#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 0.00 -1.03 0.00 -0.00 -2.03 0.44 115.31 112.68 2jsc h LEU 11 Ca 0.00 0.00 0.04 0.00 -0.00 0.00 0.00 57.88 57.92 2jsc h LEU 11 Cb 0.00 0.00 -0.06 0.00 -0.00 0.00 0.00 40.66 40.60 2jsc h LEU 11 CO 0.00 0.06 0.65 0.00 -0.00 0.00 0.00 178.44 179.15 2jsc h ALA 12 N 1.94 1.37 -0.22 1.53 0.00 -2.06 -1.94 119.26 119.89 2jsc h ALA 12 Ca -0.00 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.87 2jsc h ALA 12 Cb 0.41 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 2jsc h ALA 12 CO 0.01 0.53 0.14 0.00 0.00 0.00 0.00 179.25 179.93 2jsc h ARG 13 N 1.23 0.28 -0.55 0.00 3.08 -1.34 -1.74 114.38 115.35 2jsc h ARG 13 Ca 0.40 -0.02 -0.02 0.00 0.07 0.00 0.00 59.98 60.41 2jsc h ARG 13 Cb 0.03 -0.06 -0.03 0.00 0.08 0.00 0.00 29.97 29.99 2jsc h ARG 13 CO -0.13 0.19 0.26 1.25 -1.07 0.00 0.00 179.97 180.47 2jsc h LEU 14 N 0.29 0.72 -0.36 3.04 7.12 -1.35 -0.50 115.31 124.27 2jsc h LEU 14 Ca 0.08 -0.13 -0.19 0.00 0.13 0.00 0.00 57.88 57.77 2jsc h LEU 14 Cb -0.03 -0.18 -0.01 0.00 -0.53 0.00 0.00 40.66 39.91 2jsc h LEU 14 CO -0.02 0.65 -0.80 1.23 -0.13 0.00 0.00 178.44 179.38 2jsc h GLY 15 N 0.74 0.34 0.52 3.75 0.00 -1.42 -1.78 103.07 105.21 2jsc h GLY 15 Ca 0.19 -0.52 0.05 0.00 0.00 0.00 0.00 47.33 47.05 2jsc h GLY 15 CO -0.02 0.46 -0.04 3.21 0.00 0.00 0.00 176.54 180.15 2jsc h ARG 16 N 0.19 0.03 0.00 4.80 3.08 -1.18 -2.18 114.38 119.13 2jsc h ARG 16 Ca -0.04 -0.00 -0.10 0.00 0.07 0.00 0.00 59.98 59.91 2jsc h ARG 16 Cb 1.39 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 31.41 2jsc h ARG 16 CO 0.13 0.02 -0.49 0.00 -1.07 0.00 0.00 179.97 178.56 2jsc h ALA 17 N 1.25 1.03 0.00 0.04 0.00 -0.96 -3.23 119.26 117.38 2jsc h ALA 17 Ca 0.13 -0.45 -0.01 0.00 0.00 0.00 0.00 54.91 54.58 2jsc h ALA 17 Cb 0.18 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 17.89 2jsc h ALA 17 CO -0.25 0.62 -0.61 -0.07 0.00 0.00 0.00 179.25 178.94 2jsc h LEU 18 N 0.00 0.00 -2.91 0.00 4.07 -1.10 -3.27 115.31 112.10 2jsc h LEU 18 Ca -0.00 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.96 2jsc h LEU 18 Cb 0.97 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.71 2jsc h LEU 18 CO 0.06 0.03 0.00 0.00 -1.08 0.00 0.00 178.44 177.45 2jsc n ALA 19 N -2.16 3.29 -0.71 1.53 0.00 -0.84 -4.71 120.51 116.92 2jsc n ALA 19 Ca 0.01 -1.47 -0.30 0.00 0.00 0.00 0.00 53.44 51.69 2jsc n ALA 19 Cb 0.55 -1.06 0.20 0.00 0.00 0.00 0.00 19.45 19.15 2jsc n ALA 19 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2jsc s ASP 20 N -0.76 2.08 0.00 0.00 1.11 -1.22 -5.01 116.67 112.87 2jsc s ASP 20 Ca 0.45 1.76 0.00 0.00 0.18 0.00 0.00 52.55 54.94 2jsc s ASP 20 Cb 0.31 -2.38 0.00 0.00 1.07 0.00 0.00 42.92 41.92 2jsc s ASP 20 CO 0.18 -3.56 0.00 -0.81 1.18 0.00 0.00 175.17 172.17 2jsc n PRO 21 N -4.51 0.00 -0.43 8.23 -0.04 -1.26 -3.87 135.00 133.12 2jsc n PRO 21 Ca 0.07 0.00 0.36 0.00 -0.04 0.00 0.00 63.50 63.89 2jsc n PRO 21 Cb 0.54 0.00 0.61 0.00 -0.04 0.00 0.00 33.50 34.60 