#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 -0.01 0.00 7.94 -1.26 -4.95 117.00 118.72 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 0.03 0.60 0.00 0.53 0.00 0.00 43.42 44.58 2a9h n LEU 24 CO 0.00 -0.03 1.17 1.12 -1.11 0.00 0.00 177.39 178.54 2a9h h HIS 25 N 0.00 0.20 0.10 1.96 2.07 -1.98 0.48 115.15 117.98 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 -0.06 0.00 0.00 2.57 0.00 0.00 27.41 29.92 2a9h h HIS 25 CO 0.00 0.09 -0.05 2.35 -3.07 0.00 0.00 177.93 177.25 2a9h h TRP 26 N 0.18 -0.12 -0.08 6.12 -0.00 -1.92 -3.05 115.95 117.08 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 29.86 2a9h h TRP 26 CO -0.00 -0.08 -0.14 -0.09 -0.00 0.00 0.00 178.44 178.13 2a9h h ARG 27 N -0.65 -0.19 -0.83 2.65 9.65 -1.90 0.84 114.38 123.95 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 28.60 2a9h h ARG 27 CO 0.02 -0.13 0.29 0.00 2.80 0.00 0.00 179.97 182.95 2a9h h ALA 28 N 0.82 1.21 -0.18 2.80 0.00 -0.21 0.41 119.26 124.10 2a9h h ALA 28 Ca 0.07 0.17 -0.10 0.00 0.00 0.00 0.00 54.91 55.05 2a9h h ALA 28 Cb 0.30 0.19 -0.00 0.00 0.00 0.00 0.00 17.79 18.29 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 -1.41 119.26 117.74 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 0.89 -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 0.00 179.25 180.18 2a9h h GLY 30 N 0.17 1.22 1.39 0.00 0.00 0.72 -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 46.55 2a9h h GLY 30 CO 0.07 0.56 -0.79 0.00 0.00 0.00 0.00 176.54 176.38 2a9h h ALA 31 N 1.30 0.42 -1.01 3.60 0.00 -0.28 -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 54.80 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 -0.70 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 19.14 2a9h h ALA 32 CO 0.15 -0.24 0.46 1.15 0.00 0.00 0.00 179.25 180.77 2a9h h THR 33 N 0.61 0.95 -0.29 0.00 2.02 -1.55 -1.97 112.91 112.69 2a9h h THR 33 Ca 0.63 -0.21 -0.00 0.00 0.77 0.00 0.00 66.41 67.60 2a9h h THR 33 Cb 1.18 0.28 -0.01 0.00 -1.74 0.00 0.00 68.15 67.86 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 -2.45 116.25 120.56 2a9h h VAL 34 Ca 0.32 -0.29 0.01 0.00 0.82 0.00 0.00 66.70 67.55 2a9h h VAL 34 Cb 0.42 0.79 -0.04 0.00 -1.52 0.00 0.00 31.29 30.94 2a9h h VAL 34 CO -0.11 0.12 -0.51 -0.07 0.02 0.00 0.00 177.57 177.02 2a9h h LEU 35 N 0.36 -1.50 -1.15 2.57 3.38 -1.30 -0.43 115.31 117.24 2a9h h LEU 35 Ca 0.10 0.15 0.21 0.00 0.09 0.00 0.00 57.88 58.43 2a9h h LEU 35 Cb 0.04 0.54 -0.10 0.00 0.09 0.00 0.00 40.66 41.24 2a9h h LEU 35 CO -0.02 -0.57 0.62 0.25 0.09 0.00 0.00 178.44 178.81 2a9h h LEU 36 N -0.79 0.66 -0.26 1.67 6.46 -1.49 -0.09 115.31 121.47 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 0.77 -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 -0.77 -1.31 116.25 119.70 2a9h h VAL 37 Ca 0.57 -0.55 -0.03 0.00 0.82 0.00 0.00 66.70 67.51 2a9h h VAL 37 Cb 