#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2a9h n LEU 24 N 0.00 0.00 -0.02 0.00 7.94 -1.26 -4.89 117.00 118.77 2a9h n LEU 24 Ca 0.00 0.00 0.15 0.00 -1.11 0.00 0.00 56.01 55.05 2a9h n LEU 24 Cb 0.00 0.24 0.60 0.00 0.53 0.00 0.00 43.42 44.79 2a9h n LEU 24 CO 0.00 -0.24 1.17 1.12 -1.11 0.00 0.00 177.39 178.34 2a9h h HIS 25 N 0.00 0.21 0.10 1.96 2.07 -1.98 0.48 115.15 117.99 2a9h h HIS 25 Ca 0.00 0.01 -0.00 0.00 -2.85 0.00 0.00 60.37 57.52 2a9h h HIS 25 Cb 0.00 -0.07 0.00 0.00 2.57 0.00 0.00 27.41 29.91 2a9h h HIS 25 CO 0.00 0.09 -0.05 2.35 -3.07 0.00 0.00 177.93 177.26 2a9h h TRP 26 N 0.19 -0.12 -0.08 6.12 -0.00 -1.91 -3.05 115.95 117.10 2a9h h TRP 26 Ca 0.24 -0.00 0.03 0.00 -0.00 0.00 0.00 58.89 59.16 2a9h h TRP 26 Cb 0.70 0.04 -0.04 0.00 -0.00 0.00 0.00 29.16 29.87 2a9h h TRP 26 CO -0.00 -0.08 -0.15 -0.09 -0.00 0.00 0.00 178.44 178.13 2a9h h ARG 27 N -0.65 -0.20 -0.83 2.65 9.65 -1.87 0.86 114.38 124.00 2a9h h ARG 27 Ca -0.01 0.01 0.19 0.00 -1.10 0.00 0.00 59.98 59.07 2a9h h ARG 27 Cb 0.10 0.04 -0.12 0.00 -1.39 0.00 0.00 29.97 28.61 2a9h h ARG 27 CO 0.02 -0.13 0.28 0.00 2.80 0.00 0.00 179.97 182.95 2a9h h ALA 28 N 0.81 1.20 -0.18 2.80 0.00 -0.21 0.41 119.26 124.09 2a9h h ALA 28 Ca 0.08 0.17 -0.10 0.00 0.00 0.00 0.00 54.91 55.05 2a9h h ALA 28 Cb 0.31 0.20 -0.00 0.00 0.00 0.00 0.00 17.79 18.30 2a9h h ALA 28 CO -0.20 -0.34 -0.28 0.00 0.00 0.00 0.00 179.25 178.43 2a9h h ALA 29 N 1.67 0.28 -0.80 0.00 0.00 -1.26 -1.40 119.26 117.75 2a9h h ALA 29 Ca 0.49 -0.40 -0.03 0.00 0.00 0.00 0.00 54.91 54.98 2a9h h ALA 29 Cb 0.90 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 18.60 2a9h h ALA 29 CO -0.53 0.29 0.39 0.78 0.00 0.00 0.00 179.25 180.17 2a9h h GLY 30 N 0.17 1.22 1.38 0.00 0.00 0.73 -2.81 103.07 103.76 2a9h h GLY 30 Ca 0.02 -0.59 -0.21 0.00 0.00 0.00 0.00 47.33 46.54 2a9h h GLY 30 CO 0.06 0.56 -0.79 0.00 0.00 0.00 0.00 176.54 176.38 2a9h h ALA 31 N 1.29 0.42 -1.01 3.60 0.00 -0.27 -3.21 119.26 120.08 2a9h h ALA 31 Ca 0.28 -0.62 0.24 0.00 0.00 0.00 0.00 54.91 54.81 2a9h h ALA 31 Cb 0.10 -0.03 -0.12 0.00 0.00 0.00 0.00 17.79 17.74 2a9h h ALA 31 CO -0.04 0.73 0.60 0.00 0.00 0.00 0.00 179.25 180.54 2a9h h ALA 32 N 0.72 1.79 -0.69 0.00 0.00 -0.98 0.37 119.26 120.46 2a9h h ALA 32 Ca -0.05 0.12 0.09 0.00 0.00 0.00 0.00 54.91 55.06 2a9h h ALA 32 Cb 1.40 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 19.15 2a9h h ALA 32 CO 0.15 -0.25 0.46 1.15 0.00 0.00 0.00 179.25 180.76 2a9h h THR 33 N 0.60 0.95 -0.29 0.00 2.02 -1.55 -1.97 112.91 112.68 2a9h h THR 33 Ca 0.64 -0.21 -0.00 0.00 0.77 0.00 0.00 66.41 67.60 2a9h h THR 33 Cb 1.19 0.28 -0.01 0.00 -1.74 0.00 0.00 68.15 67.87 2a9h h THR 33 CO -0.46 0.11 0.16 0.58 0.37 0.00 0.00 175.52 176.29 2a9h h VAL 34 N 0.62 1.12 0.20 3.16 2.07 -0.40 -2.45 116.25 120.57 2a9h h VAL 34 Ca 0.31 -0.30 0.01 0.00 0.82 0.00 0.00 66.70 67.54 2a9h h VAL 34 Cb 0.41 0.79 -0.04 0.00 -1.52 0.00 0.00 31.29 30.93 2a9h h VAL 34 CO -0.10 0.12 -0.51 -0.07 0.02 0.00 0.00 177.57 177.02 2a9h h LEU 35 N 0.36 -1.51 -1.15 2.57 3.38 -1.30 -0.43 115.31 117.23 2a9h h LEU 35 Ca 0.10 0.15 0.21 0.00 0.09 0.00 0.00 57.88 58.44 2a9h h LEU 35 