#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jsc h LEU 11 N 0.00 0.62 0.64 0.00 6.46 -2.04 -1.18 115.31 119.81 2jsc h LEU 11 Ca 0.00 -0.25 -0.03 0.00 -0.12 0.00 0.00 57.88 57.47 2jsc h LEU 11 Cb 0.00 -0.17 0.01 0.00 -0.73 0.00 0.00 40.66 39.76 2jsc h LEU 11 CO 0.00 0.92 -0.31 0.00 -0.62 0.00 0.00 178.44 178.43 2jsc h ALA 12 N 1.12 -0.86 -1.00 1.25 0.00 -2.05 0.62 119.26 118.33 2jsc h ALA 12 Ca 0.05 -0.21 0.12 0.00 0.00 0.00 0.00 54.91 54.87 2jsc h ALA 12 Cb 0.84 0.33 -0.08 0.00 0.00 0.00 0.00 17.79 18.88 2jsc h ALA 12 CO 0.07 -0.87 0.63 0.00 0.00 0.00 0.00 179.25 179.08 2jsc h ARG 13 N -1.09 0.97 0.09 0.00 3.08 -2.00 -0.77 114.38 114.66 2jsc h ARG 13 Ca -0.09 -0.06 -0.00 0.00 0.07 0.00 0.00 59.98 59.90 2jsc h ARG 13 Cb 0.70 -0.22 0.00 0.00 0.08 0.00 0.00 29.97 30.54 2jsc h ARG 13 CO 0.15 0.64 -0.04 1.25 -1.07 0.00 0.00 179.97 180.89 2jsc h LEU 14 N 1.00 -0.11 -1.41 3.04 7.12 -1.25 -3.35 115.31 120.35 2jsc h LEU 14 Ca 0.49 -0.47 0.00 0.00 0.13 0.00 0.00 57.88 58.04 2jsc h LEU 14 Cb 0.47 0.03 0.00 0.00 -0.53 0.00 0.00 40.66 40.63 2jsc h LEU 14 CO -0.26 0.54 0.00 1.23 -0.13 0.00 0.00 178.44 179.82 2jsc h GLY 15 N -0.89 0.00 1.69 3.75 0.00 -0.62 -1.70 103.07 105.29 2jsc h GLY 15 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.32 2jsc h GLY 15 CO 0.02 0.00 0.15 3.21 0.00 0.00 0.00 176.54 179.92 2jsc h ARG 16 N 0.00 0.00 -0.01 4.80 3.08 -1.27 0.91 114.38 121.90 2jsc h ARG 16 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 2jsc h ARG 16 Cb 0.37 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.42 2jsc h ARG 16 CO 0.00 0.00 -0.35 0.00 -1.07 0.00 0.00 179.97 178.55 2jsc n ALA 17 N -1.97 3.14 -0.10 0.04 0.00 -0.65 -4.72 120.51 116.26 2jsc n ALA 17 Ca -0.02 -0.42 -0.11 0.00 0.00 0.00 0.00 53.44 52.89 2jsc n ALA 17 Cb 0.21 -0.42 -0.14 0.00 0.00 0.00 0.00 19.45 19.09 2jsc n ALA 17 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 2jsc n LEU 18 N -0.58 0.63 -3.66 0.00 7.94 -0.25 -4.63 117.00 116.45 2jsc n LEU 18 Ca 0.04 -0.03 -0.41 0.00 -1.11 0.00 0.00 56.01 54.50 2jsc n LEU 18 Cb 0.23 0.19 -0.00 0.00 0.53 0.00 0.00 43.42 44.36 2jsc n LEU 18 CO 0.18 0.56 2.39 0.00 -1.11 0.00 0.00 177.39 179.41 2jsc n ALA 19 N -2.81 6.11 -2.21 1.96 0.00 0.15 -4.18 120.51 119.53 2jsc n ALA 19 Ca -0.33 -4.08 -0.12 0.00 0.00 0.00 0.00 53.44 48.90 2jsc n ALA 19 Cb 1.08 -3.06 -0.10 0.00 0.00 0.00 0.00 19.45 17.38 2jsc n ALA 19 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 2jsc s ASP 20 N 1.23 0.57 0.00 0.00 2.15 -1.26 -4.97 116.67 114.39 2jsc s ASP 20 Ca 0.49 -1.30 0.00 0.00 0.43 0.00 0.00 52.55 52.17 2jsc s ASP 20 Cb 0.14 0.27 0.00 0.00 -0.30 0.00 0.00 42.92 43.03 2jsc s ASP 20 CO -0.05 -0.74 0.00 -0.81 -0.17 0.00 0.00 175.17 173.40 2jsc n PRO 21 N -0.25 0.00 -0.30 4.34 -0.04 -1.26 -3.62 135.00 133.86 2jsc n PRO 21 Ca -0.02 0.00 0.15 0.00 -0.04 0.00 0.00 63.50 63.59 2jsc n PRO 21 Cb 0.65 0.00 0.29 0.00 -0.04 0.00 0.00 33.50 34.39 2jsc n PRO 21 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 2jsc n THR 22 N 0.00 -0.37 -0.22 0.52 -2.24 -1.26 -2.34 114.28 108.36 2jsc n THR 22 Ca 0.00 1.92 -0.07 0.00 -2.27 0.00 0.00 64.05 63.63 2jsc n THR 22 Cb 0.00 -2.83 0.03 0.00 -2.10 0.00 0.00 70.33 65.44 2jsc n THR 22 CO 0.00 0.00 0.00 -0.09 -0.57 0.00 0.00 175.07 174.41 2jsc h ARG 23 N 0.00 0.92 0.24 -0.78 2.43 -1.91 0.23 114.38 115.51 2jsc h ARG 23 Ca 0.55 -0.15 -0.00 0.00 -0.81 0.00 0.00 59.98 59.57 2jsc h ARG 23 Cb 1.19 -0.16 -0.01 0.00 -0.42 0.00 0.00 29.97 30.57 2jsc h ARG 23 CO -0.81 0.76 -0.19 0.00 -1.51 0.00 0.00 179.97 178.22 2jsc h ARG 25 N -0.44 0.59 -0.19 0.00 2.47 -1.10 -0.75 114.38 114.96 2jsc h ARG 25 Ca -0.01 -0.04 0.04 0.00 -1.26 0.00 0.00 59.98 58.71 2jsc h ARG 25 Cb 0.39 -0.13 -0.07 0.00 -1.65 0.00 0.00 29.97 28.51 2jsc h ARG 25 CO -0.01 0.39 -0.48 0.82 0.56 0.00 0.00 179.97 181.24 2jsc h ILE 26 N 0.60 0.07 -0.46 2.04 2.04 -0.44 -1.37 117.51 120.00 2jsc h ILE 26 Ca 0.44 0.00 -0.09 0.00 1.00 0.00 0.00 64.86 66.21 2jsc h ILE 26 Cb 0.80 0.07 -0.02 0.00 -0.74 0.00 0.00 36.82 36.93 2jsc h ILE 26 CO -0.19 0.00 -0.08 -0.07 0.00 0.00 0.00 178.15 177.81 2jsc h LEU 27 N -0.51 0.79 -0.94 1.44 3.38 -1.12 0.66 115.31 119.02 2jsc h LEU 27 Ca 0.07 -0.23 -0.11 0.00 0.09 0.00 0.00 57.88 57.70 2jsc h LEU 27 Cb 0.65 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.17 2jsc h LEU 27 CO -0.45 0.91 -0.44 -0.37 0.09 0.00 0.00 178.44 178.17 2jsc h VAL 28 N 0.74 1.32 0.01 1.22 -1.51 -1.25 -3.08 116.25 113.71 2jsc h VAL 28 Ca 0.13 -1.58 -0.23 0.00 -1.23 0.00 0.00 66.70 63.78 2jsc h VAL 28 Cb 0.56 1.76 -0.03 0.00 -2.13 0.00 0.00 31.29 31.45 2jsc h VAL 28 CO 0.03 0.47 -1.16 0.00 -1.23 0.00 0.00 177.57 175.68 2jsc h ALA 29 N 1.39 0.41 -0.37 5.19 0.00 -0.78 -3.35 119.26 121.77 2jsc h ALA 29 Ca 0.01 -1.02 -0.07 0.00 0.00 0.00 0.00 54.91 53.83 2jsc h ALA 29 Cb 0.85 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.60 2jsc h ALA 29 CO 0.07 1.29 -0.08 -0.07 0.00 0.00 0.00 179.25 180.46 2jsc h LEU 30 N 0.01 0.59 -1.10 0.00 4.07 -0.80 0.18 115.31 118.27 2jsc h LEU 30 Ca -0.08 -0.15 0.06 0.00 0.08 0.00 0.00 57.88 57.80 2jsc h LEU 30 Cb 1.83 -0.16 -0.01 0.00 1.08 0.00 0.00 40.66 43.41 2jsc h LEU 30 CO 0.13 0.72 0.74 -0.07 -1.08 0.00 0.00 178.44 178.87 2jsc h LEU 31 N 0.57 0.00 0.00 1.67 3.38 -1.67 -3.06 115.31 116.20 2jsc h LEU 31 Ca 0.11 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.08 2jsc h LEU 31 Cb 0.48 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.23 2jsc h LEU 31 CO 0.03 0.00 -0.88 -0.67 0.09 0.00 0.00 178.44 177.01 2jsc n ASP 32 N -2.91 3.96 0.00 -0.43 2.03 -0.97 -4.99 116.55 113.24 2jsc n ASP 32 Ca 0.04 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.35 2jsc n ASP 32 Cb 0.83 0.22 0.00 0.00 -0.72 0.00 0.00 41.12 41.45 2jsc n ASP 32 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2jsc n GLY 33 N 2.98 0.76 2.71 0.27 0.00 0.01 -4.93 105.19 106.99 2jsc n GLY 33 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.92 2jsc n GLY 33 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 2jsc n VAL 34 N -1.02 -0.34 0.00 1.61 0.24 -1.22 -4.87 118.33 112.73 2jsc n VAL 34 