1.07 1.06 0.01 0.00 -1.52 0.00 0.00 31.29 31.90 2a9h h VAL 37 CO -0.34 0.18 -0.29 0.40 0.02 0.00 0.00 177.57 177.54 2a9h h ILE 38 N 0.26 0.00 -1.07 4.57 2.04 0.51 -2.93 117.51 120.90 2a9h h ILE 38 Ca 0.09 -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 0.00 178.15 179.46 2a9h h VAL 39 N -0.97 0.48 0.52 1.67 2.07 -1.19 -1.34 116.25 117.49 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 30.72 2a9h h VAL 39 CO 0.14 0.03 -0.29 -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 1.86 0.20 -0.02 0.00 0.09 0.00 0.00 40.66 42.78 2a9h h LEU 40 CO -0.12 -0.46 -0.23 -0.07 0.09 0.00 0.00 178.44 177.65 2a9h h LEU 41 N -0.74 -0.62 -0.14 1.67 4.07 -1.19 -1.61 115.31 116.74 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 0.22 -0.05 0.00 1.08 0.00 0.00 40.66 42.49 2a9h h LEU 41 CO 0.09 -0.34 -0.40 0.00 -1.08 0.00 0.00 178.44 176.72 2a9h h ALA 42 N 0.22 -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 0.46 0.92 -0.10 0.00 0.00 0.00 0.00 17.79 19.06 2a9h h ALA 42 CO -0.07 -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 0.23 0.05 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 -0.41 0.68 -0.30 3.45 -1.99 -0.54 0.34 116.97 118.20 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 0.39 -0.16 3.88 5.85 0.13 -2.58 115.31 123.44 2a9h h LEU 46 Ca 0.12 -0.13 -0.13 0.00 0.84 0.00 0.00 57.88 58.57 2a9h h LEU 46 Cb 0.43 -0.10 0.00 0.00 0.37 0.00 0.00 40.66 41.36 2a9h h LEU 46 CO 0.02 0.42 -0.43 0.00 -0.34 0.00 0.00 178.44 178.11 2a9h h ALA 47 N 0.99 0.26 -0.28 1.25 0.00 -0.06 -3.30 119.26 118.14 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 0.00 179.25 179.43 2a9h h VAL 48 N 0.21 0.08 -1.16 0.00 2.07 -0.86 0.90 116.25 117.48 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 30.84 2a9h h VAL 48 CO 0.09 0.00 0.82 0.17 0.02 0.00 0.00 177.57 178.68 2a9h h LEU 49 N -0.44 0.08 0.00 2.57 8.10 -1.55 0.71 115.31 124.79 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 0.01 0.00 0.00 -0.44 0.00 0.00 40.66 40.85 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 2.15 0.09 -0.06 0.00 0.00 0.00 0.00 17.79 19.97 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 -0.73 0.00 4.39 0.82 0.34 114.58 119.25 2a9h h GLU 51 Ca 0.00 -0.00 0.16 0.00 0.34 0.00 0.00 59.36 59.86 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 0.14 -0.09 -1.16 0.00 0.00 179.01 177.95 2a9h h ARG 52 N 0.08 0.22 -1.44 2.33 2.43 0.51 -1.01 114.38 117.50 2a9h h ARG 52 Ca 0.57 -0.01 -0.69 0.00 -0.81 0.00 0.00 59.98 59.04 2a9h h ARG 52 Cb 2.10 -0.05 -0.32 0.00 -0.42 0.00 0.00 29.97 31.28 2a9h h ARG 52 CO -0.07 0.15 0.52 0.41 -1.51 0.00 0.00 179.97 179.46 2a9h n GLY 53 N -1.36 5.82 2.61 2.80 0.00 0.11 -4.79 105.19 110.37 2a9h n GLY 53 Ca 0.14 -2.49 -0.20 0.00 0.00 0.00 0.00 46.02 43.47 2a9h n GLY 53 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2a9h s