#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1fhb s GLU -4 N 0.00 0.42 0.36 -2.82 1.03 -1.26 -5.14 118.70 111.29 1fhb s GLU -4 Ca 0.00 -0.35 -0.28 0.00 0.03 0.00 0.00 54.97 54.37 1fhb s GLU -4 Cb 0.00 0.17 -0.10 0.00 -0.80 0.00 0.00 34.13 33.41 1fhb s GLU -4 CO 0.00 -0.09 1.30 0.12 -1.33 0.00 0.00 175.26 175.25 1fhb s PHE -3 N -1.21 2.98 -0.10 4.83 2.19 -1.26 -5.05 117.98 120.36 1fhb s PHE -3 Ca -0.13 1.42 -0.01 0.00 0.33 0.00 0.00 56.93 58.54 1fhb s PHE -3 Cb -0.07 -3.66 -0.03 0.00 -1.31 0.00 0.00 43.02 37.95 1fhb s PHE -3 CO 0.01 -1.89 -0.04 -1.59 1.83 0.00 0.00 175.22 173.54 1fhb s LYS -2 N -1.96 3.12 0.72 10.12 -2.85 -1.26 -5.11 119.74 122.51 1fhb s LYS -2 Ca 0.52 -0.51 -0.16 0.00 -1.00 0.00 0.00 55.97 54.82 1fhb s LYS -2 Cb -0.39 -2.75 0.01 0.00 -2.06 0.00 0.00 37.83 32.64 1fhb s LYS -2 CO 0.51 0.53 1.01 0.00 0.10 0.00 0.00 175.35 177.50 1fhb n ALA -1 N 2.65 -0.09 -2.08 0.59 0.00 -1.26 -4.84 120.51 115.48 1fhb n ALA -1 Ca -0.18 -0.17 0.00 0.00 0.00 0.00 0.00 53.44 53.09 1fhb n ALA -1 Cb 0.53 -2.14 0.00 0.00 0.00 0.00 0.00 19.45 17.84 1fhb n ALA -1 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1fhb n GLY 1 N 1.05 1.44 2.06 0.00 0.00 -1.26 -4.92 105.19 103.56 1fhb n GLY 1 Ca 0.13 -1.99 -0.18 0.00 0.00 0.00 0.00 46.02 43.97 1fhb n GLY 1 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1fhb n SER 2 N -0.93 3.84 0.00 1.61 2.88 -1.26 -4.95 113.62 114.81 1fhb n SER 2 Ca 0.00 -3.37 0.00 0.00 -1.33 0.00 0.00 58.87 54.17 1fhb n SER 2 Cb 0.00 -0.79 0.00 0.00 -0.75 0.00 0.00 64.21 62.67 1fhb n SER 2 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1fhb n ALA 3 N -0.81 0.00 -1.00 -1.46 0.00 -1.26 -4.68 120.51 111.30 1fhb n ALA 3 Ca 0.51 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.95 1fhb n ALA 3 Cb 1.51 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.96 1fhb n ALA 3 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 1fhb n LYS 4 N 0.00 -0.33 0.00 0.00 4.81 -1.26 -3.87 118.16 117.51 1fhb n LYS 4 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 1fhb n LYS 4 Cb 0.00 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.05 1fhb n LYS 4 CO 0.00 0.00 0.00 1.17 1.17 0.00 0.00 177.40 179.74 1fhb n LYS 5 N -1.08 0.00 -0.23 1.64 0.00 -1.26 -4.45 118.16 112.77 1fhb n LYS 5 Ca 0.00 0.00 0.16 0.00 0.00 0.00 0.00 58.31 58.47 1fhb n LYS 5 Cb 0.00 0.00 0.46 0.00 0.00 0.00 0.00 35.03 35.49 1fhb n LYS 5 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.40 178.18 1fhb h GLY 6 N 0.00 0.96 0.43 3.14 0.00 -1.73 0.70 103.07 106.57 1fhb h GLY 6 Ca 0.00 -0.22 0.08 0.00 0.00 0.00 0.00 47.33 47.19 1fhb h GLY 6 CO 0.00 0.04 0.21 0.00 0.00 0.00 0.00 176.54 176.78 1fhb h ALA 7 N 1.62 0.72 -0.30 3.60 0.00 -1.78 0.16 119.26 123.28 1fhb h ALA 7 Ca 0.44 0.08 -0.04 0.00 0.00 0.00 0.00 54.91 55.39 1fhb h ALA 7 Cb 0.94 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.78 1fhb h ALA 7 CO -0.18 -0.20 0.03 1.15 0.00 0.00 0.00 179.25 180.05 1fhb h THR 8 N 0.39 1.24 0.02 0.00 2.02 -1.24 -0.23 112.91 115.11 1fhb h THR 8 Ca 0.28 -0.85 0.00 0.00 0.77 0.00 0.00 66.41 66.62 1fhb h THR 8 Cb 0.34 1.22 -0.00 0.00 -1.74 0.00 0.00 68.15 67.96 1fhb h THR 8 CO -0.29 0.27 -0.03 -0.07 0.37 0.00 0.00 175.52 175.78 1fhb h LEU 9 N 0.31 -0.08 -0.37 2.58 -0.00 -1.06 0.13 115.31 116.82 1fhb h LEU 9 Ca 0.09 0.01 0.08 0.00 -0.00 0.00 0.00 57.88 58.06 1fhb h LEU 9 Cb 0.37 0.03 -0.09 0.00 -0.00 0.00 0.00 40.66 40.98 1fhb h LEU 9 CO 