#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1fhi n PHE 3 N 0.00 0.00 -3.14 7.33 3.72 -1.26 -3.86 117.46 120.25 1fhi n PHE 3 Ca 0.00 0.00 -0.31 0.00 -0.05 0.00 0.00 57.45 57.09 1fhi n PHE 3 Cb 0.00 -1.70 -0.05 0.00 -0.94 0.00 0.00 39.48 36.79 1fhi n PHE 3 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 176.76 177.74 1fhi s ARG 4 N -1.42 3.84 -0.48 -1.08 0.52 -1.26 0.62 118.95 119.69 1fhi s ARG 4 Ca 0.00 0.43 0.06 0.00 -0.52 0.00 0.00 55.73 55.70 1fhi s ARG 4 Cb 0.00 -2.50 0.19 0.00 0.52 0.00 0.00 34.95 33.16 1fhi s ARG 4 CO 0.00 0.14 0.75 0.12 0.02 0.00 0.00 175.30 176.33 1fhi s PHE 5 N -2.08 -1.51 0.00 -0.53 5.36 -0.40 -4.78 117.98 114.04 1fhi s PHE 5 Ca 0.50 -0.38 0.00 0.00 -0.96 0.00 0.00 56.93 56.10 1fhi s PHE 5 Cb -0.11 0.29 0.00 0.00 -0.34 0.00 0.00 43.02 42.87 1fhi s PHE 5 CO 0.24 -1.16 0.00 0.41 -1.46 0.00 0.00 175.22 173.25 1fhi n GLY 6 N 3.18 0.54 0.24 13.12 0.00 -1.26 -3.16 105.19 117.85 1fhi n GLY 6 Ca 0.16 -0.88 0.16 0.00 0.00 0.00 0.00 46.02 45.46 1fhi n GLY 6 CO 0.00 0.00 0.00 0.06 0.00 0.00 0.00 173.32 173.38 1fhi h GLN 7 N 0.00 0.00 -6.21 1.61 3.07 -1.98 -3.44 115.11 108.16 1fhi h GLN 7 Ca 0.00 0.00 -0.59 0.00 0.09 0.00 0.00 58.65 58.15 1fhi h GLN 7 Cb 0.00 0.00 -0.17 0.00 0.08 0.00 0.00 27.48 27.39 1fhi h GLN 7 CO 0.00 0.00 -0.79 -3.38 0.09 0.00 0.00 178.83 174.75 1fhi s HIS 8 N -3.66 2.10 0.42 0.06 -3.43 -1.19 -5.13 115.29 104.46 1fhi s HIS 8 Ca 0.00 -0.40 -0.11 0.00 -0.80 0.00 0.00 55.06 53.75 1fhi s HIS 8 Cb 0.10 -1.00 -0.06 0.00 -1.43 0.00 0.00 32.58 30.18 1fhi s HIS 8 CO 0.44 0.50 0.79 -0.51 -2.00 0.00 0.00 174.74 173.96 1fhi s LEU 9 N -2.95 3.80 -0.07 5.38 1.02 -1.26 -1.28 118.68 123.31 1fhi s LEU 9 Ca 0.22 1.17 0.04 0.00 0.02 0.00 0.00 54.13 55.58 1fhi s LEU 9 Cb -0.06 -4.06 -0.02 0.00 0.02 0.00 0.00 46.19 42.07 1fhi s LEU 9 CO 0.10 -0.43 -0.19 -0.63 0.02 0.00 0.00 176.35 175.22 1fhi s ILE 10 N -2.42 2.60 0.43 -0.59 -1.09 0.20 -4.88 121.20 115.45 1fhi s ILE 10 Ca 0.52 -0.87 -0.23 0.00 -2.23 0.00 0.00 60.65 57.84 1fhi s ILE 10 Cb -0.10 -2.00 -0.08 0.00 -1.58 0.00 0.00 42.46 38.69 1fhi s ILE 10 CO 0.32 0.57 1.10 -0.54 -1.23 0.00 0.00 174.94 175.16 1fhi s LYS 11 N -0.23 3.96 0.33 2.79 1.02 -1.26 -4.06 119.74 122.29 1fhi s LYS 11 Ca -0.00 1.63 0.03 0.00 0.02 0.00 0.00 55.97 57.65 1fhi s LYS 11 Cb -0.13 -2.46 0.63 0.00 -0.52 0.00 0.00 37.83 35.35 1fhi s LYS 11 CO 0.03 -0.34 1.92 -1.35 -0.92 0.00 0.00 175.35 174.69 1fhi h PRO 12 N 2.26 0.87 -0.68 -1.68 0.11 -1.92 0.14 132.00 131.11 1fhi h PRO 12 Ca -0.49 -0.05 0.20 0.00 0.11 0.00 0.00 66.00 65.77 1fhi h PRO 12 Cb 1.23 -0.20 -0.03 0.00 0.11 0.00 0.00 31.00 32.12 1fhi h PRO 12 CO 0.61 0.58 0.67 0.77 -0.21 0.00 0.00 178.00 180.42 1fhi h SER 13 N 0.90 0.00 0.00 -2.05 0.02 -1.97 0.41 113.55 110.85 1fhi h SER 13 Ca 0.38 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.33 1fhi h SER 13 Cb 0.30 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.84 1fhi h SER 13 CO -0.15 0.00 -1.42 0.52 -1.14 0.00 0.00 176.83 174.64 1fhi n VAL 14 N -3.71 0.00 -2.90 2.27 0.31 0.47 -4.35 118.33 110.42 1fhi n VAL 14 Ca 0.14 -0.23 -0.41 0.00 -0.01 0.00 0.00 64.34 63.83 1fhi n VAL 14 Cb 0.91 0.56 -0.04 0.00 -0.91 0.00 0.00 33.84 34.36 1fhi n VAL 14 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 1fhi s VAL 15 N -3.18 4.88 -1.55 2.52 1.01 0.14 -2.87 120.40 121.34 1fhi s VAL 15 Ca 0.01 1.59 0.15 0.00 0.00 0.00 0.00 61.98 63.74 1fhi s VAL 15 Cb 0.15 -4.12 0.03 0.00 0.00 0.00 0.00 36.38 32.44 1fhi s VAL 15 CO 0.86 0.01 0.87 2.22 0.00 0.00 0.00 175.10 179.06 1fhi n PHE 16 N 5.42 0.00 -3.66 5.22 1.16 -0.88 -4.92 117.46 119.80 1fhi n PHE 16 Ca 0.04 0.00 -0.15 0.00 -1.87 0.00 0.00 57.45 55.47 1fhi n PHE 16 Cb 0.48 0.00 -0.08 0.00 -1.61 0.00 0.00 39.48 38.28 1fhi n PHE 16 CO 0.00 0.00 0.00 -1.17 -1.87 0.00 0.00 176.76 173.72 1fhi s LEU 17 N -1.79 0.10 -0.25 5.98 2.96 -1.23 -4.28 118.68 120.17 1fhi s LEU 17 Ca 0.14 0.53 -0.10 0.00 -0.22 0.00 0.00 54.13 54.49 1fhi s LEU 17 Cb 0.12 1.86 0.10 0.00 0.50 0.00 0.00 46.19 48.77 1fhi s LEU 17 CO 0.33 -0.45 0.56 -0.75 -1.32 0.00 0.00 176.35 174.72 1fhi s LYS 18 N -0.92 0.50 0.00 1.98 2.20 -1.26 -1.22 119.74 