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.30 2jsc n VAL 34 Cb 0.00 -0.90 0.00 0.00 -1.47 0.00 0.00 33.84 31.47 2jsc n VAL 34 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2jsc s TYR 36 N -0.07 0.36 -1.40 0.00 2.02 -1.26 -4.09 117.35 112.91 2jsc s TYR 36 Ca 0.00 -0.75 0.00 0.00 -0.37 0.00 0.00 57.07 55.95 2jsc s TYR 36 Cb 0.00 -0.27 0.00 0.00 -0.40 0.00 0.00 41.96 41.29 2jsc s TYR 36 CO 0.00 -0.29 0.22 -0.35 -1.57 0.00 0.00 175.55 173.56 2jsc n PRO 37 N 0.86 0.32 0.00 -1.71 -0.04 -1.26 -1.19 135.00 131.99 2jsc n PRO 37 Ca -0.19 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.27 2jsc n PRO 37 Cb 0.58 -1.10 0.00 0.00 -0.04 0.00 0.00 33.50 32.94 2jsc n PRO 37 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2jsc n GLY 38 N 0.13 0.96 0.24 0.55 0.00 -1.26 -4.87 105.19 100.95 2jsc n GLY 38 Ca 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.87 2jsc n GLY 38 CO 0.00 0.00 0.00 0.06 0.00 0.00 0.00 173.32 173.38 2jsc h GLN 39 N 0.00 0.86 0.00 1.61 -0.00 -1.56 -2.70 115.11 113.32 2jsc h GLN 39 Ca 0.00 -0.56 0.00 0.00 -0.00 0.00 0.00 58.65 58.09 2jsc h GLN 39 Cb 0.00 0.07 0.00 0.00 -0.00 0.00 0.00 27.48 27.55 2jsc h GLN 39 CO 0.00 1.19 0.14 -0.07 -0.00 0.00 0.00 178.83 180.09 2jsc h LEU 40 N 0.65 0.00 -1.40 0.06 3.38 -1.90 -2.28 115.31 113.82 2jsc h LEU 40 Ca 0.00 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.92 2jsc h LEU 40 Cb 1.19 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.93 2jsc h LEU 40 CO 0.13 0.00 -0.22 0.00 0.09 0.00 0.00 178.44 178.43 2jsc h ALA 41 N 1.72 1.51 0.00 1.53 0.00 -1.66 -1.10 119.26 121.26 2jsc h ALA 41 Ca 0.00 -0.24 -0.00 0.00 0.00 0.00 0.00 54.91 54.67 2jsc h ALA 41 Cb 0.27 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.00 2jsc h ALA 41 CO 0.00 0.36 -0.01 0.00 0.00 0.00 0.00 179.25 179.60 2jsc h ALA 42 N 1.67 -0.00 -0.65 0.00 0.00 -1.61 -2.06 119.26 116.61 2jsc h ALA 42 Ca 0.02 -0.50 0.17 0.00 0.00 0.00 0.00 54.91 54.60 2jsc h ALA 42 Cb 0.46 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.22 2jsc h ALA 42 CO 0.03 -0.00 0.46 0.45 0.00 0.00 0.00 179.25 180.19 2jsc h HIS 43 N -0.99 0.13 -0.01 0.00 -0.00 -1.52 -1.85 115.15 110.92 2jsc h HIS 43 Ca -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.37 2jsc h HIS 43 Cb 0.99 -0.04 0.00 0.00 -0.00 0.00 0.00 27.41 28.36 2jsc h HIS 43 CO 0.28 0.05 -0.66 1.28 -0.00 0.00 0.00 177.93 178.87 2jsc n LEU 44 N -4.39 1.32 0.00 2.43 4.77 -0.43 -4.99 117.00 115.72 2jsc n LEU 44 Ca 0.13 -0.62 0.00 0.00 -0.03 0.00 0.00 56.01 55.49 2jsc n LEU 44 Cb 0.65 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.74 2jsc n LEU 44 CO 0.36 0.28 0.00 0.61 -1.33 0.00 0.00 177.39 177.31 2jsc n GLY 45 N 1.38 0.30 3.60 -0.72 0.00 -0.70 -4.97 105.19 104.08 2jsc n GLY 45 Ca 0.06 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.75 2jsc n GLY 45 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2jsc s LEU 46 N 0.00 3.19 0.62 0.99 1.02 -0.82 -4.95 118.68 118.73 2jsc s LEU 46 Ca 0.00 -0.14 -0.19 0.00 0.02 0.00 0.00 54.13 53.82 2jsc s LEU 46 Cb 0.00 -1.82 -0.02 