#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ifx n LEU 24 N 0.00 0.00 0.30 0.00 7.94 -1.26 -4.48 117.00 119.50 3ifx n LEU 24 Ca 0.00 0.00 0.01 0.00 -1.11 0.00 0.00 56.01 54.91 3ifx n LEU 24 Cb 0.00 0.00 0.01 0.00 0.53 0.00 0.00 43.42 43.96 3ifx n LEU 24 CO 0.00 -0.37 0.97 0.00 -1.11 0.00 0.00 177.39 176.88 3ifx n HIS 25 N -2.10 0.00 -0.10 1.96 1.44 -1.26 0.25 115.22 115.42 3ifx n HIS 25 Ca 0.00 0.00 -0.12 0.00 -2.01 0.00 0.00 57.72 55.59 3ifx n HIS 25 Cb 0.00 -0.01 -0.13 0.00 0.12 0.00 0.00 29.99 29.97 3ifx n HIS 25 CO 0.00 0.00 0.00 1.87 -2.81 0.00 0.00 176.34 175.40 3ifx n TRP 26 N -2.44 0.00 0.01 -1.40 -0.00 -1.26 -4.03 117.44 108.32 3ifx n TRP 26 Ca 0.01 0.00 -0.15 0.00 -0.00 0.00 0.00 57.50 57.36 3ifx n TRP 26 Cb 0.98 -0.90 -0.14 0.00 -0.00 0.00 0.00 31.31 31.25 3ifx n TRP 26 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 177.69 177.69 3ifx h ARG 27 N 0.00 0.15 -0.04 5.87 2.47 0.28 -3.24 114.38 119.87 3ifx h ARG 27 Ca -0.51 -0.26 -0.01 0.00 -1.26 0.00 0.00 59.98 57.95 3ifx h ARG 27 Cb 1.99 0.10 -0.00 0.00 -1.65 0.00 0.00 29.97 30.40 3ifx h ARG 27 CO -0.02 0.91 -0.00 0.00 0.56 0.00 0.00 179.97 181.41 3ifx h ALA 28 N 0.58 0.05 -0.94 0.04 0.00 0.32 -2.24 119.26 117.07 3ifx h ALA 28 Ca -0.31 -0.18 0.01 0.00 0.00 0.00 0.00 54.91 54.43 3ifx h ALA 28 Cb 2.01 -0.01 -0.05 0.00 0.00 0.00 0.00 17.79 19.74 3ifx h ALA 28 CO 0.11 -0.27 0.61 0.00 0.00 0.00 0.00 179.25 179.69 3ifx h ALA 29 N 0.69 1.19 0.00 0.00 0.00 -1.70 -0.36 119.26 119.07 3ifx h ALA 29 Ca 0.01 -0.08 -0.02 0.00 0.00 0.00 0.00 54.91 54.83 3ifx h ALA 29 Cb 0.35 -0.38 -0.00 0.00 0.00 0.00 0.00 17.79 17.76 3ifx h ALA 29 CO 0.00 0.60 -0.09 0.78 0.00 0.00 0.00 179.25 180.54 3ifx h GLY 30 N 1.28 0.00 0.47 0.00 0.00 -1.57 -3.06 103.07 100.19 3ifx h GLY 30 Ca 0.34 0.00 -0.12 0.00 0.00 0.00 0.00 47.33 47.55 3ifx h GLY 30 CO -0.07 0.00 -1.72 0.00 0.00 0.00 0.00 176.54 174.75 3ifx n ALA 31 N -2.24 2.24 0.97 3.60 0.00 -0.53 -4.29 120.51 120.27 3ifx n ALA 31 Ca -0.02 -0.63 0.13 0.00 0.00 0.00 0.00 53.44 52.92 3ifx n ALA 31 Cb 0.22 -0.77 0.39 0.00 0.00 0.00 0.00 19.45 19.29 3ifx n ALA 31 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3ifx n ALA 32 N -2.38 3.04 0.10 0.00 0.00 -0.26 -2.59 120.51 118.42 3ifx n ALA 32 Ca -0.11 -0.25 -0.05 0.00 0.00 0.00 0.00 53.44 53.04 3ifx n ALA 32 Cb 0.76 -1.26 0.08 0.00 0.00 0.00 0.00 19.45 19.03 3ifx n ALA 32 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.50 179.29 3ifx h THR 33 N 0.00 1.46 0.00 0.00 1.35 -1.73 -2.80 112.91 111.19 3ifx h THR 33 Ca 0.00 -2.32 0.00 0.00 -0.55 0.00 0.00 66.41 63.54 3ifx h THR 33 Cb 0.52 2.24 0.00 0.00 -1.73 0.00 0.00 68.15 69.18 3ifx h THR 33 CO 0.00 0.67 0.00 0.52 -0.25 0.00 0.00 175.52 176.46 3ifx n VAL 34 N -3.75 0.22 0.07 6.82 0.31 -1.07 -0.55 118.33 120.39 3ifx n VAL 34 Ca -0.02 0.05 -0.11 0.00 -0.01 0.00 0.00 64.34 64.25 3ifx n VAL 34 Cb 0.69 -0.61 -0.02 0.00 -0.91 0.00 0.00 33.84 33.00 3ifx n VAL 34 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 3ifx h LEU 35 N 0.00 0.42 -0.90 7.52 3.38 -1.40 -3.36 115.31 120.96 3ifx h LEU 35 Ca 0.00 -0.33 -0.03 0.00 0.09 0.00 0.00 57.88 57.61 3ifx h LEU 35 Cb 0.45 -0.13 -0.04 0.00 0.09 0.00 0.00 40.66 41.03 3ifx h LEU 35 CO 0.00 1.11 0.37 0.25 0.09 0.00 0.00 178.44 180.27 3ifx h LEU 36 N 0.19 1.06 -1.21 1.67 5.85 -0.67 -0.56 115.31 121.64 3ifx h LEU 36 Ca -0.06 -0.13 0.04 0.00 0.84 0.00 0.00 57.88 58.57 3ifx h LEU 36 Cb 1.50 -0.27 -0.05 0.00 0.37 0.00 0.00 40.66 42.21 3ifx h LEU 36 CO 0.15 0.90 0.55 1.62 -0.34 0.00 0.00 178.44 181.31 3ifx h VAL 37 N 1.15 1.13 -0.28 1.05 3.04 -1.67 -0.55 116.25 120.12 3ifx h VAL 37 Ca 0.28 -0.35 -0.02 0.00 -1.01 0.00 0.00 66.70 65.60 3ifx h VAL 37 Cb 0.13 0.02 -0.01 0.00 -2.01 0.00 0.00 31.29 29.42 3ifx h VAL 37 CO -0.03 0.19 0.09 0.40 -1.01 0.00 0.00 177.57 177.21 3ifx h ILE 38 N 1.02 1.19 0.00 3.17 5.03 -1.29 0.51 117.51 127.13 3ifx h ILE 38 Ca 0.33 -0.61 0.00 0.00 -0.12 0.00 0.00 64.86 64.46 3ifx h ILE 38 Cb 0.05 1.07 0.00 0.00 -3.03 0.00 0.00 36.82 34.91 3ifx h ILE 38 CO -0.10 0.20 0.00 0.58 -0.68 0.00 0.00 178.15 178.15 3ifx h VAL 39 N 0.29 0.00 0.00 1.67 2.07 -0.79 0.65 116.25 120.14 3ifx h VAL 39 Ca 0.09 -0.35 -0.15 0.00 0.82 0.00 0.00 66.70 67.11 3ifx h VAL 39 Cb 0.22 1.21 -0.02 0.00 -1.52 0.00 0.00 31.29 31.18 3ifx h VAL 39 CO -0.00 0.00 -1.04 -0.11 0.02 0.00 0.00 177.57 176.44 3ifx n LEU 40 N -2.63 1.85 0.07 2.57 -0.00 -0.26 -3.49 117.00 115.10 3ifx n LEU 40 Ca 0.01 0.50 -0.02 0.00 -0.00 0.00 0.00 56.01 56.50 3ifx n LEU 40 Cb 0.26 -0.91 0.22 0.00 -0.00 0.00 0.00 43.42 42.99 3ifx n LEU 40 CO 0.23 -0.02 0.68 -0.07 -0.00 0.00 0.00 177.39 178.21 3ifx h LEU 41 N -1.00 0.33 0.21 -1.96 -0.00 -0.04 -2.44 115.31 110.41 3ifx h LEU 41 Ca -0.22 -0.12 -0.01 0.00 -0.00 0.00 0.00 57.88 57.52 3ifx h LEU 41 Cb 1.00 -0.09 0.00 0.00 -0.00 0.00 0.00 40.66 41.58 3ifx h LEU 41 CO -0.14 0.66 -0.10 0.00 -0.00 0.00 0.00 178.44 178.86 3ifx h ALA 42 N 1.36 -0.82 -0.72 1.53 0.00 -1.03 -3.00 119.26 116.57 3ifx h ALA 42 Ca 0.03 -0.06 0.15 0.00 0.00 0.00 0.00 54.91 55.03 3ifx h ALA 42 Cb 0.75 0.11 -0.05 0.00 0.00 0.00 0.00 17.79 18.61 3ifx h ALA 42 CO 0.06 -0.80 0.48 0.78 0.00 0.00 0.00 179.25 179.77 3ifx h GLY 43 N -0.36 0.59 0.20 0.00 0.00 -1.62 -0.99 103.07 100.89 3ifx h GLY 43 Ca -0.03 -0.15 -0.00 0.00 0.00 0.00 0.00 47.33 47.15 3ifx h GLY 43 CO 0.05 0.05 -0.26 1.76 0.00 0.00 0.00 176.54 178.15 3ifx h SER 44 N 0.36 -0.72 0.00 0.19 0.02 -1.51 0.67 113.55 112.55 3ifx h SER 44 Ca 0.35 0.06 0.00 0.00 -0.84 0.00 0.00 61.79 61.36 3ifx h SER 44 Cb 0.86 0.25 0.00 0.00 0.14 0.00 0.00 62.40 63.65 3ifx h SER 44 CO -0.10 -0.32 0.00 -1.22 -1.14 0.00 0.00 176.83 174.05 3ifx n TYR 45 N -3.90 0.00 -0.01 3.45 4.01 -0.63 -3.32 117.16 116.77 3ifx n TYR 45 Ca -0.05 0.00 -0.04 0.00 -0.16 0.00 0.00 57.90 57.64 3ifx n TYR 45 Cb 0.22 -0.03 -0.01 0.00 -0.31 0.00 0.00 39.34 39.21 3ifx n TYR 45 CO 0.00 0.00 0.00 -0.11 -0.46 0.00 0.00 176.86 176.29 3ifx n LEU 46 N -0.26 0.74 -1.49 7.72 0.00 -0.47 -4.71 117.00 118.53 3ifx n LEU 46 Ca 0.00 0.11 0.00 0.00 0.00 0.00 0.00 56.01 56.12 3ifx n LEU 46 Cb 0.08 -0.26 0.00 0.00 0.00 0.00 0.00 43.42 43.24 3ifx n LEU 46 CO 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 177.39 177.19 3ifx n ALA 47 N -3.42 1.28 0.00 1.96 0.00 0.23 -3.35 120.51 117.21 3ifx n ALA 47 Ca -0.07 