121.02 1fhi s LYS 18 Ca -0.10 1.21 0.00 0.00 -0.36 0.00 0.00 55.97 56.72 1fhi s LYS 18 Cb -0.03 0.48 0.00 0.00 -1.51 0.00 0.00 37.83 36.77 1fhi s LYS 18 CO 0.06 -0.20 0.00 2.41 -0.36 0.00 0.00 175.35 177.25 1fhi n THR 19 N 5.10 0.00 0.15 3.43 -1.04 0.21 -4.96 114.28 117.17 1fhi n THR 19 Ca -0.14 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.87 1fhi n THR 19 Cb 0.52 -0.60 0.25 0.00 -1.82 0.00 0.00 70.33 68.68 1fhi n THR 19 CO 0.00 0.00 0.00 1.05 -0.64 0.00 0.00 175.07 175.48 1fhi h GLU 20 N 0.00 0.03 0.00 -2.82 4.11 -2.02 -3.34 114.58 110.55 1fhi h GLU 20 Ca 0.00 -0.02 0.00 0.00 0.07 0.00 0.00 59.36 59.41 1fhi h GLU 20 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 1fhi h GLU 20 CO 0.00 0.52 0.00 1.28 0.07 0.00 0.00 179.01 180.88 1fhi n LEU 21 N -3.94 0.19 -4.41 3.06 4.77 -1.26 -5.00 117.00 110.40 1fhi n LEU 21 Ca -0.02 -0.41 -0.21 0.00 -0.03 0.00 0.00 56.01 55.35 1fhi n LEU 21 Cb 0.52 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.51 1fhi n LEU 21 CO 0.41 0.05 -0.24 -0.44 -1.33 0.00 0.00 177.39 175.84 1fhi s SER 22 N -0.44 2.03 -0.09 -1.43 0.01 -1.25 -0.12 113.70 112.41 1fhi s SER 22 Ca 0.00 -1.48 -0.24 0.00 1.31 0.00 0.00 55.95 55.54 1fhi s SER 22 Cb 0.00 0.19 0.06 0.00 0.21 0.00 0.00 66.02 66.48 1fhi s SER 22 CO 0.00 -0.76 0.57 0.72 0.41 0.00 0.00 173.24 174.18 1fhi s PHE 23 N -3.44 -0.55 0.10 2.43 -0.71 -1.13 0.63 117.98 115.31 1fhi s PHE 23 Ca 0.34 1.06 0.09 0.00 -1.04 0.00 0.00 56.93 57.38 1fhi s PHE 23 Cb 0.06 0.28 -0.03 0.00 -1.21 0.00 0.00 43.02 42.12 1fhi s PHE 23 CO 0.15 -0.48 -0.24 0.00 -1.34 0.00 0.00 175.22 173.31 1fhi s ALA 24 N -0.80 2.10 0.33 1.99 0.00 -0.35 -2.04 121.76 122.98 1fhi s ALA 24 Ca -0.09 -1.32 -0.07 0.00 0.00 0.00 0.00 51.96 50.48 1fhi s ALA 24 Cb -0.02 -0.35 0.01 0.00 0.00 0.00 0.00 23.12 22.76 1fhi s ALA 24 CO 0.06 0.46 0.52 -0.48 0.00 0.00 0.00 175.76 176.33 1fhi s LEU 25 N -1.79 0.68 0.20 0.00 2.34 -0.79 -2.07 118.68 117.25 1fhi s LEU 25 Ca 0.10 -1.29 0.03 0.00 0.06 0.00 0.00 54.13 53.03 1fhi s LEU 25 Cb -0.10 1.76 -0.03 0.00 -0.56 0.00 0.00 46.19 47.26 1fhi s LEU 25 CO 0.04 -1.32 0.34 0.68 -1.06 0.00 0.00 176.35 175.03 1fhi s VAL 26 N -3.17 5.28 0.18 1.48 -7.23 -1.14 -1.88 120.40 113.92 1fhi s VAL 26 Ca 0.26 -0.79 -0.18 0.00 -1.81 0.00 0.00 61.98 59.46 1fhi s VAL 26 Cb -0.01 -3.80 -0.08 0.00 0.56 0.00 0.00 36.38 33.05 1fhi s VAL 26 CO 0.16 -0.22 0.66 0.20 -0.31 0.00 0.00 175.10 175.59 1fhi s ASN 27 N -3.60 7.00 0.12 4.85 0.02 -1.25 -4.89 114.94 117.20 1fhi s ASN 27 Ca 0.35 1.31 0.09 0.00 -1.02 0.00 0.00 52.86 53.59 1fhi s ASN 27 Cb -0.10 -2.38 -0.18 0.00 0.02 0.00 0.00 41.25 38.62 1fhi s ASN 27 CO 0.29 0.08 1.23 -0.09 0.02 0.00 0.00 177.10 178.63 1fhi h ARG 28 N 3.61 0.00 -2.49 -0.60 9.65 -1.93 -3.37 114.38 119.24 1fhi h ARG 28 Ca -0.48 0.00 -0.60 0.00 -1.10 0.00 0.00 59.98 57.80 1fhi h ARG 28 Cb 1.20 0.00 -0.41 0.00 -1.39 0.00 0.00 29.97 29.37 1fhi h ARG 28 CO 0.65 0.87 -0.75 1.63 2.80 0.00 0.00 179.97 185.17 1fhi n LYS 29 N -3.29 1.54 -1.99 0.20 5.02 -1.26 -2.68 118.16 115.69 1fhi n LYS 29 Ca -0.02 -4.08 -0.42 0.00 -2.02 0.00 0.00 58.31 51.77 1fhi n LYS 29 Cb 0.92 -1.98 -0.03 0.00 -0.02 0.00 0.00 35.03 33.93 1fhi n LYS 29 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 1fhi s PRO 30 N -1.44 4.20 0.17 1.97 0.04 -1.26 -4.89 135.00 133.79 1fhi s PRO 30 Ca 0.33 2.23 -0.23 0.00 0.04 0.00 0.00 61.00 63.37 1fhi s PRO 30 Cb 0.07 -3.76 0.07 0.00 0.04 0.00 0.00 34.50 30.92 1fhi s PRO 30 CO -0.12 -0.76 1.60 0.28 0.04 0.00 0.00 177.00 178.04 1fhi h VAL 31 N 5.14 0.23 -3.72 -0.36 2.07 -1.96 -3.43 116.25 114.21 1fhi h VAL 31 Ca -0.41 0.00 -0.30 0.00 0.82 0.00 0.00 66.70 66.81 1fhi h VAL 31 Cb 1.19 0.23 -0.15 0.00 -1.52 0.00 0.00 31.29 31.04 1fhi h VAL 31 CO 0.93 0.00 -0.66 0.68 0.02 0.00 0.00 177.57 178.55 1fhi s VAL 32 N -6.00 0.70 0.21 2.57 -7.23 -1.26 -5.08 120.40 104.32 1fhi s VAL 32 Ca -0.15 -1.99 -0.30 0.00 -1.81 0.00 0.00 61.98 57.73 1fhi s VAL 32 Cb 0.14 -2.20 -0.09 0.00 0.56 0.00 0.00 36.38 34.78 1fhi s VAL 32 CO 0.68 -0.40 1.35 -2.84 -0.31 0.00 0.00 175.10 173.58 1fhi s PRO 33 N -3.92 4.35 0.00 4.82 0.02 -1.26 -2.28 135.00 136.73 1fhi s PRO 33 Ca 