#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3fhm s PHE 4 N 0.00 3.13 0.19 4.78 0.08 -1.26 -1.56 117.98 123.34 3fhm s PHE 4 Ca 0.00 -0.09 -0.10 0.00 0.12 0.00 0.00 56.93 56.86 3fhm s PHE 4 Cb 0.00 -1.43 0.10 0.00 -0.57 0.00 0.00 43.02 41.13 3fhm s PHE 4 CO 0.00 0.52 1.74 0.28 -0.10 0.00 0.00 175.22 177.66 3fhm h VAL 5 N 1.56 1.24 -0.95 -0.44 2.07 -1.07 -2.42 116.25 116.25 3fhm h VAL 5 Ca -0.49 -0.79 0.17 0.00 0.82 0.00 0.00 66.70 66.42 3fhm h VAL 5 Cb 1.23 0.50 -0.08 0.00 -1.52 0.00 0.00 31.29 31.42 3fhm h VAL 5 CO 0.61 0.31 0.60 0.50 0.02 0.00 0.00 177.57 179.61 3fhm h LYS 6 N 0.96 0.65 0.00 1.57 3.11 -1.34 -1.86 116.57 119.66 3fhm h LYS 6 Ca 0.22 -0.04 -0.16 0.00 -2.81 0.00 0.00 60.65 57.86 3fhm h LYS 6 Cb 0.23 -0.15 -0.02 0.00 -1.00 0.00 0.00 32.23 31.29 3fhm h LYS 6 CO -0.02 0.43 -0.76 -0.44 -2.81 0.00 0.00 179.45 175.85 3fhm h ASP 7 N 0.67 0.00 -0.59 4.20 3.45 -1.73 -2.52 116.42 119.90 3fhm h ASP 7 Ca 0.50 0.00 -0.01 0.00 0.43 0.00 0.00 57.03 57.95 3fhm h ASP 7 Cb 0.88 0.00 -0.03 0.00 -0.56 0.00 0.00 39.33 39.62 3fhm h ASP 7 CO -0.26 0.76 0.32 -0.07 -1.57 0.00 0.00 179.24 178.42 3fhm h LEU 8 N 0.00 0.75 -0.62 1.55 3.38 -1.14 -3.07 115.31 116.17 3fhm h LEU 8 Ca -0.01 -0.10 -0.12 0.00 0.09 0.00 0.00 57.88 57.74 3fhm h LEU 8 Cb 1.45 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 42.00 3fhm h LEU 8 CO 0.10 0.64 -0.23 -0.07 0.09 0.00 0.00 178.44 178.97 3fhm h LEU 9 N 0.80 0.87 -1.72 1.67 3.38 -1.28 -1.66 115.31 117.39 3fhm h LEU 9 Ca 0.21 -0.32 0.03 0.00 0.09 0.00 0.00 57.88 57.89 3fhm h LEU 9 Cb 0.06 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.56 3fhm h LEU 9 CO -0.03 1.06 0.25 0.44 0.09 0.00 0.00 178.44 180.25 3fhm h ASP 10 N 0.74 0.32 0.10 -0.43 3.45 -1.42 0.16 116.42 119.34 3fhm h ASP 10 Ca 0.10 -0.00 -0.24 0.00 0.43 0.00 0.00 57.03 57.32 3fhm h ASP 10 Cb 0.76 -0.07 -0.00 0.00 -0.56 0.00 0.00 39.33 39.46 3fhm h ASP 10 CO 0.06 0.22 -1.20 0.03 -1.57 0.00 0.00 179.24 176.78 3fhm h ARG 11 N 0.37 0.21 0.07 3.56 3.08 -1.38 -3.42 114.38 116.88 3fhm h ARG 11 Ca 0.15 -0.37 -0.36 0.00 0.07 0.00 0.00 59.98 59.48 3fhm h ARG 11 Cb 0.14 0.14 -0.04 0.00 0.08 0.00 0.00 29.97 30.29 3fhm h ARG 11 CO -0.03 1.18 -2.07 0.36 -1.07 0.00 0.00 179.97 178.33 3fhm n LYS 12 N -4.05 0.71 0.00 0.04 -0.00 -0.65 -5.10 118.16 109.11 3fhm n LYS 12 Ca -0.23 0.23 0.00 0.00 -0.00 0.00 0.00 58.31 58.31 3fhm n LYS 12 Cb 0.84 -1.67 0.00 0.00 -0.00 0.00 0.00 35.03 34.20 3fhm n LYS 12 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 3fhm n GLY 13 N 1.96 3.84 0.04 2.58 0.00 0.54 -4.98 105.19 109.16 3fhm n GLY 13 Ca -0.32 -1.70 0.11 0.00 0.00 0.00 0.00 46.02 44.11 3fhm n GLY 13 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 3fhm n ARG 14 N -1.46 0.45 -2.21 1.61 3.00 -1.26 -4.77 116.66 112.02 3fhm n ARG 14 Ca 0.00 -0.05 -0.39 0.00 -0.00 0.00 0.00 57.85 57.41 3fhm n ARG 14 Cb 0.00 -1.60 -0.01 0.00 0.00 0.00 0.00 32.46 30.85 3fhm n ARG 14 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.63 177.12 3fhm s ASP 15 N -4.31 6.41 -0.09 6.15 -0.00 -1.26 -3.76 116.67 119.81 3fhm s ASP 15 Ca -0.01 2.44 0.04 0.00 -0.00 0.00 0.00 52.55 55.03 3fhm s ASP 15 Cb 0.14 -2.62 -0.00 0.00 -0.00 0.00 0.00 42.92 40.43 3fhm s ASP 15 CO 0.85 -0.76 -0.24 -0.69 -0.00 0.00 0.00 175.17 174.33 3fhm s VAL 16 N -1.37 2.01 -0.14 -1.27 1.01 -1.26 -4.61 120.40 114.77 3fhm s VAL 16 Ca 0.58 -1.00 -0.25 0.00 0.00 0.00 0.00 61.98 61.31 3fhm s VAL 16 Cb -0.33 -1.74 -0.02 0.00 0.00 0.00 0.00 36.38 34.30 3fhm s VAL 16 CO 0.41 0.55 0.80 -0.69 0.00 0.00 0.00 175.10 176.17 3fhm s VAL 17 N 0.26 4.92 0.17 2.92 1.01 -1.26 -5.06 120.40 123.37 3fhm s VAL 17 Ca -0.16 1.58 0.06 0.00 0.00 0.00 0.00 61.98 63.46 3fhm s VAL 17 Cb -0.17 -4.11 -0.04 0.00 0.00 0.00 0.00 36.38 32.05 3fhm s VAL 17 CO 0.08 0.09 -0.13 0.42 0.00 0.00 0.00 175.10 175.56 3fhm s THR 18 N 1.80 1.47 0.08 3.92 -4.23 -1.26 -2.78 115.64 114.64 3fhm s THR 18 Ca 0.38 -2.11 0.05 0.00 -1.18 0.00 0.00 61.69 58.82 3fhm s THR 18 Cb -0.17 -1.92 -0.03 0.00 1.34 0.00 0.00 72.50 71.72 3fhm s THR 18 CO 0.14 -0.64 -0.12 0.68 -0.54 0.00 0.00 174.62 174.13 3fhm s VAL 19 N -3.05 1.03 0.87 2.29 -7.23 -0.69 -4.93 120.40 108.68 3fhm s VAL 19 Ca 0.19 -1.39 -0.12 0.00 -1.81 0.00 0.00 61.98 58.85 3fhm s VAL 19 Cb 0.00 -1.12 0.11 0.00 0.56 0.00 0.00 36.38 35.93 3fhm s VAL 19 CO 0.04 -0.34 1.10 -0.83 -0.31 0.00 0.00 175.10 174.76 3fhm s GLY 20 N -1.95 1.61 0.04 2.32 0.00 -1.26 -2.14 107.32 105.94 3fhm s GLY 20 Ca -0.00 -0.23 0.27 0.00 0.00 0.00 0.00 44.72 44.76 3fhm s GLY 20 CO 0.02 0.26 1.85 -1.55 0.00 0.00 0.00 173.10 173.68 3fhm n PRO 21 N -3.70 0.04 0.01 2.90 -0.04 -1.26 -3.56 135.00 129.39 3fhm n PRO 21 Ca 0.07 0.07 0.11 0.00 -0.04 0.00 0.00 63.50 63.70 3fhm n PRO 21 Cb 0.56 -1.55 -0.10 0.00 -0.04 0.00 0.00 33.50 32.38 3fhm n PRO 21 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 3fhm n ASP 22 N -1.63 0.52 -4.46 3.54 8.00 -1.26 -3.91 116.55 117.35 3fhm n ASP 22 Ca 0.06 -0.39 -0.52 0.00 0.71 0.00 0.00 54.79 54.65 3fhm n ASP 22 Cb 0.33 1.30 -0.05 0.00 -0.02 0.00 0.00 41.12 42.68 3fhm n ASP 22 CO 0.00 0.00 0.00 0.52 -0.39 0.00 0.00 177.20 177.33 3fhm n VAL 23 N -1.93 1.11 -2.48 2.53 0.31 -1.23 -4.77 118.33 111.87 3fhm n VAL 23 Ca 0.00 -0.28 -0.28 0.00 -0.01 0.00 0.00 64.34 63.78 3fhm n VAL 23 Cb 0.45 -0.11 0.00 0.00 -0.91 0.00 0.00 33.84 33.28 3fhm n VAL 23 CO 0.00 0.00 0.00 -0.94 -1.32 0.00 0.00 176.83 174.57 3fhm s SER 24 N -0.50 6.23 0.21 4.52 1.04 -1.26 -1.61 113.70 122.33 3fhm s SER 24 Ca 0.75 1.01 -0.09 0.00 0.48 0.00 0.00 55.95 58.11 3fhm s SER 24 Cb -1.05 -2.27 0.30 0.00 0.10 0.00 0.00 66.02 63.10 3fhm s SER 24 CO 0.56 -0.66 1.74 0.40 0.98 0.00 0.00 173.24 176.27 3fhm h ILE 25 N 0.10 0.75 -0.69 -1.02 2.04 -1.19 0.46 117.51 117.96 3fhm h ILE 25 Ca -0.46 -0.14 0.15 0.00 1.00 0.00 0.00 64.86 65.41 3fhm h ILE 25 Cb 1.20 0.31 -0.04 0.00 -0.74 0.00 0.00 36.82 37.55 3fhm h ILE 25 CO 0.62 0.07 0.47 1.23 0.00 0.00 0.00 178.15 180.54 3fhm h GLY 26 N 0.41 0.50 0.95 5.37 0.00 -1.48 -1.96 103.07 106.87 3fhm h GLY 26 Ca 0.32 -0.13 -0.33 0.00 0.00 0.00 0.00 47.33 47.20 3fhm h GLY 26 CO -0.32 0.05 -1.74 0.83 0.00 0.00 0.00 176.54 175.36 3fhm h GLU 27 N 0.30 0.21 -0.72 4.80 5.08 -1.54 -3.05 114.58 119.66 3fhm h GLU 27 Ca 0.34 -0.35 0.11 0.00 -1.00 0.00 0.00 59.36 58.45 3fhm h GLU 27 Cb 0.89 0.13 -0.08 0.00 0.50 0.00 0.00 28.75 30.19 3fhm h GLU 27 CO -0.08 1.02 0.33 0.00 -1.00 0.00 0.00 179.01 179.28 3fhm h ALA 28 N 0.44 1.00 -0.56 3.43 0.00 -0.71 -1.85 119.26 121.03 3fhm h ALA 28 Ca -0.32 0.08 -0.02 0.00 0.00 0.00 0.00 54.91 54.65 3fhm h ALA 28 Cb 2.03 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 19.79 3fhm h ALA 28 CO 0.12 -0.11 0.26 0.00 0.00 0.00 0.00 179.25 179.52 3fhm h ALA 29 N 1.47 1.41 -0.70 0.00 0.00 -1.40 -1.79 119.26 118.24 3fhm h ALA 29 Ca 0.37 -0.12 -0.03 0.00 0.00 0.00 0.00 54.91 55.13 3fhm h ALA 29 Cb 0.46 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.99 3fhm h ALA 29 CO -0.32 0.46 0.33 0.78 0.00 0.00 0.00 179.25 180.51 3fhm h GLY 30 N 0.89 1.07 0.83 0.00 0.00 -1.31 -2.25 103.07 102.31 3fhm h GLY 30 Ca 0.19 -0.52 -0.04 0.00 0.00 0.00 0.00 47.33 46.97 3fhm h GLY 30 CO -0.02 0.49 -0.00 -0.84 0.00 0.00 0.00 176.54 176.17 3fhm h THR 31 N 0.99 1.26 -0.81 4.70 2.02 -0.55 -2.00 112.91 118.52 3fhm h THR 31 Ca 0.24 -0.89 0.16 0.00 0.77 0.00 0.00 66.41 66.69 3fhm h THR 31 Cb 0.11 1.40 -0.10 0.00 -1.74 0.00 0.00 68.15 67.82 3fhm h THR 31 CO -0.03 0.28 0.35 -0.07 0.37 0.00 0.00 175.52 176.41 3fhm h LEU 32 N 0.16 0.34 -0.01 2.58 3.38 -1.25 -2.58 115.31 117.93 3fhm h LEU 32 Ca 0.06 0.12 -0.19 0.00 0.09 0.00 0.00 57.88 57.96 3fhm h LEU 32 Cb 0.41 0.08 0.02 0.00 0.09 0.00 0.00 40.66 41.25 3fhm h LEU 32 CO 0.01 0.10 -0.74 -0.74 0.09 0.00 0.00 178.44 177.16 3fhm h HIS 33 N 0.47 0.76 -0.36 1.13 2.76 -0.79 -2.38 115.15 116.75 3fhm h HIS 33 Ca 0.46 -0.41 -0.07 0.00 -2.20 0.00 0.00 60.37 58.14 3fhm h HIS 33 Cb 0.72 -0.09 -0.02 0.00 1.55 0.00 0.00 27.41 29.58 3fhm h HIS 33 CO -0.15 1.23 -0.09 0.00 -1.30 0.00 0.00 177.93 177.63 3fhm h ALA 34 N 0.35 1.18 -0.01 5.26 0.00 -1.35 -2.76 119.26 121.94 3fhm h ALA 34 Ca -0.09 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.55 3fhm h ALA 34 Cb 1.43 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 19.07 3fhm h ALA 34 CO 0.15 0.53 -0.10 0.72 0.00 0.00 