Cb 0.04 0.55 -0.10 0.00 0.09 0.00 0.00 40.66 41.24 2a9h h LEU 35 CO -0.02 -0.58 0.62 0.25 0.09 0.00 0.00 178.44 178.80 2a9h h LEU 36 N -0.80 0.66 -0.26 1.67 6.46 -1.49 -0.10 115.31 121.45 2a9h h LEU 36 Ca -0.01 0.09 -0.02 0.00 -0.12 0.00 0.00 57.88 57.82 2a9h h LEU 36 Cb 0.78 -0.03 -0.01 0.00 -0.73 0.00 0.00 40.66 40.67 2a9h h LEU 36 CO -0.24 0.21 0.10 0.58 -0.62 0.00 0.00 178.44 178.47 2a9h h VAL 37 N 0.63 1.18 0.61 1.05 2.07 -0.78 -1.32 116.25 119.70 2a9h h VAL 37 Ca 0.57 -0.54 -0.03 0.00 0.82 0.00 0.00 66.70 67.52 2a9h h VAL 37 Cb 1.07 1.06 0.01 0.00 -1.52 0.00 0.00 31.29 31.91 2a9h h VAL 37 CO -0.34 0.18 -0.29 0.40 0.02 0.00 0.00 177.57 177.53 2a9h h ILE 38 N 0.26 0.00 -1.07 4.57 2.04 0.51 -2.93 117.51 120.89 2a9h h ILE 38 Ca 0.08 -0.15 0.30 0.00 1.00 0.00 0.00 64.86 66.09 2a9h h ILE 38 Cb 0.19 0.00 -0.06 0.00 -0.74 0.00 0.00 36.82 36.21 2a9h h ILE 38 CO -0.01 0.00 0.74 0.58 0.00 0.00 0.00 178.15 179.47 2a9h h VAL 39 N -0.97 0.48 0.52 1.67 2.07 -1.19 -1.34 116.25 117.48 2a9h h VAL 39 Ca -0.08 -0.05 -0.02 0.00 0.82 0.00 0.00 66.70 67.36 2a9h h VAL 39 Cb 0.63 0.31 0.00 0.00 -1.52 0.00 0.00 31.29 30.71 2a9h h VAL 39 CO 0.14 0.03 -0.28 -0.07 0.02 0.00 0.00 177.57 177.40 2a9h h LEU 40 N 0.15 -0.70 0.21 2.57 3.38 -1.08 0.23 115.31 120.07 2a9h h LEU 40 Ca 0.55 0.03 0.01 0.00 0.09 0.00 0.00 57.88 58.56 2a9h h LEU 40 Cb 1.87 0.19 -0.02 0.00 0.09 0.00 0.00 40.66 42.79 2a9h h LEU 40 CO -0.12 -0.46 -0.23 -0.07 0.09 0.00 0.00 178.44 177.66 2a9h h LEU 41 N -0.74 -0.61 -0.13 1.67 4.07 -1.19 -1.61 115.31 116.76 2a9h h LEU 41 Ca -0.07 0.06 0.02 0.00 0.08 0.00 0.00 57.88 57.97 2a9h h LEU 41 Cb 0.58 0.21 -0.05 0.00 1.08 0.00 0.00 40.66 42.49 2a9h h LEU 41 CO 0.09 -0.33 -0.40 0.00 -1.08 0.00 0.00 178.44 176.72 2a9h h ALA 42 N 0.23 -0.75 -0.51 1.53 0.00 -1.31 -1.27 119.26 117.18 2a9h h ALA 42 Ca 0.00 -0.04 0.10 0.00 0.00 0.00 0.00 54.91 54.98 2a9h h ALA 42 Cb 0.45 0.92 -0.10 0.00 0.00 0.00 0.00 17.79 19.06 2a9h h ALA 42 CO -0.06 -0.90 -0.17 0.78 0.00 0.00 0.00 179.25 178.89 2a9h h GLY 43 N -0.40 0.26 -0.08 0.00 0.00 -0.88 0.47 103.07 102.44 2a9h h GLY 43 Ca 0.03 0.22 0.06 0.00 0.00 0.00 0.00 47.33 47.64 2a9h h GLY 43 CO -0.34 -0.21 -0.40 1.76 0.00 0.00 0.00 176.54 177.35 2a9h h SER 44 N -0.05 -1.28 -0.28 0.19 0.02 -0.68 0.42 113.55 111.88 2a9h h SER 44 Ca 0.24 0.19 -0.07 0.00 -0.84 0.00 0.00 61.79 61.31 2a9h h SER 44 Cb 0.43 0.54 -0.02 0.00 0.14 0.00 0.00 62.40 63.49 2a9h h SER 44 CO -0.55 -0.39 -0.04 1.88 -1.14 0.00 0.00 176.83 176.59 2a9h h TYR 45 N -0.40 0.68 -0.30 3.45 -1.99 -0.54 0.35 116.97 118.22 2a9h h TYR 45 Ca 0.11 -0.09 -0.01 0.00 2.00 0.00 0.00 58.73 60.73 2a9h h TYR 45 Cb 0.59 -0.19 -0.01 0.00 2.00 0.00 0.00 36.73 39.12 2a9h h TYR 45 CO -0.52 0.67 0.14 1.25 -0.00 0.00 0.00 178.16 179.70 2a9h h LEU 46 N 0.60 0.40 -0.16 3.88 5.85 0.13 -2.58 115.31 123.44 2a9h h LEU 46 Ca 0.12 -0.13 -0.14 0.00 0.84 0.00 0.00 57.88 58.57 2a9h h LEU 46 Cb 0.44 -0.10 0.00 0.00 0.37 0.00 0.00 40.66 41.37 2a9h h LEU 46 CO 0.02 0.42 -0.44 0.00 -0.34 0.00 0.00 178.44 178.10 2a9h h ALA 47 N 0.99 0.26 -0.28 1.25 0.00 -0.06 -3.30 119.26 118.13 2a9h h ALA 47 Ca 0.10 -0.47 0.05 