0.26 2.13 0.00 0.00 0.02 0.00 0.00 61.00 63.41 1fhi s PRO 33 Cb 0.06 -3.17 0.00 0.00 0.02 0.00 0.00 34.50 31.41 1fhi s PRO 33 CO 0.06 -0.31 0.00 0.41 -0.33 0.00 0.00 177.00 176.83 1fhi n GLY 34 N 2.33 0.46 3.63 0.52 0.00 -1.26 -4.40 105.19 106.48 1fhi n GLY 34 Ca 0.06 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.66 1fhi n GLY 34 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1fhi s HIS 35 N -2.00 1.68 0.01 1.61 5.04 -0.96 -4.30 115.29 116.37 1fhi s HIS 35 Ca 0.00 0.29 -0.02 0.00 -1.54 0.00 0.00 55.06 53.79 1fhi s HIS 35 Cb 0.00 -4.03 -0.01 0.00 0.04 0.00 0.00 32.58 28.58 1fhi s HIS 35 CO 0.00 -3.88 0.02 0.14 -2.34 0.00 0.00 174.74 168.68 1fhi s VAL 36 N 5.72 0.10 0.30 0.89 -7.23 -0.37 -3.84 120.40 115.97 1fhi s VAL 36 Ca 0.82 -0.80 0.07 0.00 -1.81 0.00 0.00 61.98 60.27 1fhi s VAL 36 Cb -0.31 -0.30 -0.03 0.00 0.56 0.00 0.00 36.38 36.30 1fhi s VAL 36 CO 0.34 -0.44 0.23 -0.76 -0.31 0.00 0.00 175.10 174.16 1fhi s LEU 37 N -1.36 3.66 -0.10 1.32 1.43 -0.79 -1.31 118.68 121.54 1fhi s LEU 37 Ca -0.15 -0.41 -0.03 0.00 -1.03 0.00 0.00 54.13 52.51 1fhi s LEU 37 Cb -0.09 -2.23 0.04 0.00 0.03 0.00 0.00 46.19 43.95 1fhi s LEU 37 CO -0.00 -0.20 0.07 -0.69 0.23 0.00 0.00 176.35 175.76 1fhi s VAL 38 N -2.24 -0.10 0.12 -1.59 1.01 -0.75 -1.88 120.40 114.97 1fhi s VAL 38 Ca 0.37 0.18 0.08 0.00 0.00 0.00 0.00 61.98 62.60 1fhi s VAL 38 Cb -0.07 -0.33 -0.04 0.00 0.00 0.00 0.00 36.38 35.94 1fhi s VAL 38 CO 0.25 -0.01 -0.19 0.00 0.00 0.00 0.00 175.10 175.15 1fhi s PRO 40 N -2.24 2.30 0.05 0.00 0.04 -1.24 -2.86 135.00 131.05 1fhi s PRO 40 Ca 0.09 1.82 -0.24 0.00 0.04 0.00 0.00 61.00 62.71 1fhi s PRO 40 Cb -0.08 -1.85 -0.16 0.00 0.04 0.00 0.00 34.50 32.45 1fhi s PRO 40 CO 0.05 -1.72 1.54 -0.07 0.04 0.00 0.00 177.00 176.83 1fhi h LEU 41 N -0.02 0.05 -9.90 -3.56 3.38 -0.82 -3.42 115.31 101.03 1fhi h LEU 41 Ca -0.49 -0.22 -0.53 0.00 0.09 0.00 0.00 57.88 56.74 1fhi h LEU 41 Cb 1.30 -0.01 0.08 0.00 0.09 0.00 0.00 40.66 42.12 1fhi h LEU 41 CO 0.51 0.25 0.71 -0.60 0.09 0.00 0.00 178.44 179.40 1fhi s ARG 42 N -5.33 4.25 -0.79 1.13 3.52 -1.26 -4.80 118.95 115.66 1fhi s ARG 42 Ca -0.14 2.37 -0.05 0.00 -0.13 0.00 0.00 55.73 57.78 1fhi s ARG 42 Cb 0.05 -3.03 0.05 0.00 -1.56 0.00 0.00 34.95 30.46 1fhi s ARG 42 CO 0.67 -0.35 2.70 -0.35 -0.81 0.00 0.00 175.30 177.16 1fhi n PRO 43 N 0.79 3.26 -2.79 5.12 -0.04 -1.26 -4.88 135.00 135.20 1fhi n PRO 43 Ca 0.01 -2.67 -0.35 0.00 -0.04 0.00 0.00 63.50 60.46 1fhi n PRO 43 Cb 0.41 -2.34 -0.07 0.00 -0.04 0.00 0.00 33.50 31.46 1fhi n PRO 43 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 1fhi s VAL 44 N -1.44 4.29 -0.10 0.52 -7.23 -1.26 -4.95 120.40 110.24 1fhi s VAL 44 Ca 0.58 1.60 0.15 0.00 -1.81 0.00 0.00 61.98 62.50 1fhi s VAL 44 Cb 0.30 -3.74 -0.13 0.00 0.56 0.00 0.00 36.38 33.37 1fhi s VAL 44 CO -0.15 -0.14 0.93 -0.08 -0.31 0.00 0.00 175.10 175.34 1fhi h GLU 45 N 2.37 0.00 -5.55 4.82 4.81 -1.92 -2.72 114.58 116.39 1fhi h GLU 45 Ca -0.48 0.00 -0.48 0.00 -0.13 0.00 0.00 59.36 58.27 1fhi h GLU 45 Cb 1.19 0.00 -0.24 0.00 0.63 0.00 0.00 28.75 30.33 1fhi h GLU 45 CO 0.62 0.41 -0.80 1.03 -0.73 0.00 0.00 179.01 179.54 1fhi s ARG 46 N -2.86 1.02 0.09 1.92 0.52 -1.26 -4.20 118.95 114.17 1fhi s ARG 46 Ca -0.02 -0.87 -0.19 0.00 -0.52 0.00 0.00 55.73 54.13 1fhi s ARG 46 Cb 0.08 -1.07 -0.05 0.00 0.52 0.00 0.00 34.95 34.43 1fhi s ARG 46 CO 0.80 0.26 1.33 0.35 0.02 0.00 0.00 175.30 178.07 1fhi h PHE 47 N 4.71 -1.10 0.00 -0.53 3.57 -1.95 0.06 116.94 121.70 1fhi h PHE 47 Ca -0.40 0.07 0.00 0.00 3.53 0.00 0.00 57.97 61.16 1fhi h PHE 47 Cb 1.18 0.54 0.00 0.00 2.79 0.00 0.00 35.95 40.46 1fhi h PHE 47 CO 0.55 -0.26 0.00 -2.39 -2.23 0.00 0.00 178.31 173.99 1fhi n HIS 48 N -4.35 0.00 -0.02 0.41 1.44 -1.26 -1.02 115.22 110.42 1fhi n HIS 48 Ca -0.00 0.00 -0.11 0.00 -2.01 0.00 0.00 57.72 55.60 1fhi n HIS 48 Cb 0.18 -0.00 -0.14 0.00 0.12 0.00 0.00 29.99 30.14 1fhi n HIS 48 CO 0.00 0.00 0.00 -3.47 -2.81 0.00 0.00 176.34 170.06 1fhi n ASP 49 N -0.81 1.02 -4.76 4.39 -0.08 0.01 -4.89 116.55 111.42 1fhi n ASP 49 Ca 0.00 0.35 -0.40 0.00 -1.51 0.00 0.00 54.79 53.22 1fhi n ASP 49 Cb 0.00 -0.12 -0.03 0.00 2.34 0.00 0.00 