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.37 3ifx n ALA 47 Cb 0.38 -1.21 0.00 0.00 0.00 0.00 0.00 19.45 18.62 3ifx n ALA 47 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.50 178.97 3ifx n LEU 49 N 1.32 0.00 -0.05 0.00 -0.00 -1.26 -1.20 117.00 115.81 3ifx n LEU 49 Ca 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 56.01 56.01 3ifx n LEU 49 Cb 0.00 0.00 -0.15 0.00 -0.00 0.00 0.00 43.42 43.27 3ifx n LEU 49 CO 0.00 0.00 -0.92 0.00 -0.00 0.00 0.00 177.39 176.47 3ifx n ALA 50 N 0.00 2.10 -0.36 1.47 0.00 -1.21 -4.56 120.51 117.94 3ifx n ALA 50 Ca 0.00 -0.84 0.06 0.00 0.00 0.00 0.00 53.44 52.66 3ifx n ALA 50 Cb 0.00 -0.38 0.17 0.00 0.00 0.00 0.00 19.45 19.24 3ifx n ALA 50 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 3ifx n GLU 51 N -2.43 2.89 -0.01 0.00 -0.58 -0.34 -4.71 120.64 115.45 3ifx n GLU 51 Ca -0.17 -2.22 -0.12 0.00 -0.42 0.00 0.00 57.16 54.23 3ifx n GLU 51 Cb 0.81 -1.40 -0.06 0.00 -0.57 0.00 0.00 31.44 30.22 3ifx n GLU 51 CO 0.00 0.00 0.00 -0.09 -0.48 0.00 0.00 177.13 176.56 3ifx h ARG 52 N 1.92 0.13 -4.56 3.49 9.65 -1.82 -3.38 114.38 119.82 3ifx h ARG 52 Ca 0.00 -0.02 -0.68 0.00 -1.10 0.00 0.00 59.98 58.17 3ifx h ARG 52 Cb 0.89 -0.02 -0.37 0.00 -1.39 0.00 0.00 29.97 29.08 3ifx h ARG 52 CO 0.05 0.25 -0.61 0.20 2.80 0.00 0.00 179.97 182.66 3ifx s GLY 53 N -2.60 1.97 0.00 2.80 0.00 -1.26 -4.88 107.32 103.35 3ifx s GLY 53 Ca -0.14 -2.54 0.00 0.00 0.00 0.00 0.00 44.72 42.04 3ifx s GLY 53 CO 0.68 1.00 0.00 0.00 0.00 0.00 0.00 173.10 174.78 3ifx n ALA 54 N 4.46 0.00 0.00 3.20 0.00 -1.26 -4.91 120.51 122.00 3ifx n ALA 54 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3ifx n ALA 54 Cb 0.42 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.87 3ifx n ALA 54 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 3ifx n PRO 55 N -1.11 0.00 -0.94 0.00 -0.02 -1.26 -4.72 135.00 126.95 3ifx n PRO 55 Ca 0.00 0.07 -0.36 0.00 -2.02 0.00 0.00 63.50 61.19 3ifx n PRO 55 Cb 0.00 -1.71 -0.04 0.00 -0.02 0.00 0.00 33.50 31.72 3ifx n PRO 55 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3ifx n GLY 56 N -0.90 -0.43 0.00 -1.23 0.00 -1.26 -4.91 105.19 96.45 3ifx n GLY 56 Ca 0.00 0.42 0.00 0.00 0.00 0.00 0.00 46.02 46.44 3ifx n GLY 56 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ifx n ALA 57 N 0.70 0.00 0.35 4.61 0.00 -1.26 -4.60 120.51 120.31 3ifx n ALA 57 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.56 3ifx n ALA 57 Cb 0.08 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.53 3ifx n ALA 57 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 3ifx n GLN 58 N 0.00 0.35 0.05 0.00 7.27 -1.26 -2.94 117.38 120.84 3ifx n GLN 58 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.07 3ifx n GLN 58 Cb 0.00 -1.27 -0.07 0.00 2.41 0.00 0.00 30.24 31.31 3ifx n GLN 58 CO 0.00 0.00 0.00 -0.07 0.07 0.00 0.00 177.06 177.06 3ifx h LEU 59 N 1.31 0.00 0.00 1.69 3.38 -1.91 -3.35 115.31 116.43 3ifx h LEU 59 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3ifx h LEU 59 Cb 0.29 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.04 3ifx h LEU 59 CO 0.00 0.56 0.18 2.30 0.09 0.00 0.00 178.44 181.58 3ifx n ILE 60 N -2.93 0.30 -4.21 1.22 -0.00 -1.15 -4.33 