32.14 1fh2 s GLU 92 CO 0.03 0.53 -0.04 0.08 0.02 0.00 0.00 175.26 175.88 1fh2 s VAL 93 N -0.72 0.94 -0.14 2.63 1.01 0.13 -4.96 120.40 119.30 1fh2 s VAL 93 Ca 0.11 -0.49 0.02 0.00 0.00 0.00 0.00 61.98 61.61 1fh2 s VAL 93 Cb -0.10 -1.14 0.00 0.00 0.00 0.00 0.00 36.38 35.14 1fh2 s VAL 93 CO 0.01 0.13 -0.19 -0.69 0.00 0.00 0.00 175.10 174.36 1fh2 s VAL 94 N 1.71 2.38 0.06 2.92 1.01 -1.26 -0.22 120.40 127.00 1fh2 s VAL 94 Ca 0.02 -0.88 -0.14 0.00 0.00 0.00 0.00 61.98 60.98 1fh2 s VAL 94 Cb -0.15 -1.97 0.02 0.00 0.00 0.00 0.00 36.38 34.28 1fh2 s VAL 94 CO -0.07 0.54 0.32 0.72 0.00 0.00 0.00 175.10 176.60 1fh2 s PHE 95 N 0.71 -0.12 0.03 5.22 -0.71 -0.40 -5.00 117.98 117.71 1fh2 s PHE 95 Ca -0.08 -0.06 -0.24 0.00 -1.04 0.00 0.00 56.93 55.51 1fh2 s PHE 95 Cb -0.16 0.12 -0.05 0.00 -1.21 0.00 0.00 43.02 41.72 1fh2 s PHE 95 CO 0.01 -0.55 0.72 0.99 -1.34 0.00 0.00 175.22 175.05 1fh2 s THR 96 N -2.85 4.79 -0.21 -4.49 2.01 -1.26 -0.47 115.64 113.15 1fh2 s THR 96 Ca -0.03 1.52 -0.14 0.00 0.31 0.00 0.00 61.69 63.36 1fh2 s THR 96 Cb 0.00 -4.06 -0.04 0.00 0.01 0.00 0.00 72.50 68.40 1fh2 s THR 96 CO -0.05 0.38 0.29 0.00 -0.69 0.00 0.00 174.62 174.55 1fh2 s ALA 97 N -0.07 3.58 -0.06 7.40 0.00 0.46 -4.97 121.76 128.09 1fh2 s ALA 97 Ca 0.36 -0.65 0.06 0.00 0.00 0.00 0.00 51.96 51.73 1fh2 s ALA 97 Cb -0.20 -2.48 -0.01 0.00 0.00 0.00 0.00 23.12 20.43 1fh2 s ALA 97 CO 0.21 -0.20 -0.24 -0.80 0.00 0.00 0.00 175.76 174.73 1fh2 s ASN 98 N 0.96 3.13 0.12 0.00 0.01 -1.26 -2.94 114.94 114.95 1fh2 s ASN 98 Ca 0.14 -0.50 -0.00 0.00 -0.71 0.00 0.00 52.86 51.79 1fh2 s ASN 98 Cb -0.14 -0.93 -0.15 0.00 0.41 0.00 0.00 41.25 40.44 1fh2 s ASN 98 CO 0.06 0.24 1.27 0.44 -1.51 0.00 0.00 177.10 177.59 1fh2 h ASP 99 N 6.14 0.31 0.00 -1.22 3.32 -1.98 -3.32 116.42 119.67 1fh2 h ASP 99 Ca -0.30 -0.29 0.00 0.00 0.02 0.00 0.00 57.03 56.46 1fh2 h ASP 99 Cb 1.18 -0.10 0.00 0.00 0.22 0.00 0.00 39.33 40.64 1fh2 h ASP 99 CO 0.47 1.16 0.00 -1.54 -1.72 0.00 0.00 179.24 177.61 1fh2 n SER 100 N -3.57 0.00 -3.99 6.45 3.41 -1.26 -4.61 113.62 110.04 1fh2 n SER 100 Ca -0.05 0.10 0.00 0.00 -0.26 0.00 0.00 58.87 58.66 1fh2 n SER 100 Cb 0.91 