ALA 54 N -3.86 0.12 -0.64 4.61 0.00 -0.38 -5.07 121.76 116.54 2a9h s ALA 54 Ca 0.56 -1.48 -0.32 0.00 0.00 0.00 0.00 51.96 50.72 2a9h s ALA 54 Cb 0.45 -1.92 -0.14 0.00 0.00 0.00 0.00 23.12 21.51 2a9h s ALA 54 CO -0.19 -2.11 2.44 -2.30 0.00 0.00 0.00 175.76 173.60 2a9h n PRO 55 N 3.68 0.60 0.00 0.00 -0.02 -1.26 -3.64 135.00 134.36 2a9h n PRO 55 Ca 0.17 0.08 0.00 0.00 -2.02 0.00 0.00 63.50 61.73 2a9h n PRO 55 Cb 0.46 -2.33 0.00 0.00 -0.02 0.00 0.00 33.50 31.60 2a9h n PRO 55 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2a9h n GLY 56 N 6.44 0.32 3.57 -1.23 0.00 -1.26 -5.08 105.19 107.94 2a9h n GLY 56 Ca 0.50 -0.02 -0.25 0.00 0.00 0.00 0.00 46.02 46.25 2a9h n GLY 56 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2a9h s ALA 57 N 0.00 2.96 -0.71 4.61 0.00 -1.24 -4.92 121.76 122.46 2a9h s ALA 57 Ca 0.00 -1.65 -0.03 0.00 0.00 0.00 0.00 51.96 50.28 2a9h s ALA 57 Cb 0.00 -0.61 0.22 0.00 0.00 0.00 0.00 23.12 22.73 2a9h s ALA 57 CO 0.00 0.34 2.34 0.00 0.00 0.00 0.00 175.76 178.44 2a9h n ALA 58 N -0.48 6.49 -2.99 0.00 0.00 -1.26 -4.66 120.51 117.61 2a9h n ALA 58 Ca -0.08 -3.70 -0.26 0.00 0.00 0.00 0.00 53.44 49.41 2a9h n ALA 58 Cb 0.58 -2.10 -0.04 0.00 0.00 0.00 0.00 19.45 17.89 2a9h n ALA 58 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2a9h n LEU 59 N 0.16 3.97 -0.10 0.00 4.77 -1.26 -4.71 117.00 119.84 2a9h n LEU 59 Ca 0.52 -5.59 -0.11 0.00 -0.03 0.00 0.00 56.01 50.80 2a9h n LEU 59 Cb 0.37 -0.39 -0.15 0.00 -2.33 0.00 0.00 43.42 40.92 2a9h n LEU 59 CO 0.44 2.34 -1.16 2.30 -1.33 0.00 0.00 177.39 179.99 2a9h n ILE 60 N -0.15 1.36 -4.28 -0.08 -5.35 -1.26 -3.10 119.36 106.50 2a9h n ILE 60 Ca 0.30 -0.80 -0.32 0.00 -0.27 0.00 0.00 62.75 61.66 2a9h n ILE 60 Cb 0.43 -0.57 -0.09 0.00 -1.74 0.00 0.00 39.64 37.66 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 -5.52 4.92 0.07 7.28 0.01 -1.26 -4.68 113.70 114.51 2a9h s SER 61 Ca -0.12 -0.11 -0.21 0.00 1.31 0.00 0.00 55.95 56.82 2a9h s SER 61 Cb 0.06 -1.20 -0.11 0.00 0.21 0.00 0.00 66.02 64.98 2a9h s SER 61 CO 0.78 0.24 1.52 1.88 0.41 0.00 0.00 173.24 178.07 2a9h h TYR 62 N 4.08 0.31 -1.22 2.43 0.05 -1.93 0.16 116.97 120.86 2a9h h TYR 62 Ca -0.48 -0.05 0.35 0.00 0.05 0.00 0.00 58.73 58.60 2a9h h TYR 62 Cb 1.17 -0.08 -0.05 0.00 1.01 0.00 0.00 36.73 38.78 2a9h h TYR 62 CO 0.60 0.48 0.94 -1.35 -1.05 0.00 0.00 178.16 177.78 2a9h h PRO 63 N 0.06 0.00 0.02 4.88 0.11 -1.99 0.48 132.00 135.56 2a9h h PRO 63 Ca 0.05 0.00 -0.38 0.00 0.11 0.00 0.00 66.00 65.78 2a9h h PRO 63 Cb 0.34 0.00 -0.05 0.00 0.11 0.00 0.00 31.00 31.40 2a9h h PRO 63 CO 0.01 0.00 -2.19 -0.25 -0.21 0.00 0.00 178.00 175.35 2a9h n ASP 64 N -4.00 1.97 -0.02 -2.05 9.92 -1.11 -4.24 116.55 117.02 2a9h n ASP 64 Ca 0.27 0.21 -0.10 0.00 -0.53 0.00 0.00 54.79 54.64 2a9h n ASP 64 Cb 1.34 -0.75 -0.04 0.00 -0.64 0.00 0.00 41.12 41.03 