#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3f7s s SER 2 N 0.00 0.61 0.32 1.61 0.15 0.57 -4.71 113.70 112.24 3f7s s SER 2 Ca 0.00 0.26 0.09 0.00 0.70 0.00 0.00 55.95 57.00 3f7s s SER 2 Cb 0.00 0.76 0.53 0.00 -1.71 0.00 0.00 66.02 65.60 3f7s s SER 2 CO 0.00 -0.28 1.74 0.71 1.20 0.00 0.00 173.24 176.60 3f7s h THR 3 N 6.26 1.30 -0.40 6.45 1.35 -1.99 -1.25 112.91 124.63 3f7s h THR 3 Ca -0.17 -1.47 -0.03 0.00 -0.55 0.00 0.00 66.41 64.20 3f7s h THR 3 Cb 1.14 1.70 -0.02 0.00 -1.73 0.00 0.00 68.15 69.24 3f7s h THR 3 CO 0.22 0.43 0.13 0.00 -0.25 0.00 0.00 175.52 176.05 3f7s h ALA 4 N 1.45 0.52 -0.39 6.62 0.00 -1.99 -0.09 119.26 125.38 3f7s h ALA 4 Ca 0.01 -0.16 -0.05 0.00 0.00 0.00 0.00 54.91 54.71 3f7s h ALA 4 Cb 0.78 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.40 3f7s h ALA 4 CO 0.06 0.15 0.04 0.00 0.00 0.00 0.00 179.25 179.50 3f7s h ALA 5 N 0.98 0.52 -0.76 0.00 0.00 -1.86 -1.52 119.26 116.62 3f7s h ALA 5 Ca 0.13 -0.23 -0.04 0.00 0.00 0.00 0.00 54.91 54.77 3f7s h ALA 5 Cb 0.24 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.85 3f7s h ALA 5 CO -0.01 0.26 0.32 0.93 0.00 0.00 0.00 179.25 180.75 3f7s h GLU 6 N 0.51 1.12 -0.64 0.00 5.08 -1.15 0.84 114.58 120.33 3f7s h GLU 6 Ca 0.12 -0.19 0.01 0.00 -1.00 0.00 0.00 59.36 58.29 3f7s h GLU 6 Cb 0.41 -0.19 -0.03 0.00 0.50 0.00 0.00 28.75 29.44 3f7s h GLU 6 CO 0.01 0.90 0.42 1.03 -1.00 0.00 0.00 179.01 180.38 3f7s h SER 7 N 1.10 0.74 -0.64 1.42 0.87 -0.76 -1.23 113.55 115.05 3f7s h SER 7 Ca 0.26 -0.02 -0.05 0.00 -1.23 0.00 0.00 61.79 60.74 3f7s h SER 7 Cb 0.19 -0.19 -0.03 0.00 -0.44 0.00 0.00 62.40 61.93 3f7s h SER 7 CO -0.02 0.54 0.20 -0.33 -0.53 0.00 0.00 176.83 176.69 3f7s h GLU 8 N 0.87 0.99 -0.67 2.24 5.08 -0.28 -2.20 114.58 120.61 3f7s h GLU 8 Ca 0.23 -0.21 -0.05 0.00 -1.00 0.00 0.00 59.36 58.33 3f7s h GLU 8 Cb -0.09 -0.14 -0.03 0.00 0.50 0.00 0.00 28.75 28.98 3f7s h GLU 8 CO -0.05 0.87 0.23 0.82 -1.00 0.00 0.00 179.01 179.87 3f7s h ILE 9 N 0.92 1.25 -0.80 3.13 1.08 -0.69 -1.06 117.51 121.34 3f7s h ILE 9 Ca 0.21 -0.84 0.01 0.00 -0.39 0.00 0.00 64.86 63.85 3f7s h ILE 9 Cb 0.29 0.53 -0.04 0.00 -3.07 0.00 0.00 36.82 34.52 3f7s h ILE 9 CO -0.01 0.33 0.53 0.03 -0.69 0.00 0.00 178.15 178.34 3f7s h ARG 10 N 0.97 1.03 -0.55 2.37 3.08 -0.99 -0.25 114.38 120.04 3f7s h ARG 10 Ca 0.22 -0.06 -0.10 0.00 0.07 0.00 0.00 59.98 60.11 3f7s h ARG 10 Cb 0.27 -0.23 -0.02 0.00 0.08 0.00 0.00 29.97 30.07 3f7s h ARG 10 CO -0.01 0.68 -0.04 1.96 -1.07 0.00 0.00 179.97 181.49 3f7s h GLN 11 N 1.06 1.01 -0.30 0.04 4.20 -1.17 -1.43 115.11 118.51 3f7s h GLN 11 Ca 0.30 -0.34 0.05 0.00 0.06 0.00 0.00 58.65 58.71 3f7s h GLN 11 Cb -0.09 -0.08 -0.04 0.00 0.30 0.00 0.00 27.48 27.56 3f7s h GLN 11 CO -0.08 1.03 0.03 1.25 -0.67 0.00 0.00 178.83 180.39 3f7s h LEU 12 N 0.89 -0.05 -0.71 1.46 6.46 -0.72 -1.98 115.31 120.65 3f7s h LEU 12 Ca 0.15 0.06 0.02 0.00 -0.12 0.00 0.00 57.88 57.99 3f7s h LEU 12 Cb 0.60 0.09 -0.04 0.00 -0.73 0.00 0.00 40.66 40.58 3f7s h LEU 12 CO 0.04 0.01 0.47 0.40 -0.62 0.00 0.00 178.44 178.73 3f7s h ILE 13 N 0.13 1.15 -0.39 4.05 2.04 -0.79 -1.29 117.51 122.42 3f7s h ILE 13 Ca 0.14 -0.32 0.02 0.00 1.00 0.00 0.00 64.86 65.70 3f7s h ILE 13 Cb 0.17 0.14 -0.03 0.00 -0.74 0.00 0.00 36.82 36.36 3f7s h ILE 13 CO -0.22 0.17 0.22 -0.33 0.00 0.00 0.00 178.15 177.99 3f7s h GLU 14 N 0.94 0.42 -0.17 2.37 5.08 -0.88 -2.62 114.58 119.73 3f7s h GLU 14 Ca 0.27 -0.03 -0.14 0.00 -1.00 0.00 0.00 59.36 58.46 3f7s h GLU 14 Cb -0.07 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.08 3f7s h GLU 14 CO -0.07 0.28 -0.50 0.00 -1.00 0.00 0.00 179.01 177.72 3f7s h ARG 15 N 0.44 0.46 -0.96 2.33 2.47 -1.18 -2.65 114.38 115.28 3f7s h ARG 15 Ca 0.16 -0.26 0.00 0.00 -1.26 0.00 0.00 59.98 58.61 3f7s h ARG 15 Cb 0.03 0.02 0.00 0.00 -1.65 0.00 0.00 29.97 28.37 3f7s h ARG 15 CO -0.09 0.85 0.00 1.87 0.56 0.00 0.00 179.97 183.16 3f7s n TRP 16 N -3.97 0.00 0.00 3.04 -0.00 -0.50 -1.15 117.44 114.85 3f7s n TRP 16 Ca -0.02 -0.09 0.00 0.00 -0.00 0.00 0.00 57.50 57.38 3f7s n TRP 16 Cb 0.56 -0.10 0.00 0.00 -0.00 0.00 0.00 31.31 31.78 3f7s n TRP 16 CO 0.00 0.00 0.00 0.94 -0.00 0.00 0.00 177.69 178.63 3f7s n GLN 18 N 0.53 0.00 -0.28 5.87 7.27 -1.00 -1.57 117.38 128.20 3f7s n GLN 18 Ca 0.00 0.00 -0.03 0.00 0.07 0.00 0.00 57.00 57.04 3f7s n GLN 18 Cb 0.15 0.00 0.08 0.00 