0.00 0.00 0.00 0.00 54.91 54.59 2a9h h ALA 47 Cb 0.13 -0.03 -0.08 0.00 0.00 0.00 0.00 17.79 17.81 2a9h h ALA 47 CO -0.01 0.39 -0.47 0.28 0.00 0.00 0.00 179.25 179.44 2a9h h VAL 48 N 0.21 0.08 -1.16 0.00 2.07 -0.86 0.90 116.25 117.49 2a9h h VAL 48 Ca -0.01 0.00 0.33 0.00 0.82 0.00 0.00 66.70 67.84 2a9h h VAL 48 Cb 1.05 0.08 -0.06 0.00 -1.52 0.00 0.00 31.29 30.85 2a9h h VAL 48 CO 0.09 0.00 0.82 0.17 0.02 0.00 0.00 177.57 178.67 2a9h h LEU 49 N -0.44 0.08 0.00 2.57 8.10 -1.55 0.72 115.31 124.79 2a9h h LEU 49 Ca 0.09 0.02 0.00 0.00 0.11 0.00 0.00 57.88 58.10 2a9h h LEU 49 Cb 0.62 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.84 2a9h h LEU 49 CO -0.50 0.01 -0.09 0.00 -4.11 0.00 0.00 178.44 173.75 2a9h h ALA 50 N 1.45 0.00 -1.15 0.17 0.00 -0.64 -3.39 119.26 115.70 2a9h h ALA 50 Ca 0.57 -0.25 0.33 0.00 0.00 0.00 0.00 54.91 55.56 2a9h h ALA 50 Cb 2.14 0.09 -0.06 0.00 0.00 0.00 0.00 17.79 19.96 2a9h h ALA 50 CO -0.06 0.09 0.81 0.93 0.00 0.00 0.00 179.25 181.01 2a9h h GLU 51 N -0.21 0.08 -0.72 0.00 4.39 0.82 0.27 114.58 119.20 2a9h h GLU 51 Ca 0.00 -0.00 0.16 0.00 0.34 0.00 0.00 59.36 59.85 2a9h h GLU 51 Cb 0.09 -0.02 -0.11 0.00 -0.10 0.00 0.00 28.75 28.61 2a9h h GLU 51 CO 0.00 0.05 0.13 -0.09 -1.16 0.00 0.00 179.01 177.94 2a9h h ARG 52 N 0.08 0.22 -3.15 2.33 2.43 0.31 -3.26 114.38 113.33 2a9h h ARG 52 Ca 0.57 -0.01 -0.63 0.00 -0.81 0.00 0.00 59.98 59.10 2a9h h ARG 52 Cb 2.10 -0.05 -0.41 0.00 -0.42 0.00 0.00 29.97 31.19 2a9h h ARG 52 CO -0.07 0.14 -0.65 0.20 -1.51 0.00 0.00 179.97 178.08 2a9h s GLY 53 N -3.55 2.39 0.00 2.80 0.00 0.09 -4.92 107.32 104.12 2a9h s GLY 53 Ca -0.13 -3.28 0.00 0.00 0.00 0.00 0.00 44.72 41.31 2a9h s GLY 53 CO 0.75 1.20 0.00 0.00 0.00 0.00 0.00 173.10 175.05 2a9h n ALA 54 N 2.81 0.00 -0.98 3.20 0.00 -1.23 -4.96 120.51 119.34 2a9h n ALA 54 Ca 0.12 0.00 -0.29 0.00 0.00 0.00 0.00 53.44 53.26 2a9h n ALA 54 Cb 0.34 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.77 2a9h n ALA 54 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 2a9h n PRO 55 N -0.39 2.62 0.00 0.00 -0.04 -1.26 -4.43 135.00 131.49 2a9h n PRO 55 Ca 0.00 -1.76 0.00 0.00 -0.04 0.00 0.00 63.50 61.70 2a9h n PRO 55 Cb 0.00 -2.62 0.00 0.00 -0.04 0.00 0.00 33.50 30.84 2a9h n PRO 55 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2a9h n GLY 56 N 3.75 -0.12 0.00 0.55 0.00 -1.26 -4.71 105.19 103.40 2a9h n GLY 56 Ca 0.56 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.58 2a9h n GLY 56 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2a9h n ALA 57 N -1.31 0.00 0.01 4.61 0.00 -1.26 -4.11 120.51 118.45 2a9h n ALA 57 Ca 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.30 2a9h n ALA 57 Cb 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 19.45 19.31 2a9h n ALA 57 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2a9h h ALA 58 N 1.00 0.52 -1.02 0.00 0.00 -1.91 -3.46 119.26 114.39 2a9h h ALA 58 Ca 0.00 -1.32 -0.69 0.00 0.00 0.00 0.00 54.91 52.91 2a9h h ALA 58 Cb 0.00 0.45 -0.02 0.00 0.00 0.00 0.00 17.79 18.23 2a9h h ALA 58 CO 0.00 1.37 1.36 1.47 0.00 0.00 0.00 179.25 183.45 2a9h n LEU 59 N -3.29 2.03 -1.56 0.00 -0.00 -1.26 -4.77 117.00 108.14 2a9h