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 -0.21 -0.20 0.52 -2.24 -1.26 -1.26 114.28 109.64 2jsc n THR 22 Ca 0.00 1.58 -0.05 0.00 -2.27 0.00 0.00 64.05 63.31 2jsc n THR 22 Cb 0.00 -2.59 0.12 0.00 -2.10 0.00 0.00 70.33 65.76 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 0.99 -0.67 -0.78 2.43 -1.93 0.13 114.38 114.55 2jsc h ARG 23 Ca 0.78 -0.22 0.03 0.00 -0.81 0.00 0.00 59.98 59.77 2jsc h ARG 23 Cb 2.56 -0.14 -0.04 0.00 -0.42 0.00 0.00 29.97 31.92 2jsc h ARG 23 CO -0.39 0.87 0.41 0.00 -1.51 0.00 0.00 179.97 179.36 2jsc h ARG 25 N 0.80 0.92 -0.30 0.00 2.47 -1.47 -1.64 114.38 115.17 2jsc h ARG 25 Ca 0.28 -0.23 0.03 0.00 -1.26 0.00 0.00 59.98 58.80 2jsc h ARG 25 Cb 0.05 -0.12 -0.03 0.00 -1.65 0.00 0.00 29.97 28.22 2jsc h ARG 25 CO -0.12 0.86 0.12 0.82 0.56 0.00 0.00 179.97 182.22 2jsc h ILE 26 N 0.87 0.95 -0.42 2.04 1.08 -0.12 0.61 117.51 122.53 2jsc h ILE 26 Ca 0.18 -0.09 -0.06 0.00 -0.39 0.00 0.00 64.86 64.50 2jsc h ILE 26 Cb 0.39 0.66 -0.02 0.00 -3.07 0.00 0.00 36.82 34.78 2jsc h ILE 26 CO 0.01 0.05 0.05 -0.07 -0.69 0.00 0.00 178.15 177.50 2jsc h LEU 27 N 0.27 0.69 -1.06 1.44 3.38 -0.77 -1.04 115.31 118.22 2jsc h LEU 27 Ca 0.13 -0.27 -0.05 0.00 0.09 0.00 0.00 57.88 57.77 2jsc h LEU 27 Cb 0.08 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.64 2jsc h LEU 27 CO -0.12 0.79 -0.25 1.62 0.09 0.00 0.00 178.44 180.58 2jsc h VAL 28 N 0.56 0.59 -0.35 1.22 3.04 -1.25 -2.66 116.25 117.40 2jsc h VAL 28 Ca 0.13 -1.19 -0.14 0.00 -1.01 0.00 0.00 66.70 64.49 2jsc h VAL 28 Cb 0.41 1.80 -0.01 0.00 -2.01 0.00 0.00 31.29 31.48 2jsc h VAL 28 CO 0.01 0.24 -0.33 0.00 -1.01 0.00 0.00 177.57 176.48 2jsc h ALA 29 N 1.75 0.75 -0.09 3.17 0.00 -0.50 -3.29 119.26 121.06 2jsc h ALA 29 Ca -0.00 -0.42 -0.15 0.00 0.00 0.00 0.00 54.91 54.33 2jsc h ALA 29 Cb 0.78 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.43 2jsc h ALA 29 CO 0.03 0.66 -0.61 -0.07 0.00 0.00 0.00 179.25 179.26 2jsc h LEU 30 N 0.66 0.34 -0.98 0.00 3.38 -0.86 0.66 115.31 118.51 2jsc h LEU 30 Ca 0.07 -0.20 0.19 0.00 0.09 0.00 0.00 57.88 58.03 2jsc h LEU 30 Cb 0.87 -0.10 -0.18 0.00 0.09 0.00 0.00 40.66 41.35 2jsc h LEU 30 CO 0.08 0.87 -0.28 -0.11 0.09 0.00 0.00 178.44 179.09 2jsc n LEU 31 N -3.88 -0.42 0.01 1.67 0.00 -1.08 -1.53 117.00 111.77 2jsc n LEU 31 Ca -0.03 1.69 0.10 0.00 0.00 0.00 0.00 56.01 57.77 2jsc n LEU 31 Cb 0.62 -0.48 -0.13 0.00 0.00 0.00 0.00 43.42 43.43 2jsc n LEU 31 CO 0.45 -1.59 -0.59 0.47 0.00 0.00 0.00 177.39 176.12 2jsc n ASP 32 N -5.56 0.20 -1.45 1.96 8.00 -1.20 -4.67 116.55 113.83 2jsc n ASP 32 Ca 0.14 0.08 0.09 0.00 0.71 0.00 0.00 54.79 55.81 2jsc n ASP 32 Cb 0.47 1.61 0.33 0.00 -0.02 0.00 0.00 41.12 43.51 2jsc n ASP 32 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2jsc n GLY 33 N 1.26 2.99 3.28 0.44 0.00 0.22 -4.92 105.19 108.46 2jsc n GLY 33 Ca -0.04 -0.85 -0.17 0.00 0.00 0.00 0.00 46.02 44.96 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 0.75 0.00 0.07 1.61 0.24 -0.58 -4.25 118.33 116.16 2jsc n VAL 34 Ca 0.24 -0.24 