2.41 0.00 0.00 30.24 32.88 3f7s n GLN 18 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 3f7s h ALA 19 N 0.00 1.00 0.11 1.69 0.00 -1.42 0.16 119.26 120.80 3f7s h ALA 19 Ca 0.00 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.86 3f7s h ALA 19 Cb 0.00 -0.29 -0.00 0.00 0.00 0.00 0.00 17.79 17.50 3f7s h ALA 19 CO 0.00 0.36 -0.06 0.28 0.00 0.00 0.00 179.25 179.82 3f7s h VAL 20 N 1.01 0.87 -0.62 0.00 2.07 -1.57 -0.56 116.25 117.44 3f7s h VAL 20 Ca 0.30 0.00 -0.04 0.00 0.82 0.00 0.00 66.70 67.78 3f7s h VAL 20 Cb -0.06 0.87 -0.03 0.00 -1.52 0.00 0.00 31.29 30.55 3f7s h VAL 20 CO -0.09 0.00 0.23 0.03 0.02 0.00 0.00 177.57 177.77 3f7s h ARG 21 N -0.16 0.92 0.00 1.57 3.08 -1.76 -0.98 114.38 117.04 3f7s h ARG 21 Ca -0.01 -0.15 0.00 0.00 0.07 0.00 0.00 59.98 59.89 3f7s h ARG 21 Cb 0.13 -0.16 0.00 0.00 0.08 0.00 0.00 29.97 30.03 3f7s h ARG 21 CO 0.01 0.76 0.00 -0.25 -1.07 0.00 0.00 179.97 179.42 3f7s n ASP 22 N -4.31 0.00 -3.63 7.04 8.00 0.54 -4.89 116.55 119.30 3f7s n ASP 22 Ca 0.05 -0.81 -0.27 0.00 0.71 0.00 0.00 54.79 54.47 3f7s n ASP 22 Cb 0.18 0.00 0.01 0.00 -0.02 0.00 0.00 41.12 41.29 3f7s n ASP 22 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 3f7s n ARG 23 N -0.96 -4.52 -3.25 -1.24 1.74 -0.37 -4.91 116.66 103.15 3f7s n ARG 23 Ca 0.17 0.58 -0.46 0.00 -0.77 0.00 0.00 57.85 57.37 3f7s n ARG 23 Cb 0.08 -5.39 -0.01 0.00 -1.02 0.00 0.00 32.46 26.11 3f7s n ARG 23 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 3f7s s ASP 24 N -3.01 6.93 0.24 0.55 2.15 -0.33 -4.93 116.67 118.26 3f7s s ASP 24 Ca 0.54 -2.88 -0.05 0.00 0.43 0.00 0.00 52.55 50.59 3f7s s ASP 24 Cb -0.27 -2.25 0.40 0.00 -0.30 0.00 0.00 42.92 40.50 3f7s s ASP 24 CO 0.66 -0.57 1.78 0.40 -0.17 0.00 0.00 175.17 177.27 3f7s h ILE 25 N 4.60 0.82 -0.61 4.11 1.08 -1.91 0.34 117.51 125.94 3f7s h ILE 25 Ca 0.15 -0.22 0.01 0.00 -0.39 0.00 0.00 64.86 64.41 3f7s h ILE 25 Cb 0.98 0.13 -0.03 0.00 -3.07 0.00 0.00 36.82 34.83 3f7s h ILE 25 CO 0.91 0.12 0.40 -0.65 -0.69 0.00 0.00 178.15 178.23 3f7s h PRO 26 N 0.64 0.79 -0.12 2.37 0.11 -1.97 -1.93 132.00 131.88 3f7s h PRO 26 Ca 0.39 -0.05 -0.17 0.00 0.11 0.00 0.00 66.00 66.28 3f7s h PRO 26 Cb 0.45 -0.18 -0.01 0.00 0.11 0.00 0.00 31.00 31.37 3f7s h PRO 26 CO -0.29 0.52 -0.63 0.78 -0.21 0.00 0.00 178.00 178.16 3f7s h GLY 27 N 0.81 0.50 1.00 -0.55 0.00 -1.54 -1.72 103.07 101.56 3f7s h GLY 27 Ca 0.23 -0.63 0.00 0.00 0.00 0.00 0.00 47.33 46.92 3f7s h GLY 27 CO -0.05 0.57 0.36 -2.22 0.00 0.00 0.00 176.54 175.20 3f7s h ILE 28 N 0.33 1.15 0.00 2.60 2.04 -0.40 -3.27 117.51 119.96 3f7s h ILE 28 Ca -0.01 -0.30 0.00 0.00 1.00 0.00 0.00 64.86 65.55 3f7s h ILE 28 Cb 1.18 0.34 0.00 0.00 -0.74 0.00 0.00 36.82 37.61 3f7s h ILE 28 CO 0.11 0.15 -0.90 2.30 0.00 0.00 0.00 178.15 179.81 3f7s n ILE 29 N -4.68 0.14 -0.32 -0.67 -5.35 -0.78 -4.38 119.36 103.33 3f7s n ILE 29 Ca 0.04 -0.18 0.11 0.00 -0.27 0.00 0.00 62.75 62.45 3f7s n ILE 29 Cb 0.03 0.25 0.29 0.00 -1.74 0.00 0.00 39.64 38.47 3f7s n ILE 29 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3f7s h ALA 30 N 2.66 1.47 -0.04 -1.28 0.00 -1.36 -0.26 119.26 120.44 3f7s h ALA 30 Ca 0.00 0.11 0.00 0.00 0.00 0.00 0.00 54.91 55.02 3f7s h ALA 30 Cb 0.67 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.48 3f7s h ALA 30 CO 0.00 -0.17 0.00 -0.35 0.00 0.00 0.00 179.25 178.73 3f7s n PRO 31 N -4.89 1.34 -2.67 0.00 -0.04 -1.26 -4.90 135.00 122.56 3f7s n PRO 31 Ca 0.21 -0.50 -0.42 0.00 -0.04 0.00 0.00 63.50 62.76 3f7s n PRO 31 Cb 0.56 -1.43 -0.04 0.00 -0.04 0.00 0.00 33.50 32.55 3f7s n PRO 31 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 3f7s s TYR 32 N -1.96 3.70 0.67 0.54 2.02 -0.11 -0.62 117.35 121.58 3f7s s TYR 32 Ca 0.38 1.70 -0.17 0.00 -0.37 0.00 0.00 57.07 58.61 3f7s s TYR 32 Cb 0.19 -3.13 0.00 0.00 -0.40 0.00 0.00 41.96 38.62 3f7s s TYR 32 CO 0.31 -0.08 1.22 0.00 -1.57 0.00 0.00 175.55 175.42 3f7s s ALA 33 N 0.46 2.32 0.46 3.71 0.00 -0.10 -4.83 121.76 123.78 3f7s s ALA 33 Ca 0.50 0.95 0.14 0.00 0.00 0.00 0.00 51.96 53.56 3f7s s ALA 33 Cb -0.24 -3.47 1.09 0.00 0.00 0.00 0.00 23.12 20.51 3f7s s ALA 33 CO 0.30 -1.57 2.03 -0.44 0.00 0.00 0.00 175.76 176.08 3f7s h ASP 34 N 0.23 0.27 -0.63 0.00 3.32 -1.95 -2.58 116.42 115.08 3f7s h ASP 34 Ca -0.49 0.00 -0.19 0.00 0.02 0.00 0.00 57.03 56.38 3f7s h ASP 34 Cb 1.30 -0.06 -0.11 0.00 