n LEU 59 Ca -0.20 0.51 0.04 0.00 -0.00 0.00 0.00 56.01 56.36 2a9h n LEU 59 Cb 1.04 -1.21 0.03 0.00 -0.00 0.00 0.00 43.42 43.28 2a9h n LEU 59 CO 0.46 -0.70 0.07 2.30 -0.00 0.00 0.00 177.39 179.52 2a9h n ILE 60 N 6.87 0.20 -3.73 1.47 -5.35 -1.26 -4.05 119.36 113.52 2a9h n ILE 60 Ca 0.41 -1.26 -0.08 0.00 -0.27 0.00 0.00 62.75 61.55 2a9h n ILE 60 Cb 0.19 0.96 -0.02 0.00 -1.74 0.00 0.00 39.64 39.03 2a9h n ILE 60 CO 0.00 0.00 0.00 -0.44 -1.76 0.00 0.00 176.55 174.35 2a9h s SER 61 N -2.20 -0.34 -0.11 7.28 0.01 -1.26 -4.79 113.70 112.30 2a9h s SER 61 Ca 0.34 -0.41 -0.27 0.00 1.31 0.00 0.00 55.95 56.91 2a9h s SER 61 Cb 0.38 0.67 -0.26 0.00 0.21 0.00 0.00 66.02 67.02 2a9h s SER 61 CO -0.16 -1.19 0.86 1.88 0.41 0.00 0.00 173.24 175.05 2a9h h TYR 62 N 2.00 0.10 -1.02 2.43 0.05 -1.96 0.41 116.97 118.98 2a9h h TYR 62 Ca -0.23 -0.07 0.29 0.00 0.05 0.00 0.00 58.73 58.77 2a9h h TYR 62 Cb 1.26 -0.01 -0.04 0.00 1.01 0.00 0.00 36.73 38.96 2a9h h TYR 62 CO 0.37 0.99 0.84 -1.35 -1.05 0.00 0.00 178.16 177.96 2a9h h PRO 63 N -0.81 0.00 0.00 4.88 0.11 -1.99 0.46 132.00 134.65 2a9h h PRO 63 Ca -0.02 0.00 -0.41 0.00 0.11 0.00 0.00 66.00 65.68 2a9h h PRO 63 Cb 1.04 0.00 -0.07 0.00 0.11 0.00 0.00 31.00 32.08 2a9h h PRO 63 CO 0.03 0.00 -2.43 -0.25 -0.21 0.00 0.00 178.00 175.13 2a9h n ASP 64 N -3.90 1.95 -0.02 -2.05 9.92 -1.24 -4.36 116.55 116.85 2a9h n ASP 64 Ca 0.22 0.13 -0.10 0.00 -0.53 0.00 0.00 54.79 54.51 2a9h n ASP 64 Cb 1.18 -0.60 -0.04 0.00 -0.64 0.00 0.00 41.12 41.02 2a9h n ASP 64 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2a9h h ALA 65 N -0.54 0.17 -0.90 2.24 0.00 -0.13 -2.37 119.26 117.74 2a9h h ALA 65 Ca -0.61 0.02 0.22 0.00 0.00 0.00 0.00 54.91 54.53 2a9h h ALA 65 Cb 1.70 0.00 -0.12 0.00 0.00 0.00 0.00 17.79 19.37 2a9h h ALA 65 CO -0.27 -0.38 0.42 -0.07 0.00 0.00 0.00 179.25 178.95 2a9h h LEU 66 N 0.13 0.38 -1.01 0.00 3.38 -0.31 0.38 115.31 118.26 2a9h h LEU 66 Ca 0.07 0.15 -0.06 0.00 0.09 0.00 0.00 57.88 58.12 2a9h h LEU 66 Cb 0.04 0.11 -0.02 0.00 0.09 0.00 0.00 40.66 40.88 2a9h h LEU 66 CO -0.07 0.03 0.07 -0.25 0.09 0.00 0.00 178.44 178.30 2a9h h TRP 67 N 0.44 0.81 -0.56 1.13 2.91 -1.62 -2.38 115.95 116.68 2a9h h TRP 67 Ca 0.56 -0.09 -0.10 0.00 1.13 0.00 0.00 58.89 60.39 2a9h h TRP 67 Cb 1.05 -0.23 -0.02 0.00 -0.51 0.00 0.00 29.16 29.45 2a9h h TRP 67 CO -0.12 0.72 -0.03 2.35 -1.03 0.00 0.00 178.44 180.33 2a9h h TRP 68 N 0.74 1.12 -0.60 2.65 7.01 0.02 -2.90 115.95 123.99 2a9h h TRP 68 Ca 0.16 -0.21 -0.03 0.00 2.11 0.00 0.00 58.89 60.92 2a9h h TRP 68 Cb 0.36 -0.29 -0.03 0.00 -2.10 0.00 0.00 29.16 27.10 2a9h h TRP 68 CO 0.02 1.01 0.28 0.77 -2.79 0.00 0.00 178.44 177.73 2a9h h SER 69 N 0.90 0.80 -0.16 2.65 0.02 -0.89 -1.12 113.55 115.75 2a9h h SER 69 Ca 0.16 -0.14 0.04 0.00 -0.84 0.00 0.00 61.79 61.00 2a9h h SER 69 Cb 0.59 -0.20 -0.04 0.00 0.14 0.00 0.00 62.40 62.89 2a9h h SER 69 CO 0.04 0.72 -0.09 0.58 -1.14 0.00 0.00 176.83 176.93 2a9h h VAL 70 N 0.82 0.72 -0.25 2.27 2.07 -1.31 0.15 116.25 120.72 2a9h h VAL 70 Ca 0.20 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.71 2a9h h VAL 70 Cb 0.14 0.72 -0.01 0.00 -1.52 0.00 0.00 31.29 30.62 2a9h h VAL 