0.01 -0.05 -0.25 0.15 -0.00 0.00 0.00 178.44 178.30 1fhb h PHE 10 N -0.06 -0.66 -0.84 1.13 3.57 -0.62 -0.45 116.94 119.01 1fhb h PHE 10 Ca 0.01 0.05 0.05 0.00 3.53 0.00 0.00 57.97 61.60 1fhb h PHE 10 Cb 0.07 0.35 -0.05 0.00 2.79 0.00 0.00 35.95 39.11 1fhb h PHE 10 CO -0.10 -0.33 0.55 0.87 -2.23 0.00 0.00 178.31 177.08 1fhb h LYS 11 N -0.19 0.97 -0.31 1.11 1.57 -0.29 0.25 116.57 119.67 1fhb h LYS 11 Ca 0.18 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.90 1fhb h LYS 11 Cb 0.48 -0.22 0.00 0.00 0.08 0.00 0.00 32.23 32.57 1fhb h LYS 11 CO -0.48 0.64 0.00 0.25 -0.57 0.00 0.00 179.45 179.29 1fhb n THR 12 N -4.46 0.40 0.14 -0.16 -2.24 0.39 -4.44 114.28 103.91 1fhb n THR 12 Ca 0.12 -0.53 0.00 0.00 -2.27 0.00 0.00 64.05 61.37 1fhb n THR 12 Cb 0.15 0.50 0.00 0.00 -2.10 0.00 0.00 70.33 68.88 1fhb n THR 12 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1fhb n ARG 13 N 0.77 0.00 -0.06 -0.78 1.74 -0.27 -4.95 116.66 113.11 1fhb n ARG 13 Ca 0.17 0.00 -0.16 0.00 -0.77 0.00 0.00 57.85 57.08 1fhb n ARG 13 Cb 0.42 0.00 -0.13 0.00 -1.02 0.00 0.00 32.46 31.73 1fhb n ARG 13 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1fhb h LEU 15 N -0.91 0.30 -0.93 0.00 5.85 -1.22 0.21 115.31 118.61 1fhb h LEU 15 Ca -0.09 0.09 0.11 0.00 0.84 0.00 0.00 57.88 58.84 1fhb h LEU 15 Cb 1.15 0.06 -0.13 0.00 0.37 0.00 0.00 40.66 42.10 1fhb h LEU 15 CO -0.02 -0.03 -0.46 1.67 -0.34 0.00 0.00 178.44 179.26 1fhb n GLN 16 N -4.58 -0.31 -0.08 1.25 7.27 -1.24 -3.59 117.38 116.10 1fhb n GLN 16 Ca 0.31 1.43 -0.09 0.00 0.07 0.00 0.00 57.00 58.71 1fhb n GLN 16 Cb 1.17 -2.11 -0.11 0.00 2.41 0.00 0.00 30.24 31.61 1fhb n GLN 16 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1fhb s HIS 18 N -2.36 1.40 0.05 0.00 3.76 0.40 -0.81 115.29 117.73 1fhb s HIS 18 Ca -0.12 -0.86 -0.04 0.00 -0.15 0.00 0.00 55.06 53.90 1fhb s HIS 18 Cb 0.05 -1.97 -0.02 0.00 1.11 0.00 0.00 32.58 31.75 1fhb s HIS 18 CO 0.56 -0.74 0.05 0.95 -0.85 0.00 0.00 174.74 174.71 1fhb s THR 19 N -2.78 0.17 0.00 1.30 -4.23 -1.26 -4.37 115.64 104.46 1fhb s THR 19 Ca 0.40 -1.39 0.00 0.00 -1.18 0.00 0.00 61.69 59.53 1fhb s THR 19 Cb -0.03 -1.16 0.00 0.00 1.34 0.00 0.00 72.50 72.65 1fhb s THR 19 CO 0.26 -0.76 0.00 0.55 -0.54 0.00 0.00 174.62 174.12 1fhb n VAL 20 N 0.44 0.00 -2.73 2.29 3.14 -1.26 -0.51 118.33 119.71 1fhb n VAL 20 Ca -0.17 0.00 -0.41 0.00 -2.96 0.00 0.00 64.34 60.80 1fhb n VAL 20 Cb 0.60 -0.80 -0.05 0.00 -1.06 0.00 0.00 33.84 32.53 1fhb n VAL 20 CO 0.00 0.00 0.00 -1.61 -6.46 0.00 0.00 176.83 168.76 1fhb s GLU 21 N -1.83 4.71 -0.58 1.45 2.02 -1.26 -3.42 118.70 119.80 1fhb s GLU 21 Ca 0.00 1.46 -0.26 0.00 0.02 0.00 0.00 54.97 56.19 1fhb s GLU 21 Cb 0.00 -3.36 -0.10 0.00 0.10 0.00 0.00 34.13 30.77 1fhb s GLU 21 CO 0.00 0.24 2.44 1.63 0.02 0.00 0.00 175.26 179.59 1fhb n LYS 22 N 2.64 0.87 0.00 1.61 5.02 -1.26 -1.61 118.16 125.44 1fhb n LYS 22 Ca 0.02 -0.14 0.00 0.00 -2.02 0.00 0.00 58.31 56.17 1fhb n LYS 22 Cb 0.49 -3.31 0.00 0.00 -0.02 0.00 0.00 35.03 32.19 1fhb n LYS 22 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1fhb n GLY 23 N 6.16 3.35 3.66 0.72 0.00 -1.26 -5.12 105.19 112.71 1fhb n GLY 23 Ca 0.41 -0.46 -0.42 0.00 0.00 0.00 0.00 46.02 45.54 1fhb n GLY 23 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1fhb s GLY 24 N 0.00 1.58 1.06 -0.02 0.00 -0.63 -4.98 107.32 104.34 1fhb s GLY 24 Ca 0.00 0.78 -0.14 0.00 0.00 0.00 0.00 44.72 45.36 1fhb s GLY 24 CO 0.00 2.84 1.10 