0.22 0.00 0.00 39.33 40.68 3f7s h ASP 34 CO 0.52 0.17 0.20 -0.90 -1.72 0.00 0.00 179.24 177.51 3f7s n ASP 35 N -4.47 4.43 -4.58 6.45 5.75 -1.26 -0.88 116.55 121.98 3f7s n ASP 35 Ca 0.06 -3.26 -0.48 0.00 -0.01 0.00 0.00 54.79 51.10 3f7s n ASP 35 Cb 0.28 -0.71 -0.03 0.00 -1.03 0.00 0.00 41.12 39.63 3f7s n ASP 35 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3f7s n ILE 36 N -0.34 1.12 -4.14 2.12 3.06 -0.97 -4.44 119.36 115.76 3f7s n ILE 36 Ca 0.38 -0.28 -0.34 0.00 -2.50 0.00 0.00 62.75 60.00 3f7s n ILE 36 Cb 1.28 -0.90 -0.14 0.00 0.54 0.00 0.00 39.64 40.42 3f7s n ILE 36 CO 0.00 0.00 0.00 -0.69 -2.50 0.00 0.00 176.55 173.36 3f7s s VAL 37 N -0.35 3.05 -0.08 9.51 1.01 -0.81 -0.48 120.40 132.25 3f7s s VAL 37 Ca 0.70 -0.62 0.03 0.00 0.00 0.00 0.00 61.98 62.10 3f7s s VAL 37 Cb -0.81 -2.35 0.01 0.00 0.00 0.00 0.00 36.38 33.23 3f7s s VAL 37 CO 0.53 0.47 -0.18 0.00 0.00 0.00 0.00 175.10 175.92 3f7s s ALA 38 N 1.19 1.69 -0.46 5.51 0.00 -0.48 -2.70 121.76 126.51 3f7s s ALA 38 Ca 0.02 -0.69 -0.14 0.00 0.00 0.00 0.00 51.96 51.15 3f7s s ALA 38 Cb -0.14 -0.67 0.08 0.00 0.00 0.00 0.00 23.12 22.39 3f7s s ALA 38 CO -0.03 0.21 0.36 -0.06 0.00 0.00 0.00 175.76 176.25 3f7s s PHE 39 N 0.44 3.28 0.58 0.00 0.08 0.38 -1.03 117.98 121.71 3f7s s PHE 39 Ca -0.15 -1.15 -0.05 0.00 0.12 0.00 0.00 56.93 55.71 3f7s s PHE 39 Cb -0.16 -3.17 0.01 0.00 -0.57 0.00 0.00 43.02 39.13 3f7s s PHE 39 CO 0.06 -0.83 0.87 0.34 -0.10 0.00 0.00 175.22 175.56 3f7s s ASP 40 N 2.55 5.52 0.43 1.36 2.15 -1.26 -0.43 116.67 126.98 3f7s s ASP 40 Ca 0.04 0.58 0.28 0.00 0.43 0.00 0.00 52.55 53.88 3f7s s ASP 40 Cb -0.24 -1.56 0.96 0.00 -0.30 0.00 0.00 42.92 41.77 3f7s s ASP 40 CO 0.05 -1.08 1.81 0.00 -0.17 0.00 0.00 175.17 175.78 3f7s h ALA 41 N -0.13 1.00 -2.45 3.66 0.00 -1.82 -3.44 119.26 116.08 3f7s h ALA 41 Ca -0.45 0.00 -0.36 0.00 0.00 0.00 0.00 54.91 54.10 3f7s h ALA 41 Cb 1.26 0.00 -0.16 0.00 0.00 0.00 0.00 17.79 18.90 3f7s h ALA 41 CO 0.60 0.00 -0.73 0.96 0.00 0.00 0.00 179.25 180.08 3f7s s ILE 42 N -3.41 1.22 0.00 0.00 -4.36 -1.26 -4.74 121.20 108.65 3f7s s ILE 42 Ca 0.04 -1.93 0.00 0.00 -0.26 0.00 0.00 60.65 58.50 3f7s s ILE 42 Cb 0.08 -1.72 0.00 0.00 1.25 0.00 0.00 42.46 42.08 3f7s s ILE 42 CO 0.56 -0.63 0.00 1.67 0.24 0.00 0.00 174.94 176.78 3f7s n GLN 43 N 0.07 0.00 -4.08 0.37 7.27 -1.26 -4.82 117.38 114.93 3f7s n GLN 43 Ca -0.12 0.00 -0.08 0.00 0.07 0.00 0.00 57.00 56.87 3f7s n GLN 43 Cb 0.59 -0.01 -0.10 0.00 2.41 0.00 0.00 30.24 33.13 3f7s n GLN 43 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 3f7s s ALA 44 N 0.00 0.49 0.14 1.69 0.00 -1.26 -5.05 121.76 117.76 3f7s s ALA 44 Ca 0.00 -1.12 -0.14 0.00 0.00 0.00 0.00 51.96 50.70 3f7s s ALA 44 Cb 0.00 0.24 0.01 0.00 0.00 0.00 0.00 23.12 23.37 3f7s s ALA 44 CO 0.00 -0.32 1.64 1.25 0.00 0.00 0.00 175.76 178.33 3f7s h LEU 45 N 3.38 0.70 -7.29 0.00 5.85 -1.92 -3.42 115.31 112.61 3f7s h LEU 45 Ca -0.34 -0.24 0.02 0.00 0.84 0.00 0.00 57.88 58.16 3f7s h LEU 45 Cb 1.15 -0.18 -0.10 0.00 0.37 0.00 0.00 40.66 41.90 3f7s h LEU 45 CO 0.62 0.75 0.24 0.00 -0.34 0.00 0.00 178.44 179.71 3f7s s GLN 46 N -5.28 1.38 -0.08 1.25 -2.07 -1.26 -4.53 119.66 109.07 3f7s s GLN 46 Ca -0.13 -0.60 0.03 0.00 -1.82 0.00 0.00 55.36 52.84 3f7s s GLN 46 Cb 0.11 0.58 0.01 0.00 -1.09 0.00 0.00 33.01 32.61 3f7s s GLN 46 CO 0.78 -0.62 -0.18 -0.06 -1.32 0.00 0.00 175.29 173.90 3f7s s PHE 47 N -3.74 1.94 -0.18 9.60 0.08 -0.20 -5.00 117.98 120.48 3f7s s PHE 47 Ca 0.04 -0.75 0.01 0.00 0.12 0.00 0.00 56.93 56.35 3f7s s PHE 47 Cb -0.02 -1.35 0.01 0.00 -0.57 0.00 0.00 43.02 41.09 3f7s s PHE 47 CO -0.07 -0.33 -0.18 0.15 -0.10 0.00 0.00 175.22 174.70 3f7s s LYS 48 N 0.47 3.06 0.00 0.44 1.02 -1.26 -1.38 119.74 122.09 3f7s s LYS 48 Ca -0.15 -0.80 0.00 0.00 0.02 0.00 0.00 55.97 55.03 3f7s s LYS 48 Cb -0.16 -2.61 0.00 0.00 -0.52 0.00 0.00 37.83 34.54 3f7s s LYS 48 CO 0.06 -0.16 0.00 0.41 -0.92 0.00 0.00 175.35 174.73 3f7s n GLY 49 N 4.52 1.43 0.27 -3.33 0.00 0.37 -4.50 105.19 103.95 3f7s n GLY 49 Ca -0.20 -1.66 -0.00 0.00 0.00 0.00 0.00 46.02 44.15 3f7s n GLY 49 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 3f7s h LYS 50 N 0.00 0.50 0.11 1.61 3.64 -1.19 -2.32 116.57 118.92 3f7s h LYS 50 Ca 0.00 -0.12 -0.01 0.00 -1.27 0.00 0.00 60.65 59.26 3f7s h LYS 50 Cb 0.00 -0.07 0.00 0.00 -0.41 0.00 0.00 32.23 