41.12 43.31 1fhi n ASP 49 CO 0.00 0.00 0.00 -0.76 0.12 0.00 0.00 177.20 176.56 1fhi s LEU 50 N -6.20 4.47 1.22 -2.67 1.43 -0.19 -5.01 118.68 111.74 1fhi s LEU 50 Ca -0.08 2.42 -0.18 0.00 -1.03 0.00 0.00 54.13 55.26 1fhi s LEU 50 Cb 0.08 -3.68 0.27 0.00 0.03 0.00 0.00 46.19 42.89 1fhi s LEU 50 CO 0.81 -0.34 0.61 0.54 0.23 0.00 0.00 176.35 178.21 1fhi n ARG 51 N 0.92 -3.48 0.09 1.70 1.74 -1.26 -4.81 116.66 111.57 1fhi n ARG 51 Ca -0.00 -1.03 0.13 0.00 -0.77 0.00 0.00 57.85 56.18 1fhi n ARG 51 Cb 0.44 -1.70 0.36 0.00 -1.02 0.00 0.00 32.46 30.54 1fhi n ARG 51 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 1fhi n PRO 52 N -3.71 0.25 -0.00 5.56 -0.04 -1.26 -3.13 135.00 132.66 1fhi n PRO 52 Ca 0.09 0.17 -0.02 0.00 -0.04 0.00 0.00 63.50 63.70 1fhi n PRO 52 Cb 0.46 -1.76 -0.01 0.00 -0.04 0.00 0.00 33.50 32.15 1fhi n PRO 52 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 1fhi h ASP 53 N 0.00 -0.10 0.00 3.54 5.19 -2.01 -3.16 116.42 119.89 1fhi h ASP 53 Ca 0.00 -0.04 0.00 0.00 -0.62 0.00 0.00 57.03 56.37 1fhi h ASP 53 Cb 0.72 0.02 0.00 0.00 0.18 0.00 0.00 39.33 40.26 1fhi h ASP 53 CO 0.00 0.41 0.00 -0.62 -3.12 0.00 0.00 179.24 175.91 1fhi n GLU 54 N -4.85 0.13 -0.03 3.56 1.02 -1.24 -0.09 120.64 119.14 1fhi n GLU 54 Ca -0.02 0.00 0.01 0.00 -0.02 0.00 0.00 57.16 57.13 1fhi n GLU 54 Cb 0.06 -1.05 -0.11 0.00 -0.02 0.00 0.00 31.44 30.32 1fhi n GLU 54 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 1fhi n VAL 55 N -0.55 0.42 -0.06 2.62 0.31 -1.18 -3.88 118.33 116.00 1fhi n VAL 55 Ca 0.00 -0.43 -0.16 0.00 -0.01 0.00 0.00 64.34 63.75 1fhi n VAL 55 Cb 0.00 -0.21 -0.13 0.00 -0.91 0.00 0.00 33.84 32.59 1fhi n VAL 55 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1fhi h ALA 56 N 0.97 0.02 0.33 3.52 0.00 -0.47 -3.25 119.26 120.39 1fhi h ALA 56 Ca -0.16 -0.61 0.00 0.00 0.00 0.00 0.00 54.91 54.13 1fhi h ALA 56 Cb 1.18 0.10 -0.03 0.00 0.00 0.00 0.00 17.79 19.04 1fhi h ALA 56 CO 0.01 0.14 -0.42 0.22 0.00 0.00 0.00 179.25 179.20 1fhi h ASP 57 N -0.91 -1.18 -1.04 0.00 3.58 -1.62 0.50 116.42 115.75 1fhi h ASP 57 Ca -0.06 0.11 0.27 0.00 0.42 0.00 0.00 57.03 57.76 1fhi h ASP 57 Cb 1.13 0.41 -0.10 0.00 1.72 0.00 0.00 39.33 42.49 1fhi h ASP 57 CO -0.00 -0.55 0.66 0.25 -2.88 0.00 0.00 179.24 176.72 1fhi h LEU 58 N -0.80 0.48 0.00 2.28 5.85 -1.73 0.15 115.31 121.54 1fhi h LEU 58 Ca -0.02 0.09 -0.01 0.00 0.84 0.00 0.00 57.88 58.78 1fhi h LEU 58 Cb 0.74 0.02 -0.00 0.00 0.37 0.00 0.00 40.66 41.78 1fhi h LEU 58 CO -0.12 0.08 -1.19 0.49 -0.34 0.00 0.00 178.44 177.37 1fhi n PHE 59 N -4.67 0.83 -0.02 1.25 3.72 -0.75 -1.35 117.46 116.47 1fhi n PHE 59 Ca 0.26 0.24 -0.16 0.00 -0.05 0.00 0.00 57.45 57.74 1fhi n PHE 59 Cb 0.87 -0.90 -0.10 0.00 -0.94 0.00 0.00 39.48 38.40 1fhi n PHE 59 CO 0.00 0.00 0.00 1.96 -0.05 0.00 0.00 176.76 178.67 1fhi h GLN 60 N 0.00 0.31 0.45 -1.08 4.20 0.10 -2.11 115.11 116.98 1fhi h GLN 60 Ca -0.02 -0.30 -0.01 0.00 0.06 0.00 0.00 58.65 58.39 1fhi h GLN 60 Cb 1.05 0.08 -0.03 0.00 0.30 0.00 0.00 27.48 28.88 1fhi h GLN 60 CO 0.00 0.98 -0.50 1.15 -0.67 0.00 0.00 178.83 179.78 1fhi h THR 61 N -0.24 0.02 -0.92 -0.54 2.02 -0.84 -1.16 112.91 111.25 1fhi h THR 61 Ca -0.04 0.00 0.19 0.00 0.77 0.00 0.00 66.41 67.33 1fhi h THR 61 Cb 1.09 0.02 -0.17 0.00 -1.74 0.00 0.00 68.15 67.35 1fhi h THR 61 CO 0.08 0.00 -0.20 0.74 0.37 0.00 0.00 175.52 176.51 1fhi h THR 62 N -0.97 0.08 -0.83 3.16 2.02 -1.26 0.53 112.91 115.65 1fhi h THR 62 Ca -0.05 -0.00 0.12 0.00 0.77 0.00 0.00 66.41 67.25 1fhi h THR 62 Cb 0.86 0.08 -0.14 0.00 -1.74 0.00 0.00 68.15 67.21 1fhi h THR 62 CO -0.09 0.00 -0.40 -0.61 0.37 0.00 0.00 175.52 174.79 1fhi h GLN 63 N 0.00 -0.08 0.00 6.66 4.15 -0.50 0.29 115.11 125.65 1fhi h GLN 63 Ca 0.46 0.01 0.00 0.00 0.77 0.00 0.00 58.65 59.88 1fhi h GLN 63 Cb 0.73 0.02 0.00 0.00 0.21 0.00 0.00 27.48 28.43 1fhi h GLN 63 CO -0.94 -0.05 0.00 0.54 -1.93 0.00 0.00 178.83 176.45 1fhi n ARG 64 N -5.43 0.00 -0.08 1.69 1.74 0.18 -2.28 116.66 112.47 1fhi n ARG 64 Ca 0.07 0.27 0.16 0.00 -0.77 0.00 0.00 57.85 57.58 1fhi n ARG 64 Cb 0.37 -1.26 0.24 0.00 -1.02 0.00 0.00 32.46 30.80 1fhi n ARG 64 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 