#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2fbw n LYS 4 N 0.00 1.46 -0.36 4.33 5.02 -1.26 -4.76 118.16 122.59 2fbw n LYS 4 Ca 0.00 -2.97 0.07 0.00 -2.02 0.00 0.00 58.31 53.39 2fbw n LYS 4 Cb 0.00 -1.57 0.24 0.00 -0.02 0.00 0.00 35.03 33.68 2fbw n LYS 4 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2fbw h ALA 5 N 0.55 1.52 0.20 7.82 0.00 -2.05 -0.62 119.26 126.68 2fbw h ALA 5 Ca 0.00 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 2fbw h ALA 5 Cb 1.01 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.59 2fbw h ALA 5 CO 0.01 0.24 -0.10 0.00 0.00 0.00 0.00 179.25 179.40 2fbw h ALA 6 N 1.53 -0.27 -0.25 0.00 0.00 -2.00 -1.04 119.26 117.23 2fbw h ALA 6 Ca 0.49 -0.14 -0.08 0.00 0.00 0.00 0.00 54.91 55.18 2fbw h ALA 6 Cb 0.46 0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.34 2fbw h ALA 6 CO -0.25 -0.55 -0.18 0.66 0.00 0.00 0.00 179.25 178.93 2fbw h SER 7 N -0.47 0.44 -0.24 0.00 4.64 -1.88 -2.08 113.55 113.96 2fbw h SER 7 Ca -0.03 -0.13 -0.00 0.00 -0.47 0.00 0.00 61.79 61.16 2fbw h SER 7 Cb 0.36 -0.12 -0.01 0.00 -0.31 0.00 0.00 62.40 62.32 2fbw h SER 7 CO 0.05 0.64 0.14 -0.07 -0.87 0.00 0.00 176.83 176.72 2fbw h LEU 8 N 0.41 0.30 -0.28 5.97 3.38 -1.01 0.24 115.31 124.33 2fbw h LEU 8 Ca 0.07 -0.07 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2fbw h LEU 8 Cb 0.56 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.21 2fbw h LEU 8 CO 0.04 0.28 0.18 -0.74 0.09 0.00 0.00 178.44 178.29 2fbw h HIS 9 N 0.29 0.34 -0.65 1.13 2.76 -0.92 0.74 115.15 118.84 2fbw h HIS 9 Ca 0.09 0.01 0.08 0.00 -2.20 0.00 0.00 60.37 58.35 2fbw h HIS 9 Cb 0.05 -0.11 -0.07 0.00 1.55 0.00 0.00 27.41 28.82 2fbw h HIS 9 CO -0.04 0.21 0.30 2.35 -1.30 0.00 0.00 177.93 179.46 2fbw h TRP 10 N 0.37 0.54 -0.40 5.26 7.01 -1.13 -0.69 115.95 126.91 2fbw h TRP 10 Ca 0.10 0.03 -0.03 0.00 2.11 0.00 0.00 58.89 61.10 2fbw h TRP 10 Cb -0.04 -0.15 -0.02 0.00 -2.10 0.00 0.00 29.16 26.86 2fbw h TRP 10 CO -0.06 0.20 0.13 1.15 -2.79 0.00 0.00 178.44 177.06 2fbw h THR 11 N 0.53 1.21 -0.50 2.65 2.02 -0.21 -2.84 112.91 115.77 2fbw h THR 11 Ca 0.32 -0.69 0.06 0.00 0.77 0.00 0.00 66.41 66.87 2fbw h THR 11 Cb 0.33 0.92 -0.05 0.00 -1.74 0.00 0.00 68.15 67.60 2fbw h THR 11 CO -0.26 0.24 0.21 0.28 0.37 0.00 0.00 175.52 176.37 2fbw h SER 12 N 0.50 0.27 -1.00 4.18 0.02 -0.19 -1.59 113.55 115.73 2fbw h SER 12 Ca 0.13 0.05 0.08 0.00 -0.84 0.00 0.00 61.79 61.20 2fbw h SER 12 Cb 0.25 0.01 -0.07 0.00 0.14 0.00 0.00 62.40 62.72 2fbw h SER 12 CO -0.01 0.18 0.65 -0.33 -1.14 0.00 0.00 176.83 176.19 2fbw h GLU 13 N 0.42 1.10 -0.16 3.45 5.08 -1.00 0.14 114.58 123.60 2fbw h GLU 13 Ca 0.23 -0.07 -0.09 0.00 -1.00 0.00 0.00 59.36 58.43 2fbw h GLU 13 Cb 0.20 -0.25 -0.00 0.00 0.50 0.00 0.00 28.75 29.20 2fbw h GLU 13 CO -0.20 0.73 -0.26 0.00 -1.00 0.00 0.00 179.01 178.27 2fbw h ARG 14 N 1.14 0.47 -0.07 2.33 -0.00 -1.21 -1.81 114.38 115.22 2fbw h ARG 14 Ca 0.45 -0.28 0.03 0.00 -0.50 0.00 0.00 59.98 59.68 2fbw h ARG 14 Cb 0.24 0.03 -0.04 0.00 0.00 0.00 0.00 29.97 30.20 2fbw h ARG 14 CO -0.19 0.88 -0.17 0.00 0.00 0.00 0.00 179.97 180.49 2fbw h ALA 15 N 0.58 -0.14 -0.89 0.04 0.00 -0.66 0.78 119.26 118.98 2fbw h ALA 15 Ca 0.01 0.03 0.04 0.00 0.00 0.00 0.00 54.91 54.99 2fbw h ALA 15 Cb 0.84 0.32 -0.05 0.00 0.00 