2.56 0.00 0.00 0.00 173.10 179.60 1fhb s PRO 25 N 3.78 -0.11 -1.37 2.90 0.04 -1.26 -4.67 135.00 134.31 1fhb s PRO 25 Ca 0.67 0.30 -0.13 0.00 0.04 0.00 0.00 61.00 61.89 1fhb s PRO 25 Cb -0.29 -1.69 -0.04 0.00 0.04 0.00 0.00 34.50 32.51 1fhb s PRO 25 CO 0.25 -3.04 2.44 0.72 0.04 0.00 0.00 177.00 177.40 1fhb n HIS 26 N -4.36 2.69 0.00 0.56 8.25 -1.26 -4.55 115.22 116.55 1fhb n HIS 26 Ca 0.07 -2.76 0.00 0.00 -0.26 0.00 0.00 57.72 54.77 1fhb n HIS 26 Cb 0.58 -2.33 0.00 0.00 1.12 0.00 0.00 29.99 29.36 1fhb n HIS 26 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 1fhb n LYS 27 N 5.09 0.00 -0.08 -0.41 5.02 -1.26 -4.55 118.16 121.98 1fhb n LYS 27 Ca 0.60 0.32 -0.16 0.00 -2.02 0.00 0.00 58.31 57.06 1fhb n LYS 27 Cb 0.30 -1.09 -0.06 0.00 -0.02 0.00 0.00 35.03 34.16 1fhb n LYS 27 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 1fhb n VAL 28 N -1.05 0.88 -4.06 -0.18 0.31 -0.28 -5.02 118.33 108.92 1fhb n VAL 28 Ca 0.00 -0.25 -0.23 0.00 -0.01 0.00 0.00 64.34 63.85 1fhb n VAL 28 Cb 0.00 -1.58 -0.04 0.00 -0.91 0.00 0.00 33.84 31.31 1fhb n VAL 28 CO 0.00 0.00 0.00 -0.83 -1.32 0.00 0.00 176.83 174.68 1fhb s GLY 29 N -5.33 1.46 0.68 2.92 0.00 0.01 -5.00 107.32 102.06 1fhb s GLY 29 Ca -0.22 -1.29 -0.13 0.00 0.00 0.00 0.00 44.72 43.07 1fhb s GLY 29 CO 0.30 -1.32 1.08 2.56 0.00 0.00 0.00 173.10 175.72 1fhb s PRO 30 N -3.65 2.82 0.16 2.90 0.04 -1.26 -4.44 135.00 131.56 1fhb s PRO 30 Ca 0.33 1.22 -0.32 0.00 0.04 0.00 0.00 61.00 62.27 1fhb s PRO 30 Cb -0.09 -1.96 -0.10 0.00 0.04 0.00 0.00 34.50 32.38 1fhb s PRO 30 CO 0.26 -1.21 1.66 1.21 0.04 0.00 0.00 177.00 178.95 1fhb s ASN 31 N -3.03 6.50 -0.17 6.66 3.84 -1.26 -4.37 114.94 123.11 1fhb s ASN 31 Ca 0.63 2.70 0.12 0.00 0.21 0.00 0.00 52.86 56.51 1fhb s ASN 31 Cb -0.17 -2.59 0.63 0.00 -0.55 0.00 0.00 41.25 38.57 1fhb s ASN 31 CO 0.46 -0.90 1.47 0.18 -2.79 0.00 0.00 177.10 175.52 1fhb n LEU 32 N 4.39 4.53 -4.77 3.21 4.77 0.33 -4.94 117.00 124.52 1fhb n LEU 32 Ca 0.15 -2.30 -0.41 0.00 -0.03 0.00 0.00 56.01 53.43 1fhb n LEU 32 Cb 0.38 -0.62 -0.00 0.00 -2.33 0.00 0.00 43.42 40.84 1fhb n LEU 32 CO 0.63 0.57 1.08 -2.28 -1.33 0.00 0.00 177.39 176.06 1fhb s HIS 33 N -2.25 2.68 -1.26 -1.77 2.46 -1.22 -3.08 115.29 110.84 1fhb s HIS 33 Ca 0.42 1.25 0.00 0.00 0.47 0.00 0.00 55.06 57.21 1fhb s HIS 33 Cb 0.31 -3.91 0.00 0.00 -0.13 0.00 0.00 32.58 28.85 1fhb s HIS 33 CO 0.14 -2.68 0.00 0.41 -2.47 0.00 0.00 174.74 170.14 1fhb n GLY 34 N 0.56 1.13 0.27 1.59 0.00 -1.26 -4.84 105.19 102.65 1fhb n GLY 34 Ca 0.02 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.98 1fhb n GLY 34 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1fhb h ILE 35 N 0.00 1.20 -1.72 -0.61 6.09 -1.85 -3.34 117.51 117.29 1fhb h ILE 35 Ca -0.24 -0.50 -0.48 0.00 -1.37 0.00 0.00 64.86 62.27 1fhb h ILE 35 Cb 1.06 0.33 -0.00 0.00 0.47 0.00 0.00 36.82 38.68 1fhb h ILE 35 CO 0.36 0.22 1.57 -0.36 -3.07 0.00 0.00 178.15 176.86 1fhb s PHE 36 N -5.88 1.20 0.00 2.19 0.40 -1.26 -0.75 117.98 113.88 1fhb s PHE 36 Ca -0.13 1.36 0.00 0.00 -0.60 0.00 0.00 56.93 57.56 1fhb s PHE 36 Cb 0.14 -3.71 0.00 0.00 0.51 0.00 0.00 43.02 39.96 1fhb s PHE 36 CO 0.78 -2.55 0.00 0.41 0.70 0.00 0.00 175.22 174.56 1fhb n GLY 37 N 5.92 0.87 3.13 4.36 0.00 0.76 -5.00 105.19 115.23 1fhb n GLY 37 Ca 0.33 -0.21 -0.33 0.00 0.00 0.00 0.00 46.02 45.81 1fhb n GLY 37 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1fhb s ARG 38 N -0.47 2.89 0.62 1.61 3.00 0.07 -5.00 118.95 121.67 1fhb s ARG 38 Ca 0.00 -0.91 -0.18 0.00 0.00 0.00 0.00 55.73 54.64 1fhb s ARG 38 Cb 0.00 -2.67 -0.03 0.00 0.00 0.00 0.00 34.95 32.25 1fhb s ARG 38 CO 0.00 -0.27 1.08 1.04 0.00 0.00 0.00 175.30 177.15 1fhb n GLN 39 N 4.60 0.96 -1.80 3.54 6.02 -1.22 -4.33 117.38 125.16 1fhb n GLN 39 Ca -0.20 0.38 -0.36 0.00 -0.01 0.00 0.00 57.00 56.81 1fhb n GLN 39 Cb 0.49 -2.30 0.06 0.00 1.02 0.00 0.00 30.24 29.50 1fhb n GLN 39 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.06 174.51 1fhb s SER 40 N -1.31 4.81 -0.67 1.08 1.04 0.16 -4.08 113.70 114.73 1fhb s SER 40 Ca 0.79 2.42 -0.01 0.00 0.48 0.00 0.00 55.95 59.62 1fhb s SER 40 Cb -0.40 -2.60 -0.01 0.00 0.10 0.00 0.00 66.02 63.11 1fhb s SER 40 CO 0.44 -1.85 0.57 0.61 0.98 0.00 0.00 173.24 173.99 1fhb n GLY 41 N 0.52 -0.10 0.00 7.32 0.00 -1.26 -4.65 105.19 107.01 1fhb n GLY 41 Ca 0.14 -0.03 0.00 0.00 0.00 0.00 0.00 46.02 46.12 1fhb n GLY 41 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1fhb n GLN 42 N -2.73 4.70 -1.94 1.61 10.64 -1.26 -4.87 117.38 123.54 1fhb n GLN 42 Ca -0.13 0.00 -0.27 0.00 -1.83 0.00 0.00 57.00 54.77 1fhb n GLN 42 Cb 0.59 -0.34 -0.07 0.00 -0.86 0.00 0.00 30.24 29.55 1fhb n GLN 42 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 1fhb n ALA 43 N -0.68 1.60 -0.90 2.61 0.00 -1.26 -4.87 120.51 117.01 1fhb n ALA 43 Ca 0.00 -2.90 -0.44 0.00 0.00 0.00 0.00 53.44 50.10 1fhb n ALA 43 Cb 0.00 -3.46 -0.08 0.00 0.00 0.00 0.00 19.45 15.90 1fhb n ALA 43 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1fhb n GLU 44 N 8.20 0.88 0.00 0.00 1.02 -1.26 -3.70 120.64 125.78 1fhb n GLU 44 Ca 0.44 -1.51 0.00 0.00 -0.02 0.00 0.00 57.16 56.08 1fhb n GLU 44 Cb 0.46 -2.76 0.00 0.00 -0.02 0.00 0.00 31.44 29.12 1fhb n GLU 44 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1fhb n GLY 45 N 4.74 -0.46 3.56 0.62 0.00 -1.26 -5.17 105.19 107.23 1fhb n GLY 45 Ca 0.48 0.18 -0.06 0.00 0.00 0.00 0.00 46.02 46.62 1fhb n GLY 45 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1fhb s TYR 46 N 0.00 -0.23 -0.96 1.61 5.04 -1.24 -4.97 117.35 116.60 1fhb s TYR 46 Ca 0.00 0.20 -0.24 0.00 -2.44 0.00 0.00 57.07 54.59 1fhb s TYR 46 Cb 0.00 0.51 -0.01 0.00 0.35 0.00 0.00 41.96 42.81 1fhb s TYR 46 CO 0.00 -0.33 1.78 -1.54 -1.34 0.00 0.00 175.55 174.12 1fhb s SER 47 N -2.05 5.61 0.07 4.32 1.04 -1.26 -4.95 113.70 116.48 1fhb s SER 47 Ca 0.06 -1.00 0.00 0.00 0.48 0.00 0.00 55.95 55.50 1fhb s SER 47 Cb -0.01 -2.56 0.00 0.00 0.10 0.00 0.00 66.02 63.55 1fhb s SER 47 CO -0.05 -2.33 0.00 -1.22 0.98 0.00 0.00 173.24 170.62 1fhb n TYR 48 N 12.24 -2.81 -4.21 5.02 4.01 -1.26 -5.03 117.16 125.12 1fhb n TYR 48 Ca 0.38 0.00 -0.16 0.00 -0.16 0.00 0.00 57.90 57.96 1fhb n TYR 48 Cb 0.48 0.00 -0.14 0.00 -0.31 0.00 0.00 39.34 39.37 1fhb n TYR 48 CO 0.00 0.00 0.00 0.95 -0.46 0.00 0.00 176.86 177.35 1fhb s THR 49 N 0.93 0.50 0.21 -0.72 -4.23 -1.26 -5.01 115.64 106.06 1fhb s THR 49 Ca 0.00 -0.33 -0.10 0.00 -1.18 0.00 0.00 61.69 60.08 1fhb s THR 49 Cb 0.00 -0.44 0.16 0.00 1.34 0.00 0.00 72.50 73.56 1fhb s THR 49 CO 0.00 0.11 1.71 -0.78 -0.54 0.00 0.00 174.62 175.11 1fhb h ASP 50 N 5.88 0.00 -0.43 3.99 3.58 -1.99 -1.63 116.42 125.83 1fhb h ASP 50 Ca -0.29 0.11 0.07 0.00 0.42 0.00 0.00 57.03 57.34 1fhb h ASP 50 Cb 1.19 0.15 -0.09 0.00 1.72 0.00 0.00 39.33 42.30 1fhb h ASP 50 CO 0.49 0.01 -0.40 0.00 -2.88 0.00 0.00 179.24 176.46 1fhb h ALA 51 N 1.47 -0.36 -0.07 -0.78 0.00 -1.93 0.25 119.26 