0.00 0.02 0.00 0.00 46.19 44.37 2jsc s LEU 46 CO 0.00 0.28 1.28 1.07 0.02 0.00 0.00 176.35 179.00 2jsc n THR 47 N 1.55 4.63 0.26 5.49 5.66 -1.26 -4.27 114.28 126.35 2jsc n THR 47 Ca -0.15 -0.50 0.14 0.00 -3.05 0.00 0.00 64.05 60.49 2jsc n THR 47 Cb 0.53 -1.49 0.69 0.00 -1.55 0.00 0.00 70.33 68.50 2jsc n THR 47 CO 0.00 0.00 0.00 0.08 -3.05 0.00 0.00 175.07 172.10 2jsc h ARG 48 N 0.70 0.00 -0.05 1.09 0.11 -1.92 -1.11 114.38 113.20 2jsc h ARG 48 Ca -0.51 0.00 -0.03 0.00 0.10 0.00 0.00 59.98 59.54 2jsc h ARG 48 Cb 1.34 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.42 2jsc h ARG 48 CO 0.54 0.00 -0.09 0.66 0.10 0.00 0.00 179.97 181.17 2jsc h SER 49 N 0.00 0.17 -0.67 0.08 4.64 -1.96 -0.91 113.55 114.90 2jsc h SER 49 Ca 0.00 -0.56 -0.00 0.00 -0.47 0.00 0.00 61.79 60.76 2jsc h SER 49 Cb 0.14 -0.05 -0.03 0.00 -0.31 0.00 0.00 62.40 62.15 2jsc h SER 49 CO 0.00 0.70 0.41 0.78 -0.87 0.00 0.00 176.83 177.85 2jsc h ASN 50 N -0.35 0.79 -0.75 4.97 4.21 -1.59 -2.14 115.58 120.71 2jsc h ASN 50 Ca 0.00 -0.05 -0.04 0.00 1.21 0.00 0.00 56.30 57.42 2jsc h ASN 50 Cb 0.67 -0.20 -0.03 0.00 -1.12 0.00 0.00 38.32 37.64 2jsc h ASN 50 CO 0.02 0.61 0.33 0.58 -1.29 0.00 0.00 177.43 177.68 2jsc h VAL 51 N 0.91 1.25 -0.61 2.81 2.07 -1.35 -2.94 116.25 118.39 2jsc h VAL 51 Ca 0.24 -0.74 -0.03 0.00 0.82 0.00 0.00 66.70 66.99 2jsc h VAL 51 Cb -0.05 0.34 -0.03 0.00 -1.52 0.00 0.00 31.29 30.04 2jsc h VAL 51 CO -0.05 0.31 0.27 0.28 0.02 0.00 0.00 177.57 178.40 2jsc h SER 52 N 1.07 0.78 -0.88 0.57 0.02 -0.81 -0.61 113.55 113.68 2jsc h SER 52 Ca 0.25 -0.09 0.08 0.00 -0.84 0.00 0.00 61.79 61.19 2jsc h SER 52 Cb 0.17 -0.20 -0.07 0.00 0.14 0.00 0.00 62.40 62.44 2jsc h SER 52 CO -0.03 0.68 0.54 0.78 -1.14 0.00 0.00 176.83 177.66 2jsc h ASN 53 N 0.86 0.83 0.25 3.07 2.35 -1.22 0.37 115.58 122.09 2jsc h ASN 53 Ca 0.21 0.03 -0.19 0.00 -0.55 0.00 0.00 56.30 55.80 2jsc h ASN 53 Cb 0.12 -0.14 -0.00 0.00 0.05 0.00 0.00 38.32 38.34 2jsc h ASN 53 CO -0.02 0.51 -0.75 0.45 -1.65 0.00 0.00 177.43 175.96 2jsc h HIS 54 N 0.95 0.57 -0.27 1.19 3.86 -1.28 -3.31 115.15 116.85 2jsc h HIS 54 Ca 0.40 -0.26 -0.15 0.00 -1.16 0.00 0.00 60.37 59.21 2jsc h HIS 54 Cb 0.25 -0.09 -0.01 0.00 1.06 0.00 0.00 27.41 28.63 2jsc h HIS 54 CO -0.03 1.02 -0.43 -0.07 0.86 0.00 0.00 177.93 179.28 2jsc h LEU 55 N 0.28 0.71 -1.03 2.43 3.38 -0.47 -3.27 115.31 117.33 2jsc h LEU 55 Ca -0.03 -0.33 0.12 0.00 0.09 0.00 0.00 57.88 57.73 2jsc h LEU 55 Cb 1.33 -0.20 -0.08 0.00 0.09 0.00 0.00 40.66 41.80 2jsc h LEU 55 CO 0.13 1.04 0.63 0.28 0.09 0.00 0.00 178.44 180.61 2jsc h SER 56 N 0.54 0.91 -0.34 -0.43 0.02 -1.03 -0.94 113.55 112.27 2jsc h SER 56 Ca 0.04 0.05 -0.08 0.00 -0.84 0.00 0.00 61.79 60.96 2jsc h SER 56 Cb 0.96 -0.14 -0.01 0.00 0.14 0.00 0.00 62.40 63.35 2jsc h SER 56 CO 0.09 0.48 -0.10 0.00 -1.14 0.00 0.00 176.83 176.16 2jsc h LEU 58 N 0.45 0.83 -0.25 0.00 5.85 -1.33 0.95 115.31 121.81 2jsc h LEU 58 Ca 0.08 -0.09 0.00 0.00 0.84 0.00 0.00 57.88 58.72 2jsc h LEU 58 Cb 0.61 -0.21 0.00 0.00 0.37 0.00 0.00 40.66 41.43 2jsc h