0.00 0.00 17.79 18.90 2fbw h ALA 15 CO 0.06 -0.64 0.58 0.28 0.00 0.00 0.00 179.25 179.53 2fbw h VAL 16 N -0.24 1.14 -0.75 0.00 2.07 -1.01 -0.55 116.25 116.90 2fbw h VAL 16 Ca 0.08 -0.38 -0.01 0.00 0.82 0.00 0.00 66.70 67.21 2fbw h VAL 16 Cb 0.35 -0.05 -0.04 0.00 -1.52 0.00 0.00 31.29 30.03 2fbw h VAL 16 CO -0.21 0.20 0.43 0.28 0.02 0.00 0.00 177.57 178.29 2fbw h SER 17 N 1.10 0.93 -0.05 0.57 0.02 -0.29 -1.73 113.55 114.09 2fbw h SER 17 Ca 0.36 -0.08 -0.00 0.00 -0.84 0.00 0.00 61.79 61.22 2fbw h SER 17 Cb 0.04 -0.24 -0.00 0.00 0.14 0.00 0.00 62.40 62.34 2fbw h SER 17 CO -0.11 0.74 0.03 0.00 -1.14 0.00 0.00 176.83 176.35 2fbw h ALA 18 N 1.22 0.06 -0.15 3.77 0.00 0.23 -2.45 119.26 121.95 2fbw h ALA 18 Ca 0.27 -0.04 0.03 0.00 0.00 0.00 0.00 54.91 55.17 2fbw h ALA 18 Cb 0.01 -0.02 -0.07 0.00 0.00 0.00 0.00 17.79 17.71 2fbw h ALA 18 CO -0.05 -0.41 -0.53 1.25 0.00 0.00 0.00 179.25 179.52 2fbw h LEU 19 N -0.00 -1.68 -0.83 0.00 5.85 -0.81 0.13 115.31 117.97 2fbw h LEU 19 Ca 0.02 0.20 0.21 0.00 0.84 0.00 0.00 57.88 59.15 2fbw h LEU 19 Cb 0.07 0.66 -0.14 0.00 0.37 0.00 0.00 40.66 41.62 2fbw h LEU 19 CO -0.00 -0.48 0.15 -0.07 -0.34 0.00 0.00 178.44 177.70 2fbw h LEU 20 N -0.57 -0.13 -0.28 2.25 3.38 -1.23 0.30 115.31 119.03 2fbw h LEU 20 Ca 0.04 0.19 0.05 0.00 0.09 0.00 0.00 57.88 58.26 2fbw h LEU 20 Cb 0.67 0.29 -0.05 0.00 0.09 0.00 0.00 40.66 41.67 2fbw h LEU 20 CO -0.44 -0.16 -0.04 0.25 0.09 0.00 0.00 178.44 178.14 2fbw h LEU 21 N 0.17 -0.21 -1.45 1.67 5.85 -0.52 -1.31 115.31 119.52 2fbw h LEU 21 Ca 0.49 0.08 -0.06 0.00 0.84 0.00 0.00 57.88 59.23 2fbw h LEU 21 Cb 0.95 0.15 -0.01 0.00 0.37 0.00 0.00 40.66 42.12 2fbw h LEU 21 CO -0.65 -0.07 -0.28 1.23 -0.34 0.00 0.00 178.44 178.33 2fbw h GLY 22 N 0.03 0.00 2.00 3.75 0.00 0.67 -2.74 103.07 106.78 2fbw h GLY 22 Ca 0.13 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 47.44 2fbw h GLY 22 CO -0.27 0.00 -0.14 1.41 0.00 0.00 0.00 176.54 177.55 2fbw h LEU 23 N 0.00 0.00 0.88 3.11 3.38 0.25 -2.66 115.31 120.27 2fbw h LEU 23 Ca -0.00 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.92 2fbw h LEU 23 Cb 0.49 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.25 2fbw h LEU 23 CO 0.04 0.14 -0.42 -0.07 0.09 0.00 0.00 178.44 178.21 2fbw h LEU 24 N 0.00 -1.00 -0.94 1.67 3.38 -1.13 0.92 115.31 118.21 2fbw h LEU 24 Ca -0.00 0.03 0.02 0.00 0.09 0.00 0.00 57.88 58.02 2fbw h LEU 24 Cb 0.57 0.26 -0.05 0.00 0.09 0.00 0.00 40.66 41.53 2fbw h LEU 24 CO 0.02 -0.70 0.62 -0.65 0.09 0.00 0.00 178.44 177.82 2fbw h PRO 25 N -1.20 1.21 -0.89 1.13 0.11 -1.70 -2.21 132.00 128.46 2fbw h PRO 25 Ca -0.12 -0.07 0.03 0.00 0.11 0.00 0.00 66.00 65.95 2fbw h PRO 25 Cb 0.91 -0.27 -0.05 0.00 0.11 0.00 0.00 31.00 31.69 2fbw h PRO 25 CO 0.20 0.80 0.57 0.00 -0.21 0.00 0.00 178.00 179.36 2fbw h ALA 26 N 1.36 1.17 -0.17 -0.75 0.00 -1.32 0.56 119.26 120.11 2fbw h ALA 26 Ca 0.35 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 55.19 2fbw h ALA 26 Cb -0.10 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.37 2fbw h ALA 26 CO -0.09 0.42 -0.05 0.00 0.00 0.00 0.00 179.25 179.54 2fbw h ALA 27 N 1.37 1.61 0.22 0.00 0.00 -0.18 0.63 119.26 122.90 2fbw h ALA 27 Ca 0.35 -0.15 -0.32 0.00 0.00 0.00 0.00 54.91 54.79 2fbw h ALA 27 Cb 0.00 -0.08 0.03 0.00 