1fhi n VAL 65 N -1.32 0.00 0.07 1.55 0.31 -0.52 0.30 118.33 118.72 1fhi n VAL 65 Ca 0.00 0.83 -0.21 0.00 -0.01 0.00 0.00 64.34 64.94 1fhi n VAL 65 Cb 0.00 -1.51 -0.15 0.00 -0.91 0.00 0.00 33.84 31.27 1fhi n VAL 65 CO 0.00 0.00 0.00 1.23 -1.32 0.00 0.00 176.83 176.74 1fhi h GLY 66 N 0.00 0.41 2.00 2.92 0.00 -0.05 -3.10 103.07 105.26 1fhi h GLY 66 Ca 0.28 -1.05 0.00 0.00 0.00 0.00 0.00 47.33 46.55 1fhi h GLY 66 CO -0.00 0.92 0.00 0.00 0.00 0.00 0.00 176.54 177.46 1fhi h THR 67 N -0.24 0.00 -0.01 4.70 1.03 0.49 -1.90 112.91 116.99 1fhi h THR 67 Ca -0.18 -0.77 0.00 0.00 -0.01 0.00 0.00 66.41 65.45 1fhi h THR 67 Cb 1.79 1.75 0.00 0.00 -1.07 0.00 0.00 68.15 70.62 1fhi h THR 67 CO 0.18 0.00 -0.43 0.52 -0.01 0.00 0.00 175.52 175.78 1fhi n VAL 68 N -2.87 0.00 -0.03 0.00 0.31 -0.51 -3.67 118.33 111.57 1fhi n VAL 68 Ca 0.04 -0.12 -0.03 0.00 -0.01 0.00 0.00 64.34 64.22 1fhi n VAL 68 Cb 0.46 0.62 -0.05 0.00 -0.91 0.00 0.00 33.84 33.96 1fhi n VAL 68 CO 0.00 0.00 0.00 0.52 -1.32 0.00 0.00 176.83 176.03 1fhi n VAL 69 N -0.77 0.41 0.19 2.52 0.31 -1.17 -3.83 118.33 115.99 1fhi n VAL 69 Ca 0.09 -0.24 0.07 0.00 -0.01 0.00 0.00 64.34 64.25 1fhi n VAL 69 Cb 0.37 -0.84 0.34 0.00 -0.91 0.00 0.00 33.84 32.81 1fhi n VAL 69 CO 0.00 0.00 0.00 -0.08 -1.32 0.00 0.00 176.83 175.43 1fhi h GLU 70 N 0.00 0.00 0.26 5.55 4.81 -1.53 -2.49 114.58 121.18 1fhi h GLU 70 Ca -0.16 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.06 1fhi h GLU 70 Cb 1.35 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.73 1fhi h GLU 70 CO 0.01 0.33 -0.12 -0.22 -0.73 0.00 0.00 179.01 178.27 1fhi h LYS 71 N 0.00 -0.33 0.00 1.92 3.64 -1.78 0.44 116.57 120.46 1fhi h LYS 71 Ca -0.00 0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.40 1fhi h LYS 71 Cb 0.90 0.08 0.00 0.00 -0.41 0.00 0.00 32.23 32.80 1fhi h LYS 71 CO 0.04 -0.22 0.00 1.58 -2.27 0.00 0.00 179.45 178.58 1fhi n HIS 72 N -4.81 0.00 -0.01 1.91 -0.00 -1.22 -2.17 115.22 108.92 1fhi n HIS 72 Ca -0.04 0.00 0.01 0.00 0.46 0.00 0.00 57.72 58.14 1fhi n HIS 72 Cb 0.14 -0.43 0.02 0.00 -0.12 0.00 0.00 29.99 29.59 1fhi n HIS 72 CO 0.00 0.00 0.00 1.19 0.46 0.00 0.00 176.34 177.99 1fhi n PHE 73 N -1.43 0.05 -3.32 1.57 3.01 -0.94 -5.01 117.46 111.40 1fhi n PHE 73 Ca 0.03 -0.41 -0.18 0.00 1.01 0.00 0.00 57.45 57.90 1fhi n PHE 73 Cb 0.10 -0.04 0.06 0.00 -0.01 0.00 0.00 39.48 39.60 1fhi n PHE 73 CO 0.00 0.00 0.00 0.72 1.01 0.00 0.00 176.76 178.49 1fhi n HIS 74 N -0.28 -2.17 -2.23 1.38 8.25 -0.92 -5.03 115.22 114.22 1fhi n HIS 74 Ca 0.01 0.79 -0.27 0.00 -0.26 0.00 0.00 57.72 57.99 1fhi n HIS 74 Cb 0.23 -4.22 0.04 0.00 1.12 0.00 0.00 29.99 27.16 1fhi n HIS 74 CO 0.00 0.00 0.00 0.20 0.64 0.00 0.00 176.34 177.18 1fhi s GLY 75 N -3.40 1.63 0.00 -1.41 0.00 0.15 -4.81 107.32 99.47 1fhi s GLY 75 Ca 0.38 -0.67 0.02 0.00 0.00 0.00 0.00 44.72 44.45 1fhi s GLY 75 CO 0.57 -0.33 0.96 -0.37 0.00 0.00 0.00 173.10 173.93 1fhi n THR 76 N -2.77 0.80 0.00 0.90 5.66 0.94 -4.79 114.28 115.02 1fhi n THR 76 Ca 0.06 -0.90 0.00 0.00 -3.05 0.00 0.00 64.05 60.16 1fhi n THR 76 Cb 0.58 0.61 0.00 0.00 -1.55 0.00 0.00 70.33 69.97 1fhi n THR 76 CO 0.00 0.00 0.00 -1.54 -3.05 0.00 0.00 175.07 170.48 1fhi n SER 77 N -0.20 0.00 -4.43 1.09 3.41 -1.24 -5.02 113.62 107.23 1fhi n SER 77 Ca 0.02 0.00 -0.23 0.00 -0.26 0.00 0.00 58.87 58.41 1fhi n SER 77 Cb 0.24 0.00 -0.10 0.00 -0.26 0.00 0.00 64.21 64.09 1fhi n SER 77 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1fhi s LEU 78 N 0.00 2.19 -0.15 1.04 1.02 -1.26 0.79 118.68 122.31 1fhi s LEU 78 Ca 0.00 -1.42 -0.01 0.00 0.02 0.00 0.00 54.13 52.72 1fhi s LEU 78 Cb 0.00 -0.39 0.04 0.00 0.02 0.00 0.00 46.19 45.86 1fhi s LEU 78 CO 0.00 -0.65 -0.05 0.28 0.02 0.00 0.00 176.35 175.95 1fhi s THR 79 N -3.25 1.03 -0.01 5.49 -1.32 -0.86 -4.91 115.64 111.81 1fhi s THR 79 Ca 0.34 -0.50 0.01 0.00 -1.21 0.00 0.00 61.69 60.34 1fhi s THR 79 Cb 0.08 -1.17 -0.04 0.00 -1.51 0.00 0.00 72.50 69.86 1fhi s THR 79 CO 0.15 0.19 0.00 -0.36 -2.21 0.00 0.00 174.62 172.39 1fhi s PHE 80 N 1.68 3.08 -0.30 9.09 0.40 -1.26 -2.74 117.98 127.93 1fhi s PHE 80 Ca 0.02 0.09 -0.10 0.00 -0.60 0.00 0.00 56.93 56.34 1fhi s PHE 