119.36 108.25 3ifx n ILE 60 Ca -0.08 0.26 -0.33 0.00 -0.00 0.00 0.00 62.75 62.60 3ifx n ILE 60 Cb 0.82 -1.26 -0.08 0.00 -0.00 0.00 0.00 39.64 39.12 3ifx n ILE 60 CO 0.00 0.00 0.00 -0.89 -0.00 0.00 0.00 176.55 175.66 3ifx s THR 61 N -1.80 4.39 -0.03 7.28 2.01 -1.26 -4.83 115.64 121.40 3ifx s THR 61 Ca 0.00 -0.51 -0.25 0.00 0.31 0.00 0.00 61.69 61.24 3ifx s THR 61 Cb 0.00 -2.98 -0.20 0.00 0.01 0.00 0.00 72.50 69.33 3ifx s THR 61 CO 0.00 0.38 1.17 0.10 -0.69 0.00 0.00 174.62 175.58 3ifx h TYR 62 N 4.28 0.15 0.00 4.92 -0.00 -1.93 -0.96 116.97 123.42 3ifx h TYR 62 Ca -0.49 -0.06 -0.07 0.00 -0.00 0.00 0.00 58.73 58.11 3ifx h TYR 62 Cb 1.18 -0.03 -0.01 0.00 -0.00 0.00 0.00 36.73 37.87 3ifx h TYR 62 CO 0.62 0.70 -0.34 -1.00 -0.00 0.00 0.00 178.16 178.14 3ifx h PRO 63 N -0.45 0.00 0.39 0.10 0.13 -1.96 0.80 132.00 131.01 3ifx h PRO 63 Ca -0.00 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 65.11 3ifx h PRO 63 Cb 0.70 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.83 3ifx h PRO 63 CO 0.02 0.34 -0.27 0.00 -0.23 0.00 0.00 178.00 177.86 3ifx h ARG 64 N 0.00 -0.60 -0.64 0.86 -0.00 -1.85 -2.49 114.38 109.66 3ifx h ARG 64 Ca -0.00 0.04 0.13 0.00 -0.50 0.00 0.00 59.98 59.65 3ifx h ARG 64 Cb 0.64 0.14 -0.12 0.00 0.00 0.00 0.00 29.97 30.63 3ifx h ARG 64 CO 0.04 -0.40 -0.09 0.00 0.00 0.00 0.00 179.97 179.52 3ifx h ALA 65 N -1.46 0.53 -0.96 0.04 0.00 -0.82 0.32 119.26 116.91 3ifx h ALA 65 Ca -0.05 0.23 0.27 0.00 0.00 0.00 0.00 54.91 55.35 3ifx h ALA 65 Cb 0.51 0.43 -0.14 0.00 0.00 0.00 0.00 17.79 18.59 3ifx h ALA 65 CO 0.03 -0.42 0.48 1.25 0.00 0.00 0.00 179.25 180.60 3ifx h LEU 66 N 0.05 0.42 -0.05 0.00 7.12 -0.83 0.26 115.31 122.29 3ifx h LEU 66 Ca 0.33 0.17 -0.02 0.00 0.13 0.00 0.00 57.88 58.49 3ifx h LEU 66 Cb 0.52 0.14 -0.00 0.00 -0.53 0.00 0.00 40.66 40.79 3ifx h LEU 66 CO -0.62 -0.06 -0.05 -0.25 -0.13 0.00 0.00 178.44 177.34 3ifx h TRP 67 N 0.38 0.14 -0.00 1.25 2.91 -0.50 -2.86 115.95 117.26 3ifx h TRP 67 Ca 0.65 -0.04 0.00 0.00 1.13 0.00 0.00 58.89 60.62 3ifx h TRP 67 Cb 1.34 -0.03 -0.00 0.00 -0.51 0.00 0.00 29.16 29.96 3ifx h TRP 67 CO -0.08 0.59 -0.01 2.35 -1.03 0.00 0.00 178.44 180.26 3ifx h TRP 68 N -0.35 -0.02 -1.06 2.65 7.01 0.56 -1.84 115.95 122.89 3ifx h TRP 68 Ca 0.01 0.00 0.35 0.00 2.11 0.00 0.00 58.89 61.36 3ifx h TRP 68 Cb 0.57 0.01 -0.14 0.00 -2.10 0.00 0.00 29.16 27.49 3ifx h TRP 68 CO 0.10 -0.01 0.62 0.66 -2.79 0.00 0.00 178.44 177.02 3ifx h SER 69 N -0.01 0.44 0.63 2.65 4.64 -1.07 0.27 113.55 121.11 3ifx h SER 69 Ca 0.00 0.18 -0.02 0.00 -0.47 0.00 0.00 61.79 61.48 3ifx h SER 69 Cb 0.01 0.14 -0.01 0.00 -0.31 0.00 0.00 62.40 62.23 3ifx h SER 69 CO -0.01 -0.16 -0.51 0.58 -0.87 0.00 0.00 176.83 175.86 3ifx h VAL 70 N 0.25 0.00 0.16 0.95 2.07 -1.11 1.88 116.25 120.45 3ifx h VAL 70 Ca 0.75 0.00 0.01 0.00 0.82 0.00 0.00 66.70 68.28 3ifx h VAL 70 Cb 1.89 0.00 -0.04 0.00 -1.52 0.00 0.00 31.29 31.62 3ifx h VAL 70 CO -0.57 0.00 -0.45 -0.33 0.02 0.00 0.00 177.57 176.24 3ifx h GLU 71 N -1.11 -0.67 -0.84 1.57 3.07 -0.25 -2.31 114.58 114.04 3ifx h GLU 71 Ca -0.08 0.05 0.18 0.00 -0.50 0.00 0.00 59.36 59.00 3ifx h GLU 71 Cb 0.93 0.15 -0.16 0.00 -0.84 0.00 0.00 