0.00 0.00 0.00 17.79 17.74 2fbw h ALA 27 CO -0.12 0.29 -1.42 -0.92 0.00 0.00 0.00 179.25 177.08 2fbw h TYR 28 N 0.24 0.90 0.00 0.00 3.20 -1.06 -3.22 116.97 117.03 2fbw h TYR 28 Ca 0.06 -0.64 -0.20 0.00 3.14 0.00 0.00 58.73 61.08 2fbw h TYR 28 Cb 0.25 -0.04 -0.03 0.00 1.54 0.00 0.00 36.73 38.44 2fbw h TYR 28 CO 0.00 1.50 -1.33 -0.07 -1.64 0.00 0.00 178.16 176.62 2fbw h LEU 29 N 0.15 0.00 -5.97 2.82 3.38 -0.55 -3.41 115.31 111.72 2fbw h LEU 29 Ca -0.23 0.00 -0.50 0.00 0.09 0.00 0.00 57.88 57.25 2fbw h LEU 29 Cb 2.11 0.00 -0.40 0.00 0.09 0.00 0.00 40.66 42.46 2fbw h LEU 29 CO 0.26 0.76 -1.16 -1.22 0.09 0.00 0.00 178.44 177.17 2fbw n TYR 30 N -3.05 0.27 -0.75 1.13 4.02 0.22 -5.07 117.16 113.93 2fbw n TYR 30 Ca -0.09 -3.79 -0.33 0.00 -0.01 0.00 0.00 57.90 53.68 2fbw n TYR 30 Cb 0.91 -0.41 0.14 0.00 -0.02 0.00 0.00 39.34 39.95 2fbw n TYR 30 CO 0.00 0.00 0.00 -2.30 -1.01 0.00 0.00 176.86 173.55 2fbw n PRO 31 N 0.42 -0.93 0.00 -0.72 -0.02 -1.21 -4.62 135.00 127.92 2fbw n PRO 31 Ca 0.25 -0.25 0.00 0.00 -2.02 0.00 0.00 63.50 61.48 2fbw n PRO 31 Cb 0.63 -1.72 0.00 0.00 -0.02 0.00 0.00 33.50 32.39 2fbw n PRO 31 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2fbw n GLY 32 N 1.91 2.36 0.33 -1.23 0.00 -1.26 -4.88 105.19 102.42 2fbw n GLY 32 Ca 0.03 -2.05 -0.01 0.00 0.00 0.00 0.00 46.02 43.99 2fbw n GLY 32 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2fbw h PRO 33 N 0.00 -0.06 0.03 1.61 0.13 -1.97 0.27 132.00 132.01 2fbw h PRO 33 Ca 0.00 0.00 0.02 0.00 -0.87 0.00 0.00 66.00 65.15 2fbw h PRO 33 Cb 0.00 0.01 -0.05 0.00 0.13 0.00 0.00 31.00 31.09 2fbw h PRO 33 CO 0.00 -0.04 -0.52 0.00 -0.23 0.00 0.00 178.00 177.22 2fbw h ALA 34 N 1.44 -0.95 -0.56 -0.56 0.00 -1.92 0.86 119.26 117.57 2fbw h ALA 34 Ca 0.33 -0.09 -0.03 0.00 0.00 0.00 0.00 54.91 55.12 2fbw h ALA 34 Cb 0.58 0.93 -0.03 0.00 0.00 0.00 0.00 17.79 19.27 2fbw h ALA 34 CO -0.81 -1.10 0.25 0.28 0.00 0.00 0.00 179.25 177.87 2fbw h VAL 35 N -0.67 1.21 -0.89 0.00 2.07 -1.72 -1.71 116.25 114.54 2fbw h VAL 35 Ca 0.01 -0.63 0.10 0.00 0.82 0.00 0.00 66.70 67.00 2fbw h VAL 35 Cb 0.70 0.59 -0.08 0.00 -1.52 0.00 0.00 31.29 30.99 2fbw h VAL 35 CO -0.33 0.25 0.53 0.44 0.02 0.00 0.00 177.57 178.48 2fbw h ASP 36 N 0.76 0.78 0.81 0.57 5.19 0.21 0.32 116.42 125.07 2fbw h ASP 36 Ca 0.19 0.04 -0.23 0.00 -0.62 0.00 0.00 57.03 56.41 2fbw h ASP 36 Cb 0.16 -0.11 -0.01 0.00 0.18 0.00 0.00 39.33 39.54 2fbw h ASP 36 CO -0.02 0.44 -1.08 1.88 -3.12 0.00 0.00 179.24 177.34 2fbw h TYR 37 N 0.89 0.22 -0.28 4.55 0.05 -0.75 -2.62 116.97 119.03 2fbw h TYR 37 Ca 0.43 -0.16 -0.03 0.00 0.05 0.00 0.00 58.73 59.02 2fbw h TYR 37 Cb 0.38 -0.01 -0.01 0.00 1.01 0.00 0.00 36.73 38.09 2fbw h TYR 37 CO -0.04 1.11 0.07 0.77 -1.05 0.00 0.00 178.16 179.02 2fbw h SER 38 N 0.04 0.42 -0.72 3.88 0.02 -0.66 -1.19 113.55 115.34 2fbw h SER 38 Ca -0.06 -0.23 0.02 0.00 -0.84 0.00 0.00 61.79 60.67 2fbw h SER 38 Cb 1.82 -0.11 -0.04 0.00 0.14 0.00 0.00 62.40 64.21 2fbw h SER 38 CO 0.16 0.54 0.46 -0.07 -1.14 0.00 0.00 176.83 176.78 2fbw h LEU 39 N 0.28 0.78 -0.82 5.07 3.38 -1.02 0.19 115.31 123.17 2fbw h LEU 39 Ca 0.09 -0.01 0.06 0.00 0.09 0.00 0.00 57.88 58.11 2fbw h LEU 39 Cb 0.29 -0.18 -0.06 0.00 0.09 0.00 0.00 40.66 40.79 2fbw h LEU 39 CO 0.00 0.56 0.50 0.00 0.09 