31.75 3f7s h LYS 50 CO 0.00 0.56 -0.05 1.03 -2.27 0.00 0.00 179.45 178.72 3f7s h SER 51 N 0.48 -0.12 -0.77 4.20 0.87 -1.88 0.12 113.55 116.45 3f7s h SER 51 Ca 0.10 -0.27 0.04 0.00 -1.23 0.00 0.00 61.79 60.44 3f7s h SER 51 Cb 0.37 0.03 -0.05 0.00 -0.44 0.00 0.00 62.40 62.31 3f7s h SER 51 CO 0.02 0.21 0.48 0.00 -0.53 0.00 0.00 176.83 177.00 3f7s h ALA 52 N 0.38 1.02 -0.07 6.23 0.00 -1.77 -1.74 119.26 123.31 3f7s h ALA 52 Ca -0.01 -0.02 -0.14 0.00 0.00 0.00 0.00 54.91 54.74 3f7s h ALA 52 Cb 0.38 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 3f7s h ALA 52 CO 0.02 0.25 -0.57 -0.92 0.00 0.00 0.00 179.25 178.03 3f7s h TYR 53 N 0.91 0.26 -0.73 0.00 3.20 -1.28 -2.27 116.97 117.06 3f7s h TYR 53 Ca 0.32 -0.09 -0.01 0.00 3.14 0.00 0.00 58.73 62.09 3f7s h TYR 53 Cb 0.08 -0.05 -0.03 0.00 1.54 0.00 0.00 36.73 38.26 3f7s h TYR 53 CO -0.04 0.72 0.42 1.15 -1.64 0.00 0.00 178.16 178.77 3f7s h THR 54 N 0.16 1.21 -0.63 1.81 2.02 -0.48 -0.19 112.91 116.81 3f7s h THR 54 Ca -0.00 -0.51 -0.05 0.00 0.77 0.00 0.00 66.41 66.62 3f7s h THR 54 Cb 1.04 0.23 -0.03 0.00 -1.74 0.00 0.00 68.15 67.66 3f7s h THR 54 CO 0.09 0.23 0.20 0.00 0.37 0.00 0.00 175.52 176.40 3f7s h ALA 55 N 1.22 1.17 -0.08 6.16 0.00 -0.98 0.14 119.26 126.89 3f7s h ALA 55 Ca 0.26 -0.20 -0.02 0.00 0.00 0.00 0.00 54.91 54.96 3f7s h ALA 55 Cb 0.00 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 17.54 3f7s h ALA 55 CO -0.05 0.58 -0.01 1.25 0.00 0.00 0.00 179.25 181.02 3f7s h HIS 56 N 0.92 0.17 -0.87 0.00 6.17 -1.07 -3.08 115.15 117.38 3f7s h HIS 56 Ca 0.21 -0.03 0.08 0.00 0.71 0.00 0.00 60.37 61.33 3f7s h HIS 56 Cb 0.26 -0.04 -0.07 0.00 2.52 0.00 0.00 27.41 30.08 3f7s h HIS 56 CO 0.02 0.44 0.53 -1.49 0.71 0.00 0.00 177.93 178.14 3f7s h TRP 57 N -0.16 0.98 0.00 5.26 4.06 -0.70 -0.81 115.95 124.58 3f7s h TRP 57 Ca 0.02 0.03 0.00 0.00 2.06 0.00 0.00 58.89 61.00 3f7s h TRP 57 Cb 0.38 -0.31 0.00 0.00 -1.00 0.00 0.00 29.16 28.23 3f7s h TRP 57 CO 0.04 0.46 0.00 0.39 -3.56 0.00 0.00 178.44 175.77 3f7s n GLU 58 N -4.65 0.13 -0.41 0.49 1.02 0.01 -4.59 120.64 112.64 3f7s n GLU 58 Ca 0.14 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.28 3f7s n GLU 58 Cb 0.22 -1.20 0.00 0.00 -0.02 0.00 0.00 31.44 30.45 3f7s n GLU 58 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3f7s n GLY 62 N -0.02 0.00 0.00 0.00 0.00 -1.26 -5.04 105.19 98.87 3f7s n GLY 62 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3f7s n GLY 62 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3f7s s THR 65 N 0.00 4.12 0.00 0.00 2.01 -1.26 -4.97 115.64 115.54 3f7s s THR 65 Ca 0.00 0.83 0.00 0.00 0.31 0.00 0.00 61.69 62.83 3f7s s THR 65 Cb 0.00 -3.50 0.00 0.00 0.01 0.00 0.00 72.50 69.01 3f7s s THR 65 CO 0.00 -0.76 0.00 0.61 -0.69 0.00 0.00 174.62 173.78 3f7s n GLY 66 N -1.71 -3.23 0.00 4.40 0.00 -1.26 -5.06 105.19 98.32 3f7s n GLY 66 Ca 0.08 -1.95 0.00 0.00 0.00 0.00 0.00 46.02 44.15 3f7s n GLY 66 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3f7s n PRO 67 N -0.18 0.27 -4.15 1.61 -0.04 -1.26 -4.96 135.00 126.29 3f7s n PRO 67 Ca 0.00 0.00 -0.19 0.00 -0.04 0.00 0.00 63.50 63.27 3f7s n PRO 67 Cb 0.00 0.00 -0.16 0.00 -0.04 0.00 0.00 33.50 33.30 3f7s n PRO 67 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 3f7s s VAL 69 N -0.72 0.49 -0.39 0.52 1.01 0.58 -1.24 120.40 120.65 3f7s s VAL 69 Ca 0.00 -0.12 0.06 0.00 0.00 0.00 0.00 61.98 61.92 3f7s s VAL 69 Cb 0.00 -0.50 0.17 0.00 0.00 0.00 0.00 36.38 36.05 3f7s s VAL 69 CO 0.00 0.20 0.54 0.12 0.00 0.00 0.00 175.10 175.97 3f7s s PHE 70 N 0.76 -1.30 0.11 5.22 5.36 -1.23 -2.91 117.98 123.98 3f7s s PHE 70 Ca -0.10 0.00 -0.03 0.00 -0.96 0.00 0.00 56.93 55.85 3f7s s PHE 70 Cb -0.13 0.09 -0.03 0.00 -0.34 0.00 0.00 43.02 42.61 3f7s s PHE 70 CO 0.00 -1.11 0.07 -1.83 -1.46 0.00 0.00 175.22 170.90 3f7s s GLU 71 N 1.82 0.86 0.21 10.12 -1.05 -0.86 -4.91 118.70 124.89 3f7s s GLU 71 Ca 0.16 -1.30 0.08 0.00 -0.15 0.00 0.00 54.97 53.75 3f7s s GLU 71 Cb -0.08 0.26 -0.05 0.00 -0.44 0.00 0.00 34.13 33.82 3f7s s GLU 71 CO -0.08 -0.24 -0.15 -0.48 0.95 0.00 0.00 175.26 175.26 3f7s s LEU 72 N -2.99 2.56 0.01 1.83 0.05 -1.26 -0.92 118.68 117.97 3f7s s LEU 72 Ca 0.17 -1.02 -0.03 0.00 0.05 0.00 0.00 54.13 53.30 3f7s s LEU 72 Cb 0.07 -0.71 -0.01 0.00 -2.05 0.00 0.00 46.19 43.48 3f7s s LEU 72 CO -0.03 -0.15 0.04 0.00 -0.55 0.00 