28.75 28.83 3ifx h GLU 71 CO 0.01 -0.44 -0.17 1.15 -1.40 0.00 0.00 179.01 178.15 3ifx h THR 72 N -0.69 0.17 -0.95 1.13 2.02 -0.31 0.41 112.91 114.69 3ifx h THR 72 Ca -0.01 -0.00 0.26 0.00 0.77 0.00 0.00 66.41 67.42 3ifx h THR 72 Cb 0.67 0.16 -0.14 0.00 -1.74 0.00 0.00 68.15 67.11 3ifx h THR 72 CO -0.21 0.00 0.46 0.00 0.37 0.00 0.00 175.52 176.14 3ifx h ALA 73 N 1.84 1.64 -0.15 6.16 0.00 0.35 1.72 119.26 130.81 3ifx h ALA 73 Ca 0.42 0.18 0.00 0.00 0.00 0.00 0.00 54.91 55.50 3ifx h ALA 73 Cb 0.67 0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.61 3ifx h ALA 73 CO -0.85 -0.42 0.00 0.25 0.00 0.00 0.00 179.25 178.23 3ifx n THR 74 N -5.05 0.20 -2.89 0.00 -2.24 0.14 -4.44 114.28 100.01 3ifx n THR 74 Ca 0.26 -0.21 -0.20 0.00 -2.27 0.00 0.00 64.05 61.63 3ifx n THR 74 Cb 0.78 0.09 0.01 0.00 -2.10 0.00 0.00 70.33 69.12 3ifx n THR 74 CO 0.00 0.00 0.00 1.07 -0.57 0.00 0.00 175.07 175.57 3ifx n THR 75 N -0.06 -1.30 0.00 4.28 5.66 0.58 -4.92 114.28 118.52 3ifx n THR 75 Ca 0.07 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.07 3ifx n THR 75 Cb 0.15 -2.64 0.00 0.00 -1.55 0.00 0.00 70.33 66.29 3ifx n THR 75 CO 0.00 0.00 0.00 1.33 -3.05 0.00 0.00 175.07 173.35 3ifx n VAL 76 N -4.06 0.00 -1.43 1.08 0.24 -1.14 -5.01 118.33 108.01 3ifx n VAL 76 Ca -0.12 0.65 0.00 0.00 -2.04 0.00 0.00 64.34 62.83 3ifx n VAL 76 Cb 0.61 -1.32 0.00 0.00 -1.47 0.00 0.00 33.84 31.66 3ifx n VAL 76 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3ifx n GLY 77 N 0.96 0.50 0.41 7.63 0.00 -1.26 -5.00 105.19 108.43 3ifx n GLY 77 Ca 0.00 -0.36 -0.09 0.00 0.00 0.00 0.00 46.02 45.57 3ifx n GLY 77 CO 0.00 0.00 0.00 0.10 0.00 0.00 0.00 173.32 173.42 3ifx h TYR 78 N 0.00 -1.58 0.00 1.61 -0.00 -1.95 -3.46 116.97 111.59 3ifx h TYR 78 Ca 0.00 0.10 0.00 0.00 -0.00 0.00 0.00 58.73 58.83 3ifx h TYR 78 Cb 0.73 0.79 0.00 0.00 -0.00 0.00 0.00 36.73 38.26 3ifx h TYR 78 CO 0.00 -0.41 0.00 0.41 -0.00 0.00 0.00 178.16 178.16 3ifx n GLY 79 N -1.35 2.72 0.39 0.10 0.00 -1.26 -4.96 105.19 100.83 3ifx n GLY 79 Ca 0.02 0.00 0.28 0.00 0.00 0.00 0.00 46.02 46.32 3ifx n GLY 79 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 3ifx h ASP 80 N 0.02 0.41 -5.50 1.61 2.03 -2.05 -3.42 116.42 109.53 3ifx h ASP 80 Ca 0.00 0.15 -0.20 0.00 -0.73 0.00 0.00 57.03 56.24 3ifx h ASP 80 Cb 0.00 0.10 -0.12 0.00 -0.83 0.00 0.00 39.33 38.48 3ifx h ASP 80 CO 0.00 -0.09 -0.41 -0.76 -1.03 0.00 0.00 179.24 176.95 3ifx s LEU 81 N -9.93 0.91 0.00 0.15 1.43 -1.26 -4.83 118.68 105.16 3ifx s LEU 81 Ca -0.09 -1.28 0.00 0.00 -1.03 0.00 0.00 54.13 51.73 3ifx s LEU 81 Cb 0.29 0.94 0.00 0.00 0.03 0.00 0.00 46.19 47.45 3ifx s LEU 81 CO 0.80 -1.00 0.00 0.00 0.23 0.00 0.00 176.35 176.38 3ifx n TYR 82 N -0.36 0.00 -2.26 0.29 4.11 -1.26 -4.97 117.16 112.71 3ifx n TYR 82 Ca 0.01 0.00 -0.42 0.00 -0.00 0.00 0.00 57.90 57.49 3ifx n TYR 82 Cb 0.64 0.00 -0.03 0.00 -0.00 0.00 0.00 39.34 39.95 3ifx n TYR 82 CO 0.00 0.00 0.00 -1.25 -0.00 0.00 0.00 176.86 175.61 3ifx s PRO 83 N -1.32 4.35 -0.21 -3.48 0.04 -1.26 -4.38 135.00 128.74 3ifx s PRO 83 Ca 0.00 1.97 0.12 0.00 0.04 0.00 0.00 61.00 63.12 3ifx s PRO 83 Cb 0.00 -3.30 -0.21 0.00 0.04 0.00 0.00 34.50 31.03 