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.86 1fh2 n SER 100 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1fh2 n GLY 101 N -0.45 -3.27 3.65 5.00 0.00 -1.25 -4.98 105.19 103.88 1fh2 n GLY 101 Ca 0.00 -1.11 -0.30 0.00 0.00 0.00 0.00 46.02 44.61 1fh2 n GLY 101 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1fh2 s PRO 102 N 0.00 0.65 -0.18 1.61 0.02 -1.26 -5.01 135.00 130.83 1fh2 s PRO 102 Ca 0.00 0.99 0.18 0.00 0.02 0.00 0.00 61.00 62.18 1fh2 s PRO 102 Cb 0.00 -1.73 -0.25 0.00 0.02 0.00 0.00 34.50 32.55 1fh2 s PRO 102 CO 0.00 -2.70 0.09 2.89 -0.33 0.00 0.00 177.00 176.95 1fh2 n ARG 103 N -4.22 0.80 -4.22 5.54 0.00 -0.45 -4.87 116.66 109.23 1fh2 n ARG 103 Ca 0.07 -0.02 -0.35 0.00 -0.00 0.00 0.00 57.85 57.55 1fh2 n ARG 103 Cb 0.54 -1.50 -0.10 0.00 -0.00 0.00 0.00 32.46 31.40 1fh2 n ARG 103 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.63 178.66 1fh2 s ARG 104 N -2.54 3.54 -0.19 2.89 0.52 0.54 -4.75 118.95 118.95 1fh2 s ARG 104 Ca -0.10 -0.39 -0.00 0.00 -0.52 0.00 0.00 55.73 54.72 1fh2 s ARG 104 Cb 0.06 -3.00 0.01 0.00 0.52 0.00 0.00 34.95 32.55 1fh2 s ARG 104 CO 0.81 0.44 -0.16 0.71 0.02 0.00 0.00 175.30 177.12 1fh2 s TYR 105 N -0.15 2.83 -0.25 -0.53 1.51 0.35 -1.17 117.35 119.94 1fh2 s TYR 105 Ca 0.05 -1.45 -0.06 0.00 -1.01 0.00 0.00 57.07 54.61 1fh2 s TYR 105 Cb -0.12 -1.97 -0.01 0.00 -0.11 0.00 0.00 41.96 39.75 1fh2 s TYR 105 CO 0.02 -0.73 0.03 0.99 -1.11 0.00 0.00 175.55 174.74 1fh2 s THR 106 N 1.33 3.84 -0.28 -0.71 2.01 0.22 -0.67 115.64 121.39 1fh2 s THR 106 Ca 0.05 -0.44 -0.11 0.00 0.31 0.00 0.00 61.69 61.50 1fh2 s THR 106 Cb -0.13 -2.83 -0.05 0.00 0.01 0.00 0.00 72.50 69.50 1fh2 s THR 106 CO -0.10 0.31 0.20 -0.63 -0.69 0.00 0.00 174.62 173.71 1fh2 s ILE 107 N 1.53 5.30 0.10 1.82 -1.09 0.30 -0.97 121.20 128.19 1fh2 s ILE 107 Ca 0.05 0.19 0.09 0.00 -2.23 0.00 0.00 60.65 58.75 1fh2 s ILE 107 Cb -0.15 -3.55 -0.04 0.00 -1.58 0.00 0.00 42.46 37.14 1fh2 s ILE 107 CO 0.01 0.24 -0.20 0.00 -1.23 0.00 0.00 174.94 173.75 1fh2 s ALA 108 N 1.78 2.60 -0.03 9.38 0.00 0.17 -0.68 121.76 134.99 1fh2 s ALA 108 Ca 0.08 -1.33 0.01 0.00 0.00 0.00 0.00 51.96 50.71 1fh2 s ALA 108 