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 -0.47 0.17 -0.90 2.24 0.00 0.25 -2.37 119.26 118.18 2a9h h ALA 65 Ca -0.56 0.02 0.22 0.00 0.00 0.00 0.00 54.91 54.58 2a9h h ALA 65 Cb 1.69 0.00 -0.12 0.00 0.00 0.00 0.00 17.79 19.37 2a9h h ALA 65 CO -0.22 -0.38 0.42 -0.07 0.00 0.00 0.00 179.25 179.00 2a9h h LEU 66 N 0.13 0.39 -1.00 0.00 3.38 -0.31 0.38 115.31 118.27 2a9h h LEU 66 Ca 0.07 0.15 -0.06 0.00 0.09 0.00 0.00 57.88 58.13 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 0.00 178.44 178.31 2a9h h TRP 67 N 0.44 0.82 -0.56 1.13 2.91 -1.61 -2.38 115.95 116.70 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 -0.24 -0.02 0.00 -0.51 0.00 0.00 29.16 29.44 2a9h h TRP 67 CO -0.12 0.72 -0.04 2.35 -1.03 0.00 0.00 178.44 180.33 2a9h h TRP 68 N 0.75 1.12 -0.60 2.65 7.01 0.01 -2.90 115.95 124.00 2a9h h TRP 68 Ca 0.16 -0.21 -0.03 0.00 2.11 0.00 0.00 58.89 60.93 2a9h h TRP 68 Cb 0.35 -0.29 -0.03 0.00 -2.10 0.00 0.00 29.16 27.10 2a9h h TRP 68 CO 0.02 1.02 0.27 0.77 -2.79 0.00 0.00 178.44 177.73 2a9h h SER 69 N 0.90 0.79 -0.15 2.65 0.02 -0.90 -1.13 113.55 115.74 2a9h h SER 69 Ca 0.15 -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 0.71 -0.09 0.58 -1.14 0.00 0.00 176.83 176.93 2a9h h VAL 70 N 0.82 0.73 -0.25 2.27 2.07 -1.31 0.14 116.25 120.72 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 0.73 -0.01 0.00 -1.52 0.00 0.00 31.29 30.63 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 0.37 -0.30 1.57 4.39 -1.36 -2.22 114.58 116.95 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 0.21 -0.06 -0.02 0.00 -0.10 0.00 0.00 28.75 28.78 2a9h h GLU 71 CO -0.21 0.39 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 -0.86 0.29 112.91 116.76 2a9h h THR 72 Ca 0.08 -0.11 -0.13 0.00 0.77 0.00 0.00 66.41 67.02 2a9h h THR 72 Cb 0.16 0.68 -0.02 0.00 -1.74 0.00 0.00 68.15 67.23 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 -0.90 6.16 0.00 -0.27 -3.02 119.26 124.00 2a9h h ALA 73 Ca 0.12 -0.56 -0.47 0.00 0.00 0.00 0.00 54.91 54.00 2a9h h ALA 73 Cb 0.10 -0.10 -0.28 0.00 0.00 0.00 0.00 17.79 17.52 2a9h h ALA 73 CO -0.03 0.77 0.59 2.41 0.00 0.00 0.00 179.25 182.99 2a9h n THR 74 N -3.81 3.00 -2.91 0.00 -1.04 -0.39 -3.62 114.28 105.51 2a9h n THR 74 Ca -0.01 -1.74 -0.15 0.00 -2.04 0.00 0.00 64.05 60.10 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 -0.97 -0.60 0.00 12.58 -2.24 -1.06 -4.86 114.28 117.13 2a9h n THR 75 Ca 0.54 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 62.32 2a9h n THR 75 Cb 1.57 -1.36 0.00 0.00 -2.10 0.00 0.00 70.33 68.44 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 -3.17 2.28 0.31 0.90 -5.01 118.33 110.20 2a9h n VAL 76 Ca -0.05 0.26 -0.04 0.00 -0.01 0.00 0.00 64.34 64.50 2a9h n VAL 76 Cb 0.55 -1.03 0.00 0.00 -0.91 0.00 0.00 33.84 32.45 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 2.10 -1.25 0.37 2.92 0.00 -1.20 -4.91 105.19 103.23 2a9h n GLY 77 Ca 0.00 0.51 -0.12 0.00 0.00 0.00 0.00 46.02 46.41 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 0.38 -1.28 0.00 1.61 -1.99 -1.92 -3.47 116.97 110.30 2a9h h TYR 78 Ca -0.10 0.05 0.00 0.00 2.00 0.00 0.00 58.73 60.68 2a9h h TYR 78 Cb 1.06 0.57 0.00 0.00 2.00 0.00 0.00 36.73 40.37 2a9h h TYR 78 CO 0.20 -0.44 0.00 0.41 -0.00 0.00 0.00 178.16 178.33 2a9h n GLY 79 N -1.35 1.20 0.27 3.88 0.00 -1.26 -5.00 105.19 102.93 2a9h n GLY 79 Ca -0.05 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.03 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 1.32 -0.07 -3.62 1.61 2.03 -2.04 -3.33 116.42 112.31 2a9h h ASP 80 Ca 0.00 0.16 -0.69 0.00 -0.73 0.00 0.00 57.03 55.76 2a9h h ASP 80 Cb 0.00 0.23 -0.31 0.00 -0.83 0.00 0.00 39.33 38.42 2a9h h ASP 80 CO 0.00 -0.08 -0.60 -0.76 -1.03 0.00 0.00 179.24 176.77 2a9h s LEU 81 N -10.63 4.55 -0.55 0.15 1.43 -1.26 -4.78 118.68 107.59 2a9h s LEU 81 Ca -0.13 -1.46 0.04 0.00 -1.03 0.00 0.00 54.13 51.55 2a9h s LEU 81 Cb 0.22 -1.83 0.14 0.00 0.03 0.00 0.00 46.19 44.75 2a9h s LEU 81 CO 0.75 -0.39 0.30 -0.72 0.23 0.00 0.00 176.35 176.52 2a9h s TYR 82 N 1.29 3.24 0.10 0.29 1.13 -1.25 -4.94 117.35 117.21 2a9h s TYR 82 Ca 0.00 -3.20 -0.35 0.00 -1.41 0.00 0.00 57.07 52.11 2a9h s TYR 82 Cb -0.21 -2.81 -0.17 0.00 -1.10 0.00 0.00 41.96 37.67 2a9h s TYR 82 CO -0.00 -0.71 1.10 -2.30 -2.51 0.00 0.00 175.55 171.12 2a9h n PRO 83 N 2.94 0.66 -0.03 -3.49 -0.02 -1.26 -4.75 135.00 129.06 2a9h n PRO 83 Ca 0.07 0.24 -0.07 0.00 -2.02 0.00 0.00 63.50 61.72 2a9h n PRO 83 Cb 0.33 -1.71 -0.02 0.00 -0.02 0.00 0.00 33.50 32.07 2a9h n PRO 83 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 2a9h n VAL 84 N 1.55 0.61 -1.33 -1.45 0.31 -1.26 -4.55 118.33 112.21 2a9h n VAL 84 Ca 0.18 -0.01 -0.36 0.00 -0.01 0.00 0.00 64.34 64.14 2a9h n VAL 84 Cb 0.18 -1.65 0.08 0.00 -0.91 0.00 0.00 33.84 31.54 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 -3.43 2.42 -0.04 2.52 -1.04 -1.26 -4.58 114.28 108.86 2a9h n THR 85 Ca -0.13 -0.39 -0.13 0.00 -2.04 0.00 0.00 64.05 61.37 2a9h n THR 85 Cb 0.51 -0.95 -0.07 0.00 -1.82 0.00 0.00 70.33 68.00 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 -0.26 -1.50 0.28 -4.42 5.85 -1.98 0.28 115.31 113.56 2a9h h LEU 86 Ca -0.47 0.20 0.00 0.00 0.84 0.00 0.00 57.88 58.46 2a9h h LEU 86 Cb 1.34 0.61 -0.03 0.00 0.37 0.00 0.00 40.66 42.95 2a9h h LEU 86 CO 0.45 -0.43 -0.43 -0.25 -0.34 0.00 0.00 178.44 177.44 2a9h h TRP 87 N -0.48 -1.19 -0.76 1.25 2.91 -1.96 0.53 115.95 116.24 2a9h h TRP 87 Ca 0.08 0.02 0.16 0.00 1.13 0.00 0.00 58.89 60.28 2a9h h TRP 87 Cb 0.63 0.49 -0.10 0.00 -0.51 0.00 0.00 29.16 29.66 2a9h h TRP 87 CO -0.56 -0.56 0.26 0.78 -1.03 0.00 0.00 178.44 177.33 2a9h h GLY 88 N -0.77 1.14 1.10 2.65 0.00 -1.71 -0.39 103.07 105.09 2a9h h GLY 88 Ca -0.01 -0.10 -0.14 0.00 0.00 