3ifx s PRO 83 CO 0.00 -0.39 -0.04 0.28 0.04 0.00 0.00 177.00 176.89 3ifx n VAL 84 N 3.99 1.36 -1.71 -0.36 0.31 -1.26 -4.30 118.33 116.36 3ifx n VAL 84 Ca 0.11 -0.72 -0.43 0.00 -0.01 0.00 0.00 64.34 63.29 3ifx n VAL 84 Cb 0.44 -0.81 -0.02 0.00 -0.91 0.00 0.00 33.84 32.53 3ifx n VAL 84 CO 0.00 0.00 0.00 0.41 -1.32 0.00 0.00 176.83 175.92 3ifx n THR 85 N -2.90 0.64 -0.33 2.52 -1.04 -1.26 -4.73 114.28 107.18 3ifx n THR 85 Ca -0.36 -0.16 0.27 0.00 -2.04 0.00 0.00 64.05 61.76 3ifx n THR 85 Cb 1.07 -1.80 0.51 0.00 -1.82 0.00 0.00 70.33 68.29 3ifx n THR 85 CO 0.00 0.00 0.00 0.25 -0.64 0.00 0.00 175.07 174.68 3ifx h LEU 86 N 5.26 0.30 0.00 -4.42 5.85 -1.93 0.36 115.31 120.74 3ifx h LEU 86 Ca -0.45 0.24 -0.05 0.00 0.84 0.00 0.00 57.88 58.45 3ifx h LEU 86 Cb 1.23 0.24 0.00 0.00 0.37 0.00 0.00 40.66 42.51 3ifx h LEU 86 CO 0.83 -0.32 -0.20 -0.50 -0.34 0.00 0.00 178.44 177.92 3ifx h TRP 87 N 0.12 0.19 -0.69 1.25 -0.00 -1.92 -2.78 115.95 112.11 3ifx h TRP 87 Ca 0.78 -0.11 0.11 0.00 -0.00 0.00 0.00 58.89 59.67 3ifx h TRP 87 Cb 1.92 -0.02 -0.08 0.00 -0.00 0.00 0.00 29.16 30.98 3ifx h TRP 87 CO -0.06 0.93 0.28 0.78 -0.00 0.00 0.00 178.44 180.37 3ifx h GLY 88 N -0.60 1.02 -0.07 1.49 0.00 -1.34 -1.79 103.07 101.78 3ifx h GLY 88 Ca -0.03 -0.15 0.03 0.00 0.00 0.00 0.00 47.33 47.18 3ifx h GLY 88 CO 0.04 -0.03 -0.54 3.21 0.00 0.00 0.00 176.54 179.22 3ifx h ARG 89 N 0.47 -0.60 -0.23 4.80 3.08 -0.41 -1.65 114.38 119.84 3ifx h ARG 89 Ca 0.36 0.04 0.06 0.00 0.07 0.00 0.00 59.98 60.51 3ifx h ARG 89 Cb 0.48 0.14 -0.07 0.00 0.08 0.00 0.00 29.97 30.59 3ifx h ARG 89 CO -0.34 -0.40 -0.28 -0.07 -1.07 0.00 0.00 179.97 177.82 3ifx h LEU 90 N -0.62 -0.89 -0.77 3.04 3.38 -1.15 -2.07 115.31 116.23 3ifx h LEU 90 Ca 0.02 0.15 0.15 0.00 0.09 0.00 0.00 57.88 58.29 3ifx h LEU 90 Cb 0.69 0.40 -0.14 0.00 0.09 0.00 0.00 40.66 41.70 3ifx h LEU 90 CO -0.40 -0.31 -0.24 0.58 0.09 0.00 0.00 178.44 178.16 3ifx h VAL 91 N -0.29 0.18 -0.06 1.22 2.07 -1.15 -0.02 116.25 118.20 3ifx h VAL 91 Ca 0.13 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.66 3ifx h VAL 91 Cb 0.50 0.18 -0.01 0.00 -1.52 0.00 0.00 31.29 30.44 3ifx h VAL 91 CO -0.40 0.00 -0.04 0.00 0.02 0.00 0.00 177.57 177.15 3ifx h ALA 92 N 1.60 -0.15 -0.58 1.67 0.00 -0.58 0.22 119.26 121.44 3ifx h ALA 92 Ca 0.35 0.01 0.16 0.00 0.00 0.00 0.00 54.91 55.43 3ifx h ALA 92 Cb 0.58 0.92 -0.11 0.00 0.00 0.00 0.00 17.79 19.18 3ifx h ALA 92 CO -0.81 -0.18 0.03 0.28 0.00 0.00 0.00 179.25 178.57 3ifx n VAL 93 N -3.07 -0.24 0.07 0.00 0.31 -0.08 0.16 118.33 115.49 3ifx n VAL 93 Ca -0.00 1.26 -0.13 0.00 -0.01 0.00 0.00 64.34 65.46 3ifx n VAL 93 Cb 0.02 -1.85 -0.08 0.00 -0.91 0.00 0.00 33.84 31.01 3ifx n VAL 93 CO 0.00 0.00 0.00 0.58 -1.32 0.00 0.00 176.83 176.09 3ifx h VAL 94 N 0.00 1.03 0.00 2.52 2.07 -0.14 -2.26 116.25 119.47 3ifx h VAL 94 Ca 0.36 -0.50 -0.04 0.00 0.82 0.00 0.00 66.70 67.34 3ifx h VAL 94 Cb 0.75 1.35 -0.01 0.00 -1.52 0.00 0.00 31.29 31.86 3ifx h VAL 94 CO -0.54 0.12 -0.19 1.62 0.02 0.00 0.00 177.57 178.61 3ifx h VAL 95 N -0.37 0.68 0.21 2.57 3.04 0.45 -1.50 116.25 121.32 3ifx h VAL 95 Ca -0.01 -0.80 -0.29 0.00 -1.01 0.00 0.00 66.70 64.58 3ifx h VAL 