LEU 58 CO 0.04 0.71 0.00 0.54 -0.34 0.00 0.00 178.44 179.38 2jsc n ARG 59 N -4.34 1.17 -0.05 1.25 1.74 -0.46 -1.40 116.66 114.57 2jsc n ARG 59 Ca 0.06 -0.25 -0.09 0.00 -0.77 0.00 0.00 57.85 56.80 2jsc n ARG 59 Cb 0.13 -1.39 -0.04 0.00 -1.02 0.00 0.00 32.46 30.14 2jsc n ARG 59 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2jsc n GLY 60 N 0.94 -0.15 0.00 -0.13 0.00 -0.54 -4.63 105.19 100.69 2jsc n GLY 60 Ca 0.18 -0.06 0.03 0.00 0.00 0.00 0.00 46.02 46.17 2jsc n GLY 60 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jsc n GLY 62 N -0.33 -0.52 0.08 0.00 0.00 -1.20 -4.90 105.19 98.31 2jsc n GLY 62 Ca 0.05 0.14 -0.06 0.00 0.00 0.00 0.00 46.02 46.15 2jsc n GLY 62 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2jsc h LEU 63 N -1.51 0.00 -7.82 0.99 3.38 -1.56 -3.42 115.31 105.38 2jsc h LEU 63 Ca -0.52 0.00 -0.21 0.00 0.09 0.00 0.00 57.88 57.24 2jsc h LEU 63 Cb 1.36 0.00 -0.25 0.00 0.09 0.00 0.00 40.66 41.85 2jsc h LEU 63 CO 0.57 0.91 -0.70 0.68 0.09 0.00 0.00 178.44 179.98 2jsc s VAL 64 N -2.70 0.04 0.01 1.22 -7.23 -1.03 -1.10 120.40 109.61 2jsc s VAL 64 Ca -0.02 -0.35 0.04 0.00 -1.81 0.00 0.00 61.98 59.84 2jsc s VAL 64 Cb 0.09 -0.11 -0.01 0.00 0.56 0.00 0.00 36.38 36.90 2jsc s VAL 64 CO 0.82 -0.19 -0.12 -0.69 -0.31 0.00 0.00 175.10 174.60 2jsc s VAL 65 N -0.56 0.95 0.73 1.32 1.01 0.53 -4.34 120.40 120.05 2jsc s VAL 65 Ca -0.06 -0.72 -0.12 0.00 0.00 0.00 0.00 61.98 61.08 2jsc s VAL 65 Cb -0.04 -0.84 0.04 0.00 0.00 0.00 0.00 36.38 35.54 2jsc s VAL 65 CO -0.00 0.12 1.10 0.00 0.00 0.00 0.00 175.10 176.31 2jsc s ALA 66 N -0.56 2.35 0.32 5.51 0.00 -1.26 -1.36 121.76 126.76 2jsc s ALA 66 Ca 0.02 0.35 -0.15 0.00 0.00 0.00 0.00 51.96 52.19 2jsc s ALA 66 Cb -0.06 -3.28 0.03 0.00 0.00 0.00 0.00 23.12 19.80 2jsc s ALA 66 CO 0.00 -1.58 0.67 0.99 0.00 0.00 0.00 175.76 175.84 2jsc s THR 67 N -2.73 0.00 -0.23 0.00 2.01 -1.02 -4.88 115.64 108.78 2jsc s THR 67 Ca 0.63 -1.17 -0.04 0.00 0.31 0.00 0.00 61.69 61.42 2jsc s THR 67 Cb -0.18 -2.48 -0.01 0.00 0.01 0.00 0.00 72.50 69.85 2jsc s THR 67 CO 0.51 0.00 -0.02 -0.47 -0.69 0.00 0.00 174.62 173.95 2jsc s TYR 68 N -3.18 2.99 0.00 4.92 5.04 -1.26 -0.37 117.35 125.49 2jsc s TYR 68 Ca 0.18 -0.91 0.00 0.00 -2.44 0.00 0.00 57.07 53.90 2jsc s TYR 68 Cb -0.04 -2.13 0.00 0.00 0.35 0.00 0.00 41.96 40.14 2jsc s TYR 68 CO 0.11 -0.53 0.00 -0.85 -1.34 0.00 0.00 175.55 172.94 2jsc n GLU 69 N 4.81 1.50 0.27 4.97 -0.00 0.12 -4.90 120.64 127.41 2jsc n GLU 69 Ca -0.18 0.00 0.13 0.00 -0.00 0.00 0.00 57.16 57.12 2jsc n GLU 69 Cb 0.50 0.00 0.76 0.00 -0.00 0.00 0.00 31.44 32.71 2jsc n GLU 69 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.13 177.91 2jsc h GLY 70 N 0.00 0.00 0.00 -1.84 0.00 -1.99 -3.37 103.07 95.87 2jsc h GLY 70 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2jsc h GLY 70 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 176.54 174.41 2jsc n ARG 71 N -3.68 0.00 -4.43 4.80 0.63 -1.26 -5.15 116.66 107.57 2jsc n ARG 71 Ca -0.02 -0.01 -0.21 0.00 -0.92 0.00 0.00 57.85 56.68 2jsc n ARG 71 Cb 0.21 -0.07 -0.10 0.00 0.45 0.00 0.00 32.46 32.94 2jsc n ARG 71 CO 0.00 0.00 0.00 -0.65 -2.51 0.00 0.00 177.63 174.47 2jsc s GLN 72 N 0.00 1.55 0.45 -0.14 1.11 -1.26 -5.14 119.66 116.22 2jsc s GLN 72 Ca 0.00 -1.77 -0.20 0.00 0.01 0.00 0.00 55.36 53.40 2jsc s GLN 72 Cb 0.00 -1.19 -0.10 0.00 -1.01 0.00 0.00 33.01 30.71 2jsc s GLN 72 CO 0.00 0.06 0.97 0.14 0.01 0.00 0.00 175.29 176.47 2jsc s VAL 73 N -2.98 4.32 0.48 1.09 -7.23 -1.26 -0.70 120.40 114.11 2jsc s VAL 73 Ca 0.29 1.39 0.02 0.00 -1.81 0.00 0.00 61.98 61.87 2jsc s VAL 73 Cb 0.03 -3.59 -0.01 0.00 0.56 0.00 0.00 36.38 33.37 2jsc s VAL 73 CO 0.12 -0.37 0.08 0.00 -0.31 0.00 0.00 175.10 174.62 2jsc s ARG 74 N -3.34 2.11 -0.05 4.82 1.70 0.50 -4.09 118.95 120.60 2jsc s ARG 74 Ca 0.62 -2.34 -0.03 0.00 -0.47 0.00 0.00 55.73 53.52 2jsc s ARG 74 Cb -0.10 -1.00 0.03 0.00 -0.57 0.00 0.00 34.95 33.31 2jsc s ARG 74 CO 0.17 -0.48 0.12 0.71 -1.08 0.00 0.00 175.30 174.74 2jsc s TYR 75 N -3.04 -0.13 0.20 5.89 2.02 -1.26 -2.45 117.35 118.58 2jsc s TYR 75 Ca 0.12 0.39 0.05 0.00 -0.37 0.00 0.00 57.07 57.26 2jsc s TYR 75 Cb 0.01 -0.08 -0.05 0.00 -0.40 0.00 0.00 41.96 41.44 2jsc s TYR 75 CO 0.08 -0.13 -0.08 0.00 -1.57 0.00 0.00 175.55 173.85 2jsc s ALA 76 N 0.93 1.76 0.62 3.71 0.00 -0.47 -4.35 121.76 123.97 2jsc s ALA 76 Ca -0.07 -1.64 -0.18 0.00 0.00 0.00 0.00 51.96 50.06 2jsc s ALA 76 Cb -0.10 0.15 -0.03 0.00 0.00 0.00 0.00 23.12 23.15 2jsc s ALA 76 CO -0.04 -0.10 1.13 1.28 0.00 0.00 0.00 175.76 178.03 2jsc n LEU 77 N -0.34 4.83 0.29 0.00 4.32 -1.26 -0.34 117.00 124.50 2jsc n LEU 77 Ca -0.08 0.83 0.18 0.00 -0.02 0.00 0.00 56.01 56.92 2jsc n LEU 77 Cb 0.62 -1.47 0.83 0.00 -1.62 0.00 0.00 43.42 41.78 2jsc n LEU 77 CO 0.35 -1.40 1.04 0.00 -1.22 0.00 0.00 177.39 176.15 2jsc h ALA 78 N 0.57 1.05 -2.10 -1.18 0.00 -1.36 -3.41 119.26 112.83 2jsc h ALA 78 Ca -0.50 -0.03 0.24 0.00 0.00 0.00 0.00 54.91 54.62 2jsc h ALA 78 Cb 1.35 -0.01 -0.08 0.00 0.00 0.00 0.00 17.79 19.06 2jsc h ALA 78 CO 0.52 0.04 0.66 0.34 0.00 0.00 0.00 179.25 180.82 2jsc s ASP 79 N -5.65 -0.07 0.53 0.00 -1.08 -1.26 -4.94 116.67 104.21 2jsc s ASP 79 Ca -0.01 -0.37 0.46 0.00 -0.52 0.00 0.00 52.55 52.11 2jsc s ASP 79 Cb 0.11 0.35 1.68 0.00 -1.46 0.00 0.00 42.92 43.61 2jsc s ASP 79 CO 0.52 -0.67 1.59 0.77 0.52 0.00 0.00 175.17 177.89 2jsc h SER 80 N 2.00 0.04 0.00 -0.34 4.64 -1.98 -1.84 113.55 116.07 2jsc h SER 80 Ca -0.27 0.03 0.00 0.00 -0.47 0.00 0.00 61.79 61.09 2jsc h SER 80 Cb 1.21 0.03 0.00 0.00 -0.31 0.00 0.00 62.40 63.34 2jsc h SER 80 CO 0.30 -0.05 0.00 1.41 -0.87 0.00 0.00 176.83 177.61 2jsc n HIS 81 N -4.11 0.00 0.16 4.77 8.25 -1.26 -0.61 115.22 122.42 2jsc n HIS 81 Ca 0.43 0.00 0.02 0.00 -0.26 0.00 0.00 57.72 57.91 2jsc n HIS 81 Cb 1.90 -0.19 0.27 0.00 1.12 0.00 0.00 29.99 33.09 2jsc n HIS 81 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 2jsc h LEU 82 N 0.00 0.00 -0.41 2.41 -0.00 -1.74 -2.18 115.31 113.40 2jsc h LEU 82 Ca 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 57.88 57.87 2jsc h LEU 82 Cb 0.00 0.00 -0.02 0.00 -0.00 0.00 0.00 40.66 