Cb -0.16 -0.62 0.02 0.00 0.00 0.00 0.00 23.12 22.36 1fh2 s ALA 108 CO 0.11 0.58 -0.03 0.00 0.00 0.00 0.00 175.76 176.42 1fh2 s ALA 109 N -1.07 0.48 -0.20 0.00 0.00 0.27 -1.30 121.76 119.94 1fh2 s ALA 109 Ca 0.16 -0.00 -0.02 0.00 0.00 0.00 0.00 51.96 52.10 1fh2 s ALA 109 Cb -0.10 -0.31 0.00 0.00 0.00 0.00 0.00 23.12 22.71 1fh2 s ALA 109 CO 0.08 -0.00 -0.10 -1.17 0.00 0.00 0.00 175.76 174.57 1fh2 s LEU 110 N 0.71 2.61 -0.11 0.00 2.96 0.20 -1.07 118.68 123.99 1fh2 s LEU 110 Ca -0.08 -0.48 -0.02 0.00 -0.22 0.00 0.00 54.13 53.32 1fh2 s LEU 110 Cb -0.12 -1.64 -0.03 0.00 0.50 0.00 0.00 46.19 44.90 1fh2 s LEU 110 CO -0.01 -0.01 -0.03 -0.76 -1.32 0.00 0.00 176.35 174.23 1fh2 s LEU 111 N 1.39 3.38 0.21 -0.68 1.43 0.06 -1.56 118.68 122.90 1fh2 s LEU 111 Ca 0.05 -0.00 0.04 0.00 -1.03 0.00 0.00 54.13 53.19 1fh2 s LEU 111 Cb -0.14 -1.78 -0.05 0.00 0.03 0.00 0.00 46.19 44.25 1fh2 s LEU 111 CO -0.07 0.28 -0.05 -0.44 0.23 0.00 0.00 176.35 176.31 1fh2 s SER 112 N -0.31 1.96 0.30 2.29 0.01 -0.09 -1.17 113.70 116.70 1fh2 s SER 112 Ca 0.06 -1.14 -0.00 0.00 1.31 0.00 0.00 55.95 56.17 1fh2 s SER 112 Cb -0.12 -0.02 0.50 0.00 0.21 0.00 0.00 66.02 66.58 1fh2 s SER 112 CO 0.02 -0.42 1.93 -0.65 0.41 0.00 0.00 173.24 174.53 1fh2 h PRO 113 N 2.55 1.03 -0.15 12.44 0.11 -1.99 -3.07 132.00 142.91 1fh2 h PRO 113 Ca -0.38 -0.06 0.00 0.00 0.11 0.00 0.00 66.00 65.67 1fh2 h PRO 113 Cb 1.21 -0.23 0.00 0.00 0.11 0.00 0.00 31.00 32.09 1fh2 h PRO 113 CO 0.64 0.68 0.00 0.66 -0.21 0.00 0.00 178.00 179.78 1fh2 n TYR 114 N -4.46 0.31 -3.67 0.65 4.02 -1.26 -1.09 117.16 111.66 1fh2 n TYR 114 Ca 0.12 -0.65 -0.15 0.00 -0.01 0.00 0.00 57.90 57.22 1fh2 n TYR 114 Cb 0.14 -0.11 -0.08 0.00 -0.02 0.00 0.00 39.34 39.27 1fh2 n TYR 114 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 176.86 176.30 1fh2 s SER 115 N -1.48 -0.46 0.04 7.72 0.15 -1.16 -4.97 113.70 113.54 1fh2 s SER 115 Ca 0.20 0.65 -0.01 0.00 0.70 0.00 0.00 55.95 57.49 1fh2 s SER 115 Cb 0.14 0.68 -0.03 0.00 -1.71 0.00 0.00 66.02 65.10 1fh2 s SER 115 CO 0.07 -0.37 -0.02 -0.72 1.20 0.00 0.00 173.24 173.40 1fh2 s TYR 116 N -0.61 0.42 0.00 3.44 -0.85 -1.26 -0.92 117.35 117.57 