70 CO -0.02 0.00 0.11 -0.33 0.02 0.00 0.00 177.57 177.34 2a9h h GLU 71 N -0.08 0.38 -0.29 1.57 4.39 -1.36 -2.20 114.58 116.98 2a9h h GLU 71 Ca 0.09 -0.06 0.02 0.00 0.34 0.00 0.00 59.36 59.75 2a9h h GLU 71 Cb 0.22 -0.06 -0.02 0.00 -0.10 0.00 0.00 28.75 28.79 2a9h h GLU 71 CO -0.21 0.40 0.20 1.15 -1.16 0.00 0.00 179.01 179.39 2a9h h THR 72 N 0.26 1.02 -0.01 1.13 2.02 -0.85 0.30 112.91 116.78 2a9h h THR 72 Ca 0.09 -0.11 -0.13 0.00 0.77 0.00 0.00 66.41 67.03 2a9h h THR 72 Cb 0.16 0.69 -0.02 0.00 -1.74 0.00 0.00 68.15 67.24 2a9h h THR 72 CO -0.01 0.06 -0.62 0.00 0.37 0.00 0.00 175.52 175.32 2a9h h ALA 73 N 1.83 0.95 -0.88 6.16 0.00 -0.27 -3.02 119.26 124.04 2a9h h ALA 73 Ca 0.12 -0.56 -0.44 0.00 0.00 0.00 0.00 54.91 54.03 2a9h h ALA 73 Cb 0.09 -0.10 -0.26 0.00 0.00 0.00 0.00 17.79 17.52 2a9h h ALA 73 CO -0.02 0.76 0.56 2.41 0.00 0.00 0.00 179.25 182.96 2a9h n THR 74 N -3.82 2.96 -2.91 0.00 -1.04 -0.40 -3.62 114.28 105.45 2a9h n THR 74 Ca -0.01 -1.70 -0.15 0.00 -2.04 0.00 0.00 64.05 60.14 2a9h n THR 74 Cb 0.62 -0.51 -0.01 0.00 -1.82 0.00 0.00 70.33 68.61 2a9h n THR 74 CO 0.00 0.00 0.00 0.35 -0.64 0.00 0.00 175.07 174.78 2a9h n THR 75 N -0.90 -0.60 0.00 12.58 -2.24 -1.06 -4.86 114.28 117.21 2a9h n THR 75 Ca 0.52 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 62.30 2a9h n THR 75 Cb 1.53 -1.36 0.00 0.00 -2.10 0.00 0.00 70.33 68.40 2a9h n THR 75 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02 2a9h n VAL 76 N -3.45 0.00 -3.19 2.28 0.31 0.92 -5.01 118.33 110.19 2a9h n VAL 76 Ca -0.05 0.28 -0.05 0.00 -0.01 0.00 0.00 64.34 64.51 2a9h n VAL 76 Cb 0.55 -1.06 0.00 0.00 -0.91 0.00 0.00 33.84 32.43 2a9h n VAL 76 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2a9h n GLY 77 N 2.08 -1.25 0.42 2.92 0.00 -1.20 -4.90 105.19 103.26 2a9h n GLY 77 Ca 0.00 0.49 -0.13 0.00 0.00 0.00 0.00 46.02 46.39 2a9h n GLY 77 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 2a9h h TYR 78 N 0.26 -1.36 0.00 1.61 -1.99 -1.93 -3.47 116.97 110.09 2a9h h TYR 78 Ca -0.13 0.06 0.00 0.00 2.00 0.00 0.00 58.73 60.66 2a9h h TYR 78 Cb 1.08 0.62 0.00 0.00 2.00 0.00 0.00 36.73 40.43 2a9h h TYR 78 CO 0.21 -0.49 0.00 0.41 -0.00 0.00 0.00 178.16 178.29 2a9h n GLY 79 N -1.43 1.29 0.50 3.88 0.00 -1.26 -4.98 105.19 103.19 2a9h n GLY 79 Ca -0.04 0.00 0.32 0.00 0.00 0.00 0.00 46.02 46.30 2a9h n GLY 79 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 2a9h h ASP 80 N 1.48 0.12 -3.75 1.61 2.03 -2.03 -3.32 116.42 112.55 2a9h h ASP 80 Ca 0.00 0.02 -0.66 0.00 -0.73 0.00 0.00 57.03 55.66 2a9h h ASP 80 Cb 0.00 0.01 -0.37 0.00 -0.83 0.00 0.00 39.33 38.14 2a9h h ASP 80 CO 0.00 0.01 -0.81 -0.76 -1.03 0.00 0.00 179.24 176.66 2a9h s LEU 81 N -8.70 3.21 -0.53 0.15 1.43 -1.26 -4.92 118.68 108.06 2a9h s LEU 81 Ca -0.06 -1.28 0.04 0.00 -1.03 0.00 0.00 54.13 51.79 2a9h s LEU 81 Cb 0.24 -1.51 0.13 0.00 0.03 0.00 0.00 46.19 45.08 2a9h s LEU 81 CO 0.80 -0.17 0.28 -0.72 0.23 0.00 0.00 176.35 176.78 2a9h s TYR 82 N 1.15 3.04 0.01 0.29 -0.85 -1.25 -4.96 117.35 114.76 2a9h s TYR 82 Ca -0.07 -3.08 -0.30 0.00 -0.52 0.00 0.00 57.07 53.10 2a9h s TYR 82 Cb -0.19 -2.66 -0.07 0.00 0.38 0.00 0.00 41.96 39.42 2a9h