117.85 1fhb h ALA 51 Ca 0.31 0.08 0.02 0.00 0.00 0.00 0.00 54.91 55.32 1fhb h ALA 51 Cb 0.45 0.86 -0.03 0.00 0.00 0.00 0.00 17.79 19.07 1fhb h ALA 51 CO -0.39 -0.83 -0.08 -0.97 0.00 0.00 0.00 179.25 176.98 1fhb h ASN 52 N -0.30 -0.24 0.09 0.00 -0.73 -1.72 -0.84 115.58 111.84 1fhb h ASN 52 Ca 0.15 0.05 0.02 0.00 1.87 0.00 0.00 56.30 58.39 1fhb h ASN 52 Cb 0.57 0.12 -0.05 0.00 0.27 0.00 0.00 38.32 39.23 1fhb h ASN 52 CO -0.58 -0.11 -0.47 0.40 -0.37 0.00 0.00 177.43 176.30 1fhb h ILE 53 N -0.11 0.09 -0.14 2.57 2.04 -0.29 0.02 117.51 121.69 1fhb h ILE 53 Ca 0.05 0.00 0.04 0.00 1.00 0.00 0.00 64.86 65.95 1fhb h ILE 53 Cb 0.18 0.09 -0.01 0.00 -0.74 0.00 0.00 36.82 36.35 1fhb h ILE 53 CO -0.13 0.00 0.12 0.11 0.00 0.00 0.00 178.15 178.25 1fhb h LYS 54 N -0.68 0.00 -1.06 2.37 1.57 -0.50 0.15 116.57 118.42 1fhb h LYS 54 Ca 0.02 0.00 -0.33 0.00 -1.87 0.00 0.00 60.65 58.47 1fhb h LYS 54 Cb 0.71 0.00 -0.19 0.00 0.08 0.00 0.00 32.23 32.84 1fhb h LYS 54 CO -0.28 0.00 0.42 1.17 -0.57 0.00 0.00 179.45 180.19 1fhb n LYS 55 N -4.13 1.80 -0.98 3.15 3.00 -0.07 -4.97 118.16 115.96 1fhb n LYS 55 Ca 0.00 -1.85 -0.25 0.00 -0.00 0.00 0.00 58.31 56.22 1fhb n LYS 55 Cb 0.24 -1.72 -0.11 0.00 0.00 0.00 0.00 35.03 33.44 1fhb n LYS 55 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.40 177.49 1fhb n ASN 56 N -0.41 -0.01 -4.19 3.14 3.02 0.52 -4.87 115.26 112.46 1fhb n ASN 56 Ca 0.37 0.03 -0.31 0.00 -0.03 0.00 0.00 54.58 54.64 1fhb n ASN 56 Cb 1.12 -0.55 -0.17 0.00 -0.61 0.00 0.00 39.78 39.56 1fhb n ASN 56 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1fhb s VAL 57 N 4.84 1.91 0.56 2.41 1.01 -1.26 -4.88 120.40 124.99 1fhb s VAL 57 Ca 0.88 -0.93 0.27 0.00 0.00 0.00 0.00 61.98 62.20 1fhb s VAL 57 Cb -0.77 -1.66 0.39 0.00 0.00 0.00 0.00 36.38 34.33 1fhb s VAL 57 CO 0.33 0.53 1.99 0.25 0.00 0.00 0.00 175.10 178.20 1fhb h LEU 58 N 6.75 0.00 -2.10 3.92 6.46 -1.90 0.45 115.31 128.90 1fhb h LEU 58 Ca -0.21 0.00 0.01 0.00 -0.12 0.00 0.00 57.88 57.56 1fhb h LEU 58 Cb 1.23 0.00 -0.09 0.00 -0.73 0.00 0.00 40.66 41.07 1fhb h LEU 58 CO 0.47 0.00 -1.26 0.79 -0.62 0.00 0.00 178.44 177.82 1fhb n TRP 59 N -4.11 -3.85 -4.11 1.25 5.03 -1.26 -2.47 117.44 107.91 1fhb n TRP 59 Ca 0.08 2.26 -0.13 0.00 3.03 0.00 0.00 57.50 62.73 1fhb n TRP 59 Cb 0.57 -3.55 -0.06 0.00 -1.03 0.00 0.00 31.31 27.23 1fhb n TRP 59 CO 0.00 0.00 0.00 0.16 -0.03 0.00 0.00 177.69 177.82 1fhb s ASP 60 N -0.55 0.63 0.45 -0.99 1.47 -1.26 -0.17 116.67 116.25 1fhb s ASP 60 Ca -0.20 -1.38 0.21 0.00 1.18 0.00 0.00 52.55 52.36 1fhb s ASP 60 Cb 0.01 0.58 1.19 0.00 -0.34 0.00 0.00 42.92 44.36 1fhb s ASP 60 CO 0.54 -1.15 1.88 -0.08 0.68 0.00 0.00 175.17 177.04 1fhb h GLU 61 N 2.25 0.28 0.00 2.11 4.81 -1.99 0.44 114.58 122.47 1fhb h GLU 61 Ca -0.29 -0.02 -0.06 0.00 -0.13 0.00 0.00 59.36 58.86 1fhb h GLU 61 Cb 1.24 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 30.55 1fhb h GLU 61 CO 0.41 0.19 -0.69 -0.97 -0.73 0.00 0.00 179.01 177.21 1fhb h ASN 62 N 0.29 0.00 -0.57 1.04 -0.73 -1.99 -3.23 115.58 110.40 1fhb h ASN 62 Ca 0.44 -0.14 0.02 0.00 1.87 0.00 0.00 56.30 58.49 1fhb h ASN 62 Cb 1.26 0.00 -0.04 0.00 0.27 0.00 0.00 38.32 39.81 1fhb h ASN 62 CO -0.13 0.95 0.35 0.78 -0.37 0.00 0.00 177.43 179.01 1fhb h ASN 63 N -1.00 0.57 -0.61 1.15 2.35 -1.95 -0.76 115.58 115.33 1fhb h ASN 63 Ca -0.10 0.00 -0.08 0.00 -0.55 0.00 0.00 56.30 55.57 1fhb h ASN 63 Cb 0.71 -0.12 -0.03 0.00 0.05 0.00 0.00 38.32 38.93 