80 Cb -0.14 -1.68 0.16 0.00 0.51 0.00 0.00 43.02 41.87 1fhi s PHE 80 CO -0.08 0.46 0.78 0.45 0.70 0.00 0.00 175.22 177.54 1fhi s SER 81 N -1.51 -0.95 -0.24 1.36 0.15 -1.05 -4.99 113.70 106.47 1fhi s SER 81 Ca 0.19 1.07 -0.16 0.00 0.70 0.00 0.00 55.95 57.75 1fhi s SER 81 Cb -0.11 1.99 -0.04 0.00 -1.71 0.00 0.00 66.02 66.15 1fhi s SER 81 CO 0.10 -0.18 0.42 -0.32 1.20 0.00 0.00 173.24 174.45 1fhi s MET 82 N 2.76 4.10 -0.87 5.44 1.75 -1.26 -3.20 119.30 128.02 1fhi s MET 82 Ca 0.01 0.18 -0.16 0.00 -1.25 0.00 0.00 55.69 54.47 1fhi s MET 82 Cb -0.11 -3.60 0.18 0.00 2.84 0.00 0.00 34.83 34.15 1fhi s MET 82 CO -0.18 -0.18 0.93 -0.65 -0.65 0.00 0.00 175.02 174.28 1fhi s GLN 83 N 1.77 3.60 -0.32 4.11 1.11 -1.26 -5.01 119.66 123.66 1fhi s GLN 83 Ca 0.18 -2.15 -0.15 0.00 0.01 0.00 0.00 55.36 53.25 1fhi s GLN 83 Cb -0.15 -4.65 -0.02 0.00 -1.01 0.00 0.00 33.01 27.18 1fhi s GLN 83 CO 0.09 -1.51 0.39 0.34 0.01 0.00 0.00 175.29 174.61 1fhi s ASP 84 N 2.82 6.23 0.00 5.90 2.15 -1.26 -4.18 116.67 128.32 1fhi s ASP 84 Ca 0.24 0.00 0.00 0.00 0.43 0.00 0.00 52.55 53.23 1fhi s ASP 84 Cb -0.08 -2.21 0.00 0.00 -0.30 0.00 0.00 42.92 40.33 1fhi s ASP 84 CO -0.09 -0.30 0.00 0.61 -0.17 0.00 0.00 175.17 175.22 1fhi n GLY 85 N 4.83 0.90 0.23 2.66 0.00 -1.26 -4.31 105.19 108.24 1fhi n GLY 85 Ca -0.08 -1.67 0.11 0.00 0.00 0.00 0.00 46.02 44.38 1fhi n GLY 85 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1fhi h PRO 86 N 0.00 0.00 0.00 1.61 0.11 -1.91 -2.05 132.00 129.76 1fhi h PRO 86 Ca 0.00 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.11 1fhi h PRO 86 Cb 0.00 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.11 1fhi h PRO 86 CO 0.00 0.18 0.00 0.39 -0.21 0.00 0.00 178.00 178.36 1fhi n GLU 87 N -3.29 0.05 0.05 1.05 4.71 -1.26 -1.88 120.64 120.07 1fhi n GLU 87 Ca 0.01 0.11 0.05 0.00 -0.01 0.00 0.00 57.16 57.31 1fhi n GLU 87 Cb 0.43 -1.50 -0.06 0.00 -1.01 0.00 0.00 31.44 29.30 1fhi n GLU 87 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1fhi n ALA 88 N -1.47 2.19 0.00 0.62 0.00 -0.79 -4.97 120.51 116.10 1fhi n ALA 88 Ca 0.06 -0.44 0.00 0.00 0.00 0.00 0.00 53.44 53.06 1fhi n ALA 88 Cb 0.25 -0.98 0.00 0.00 0.00 0.00 0.00 19.45 18.72 1fhi n ALA 88 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1fhi n GLY 89 N 1.32 1.39 3.37 0.00 0.00 -0.79 -4.84 105.19 105.64 1fhi n GLY 89 Ca -0.06 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.56 1fhi n GLY 89 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1fhi n GLN 90 N -0.05 0.29 0.00 1.61 7.27 -1.11 -4.91 117.38 120.49 1fhi n GLN 90 Ca 0.00 0.11 0.00 0.00 0.07 0.00 0.00 57.00 57.18 1fhi n GLN 90 Cb 0.00 -1.32 0.00 0.00 2.41 0.00 0.00 30.24 31.33 1fhi n GLN 90 CO 0.00 0.00 0.00 0.25 0.07 0.00 0.00 177.06 177.38 1fhi n THR 91 N -1.27 0.00 -3.71 1.69 -2.24 -1.26 -4.72 114.28 102.77 1fhi n THR 91 Ca 0.11 0.00 -0.36 0.00 -2.27 0.00 0.00 64.05 61.53 1fhi n THR 91 Cb 0.44 -0.09 -0.07 0.00 -2.10 0.00 0.00 70.33 68.50 1fhi n THR 91 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 1fhi s VAL 92 N -0.92 5.39 -0.49 2.28 1.01 -1.26 -4.97 120.40 121.44 1fhi s VAL 92 Ca 0.00 0.31 -0.06 0.00 0.00 0.00 0.00 61.98 62.24 1fhi s VAL 92 Cb 0.00 -3.50 -0.08 0.00 0.00 0.00 0.00 36.38 32.80 1fhi s VAL 92 CO 0.00 0.49 3.09 2.29 0.00 0.00 0.00 175.10 180.97 1fhi n LYS 93 N 3.01 2.62 -4.20 2.72 0.00 -1.26 -4.83 118.16 116.22 1fhi n LYS 93 Ca -0.16 -1.92 -0.15 0.00 -0.00 0.00 0.00 58.31 56.08 1fhi n LYS 93 Cb 0.53 -2.21 -0.11 0.00 -0.00 0.00 0.00 35.03 33.24 1fhi n LYS 93 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.40 175.82 1fhi s HIS 94 N -0.17 1.14 0.26 5.58 2.46 -1.26 -4.02 115.29 119.28 1fhi s HIS 94 Ca 0.63 -0.66 -0.25 0.00 0.47 0.00 0.00 55.06 55.24 1fhi s HIS 94 Cb 0.32 -0.61 -0.09 0.00 -0.13 0.00 0.00 32.58 32.07 1fhi s HIS 94 CO -0.10 0.03 0.87 0.08 -2.47 0.00 0.00 174.74 173.15 1fhi s VAL 95 N -2.55 4.28 -0.30 0.89 1.01 -1.02 -4.88 120.40 117.82 1fhi s VAL 95 Ca 0.08 1.75 -0.21 0.00 0.00 0.00 0.00 61.98 63.60 1fhi s VAL 95 Cb -0.02 -4.07 0.20 0.00 0.00 0.00 0.00 36.38 32.49 1fhi s VAL 95 CO 0.00 0.29 1.35 -1.38 0.00 0.00 0.00 175.10 175.37 1fhi s HIS 96 N -1.43 -0.08 