0.00 0.00 47.33 47.07 2a9h h GLY 88 CO -0.15 -0.16 -0.31 3.21 0.00 0.00 0.00 176.54 179.13 2a9h h ARG 89 N 0.36 0.94 -0.99 4.80 3.08 0.06 -3.05 114.38 119.59 2a9h h ARG 89 Ca 0.43 -0.46 0.11 0.00 0.07 0.00 0.00 59.98 60.13 2a9h h ARG 89 Cb 0.72 -0.00 -0.08 0.00 0.08 0.00 0.00 29.97 30.68 2a9h h ARG 89 CO -0.46 1.12 0.62 0.00 -1.07 0.00 0.00 179.97 180.17 2a9h h VAL 91 N 1.01 1.22 -0.40 0.00 2.07 -1.17 -1.41 116.25 117.56 2a9h h VAL 91 Ca 0.47 -0.59 0.07 0.00 0.82 0.00 0.00 66.70 67.48 2a9h h VAL 91 Cb 0.41 0.41 -0.06 0.00 -1.52 0.00 0.00 31.29 30.52 2a9h h VAL 91 CO -0.24 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 0.41 119.26 121.20 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 0.09 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 -0.03 0.28 0.00 0.00 0.00 179.25 179.10 2a9h h VAL 93 N 0.13 1.27 -0.62 0.00 2.07 -1.29 0.63 116.25 118.44 2a9h h VAL 93 Ca 0.20 -1.12 -0.04 0.00 0.82 0.00 0.00 66.70 66.56 2a9h h VAL 93 Cb 0.27 1.02 -0.03 0.00 -1.52 0.00 0.00 31.29 31.04 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 -0.57 -2.03 116.25 120.23 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 0.56 -0.02 0.00 -1.52 0.00 0.00 31.29 30.86 2a9h h VAL 94 CO 0.03 0.29 -0.69 1.62 0.02 0.00 0.00 177.57 178.84 2a9h h VAL 95 N 0.87 1.46 0.12 2.57 3.04 -0.09 -2.87 116.25 121.35 2a9h h VAL 95 Ca 0.21 -2.28 -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 -0.16 -0.80 4.17 2.07 -0.55 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 0.00 176.91 178.22 2a9h h VAL 97 N -0.36 1.22 -0.16 -2.22 -1.51 -1.42 -0.44 116.25 111.36 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 -1.36 -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 46.77 2a9h h GLY 99 CO 0.03 0.48 -0.16 -2.22 0.00 0.00 0.00 176.54 174.67 2a9h h ILE 100 N 0.87 1.30 -0.29 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 64.84 2a9h h ILE 100 Cb 0.15 1.50 -0.04 0.00 -0.74 0.00 0.00 36.82 37.70 2a9h h ILE 100 CO -0.02 0.41 0.07 0.74 0.00 0.00 0.00 178.15 179.35 2a9h h THR 101 N 0.36 0.88 -0.72 -0.27 2.02 -1.02 0.82 112.91 114.99 2a9h h THR 101 Ca 0.06 -0.06 -0.05 0.00 0.77 0.00 0.00 66.41 67.13 2a9h h THR 101 Cb 0.69 0.68 -0.03 0.00 -1.74 0.00 0.00 68.15 67.75 2a9h h THR 101 CO 0.05 0.03 0.26 0.28 0.37 0.00 0.00 175.52 176.51 2a9h h SER 102 N 0.19 1.01 -0.07 4.18 0.02 -1.32 -2.39 113.55 115.16 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 -0.49 1.88 -1.14 0.00 0.00 176.83 177.84 2a9h h TYR 103 N 1.04 0.78 0.10 3.45 0.05 -0.78 -3.24 116.97 118.36 2a9h h TYR 103 Ca 0.24 -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 37.83 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 0.99 -0.15 0.14 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 0.94 115.31 121.90 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 0.30 116.25 119.24 2a9h