0.00 0.00 178.44 179.59 2fbw h ALA 40 N 1.28 1.13 0.00 1.53 0.00 -1.08 0.28 119.26 122.40 2fbw h ALA 40 Ca 0.27 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 55.18 2fbw h ALA 40 Cb -0.05 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.53 2fbw h ALA 40 CO -0.08 0.24 -0.00 0.00 0.00 0.00 0.00 179.25 179.40 2fbw h ALA 41 N 1.39 -0.00 -0.31 0.00 0.00 -0.48 -2.80 119.26 117.05 2fbw h ALA 41 Ca 0.36 -0.32 -0.02 0.00 0.00 0.00 0.00 54.91 54.93 2fbw h ALA 41 Cb 0.17 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 2fbw h ALA 41 CO -0.17 -0.18 0.12 0.00 0.00 0.00 0.00 179.25 179.02 2fbw h ALA 42 N 0.35 0.41 -0.71 0.00 0.00 -0.51 -0.79 119.26 118.01 2fbw h ALA 42 Ca -0.00 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.78 2fbw h ALA 42 Cb 0.64 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 18.27 2fbw h ALA 42 CO 0.00 0.02 0.46 -0.07 0.00 0.00 0.00 179.25 179.66 2fbw h LEU 43 N 0.36 0.83 -0.05 0.00 3.38 -0.57 0.38 115.31 119.64 2fbw h LEU 43 Ca 0.10 -0.03 -0.03 0.00 0.09 0.00 0.00 57.88 58.01 2fbw h LEU 43 Cb 0.20 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 40.74 2fbw h LEU 43 CO -0.01 0.61 -0.10 0.74 0.09 0.00 0.00 178.44 179.78 2fbw h THR 44 N 0.97 1.43 0.16 0.22 2.02 -1.21 -2.44 112.91 114.06 2fbw h THR 44 Ca 0.26 -1.42 -0.01 0.00 0.77 0.00 0.00 66.41 66.01 2fbw h THR 44 Cb -0.09 2.26 0.00 0.00 -1.74 0.00 0.00 68.15 68.58 2fbw h THR 44 CO -0.05 0.39 -0.08 0.25 0.37 0.00 0.00 175.52 176.40 2fbw h LEU 45 N -0.37 -0.18 -0.69 2.58 5.85 -0.95 0.12 115.31 121.67 2fbw h LEU 45 Ca 0.00 -0.15 0.07 0.00 0.84 0.00 0.00 57.88 58.64 2fbw h LEU 45 Cb 0.68 0.05 -0.06 0.00 0.37 0.00 0.00 40.66 41.69 2fbw h LEU 45 CO 0.02 0.05 0.37 -0.74 -0.34 0.00 0.00 178.44 177.80 2fbw h HIS 46 N -0.41 0.67 -0.55 1.25 2.76 -1.05 -1.62 115.15 116.21 2fbw h HIS 46 Ca -0.02 0.03 -0.11 0.00 -2.20 0.00 0.00 60.37 58.07 2fbw h HIS 46 Cb 0.32 -0.20 -0.02 0.00 1.55 0.00 0.00 27.41 29.06 2fbw h HIS 46 CO -0.01 0.29 -0.08 0.78 -1.30 0.00 0.00 177.93 177.62 2fbw h GLY 47 N 0.66 1.11 0.95 5.26 0.00 -1.26 -1.74 103.07 108.04 2fbw h GLY 47 Ca 0.32 -0.87 -0.00 0.00 0.00 0.00 0.00 47.33 46.78 2fbw h GLY 47 CO -0.21 0.80 0.02 0.84 0.00 0.00 0.00 176.54 177.98 2fbw h HIS 48 N 0.90 0.03 -0.57 5.60 6.17 -0.13 -1.50 115.15 125.65 2fbw h HIS 48 Ca 0.15 -0.00 -0.06 0.00 0.71 0.00 0.00 60.37 61.17 2fbw h HIS 48 Cb 0.64 -0.01 -0.03 0.00 2.52 0.00 0.00 27.41 30.54 2fbw h HIS 48 CO 0.05 0.08 0.13 -1.49 0.71 0.00 0.00 177.93 177.41 2fbw h TRP 49 N -0.02 0.92 -0.14 5.26 6.55 -1.31 -0.71 115.95 126.51 2fbw h TRP 49 Ca 0.01 -0.09 -0.01 0.00 0.95 0.00 0.00 58.89 59.74 2fbw h TRP 49 Cb 0.05 -0.27 -0.01 0.00 -0.86 0.00 0.00 29.16 28.08 2fbw h TRP 49 CO -0.06 0.77 0.04 0.78 -1.05 0.00 0.00 178.44 178.91 2fbw h GLY 50 N 1.00 0.23 2.00 1.49 0.00 -1.04 0.12 103.07 106.87 2fbw h GLY 50 Ca 0.18 -0.15 -0.07 0.00 0.00 0.00 0.00 47.33 47.30 2fbw h GLY 50 CO 0.00 0.14 -0.32 1.41 0.00 0.00 0.00 176.54 177.77 2fbw h LEU 51 N 0.02 0.00 -0.74 3.11 3.38 -1.22 -1.69 115.31 118.18 2fbw h LEU 51 Ca 0.04 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.99 2fbw h LEU 51 Cb 0.25 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.97 2fbw h LEU 51 CO 0.00 0.32 0.36 1.23 0.09 0.00 0.00 178.44 180.44 