s TYR 82 CO -0.06 -0.73 1.61 -1.25 -1.52 0.00 0.00 175.55 173.61 2a9h s PRO 83 N -0.32 4.20 -0.23 -3.49 0.04 -1.26 -4.39 135.00 129.56 2a9h s PRO 83 Ca 0.18 2.21 0.02 0.00 0.04 0.00 0.00 61.00 63.45 2a9h s PRO 83 Cb -0.23 -3.76 -0.15 0.00 0.04 0.00 0.00 34.50 30.40 2a9h s PRO 83 CO -0.02 -0.75 -0.20 0.28 0.04 0.00 0.00 177.00 176.35 2a9h n VAL 84 N 5.03 1.30 -1.17 -0.36 0.31 -1.26 -4.35 118.33 117.84 2a9h n VAL 84 Ca 0.16 -0.49 -0.36 0.00 -0.01 0.00 0.00 64.34 63.64 2a9h n VAL 84 Cb 0.42 -1.31 0.07 0.00 -0.91 0.00 0.00 33.84 32.11 2a9h n VAL 84 CO 0.00 0.00 0.00 0.41 -1.32 0.00 0.00 176.83 175.92 2a9h n THR 85 N -3.18 1.30 0.30 2.52 -1.04 -1.26 -4.64 114.28 108.29 2a9h n THR 85 Ca -0.40 -0.37 -0.17 0.00 -2.04 0.00 0.00 64.05 61.06 2a9h n THR 85 Cb 0.93 -0.64 -0.09 0.00 -1.82 0.00 0.00 70.33 68.70 2a9h n THR 85 CO 0.00 0.00 0.00 0.25 -0.64 0.00 0.00 175.07 174.68 2a9h h LEU 86 N -0.58 -1.16 0.29 -4.42 5.85 -1.98 0.92 115.31 114.22 2a9h h LEU 86 Ca -0.45 0.09 0.00 0.00 0.84 0.00 0.00 57.88 58.36 2a9h h LEU 86 Cb 1.34 0.37 -0.03 0.00 0.37 0.00 0.00 40.66 42.71 2a9h h LEU 86 CO 0.40 -0.61 -0.44 -0.25 -0.34 0.00 0.00 178.44 177.20 2a9h h TRP 87 N -0.94 -1.21 -0.76 1.25 2.91 -1.96 0.53 115.95 115.76 2a9h h TRP 87 Ca -0.06 0.02 0.16 0.00 1.13 0.00 0.00 58.89 60.14 2a9h h TRP 87 Cb 0.80 0.49 -0.11 0.00 -0.51 0.00 0.00 29.16 29.84 2a9h h TRP 87 CO -0.19 -0.56 0.25 0.78 -1.03 0.00 0.00 178.44 177.69 2a9h h GLY 88 N -0.78 1.13 1.10 2.65 0.00 -1.79 -0.40 103.07 104.98 2a9h h GLY 88 Ca -0.01 -0.10 -0.14 0.00 0.00 0.00 0.00 47.33 47.08 2a9h h GLY 88 CO -0.15 -0.17 -0.30 3.21 0.00 0.00 0.00 176.54 179.13 2a9h h ARG 89 N 0.35 0.93 -0.99 4.80 3.08 -0.30 -3.05 114.38 119.22 2a9h h ARG 89 Ca 0.43 -0.45 0.11 0.00 0.07 0.00 0.00 59.98 60.14 2a9h h ARG 89 Cb 0.72 -0.00 -0.08 0.00 0.08 0.00 0.00 29.97 30.69 2a9h h ARG 89 CO -0.47 1.11 0.62 0.00 -1.07 0.00 0.00 179.97 180.16 2a9h h VAL 91 N 1.01 1.22 -0.40 0.00 2.07 -1.17 -1.42 116.25 117.56 2a9h h VAL 91 Ca 0.48 -0.60 0.07 0.00 0.82 0.00 0.00 66.70 67.47 2a9h h VAL 91 Cb 0.42 0.41 -0.06 0.00 -1.52 0.00 0.00 31.29 30.53 2a9h h VAL 91 CO -0.25 0.25 0.02 0.00 0.02 0.00 0.00 177.57 177.62 2a9h h ALA 92 N 1.15 0.39 -0.48 1.67 0.00 -1.21 0.42 119.26 121.20 2a9h h ALA 92 Ca 0.23 0.11 -0.08 0.00 0.00 0.00 0.00 54.91 55.16 2a9h h ALA 92 Cb 0.10 0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.04 2a9h h ALA 92 CO -0.03 -0.37 -0.02 0.28 0.00 0.00 0.00 179.25 179.10 2a9h h VAL 93 N 0.14 1.27 -0.62 0.00 2.07 -1.29 0.63 116.25 118.43 2a9h h VAL 93 Ca 0.20 -1.11 -0.04 0.00 0.82 0.00 0.00 66.70 66.57 2a9h h VAL 93 Cb 0.27 1.02 -0.03 0.00 -1.52 0.00 0.00 31.29 31.03 2a9h h VAL 93 CO -0.31 0.39 0.24 0.58 0.02 0.00 0.00 177.57 178.49 2a9h h VAL 94 N 0.72 1.23 -0.02 2.57 2.07 -0.56 -2.04 116.25 120.23 2a9h h VAL 94 Ca 0.13 -0.74 -0.15 0.00 0.82 0.00 0.00 66.70 66.76 2a9h h VAL 94 Cb 0.55 0.55 -0.02 0.00 -1.52 0.00 0.00 31.29 30.85 2a9h h VAL 94 CO 0.03 0.29 -0.70 1.62 0.02 0.00 0.00 177.57 178.83 2a9h h VAL 95 N 0.87 1.46 0.13 2.57 3.04 -0.09 -2.87 116.25 121.36 2a9h h VAL 95 Ca 0.21 -2.29 -0.01 0.00 -1.01 0.00 0.00 66.70 63.61 2a9h