h VAL 106 Ca 0.50 -1.52 -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 32.83 2a9h h VAL 106 CO -0.17 0.48 0.38 -0.26 0.02 0.00 0.00 177.57 178.01 2a9h h PHE 107 N 0.37 1.14 0.09 1.57 -1.00 -0.31 -2.53 116.94 116.27 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 -3.25 119.26 118.15 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 -0.01 -0.06 0.00 0.00 0.00 0.00 17.79 17.83 2a9h h ALA 108 CO -0.03 0.95 0.19 0.00 0.00 0.00 0.00 179.25 180.36 2a9h h ALA 109 N 0.67 0.66 -0.36 0.00 0.00 -0.14 -0.95 119.26 119.15 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 19.65 2a9h h ALA 109 CO 0.19 -0.20 0.01 -0.39 0.00 0.00 0.00 179.25 178.85 2a9h h VAL 110 N 0.37 1.20 -0.36 0.00 -1.51 -1.55 -2.70 116.25 111.71 2a9h h VAL 110 Ca 0.26 -0.78 -0.01 0.00 -1.23 0.00 0.00 66.70 64.93 2a9h h VAL 110 Cb 0.28 0.92 -0.02 0.00 -2.13 0.00 0.00 31.29 30.35 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 0.47 -0.19 5.19 0.00 -1.24 0.42 119.26 125.41 2a9h h ALA 111 Ca 0.11 -0.11 0.01 0.00 0.00 0.00 0.00 54.91 54.92 2a9h h ALA 111 Cb 0.32 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 2a9h h ALA 111 CO 0.01 0.04 0.10 1.15 0.00 0.00 0.00 179.25 180.55 2a9h h THR 112 N 0.45 1.02 -0.05 0.00 2.02 -1.09 -2.16 112.91 113.09 2a9h h THR 112 Ca 0.12 -0.08 -0.12 0.00 0.77 0.00 0.00 66.41 67.11 2a9h h THR 112 Cb 0.13 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 0.22 0.17 -0.13 3.16 7.01 -1.35 -2.89 115.95 122.14 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 -0.04 -0.01 0.00 -2.10 0.00 0.00 29.16 27.02 2a9h h TRP 113 CO -0.08 0.62 -0.03 0.74 -2.79 0.00 0.00 178.44 176.89 2a9h h PHE 114 N 0.11 0.19 -0.01 2.65 -1.00 0.32 -1.95 116.94 117.25 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 0.23 -0.70 0.28 -1.61 0.00 0.00 178.31 176.52 2a9h h VAL 115 N 0.18 1.48 -0.87 -0.55 2.07 -1.19 -3.30 116.25 114.09 2a9h h VAL 115 Ca 0.04 -2.34 -0.51 0.00 0.82 0.00 0.00 66.70 64.71 2a9h h VAL 115 Cb 0.19 2.26 -0.14 0.00 -1.52 0.00 0.00 31.29 32.08 2a9h h VAL 115 CO 0.01 0.67 0.82 0.61 0.02 0.00 0.00 177.57 179.70 2a9h n GLY 116 N 0.47 4.30 1.08 2.17 0.00 -0.73 -3.85 105.19 108.63 2a9h n GLY 116 Ca -0.01 -1.79 -0.05 0.00 0.00 0.00 0.00 46.02 44.16 2a9h n GLY 116 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2a9h n ARG 117 N 1.42 0.12 -0.31 1.61 5.12 -1.24 -4.97 116.66 118.41 2a9h n ARG 117 Ca 0.52 -0.86 0.30 0.00 -1.93 0.00 0.00 57.85 55.88 2a9h n ARG 117 Cb 0.54 0.49 0.65 0.00 -1.16 0.00 0.00 32.46 32.97 2a9h n ARG 117 CO 0.00 0.00 0.00 1.05 -1.93 0.00 0.00 177.63 176.75 2a9h h GLU 118 N 0.09 0.16 -0.02 5.56 9.09 -1.81 -3.52 114.58 124.13 2a9h h GLU 118 Ca -0.47 -0.01 0.00 0.00 0.05 0.00 0.00 59.36 58.93 2a9h h GLU 118 Cb 1.26 -0.04 0.00 0.00 -1.65 0.00 0.00 28.75 28.33 2a9h h GLU 118 CO -0.23 0.10 0.00 0.00 0.05 0.00 0.00 179.01 178.93