0.00 0.00 -2.04 0.00 0.00 64.34 62.30 2jsc n VAL 34 Cb 0.90 -1.05 0.00 0.00 -1.47 0.00 0.00 33.84 32.22 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 -2.00 -0.49 0.09 0.00 -0.85 -1.26 -4.06 117.35 108.79 2jsc s TYR 36 Ca 0.00 0.43 -0.35 0.00 -0.52 0.00 0.00 57.07 56.64 2jsc s TYR 36 Cb 0.00 0.44 -0.14 0.00 0.38 0.00 0.00 41.96 42.64 2jsc s TYR 36 CO 0.00 -0.74 1.60 -0.35 -1.52 0.00 0.00 175.55 174.54 2jsc n PRO 37 N 0.05 1.97 -0.66 -3.49 -0.04 -1.25 -1.26 135.00 130.32 2jsc n PRO 37 Ca -0.18 0.71 0.00 0.00 -0.04 0.00 0.00 63.50 64.00 2jsc n PRO 37 Cb 0.62 -2.47 0.00 0.00 -0.04 0.00 0.00 33.50 31.61 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 3.48 1.45 0.37 0.55 0.00 -1.26 -4.87 105.19 104.91 2jsc n GLY 38 Ca 0.19 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.35 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 2.41 0.43 0.00 1.61 -0.00 -1.55 -1.72 115.11 116.29 2jsc h GLN 39 Ca 0.00 -0.03 0.00 0.00 -0.00 0.00 0.00 58.65 58.62 2jsc h GLN 39 Cb 0.00 -0.10 0.00 0.00 -0.00 0.00 0.00 27.48 27.38 2jsc h GLN 39 CO 0.00 0.29 0.00 -0.07 -0.00 0.00 0.00 178.83 179.05 2jsc h LEU 40 N 0.45 0.00 -0.49 0.06 4.07 -1.90 -2.77 115.31 114.72 2jsc h LEU 40 Ca 0.35 0.00 -0.03 0.00 0.08 0.00 0.00 57.88 58.29 2jsc h LEU 40 Cb 0.75 0.00 -0.02 0.00 1.08 0.00 0.00 40.66 42.47 2jsc h LEU 40 CO -0.11 0.00 0.20 0.00 -1.08 0.00 0.00 178.44 177.45 2jsc h ALA 41 N 2.02 0.64 -0.32 1.53 0.00 -1.50 -0.91 119.26 120.72 2jsc h ALA 41 Ca 0.00 -0.15 -0.16 0.00 0.00 0.00 0.00 54.91 54.61 2jsc h ALA 41 Cb 0.10 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 2jsc h ALA 41 CO 0.00 0.24 -0.43 0.00 0.00 0.00 0.00 179.25 179.06 2jsc h ALA 42 N 1.05 0.63 0.00 0.00 0.00 -1.69 0.60 119.26 119.85 2jsc h ALA 42 Ca 0.16 -0.47 0.00 0.00 0.00 0.00 0.00 54.91 54.61 2jsc h ALA 42 Cb 0.18 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.86 2jsc h ALA 42 CO -0.01 0.67 0.00 1.25 0.00 0.00 0.00 179.25 181.16 2jsc h HIS 43 N 0.66 0.00 0.00 0.00 6.17 -1.54 -3.21 115.15 117.23 2jsc h HIS 43 Ca 0.05 0.00 -0.08 0.00 0.71 0.00 0.00 60.37 61.04 2jsc h HIS 43 Cb 1.00 0.00 -0.02 0.00 2.52 0.00 0.00 27.41 30.91 2jsc h HIS 43 CO 0.06 0.00 -1.56 1.28 0.71 0.00 0.00 177.93 178.41 2jsc n LEU 44 N -2.39 0.00 0.00 0.26 4.77 -0.37 -5.00 117.00 114.27 2jsc n LEU 44 Ca 0.03 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.01 2jsc n LEU 44 Cb 0.31 0.11 0.00 0.00 -2.33 0.00 0.00 43.42 41.52 2jsc n LEU 44 CO 0.25 0.11 0.00 0.61 -1.33 0.00 0.00 177.39 177.03 2jsc n GLY 45 N 2.15 0.64 3.62 -0.72 0.00 0.17 -5.04 105.19 106.02 2jsc n GLY 45 Ca -0.09 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.63 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 3.23 0.63 0.99 1.43 -1.02 -5.00 118.68 118.94 2jsc s LEU 46 Ca 0.00 -0.26 -0.18 0.00 -1.03 0.00 0.00 54.13 52.66 2jsc s LEU 46 Cb 0.00 -1.97 -0.02 0.00 0.03 0.00 0.00 46.19 44.22 2jsc s LEU 46 CO 0.00 0.20 1.19 1.07 0.23 0.00 0.00 176.35 179.03 2jsc n THR 47 N 0.80 4.50 -0.33 