2fbw h GLY 52 N 1.21 1.13 1.66 0.83 0.00 -0.24 -0.23 103.07 107.43 2fbw h GLY 52 Ca -0.00 -0.56 -0.11 0.00 0.00 0.00 0.00 47.33 46.67 2fbw h GLY 52 CO 0.04 0.53 -0.34 1.46 0.00 0.00 0.00 176.54 178.23 2fbw h GLN 53 N 1.03 0.39 -0.43 4.80 1.08 -0.19 -1.77 115.11 120.03 2fbw h GLN 53 Ca 0.25 -0.17 -0.10 0.00 -1.45 0.00 0.00 58.65 57.18 2fbw h GLN 53 Cb 0.10 -0.01 -0.02 0.00 -0.05 0.00 0.00 27.48 27.51 2fbw h GLN 53 CO -0.03 0.69 -0.15 0.28 -0.95 0.00 0.00 178.83 178.66 2fbw h VAL 54 N 0.33 1.26 -0.24 -0.54 2.07 -0.51 -2.42 116.25 116.20 2fbw h VAL 54 Ca 0.04 -1.24 -0.05 0.00 0.82 0.00 0.00 66.70 66.27 2fbw h VAL 54 Cb 0.77 1.10 -0.01 0.00 -1.52 0.00 0.00 31.29 31.63 2fbw h VAL 54 CO 0.06 0.42 -0.04 0.40 0.02 0.00 0.00 177.57 178.43 2fbw h ILE 55 N 0.72 1.28 -0.52 4.57 2.04 -0.79 -2.41 117.51 122.39 2fbw h ILE 55 Ca 0.11 -1.01 0.01 0.00 1.00 0.00 0.00 64.86 64.97 2fbw h ILE 55 Cb 0.65 1.46 -0.03 0.00 -0.74 0.00 0.00 36.82 38.16 2fbw h ILE 55 CO 0.05 0.32 0.35 0.74 0.00 0.00 0.00 178.15 179.60 2fbw h THR 56 N 0.20 1.12 -0.10 -0.27 2.02 -1.20 0.04 112.91 114.73 2fbw h THR 56 Ca 0.06 -0.24 -0.08 0.00 0.77 0.00 0.00 66.41 66.93 2fbw h THR 56 Cb 0.49 0.37 0.00 0.00 -1.74 0.00 0.00 68.15 67.27 2fbw h THR 56 CO 0.02 0.13 -0.23 0.44 0.37 0.00 0.00 175.52 176.25 2fbw h ASP 57 N 0.69 0.38 0.00 4.18 3.32 -1.31 -3.40 116.42 120.28 2fbw h ASP 57 Ca 0.19 -0.58 0.00 0.00 0.02 0.00 0.00 57.03 56.67 2fbw h ASP 57 Cb -0.06 -0.11 0.00 0.00 0.22 0.00 0.00 39.33 39.38 2fbw h ASP 57 CO -0.04 0.88 -1.79 -1.22 -1.72 0.00 0.00 179.24 175.35 2fbw n TYR 58 N -4.49 0.00 -3.61 4.55 4.01 -0.92 -4.94 117.16 111.76 2fbw n TYR 58 Ca -0.07 0.00 -0.36 0.00 -0.16 0.00 0.00 57.90 57.31 2fbw n TYR 58 Cb 0.43 -0.40 -0.08 0.00 -0.31 0.00 0.00 39.34 38.98 2fbw n TYR 58 CO 0.00 0.00 0.00 0.08 -0.46 0.00 0.00 176.86 176.48 2fbw s VAL 59 N -3.27 5.34 0.13 -0.72 1.01 -0.01 -5.08 120.40 117.80 2fbw s VAL 59 Ca -0.06 0.37 0.04 0.00 0.00 0.00 0.00 61.98 62.33 2fbw s VAL 59 Cb 0.12 -3.56 -0.04 0.00 0.00 0.00 0.00 36.38 32.90 2fbw s VAL 59 CO 0.78 0.38 -0.09 -1.00 0.00 0.00 0.00 175.10 175.17 2fbw s HIS 60 N 0.63 1.16 0.00 5.22 3.76 -1.26 -4.76 115.29 120.05 2fbw s HIS 60 Ca 0.12 -0.77 0.00 0.00 -0.15 0.00 0.00 55.06 54.26 2fbw s HIS 60 Cb -0.13 -0.61 0.00 0.00 1.11 0.00 0.00 32.58 32.95 2fbw s HIS 60 CO 0.02 0.03 0.00 0.41 -0.85 0.00 0.00 174.74 174.35 2fbw n GLY 61 N -0.05 1.75 0.30 -2.22 0.00 -1.26 -4.60 105.19 99.11 2fbw n GLY 61 Ca -0.11 -1.26 0.09 0.00 0.00 0.00 0.00 46.02 44.73 2fbw n GLY 61 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2fbw h ASP 62 N 0.00 0.36 0.15 1.61 3.32 -1.99 -1.20 116.42 118.67 2fbw h ASP 62 Ca 0.00 0.13 -0.01 0.00 0.02 0.00 0.00 57.03 57.17 2fbw h ASP 62 Cb 0.00 0.09 0.00 0.00 0.22 0.00 0.00 39.33 39.64 2fbw h ASP 62 CO 0.00 0.08 -0.07 0.74 -1.72 0.00 0.00 179.24 178.27 2fbw h THR 63 N 0.47 0.91 -1.00 0.35 2.02 -2.00 -2.38 112.91 111.28 2fbw h THR 63 Ca 0.49 -1.11 0.21 0.00 0.77 0.00 0.00 66.41 66.77 2fbw h THR 63 Cb 0.83 1.51 -0.11 0.00 -1.74 0.00 0.00 68.15 68.64 2fbw h THR 63 CO -0.45 0.23 0.61 -0.65 0.37 0.00 0.00 175.52 175.62 2fbw h PRO 64 N -0.82 0.68 -0.35 6.66 0.11 -1.76 0.29 132.00 136.81 2fbw h PRO 64 Ca -0.02 -0.04 -0.06 0.00 0.11 0.00 0.00 66.00 65.99 2fbw h