0.00 176.35 175.66 3f7s s ALA 73 N -2.92 -0.06 -1.25 1.48 0.00 0.33 -4.96 121.76 114.39 3f7s s ALA 73 Ca 0.23 -0.41 -0.01 0.00 0.00 0.00 0.00 51.96 51.77 3f7s s ALA 73 Cb -0.01 0.14 0.00 0.00 0.00 0.00 0.00 23.12 23.25 3f7s s ALA 73 CO 0.08 -0.18 0.92 1.04 0.00 0.00 0.00 175.76 177.61 3f7s n GLN 74 N 1.51 -6.18 -2.16 0.00 6.02 -1.26 -0.76 117.38 114.54 3f7s n GLN 74 Ca -0.23 0.78 -0.42 0.00 -0.01 0.00 0.00 57.00 57.11 3f7s n GLN 74 Cb 0.55 -5.66 -0.03 0.00 1.02 0.00 0.00 30.24 26.12 3f7s n GLN 74 CO 0.00 0.00 0.00 -1.17 -1.01 0.00 0.00 177.06 174.88 3f7s s LEU 75 N -6.52 4.32 -0.08 1.08 2.96 -1.26 -4.43 118.68 114.75 3f7s s LEU 75 Ca 0.04 2.16 0.05 0.00 -0.22 0.00 0.00 54.13 56.17 3f7s s LEU 75 Cb -0.02 -3.56 -0.00 0.00 0.50 0.00 0.00 46.19 43.11 3f7s s LEU 75 CO 0.76 -0.78 -0.24 -0.89 -1.32 0.00 0.00 176.35 173.87 3f7s s THR 76 N 2.73 2.05 -0.06 3.68 2.01 -0.28 -5.01 115.64 120.76 3f7s s THR 76 Ca 0.66 -1.04 0.01 0.00 0.31 0.00 0.00 61.69 61.64 3f7s s THR 76 Cb -0.32 -1.75 0.02 0.00 0.01 0.00 0.00 72.50 70.45 3f7s s THR 76 CO 0.27 0.56 -0.07 -0.69 -0.69 0.00 0.00 174.62 174.00 3f7s s VAL 77 N 0.11 0.79 -0.03 3.82 1.01 -1.26 -1.37 120.40 123.48 3f7s s VAL 77 Ca -0.12 -0.26 0.04 0.00 0.00 0.00 0.00 61.98 61.64 3f7s s VAL 77 Cb -0.16 -0.78 -0.00 0.00 0.00 0.00 0.00 36.38 35.44 3f7s s VAL 77 CO 0.07 0.29 -0.14 -1.00 0.00 0.00 0.00 175.10 174.32 3f7s s HIS 78 N 0.95 1.34 -0.09 5.22 3.76 -0.03 -5.02 115.29 121.43 3f7s s HIS 78 Ca -0.10 -0.34 -0.07 0.00 -0.15 0.00 0.00 55.06 54.40 3f7s s HIS 78 Cb -0.15 -0.91 0.03 0.00 1.11 0.00 0.00 32.58 32.66 3f7s s HIS 78 CO 0.00 -0.11 0.22 0.00 -0.85 0.00 0.00 174.74 174.00 3f7s s ALA 79 N 0.01 -0.53 -0.17 -1.40 0.00 -1.26 -0.84 121.76 117.57 3f7s s ALA 79 Ca -0.01 0.69 -0.05 0.00 0.00 0.00 0.00 51.96 52.59 3f7s s ALA 79 Cb -0.09 -0.42 0.08 0.00 0.00 0.00 0.00 23.12 22.69 3f7s s ALA 79 CO 0.01 -0.12 0.33 0.00 0.00 0.00 0.00 175.76 175.97 3f7s s ALA 80 N 0.40 -0.80 0.00 0.00 0.00 -0.68 -0.32 121.76 120.36 3f7s s ALA 80 Ca -0.02 1.10 0.00 0.00 0.00 0.00 0.00 51.96 53.03 3f7s s ALA 80 Cb -0.04 -1.21 0.00 0.00 0.00 0.00 0.00 23.12 21.88 3f7s s ALA 80 CO -0.02 -0.77 0.00 0.41 0.00 0.00 0.00 175.76 175.38 3f7s n GLY 81 N 5.37 2.28 0.96 0.00 0.00 -1.26 -2.27 105.19 110.26 3f7s n GLY 81 Ca -0.07 0.30 0.09 0.00 0.00 0.00 0.00 46.02 46.34 3f7s n GLY 81 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3f7s n ASP 82 N 10.97 3.19 -4.21 1.61 8.00 -1.26 -4.85 116.55 129.99 3f7s n ASP 82 Ca 0.00 -1.92 -0.25 0.00 0.71 0.00 0.00 54.79 53.33 3f7s n ASP 82 Cb 0.00 -0.24 -0.14 0.00 -0.02 0.00 0.00 41.12 40.71 3f7s n ASP 82 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 3f7s s LEU 83 N -1.21 2.12 0.05 0.64 2.96 -0.96 -0.16 118.68 122.12 3f7s s LEU 83 Ca 0.33 -0.45 -0.05 0.00 -0.22 0.00 0.00 54.13 53.74 3f7s s LEU 83 Cb 0.19 -0.92 -0.02 0.00 0.50 0.00 0.00 46.19 45.94 3f7s s LEU 83 CO 0.25 0.17 0.09 0.00 -1.32 0.00 0.00 176.35 175.54 3f7s s ALA 84 N -0.68 0.02 -0.02 5.97 0.00 -0.58 -1.68 121.76 124.79 3f7s s ALA 84 Ca 0.07 -0.69 0.02 0.00 0.00 0.00 0.00 51.96 51.35 3f7s s ALA 84 Cb -0.08 0.30 0.00 0.00 0.00 0.00 0.00 23.12 23.34 3f7s s ALA 84 CO 0.01 -0.36 -0.07 -1.17 0.00 0.00 0.00 175.76 174.17 3f7s s LEU 85 N -2.40 1.83 0.06 0.00 2.96 -0.02 -0.60 118.68 120.50 3f7s s LEU 85 Ca -0.01 -0.14 0.02 0.00 -0.22 0.00 0.00 54.13 53.79 3f7s s LEU 85 Cb 0.02 -0.41 -0.03 0.00 0.50 0.00 0.00 46.19 46.26 3f7s s LEU 85 CO -0.07 0.05 -0.08 0.00 -1.32 0.00 0.00 176.35 174.94 3f7s s ALA 86 N 0.12 0.71 0.01 5.97 0.00 0.32 -0.85 121.76 128.04 3f7s s ALA 86 Ca -0.01 -0.93 -0.12 0.00 0.00 0.00 0.00 51.96 50.90 3f7s s ALA 86 Cb -0.06 0.07 0.01 0.00 0.00 0.00 0.00 23.12 23.14 3f7s s ALA 86 CO -0.00 -0.07 0.24 -3.38 0.00 0.00 0.00 175.76 172.55 3f7s s HIS 87 N -1.96 -0.07 0.13 0.00 -3.43 -0.47 -0.29 115.29 109.21 3f7s s HIS 87 Ca -0.04 0.02 -0.25 0.00 -0.80 0.00 0.00 55.06 53.99 3f7s s HIS 87 Cb -0.06 0.03 0.07 0.00 -1.43 0.00 0.00 32.58 31.19 3f7s s HIS 87 CO -0.01 -0.38 0.79 1.67 -2.00 0.00 0.00 174.74 174.81 3f7s s TRP 88 N -1.71 -0.32 -0.14 0.38 -2.14 -0.31 -1.12 118.94 113.58 3f7s s TRP 88 Ca -0.11 0.07 -0.07 0.00 2.66 0.00 0.00 56.10 58.64 3f7s s TRP 88 Cb -0.05 0.60 -0.04 0.00 -3.10 0.00 0.00 33.47 30.88 3f7s s TRP 88 CO 0.01 -0.82 0.11 -0.51 -2.66 0.00 0.00 