5.49 5.66 -1.26 -4.32 114.28 124.81 2jsc n THR 47 Ca -0.13 -0.50 0.23 0.00 -3.05 0.00 0.00 64.05 60.60 2jsc n THR 47 Cb 0.52 -1.39 0.49 0.00 -1.55 0.00 0.00 70.33 68.41 2jsc n THR 47 CO 0.00 0.00 0.00 0.03 -3.05 0.00 0.00 175.07 172.05 2jsc h ARG 48 N 0.55 0.40 0.98 1.09 3.08 -1.94 0.34 114.38 118.88 2jsc h ARG 48 Ca -0.50 -0.02 -0.05 0.00 0.07 0.00 0.00 59.98 59.48 2jsc h ARG 48 Cb 1.35 -0.09 0.01 0.00 0.08 0.00 0.00 29.97 31.32 2jsc h ARG 48 CO 0.52 0.26 -0.47 0.77 -1.07 0.00 0.00 179.97 179.99 2jsc h SER 49 N 0.41 -1.11 0.00 7.04 0.02 -1.99 -1.08 113.55 116.84 2jsc h SER 49 Ca 0.62 0.04 -0.10 0.00 -0.84 0.00 0.00 61.79 61.50 2jsc h SER 49 Cb 1.51 0.29 -0.01 0.00 0.14 0.00 0.00 62.40 64.33 2jsc h SER 49 CO -0.34 -0.78 -0.31 0.78 -1.14 0.00 0.00 176.83 175.04 2jsc h ASN 50 N -1.35 0.45 0.10 3.07 4.21 -1.71 -0.46 115.58 119.90 2jsc h ASN 50 Ca -0.13 -0.17 0.01 0.00 1.21 0.00 0.00 56.30 57.22 2jsc h ASN 50 Cb 1.01 -0.12 -0.02 0.00 -1.12 0.00 0.00 38.32 38.06 2jsc h ASN 50 CO 0.22 0.74 -0.17 0.58 -1.29 0.00 0.00 177.43 177.52 2jsc h VAL 51 N 0.39 0.62 0.00 2.81 2.07 -1.01 -3.20 116.25 117.93 2jsc h VAL 51 Ca 0.05 0.00 -0.09 0.00 0.82 0.00 0.00 66.70 67.48 2jsc h VAL 51 Cb 0.73 0.62 -0.01 0.00 -1.52 0.00 0.00 31.29 31.11 2jsc h VAL 51 CO 0.06 0.00 -0.43 0.77 0.02 0.00 0.00 177.57 177.99 2jsc h SER 52 N -0.33 0.00 -0.60 0.57 4.64 -0.66 -3.13 113.55 114.04 2jsc h SER 52 Ca 0.02 0.00 0.12 0.00 -0.47 0.00 0.00 61.79 61.46 2jsc h SER 52 Cb 0.34 0.00 -0.10 0.00 -0.31 0.00 0.00 62.40 62.33 2jsc h SER 52 CO -0.08 0.43 -0.01 -1.13 -0.87 0.00 0.00 176.83 175.16 2jsc h ASN 53 N 0.00 -0.29 1.71 4.97 -0.73 -1.09 -0.90 115.58 119.25 2jsc h ASN 53 Ca -0.00 0.15 0.00 0.00 1.87 0.00 0.00 56.30 58.32 2jsc h ASN 53 Cb 0.97 0.27 0.00 0.00 0.27 0.00 0.00 38.32 39.82 2jsc h ASN 53 CO 0.06 -0.11 0.00 0.45 -0.37 0.00 0.00 177.43 177.45 2jsc h HIS 54 N 0.11 0.00 0.00 0.67 3.86 -1.62 -3.12 115.15 115.05 2jsc h HIS 54 Ca 0.31 0.00 -0.02 0.00 -1.16 0.00 0.00 60.37 59.50 2jsc h HIS 54 Cb 0.49 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 28.96 2jsc h HIS 54 CO -0.37 0.00 -0.08 -0.07 0.86 0.00 0.00 177.93 178.27 2jsc h LEU 55 N 0.00 0.00 0.28 2.43 3.38 -1.12 -3.12 115.31 117.16 2jsc h LEU 55 Ca 0.00 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 2jsc h LEU 55 Cb 0.86 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.61 2jsc h LEU 55 CO 0.00 0.08 -0.14 -1.28 0.09 0.00 0.00 178.44 177.19 2jsc h SER 56 N 0.00 -0.32 0.00 -0.43 0.87 -1.44 -2.18 113.55 110.04 2jsc h SER 56 Ca -0.00 -0.10 0.00 0.00 -1.23 0.00 0.00 61.79 60.46 2jsc h SER 56 Cb 0.60 0.08 0.00 0.00 -0.44 0.00 0.00 62.40 62.64 2jsc h SER 56 CO 0.01 -0.09 0.00 0.00 -0.53 0.00 0.00 176.83 176.22 2jsc n LEU 58 N -0.35 1.36 0.11 0.00 7.94 -1.13 -4.42 117.00 120.51 2jsc n LEU 58 Ca 0.00 0.23 0.01 0.00 -1.11 0.00 0.00 56.01 55.14 2jsc n LEU 58 Cb 0.07 -0.55 -0.01 0.00 0.53 0.00 0.00 43.42 43.46 2jsc n LEU 58 CO 0.00 0.20 0.30 0.03 -1.11 0.00 0.00 177.39 