PRO 64 Cb 0.53 -0.15 -0.01 0.00 0.11 0.00 0.00 31.00 31.48 2fbw h PRO 64 CO 0.03 0.45 -0.01 0.82 -0.21 0.00 0.00 178.00 179.09 2fbw h ILE 65 N 0.70 1.26 -0.53 4.15 2.04 -1.23 -0.22 117.51 123.68 2fbw h ILE 65 Ca 0.59 -0.99 -0.04 0.00 1.00 0.00 0.00 64.86 65.42 2fbw h ILE 65 Cb 1.01 1.21 -0.02 0.00 -0.74 0.00 0.00 36.82 38.28 2fbw h ILE 65 CO -0.39 0.33 0.16 0.11 0.00 0.00 0.00 178.15 178.35 2fbw h LYS 66 N 0.43 0.83 -0.05 2.37 1.57 -0.75 -0.83 116.57 120.14 2fbw h LYS 66 Ca 0.10 -0.18 0.00 0.00 -1.87 0.00 0.00 60.65 58.70 2fbw h LYS 66 Cb 0.46 -0.12 -0.00 0.00 0.08 0.00 0.00 32.23 32.65 2fbw h LYS 66 CO 0.02 0.77 0.02 0.28 -0.57 0.00 0.00 179.45 179.97 2fbw h VAL 67 N 0.73 0.99 -0.94 0.50 2.07 -0.85 -0.71 116.25 118.04 2fbw h VAL 67 Ca 0.17 -0.02 0.02 0.00 0.82 0.00 0.00 66.70 67.70 2fbw h VAL 67 Cb 0.29 0.94 -0.05 0.00 -1.52 0.00 0.00 31.29 30.95 2fbw h VAL 67 CO -0.00 0.01 0.62 0.00 0.02 0.00 0.00 177.57 178.21 2fbw h ALA 68 N 1.03 1.22 0.00 1.67 0.00 -0.84 -1.72 119.26 120.61 2fbw h ALA 68 Ca 0.02 -0.05 -0.11 0.00 0.00 0.00 0.00 54.91 54.77 2fbw h ALA 68 Cb 0.01 -0.36 -0.02 0.00 0.00 0.00 0.00 17.79 17.42 2fbw h ALA 68 CO -0.02 0.54 -0.51 -0.91 0.00 0.00 0.00 179.25 178.36 2fbw h ASN 69 N 1.23 0.00 -0.17 0.00 4.21 -0.87 -1.92 115.58 118.06 2fbw h ASN 69 Ca 0.36 0.00 -0.07 0.00 1.21 0.00 0.00 56.30 57.80 2fbw h ASN 69 Cb -0.08 0.00 -0.00 0.00 -1.12 0.00 0.00 38.32 37.12 2fbw h ASN 69 CO -0.10 0.51 -0.15 0.74 -1.29 0.00 0.00 177.43 177.14 2fbw h THR 70 N 0.00 1.33 -0.13 2.81 2.02 -0.51 -2.49 112.91 115.94 2fbw h THR 70 Ca -0.01 -1.29 0.03 0.00 0.77 0.00 0.00 66.41 65.91 2fbw h THR 70 Cb 1.06 1.80 -0.03 0.00 -1.74 0.00 0.00 68.15 69.24 2fbw h THR 70 CO 0.07 0.39 -0.06 1.23 0.37 0.00 0.00 175.52 177.52 2fbw h GLY 71 N 0.06 0.06 0.28 2.16 0.00 -1.26 -2.06 103.07 102.31 2fbw h GLY 71 Ca 0.03 0.07 0.07 0.00 0.00 0.00 0.00 47.33 47.50 2fbw h GLY 71 CO 0.04 -0.07 -0.07 -2.00 0.00 0.00 0.00 176.54 174.43 2fbw h LEU 72 N -0.04 -0.31 -1.46 3.11 5.85 -1.33 -0.30 115.31 120.84 2fbw h LEU 72 Ca 0.07 0.11 0.12 0.00 0.84 0.00 0.00 57.88 59.02 2fbw h LEU 72 Cb 0.14 0.22 -0.05 0.00 0.37 0.00 0.00 40.66 41.34 2fbw h LEU 72 CO -0.16 -0.11 0.51 0.22 -0.34 0.00 0.00 178.44 178.56 2fbw h TYR 73 N 0.02 0.64 -0.33 1.25 3.20 -1.03 -0.16 116.97 120.56 2fbw h TYR 73 Ca 0.18 0.02 -0.12 0.00 3.14 0.00 0.00 58.73 61.95 2fbw h TYR 73 Cb 0.28 -0.20 -0.01 0.00 1.54 0.00 0.00 36.73 38.34 2fbw h TYR 73 CO -0.32 0.27 -0.26 0.28 -1.64 0.00 0.00 178.16 176.49 2fbw h VAL 74 N 0.57 1.29 -0.40 1.81 2.07 -0.41 -2.43 116.25 118.75 2fbw h VAL 74 Ca 0.37 -1.42 -0.05 0.00 0.82 0.00 0.00 66.70 66.42 2fbw h VAL 74 Cb 0.64 1.46 -0.02 0.00 -1.52 0.00 0.00 31.29 31.86 2fbw h VAL 74 CO -0.14 0.46 0.05 0.25 0.02 0.00 0.00 177.57 178.22 2fbw h LEU 75 N 0.54 0.65 -0.73 2.57 5.85 0.07 -2.35 115.31 121.92 2fbw h LEU 75 Ca 0.06 -0.27 -0.00 0.00 0.84 0.00 0.00 57.88 58.51 2fbw h LEU 75 Cb 0.83 -0.17 -0.04 0.00 0.37 0.00 0.00 40.66 41.65 2fbw h LEU 75 CO 0.07 0.76 0.44 0.28 -0.34 0.00 0.00 178.44 179.65 2fbw h SER 76 N 0.52 0.88 0.50 1.25 0.02 -1.06 -0.03 113.55 115.62 2fbw h SER 76 Ca 0.12 -0.07 -0.02 0.00 -0.84 0.00 0.00 61.79 60.98 2fbw h SER 76 Cb 0.40 -0.22 0.00 0.00 0.14 0.00 0.00 62.40 62.72 2fbw h SER 76 