176.95 173.08 3f7s s LEU 89 N -2.74 4.20 -0.24 -4.66 1.43 0.06 -1.31 118.68 115.41 3f7s s LEU 89 Ca 0.07 0.34 0.01 0.00 -1.03 0.00 0.00 54.13 53.52 3f7s s LEU 89 Cb -0.02 -2.04 0.06 0.00 0.03 0.00 0.00 46.19 44.22 3f7s s LEU 89 CO -0.05 0.32 -0.07 0.21 0.23 0.00 0.00 176.35 177.00 3f7s s ASN 90 N -0.52 4.03 -0.03 2.29 2.47 -1.26 -0.51 114.94 121.41 3f7s s ASN 90 Ca 0.12 -1.25 -0.30 0.00 0.42 0.00 0.00 52.86 51.85 3f7s s ASN 90 Cb -0.12 -1.29 -0.03 0.00 -1.45 0.00 0.00 41.25 38.37 3f7s s ASN 90 CO 0.02 -0.22 1.03 -0.60 -3.72 0.00 0.00 177.10 173.60 3f7s s ARG 91 N 1.31 4.49 0.13 0.43 3.52 -0.10 -4.33 118.95 124.39 3f7s s ARG 91 Ca -0.07 1.46 -0.12 0.00 -0.13 0.00 0.00 55.73 56.88 3f7s s ARG 91 Cb -0.19 -3.48 0.01 0.00 -1.56 0.00 0.00 34.95 29.72 3f7s s ARG 91 CO -0.06 -0.19 0.30 0.00 -0.81 0.00 0.00 175.30 174.54 3f7s n GLY 93 N -0.17 -1.24 3.67 0.00 0.00 -1.15 -1.06 105.19 105.25 3f7s n GLY 93 Ca -0.13 -1.57 -0.45 0.00 0.00 0.00 0.00 46.02 43.87 3f7s n GLY 93 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3f7s n PRO 94 N -1.22 2.59 0.30 1.61 -0.04 -1.26 -0.31 135.00 136.66 3f7s n PRO 94 Ca 0.00 0.95 0.16 0.00 -0.04 0.00 0.00 63.50 64.57 3f7s n PRO 94 Cb 0.00 -2.85 0.92 0.00 -0.04 0.00 0.00 33.50 31.52 3f7s n PRO 94 CO 0.00 0.00 0.00 0.78 -0.04 0.00 0.00 175.50 176.24 3f7s h GLY 95 N 9.87 0.00 0.99 0.55 0.00 -1.54 -2.56 103.07 110.37 3f7s h GLY 95 Ca -0.49 0.00 -0.14 0.00 0.00 0.00 0.00 47.33 46.70 3f7s h GLY 95 CO 0.94 0.00 -0.38 1.29 0.00 0.00 0.00 176.54 178.39 3f7s h ASP 96 N 0.00 0.77 -3.65 0.19 -0.00 -1.91 -3.43 116.42 108.38 3f7s h ASP 96 Ca -0.00 -0.52 -0.62 0.00 -0.00 0.00 0.00 57.03 55.89 3f7s h ASP 96 Cb 0.14 -0.22 -0.38 0.00 -0.00 0.00 0.00 39.33 38.87 3f7s h ASP 96 CO 0.01 1.14 -0.78 -0.62 -0.00 0.00 0.00 179.24 178.98 3f7s s ASP 97 N -6.65 4.06 0.12 4.15 2.15 -0.97 -4.99 116.67 114.54 3f7s s ASP 97 Ca -0.12 -1.34 0.22 0.00 0.43 0.00 0.00 52.55 51.74 3f7s s ASP 97 Cb 0.08 -1.27 0.89 0.00 -0.30 0.00 0.00 42.92 42.32 3f7s s ASP 97 CO 0.84 -0.25 1.69 -0.62 -0.17 0.00 0.00 175.17 176.66 3f7s n GLU 98 N 4.60 0.11 0.23 4.34 -0.58 -1.26 -2.00 120.64 126.09 3f7s n GLU 98 Ca -0.10 0.25 0.16 0.00 -0.42 0.00 0.00 57.16 57.05 3f7s n GLU 98 Cb 0.43 -1.67 0.76 0.00 -0.57 0.00 0.00 31.44 30.39 3f7s n GLU 98 CO 0.00 0.00 0.00 0.66 -0.48 0.00 0.00 177.13 177.31 3f7s h SER 99 N 0.00 0.00 -0.35 1.62 4.64 -1.94 -2.95 113.55 114.56 3f7s h SER 99 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3f7s h SER 99 Cb 0.43 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.52 3f7s h SER 99 CO 0.00 0.00 0.00 1.67 -0.87 0.00 0.00 176.83 177.63 3f7s n GLN 100 N -2.70 3.16 -3.78 4.77 0.00 -0.85 -4.97 117.38 113.02 3f7s n GLN 100 Ca -0.00 -2.66 -0.36 0.00 -0.00 0.00 0.00 57.00 53.97 3f7s n GLN 100 Cb 0.17 -1.73 -0.12 0.00 0.00 0.00 0.00 30.24 28.56 3f7s n GLN 100 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 3f7s n GLY 102 N 4.49 3.56 3.98 0.00 0.00 -0.22 -4.80 105.19 112.20 3f7s n GLY 102 Ca -0.01 -2.36 -0.23 0.00 0.00 0.00 0.00 46.02 43.42 3f7s n GLY 102 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3f7s s PHE 103 N -2.82 2.09 0.03 1.61 0.08 -1.25 -0.70 117.98 117.02 3f7s s PHE 103 Ca 0.01 -0.17 0.03 0.00 0.12 0.00 0.00 56.93 56.92 3f7s s PHE 103 Cb 0.00 -2.89 -0.02 0.00 -0.57 0.00 0.00 43.02 39.54 3f7s s PHE 103 CO 0.01 -1.38 -0.08 1.03 -0.10 0.00 0.00 175.22 174.69 3f7s s ARG 105 N -5.00 0.58 -0.03 0.44 3.00 -0.16 -4.87 118.95 112.90 3f7s s ARG 105 Ca 0.63 -0.60 0.02 0.00 0.00 0.00 0.00 55.73 55.77 3f7s s ARG 105 Cb -0.07 -0.45 0.01 0.00 0.00 0.00 0.00 34.95 34.44 3f7s s ARG 105 CO 0.42 0.10 -0.06 0.00 0.00 0.00 0.00 175.30 175.76 3f7s s ALA 106 N -0.92 0.68 -0.03 2.13 0.00 -0.43 -1.69 121.76 121.49 3f7s s ALA 106 Ca -0.04 -0.17 0.03 0.00 0.00 0.00 0.00 51.96 51.78 3f7s s ALA 106 Cb -0.07 -0.32 -0.00 0.00 0.00 0.00 0.00 23.12 22.73 3f7s s ALA 106 CO 0.00 0.06 -0.13 0.99 0.00 0.00 0.00 175.76 176.69 3f7s s THR 107 N 0.47 1.12 -0.02 0.00 2.01 -0.14 -1.16 115.64 117.93 3f7s s THR 107 Ca -0.06 -0.55 0.01 0.00 0.31 0.00 0.00 61.69 61.40 3f7s s THR 107 Cb -0.10 -0.97 0.01 0.00 0.01 0.00 0.00 72.50 71.44 3f7s s THR 107 CO 0.00 0.33 -0.04 -0.69 -0.69 0.00 0.00 174.62 173.54 3f7s s VAL 108 N 0.09 0.37 -0.06 3.82 1.01 0.61 -0.97 120.40 125.26 3f7s s VAL 108 Ca -0.03 -0.13 0.02 0.00 0.00 0.00 0.00 61.98 61.84 3f7s s VAL 108 Cb -0.10 -0.36 -0.03 0.00 0.00 0.00 0.00 36.38 35.90 3f7s s VAL 108 CO 0.01 0.14 -0.09 -0.83 0.00 0.00 0.00 175.10 174.32 3f7s s GLY 109 N 0.32 1.64 0.09 4.51 0.00 0.01 -0.52 107.32 113.37 3f7s s GLY 109 Ca -0.03 -0.93 0.06 0.00 0.00 0.00 0.00 44.72 43.81 3f7s s GLY 109 CO -0.00 -0.71 -0.14 -0.19 0.00 0.00 0.00 173.10 172.05 3f7s s TYR 110 N -0.79 1.32 -0.01 1.90 1.51 0.23 -0.88 117.35 120.63 3f7s s TYR 110 Ca 0.12 -0.50 0.00 0.00 -1.01 0.00 0.00 57.07 55.68 3f7s s TYR 110 Cb -0.11 -0.72 0.01 0.00 -0.11 0.00 0.00 41.96 41.03 3f7s s TYR 110 CO 0.01 0.10 0.01 0.50 -1.11 0.00 0.00 175.55 175.06 3f7s s ARG 111 N -2.14 0.04 -0.32 -0.62 3.52 -0.05 -1.53 118.95 117.86 3f7s s ARG 111 Ca 0.03 0.05 -0.22 0.00 -0.13 0.00 0.00 55.73 55.46 3f7s s ARG 111 Cb -0.08 -0.14 -0.00 0.00 -1.56 0.00 0.00 34.95 33.17 3f7s s ARG 111 CO 0.03 -0.05 0.72 0.50 -0.81 0.00 0.00 175.30 175.68 3f7s s ARG 112 N 0.40 3.90 -0.17 5.12 3.52 0.78 -1.12 118.95 131.38 3f7s s ARG 112 Ca -0.03 0.42 -0.14 0.00 -0.13 0.00 0.00 55.73 55.84 3f7s s ARG 112 Cb -0.05 -3.74 0.05 0.00 -1.56 0.00 0.00 34.95 29.64 3f7s s ARG 112 CO -0.01 -0.66 0.45 1.14 -0.81 0.00 0.00 175.30 175.41 3f7s s GLN 113 N 2.83 0.51 -1.43 5.12 -2.07 0.80 -4.84 119.66 120.57 3f7s s GLN 113 Ca 0.29 0.68 -0.00 0.00 -1.82 0.00 0.00 55.36 54.51 3f7s s GLN 113 Cb -0.14 0.20 0.00 0.00 -1.09 0.00 0.00 33.01 31.97 3f7s s GLN 113 CO 0.13 -0.08 0.05 0.41 -1.32 0.00 0.00 175.29 174.47 3f7s n GLY 114 N 3.17 -0.33 2.52 2.60 0.00 -1.26 -2.09 105.19 109.80 3f7s n GLY 114 Ca -0.16 -0.16 -0.13 0.00 0.00 0.00 0.00 46.02 45.58 3f7s n GLY 114 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3f7s n GLY 115 N -1.05 1.30 3.11 -0.02 0.00 -1.26 -5.02 105.19 102.25 3f7s n GLY 115 Ca -0.19 -0.22 -0.14 0.00 0.00 0.00 0.00 46.02 45.47 3f7s n GLY 115 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 3f7s s GLN 116 N -2.96 0.67 0.03 1.61 -2.07 -0.89 -5.13 119.66 110.92 3f7s s GLN 116 Ca 0.00 -0.95 -0.30 0.00 -1.82 0.00 0.00 55.36 52.29 3f7s s GLN 116 Cb 0.00 -0.39 -0.04 0.00 -1.09 0.00 0.00 33.01 31.49 3f7s s GLN 116 CO 0.00 0.06 0.96 -1.58 -1.32 0.00 0.00 175.29 173.41 3f7s s TRP 117 N -1.93 3.70 0.09 9.60 0.52 -1.26 -0.14 118.94 129.51 3f7s s TRP 117 Ca -0.03 1.70 0.08 0.00 0.02 0.00 0.00 56.10 57.88 3f7s s TRP 117 Cb -0.06 -3.09 -0.03 0.00 -1.15 0.00 0.00 33.47 29.14 3f7s s TRP 117 CO -0.00 0.05 -0.20 -0.65 0.02 0.00 0.00 176.95 176.17 3f7s s GLN 118 N 0.73 1.16 -0.19 4.98 -0.21 -0.27 -4.96 119.66 120.89 3f7s s GLN 118 Ca 0.50 -1.09 -0.29 0.00 0.02 0.00 0.00 55.36 54.49 3f7s s GLN 118 Cb -0.21 -1.37 -0.00 0.00 1.00 0.00 0.00 33.01 32.42 3f7s s GLN 118 CO 0.28 0.33 1.12 0.08 -2.12 0.00 0.00 175.29 174.98 3f7s s VAL 119 N -1.08 4.53 -0.45 1.09 1.01 0.21 -0.87 120.40 124.84 3f7s s VAL 119 Ca 0.06 1.85 0.16 0.00 0.00 0.00 0.00 61.98 64.05 3f7s s VAL 119 Cb -0.10 -4.19 -0.21 0.00 0.00 0.00 0.00 36.38 31.88 3f7s s VAL 119 CO 0.04 -0.15 0.55 2.30 0.00 0.00 0.00 175.10 177.84 3f7s n ILE 120 N 5.27 0.00 -3.63 2.22 -5.35 -0.06 -0.92 119.36 116.88 3f7s n ILE 120 Ca 0.12 -0.23 -0.14 0.00 -0.27 0.00 0.00 62.75 62.23 3f7s n ILE 120 Cb 0.46 0.63 -0.07 0.00 -1.74 0.00 0.00 39.64 38.92 3f7s n ILE 120 CO 0.00 0.00 0.00 -2.28 -1.76 0.00 0.00 176.55 172.51 3f7s s HIS 121 N -2.79 -0.74 0.03 4.28 5.04 -1.04 -1.92 115.29 118.15 3f7s s HIS 121 Ca 0.01 1.75 0.03 0.00 -1.54 0.00 0.00 55.06 55.31 3f7s s HIS 121 Cb 0.12 0.27 -0.02 0.00 0.04 0.00 0.00 32.58 32.99 3f7s s HIS 121 CO 0.68 -0.39 -0.09 -1.21 -2.34 0.00 0.00 174.74 171.40 3f7s s GLU 122 N 0.20 0.58 -0.13 2.88 2.02 -1.10 -0.81 118.70 122.34 3f7s s GLU 122 Ca -0.01 -0.65 -0.04 0.00 0.02 0.00 0.00 54.97 54.29 3f7s s GLU 122 Cb -0.04 -0.45 0.06 0.00 0.10 0.00 0.00 34.13 33.80 3f7s s GLU 122 CO 0.02 0.10 0.15 -1.58 0.02 0.00 0.00 175.26 173.97 3f7s s HIS 123 N -1.02 -0.11 -0.04 1.61 2.46 -0.14 -0.47 115.29 117.59 3f7s s HIS 123 Ca -0.05 0.28 0.07 0.00 0.47 0.00 0.00 55.06 55.82 3f7s s HIS 123 Cb -0.08 -0.40 -0.02 0.00 -0.13 0.00 0.00 32.58 31.95 3f7s s HIS 123 CO 0.01 -0.41 -0.24 -1.58 -2.47 0.00 0.00 174.74 170.05 3f7s s TRP 124 N 2.26 2.42 0.10 3.88 0.52 0.43 -0.96 118.94 127.58 3f7s s TRP 124 Ca 0.04 -0.47 -0.26 0.00 0.02 0.00 0.00 56.10 55.43 3f7s s TRP 124 Cb -0.14 -1.55 0.08 