95 Cb 0.31 1.51 0.03 0.00 -2.01 0.00 0.00 31.29 31.12 3ifx h VAL 95 CO 0.02 0.18 -1.30 0.24 -1.01 0.00 0.00 177.57 175.71 3ifx h MET 96 N 0.00 0.44 -0.95 4.17 2.86 -1.04 -3.19 114.93 117.21 3ifx h MET 96 Ca -0.00 -0.76 0.09 0.00 -2.06 0.00 0.00 59.70 56.97 3ifx h MET 96 Cb 0.49 0.28 -0.08 0.00 0.06 0.00 0.00 31.60 32.36 3ifx h MET 96 CO 0.02 1.36 0.60 -0.24 1.06 0.00 0.00 176.91 179.71 3ifx h VAL 97 N -0.04 0.98 -0.22 -2.22 3.04 -1.17 -2.73 116.25 113.89 3ifx h VAL 97 Ca -0.23 -0.34 0.03 0.00 -1.01 0.00 0.00 66.70 65.14 3ifx h VAL 97 Cb 1.99 -0.12 -0.04 0.00 -2.01 0.00 0.00 31.29 31.11 3ifx h VAL 97 CO 0.22 0.18 -0.30 0.00 -1.01 0.00 0.00 177.57 176.66 3ifx h ALA 98 N 1.48 -0.56 0.00 3.17 0.00 -1.32 0.15 119.26 122.18 3ifx h ALA 98 Ca 0.45 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.36 3ifx h ALA 98 Cb 0.34 0.93 0.00 0.00 0.00 0.00 0.00 17.79 19.06 3ifx h ALA 98 CO -0.23 -0.70 0.00 0.41 0.00 0.00 0.00 179.25 178.73 3ifx n GLY 99 N -1.20 1.53 1.00 0.00 0.00 -1.07 -0.09 105.19 105.36 3ifx n GLY 99 Ca -0.02 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.00 3ifx n GLY 99 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 3ifx n ILE 100 N 0.12 0.20 -0.25 -0.61 -5.35 -0.43 -4.17 119.36 108.87 3ifx n ILE 100 Ca 0.00 0.06 -0.03 0.00 -0.27 0.00 0.00 62.75 62.51 3ifx n ILE 100 Cb 0.29 -1.52 0.03 0.00 -1.74 0.00 0.00 39.64 36.70 3ifx n ILE 100 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3ifx h THR 101 N -0.00 0.14 -0.70 7.28 1.03 -0.82 0.37 112.91 120.21 3ifx h THR 101 Ca -0.00 0.00 0.04 0.00 -0.01 0.00 0.00 66.41 66.44 3ifx h THR 101 Cb 0.85 0.14 -0.04 0.00 -1.07 0.00 0.00 68.15 68.03 3ifx h THR 101 CO -0.00 0.00 0.46 0.77 -0.01 0.00 0.00 175.52 176.74 3ifx h SER 102 N -0.11 0.70 0.13 0.00 4.64 -0.66 -3.13 113.55 115.13 3ifx h SER 102 Ca 0.28 -0.00 -0.21 0.00 -0.47 0.00 0.00 61.79 61.39 3ifx h SER 102 Cb 0.56 -0.16 0.02 0.00 -0.31 0.00 0.00 62.40 62.52 3ifx h SER 102 CO -0.76 0.48 -0.88 -0.26 -0.87 0.00 0.00 176.83 174.53 3ifx h PHE 103 N 0.81 0.64 -0.18 4.77 0.04 -1.42 -3.29 116.94 118.32 3ifx h PHE 103 Ca 0.29 -0.44 0.05 0.00 2.80 0.00 0.00 57.97 60.67 3ifx h PHE 103 Cb 0.12 -0.04 -0.01 0.00 2.20 0.00 0.00 35.95 38.23 3ifx h PHE 103 CO -0.00 1.32 0.27 0.78 -0.60 0.00 0.00 178.31 180.08 3ifx h GLY 104 N -0.22 0.00 0.65 -1.45 0.00 -0.26 -2.35 103.07 99.45 3ifx h GLY 104 Ca -0.15 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.16 3ifx h GLY 104 CO 0.17 0.00 -0.18 -2.00 0.00 0.00 0.00 176.54 174.53 3ifx h LEU 105 N 0.00 -0.42 -0.58 3.11 5.85 -1.62 -0.71 115.31 120.94 3ifx h LEU 105 Ca 0.08 -0.14 0.12 0.00 0.84 0.00 0.00 57.88 58.78 3ifx h LEU 105 Cb 0.61 0.11 -0.11 0.00 0.37 0.00 0.00 40.66 41.64 3ifx h LEU 105 CO -0.00 -0.04 -0.11 0.58 -0.34 0.00 0.00 178.44 178.52 3ifx h VAL 106 N -0.85 0.44 -0.05 1.05 2.07 -1.54 0.36 116.25 117.73 3ifx h VAL 106 Ca -0.05 -0.01 -0.02 0.00 0.82 0.00 0.00 66.70 67.44 3ifx h VAL 106 Cb 0.54 0.42 -0.01 0.00 -1.52 0.00 0.00 31.29 30.72 3ifx h VAL 106 CO 0.08 0.00 -0.06 0.74 0.02 0.00 0.00 177.57 178.35 3ifx h THR 107 N 0.02 1.08 0.12 2.57 2.02 -1.45 0.36 112.91 117.64 3ifx h THR 107 Ca 0.29 -0.36 -0.28 0.00 