0.00 179.25 180.54 3fhm n HIS 35 N -4.20 0.00 -3.85 0.00 8.25 -0.98 -4.97 115.22 109.48 3fhm n HIS 35 Ca 0.01 0.00 -0.33 0.00 -0.26 0.00 0.00 57.72 57.14 3fhm n HIS 35 Cb 0.32 -0.08 0.02 0.00 1.12 0.00 0.00 29.99 31.37 3fhm n HIS 35 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 3fhm n LYS 36 N -0.43 -1.47 -4.29 -0.41 5.02 -0.96 -5.03 118.16 110.59 3fhm n LYS 36 Ca 0.17 0.35 -0.15 0.00 -2.02 0.00 0.00 58.31 56.65 3fhm n LYS 36 Cb 0.31 -3.85 -0.10 0.00 -0.02 0.00 0.00 35.03 31.37 3fhm n LYS 36 CO 0.00 0.00 0.00 0.96 -0.52 0.00 0.00 177.40 177.84 3fhm s ILE 37 N -3.62 0.59 -1.52 -0.18 -4.36 -0.94 -5.06 121.20 106.10 3fhm s ILE 37 Ca 0.36 -1.99 0.18 0.00 -0.26 0.00 0.00 60.65 58.94 3fhm s ILE 37 Cb -0.15 -2.45 -0.04 0.00 1.25 0.00 0.00 42.46 41.07 3fhm s ILE 37 CO 0.90 -0.17 0.91 0.61 0.24 0.00 0.00 174.94 177.42 3fhm n GLY 38 N -0.38 -0.13 3.26 6.27 0.00 -1.26 -4.66 105.19 108.28 3fhm n GLY 38 Ca -0.02 -0.53 -0.09 0.00 0.00 0.00 0.00 46.02 45.38 3fhm n GLY 38 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3fhm s ALA 39 N -2.22 -0.06 -0.20 4.61 0.00 -1.26 -1.99 121.76 120.64 3fhm s ALA 39 Ca 0.14 -0.79 -0.10 0.00 0.00 0.00 0.00 51.96 51.21 3fhm s ALA 39 Cb 0.15 0.67 0.07 0.00 0.00 0.00 0.00 23.12 24.01 3fhm s ALA 39 CO 0.52 -0.57 0.46 0.54 0.00 0.00 0.00 175.76 176.71 3fhm s VAL 40 N -3.92 -0.23 -0.09 0.00 0.11 -0.96 -4.97 120.40 110.34 3fhm s VAL 40 Ca 0.11 0.10 -0.23 0.00 -2.93 0.00 0.00 61.98 59.03 3fhm s VAL 40 Cb 0.04 -0.69 -0.03 0.00 -1.53 0.00 0.00 36.38 34.17 3fhm s VAL 40 CO -0.05 0.04 0.69 -0.69 -3.33 0.00 0.00 175.10 171.76 3fhm s VAL 41 N 1.82 5.04 -0.43 2.04 1.01 -1.12 -1.95 120.40 126.81 3fhm s VAL 41 Ca -0.07 1.40 -0.21 0.00 0.00 0.00 0.00 61.98 63.10 3fhm s VAL 41 Cb -0.09 -4.02 0.02 0.00 0.00 0.00 0.00 36.38 32.29 3fhm s VAL 41 CO -0.14 0.22 0.67 -0.69 0.00 0.00 0.00 175.10 175.16 3fhm s VAL 42 N 1.05 4.80 0.29 2.92 1.01 0.35 -1.71 120.40 129.11 3fhm s VAL 42 Ca 0.36 0.23 0.11 0.00 0.00 0.00 0.00 61.98 62.68 3fhm s VAL 42 Cb -0.17 -4.21 -0.05 0.00 0.00 0.00 0.00 36.38 31.95 3fhm s VAL 42 CO 0.16 -0.58 -0.14 0.42 0.00 0.00 0.00 175.10 174.96 3fhm s THR 43 N 2.89 2.66 0.70 3.92 -4.23 -0.91 0.20 115.64 120.86 3fhm s THR 43 Ca 0.24 -2.27 -0.03 0.00 -1.18 0.00 0.00 61.69 58.45 3fhm s THR 43 Cb -0.14 -2.47 0.09 0.00 1.34 0.00 0.00 72.50 71.33 3fhm s THR 43 CO 0.19 -0.37 0.98 1.51 -0.54 0.00 0.00 174.62 176.39 3fhm s ASP 44 N -3.56 4.58 0.44 3.99 1.47 -0.73 -4.00 116.67 118.87 3fhm s ASP 44 Ca 0.31 0.01 0.29 0.00 1.18 0.00 0.00 52.55 54.33 3fhm s ASP 44 Cb -0.04 -0.56 1.37 0.00 -0.34 0.00 0.00 42.92 43.35 3fhm s ASP 44 CO 0.16 -1.70 1.66 0.00 0.68 0.00 0.00 175.17 175.97 3fhm h ALA 45 N -0.51 2.68 0.00 2.11 0.00 -2.00 -1.62 119.26 119.92 3fhm h ALA 45 Ca -0.41 0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.59 3fhm h ALA 45 Cb 1.28 0.16 0.00 0.00 0.00 0.00 0.00 17.79 19.24 3fhm h ALA 45 CO 0.48 -1.26 -0.81 -0.44 0.00 0.00 0.00 179.25 177.23 3fhm h ASP 46 N 0.14 0.00 0.00 0.00 3.45 -2.06 -3.47 116.42 114.48 3fhm h ASP 46 Ca 0.77 -0.10 0.00 0.00 0.43 0.00 0.00 57.03 58.13 3fhm h ASP 46 Cb 2.39 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 41.16 3fhm h ASP 46 CO -0.37 0.05 0.00 0.61 -1.57 0.00 0.00 179.24 177.96 3fhm n GLY 47 N 1.24 1.11 3.78 2.75 0.00 -0.61 -5.10 105.19 108.37 3fhm n GLY 47 Ca 0.02 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.67 3fhm n GLY 47 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3fhm s VAL 48 N -2.00 3.94 -0.22 1.61 1.01 -1.26 -4.75 120.40 118.73 3fhm s VAL 48 Ca 0.00 1.56 -0.29 0.00 0.00 0.00 0.00 61.98 63.25 3fhm s VAL 48 Cb 0.00 -3.85 -0.01 0.00 0.00 0.00 0.00 36.38 32.53 3fhm s VAL 48 CO 0.00 0.09 1.30 -0.69 0.00 0.00 0.00 175.10 175.79 3fhm s VAL 49 N -1.62 4.19 -0.18 2.92 1.01 -1.26 -1.77 120.40 123.70 3fhm s VAL 49 Ca 0.53 1.41 0.13 0.00 0.00 0.00 0.00 61.98 64.05 3fhm s VAL 49 Cb -0.21 -4.04 -0.23 0.00 0.00 0.00 0.00 36.38 31.90 3fhm s VAL 49 CO 0.27 -0.27 0.12 0.18 0.00 0.00 0.00 175.10 175.39 3fhm n LEU 50 N 7.09 0.81 0.00 3.92 4.77 0.13 -4.99 117.00 128.73 3fhm n LEU 50 Ca 0.14 0.05 0.03 0.00 -0.03 0.00 0.00 56.01 