h VAL 95 Cb 0.22 2.22 0.00 0.00 -2.01 0.00 0.00 31.29 31.72 2a9h h VAL 95 CO -0.02 0.66 -0.06 0.24 -1.01 0.00 0.00 177.57 177.38 2a9h h MET 96 N 0.07 -0.17 -0.80 4.17 2.07 -0.56 0.16 114.93 119.88 2a9h h MET 96 Ca -0.01 0.01 -0.00 0.00 -2.07 0.00 0.00 59.70 57.62 2a9h h MET 96 Cb 1.23 0.04 -0.04 0.00 -1.87 0.00 0.00 31.60 30.96 2a9h h MET 96 CO 0.10 0.05 0.48 -0.39 1.07 0.00 0.00 176.91 178.21 2a9h h VAL 97 N -0.36 1.22 -0.16 -2.22 -1.51 -1.43 -0.44 116.25 111.35 2a9h h VAL 97 Ca -0.02 -0.49 -0.05 0.00 -1.23 0.00 0.00 66.70 64.91 2a9h h VAL 97 Cb 0.29 0.10 -0.00 0.00 -2.13 0.00 0.00 31.29 29.54 2a9h h VAL 97 CO 0.03 0.23 -0.11 0.00 -1.23 0.00 0.00 177.57 176.49 2a9h h ALA 98 N 1.43 0.23 -0.63 5.19 0.00 -1.35 -0.84 119.26 123.29 2a9h h ALA 98 Ca 0.29 -0.30 -0.03 0.00 0.00 0.00 0.00 54.91 54.87 2a9h h ALA 98 Cb -0.04 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 17.67 2a9h h ALA 98 CO -0.05 0.08 0.28 0.78 0.00 0.00 0.00 179.25 180.34 2a9h h GLY 99 N 0.02 0.99 0.91 0.00 0.00 -0.41 -1.83 103.07 102.75 2a9h h GLY 99 Ca 0.03 -0.51 -0.09 0.00 0.00 0.00 0.00 47.33 46.76 2a9h h GLY 99 CO 0.03 0.48 -0.17 -2.22 0.00 0.00 0.00 176.54 174.67 2a9h h ILE 100 N 0.87 1.30 -0.30 2.60 2.04 -1.10 -1.89 117.51 121.04 2a9h h ILE 100 Ca 0.21 -1.28 0.04 0.00 1.00 0.00 0.00 64.86 64.83 2a9h h ILE 100 Cb 0.15 1.51 -0.04 0.00 -0.74 0.00 0.00 36.82 37.71 2a9h h ILE 100 CO -0.02 0.41 0.08 0.74 0.00 0.00 0.00 178.15 179.35 2a9h h THR 101 N 0.37 0.89 -0.71 -0.27 2.02 -1.02 0.82 112.91 115.00 2a9h h THR 101 Ca 0.06 -0.07 -0.05 0.00 0.77 0.00 0.00 66.41 67.13 2a9h h THR 101 Cb 0.70 0.67 -0.03 0.00 -1.74 0.00 0.00 68.15 67.75 2a9h h THR 101 CO 0.05 0.04 0.26 0.28 0.37 0.00 0.00 175.52 176.51 2a9h h SER 102 N 0.20 1.01 -0.06 4.18 0.02 -1.32 -2.40 113.55 115.18 2a9h h SER 102 Ca 0.13 -0.19 -0.16 0.00 -0.84 0.00 0.00 61.79 60.74 2a9h h SER 102 Cb 0.13 -0.26 -0.01 0.00 0.14 0.00 0.00 62.40 62.40 2a9h h SER 102 CO -0.16 0.92 -0.50 1.88 -1.14 0.00 0.00 176.83 177.83 2a9h h TYR 103 N 1.03 0.77 0.10 3.45 0.05 -0.78 -3.24 116.97 118.35 2a9h h TYR 103 Ca 0.23 -0.26 -0.00 0.00 0.05 0.00 0.00 58.73 58.75 2a9h h TYR 103 Cb 0.25 -0.15 -0.00 0.00 1.01 0.00 0.00 36.73 37.84 2a9h h TYR 103 CO 0.02 1.00 -0.06 0.78 -1.05 0.00 0.00 178.16 178.85 2a9h h GLY 104 N 1.00 -0.15 0.13 3.88 0.00 0.93 -2.21 103.07 106.64 2a9h h GLY 104 Ca 0.02 0.06 0.24 0.00 0.00 0.00 0.00 47.33 47.65 2a9h h GLY 104 CO 0.10 -0.06 0.64 1.41 0.00 0.00 0.00 176.54 178.63 2a9h h LEU 105 N -0.15 0.34 -0.25 3.11 4.07 -1.47 0.97 115.31 121.92 2a9h h LEU 105 Ca -0.01 0.04 -0.12 0.00 0.08 0.00 0.00 57.88 57.87 2a9h h LEU 105 Cb 0.12 -0.01 -0.00 0.00 1.08 0.00 0.00 40.66 41.85 2a9h h LEU 105 CO 0.01 0.11 -0.32 0.58 -1.08 0.00 0.00 178.44 177.74 2a9h h VAL 106 N 0.32 1.31 -0.79 1.22 2.07 -1.45 0.30 116.25 119.23 2a9h h VAL 106 Ca 0.50 -1.51 -0.03 0.00 0.82 0.00 0.00 66.70 66.48 2a9h h VAL 106 Cb 1.40 1.70 -0.04 0.00 -1.52 0.00 0.00 31.29 32.84 2a9h h VAL 106 CO -0.18 0.48 0.38 -0.26 0.02 0.00 0.00 177.57 178.01 2a9h h PHE 107 N 0.38 1.15 0.09 1.57 -1.00 -0.31 -2.54 116.94 116.28 2a9h h PHE 107 Ca 0.03 -0.06 -0.25 0.00 2.81 