0.01 5.22 -3.43 -1.26 -3.65 115.29 110.68 1fhi s HIS 96 Ca 0.44 0.17 -0.11 0.00 -0.80 0.00 0.00 55.06 54.77 1fhi s HIS 96 Cb -0.20 0.30 -0.05 0.00 -1.43 0.00 0.00 32.58 31.19 1fhi s HIS 96 CO 0.25 -0.04 0.35 0.08 -2.00 0.00 0.00 174.74 173.39 1fhi s VAL 97 N 0.48 5.15 -0.33 -5.38 1.01 0.16 -4.46 120.40 117.02 1fhi s VAL 97 Ca 0.01 0.53 -0.10 0.00 0.00 0.00 0.00 61.98 62.42 1fhi s VAL 97 Cb -0.04 -3.63 0.01 0.00 0.00 0.00 0.00 36.38 32.72 1fhi s VAL 97 CO -0.13 0.45 0.16 -1.00 0.00 0.00 0.00 175.10 174.58 1fhi s HIS 98 N -1.21 3.20 -0.27 5.22 3.76 -1.19 -1.82 115.29 122.98 1fhi s HIS 98 Ca 0.26 -0.76 -0.08 0.00 -0.15 0.00 0.00 55.06 54.34 1fhi s HIS 98 Cb -0.15 -2.37 -0.02 0.00 1.11 0.00 0.00 32.58 31.15 1fhi s HIS 98 CO 0.14 -0.53 0.09 0.08 -0.85 0.00 0.00 174.74 173.67 1fhi s VAL 99 N 1.58 4.39 -0.07 -0.90 1.01 -0.42 -2.52 120.40 123.46 1fhi s VAL 99 Ca 0.03 -0.25 0.02 0.00 0.00 0.00 0.00 61.98 61.79 1fhi s VAL 99 Cb -0.18 -3.11 0.01 0.00 0.00 0.00 0.00 36.38 33.11 1fhi s VAL 99 CO 0.06 0.26 -0.13 -0.76 0.00 0.00 0.00 175.10 174.53 1fhi s LEU 100 N 1.61 1.66 0.16 3.92 1.02 -1.11 -1.23 118.68 124.72 1fhi s LEU 100 Ca 0.06 -0.32 -0.30 0.00 0.02 0.00 0.00 54.13 53.58 1fhi s LEU 100 Cb -0.16 -0.88 -0.07 0.00 0.02 0.00 0.00 46.19 45.10 1fhi s LEU 100 CO 0.04 0.03 0.96 -2.16 0.02 0.00 0.00 176.35 175.24 1fhi s PRO 101 N 0.71 4.76 0.13 1.29 0.05 -1.26 -2.03 135.00 138.64 1fhi s PRO 101 Ca -0.14 1.48 0.07 0.00 0.05 0.00 0.00 61.00 62.46 1fhi s PRO 101 Cb -0.16 -3.33 -0.04 0.00 0.05 0.00 0.00 34.50 31.02 1fhi s PRO 101 CO 0.03 0.33 -0.06 1.03 0.05 0.00 0.00 177.00 178.39 1fhi s ARG 102 N -0.49 2.26 0.12 4.56 1.81 0.24 -4.89 118.95 122.56 1fhi s ARG 102 Ca 0.45 -1.03 0.04 0.00 -1.72 0.00 0.00 55.73 53.46 1fhi s ARG 102 Cb -0.25 -2.35 -0.04 0.00 -0.45 0.00 0.00 34.95 31.87 1fhi s ARG 102 CO 0.31 0.49 -0.10 0.15 -0.68 0.00 0.00 175.30 175.47 1fhi s LYS 103 N -2.46 0.97 0.98 3.54 1.02 -1.26 -0.04 119.74 122.50 1fhi s LYS 103 Ca 0.24 -1.32 -0.16 0.00 0.02 0.00 0.00 55.97 54.75 1fhi s LYS 103 Cb -0.11 -0.61 -0.08 0.00 -0.52 0.00 0.00 37.83 36.51 1fhi s LYS 103 CO 0.16 0.09 -0.38 0.00 -0.92 0.00 0.00 175.35 174.29 1fhi n ALA 104 N 0.16 -4.46 -0.13 5.17 0.00 -1.26 -3.02 120.51 116.96 1fhi n ALA 104 Ca -0.13 -0.69 0.00 0.00 0.00 0.00 0.00 53.44 52.62 1fhi n ALA 104 Cb 0.59 -1.37 0.00 0.00 0.00 0.00 0.00 19.45 18.67 1fhi n ALA 104 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1fhi n GLY 105 N 2.76 0.00 1.27 0.00 0.00 -1.26 -5.17 105.19 102.78 1fhi n GLY 105 Ca 0.01 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.97 1fhi n GLY 105 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1fhi n ASP 106 N 0.05 0.78 0.00 1.61 5.75 -1.17 -5.29 116.55 118.28 1fhi n ASP 106 Ca 0.00 -1.51 0.00 0.00 -0.01 0.00 0.00 54.79 53.27 1fhi n ASP 106 Cb 0.00 -0.13 0.00 0.00 -1.03 0.00 0.00 41.12 39.96 1fhi n ASP 106 CO 0.00 0.00 0.00 -1.54 -0.11 0.00 0.00 177.20 175.55 1fhi n SER 128 N -2.70 0.00 -4.56 -1.12 3.41 -1.26 -5.09 113.62 102.31 1fhi n SER 128 Ca 0.05 0.00 -0.34 0.00 -0.26 0.00 0.00 58.87 58.31 1fhi n SER 128 Cb 0.20 0.00 0.11 0.00 -0.26 0.00 0.00 64.21 64.25 1fhi n SER 128 CO 0.00 0.00 0.00 1.87 -0.16 0.00 0.00 175.04 176.75 1fhi n TRP 129 N 0.00 0.03 -3.50 7.33 -0.00 -1.25 -4.23 117.44 115.81 1fhi n TRP 129 Ca 0.00 0.35 -0.14 0.00 -0.00 0.00 0.00 57.50 57.71 1fhi n TRP 129 Cb 0.00 -1.98 -0.04 0.00 -0.00 0.00 0.00 31.31 29.29 1fhi n TRP 129 CO 0.00 0.00 0.00 -0.98 -0.00 0.00 0.00 177.69 176.71 1fhi s ARG 130 N -3.53 1.00 0.91 5.87 1.70 -1.09 -4.99 118.95 118.81 1fhi s ARG 130 Ca 0.68 -0.01 -0.10 0.00 -0.47 0.00 0.00 55.73 55.82 1fhi s ARG 130 Cb -0.30 0.47 0.14 0.00 -0.57 0.00 0.00 34.95 34.69 1fhi s ARG 130 CO 0.56 -0.36 1.13 0.45 -1.08 0.00 0.00 175.30 176.00 1fhi s SER 131 N -1.72 3.01 0.18 -2.89 0.15 -1.26 -4.81 113.70 106.35 1fhi s SER 131 Ca -0.04 2.08 -0.13 0.00 0.70 0.00 0.00 55.95 58.56 1fhi s SER 131 Cb -0.00 -2.54 0.08 0.00 -1.71 0.00 0.00 66.02 61.85 1fhi s SER 131 CO 0.00 -3.03 1.81 -0.33 1.20 0.00 0.00 173.24 172.89 1fhi h GLU 132 N -1.82 0.80 -0.58 5.44 5.08 -2.01 -0.11 114.58 121.39 1fhi h GLU 132 Ca -0.44 -0.08 0.03 0.00 -1.00 0.00 0.00 59.36 57.87 1fhi h GLU 132 Cb 1.27 -0.17 -0.04 0.00 0.50 0.00 0.00 28.75 30.31 1fhi h GLU 132 CO 0.44 0.59 0.34 0.93 -1.00 0.00 0.00 179.01 180.31 1fhi h GLU 133 N 0.79 0.65 -0.05 2.33 5.08 -1.97 1.08 114.58 122.48 1fhi h GLU 133 Ca 0.21 -0.04 -0.08 0.00 -1.00 0.00 0.00 59.36 58.45 1fhi h GLU 133 Cb 0.00 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.09 1fhi h GLU 133 CO -0.04 0.43 -0.33 1.05 -1.00 0.00 0.00 179.01 179.12 1fhi h GLU 134 N 0.66 0.09 -0.13 2.33 9.09 -1.79 -1.29 114.58 123.55 1fhi h GLU 134 Ca 0.24 -0.03 -0.21 0.00 0.05 0.00 0.00 59.36 59.41 1fhi h GLU 134 Cb 0.06 -0.01 0.01 0.00 -1.65 0.00 0.00 28.75 27.16 1fhi h GLU 134 CO -0.12 0.41 -0.77 0.52 0.05 0.00 0.00 179.01 179.10 1fhi h MET 135 N 0.08 0.67 0.00 1.06 2.07 0.40 -2.26 114.93 116.95 1fhi h MET 135 Ca 0.01 -0.55 -0.02 0.00 -2.07 0.00 0.00 59.70 57.07 1fhi h MET 135 Cb 0.62 0.12 -0.00 0.00 -1.87 0.00 0.00 31.60 30.46 1fhi h MET 135 CO 0.05 1.17 -0.10 0.00 1.07 0.00 0.00 176.91 179.09 1fhi h ALA 136 N 0.68 1.52 0.06 6.32 0.00 0.21 -0.65 119.26 127.39 1fhi h ALA 136 Ca -0.05 -0.09 -0.00 0.00 0.00 0.00 0.00 54.91 54.77 1fhi h ALA 136 Cb 1.38 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.16 1fhi h ALA 136 CO 0.15 0.12 -0.03 0.00 0.00 0.00 0.00 179.25 179.49 1fhi h ALA 137 N 1.90 -0.08 -0.90 0.00 0.00 -1.04 -1.55 119.26 117.59 1fhi h ALA 137 Ca -0.00 -0.22 0.21 0.00 0.00 0.00 0.00 54.91 54.90 1fhi h ALA 137 Cb 0.22 0.03 -0.12 0.00 0.00 0.00 0.00 17.79 17.92 1fhi h ALA 137 CO 0.01 -0.10 0.43 1.49 0.00 0.00 0.00 179.25 181.08 1fhi h GLU 138 N -0.97 0.45 -0.11 0.00 4.81 -1.14 0.89 114.58 118.51 1fhi h GLU 138 Ca -0.01 -0.03 -0.01 0.00 -0.13 0.00 0.00 59.36 59.19 1fhi h GLU 138 Cb 0.46 -0.10 -0.00 0.00 0.63 0.00 0.00 28.75 29.74 1fhi h GLU 138 CO 0.01 0.29 0.05 0.00 -0.73 0.00 0.00 179.01 178.63 1fhi h ALA 139 N 1.69 0.14 -0.45 2.92 0.00 -1.20 -2.26 119.26 120.10 1fhi h ALA 139 Ca 0.56 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 55.37 1fhi h ALA 139 Cb 1.02 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.75 1fhi h ALA 139 CO -0.50 -0.28 0.24 0.00 0.00 0.00 0.00 179.25 178.71 1fhi h ALA 140 N 0.90 0.58 0.52 0.00 0.00 0.76 0.10 119.26 122.11 1fhi h ALA 140 Ca 0.04 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.84 1fhi h ALA 140 Cb 0.15 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 1fhi h ALA 140 CO -0.00 0.11 -0.47 0.00 0.00 0.00 0.00 179.25 178.89 1fhi h ALA 141 N 1.09 -1.07 -0.81 0.00 0.00 0.68 -2.78 119.26 116.37 1fhi h ALA 141 Ca 0.16 -0.18 0.08 0.00 0.00 0.00 0.00 54.91 54.96 1fhi h ALA 141 Cb 0.06 0.65 -0.07 0.00 0.00 0.00 0.00 17.79 18.44 1fhi h ALA 141 CO -0.02 -1.14 0.47 -0.07 0.00 0.00 0.00 179.25 178.49 1fhi h LEU 142 N -0.98 0.71 -1.81 0.00 3.38 -1.28 -1.87 115.31 113.46 1fhi h LEU 142 Ca -0.06 0.03 0.42 0.00 0.09 0.00 0.00 57.88 58.37 1fhi h LEU 142 Cb 0.84 -0.11 -0.06 0.00 0.09 0.00 0.00 40.66 41.43 1fhi h LEU 142 CO -0.03 0.43 1.15 -0.09 0.09 0.00 0.00 178.44 179.99 1fhi h ARG 143 N 0.83 0.00 -0.19 1.13 2.43 -0.68 0.21 114.38 118.12 1fhi h ARG 143 Ca 0.37 0.00 -0.10 0.00 -0.81 0.00 0.00 59.98 59.45 1fhi h ARG 143 Cb 0.27 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.80 1fhi h ARG 143 CO -0.21 0.00 -0.30 0.28 -1.51 0.00 0.00 179.97 178.23 1fhi h VAL 144 N 0.00 1.27 0.00 0.20 2.07 -1.37 -2.87 116.25 115.55 1fhi h VAL 144 Ca 0.69 -1.31 0.00 0.00 0.82 0.00 0.00 66.70 66.90 1fhi h VAL 144 Cb 2.99 1.46 0.00 0.00 -1.52 0.00 0.00 31.29 34.22 1fhi h VAL 144 CO -0.01 0.40 0.00 -1.22 0.02 0.00 0.00 177.57 176.77 1fhi n TYR 145 N -4.10 0.00 0.02 1.57 4.02 0.06 -2.52 117.16 116.21 1fhi n TYR 145 Ca -0.01 0.00 0.07 0.00 -0.01 0.00 0.00 57.90 57.95 1fhi n TYR 145 Cb 0.42 -0.21 0.15 0.00 -0.02 0.00 0.00 39.34 39.68 1fhi n TYR 145 CO 0.00 0.00 0.00 1.19 -1.01 0.00 0.00 176.86 177.04 1fhi n PHE 146 N -1.21 0.39 0.47 -0.72 3.72 -1.08 -5.06 117.46 113.97 1fhi n PHE 146 Ca 0.13 -0.35 0.04 0.00 -0.05 0.00 0.00 57.45 57.22 1fhi n PHE 146 Cb 0.15 -0.02 0.22 0.00 -0.94 0.00 0.00 39.48 38.90 1fhi n PHE 146 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 176.76 177.75