56.21 3fhm n LEU 50 Cb 0.45 0.11 0.01 0.00 -2.33 0.00 0.00 43.42 41.67 3fhm n LEU 50 CO 0.59 0.58 0.92 0.61 -1.33 0.00 0.00 177.39 178.76 3fhm n GLY 51 N 1.82 0.20 3.10 -0.72 0.00 -0.94 -4.54 105.19 104.12 3fhm n GLY 51 Ca -0.33 -0.98 -0.23 0.00 0.00 0.00 0.00 46.02 44.48 3fhm n GLY 51 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 3fhm s ILE 52 N -2.02 1.16 -0.07 -0.61 2.07 -0.56 -0.50 121.20 120.68 3fhm s ILE 52 Ca 0.25 -0.61 0.00 0.00 -1.41 0.00 0.00 60.65 58.89 3fhm s ILE 52 Cb -0.00 -0.98 0.02 0.00 0.13 0.00 0.00 42.46 41.63 3fhm s ILE 52 CO -0.02 0.33 -0.05 0.12 -1.91 0.00 0.00 174.94 173.42 3fhm s PHE 53 N -0.19 0.98 0.46 3.50 5.36 -0.82 -1.31 117.98 125.96 3fhm s PHE 53 Ca 0.02 -0.36 0.03 0.00 -0.96 0.00 0.00 56.93 55.66 3fhm s PHE 53 Cb -0.07 -0.89 -0.03 0.00 -0.34 0.00 0.00 43.02 41.69 3fhm s PHE 53 CO 0.00 -0.32 0.04 0.95 -1.46 0.00 0.00 175.22 174.43 3fhm s THR 54 N 1.42 1.14 0.59 0.12 -4.23 -1.26 -2.25 115.64 111.16 3fhm s THR 54 Ca -0.02 -2.00 0.29 0.00 -1.18 0.00 0.00 61.69 58.78 3fhm s THR 54 Cb -0.13 -2.36 0.36 0.00 1.34 0.00 0.00 72.50 71.70 3fhm s THR 54 CO -0.03 0.00 2.11 1.05 -0.54 0.00 0.00 174.62 177.21 3fhm h GLU 55 N 1.56 0.00 -0.22 3.99 4.11 -1.79 -1.82 114.58 120.42 3fhm h GLU 55 Ca -0.42 0.00 -0.05 0.00 0.07 0.00 0.00 59.36 58.96 3fhm h GLU 55 Cb 1.29 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.53 3fhm h GLU 55 CO 0.71 0.00 -0.07 -0.09 0.07 0.00 0.00 179.01 179.63 3fhm h ARG 56 N 0.00 0.44 -0.91 1.06 9.65 -1.96 -2.90 114.38 119.77 3fhm h ARG 56 Ca 0.08 -0.17 0.13 0.00 -1.10 0.00 0.00 59.98 58.91 3fhm h ARG 56 Cb 0.45 -0.02 -0.09 0.00 -1.39 0.00 0.00 29.97 28.92 3fhm h ARG 56 CO -0.00 0.69 0.52 -0.44 2.80 0.00 0.00 179.97 183.54 3fhm h ASP 57 N 0.16 0.71 0.12 -3.80 3.32 -1.69 -2.57 116.42 112.67 3fhm h ASP 57 Ca 0.05 0.07 0.01 0.00 0.02 0.00 0.00 57.03 57.18 3fhm h ASP 57 Cb 0.54 -0.06 -0.04 0.00 0.22 0.00 0.00 39.33 39.99 3fhm h ASP 57 CO 0.02 0.34 -0.44 0.25 -1.72 0.00 0.00 179.24 177.70 3fhm h LEU 58 N 0.78 -1.32 -0.98 1.55 6.46 -1.30 -1.79 115.31 118.71 3fhm h LEU 58 Ca 0.47 0.14 0.13 0.00 -0.12 0.00 0.00 57.88 58.50 3fhm h LEU 58 Cb 0.57 0.49 -0.14 0.00 -0.73 0.00 0.00 40.66 40.84 3fhm h LEU 58 CO -0.31 -0.47 -0.46 0.58 -0.62 0.00 0.00 178.44 177.15 3fhm h VAL 59 N -0.64 0.00 -0.42 1.05 2.07 -1.43 -1.78 116.25 115.11 3fhm h VAL 59 Ca -0.01 0.00 0.08 0.00 0.82 0.00 0.00 66.70 67.59 3fhm h VAL 59 Cb 0.64 0.00 -0.07 0.00 -1.52 0.00 0.00 31.29 30.35 3fhm h VAL 59 CO -0.23 0.00 -0.01 0.50 0.02 0.00 0.00 177.57 177.85 3fhm h LYS 60 N -0.01 0.09 -0.24 1.57 3.64 -1.32 0.49 116.57 120.79 3fhm h LYS 60 Ca 0.27 -0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.64 3fhm h LYS 60 Cb 0.53 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.32 3fhm h LYS 60 CO -0.96 0.06 0.13 0.00 -2.27 0.00 0.00 179.45 176.41 3fhm h ALA 61 N 1.37 0.31 0.00 5.00 0.00 -0.62 -2.02 119.26 123.30 3fhm h ALA 61 Ca 0.21 -0.08 -0.13 0.00 0.00 0.00 0.00 54.91 54.91 3fhm h ALA 61 Cb 0.30 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 3fhm h ALA 61 CO -0.35 -0.14 -0.61 -0.39 0.00 0.00 0.00 179.25 177.75 3fhm h VAL 62 N 0.27 1.30 -0.40 0.00 -1.51 -1.00 0.21 116.25 115.13 3fhm h VAL 62 Ca 0.08 -2.20 -0.00 0.00 -1.23 0.00 0.00 66.70 63.35 3fhm h VAL 62 Cb 0.09 2.23 -0.02 0.00 -2.13 0.00 0.00 31.29 31.46 3fhm h VAL 62 CO -0.01 0.60 0.24 0.00 -1.23 0.00 0.00 177.57 177.17 3fhm h ALA 63 N 1.39 0.51 0.21 5.19 0.00 -0.72 -1.45 119.26 124.38 3fhm h ALA 63 Ca -0.01 -0.06 -0.34 0.00 0.00 0.00 0.00 54.91 54.51 3fhm h ALA 63 Cb 1.18 -0.16 0.02 0.00 0.00 0.00 0.00 17.79 18.83 3fhm h ALA 63 CO 0.08 0.01 -1.56 0.78 0.00 0.00 0.00 179.25 178.56 3fhm h GLY 64 N 0.53 0.51 0.00 0.00 0.00 -1.08 -3.41 103.07 99.61 3fhm h GLY 64 Ca 0.14 -1.31 0.00 0.00 0.00 0.00 0.00 47.33 46.16 3fhm h GLY 64 CO -0.03 1.15 0.00 -1.06 0.00 0.00 0.00 176.54 176.60 3fhm n GLN 65 N -3.64 1.69 0.00 4.80 3.00 0.04 -5.11 117.38 118.16 3fhm n GLN 65 Ca -0.19 -1.07 0.00 0.00 -0.01 0.00 0.00 57.00 55.73 3fhm n GLN 65 Cb 1.09 -0.84 0.00 0.00 0.00 0.00 0.00 30.24 30.49 3fhm n GLN 65 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 