1fh2 s TYR 116 Ca -0.07 -0.87 0.05 0.00 -0.52 0.00 0.00 57.07 55.66 1fh2 s TYR 116 Cb -0.03 -0.31 -0.02 0.00 0.38 0.00 0.00 41.96 41.98 1fh2 s TYR 116 CO 0.04 -0.32 -0.17 -1.12 -1.52 0.00 0.00 175.55 172.46 1fh2 s SER 117 N -2.44 2.02 0.03 -0.18 0.01 -0.60 -4.98 113.70 107.56 1fh2 s SER 117 Ca -0.01 -0.36 0.02 0.00 1.31 0.00 0.00 55.95 56.91 1fh2 s SER 117 Cb 0.02 -0.20 -0.02 0.00 0.21 0.00 0.00 66.02 66.03 1fh2 s SER 117 CO -0.07 0.18 -0.07 0.28 0.41 0.00 0.00 173.24 173.97 1fh2 s THR 118 N -0.52 0.46 0.00 1.44 -1.32 -1.26 -0.63 115.64 113.81 1fh2 s THR 118 Ca 0.06 -0.91 0.00 0.00 -1.21 0.00 0.00 61.69 59.63 1fh2 s THR 118 Cb -0.07 -0.52 0.00 0.00 -1.51 0.00 0.00 72.50 70.40 1fh2 s THR 118 CO 0.00 -0.31 0.00 0.80 -2.21 0.00 0.00 174.62 172.90 1fh2 n MET 119 N 1.73 0.00 0.00 7.08 0.00 -0.43 -4.55 117.12 120.94 1fh2 n MET 119 Ca -0.21 0.00 0.00 0.00 -0.00 0.00 0.00 57.70 57.49 1fh2 n MET 119 Cb 0.55 -0.44 0.00 0.00 0.00 0.00 0.00 33.22 33.34 1fh2 n MET 119 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 175.97 173.60 1fh2 n THR 119 N 0.00 0.00 -5.26 1.12 5.66 -0.42 -0.71 114.28 114.67 1fh2 n THR 119 Ca 0.00 0.00 -0.32 0.00 -3.05 0.00 0.00 64.05 60.68 1fh2 n THR 119 Cb 0.24 0.00 -0.17 0.00 -1.55 0.00 0.00 70.33 68.85 1fh2 n THR 119 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1fh2 s ALA 120 N 0.00 2.16 -0.19 1.79 0.00 -1.26 -0.65 121.76 123.61 1fh2 s ALA 120 Ca 0.00 -1.04 -0.03 0.00 0.00 0.00 0.00 51.96 50.89 1fh2 s ALA 120 Cb 0.00 -0.69 -0.01 0.00 0.00 0.00 0.00 23.12 22.42 1fh2 s ALA 120 CO 0.00 0.40 -0.06 0.08 0.00 0.00 0.00 175.76 176.18 1fh2 s VAL 121 N -0.11 3.42 -0.23 0.00 1.01 -0.14 -4.98 120.40 119.37 1fh2 s VAL 121 Ca -0.05 -0.50 -0.01 0.00 0.00 0.00 0.00 61.98 61.41 1fh2 s VAL 121 Cb -0.14 -2.52 0.02 0.00 0.00 0.00 0.00 36.38 33.74 1fh2 s VAL 121 CO 0.04 0.46 -0.09 -0.69 0.00 0.00 0.00 175.10 174.83 1fh2 s VAL 122 N 0.98 2.78 0.00 2.92 1.01 -1.26 -0.61 120.40 126.22 1fh2 s VAL 122 Ca -0.00 -0.92 0.00 0.00 0.00 0.00 0.00 61.98 61.05 1fh2 s VAL 122 Cb -0.15 -2.35 0.00 0.00 0.00 0.00 0.00 36.38 33.89 1fh2 s VAL 122 CO 0.00 0.30 0.06 0.35 0.00 0.00 0.00 175.10 175.81