40.64 2jsc h LEU 82 CO 0.00 0.48 0.23 0.00 -0.00 0.00 0.00 178.44 179.15 2jsc h ALA 83 N 1.52 0.53 -0.08 1.53 0.00 -1.46 -0.24 119.26 121.05 2jsc h ALA 83 Ca -0.00 -0.08 -0.08 0.00 0.00 0.00 0.00 54.91 54.74 2jsc h ALA 83 Cb 0.93 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.56 2jsc h ALA 83 CO 0.06 0.05 -0.27 0.07 0.00 0.00 0.00 179.25 179.16 2jsc h ARG 84 N 0.53 0.32 -0.77 0.00 -0.00 -0.69 -0.02 114.38 113.75 2jsc h ARG 84 Ca 0.14 -0.24 0.02 0.00 -0.00 0.00 0.00 59.98 59.91 2jsc h ARG 84 Cb 0.05 0.04 -0.04 0.00 -0.00 0.00 0.00 29.97 30.02 2jsc h ARG 84 CO -0.02 0.87 0.49 0.00 -0.00 0.00 0.00 179.97 181.31 2jsc h ALA 85 N 0.46 1.00 -0.10 0.08 0.00 -1.32 0.18 119.26 119.55 2jsc h ALA 85 Ca -0.01 -0.04 -0.15 0.00 0.00 0.00 0.00 54.91 54.71 2jsc h ALA 85 Cb 0.90 -0.27 0.01 0.00 0.00 0.00 0.00 17.79 18.42 2jsc h ALA 85 CO 0.06 0.32 -0.52 1.25 0.00 0.00 0.00 179.25 180.36 2jsc h LEU 86 N 0.98 0.63 -0.40 0.00 6.46 -1.12 -3.13 115.31 118.72 2jsc h LEU 86 Ca 0.30 -0.65 -0.18 0.00 -0.12 0.00 0.00 57.88 57.23 2jsc h LEU 86 Cb -0.03 -0.19 -0.00 0.00 -0.73 0.00 0.00 40.66 39.71 2jsc h LEU 86 CO -0.10 1.17 -0.69 1.23 -0.62 0.00 0.00 178.44 179.44 2jsc h GLY 87 N 0.12 0.54 1.36 3.75 0.00 -0.42 -1.67 103.07 106.74 2jsc h GLY 87 Ca -0.04 -0.73 0.00 0.00 0.00 0.00 0.00 47.33 46.57 2jsc h GLY 87 CO 0.11 0.65 0.00 -1.84 0.00 0.00 0.00 176.54 175.45 2jsc n GLU 88 N -3.88 0.59 -1.93 4.80 0.28 0.57 -5.00 120.64 116.06 2jsc n GLU 88 Ca -0.04 0.02 -0.01 0.00 -0.16 0.00 0.00 57.16 56.96 2jsc n GLU 88 Cb 0.69 -1.50 -0.01 0.00 1.43 0.00 0.00 31.44 32.05 2jsc n GLU 88 CO 0.00 0.00 0.00 -0.11 -0.16 0.00 0.00 177.13 176.86 2jsc n LEU 89 N -1.18 -4.88 -0.66 -1.84 7.94 -0.63 -4.81 117.00 110.94 2jsc n LEU 89 Ca 0.16 1.74 0.00 0.00 -1.11 0.00 0.00 56.01 56.80 2jsc n LEU 89 Cb 0.17 -2.44 0.00 0.00 0.53 0.00 0.00 43.42 41.69 2jsc n LEU 89 CO 0.19 -2.03 0.11 1.33 -1.11 0.00 0.00 177.39 175.88 2jsc n VAL 90 N 1.15 0.10 0.00 1.96 0.24 -1.19 -4.75 118.33 115.84 2jsc n VAL 90 Ca -0.06 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.24 2jsc n VAL 90 Cb 0.10 -0.32 0.00 0.00 -1.47 0.00 0.00 33.84 32.14 2jsc n VAL 90 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2jsc n GLN 91 N 0.49 0.00 0.00 7.34 1.13 -1.26 -4.83 117.38 120.25 2jsc n GLN 91 Ca 0.00 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.06 2jsc n GLN 91 Cb 0.11 -1.10 0.00 0.00 0.11 0.00 0.00 30.24 29.36 2jsc n GLN 91 CO 0.00 0.00 0.00 1.55 -1.44 0.00 0.00 177.06 177.17 2jsc n VAL 92 N -2.00 0.00 -2.57 5.09 3.14 -1.26 -4.63 118.33 116.09 2jsc n VAL 92 Ca 0.00 0.00 -0.20 0.00 -2.96 0.00 0.00 64.34 61.18 2jsc n VAL 92 Cb 0.00 -0.45 0.00 0.00 -1.06 0.00 0.00 33.84 32.33 2jsc n VAL 92 CO 0.00 0.00 0.00 0.52 -6.46 0.00 0.00 176.83 170.89 2jsc n VAL 93 N 1.05 -1.17 -0.85 1.55 0.31 -1.26 -3.69 118.33 114.28 2jsc n VAL 93 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 2jsc n VAL 93 Cb 0.00 -2.90 0.00 0.00 -0.91 0.00 0.00 33.84 30.03 2jsc n VAL 93 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 2jsc