1fhb h ASN 63 CO -0.06 0.40 0.08 -0.03 -1.65 0.00 0.00 177.43 176.17 1fhb h MET 64 N 0.69 1.05 -0.25 0.81 4.05 -1.12 -0.26 114.93 119.90 1fhb h MET 64 Ca 0.23 -0.29 0.04 0.00 -0.28 0.00 0.00 59.70 59.40 1fhb h MET 64 Cb 0.01 -0.12 -0.03 0.00 -0.80 0.00 0.00 31.60 30.65 1fhb h MET 64 CO -0.09 0.98 0.03 1.03 0.23 0.00 0.00 176.91 179.09 1fhb h SER 65 N 0.98 -0.02 0.41 1.39 0.87 -1.30 0.12 113.55 116.00 1fhb h SER 65 Ca 0.19 0.05 -0.02 0.00 -1.23 0.00 0.00 61.79 60.78 1fhb h SER 65 Cb 0.45 0.07 -0.01 0.00 -0.44 0.00 0.00 62.40 62.47 1fhb h SER 65 CO 0.02 0.02 -0.31 -0.08 -0.53 0.00 0.00 176.83 175.94 1fhb h GLU 66 N 0.12 -0.67 -0.85 2.24 4.57 -0.90 -1.89 114.58 117.20 1fhb h GLU 66 Ca 0.12 0.05 0.13 0.00 -1.18 0.00 0.00 59.36 58.47 1fhb h GLU 66 Cb 0.13 0.15 -0.14 0.00 -0.16 0.00 0.00 28.75 28.73 1fhb h GLU 66 CO -0.17 -0.45 -0.41 -0.92 -1.18 0.00 0.00 179.01 175.88 1fhb h TYR 67 N -0.70 -1.19 0.00 0.92 3.20 -0.89 0.13 116.97 118.45 1fhb h TYR 67 Ca -0.05 0.10 -0.01 0.00 3.14 0.00 0.00 58.73 61.91 1fhb h TYR 67 Cb 0.58 0.64 -0.00 0.00 1.54 0.00 0.00 36.73 39.49 1fhb h TYR 67 CO -0.10 -0.40 -0.03 1.25 -1.64 0.00 0.00 178.16 177.23 1fhb h LEU 68 N -0.07 0.00 -0.72 2.82 5.85 -0.67 0.16 115.31 122.67 1fhb h LEU 68 Ca 0.28 0.00 -0.12 0.00 0.84 0.00 0.00 57.88 58.88 1fhb h LEU 68 Cb 0.56 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.58 1fhb h LEU 68 CO -0.88 0.03 -0.28 0.74 -0.34 0.00 0.00 178.44 177.72 1fhb h THR 69 N 0.00 1.28 -0.90 1.05 2.02 0.12 0.16 112.91 116.63 1fhb h THR 69 Ca -0.00 -1.39 -0.12 0.00 0.77 0.00 0.00 66.41 65.67 1fhb h THR 69 Cb 0.33 1.34 -0.16 0.00 -1.74 0.00 0.00 68.15 67.91 1fhb h THR 69 CO 0.00 0.45 -0.44 0.54 0.37 0.00 0.00 175.52 176.45 1fhb s ASN 70 N -6.79 -1.32 0.00 4.18 6.03 0.35 -3.62 114.94 113.77 1fhb s ASN 70 Ca -0.08 -1.46 0.00 0.00 -1.03 0.00 0.00 52.86 50.29 1fhb s ASN 70 Cb 0.13 1.73 0.00 0.00 -3.03 0.00 0.00 41.25 40.08 1fhb s ASN 70 CO 0.82 -0.06 0.32 -0.81 -2.03 0.00 0.00 177.10 175.35 1fhb n PRO 71 N 3.09 0.32 0.00 3.55 -0.04 -0.10 -2.60 135.00 139.22 1fhb n PRO 71 Ca 0.16 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.62 1fhb n PRO 71 Cb 0.57 -1.34 0.00 0.00 -0.04 0.00 0.00 33.50 32.70 1fhb n PRO 71 CO 0.00 0.00 0.00 1.17 -0.04 0.00 0.00 175.50 176.63 1fhb n LYS 73 N 0.83 0.00 -0.26 0.54 4.81 -1.26 -0.34 118.16 122.48 1fhb n LYS 73 Ca 0.00 0.00 -0.06 0.00 -0.87 0.00 0.00 58.31 57.38 1fhb n LYS 73 Cb 0.16 0.00 0.05 0.00 0.02 0.00 0.00 35.03 35.27 1fhb n LYS 73 CO 0.00 0.00 0.00 -0.92 1.17 0.00 0.00 177.40 177.65 1fhb h TYR 74 N 0.00 1.05 -3.48 5.64 5.03 -1.84 -3.33 116.97 120.04 1fhb h TYR 74 Ca 0.00 -0.05 -0.65 0.00 2.58 0.00 0.00 58.73 60.60 1fhb h TYR 74 Cb 0.00 -0.32 -0.40 0.00 1.55 0.00 0.00 36.73 37.55 1fhb h TYR 74 CO 0.00 0.78 -0.63 0.42 -1.32 0.00 0.00 178.16 177.41 1fhb s ILE 75 N -5.69 2.61 -1.27 1.81 1.01 0.53 -5.02 121.20 115.18 1fhb s ILE 75 Ca -0.13 -2.99 -0.15 0.00 0.00 0.00 0.00 60.65 57.38 1fhb s ILE 75 Cb 0.15 -2.83 -0.03 0.00 0.01 0.00 0.00 42.46 39.76 1fhb s ILE 75 CO 0.81 -0.75 2.22 -0.81 0.00 0.00 0.00 174.94 176.42 1fhb n PRO 76 N 3.49 2.55 0.00 2.79 -0.04 -1.25 -3.01 135.00 139.53 1fhb n PRO 76 Ca 0.05 -2.30 0.00 0.00 -0.04 0.00 0.00 63.50 61.21 1fhb n PRO 76 Cb 0.35 -3.10 0.00 0.00 -0.04 0.00 0.00 33.50 30.72 1fhb n PRO 76 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1fhb n GLY 77 N 4.14 0.00 3.64 0.55 0.00 -1.26 -4.95 105.19 107.30 