0.00 0.00 57.97 60.50 2a9h h PHE 107 Cb 0.90 -0.35 0.00 0.00 3.61 0.00 0.00 35.95 40.11 2a9h h PHE 107 CO 0.08 0.83 -1.14 0.00 -1.61 0.00 0.00 178.31 176.48 2a9h h ALA 108 N 1.20 0.20 -0.53 2.45 0.00 -1.19 -3.25 119.26 118.14 2a9h h ALA 108 Ca 0.27 -0.84 0.07 0.00 0.00 0.00 0.00 54.91 54.42 2a9h h ALA 108 Cb 0.12 -0.02 -0.06 0.00 0.00 0.00 0.00 17.79 17.83 2a9h h ALA 108 CO -0.03 0.96 0.19 0.00 0.00 0.00 0.00 179.25 180.37 2a9h h ALA 109 N 0.67 0.66 -0.36 0.00 0.00 -0.14 -0.94 119.26 119.15 2a9h h ALA 109 Ca -0.11 0.07 -0.05 0.00 0.00 0.00 0.00 54.91 54.82 2a9h h ALA 109 Cb 1.84 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 19.66 2a9h h ALA 109 CO 0.19 -0.20 0.02 -0.39 0.00 0.00 0.00 179.25 178.86 2a9h h VAL 110 N 0.37 1.20 -0.37 0.00 -1.51 -1.55 -2.70 116.25 111.70 2a9h h VAL 110 Ca 0.26 -0.78 -0.02 0.00 -1.23 0.00 0.00 66.70 64.93 2a9h h VAL 110 Cb 0.28 0.91 -0.02 0.00 -2.13 0.00 0.00 31.29 30.34 2a9h h VAL 110 CO -0.26 0.27 0.17 0.00 -1.23 0.00 0.00 177.57 176.52 2a9h h ALA 111 N 1.49 0.48 -0.18 5.19 0.00 -1.23 0.42 119.26 125.42 2a9h h ALA 111 Ca 0.12 -0.11 0.01 0.00 0.00 0.00 0.00 54.91 54.92 2a9h h ALA 111 Cb 0.32 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 2a9h h ALA 111 CO 0.01 0.05 0.10 1.15 0.00 0.00 0.00 179.25 180.56 2a9h h THR 112 N 0.46 1.01 -0.05 0.00 2.02 -1.09 -2.16 112.91 113.10 2a9h h THR 112 Ca 0.13 -0.07 -0.12 0.00 0.77 0.00 0.00 66.41 67.12 2a9h h THR 112 Cb 0.14 0.78 -0.01 0.00 -1.74 0.00 0.00 68.15 67.31 2a9h h THR 112 CO -0.01 0.04 -0.50 -0.25 0.37 0.00 0.00 175.52 175.16 2a9h h TRP 113 N 0.21 0.17 -0.14 3.16 7.01 -1.35 -2.89 115.95 122.11 2a9h h TRP 113 Ca 0.07 -0.05 -0.02 0.00 2.11 0.00 0.00 58.89 60.99 2a9h h TRP 113 Cb 0.00 -0.03 -0.01 0.00 -2.10 0.00 0.00 29.16 27.02 2a9h h TRP 113 CO -0.08 0.61 -0.02 0.74 -2.79 0.00 0.00 178.44 176.90 2a9h h PHE 114 N 0.11 0.20 -0.01 2.65 -1.00 0.32 -1.95 116.94 117.26 2a9h h PHE 114 Ca 0.00 -0.01 -0.15 0.00 2.81 0.00 0.00 57.97 60.62 2a9h h PHE 114 Cb 0.93 -0.06 -0.02 0.00 3.61 0.00 0.00 35.95 40.41 2a9h h PHE 114 CO 0.01 0.24 -0.69 0.28 -1.61 0.00 0.00 178.31 176.54 2a9h h VAL 115 N 0.20 1.48 -0.63 -0.55 2.07 -1.19 -3.31 116.25 114.33 2a9h h VAL 115 Ca 0.05 -2.33 -0.57 0.00 0.82 0.00 0.00 66.70 64.67 2a9h h VAL 115 Cb 0.18 2.25 -0.09 0.00 -1.52 0.00 0.00 31.29 32.12 2a9h h VAL 115 CO 0.01 0.67 1.84 0.61 0.02 0.00 0.00 177.57 180.71 2a9h n GLY 116 N 0.46 4.37 3.03 2.17 0.00 -0.73 -4.59 105.19 109.89 2a9h n GLY 116 Ca -0.01 -1.72 0.02 0.00 0.00 0.00 0.00 46.02 44.30 2a9h n GLY 116 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2a9h s ARG 117 N -0.03 0.52 -0.19 1.61 3.00 -1.25 -5.02 118.95 117.60 2a9h s ARG 117 Ca 0.62 -0.13 0.14 0.00 -1.00 0.00 0.00 55.73 55.36 2a9h s ARG 117 Cb 0.25 0.07 -0.23 0.00 0.00 0.00 0.00 34.95 35.04 2a9h s ARG 117 CO -0.10 -0.77 0.09 -0.85 0.00 0.00 0.00 175.30 173.67 2a9h n GLU 118 N 4.18 0.68 0.00 5.12 0.00 -1.26 -5.07 120.64 124.29 2a9h n GLU 118 Ca 0.08 0.06 0.01 0.00 0.00 0.00 0.00 57.16 57.31 2a9h n GLU 118 Cb 0.59 -1.55 0.04 0.00 0.00 0.00 0.00 31.44 30.52 2a9h n GLU 118 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13