3fhm n GLY 66 N -0.30 0.98 0.36 1.08 0.00 -0.55 -3.18 105.19 103.59 3fhm n GLY 66 Ca 0.00 -0.60 0.18 0.00 0.00 0.00 0.00 46.02 45.60 3fhm n GLY 66 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3fhm h ALA 67 N -0.72 2.23 0.00 4.61 0.00 -1.95 -1.96 119.26 121.47 3fhm h ALA 67 Ca 0.00 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.87 3fhm h ALA 67 Cb 0.00 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 17.81 3fhm h ALA 67 CO 0.00 -0.48 -0.14 0.00 0.00 0.00 0.00 179.25 178.63 3fhm h ALA 68 N 1.75 1.44 0.00 0.00 0.00 -1.97 -2.76 119.26 117.73 3fhm h ALA 68 Ca 0.17 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 3fhm h ALA 68 Cb 0.76 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.53 3fhm h ALA 68 CO -0.00 0.17 -0.04 0.66 0.00 0.00 0.00 179.25 180.04 3fhm h SER 69 N 0.00 0.00 0.35 0.00 4.64 -1.43 -2.25 113.55 114.86 3fhm h SER 69 Ca -0.00 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.31 3fhm h SER 69 Cb 0.31 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.40 3fhm h SER 69 CO 0.02 0.04 -0.05 -0.07 -0.87 0.00 0.00 176.83 175.89 3fhm h LEU 70 N 0.00 0.00 0.00 5.97 3.38 -1.68 -2.71 115.31 120.27 3fhm h LEU 70 Ca -0.00 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 57.84 3fhm h LEU 70 Cb 0.49 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.21 3fhm h LEU 70 CO 0.00 0.05 -1.52 0.00 0.09 0.00 0.00 178.44 177.06 3fhm n GLN 71 N -3.39 0.63 -1.82 1.13 1.13 -0.85 -1.36 117.38 112.86 3fhm n GLN 71 Ca -0.02 0.11 -0.37 0.00 -1.94 0.00 0.00 57.00 54.79 3fhm n GLN 71 Cb 0.19 -1.74 0.06 0.00 0.11 0.00 0.00 30.24 28.86 3fhm n GLN 71 CO 0.00 0.00 0.00 -0.65 -1.44 0.00 0.00 177.06 174.97 3fhm s GLN 72 N -3.06 2.67 0.34 -1.09 -0.21 -1.02 -4.74 119.66 112.55 3fhm s GLN 72 Ca -0.04 2.00 -0.27 0.00 0.02 0.00 0.00 55.36 57.07 3fhm s GLN 72 Cb 0.09 -1.87 -0.09 0.00 1.00 0.00 0.00 33.01 32.14 3fhm s GLN 72 CO 0.82 -1.49 1.13 0.45 -2.12 0.00 0.00 175.29 174.09 3fhm s SER 73 N -1.45 6.92 0.65 5.90 0.15 -1.26 -1.07 113.70 123.53 3fhm s SER 73 Ca 0.81 2.30 0.29 0.00 0.70 0.00 0.00 55.95 60.06 3fhm s SER 73 Cb -0.36 -2.62 1.58 0.00 -1.71 0.00 0.00 66.02 62.92 3fhm s SER 73 CO 0.38 -0.40 1.91 1.62 1.20 0.00 0.00 173.24 177.95 3fhm h VAL 74 N 2.72 0.10 0.00 4.45 3.04 -1.45 -1.19 116.25 123.92 3fhm h VAL 74 Ca -0.48 0.00 -0.04 0.00 -1.01 0.00 0.00 66.70 65.17 3fhm h VAL 74 Cb 1.22 0.66 -0.01 0.00 -2.01 0.00 0.00 31.29 31.15 3fhm h VAL 74 CO 0.65 0.00 -0.18 0.28 -1.01 0.00 0.00 177.57 177.31 3fhm h SER 75 N 0.00 0.00 1.11 3.17 0.02 -1.84 -2.50 113.55 113.51 3fhm h SER 75 Ca 0.05 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.00 3fhm h SER 75 Cb 0.78 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.32 3fhm h SER 75 CO -0.00 0.18 -0.26 1.33 -1.14 0.00 0.00 176.83 176.94 3fhm n VAL 76 N -3.42 0.37 0.23 2.27 0.24 -0.45 -4.11 118.33 113.46 3fhm n VAL 76 Ca -0.00 -0.21 0.03 0.00 -2.04 0.00 0.00 64.34 62.11 3fhm n VAL 76 Cb 0.37 -0.34 -0.04 0.00 -1.47 0.00 0.00 33.84 32.36 3fhm n VAL 76 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3fhm n ALA 77 N -1.73 2.70 -1.75 2.33 0.00 -1.13 -5.05 120.51 115.88 3fhm n ALA 77 Ca 0.05 -0.18 -0.32 0.00 0.00 0.00 0.00 53.44 52.99 3fhm n ALA 77 Cb 0.41 -0.24 -0.00 0.00 0.00 0.00 0.00 19.45 19.62 3fhm n ALA 77 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3fhm s MET 78 N -1.84 3.54 -0.20 0.00 0.23 -0.95 -4.88 119.30 115.20 3fhm s MET 78 Ca 0.01 1.00 -0.23 0.00 -1.03 0.00 0.00 55.69 55.45 3fhm s MET 78 Cb 0.05 -2.07 -0.02 0.00 -1.53 0.00 0.00 34.83 31.26 3fhm s MET 78 CO 0.27 -0.62 0.74 0.99 -2.03 0.00 0.00 175.02 174.38 3fhm s THR 79 N -2.72 4.93 0.04 3.16 2.01 -0.42 -4.90 115.64 117.74 3fhm s THR 79 Ca 0.60 1.41 -0.00 0.00 0.31 0.00 0.00 61.69 64.01 3fhm s THR 79 Cb -0.13 -4.05 -0.26 0.00 0.01 0.00 0.00 72.50 68.08 3fhm s THR 79 CO 0.40 0.04 1.01 0.11 -0.69 0.00 0.00 174.62 175.49 3fhm h LYS 80 N 7.49 0.18 -4.73 4.92 1.57 -1.88 -1.48 116.57 122.65 3fhm h LYS 80 Ca -0.29 -0.31 -0.71 0.00 -1.87 0.00 0.00 60.65 57.47 3fhm h LYS 80 Cb 1.13 0.12 -0.20 0.00 0.08 0.00 0.00 32.23 33.36 3fhm h LYS 80 CO 0.81 1.07 0.53 -0.80 -0.57 0.00 0.00 