CO 0.01 0.69 -0.24 0.00 -1.14 0.00 0.00 176.83 176.15 2fbw h ALA 77 N 1.23 -0.67 -0.80 3.77 0.00 -1.35 0.40 119.26 121.84 2fbw h ALA 77 Ca 0.26 -0.16 0.10 0.00 0.00 0.00 0.00 54.91 55.11 2fbw h ALA 77 Cb -0.03 0.26 -0.07 0.00 0.00 0.00 0.00 17.79 17.94 2fbw h ALA 77 CO -0.05 -0.84 0.44 0.82 0.00 0.00 0.00 179.25 179.62 2fbw h ILE 78 N -0.73 0.87 -0.04 0.00 2.04 -1.30 -0.34 117.51 118.02 2fbw h ILE 78 Ca -0.07 -0.25 -0.00 0.00 1.00 0.00 0.00 64.86 65.54 2fbw h ILE 78 Cb 0.54 0.08 -0.00 0.00 -0.74 0.00 0.00 36.82 36.70 2fbw h ILE 78 CO 0.11 0.13 0.02 0.74 0.00 0.00 0.00 178.15 179.15 2fbw h THR 79 N 0.73 1.14 -0.80 -0.27 2.02 -0.74 0.37 112.91 115.36 2fbw h THR 79 Ca 0.39 -0.42 -0.02 0.00 0.77 0.00 0.00 66.41 67.13 2fbw h THR 79 Cb 0.40 1.35 -0.04 0.00 -1.74 0.00 0.00 68.15 68.12 2fbw h THR 79 CO -0.26 0.12 0.40 0.15 0.37 0.00 0.00 175.52 176.29 2fbw h PHE 80 N -0.10 1.12 -0.14 3.16 3.57 -0.54 -2.12 116.94 121.89 2fbw h PHE 80 Ca 0.01 -0.04 -0.01 0.00 3.53 0.00 0.00 57.97 61.47 2fbw h PHE 80 Cb 0.17 -0.35 -0.01 0.00 2.79 0.00 0.00 35.95 38.55 2fbw h PHE 80 CO -0.02 0.80 0.07 1.15 -2.23 0.00 0.00 178.31 178.08 2fbw h THR 81 N 1.12 1.12 -0.68 4.41 2.02 -0.75 -2.02 112.91 118.14 2fbw h THR 81 Ca 0.28 -0.35 0.03 0.00 0.77 0.00 0.00 66.41 67.14 2fbw h THR 81 Cb 0.08 1.10 -0.04 0.00 -1.74 0.00 0.00 68.15 67.55 2fbw h THR 81 CO -0.04 0.11 0.42 1.23 0.37 0.00 0.00 175.52 177.61 2fbw h GLY 82 N 0.11 0.98 1.02 2.16 0.00 -0.71 -0.27 103.07 106.36 2fbw h GLY 82 Ca 0.05 -0.31 -0.06 0.00 0.00 0.00 0.00 47.33 47.01 2fbw h GLY 82 CO -0.01 0.26 0.17 1.41 0.00 0.00 0.00 176.54 178.37 2fbw h LEU 83 N 0.82 0.93 -0.48 3.11 3.38 -1.25 0.78 115.31 122.59 2fbw h LEU 83 Ca 0.28 -0.23 -0.08 0.00 0.09 0.00 0.00 57.88 57.94 2fbw h LEU 83 Cb 0.03 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.52 2fbw h LEU 83 CO -0.11 0.91 -0.02 0.00 0.09 0.00 0.00 178.44 179.31 2fbw h TYR 85 N 0.72 0.06 -0.71 0.00 3.20 -0.76 0.94 116.97 120.43 2fbw h TYR 85 Ca 0.13 0.01 -0.03 0.00 3.14 0.00 0.00 58.73 61.98 2fbw h TYR 85 Cb 0.54 0.00 -0.03 0.00 1.54 0.00 0.00 36.73 38.78 2fbw h TYR 85 CO 0.04 0.02 0.31 0.35 -1.64 0.00 0.00 178.16 177.23 2fbw h PHE 86 N 0.12 1.04 -0.02 -3.82 3.57 -0.67 0.25 116.94 117.42 2fbw h PHE 86 Ca 0.10 -0.06 -0.09 0.00 3.53 0.00 0.00 57.97 61.45 2fbw h PHE 86 Cb 0.10 -0.32 -0.01 0.00 2.79 0.00 0.00 35.95 38.50 2fbw h PHE 86 CO -0.15 0.78 -0.42 -0.91 -2.23 0.00 0.00 178.31 175.38 2fbw h ASN 87 N 1.02 0.04 0.00 0.41 2.35 -0.42 -1.67 115.58 117.31 2fbw h ASN 87 Ca 0.24 -0.02 -0.02 0.00 -0.55 0.00 0.00 56.30 55.96 2fbw h ASN 87 Cb 0.16 -0.01 -0.00 0.00 0.05 0.00 0.00 38.32 38.52 2fbw h ASN 87 CO -0.02 0.46 -0.22 0.22 -1.65 0.00 0.00 177.43 176.21 2fbw h TYR 88 N 0.03 0.00 -0.01 1.19 3.20 -0.08 -3.41 116.97 117.89 2fbw h TYR 88 Ca -0.00 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.87 2fbw h TYR 88 Cb 0.76 0.00 0.00 0.00 1.54 0.00 0.00 36.73 39.03 2fbw h TYR 88 CO 0.00 0.26 -0.23 0.66 -1.64 0.00 0.00 178.16 177.22 2fbw n TYR 89 N -4.69 0.00 -3.71 -3.82 4.01 0.81 -4.96 117.16 104.81 2fbw n TYR 89 Ca -0.06 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.68 2fbw n TYR 89 Cb 0.19 -0.10 0.00 0.00 -0.31 0.00 0.00 39.34 39.12 2fbw n TYR 89 CO 0.00 0.00 0.00 -3.47 -0.46 