1fhb n GLY 77 Ca 0.54 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 46.23 1fhb n GLY 77 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1fhb s THR 78 N 0.00 3.93 0.14 2.61 -1.32 -1.16 -4.57 115.64 115.27 1fhb s THR 78 Ca 0.00 -0.58 -0.16 0.00 -1.21 0.00 0.00 61.69 59.74 1fhb s THR 78 Cb 0.00 -2.70 -0.00 0.00 -1.51 0.00 0.00 72.50 68.29 1fhb s THR 78 CO 0.00 0.46 1.70 0.50 -2.21 0.00 0.00 174.62 175.07 1fhb h LYS 79 N 4.68 0.59 -6.08 7.08 3.11 -1.96 -3.45 116.57 120.55 1fhb h LYS 79 Ca -0.49 -0.10 -0.77 0.00 -2.81 0.00 0.00 60.65 56.48 1fhb h LYS 79 Cb 1.18 -0.10 0.04 0.00 -1.00 0.00 0.00 32.23 32.35 1fhb h LYS 79 CO 0.55 0.53 0.31 0.00 -2.81 0.00 0.00 179.45 178.03 1fhb n ALA 80 N -2.29 -2.41 -3.51 5.00 0.00 -1.26 -5.00 120.51 111.04 1fhb n ALA 80 Ca 0.00 0.55 -0.07 0.00 0.00 0.00 0.00 53.44 53.92 1fhb n ALA 80 Cb 0.12 -1.90 -0.08 0.00 0.00 0.00 0.00 19.45 17.60 1fhb n ALA 80 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1fhb s ALA 81 N 0.81 -1.29 0.36 0.00 0.00 -1.26 -4.98 121.76 115.40 1fhb s ALA 81 Ca 0.92 1.40 -0.15 0.00 0.00 0.00 0.00 51.96 54.13 1fhb s ALA 81 Cb -1.21 -1.54 0.04 0.00 0.00 0.00 0.00 23.12 20.41 1fhb s ALA 81 CO 0.59 -0.98 0.74 -0.59 0.00 0.00 0.00 175.76 175.51 1fhb s PHE 82 N 2.63 0.19 -1.13 0.00 -0.71 -1.26 -5.07 117.98 112.63 1fhb s PHE 82 Ca 0.05 -0.78 -0.24 0.00 -1.04 0.00 0.00 56.93 54.92 1fhb s PHE 82 Cb -0.13 0.70 -0.12 0.00 -1.21 0.00 0.00 43.02 42.26 1fhb s PHE 82 CO -0.15 -1.46 1.99 0.20 -1.34 0.00 0.00 175.22 174.46 1fhb s GLY 83 N -3.07 -0.14 -0.05 1.99 0.00 -1.26 -4.92 107.32 99.87 1fhb s GLY 83 Ca 0.17 -1.92 -0.16 0.00 0.00 0.00 0.00 44.72 42.80 1fhb s GLY 83 CO 0.12 3.73 0.46 0.61 0.00 0.00 0.00 173.10 178.01 1fhb n GLY 84 N 5.99 -0.06 2.86 0.20 0.00 -1.26 -4.71 105.19 108.21 1fhb n GLY 84 Ca 0.44 0.31 -0.41 0.00 0.00 0.00 0.00 46.02 46.36 1fhb n GLY 84 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1fhb n LEU 85 N 0.83 5.59 0.13 0.99 4.77 0.57 -4.64 117.00 125.25 1fhb n LEU 85 Ca 0.09 -3.49 0.09 0.00 -0.03 0.00 0.00 56.01 52.67 1fhb n LEU 85 Cb 0.02 -1.36 0.58 0.00 -2.33 0.00 0.00 43.42 40.33 1fhb n LEU 85 CO 0.26 0.47 1.12 0.11 -1.33 0.00 0.00 177.39 178.02 1fhb h LYS 86 N 6.81 0.16 -1.00 3.23 1.79 -1.84 -3.22 116.57 122.50 1fhb h LYS 86 Ca 0.52 -0.01 0.34 0.00 -2.18 0.00 0.00 60.65 59.31 1fhb h LYS 86 Cb 0.59 -0.04 -0.15 0.00 -1.58 0.00 0.00 32.23 31.05 1fhb h LYS 86 CO 1.88 0.11 0.55 0.87 -1.08 0.00 0.00 179.45 181.77 1fhb h LYS 87 N 0.17 0.25 0.00 3.15 1.79 -1.96 -3.44 116.57 116.53 1fhb h LYS 87 Ca 0.10 -0.02 0.00 0.00 -2.18 0.00 0.00 60.65 58.55 1fhb h LYS 87 Cb 0.18 -0.06 0.00 0.00 -1.58 0.00 0.00 32.23 30.77 1fhb h LYS 87 CO -0.02 0.17 0.00 -1.91 -1.08 0.00 0.00 179.45 176.61 1fhb n GLU 88 N -5.10 0.00 0.21 3.15 0.00 -1.22 -4.33 120.64 113.36 1fhb n GLU 88 Ca 0.32 0.00 -0.14 0.00 0.00 0.00 0.00 57.16 57.35 1fhb n GLU 88 Cb 1.03 -0.00 -0.08 0.00 0.00 0.00 0.00 31.44 32.38 1fhb n GLU 88 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.13 178.00 1fhb h LYS 89 N 0.00 -0.53 -0.32 5.31 6.56 -1.92 0.23 116.57 125.90 1fhb h LYS 89 Ca 0.00 0.04 0.05 0.00 -1.06 0.00 0.00 60.65 59.67 1fhb h LYS 89 Cb 0.00 0.12 -0.04 0.00 -0.57 0.00 0.00 32.23 31.74 1fhb h LYS 89 CO 0.00 -0.23 0.06 -0.44 -2.06 0.00 0.00 179.45 176.78 1fhb h ASP 90 N -0.85 -0.00 -0.63 0.86 3.32 -1.98 -0.64 116.42 116.50 1fhb h ASP 90 Ca -0.06 0.05 0.13 0.00 0.02 0.00 0.00 57.03 57.17 