0.00 -1.15 0.00 0.00 33.47 30.71 3f7s s TRP 124 CO -0.08 -0.05 0.80 -1.54 0.02 0.00 0.00 176.95 176.09 3f7s s SER 125 N -0.50 -0.38 0.02 2.95 1.04 -0.68 -2.37 113.70 113.77 3f7s s SER 125 Ca 0.07 -0.13 0.04 0.00 0.48 0.00 0.00 55.95 56.41 3f7s s SER 125 Cb -0.11 0.50 -0.03 0.00 0.10 0.00 0.00 66.02 66.48 3f7s s SER 125 CO 0.00 -0.84 -0.09 0.00 0.98 0.00 0.00 173.24 173.29 3f7s s ALA 126 N -3.41 2.94 0.70 5.32 0.00 -1.26 -0.99 121.76 125.05 3f7s s ALA 126 Ca 0.06 -1.07 -0.13 0.00 0.00 0.00 0.00 51.96 50.82 3f7s s ALA 126 Cb -0.02 -1.04 0.02 0.00 0.00 0.00 0.00 23.12 22.08 3f7s s ALA 126 CO -0.07 0.61 1.09 -1.25 0.00 0.00 0.00 175.76 176.14 3f7s s PRO 127 N -1.50 2.68 0.35 0.00 0.04 -1.26 -4.82 135.00 130.49 3f7s s PRO 127 Ca 0.17 1.24 0.07 0.00 0.04 0.00 0.00 61.00 62.52 3f7s s PRO 127 Cb -0.11 -1.95 -0.07 0.00 0.04 0.00 0.00 34.50 32.42 3f7s s PRO 127 CO 0.08 -1.32 -0.03 -0.59 0.04 0.00 0.00 177.00 175.18 3f7s s PHE 128 N -2.64 2.29 0.00 0.56 -0.12 -1.26 -0.12 117.98 116.68 3f7s s PHE 128 Ca 0.63 -0.67 0.00 0.00 -0.05 0.00 0.00 56.93 56.84 3f7s s PHE 128 Cb -0.18 -1.46 0.00 0.00 -0.63 0.00 0.00 43.02 40.75 3f7s s PHE 128 CO 0.48 0.38 0.00 -3.47 -0.05 0.00 0.00 175.22 172.56 3f7s n ASP 129 N -0.80 0.00 0.00 1.98 2.03 0.04 -4.87 116.55 114.93 3f7s n ASP 129 Ca -0.05 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.26 3f7s n ASP 129 Cb 0.65 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 41.05 3f7s n ASP 129 CO 0.00 0.00 0.00 -1.84 -1.92 0.00 0.00 177.20 173.44 3f7s n GLU 131 N 0.00 0.00 0.11 -0.67 0.28 -1.26 0.32 120.64 119.41 3f7s n GLU 131 Ca 0.00 0.00 0.13 0.00 -0.16 0.00 0.00 57.16 57.13 3f7s n GLU 131 Cb 0.00 0.00 0.41 0.00 1.43 0.00 0.00 31.44 33.28 3f7s n GLU 131 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 177.13 177.22 3f7s n THR 132 N 0.00 0.60 -2.26 3.84 -2.24 -1.26 -4.93 114.28 108.03 3f7s n THR 132 Ca 0.00 -0.27 -0.07 0.00 -2.27 0.00 0.00 64.05 61.45 3f7s n THR 132 Cb 0.00 -0.61 -0.01 0.00 -2.10 0.00 0.00 70.33 67.62 3f7s n THR 132 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3f7s n GLN 133 N -2.26 -2.35 -3.82 -0.78 6.02 0.15 -4.96 117.38 109.38 3f7s n GLN 133 Ca 0.05 0.33 -0.33 0.00 -0.01 0.00 0.00 57.00 57.04 3f7s n GLN 133 Cb 0.42 -4.81 -0.05 0.00 1.02 0.00 0.00 30.24 26.83 3f7s n GLN 133 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 177.06 176.20 3f7s s LYS 134 N -4.60 3.52 0.29 -1.09 1.02 -1.25 -4.78 119.74 112.84 3f7s s LYS 134 Ca 0.00 -0.21 -0.29 0.00 0.02 0.00 0.00 55.97 55.49 3f7s s LYS 134 Cb 0.00 -3.04 -0.10 0.00 -0.52 0.00 0.00 37.83 34.17 3f7s s LYS 134 CO 0.00 0.62 1.33 0.00 -0.92 0.00 0.00 175.35 176.38 3f7s s ALA 135 N -1.39 3.53 -0.31 5.17 0.00 -1.26 -0.78 121.76 126.71 3f7s s ALA 135 Ca 0.31 1.24 -0.13 0.00 0.00 0.00 0.00 51.96 53.38 3f7s s ALA 135 Cb -0.13 -3.49 -0.03 0.00 0.00 0.00 0.00 23.12 19.47 3f7s s ALA 135 CO 0.20 -0.63 0.26 -0.51 0.00 0.00 0.00 175.76 175.08 3f7s s LEU 136 N -1.19 4.29 -0.00 0.00 1.43 0.82 -4.88 118.68 119.15 3f7s s LEU 136 Ca 0.52 -0.17 0.12 0.00 -1.03 0.00 0.00 54.13 53.56 3f7s s LEU 136 Cb -0.39 -2.20 -0.13 0.00 0.03 0.00 0.00 46.19 43.49 3f7s s LEU 136 CO 0.48 -0.19 0.46 0.49 0.23 0.00 0.00 176.35 177.83 3f7s n PHE 137 N 5.17 0.00 -0.95 0.29 3.72 -1.26 -4.41 117.46 120.01 3f7s n PHE 137 Ca -0.12 0.00 0.06 0.00 -0.05 0.00 0.00 57.45 57.34 3f7s n PHE 137 Cb 0.50 -0.04 0.36 0.00 -0.94 0.00 0.00 39.48 39.37 3f7s n PHE 137 CO 0.00 0.00 0.00 -0.40 -0.05 0.00 0.00 176.76 176.31 3f7s n ASP 138 N -1.36 5.16 -4.82 4.37 5.75 -1.26 -3.86 116.55 120.53 3f7s n ASP 138 Ca 0.02 -3.00 -0.35 0.00 -0.01 0.00 0.00 54.79 51.45 3f7s n ASP 138 Cb 0.20 -0.66 -0.06 0.00 -1.03 0.00 0.00 41.12 39.57 3f7s n ASP 138 CO 0.00 0.00 0.00 -0.76 -0.11 0.00 0.00 177.20 176.33 3f7s s LEU 139 N -2.82 4.20 0.23 -2.12 1.43 -1.26 -5.05 118.68 113.29 3f7s s LEU 139 Ca 0.52 1.54 -0.08 0.00 -1.03 0.00 0.00 54.13 55.08 3f7s s LEU 139 Cb 0.40 -4.00 -0.07 0.00 0.03 0.00 0.00 46.19 42.56 3f7s s LEU 139 CO 0.14 -0.12 0.53 -1.59 0.23 0.00 0.00 176.35 175.53 3f7s s LYS 140 N -2.46 3.75 0.00 1.70 0.00 -1.26 -4.60 119.74 116.87 3f7s s LYS 140 Ca 0.51 0.18 0.00 0.00 0.00 0.00 0.00 55.97 56.67 3f7s s LYS 140 Cb -0.14 -2.67 0.00 0.00 0.00 0.00 0.00 37.83 35.02 3f7s s LYS 140 CO 0.19 0.32 0.41 -2.30 0.00 0.00 0.00 175.35 173.97