176.80 2jsc h ARG 59 N -0.65 0.00 0.01 1.96 3.08 -1.34 -1.10 114.38 116.34 2jsc h ARG 59 Ca -0.36 0.00 -0.32 0.00 0.07 0.00 0.00 59.98 59.37 2jsc h ARG 59 Cb 1.24 0.00 -0.05 0.00 0.08 0.00 0.00 29.97 31.23 2jsc h ARG 59 CO -0.22 0.52 -1.91 0.41 -1.07 0.00 0.00 179.97 177.71 2jsc n GLY 60 N 1.27 -0.95 0.05 0.04 0.00 -1.14 -4.05 105.19 100.42 2jsc n GLY 60 Ca -0.00 -0.13 0.14 0.00 0.00 0.00 0.00 46.02 46.03 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 1.31 1.04 0.34 0.00 0.00 -0.93 -4.94 105.19 102.01 2jsc n GLY 62 Ca 0.13 0.00 0.18 0.00 0.00 0.00 0.00 46.02 46.34 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 0.00 0.00 -7.78 0.99 3.38 -1.54 -3.41 115.31 106.95 2jsc h LEU 63 Ca 0.00 0.00 -0.15 0.00 0.09 0.00 0.00 57.88 57.82 2jsc h LEU 63 Cb 0.00 0.00 -0.21 0.00 0.09 0.00 0.00 40.66 40.54 2jsc h LEU 63 CO 0.00 0.00 -0.52 0.68 0.09 0.00 0.00 178.44 178.69 2jsc s VAL 64 N -4.33 0.09 0.01 1.22 -7.23 -1.09 -1.02 120.40 108.04 2jsc s VAL 64 Ca -0.04 -0.71 0.06 0.00 -1.81 0.00 0.00 61.98 59.48 2jsc s VAL 64 Cb 0.13 -0.40 -0.03 0.00 0.56 0.00 0.00 36.38 36.64 2jsc s VAL 64 CO 0.43 -0.39 -0.17 -0.69 -0.31 0.00 0.00 175.10 173.97 2jsc s VAL 65 N -1.36 2.85 -0.25 1.32 1.01 0.47 -4.40 120.40 120.05 2jsc s VAL 65 Ca -0.15 -1.02 -0.11 0.00 0.00 0.00 0.00 61.98 60.70 2jsc s VAL 65 Cb -0.08 -2.16 -0.05 0.00 0.00 0.00 0.00 36.38 34.09 2jsc s VAL 65 CO 0.01 0.44 0.20 0.00 0.00 0.00 0.00 175.10 175.75 2jsc s ALA 66 N -0.85 3.58 0.26 5.51 0.00 -1.26 -1.03 121.76 127.98 2jsc s ALA 66 Ca 0.13 -0.91 0.08 0.00 0.00 0.00 0.00 51.96 51.27 2jsc s ALA 66 Cb -0.11 -2.42 -0.05 0.00 0.00 0.00 0.00 23.12 20.54 2jsc s ALA 66 CO 0.03 -0.34 -0.11 0.95 0.00 0.00 0.00 175.76 176.29 2jsc s THR 67 N 1.35 1.88 -0.17 0.00 -4.23 -0.89 -4.96 115.64 108.63 2jsc s THR 67 Ca 0.09 -2.21 -0.18 0.00 -1.18 0.00 0.00 61.69 58.21 2jsc s THR 67 Cb -0.14 -2.32 -0.04 0.00 1.34 0.00 0.00 72.50 71.34 2jsc s THR 67 CO 0.07 -0.40 0.50 -0.47 -0.54 0.00 0.00 174.62 173.78 2jsc s TYR 68 N -2.87 3.43 -2.32 3.99 5.04 -1.26 -0.49 117.35 122.86 2jsc s TYR 68 Ca 0.28 0.81 0.22 0.00 -2.44 0.00 0.00 57.07 55.94 2jsc s TYR 68 Cb 0.01 -2.62 0.73 0.00 0.35 0.00 0.00 41.96 40.43 2jsc s TYR 68 CO 0.11 0.01 1.54 -0.85 -1.34 0.00 0.00 175.55 175.02 2jsc n GLU 69 N 4.33 1.81 0.00 4.97 -0.00 0.19 -4.93 120.64 127.01 2jsc n GLU 69 Ca -0.06 -1.21 0.00 0.00 -0.00 0.00 0.00 57.16 55.89 2jsc n GLU 69 Cb 0.51 -1.41 0.00 0.00 -0.00 0.00 0.00 31.44 30.54 2jsc n GLU 69 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 2jsc n GLY 70 N 1.17 1.98 0.57 -1.84 0.00 -1.26 -4.83 105.19 100.98 2jsc n GLY 70 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.19 2jsc n GLY 70 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2jsc n ARG 71 N -1.08 0.00 -4.20 1.61 3.00 -1.26 -5.14 116.66 109.60 2jsc n ARG 71 Ca 0.00 0.00 -0.12 0.00 -0.00 0.00 0.00 57.85 57.73 2jsc n ARG 71 Cb 0.00 -0.68 -0.10 0.00 0.00 0.00 0.00 32.46 31.68 2jsc n ARG 71 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.63 