0.00 0.00 176.86 172.93 2fbw n ASP 90 N -0.50 1.03 0.31 7.72 -0.08 -0.63 -5.03 116.55 119.37 2fbw n ASP 90 Ca 0.13 -0.71 0.19 0.00 -1.51 0.00 0.00 54.79 52.89 2fbw n ASP 90 Cb 0.36 0.00 0.97 0.00 2.34 0.00 0.00 41.12 44.79 2fbw n ASP 90 CO 0.00 0.00 0.00 -0.37 0.12 0.00 0.00 177.20 176.95 2fbw h VAL 91 N 0.71 0.17 0.00 5.18 -1.51 -1.89 -3.43 116.25 115.48 2fbw h VAL 91 Ca 0.00 -0.23 0.00 0.00 -1.23 0.00 0.00 66.70 65.24 2fbw h VAL 91 Cb 0.00 1.19 0.00 0.00 -2.13 0.00 0.00 31.29 30.35 2fbw h VAL 91 CO 0.00 0.03 0.00 0.61 -1.23 0.00 0.00 177.57 176.98 2fbw n GLY 92 N -0.77 0.94 0.30 5.19 0.00 -1.20 -4.44 105.19 105.20 2fbw n GLY 92 Ca -0.02 -1.69 -0.10 0.00 0.00 0.00 0.00 46.02 44.22 2fbw n GLY 92 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 2fbw h ILE 93 N 0.00 0.36 -0.25 -0.61 2.04 -1.88 0.80 117.51 117.97 2fbw h ILE 93 Ca 0.00 0.00 0.05 0.00 1.00 0.00 0.00 64.86 65.91 2fbw h ILE 93 Cb 0.00 0.36 -0.05 0.00 -0.74 0.00 0.00 36.82 36.40 2fbw h ILE 93 CO 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 178.15 178.10 2fbw h LYS 95 N 0.02 0.92 -0.71 0.00 1.63 -1.74 -2.50 116.57 114.18 2fbw h LYS 95 Ca 0.12 -0.28 -0.01 0.00 -0.85 0.00 0.00 60.65 59.63 2fbw h LYS 95 Cb 0.18 -0.09 -0.03 0.00 -0.60 0.00 0.00 32.23 31.69 2fbw h LYS 95 CO -0.25 0.93 0.40 0.00 -3.45 0.00 0.00 179.45 177.08 2fbw h ALA 96 N 1.12 1.36 -0.34 5.00 0.00 -0.40 -0.56 119.26 125.43 2fbw h ALA 96 Ca 0.15 -0.10 -0.10 0.00 0.00 0.00 0.00 54.91 54.85 2fbw h ALA 96 Cb 0.54 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 2fbw h ALA 96 CO 0.03 0.53 -0.20 0.28 0.00 0.00 0.00 179.25 179.89 2fbw h VAL 97 N 0.99 1.29 -0.39 0.00 2.07 -1.03 0.26 116.25 119.44 2fbw h VAL 97 Ca 0.25 -1.33 -0.02 0.00 0.82 0.00 0.00 66.70 66.43 2fbw h VAL 97 Cb 0.01 1.41 -0.02 0.00 -1.52 0.00 0.00 31.29 31.18 2fbw h VAL 97 CO -0.04 0.43 0.16 0.00 0.02 0.00 0.00 177.57 178.14 2fbw h ALA 98 N 0.77 0.50 -0.54 1.67 0.00 -1.14 -0.88 119.26 119.64 2fbw h ALA 98 Ca 0.07 -0.13 -0.00 0.00 0.00 0.00 0.00 54.91 54.85 2fbw h ALA 98 Cb 0.74 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.36 2fbw h ALA 98 CO 0.06 0.09 0.33 0.52 0.00 0.00 0.00 179.25 180.24 2fbw h MET 99 N 0.48 0.74 -0.85 0.00 2.86 -1.02 -1.86 114.93 115.27 2fbw h MET 99 Ca 0.13 -0.07 -0.01 0.00 -2.06 0.00 0.00 59.70 57.69 2fbw h MET 99 Cb 0.17 -0.15 -0.04 0.00 0.06 0.00 0.00 31.60 31.64 2fbw h MET 99 CO -0.01 0.54 0.50 1.25 1.06 0.00 0.00 176.91 180.25 2fbw h LEU 100 N 0.73 1.02 0.00 1.22 5.85 -0.73 -1.98 115.31 121.41 2fbw h LEU 100 Ca 0.19 -0.06 0.00 0.00 0.84 0.00 0.00 57.88 58.85 2fbw h LEU 100 Cb -0.01 -0.26 0.00 0.00 0.37 0.00 0.00 40.66 40.76 2fbw h LEU 100 CO -0.04 0.79 0.00 1.87 -0.34 0.00 0.00 178.44 180.72 2fbw n TRP 101 N -4.36 0.00 1.24 1.25 -0.00 -0.35 -2.87 117.44 112.34 2fbw n TRP 101 Ca 0.09 0.00 0.13 0.00 -0.00 0.00 0.00 57.50 57.72 2fbw n TRP 101 Cb 0.07 -0.11 0.32 0.00 -0.00 0.00 0.00 31.31 31.58 2fbw n TRP 101 CO 0.00 0.00 0.00 -1.13 -0.00 0.00 0.00 177.69 176.56 2fbw n SER 102 N -1.11 1.50 0.00 5.87 3.41 -0.75 -5.06 113.62 117.47 2fbw n SER 102 Ca 0.19 -1.25 0.10 0.00 -0.26 0.00 0.00 58.87 57.65 2fbw n SER 102 Cb 0.15 0.16 0.62 0.00 -0.26 0.00 0.00 64.21 64.87 2fbw n SER 102 CO 0.00 0.00 0.00 -0.38 -0.16 0.00 0.00 175.04 174.50