0.77 0.00 0.00 66.41 66.83 3ifx h THR 107 Cb 0.44 1.12 0.01 0.00 -1.74 0.00 0.00 68.15 67.98 3ifx h THR 107 CO -0.58 0.11 -1.21 0.00 0.37 0.00 0.00 175.52 174.21 3ifx h ALA 108 N 1.86 0.10 -0.63 6.16 0.00 0.69 -2.58 119.26 124.86 3ifx h ALA 108 Ca 0.02 -0.82 -0.06 0.00 0.00 0.00 0.00 54.91 54.04 3ifx h ALA 108 Cb 0.17 0.05 -0.03 0.00 0.00 0.00 0.00 17.79 17.98 3ifx h ALA 108 CO 0.01 0.84 0.14 0.00 0.00 0.00 0.00 179.25 180.25 3ifx h ALA 109 N 0.50 1.06 -0.44 0.00 0.00 0.05 -2.60 119.26 117.83 3ifx h ALA 109 Ca -0.15 -0.23 0.02 0.00 0.00 0.00 0.00 54.91 54.55 3ifx h ALA 109 Cb 1.90 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 19.41 3ifx h ALA 109 CO 0.21 0.62 0.25 -0.07 0.00 0.00 0.00 179.25 180.26 3ifx h LEU 110 N 0.95 0.40 -0.52 0.00 4.07 -0.96 -0.60 115.31 118.65 3ifx h LEU 110 Ca 0.20 0.01 -0.09 0.00 0.08 0.00 0.00 57.88 58.08 3ifx h LEU 110 Cb 0.35 -0.08 -0.02 0.00 1.08 0.00 0.00 40.66 42.00 3ifx h LEU 110 CO 0.00 0.29 -0.02 0.00 -1.08 0.00 0.00 178.44 177.62 3ifx h ALA 111 N 1.21 0.70 0.00 1.53 0.00 -1.32 -2.00 119.26 119.37 3ifx h ALA 111 Ca 0.18 -0.30 -0.10 0.00 0.00 0.00 0.00 54.91 54.69 3ifx h ALA 111 Cb 0.03 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 3ifx h ALA 111 CO -0.09 0.54 -0.47 1.79 0.00 0.00 0.00 179.25 181.02 3ifx h THR 112 N 0.80 1.29 -0.04 0.00 1.35 -1.31 -2.28 112.91 112.72 3ifx h THR 112 Ca 0.14 -1.62 -0.22 0.00 -0.55 0.00 0.00 66.41 64.17 3ifx h THR 112 Cb 0.56 1.88 0.00 0.00 -1.73 0.00 0.00 68.15 68.87 3ifx h THR 112 CO 0.03 0.46 -0.87 -0.25 -0.25 0.00 0.00 175.52 174.64 3ifx h TRP 113 N 0.00 0.70 0.00 4.73 7.01 -1.04 -1.39 115.95 125.96 3ifx h TRP 113 Ca -0.00 -0.35 -0.09 0.00 2.11 0.00 0.00 58.89 60.55 3ifx h TRP 113 Cb 0.85 -0.09 -0.01 0.00 -2.10 0.00 0.00 29.16 27.80 3ifx h TRP 113 CO 0.00 1.16 -0.44 0.74 -2.79 0.00 0.00 178.44 177.11 3ifx h PHE 114 N 0.31 0.00 0.00 2.65 -1.00 -1.03 -2.99 116.94 114.87 3ifx h PHE 114 Ca -0.07 0.00 -0.20 0.00 2.81 0.00 0.00 57.97 60.51 3ifx h PHE 114 Cb 1.49 0.00 -0.03 0.00 3.61 0.00 0.00 35.95 41.02 3ifx h PHE 114 CO 0.06 0.44 -1.29 0.28 -1.61 0.00 0.00 178.31 176.19 3ifx h VAL 115 N 0.00 0.83 -0.88 -0.55 2.07 -1.41 -3.27 116.25 113.04 3ifx h VAL 115 Ca -0.00 -2.43 0.18 0.00 0.82 0.00 0.00 66.70 65.27 3ifx h VAL 115 Cb 0.82 2.32 -0.07 0.00 -1.52 0.00 0.00 31.29 32.84 3ifx h VAL 115 CO 0.06 0.47 0.58 1.23 0.02 0.00 0.00 177.57 179.93 3ifx h GLY 116 N 3.52 0.95 0.35 2.17 0.00 -1.09 0.11 103.07 109.08 3ifx h GLY 116 Ca -0.15 -0.22 0.00 0.00 0.00 0.00 0.00 47.33 46.96 3ifx h GLY 116 CO 0.07 0.02 -0.81 -2.13 0.00 0.00 0.00 176.54 173.70 3ifx n ARG 117 N -4.53 0.02 0.09 4.80 3.00 -1.25 -4.05 116.66 114.75 3ifx n ARG 117 Ca 0.18 -0.02 0.12 0.00 -0.00 0.00 0.00 57.85 58.13 3ifx n ARG 117 Cb 0.62 -1.50 0.45 0.00 0.00 0.00 0.00 32.46 32.03 3ifx n ARG 117 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.63 175.72 3ifx n GLU 118 N -1.47 0.17 0.00 -0.14 4.07 0.38 -5.16 120.64 118.48 3ifx n GLU 118 Ca 0.05 0.30 0.00 0.00 -0.06 0.00 0.00 57.16 57.44 3ifx n GLU 118 Cb 0.33 -1.76 0.00 0.00 -0.06 0.00 0.00 31.44 29.95 3ifx n GLU 118 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07