179.45 180.49 3fhm s ASN 81 N -6.90 6.56 -0.27 0.86 0.01 -1.26 -4.55 114.94 109.39 3fhm s ASN 81 Ca -0.05 -2.03 -0.09 0.00 -0.71 0.00 0.00 52.86 49.98 3fhm s ASN 81 Cb 0.08 -2.34 -0.04 0.00 0.41 0.00 0.00 41.25 39.36 3fhm s ASN 81 CO 0.85 -0.98 0.14 -0.69 -1.51 0.00 0.00 177.10 174.90 3fhm s VAL 82 N 2.20 4.81 0.39 1.60 1.01 -1.26 -5.06 120.40 124.08 3fhm s VAL 82 Ca 0.25 -0.04 -0.16 0.00 0.00 0.00 0.00 61.98 62.03 3fhm s VAL 82 Cb -0.10 -3.29 -0.09 0.00 0.00 0.00 0.00 36.38 32.90 3fhm s VAL 82 CO -0.06 0.27 0.84 0.54 0.00 0.00 0.00 175.10 176.69 3fhm s VAL 83 N 1.68 4.59 0.22 2.92 0.11 -1.26 -5.07 120.40 123.59 3fhm s VAL 83 Ca 0.07 1.10 0.05 0.00 -2.93 0.00 0.00 61.98 60.26 3fhm s VAL 83 Cb -0.16 -3.64 -0.05 0.00 -1.53 0.00 0.00 36.38 31.01 3fhm s VAL 83 CO 0.07 -0.34 -0.05 -0.13 -3.33 0.00 0.00 175.10 171.33 3fhm s ARG 84 N -3.30 1.31 0.46 1.54 1.81 -1.26 -4.27 118.95 115.23 3fhm s ARG 84 Ca 0.57 -1.63 0.03 0.00 -1.72 0.00 0.00 55.73 52.97 3fhm s ARG 84 Cb -0.10 -0.77 -0.03 0.00 -0.45 0.00 0.00 34.95 33.61 3fhm s ARG 84 CO 0.20 -0.00 0.05 0.00 -0.68 0.00 0.00 175.30 174.86 3fhm s GLN 86 N -3.81 1.79 0.45 0.00 1.11 -1.26 -1.24 119.66 116.71 3fhm s GLN 86 Ca 0.16 -1.94 0.20 0.00 0.01 0.00 0.00 55.36 53.78 3fhm s GLN 86 Cb 0.03 -1.55 1.17 0.00 -1.01 0.00 0.00 33.01 31.65 3fhm s GLN 86 CO 0.09 0.07 1.90 0.45 0.01 0.00 0.00 175.29 177.81 3fhm h HIS 87 N 2.02 0.37 -0.24 0.91 3.86 -1.96 -2.06 115.15 118.05 3fhm h HIS 87 Ca -0.42 0.01 0.00 0.00 -1.16 0.00 0.00 60.37 58.80 3fhm h HIS 87 Cb 1.24 -0.11 0.00 0.00 1.06 0.00 0.00 27.41 29.60 3fhm h HIS 87 CO 0.74 0.12 0.00 0.27 0.86 0.00 0.00 177.93 179.91 3fhm n ASN 88 N -4.45 3.29 -4.74 2.45 6.94 -1.26 -0.99 115.26 116.50 3fhm n ASN 88 Ca 0.16 -2.00 -0.37 0.00 -0.02 0.00 0.00 54.58 52.35 3fhm n ASN 88 Cb 0.66 -0.15 0.06 0.00 -2.36 0.00 0.00 39.78 37.99 3fhm n ASN 88 CO 0.00 0.00 0.00 -0.44 -1.03 0.00 0.00 177.26 175.79 3fhm s SER 89 N -1.70 4.87 0.07 0.53 0.01 -0.78 -4.82 113.70 111.88 3fhm s SER 89 Ca 0.34 2.68 0.01 0.00 1.31 0.00 0.00 55.95 60.30 3fhm s SER 89 Cb 0.22 -2.63 -0.04 0.00 0.21 0.00 0.00 66.02 63.78 3fhm s SER 89 CO 0.31 -1.83 0.15 0.42 0.41 0.00 0.00 173.24 172.70 3fhm s THR 90 N -1.36 5.00 0.25 1.44 -4.23 -1.26 -1.52 115.64 113.96 3fhm s THR 90 Ca 0.78 -0.57 0.15 0.00 -1.18 0.00 0.00 61.69 60.87 3fhm s THR 90 Cb -0.39 -3.43 0.24 0.00 1.34 0.00 0.00 72.50 70.27 3fhm s THR 90 CO 0.43 0.12 1.06 0.41 -0.54 0.00 0.00 174.62 176.10 3fhm n THR 91 N 0.33 -0.27 -0.12 3.99 -1.04 -0.60 -0.85 114.28 115.72 3fhm n THR 91 Ca -0.07 1.34 -0.13 0.00 -2.04 0.00 0.00 64.05 63.16 3fhm n THR 91 Cb 0.51 -2.19 -0.03 0.00 -1.82 0.00 0.00 70.33 66.81 3fhm n THR 91 CO 0.00 0.00 0.00 0.44 -0.64 0.00 0.00 175.07 174.87 3fhm h ASP 92 N 0.00 0.86 -0.27 8.00 3.32 -1.95 -2.96 116.42 123.42 3fhm h ASP 92 Ca 0.57 -0.44 -0.06 0.00 0.02 0.00 0.00 57.03 57.11 3fhm h ASP 92 Cb 1.54 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 40.85 3fhm h ASP 92 CO -0.50 1.12 -0.08 1.56 -1.72 0.00 0.00 179.24 179.63 3fhm h GLN 93 N 0.61 0.53 -0.93 3.56 4.20 -1.60 -2.73 115.11 118.76 3fhm h GLN 93 Ca 0.07 -0.21 0.13 0.00 0.06 0.00 0.00 58.65 58.70 3fhm h GLN 93 Cb 0.85 -0.03 -0.09 0.00 0.30 0.00 0.00 27.48 28.51 3fhm h GLN 93 CO 0.07 0.75 0.55 -0.07 -0.67 0.00 0.00 178.83 179.46 3fhm h LEU 94 N 0.28 0.76 -1.28 1.46 4.07 -1.07 0.11 115.31 119.64 3fhm h LEU 94 Ca 0.07 0.06 -0.01 0.00 0.08 0.00 0.00 57.88 58.08 3fhm h LEU 94 Cb 0.56 -0.08 -0.03 0.00 1.08 0.00 0.00 40.66 42.19 3fhm h LEU 94 CO 0.03 0.38 0.31 0.24 -1.08 0.00 0.00 178.44 178.32 3fhm h MET 95 N 0.84 0.80 -0.06 1.13 2.86 -1.32 0.65 114.93 119.82 3fhm h MET 95 Ca 0.48 -0.08 -0.22 0.00 -2.06 0.00 0.00 59.70 57.81 3fhm h MET 95 Cb 0.55 -0.16 0.01 0.00 0.06 0.00 0.00 31.60 32.06 3fhm h MET 95 CO -0.30 0.59 -0.82 0.93 1.06 0.00 0.00 176.91 178.38 3fhm h GLU 96 N 0.80 0.66 0.27 1.72 5.08 -0.79 -1.37 114.58 120.96 3fhm h GLU 96 Ca 0.20 -0.63 -0.01 0.00 -1.00 0.00 0.00 59.36 57.92 3fhm h GLU 96 Cb 0.04 0.16 0.00 0.00 0.50 0.00 0.00 28.75 29.45 3fhm h GLU 96 CO -0.03 1.24 -0.13 0.82 -1.00 0.00 0.00 179.01 179.90 3fhm h ILE 97 N 0.33 0.77 -0.25 3.13 5.03 -0.79 0.59 117.51 126.31 3fhm h ILE 97 Ca -0.09 -0.30 0.06 0.00 -0.12 0.00 0.00 64.86 64.41 3fhm h ILE 97 Cb 1.48 0.94 -0.06 0.00 -3.03 0.00 0.00 36.82 36.15 3fhm h ILE 97 CO 0.16 0.07 -0.13 0.24 -0.68 0.00 0.00 178.15 177.81 3fhm h MET 98 N -0.52 -0.09 0.10 2.37 2.86 -0.91 -1.10 114.93 117.64 3fhm h MET 98 Ca -0.04 0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.61 3fhm h MET 98 Cb 0.39 0.02 -0.01 0.00 0.06 0.00 0.00 31.60 32.06 3fhm h MET 98 CO 0.06 -0.06 -0.11 1.15 1.06 0.00 0.00 176.91 179.01 3fhm h THR 99 N -0.10 0.76 -0.22 2.22 2.02 -1.06 -0.98 112.91 115.55 3fhm h THR 99 Ca 0.14 0.00 -0.06 0.00 0.77 0.00 0.00 66.41 67.26 3fhm h THR 99 Cb 0.30 0.76 -0.01 0.00 -1.74 0.00 0.00 68.15 67.46 3fhm h THR 99 CO -0.32 0.00 -0.10 1.23 0.37 0.00 0.00 175.52 176.71 3fhm h GLY 100 N -0.23 0.50 1.44 2.16 0.00 -0.82 -3.27 103.07 102.85 3fhm h GLY 100 Ca 0.01 -0.44 -0.13 0.00 0.00 0.00 0.00 47.33 46.77 3fhm h GLY 100 CO -0.04 0.40 -0.38 -1.33 0.00 0.00 0.00 176.54 175.19 3fhm h GLY 101 N 0.17 0.67 -1.86 4.60 0.00 -1.26 -3.48 103.07 101.91 3fhm h GLY 101 Ca 0.05 -0.66 -0.01 0.00 0.00 0.00 0.00 47.33 46.71 3fhm h GLY 101 CO 0.03 0.60 -0.02 0.54 0.00 0.00 0.00 176.54 177.69 3fhm n ARG 102 N -4.04 -0.16 -4.07 4.80 1.74 -0.38 -5.07 116.66 109.47 3fhm n ARG 102 Ca -0.02 0.02 -0.13 0.00 -0.77 0.00 0.00 57.85 56.96 3fhm n ARG 102 Cb 0.51 -2.58 -0.05 0.00 -1.02 0.00 0.00 32.46 29.32 3fhm n ARG 102 CO 0.00 0.00 0.00 -0.59 -1.52 0.00 0.00 177.63 175.52 3fhm s PHE 103 N -3.01 0.87 0.00 -1.55 -0.71 -1.15 -5.09 117.98 107.35 3fhm s PHE 103 Ca 0.00 -1.14 0.00 0.00 -1.04 0.00 0.00 56.93 54.75 3fhm s PHE 103 Cb -0.00 -0.06 0.00 0.00 -1.21 0.00 0.00 43.02 41.75 3fhm s PHE 103 CO 0.02 -1.04 0.05 0.54 -1.34 0.00 0.00 175.22 173.45 3fhm n ARG 104 N -0.48 -0.00 -4.22 1.99 1.74 -1.26 -4.51 116.66 109.91 3fhm n ARG 104 Ca 0.00 -0.05 -0.22 0.00 -0.77 0.00 0.00 57.85 56.81 3fhm n ARG 104 Cb 0.62 -0.50 -0.17 0.00 -1.02 0.00 0.00 32.46 31.40 3fhm n ARG 104 CO 0.00 0.00 0.00 -1.01 -1.52 0.00 0.00 177.63 175.10 3fhm s HIS 105 N -0.01 1.02 -0.19 -1.55 3.76 -1.26 -1.59 115.29 115.47 3fhm s HIS 105 Ca 0.00 -0.35 -0.00 0.00 -0.15 0.00 0.00 55.06 54.56 3fhm s HIS 105 Cb 0.00 -0.85 0.05 0.00 1.11 0.00 0.00 32.58 32.89 3fhm s HIS 105 CO 0.00 -0.26 -0.06 0.14 -0.85 0.00 0.00 174.74 173.71 3fhm s VAL 106 N 1.02 1.28 0.34 -0.90 -7.23 0.31 -4.98 120.40 110.24 3fhm s VAL 106 Ca -0.09 -0.83 -0.28 0.00 -1.81 0.00 0.00 61.98 58.96 3fhm s VAL 106 Cb -0.14 -1.47 -0.10 0.00 0.56 0.00 0.00 36.38 35.22 3fhm s VAL 106 CO -0.00 0.07 1.35 -2.84 -0.31 0.00 0.00 175.10 173.37 3fhm s PRO 107 N 1.54 4.29 -0.06 4.82 0.02 -1.26 -1.44 135.00 142.91 3fhm s PRO 107 Ca -0.01 2.30 -0.19 0.00 0.02 0.00 0.00 61.00 63.12 3fhm s PRO 107 Cb -0.16 -3.04 -0.05 0.00 0.02 0.00 0.00 34.50 31.27 3fhm s PRO 107 CO -0.08 -0.28 0.54 0.08 -0.33 0.00 0.00 177.00 176.93 3fhm s VAL 108 N -1.14 5.06 -0.10 3.83 1.01 0.01 -2.61 120.40 126.46 3fhm s VAL 108 Ca 0.50 1.10 0.02 0.00 0.00 0.00 0.00 61.98 63.60 3fhm s VAL 108 Cb -0.41 -3.87 -0.01 0.00 0.00 0.00 0.00 36.38 32.08 3fhm s VAL 108 CO 0.55 0.37 -0.17 -0.70 0.00 0.00 0.00 175.10 175.16 3fhm s GLU 109 N 0.20 3.04 -0.10 2.72 2.12 -0.37 -0.79 118.70 125.51 3fhm s GLU 109 Ca 0.29 -0.75 -0.01 0.00 0.36 0.00 0.00 54.97 54.86 3fhm s GLU 109 Cb -0.17 -2.46 0.03 0.00 0.26 0.00 0.00 34.13 31.79 3fhm s GLU 109 CO 0.14 0.32 -0.02 -1.83 -0.54 0.00 0.00 175.26 173.33 3fhm s GLU 110 N 0.06 0.90 -1.12 4.30 -1.05 -0.26 -4.39 118.70 117.14 3fhm s GLU 110 Ca -0.07 -0.09 -0.00 0.00 -0.15 0.00 0.00 54.97 54.66 3fhm s GLU 110 Cb -0.15 -1.35 -0.00 0.00 -0.44 0.00 0.00 34.13 32.19 3fhm s GLU 110 CO 0.05 -0.35 0.94 0.09 0.95 0.00 0.00 175.26 176.94 3fhm n ASN 111 N 5.07 -2.23 0.00 0.83 3.02 -1.26 -0.84 115.26 119.85 3fhm n ASN 111 Ca -0.09 -0.59 0.00 0.00 -0.03 0.00 0.00 54.58 53.87 3fhm n ASN 111 Cb 0.49 -4.87 0.00 0.00 -0.61 0.00 0.00 39.78 34.80 3fhm n ASN 111 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3fhm n GLY 112 N -1.13 0.00 3.71 7.41 0.00 -1.26 -4.95 105.19 108.97 3fhm n GLY 112 Ca -0.26 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.49 