n LEU 94 N -3.24 -2.14 -3.25 7.52 7.99 -1.26 -4.84 117.00 117.77 2jsc n LEU 94 Ca -0.20 0.10 -0.23 0.00 -0.01 0.00 0.00 56.01 55.67 2jsc n LEU 94 Cb 0.66 -1.07 -0.05 0.00 -0.11 0.00 0.00 43.42 42.84 2jsc n LEU 94 CO 0.32 -0.08 1.36 0.00 -1.51 0.00 0.00 177.39 177.49 2jsc n ALA 95 N 0.06 1.35 -0.79 -1.18 0.00 -1.24 -4.93 120.51 113.78 2jsc n ALA 95 Ca 0.00 -1.44 -0.33 0.00 0.00 0.00 0.00 53.44 51.67 2jsc n ALA 95 Cb 0.00 -3.11 0.12 0.00 0.00 0.00 0.00 19.45 16.46 2jsc n ALA 95 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2jsc n VAL 96 N 5.81 0.00 0.30 0.00 0.31 -1.26 -4.72 118.33 118.76 2jsc n VAL 96 Ca 0.25 -0.22 0.04 0.00 -0.01 0.00 0.00 64.34 64.41 2jsc n VAL 96 Cb 0.20 -0.58 0.19 0.00 -0.91 0.00 0.00 33.84 32.75 2jsc n VAL 96 CO 0.00 0.00 0.00 -0.90 -1.32 0.00 0.00 176.83 174.61 2jsc n ASP 97 N -1.05 2.94 -4.86 4.52 5.68 -1.26 -4.86 116.55 117.66 2jsc n ASP 97 Ca 0.05 -2.31 -0.32 0.00 -0.50 0.00 0.00 54.79 51.71 2jsc n ASP 97 Cb 0.55 -0.48 -0.06 0.00 -1.14 0.00 0.00 41.12 39.99 2jsc n ASP 97 CO 0.00 0.00 0.00 0.42 -1.33 0.00 0.00 177.20 176.29 2jsc s THR 98 N -1.76 4.74 -0.01 2.12 -4.23 -1.26 -4.48 115.64 110.76 2jsc s THR 98 Ca 0.27 0.82 -0.01 0.00 -1.18 0.00 0.00 61.69 61.59 2jsc s THR 98 Cb 0.18 -3.62 0.00 0.00 1.34 0.00 0.00 72.50 70.41 2jsc s THR 98 CO 0.11 -0.17 0.03 -0.62 -0.54 0.00 0.00 174.62 173.42 2jsc s ASP 99 N -2.33 -0.03 0.07 3.99 2.15 -1.26 -4.53 116.67 114.73 2jsc s ASP 99 Ca 0.52 0.05 -0.26 0.00 0.43 0.00 0.00 52.55 53.29 2jsc s ASP 99 Cb -0.10 0.05 0.08 0.00 -0.30 0.00 0.00 42.92 42.65 2jsc s ASP 99 CO 0.19 -0.01 0.73 -1.58 -0.17 0.00 0.00 175.17 174.33 2jsc s GLN 100 N 0.01 1.06 1.04 4.34 0.74 -1.26 -5.11 119.66 120.48 2jsc s GLN 100 Ca -0.00 -0.31 -0.16 0.00 0.05 0.00 0.00 55.36 54.94 2jsc s GLN 100 Cb -0.00 0.49 0.21 0.00 1.10 0.00 0.00 33.01 34.81 2jsc s GLN 100 CO 0.00 -0.45 1.16 -1.25 -0.55 0.00 0.00 175.29 174.21 2jsc s PRO 101 N -3.16 0.06 0.40 1.67 0.04 -1.26 -4.96 135.00 127.79 2jsc s PRO 101 Ca 0.01 0.02 -0.25 0.00 0.04 0.00 0.00 61.00 60.83 2jsc s PRO 101 Cb -0.01 -1.74 -0.12 0.00 0.04 0.00 0.00 34.50 32.68 2jsc s PRO 101 CO -0.09 -2.87 0.92 0.00 0.04 0.00 0.00 177.00 175.00 2jsc h VAL 103 N 1.46 0.77 0.00 0.00 2.07 -1.96 -0.76 116.25 117.82 2jsc h VAL 103 Ca -0.43 -0.07 -0.03 0.00 0.82 0.00 0.00 66.70 66.99 2jsc h VAL 103 Cb 1.35 0.55 -0.00 0.00 -1.52 0.00 0.00 31.29 31.67 2jsc h VAL 103 CO 0.56 0.04 -0.17 0.00 0.02 0.00 0.00 177.57 178.03 2jsc h ALA 104 N 1.69 1.08 -0.26 1.67 0.00 -2.04 -3.04 119.26 118.36 2jsc h ALA 104 Ca 0.30 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 55.06 2jsc h ALA 104 Cb 0.92 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.68 2jsc h ALA 104 CO -0.05 0.21 0.00 -0.85 0.00 0.00 0.00 179.25 178.55 2jsc n GLU 105 N -3.40 2.85 0.00 0.00 0.28 -0.36 -5.27 120.64 114.74 2jsc n GLU 105 Ca -0.00 -2.07 0.15 0.00 -0.16 0.00 0.00 57.16 55.08 2jsc n GLU 105 Cb 0.36 -1.30 0.87 0.00 1.43 0.00 0.00 31.44 32.80 2jsc n GLU 105 CO 0.00 0.00 0.00 -2.13 -0.16 0.00 0.00 177.13 174.84