176.49 2jsc s GLN 72 N -1.94 1.16 0.28 -0.14 2.00 -1.26 -5.16 119.66 114.60 2jsc s GLN 72 Ca 0.00 -1.60 -0.22 0.00 -2.00 0.00 0.00 55.36 51.54 2jsc s GLN 72 Cb 0.00 0.23 -0.09 0.00 0.80 0.00 0.00 33.01 33.95 2jsc s GLN 72 CO 0.00 -0.36 0.82 0.54 -0.50 0.00 0.00 175.29 175.79 2jsc s VAL 73 N -4.12 4.43 0.30 1.34 0.11 -1.26 -0.63 120.40 120.57 2jsc s VAL 73 Ca 0.36 1.48 0.03 0.00 -2.93 0.00 0.00 61.98 60.91 2jsc s VAL 73 Cb 0.07 -3.88 -0.04 0.00 -1.53 0.00 0.00 36.38 31.00 2jsc s VAL 73 CO 0.10 0.12 0.13 0.00 -3.33 0.00 0.00 175.10 172.13 2jsc s ARG 74 N -2.14 1.56 -0.13 1.54 1.70 0.35 -3.89 118.95 117.94 2jsc s ARG 74 Ca 0.48 -1.88 0.02 0.00 -0.47 0.00 0.00 55.73 53.88 2jsc s ARG 74 Cb -0.16 -0.23 0.01 0.00 -0.57 0.00 0.00 34.95 34.00 2jsc s ARG 74 CO 0.21 -0.39 -0.18 0.71 -1.08 0.00 0.00 175.30 174.57 2jsc s TYR 75 N -3.62 2.31 0.02 5.89 2.02 -1.26 -2.10 117.35 120.62 2jsc s TYR 75 Ca 0.36 -1.16 0.07 0.00 -0.37 0.00 0.00 57.07 55.97 2jsc s TYR 75 Cb 0.06 -1.62 -0.02 0.00 -0.40 0.00 0.00 41.96 39.98 2jsc s TYR 75 CO 0.16 -0.56 -0.22 0.00 -1.57 0.00 0.00 175.55 173.36 2jsc s ALA 76 N 0.96 1.83 0.41 3.71 0.00 -0.20 -4.42 121.76 124.06 2jsc s ALA 76 Ca -0.05 -1.04 -0.24 0.00 0.00 0.00 0.00 51.96 50.62 2jsc s ALA 76 Cb -0.15 -0.40 -0.11 0.00 0.00 0.00 0.00 23.12 22.47 2jsc s ALA 76 CO -0.03 0.43 0.98 -0.11 0.00 0.00 0.00 175.76 177.02 2jsc n LEU 77 N 2.07 2.39 -0.35 0.00 7.94 -1.26 -0.40 117.00 127.39 2jsc n LEU 77 Ca -0.16 1.03 0.24 0.00 -1.11 0.00 0.00 56.01 56.01 2jsc n LEU 77 Cb 0.53 -1.33 0.49 0.00 0.53 0.00 0.00 43.42 43.63 2jsc n LEU 77 CO 0.23 -1.58 1.16 0.00 -1.11 0.00 0.00 177.39 176.09 2jsc h ALA 78 N 1.50 2.07 -1.36 1.96 0.00 -1.30 -3.43 119.26 118.71 2jsc h ALA 78 Ca -0.44 0.15 0.33 0.00 0.00 0.00 0.00 54.91 54.95 2jsc h ALA 78 Cb 1.34 0.11 -0.14 0.00 0.00 0.00 0.00 17.79 19.11 2jsc h ALA 78 CO 0.57 -0.63 0.86 0.34 0.00 0.00 0.00 179.25 180.39 2jsc s ASP 79 N -4.96 -0.06 0.53 0.00 2.15 -1.26 -4.92 116.67 108.15 2jsc s ASP 79 Ca -0.10 -0.09 0.43 0.00 0.43 0.00 0.00 52.55 53.22 2jsc s ASP 79 Cb 0.29 0.13 1.63 0.00 -0.30 0.00 0.00 42.92 44.67 2jsc s ASP 79 CO 0.80 -0.23 1.62 0.77 -0.17 0.00 0.00 175.17 177.96 2jsc h SER 80 N 2.00 0.06 -0.09 -0.34 4.64 -1.98 -1.81 113.55 116.03 2jsc h SER 80 Ca -0.27 0.04 0.01 0.00 -0.47 0.00 0.00 61.79 61.10 2jsc h SER 80 Cb 1.19 0.03 -0.02 0.00 -0.31 0.00 0.00 62.40 63.29 2jsc h SER 80 CO 0.28 -0.05 -0.16 0.45 -0.87 0.00 0.00 176.83 176.47 2jsc h HIS 81 N 0.02 -0.50 -0.23 4.77 3.86 -1.98 0.32 115.15 121.41 2jsc h HIS 81 Ca 0.85 0.02 -0.11 0.00 -1.16 0.00 0.00 60.37 59.98 2jsc h HIS 81 Cb 3.23 0.23 -0.01 0.00 1.06 0.00 0.00 27.41 31.92 2jsc h HIS 81 CO -0.00 -0.15 -0.31 -0.07 0.86 0.00 0.00 177.93 178.26 2jsc h LEU 82 N -0.14 0.49 -1.29 2.43 3.38 -1.75 -3.02 115.31 115.42 2jsc h LEU 82 Ca 0.02 -0.18 -0.06 0.00 0.09 0.00 0.00 57.88 57.74 2jsc h LEU 82 Cb 0.19 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.79 2jsc h LEU 82 