3fhm n GLY 112 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3fhm s ARG 113 N -1.81 2.57 -0.03 1.61 1.81 -0.02 -5.08 118.95 118.00 3fhm s ARG 113 Ca 0.00 -1.02 -0.30 0.00 -1.72 0.00 0.00 55.73 52.69 3fhm s ARG 113 Cb 0.00 -2.46 -0.04 0.00 -0.45 0.00 0.00 34.95 32.00 3fhm s ARG 113 CO 0.00 0.47 1.30 -1.17 -0.68 0.00 0.00 175.30 175.22 3fhm s LEU 114 N -2.96 4.30 -0.02 2.53 2.96 -1.26 -1.10 118.68 123.13 3fhm s LEU 114 Ca 0.28 1.97 0.03 0.00 -0.22 0.00 0.00 54.13 56.19 3fhm s LEU 114 Cb -0.10 -3.56 0.04 0.00 0.50 0.00 0.00 46.19 43.08 3fhm s LEU 114 CO 0.20 -0.65 0.85 0.00 -1.32 0.00 0.00 176.35 175.43 3fhm n ALA 115 N 5.29 1.70 0.00 5.97 0.00 0.03 -4.90 120.51 128.60 3fhm n ALA 115 Ca 0.12 -1.08 0.00 0.00 0.00 0.00 0.00 53.44 52.48 3fhm n ALA 115 Cb 0.45 -0.24 0.00 0.00 0.00 0.00 0.00 19.45 19.66 3fhm n ALA 115 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3fhm n GLY 116 N -0.29 -0.47 2.98 0.00 0.00 -1.25 -4.85 105.19 101.30 3fhm n GLY 116 Ca 0.02 -1.66 -0.12 0.00 0.00 0.00 0.00 46.02 44.26 3fhm n GLY 116 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 3fhm s ILE 117 N -1.78 0.01 -0.10 -0.61 2.07 -1.26 -0.81 121.20 118.72 3fhm s ILE 117 Ca 0.00 -0.04 0.02 0.00 -1.41 0.00 0.00 60.65 59.22 3fhm s ILE 117 Cb 0.00 -0.15 -0.01 0.00 0.13 0.00 0.00 42.46 42.42 3fhm s ILE 117 CO 0.00 -0.02 -0.16 -0.63 -1.91 0.00 0.00 174.94 172.21 3fhm s ILE 118 N -0.03 2.78 0.28 2.00 -1.09 -0.52 -4.95 121.20 119.66 3fhm s ILE 118 Ca -0.01 -0.78 0.09 0.00 -2.23 0.00 0.00 60.65 57.72 3fhm s ILE 118 Cb -0.01 -2.12 -0.04 0.00 -1.58 0.00 0.00 42.46 38.71 3fhm s ILE 118 CO 0.00 0.55 0.02 -0.94 -1.23 0.00 0.00 174.94 173.34 3fhm s SER 119 N 0.05 4.57 0.57 3.58 1.04 -1.26 -0.53 113.70 121.71 3fhm s SER 119 Ca -0.06 -0.67 0.27 0.00 0.48 0.00 0.00 55.95 55.97 3fhm s SER 119 Cb -0.15 -0.83 1.54 0.00 0.10 0.00 0.00 66.02 66.68 3fhm s SER 119 CO 0.05 -0.05 2.04 -0.29 0.98 0.00 0.00 173.24 175.97 3fhm h ILE 120 N 1.83 0.54 0.00 -1.02 2.10 -1.69 -1.07 117.51 118.20 3fhm h ILE 120 Ca -0.44 0.00 -0.16 0.00 1.08 0.00 0.00 64.86 65.34 3fhm h ILE 120 Cb 1.25 0.78 -0.02 0.00 -1.09 0.00 0.00 36.82 37.74 3fhm h ILE 120 CO 0.61 0.00 -0.77 1.23 -1.08 0.00 0.00 178.15 178.14 3fhm h GLY 121 N 0.00 0.00 0.74 8.18 0.00 -1.95 -0.65 103.07 109.39 3fhm h GLY 121 Ca 0.14 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.47 3fhm h GLY 121 CO -0.00 0.00 0.00 -0.55 0.00 0.00 0.00 176.54 175.99 3fhm h ASP 122 N 0.00 0.02 0.17 0.19 3.32 -1.61 -1.02 116.42 117.49 3fhm h ASP 122 Ca -0.01 -0.27 -0.01 0.00 0.02 0.00 0.00 57.03 56.77 3fhm h ASP 122 Cb 1.41 -0.01 0.00 0.00 0.22 0.00 0.00 39.33 40.96 3fhm h ASP 122 CO 0.10 0.29 -0.08 0.58 -1.72 0.00 0.00 179.24 178.41 3fhm h VAL 123 N -0.24 0.84 -0.12 -1.35 2.07 -1.35 -0.21 116.25 115.89 3fhm h VAL 123 Ca 0.00 -0.02 0.04 0.00 0.82 0.00 0.00 66.70 67.55 3fhm h VAL 123 Cb 0.27 0.85 -0.07 0.00 -1.52 0.00 0.00 31.29 30.83 3fhm h VAL 123 CO 0.00 0.00 -0.41 0.58 0.02 0.00 0.00 177.57 177.77 3fhm h VAL 124 N -0.23 0.16 -0.90 2.57 2.07 -1.16 -2.53 116.25 116.23 3fhm h VAL 124 Ca -0.02 0.00 0.14 0.00 0.82 0.00 0.00 66.70 67.64 3fhm h VAL 124 Cb 0.18 0.16 -0.09 0.00 -1.52 0.00 0.00 31.29 30.02 3fhm h VAL 124 CO 0.04 0.00 0.51 0.50 0.02 0.00 0.00 177.57 178.63 3fhm h LYS 125 N -0.49 0.71 -0.97 1.57 3.64 -0.88 -0.35 116.57 119.81 3fhm h LYS 125 Ca 0.08 -0.04 0.05 0.00 -1.27 0.00 0.00 60.65 59.46 3fhm h LYS 125 Cb 0.62 -0.16 -0.06 0.00 -0.41 0.00 0.00 32.23 32.22 3fhm h LYS 125 CO -0.39 0.47 0.63 0.00 -2.27 0.00 0.00 179.45 177.90 3fhm h ALA 126 N 1.56 1.41 0.00 5.00 0.00 -0.64 -1.95 119.26 124.63 3fhm h ALA 126 Ca 0.48 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.35 3fhm h ALA 126 Cb 0.63 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 18.10 3fhm h ALA 126 CO -0.33 0.48 0.00 0.54 0.00 0.00 0.00 179.25 179.94 3fhm n ARG 127 N -4.46 0.81 0.00 0.00 5.12 -0.15 -5.02 116.66 112.96 3fhm n ARG 127 Ca 0.14 0.00 0.05 0.00 -1.93 0.00 0.00 57.85 56.11 3fhm n ARG 127 Cb 0.14 -1.50 0.04 0.00 -1.16 0.00 0.00 32.46 29.98 3fhm n ARG 127 CO 0.00 0.00 0.00 0.44 -1.93 0.00 0.00 177.63 176.14