1fhb h ASP 90 Cb 0.55 0.08 -0.12 0.00 0.22 0.00 0.00 39.33 40.06 1fhb h ASP 90 CO 0.09 0.03 -0.16 -0.09 -1.72 0.00 0.00 179.24 177.40 1fhb h ARG 91 N 0.17 -0.00 -0.19 3.56 2.43 -1.85 0.11 114.38 118.61 1fhb h ARG 91 Ca 0.15 0.00 0.04 0.00 -0.81 0.00 0.00 59.98 59.36 1fhb h ARG 91 Cb 0.17 0.00 -0.04 0.00 -0.42 0.00 0.00 29.97 29.69 1fhb h ARG 91 CO -0.21 -0.00 -0.04 -0.91 -1.51 0.00 0.00 179.97 177.30 1fhb h ASN 92 N -0.00 -0.16 0.31 -3.80 2.35 0.10 0.25 115.58 114.63 1fhb h ASN 92 Ca 0.30 0.06 -0.01 0.00 -0.55 0.00 0.00 56.30 56.09 1fhb h ASN 92 Cb 0.46 0.11 -0.00 0.00 0.05 0.00 0.00 38.32 38.94 1fhb h ASN 92 CO -0.65 -0.06 -0.17 0.44 -1.65 0.00 0.00 177.43 175.34 1fhb h ASP 93 N 0.01 -0.42 -0.23 5.81 3.32 -1.00 -1.06 116.42 122.85 1fhb h ASP 93 Ca 0.09 0.02 0.06 0.00 0.02 0.00 0.00 57.03 57.22 1fhb h ASP 93 Cb 0.14 0.12 -0.07 0.00 0.22 0.00 0.00 39.33 39.73 1fhb h ASP 93 CO -0.19 -0.28 -0.33 0.25 -1.72 0.00 0.00 179.24 176.96 1fhb h LEU 94 N -0.45 -1.07 -0.26 1.55 5.85 -0.32 0.15 115.31 120.75 1fhb h LEU 94 Ca -0.04 0.17 0.05 0.00 0.84 0.00 0.00 57.88 58.90 1fhb h LEU 94 Cb 0.37 0.47 -0.05 0.00 0.37 0.00 0.00 40.66 41.81 1fhb h LEU 94 CO 0.05 -0.35 -0.08 0.40 -0.34 0.00 0.00 178.44 178.11 1fhb h ILE 95 N -0.35 0.70 -0.11 4.05 2.04 -0.46 0.16 117.51 123.54 1fhb h ILE 95 Ca 0.12 0.00 0.04 0.00 1.00 0.00 0.00 64.86 66.02 1fhb h ILE 95 Cb 0.55 0.70 -0.05 0.00 -0.74 0.00 0.00 36.82 37.27 1fhb h ILE 95 CO -0.43 0.00 -0.22 0.74 0.00 0.00 0.00 178.15 178.24 1fhb h THR 96 N -0.03 0.45 -0.29 -0.27 2.02 -0.39 0.11 112.91 114.51 1fhb h THR 96 Ca 0.13 0.00 0.07 0.00 0.77 0.00 0.00 66.41 67.37 1fhb h THR 96 Cb 0.23 0.45 -0.07 0.00 -1.74 0.00 0.00 68.15 67.02 1fhb h THR 96 CO -0.28 0.00 -0.14 0.22 0.37 0.00 0.00 175.52 175.68 1fhb h TYR 97 N -0.29 -0.35 0.15 3.16 3.20 -0.17 -1.02 116.97 121.64 1fhb h TYR 97 Ca 0.10 0.03 0.01 0.00 3.14 0.00 0.00 58.73 62.01 1fhb h TYR 97 Cb 0.43 0.20 -0.02 0.00 1.54 0.00 0.00 36.73 38.88 1fhb h TYR 97 CO -0.32 -0.22 -0.21 1.25 -1.64 0.00 0.00 178.16 177.03 1fhb h LEU 98 N -0.10 -0.57 -0.68 2.82 5.85 0.06 0.40 115.31 123.08 1fhb h LEU 98 Ca 0.15 0.06 0.15 0.00 0.84 0.00 0.00 57.88 59.08 1fhb h LEU 98 Cb 0.33 0.21 -0.11 0.00 0.37 0.00 0.00 40.66 41.47 1fhb h LEU 98 CO -0.36 -0.30 0.09 0.50 -0.34 0.00 0.00 178.44 178.04 1fhb h LYS 99 N -0.41 0.19 -0.01 1.25 3.64 -0.52 0.20 116.57 120.90 1fhb h LYS 99 Ca 0.02 -0.01 -0.16 0.00 -1.27 0.00 0.00 60.65 59.22 1fhb h LYS 99 Cb 0.41 -0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 32.17 1fhb h LYS 99 CO -0.09 0.13 -0.75 0.87 -2.27 0.00 0.00 179.45 177.34 1fhb h LYS 100 N 0.20 0.09 0.00 1.90 1.79 -0.55 -2.88 116.57 117.11 1fhb h LYS 100 Ca 0.37 -0.08 -0.08 0.00 -2.18 0.00 0.00 60.65 58.68 1fhb h LYS 100 Cb 0.62 0.02 -0.01 0.00 -1.58 0.00 0.00 32.23 31.28 1fhb h LYS 100 CO -0.52 0.79 -0.39 0.00 -1.08 0.00 0.00 179.45 178.25 1fhb h ALA 101 N 1.18 1.24 -0.66 3.86 0.00 0.14 -2.72 119.26 122.30 1fhb h ALA 101 Ca -0.02 -0.35 -0.38 0.00 0.00 0.00 0.00 54.91 54.16 1fhb h ALA 101 Cb 1.32 -0.06 -0.20 0.00 0.00 0.00 0.00 17.79 18.85 1fhb h ALA 101 CO 0.10 0.48 0.49 -1.13 0.00 0.00 0.00 179.25 179.20 1fhb n SER 102 N -3.90 4.85 -0.93 0.00 3.41 0.53 -4.83 113.62 112.75 1fhb n SER 102 Ca -0.01 -3.16 0.12 0.00 -0.26 0.00 0.00 58.87 55.55 1fhb n SER 102 Cb 0.44 -0.85 0.10 0.00 -0.26 0.00 0.00 64.21 63.64 1fhb n SER 102 CO 0.00 0.00 0.00 1.21 -0.16 0.00 0.00 175.04 176.09