CO -0.16 0.78 -0.18 0.00 0.09 0.00 0.00 178.44 178.97 2jsc h ALA 83 N 1.26 1.41 0.31 1.53 0.00 -1.15 0.02 119.26 122.64 2jsc h ALA 83 Ca 0.05 -0.25 -0.02 0.00 0.00 0.00 0.00 54.91 54.70 2jsc h ALA 83 Cb 0.75 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.45 2jsc h ALA 83 CO 0.06 0.41 -0.15 0.00 0.00 0.00 0.00 179.25 179.57 2jsc h ARG 84 N 0.24 -0.40 0.00 0.00 2.47 -0.96 -1.01 114.38 114.72 2jsc h ARG 84 Ca 0.04 0.03 -0.03 0.00 -1.26 0.00 0.00 59.98 58.76 2jsc h ARG 84 Cb 0.47 0.09 -0.00 0.00 -1.65 0.00 0.00 29.97 28.87 2jsc h ARG 84 CO 0.03 -0.19 -0.16 0.00 0.56 0.00 0.00 179.97 180.21 2jsc h ALA 85 N -0.96 1.58 0.06 0.04 0.00 -1.38 1.00 119.26 119.60 2jsc h ALA 85 Ca -0.04 -0.14 -0.29 0.00 0.00 0.00 0.00 54.91 54.44 2jsc h ALA 85 Cb 0.39 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.13 2jsc h ALA 85 CO 0.07 0.20 -1.53 1.25 0.00 0.00 0.00 179.25 179.23 2jsc h LEU 86 N 0.00 0.19 -1.07 0.00 6.46 -1.15 -3.31 115.31 116.43 2jsc h LEU 86 Ca -0.00 -0.30 -0.09 0.00 -0.12 0.00 0.00 57.88 57.37 2jsc h LEU 86 Cb 0.31 -0.06 -0.01 0.00 -0.73 0.00 0.00 40.66 40.16 2jsc h LEU 86 CO 0.02 1.25 -0.36 1.23 -0.62 0.00 0.00 178.44 179.96 2jsc h GLY 87 N 2.49 0.20 2.00 3.75 0.00 -0.40 -0.61 103.07 110.51 2jsc h GLY 87 Ca -0.23 -0.18 -0.01 0.00 0.00 0.00 0.00 47.33 46.91 2jsc h GLY 87 CO 0.12 0.16 -0.04 -2.09 0.00 0.00 0.00 176.54 174.69 2jsc h GLU 88 N 0.16 0.00 -0.16 4.80 4.57 -0.98 -3.49 114.58 119.48 2jsc h GLU 88 Ca 0.02 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.20 2jsc h GLU 88 Cb 0.73 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.32 2jsc h GLU 88 CO 0.05 0.04 0.00 -0.11 -1.18 0.00 0.00 179.01 177.82 2jsc n LEU 89 N -3.52 -1.83 0.00 1.64 7.94 -0.23 -4.81 117.00 116.18 2jsc n LEU 89 Ca -0.02 0.00 0.02 0.00 -1.11 0.00 0.00 56.01 54.89 2jsc n LEU 89 Cb 0.16 0.60 0.10 0.00 0.53 0.00 0.00 43.42 44.80 2jsc n LEU 89 CO 0.27 0.00 0.27 0.52 -1.11 0.00 0.00 177.39 177.33 2jsc n VAL 90 N -0.13 0.00 0.00 1.96 0.31 -1.25 -4.76 118.33 114.46 2jsc n VAL 90 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 2jsc n VAL 90 Cb 0.00 -0.58 0.00 0.00 -0.91 0.00 0.00 33.84 32.35 2jsc n VAL 90 CO 0.00 0.00 0.00 1.67 -1.32 0.00 0.00 176.83 177.18 2jsc n GLN 91 N -0.71 0.00 -0.05 5.55 -0.06 -1.26 -4.75 117.38 116.10 2jsc n GLN 91 Ca 0.03 0.00 0.00 0.00 -2.00 0.00 0.00 57.00 55.03 2jsc n GLN 91 Cb 0.01 -0.19 0.00 0.00 -4.06 0.00 0.00 30.24 26.00 2jsc n GLN 91 CO 0.00 0.00 0.00 1.55 -0.20 0.00 0.00 177.06 178.41 2jsc n VAL 92 N -0.63 0.30 -0.88 1.69 3.14 -1.26 -4.68 118.33 116.02 2jsc n VAL 92 Ca 0.00 -0.05 0.00 0.00 -2.96 0.00 0.00 64.34 61.33 2jsc n VAL 92 Cb 0.00 -0.86 0.00 0.00 -1.06 0.00 0.00 33.84 31.92 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 1.43 0.00 -0.16 1.55 0.31 -1.26 -3.62 118.33 116.58 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 0.10 -0.88 0.00 0.00 -0.91 0.00 0.00 33.84 32.15 2jsc n VAL 93 CO 0.00 0.00 0.00 -0.11 -1.32 0.00 0.00 176.83 175.40 2jsc n LEU 94 N 0.00 -0.34 -4.55 7.52 -0.00 -1.26 -4.98 117.00 113.39 2jsc n LEU 94 Ca 0.00 0.00 -0.31 0.00 -0.00 0.00 0.00 56.01 55.70 2jsc n LEU 94 Cb 0.40 -0.17 -0.04 0.00 -0.00 0.00 0.00 43.42 43.61 2jsc n LEU 94 CO 0.00 0.00 1.64 0.00 -0.00 0.00 0.00 177.39 179.03 2jsc s ALA 95 N 0.00 1.61 0.53 1.96 0.00 -1.24 -4.96 121.76 119.65 2jsc s ALA 95 Ca 0.00 -0.57 -0.21 0.00 0.00 0.00 0.00 51.96 51.18 2jsc s ALA 95 Cb 0.00 -4.41 -0.08 0.00 0.00 0.00 0.00 23.12 18.63 2jsc s ALA 95 CO 0.00 -4.64 0.89 0.28 0.00 0.00 0.00 175.76 172.30 2jsc n VAL 96 N 7.90 2.92 0.14 0.00 0.31 -1.26 -4.76 118.33 123.58 2jsc n VAL 96 Ca 0.34 -0.50 0.00 0.00 -0.01 0.00 0.00 64.34 64.17 2jsc n VAL 96 Cb 0.51 -1.06 0.00 0.00 -0.91 0.00 0.00 33.84 32.38 2jsc n VAL 96 CO 0.00 0.00 0.00 0.47 -1.32 0.00 0.00 176.83 175.98 2jsc n ASP 97 N -0.02 1.87 -4.71 4.52 9.92 -1.26 -4.83 116.55 122.04 2jsc n ASP 97 Ca 0.12 -1.25 -0.35 0.00 -0.53 0.00 0.00 54.79 52.77 2jsc n ASP 97 Cb 0.44 -0.36 -0.08 0.00 -0.64 0.00 0.00 41.12 40.48 2jsc n ASP 97 CO 0.00 0.00 0.00 0.42 0.13 0.00 0.00 177.20 177.75 2jsc s THR 98 N 0.79 5.34 0.13 -3.53 -4.23 -1.26 -5.02 115.64 107.86 2jsc s THR 98 Ca 0.00 0.17 0.07 0.00 -1.18 0.00 0.00 61.69 60.75 2jsc s THR 98 Cb 0.00 -3.45 -0.04 0.00 1.34 0.00 0.00 72.50 70.36 2jsc s THR 98 CO 0.00 0.42 -0.16 -0.62 -0.54 0.00 0.00 174.62 173.72 2jsc s ASP 99 N 0.49 2.29 -0.04 3.99 2.15 -1.26 -5.12 116.67 119.18 2jsc s ASP 99 Ca 0.07 -0.80 -0.30 0.00 0.43 0.00 0.00 52.55 51.96 2jsc s ASP 99 Cb -0.12 -0.11 0.11 0.00 -0.30 0.00 0.00 42.92 42.51 2jsc s ASP 99 CO -0.01 -0.07 1.05 -1.58 -0.17 0.00 0.00 175.17 174.39 2jsc s GLN 100 N -2.54 0.67 0.73 4.34 0.74 -1.26 -5.16 119.66 117.18 2jsc s GLN 100 Ca 0.10 -0.29 -0.14 0.00 0.05 0.00 0.00 55.36 55.07 2jsc s GLN 100 Cb -0.06 0.28 0.04 0.00 1.10 0.00 0.00 33.01 34.36 2jsc s GLN 100 CO 0.04 -0.30 1.17 -1.25 -0.55 0.00 0.00 175.29 174.40 2jsc s PRO 101 N -2.84 2.25 0.00 1.67 0.04 -1.26 -5.05 135.00 129.80 2jsc s PRO 101 Ca 0.09 1.61 0.00 0.00 0.04 0.00 0.00 61.00 62.74 2jsc s PRO 101 Cb -0.00 -1.86 0.00 0.00 0.04 0.00 0.00 34.50 32.68 2jsc s PRO 101 CO -0.05 -1.72 0.00 0.00 0.04 0.00 0.00 177.00 175.27 2jsc n VAL 103 N 0.00 -4.29 0.00 0.00 0.31 -1.26 -1.75 118.33 111.33 2jsc n VAL 103 Ca 0.00 -0.64 0.00 0.00 -0.01 0.00 0.00 64.34 63.69 2jsc n VAL 103 Cb 0.00 -3.47 0.00 0.00 -0.91 0.00 0.00 33.84 29.46 2jsc n VAL 103 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2jsc n ALA 104 N -4.29 0.00 -0.57 3.52 0.00 -1.26 -5.02 120.51 112.89 2jsc n ALA 104 Ca -0.25 0.00 -0.29 0.00 0.00 0.00 0.00 53.44 52.90 2jsc n ALA 104 Cb 0.66 -0.05 0.23 0.00 0.00 0.00 0.00 19.45 20.29 2jsc n ALA 104 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 2jsc s GLU 105 N 0.00 -0.52 0.00 0.00 2.02 -0.72 -5.18 118.70 114.30 2jsc s GLU 105 Ca 0.00 1.01 0.00 0.00 0.02 0.00 0.00 54.97 56.00 2jsc s GLU 105 Cb 0.00 -1.59 0.00 0.00 0.10 0.00 0.00 34.13 32.64 2jsc s GLU 105 CO 0.00 -3.51 0.00 0.54 0.02 0.00 0.00 175.26 172.31