#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jsc n LEU 11 N 0.00 2.33 -0.30 0.00 7.99 -1.26 -4.65 117.00 121.12 2jsc n LEU 11 Ca 0.00 -0.10 0.11 0.00 -0.01 0.00 0.00 56.01 56.02 2jsc n LEU 11 Cb 0.00 -0.54 0.35 0.00 -0.11 0.00 0.00 43.42 43.12 2jsc n LEU 11 CO 0.00 0.80 1.22 0.00 -1.51 0.00 0.00 177.39 177.90 2jsc h ALA 12 N 0.20 1.77 -0.21 -1.18 0.00 -2.07 -0.57 119.26 117.20 2jsc h ALA 12 Ca -0.51 0.02 0.06 0.00 0.00 0.00 0.00 54.91 54.48 2jsc h ALA 12 Cb 1.87 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 19.52 2jsc h ALA 12 CO -0.06 -0.03 0.36 0.07 0.00 0.00 0.00 179.25 179.59 2jsc h ARG 13 N 0.75 0.00 -0.86 0.00 -0.00 -2.02 -1.23 114.38 111.03 2jsc h ARG 13 Ca 0.48 0.00 0.08 0.00 -0.00 0.00 0.00 59.98 60.54 2jsc h ARG 13 Cb 0.72 0.00 -0.07 0.00 -0.00 0.00 0.00 29.97 30.62 2jsc h ARG 13 CO -0.24 0.00 0.52 1.25 -0.00 0.00 0.00 179.97 181.50 2jsc h LEU 14 N 0.00 0.78 -1.16 0.08 7.12 -1.41 0.15 115.31 120.88 2jsc h LEU 14 Ca 0.10 0.03 -0.04 0.00 0.13 0.00 0.00 57.88 58.10 2jsc h LEU 14 Cb 0.82 -0.13 -0.02 0.00 -0.53 0.00 0.00 40.66 40.80 2jsc h LEU 14 CO -0.00 0.47 0.11 1.23 -0.13 0.00 0.00 178.44 180.12 2jsc h GLY 15 N 0.90 0.75 0.73 3.75 0.00 -1.42 0.30 103.07 108.08 2jsc h GLY 15 Ca 0.40 -0.41 -0.08 0.00 0.00 0.00 0.00 47.33 47.23 2jsc h GLY 15 CO -0.21 0.39 -0.25 -0.09 0.00 0.00 0.00 176.54 176.38 2jsc h ARG 16 N 0.67 0.38 0.00 4.80 1.12 -1.58 -2.83 114.38 116.94 2jsc h ARG 16 Ca 0.15 -0.25 -0.02 0.00 -1.11 0.00 0.00 59.98 58.76 2jsc h ARG 16 Cb 0.26 0.03 -0.00 0.00 -0.01 0.00 0.00 29.97 30.25 2jsc h ARG 16 CO -0.00 0.85 -0.08 0.00 -3.11 0.00 0.00 179.97 177.63 2jsc h ALA 17 N 0.52 1.28 0.00 2.80 0.00 -0.06 -0.94 119.26 122.87 2jsc h ALA 17 Ca 0.00 -0.07 -0.19 0.00 0.00 0.00 0.00 54.91 54.65 2jsc h ALA 17 Cb 0.85 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.60 2jsc h ALA 17 CO 0.06 0.10 -1.01 -0.07 0.00 0.00 0.00 179.25 178.33 2jsc h LEU 18 N 0.00 0.00 -6.12 0.00 4.07 -1.01 -3.39 115.31 108.86 2jsc h LEU 18 Ca -0.00 0.00 -0.74 0.00 0.08 0.00 0.00 57.88 57.22 2jsc h LEU 18 Cb 0.26 0.00 -0.12 0.00 1.08 0.00 0.00 40.66 41.88 2jsc h LEU 18 CO 0.01 0.84 2.36 0.00 -1.08 0.00 0.00 178.44 180.57 2jsc n ALA 19 N -2.35 5.85 -3.31 1.53 0.00 -0.36 -4.63 120.51 117.25 2jsc n ALA 19 Ca -0.03 -4.17 -0.13 0.00 0.00 0.00 0.00 53.44 49.12 2jsc n ALA 19 Cb 0.90 -3.02 -0.13 0.00 0.00 0.00 0.00 19.45 17.19 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 1.09 -0.12 0.00 0.00 2.15 -1.25 -4.89 116.67 113.65 2jsc s ASP 20 Ca 0.45 0.28 0.00 0.00 0.43 0.00 0.00 52.55 53.71 2jsc s ASP 20 Cb 0.13 0.23 0.00 0.00 -0.30 0.00 0.00 42.92 42.98 2jsc s ASP 20 CO -0.03 -0.09 0.00 -0.81 -0.17 0.00 0.00 175.17 174.07 2jsc n PRO 21 N 3.51 0.00 0.03 4.34 -0.04 -1.26 -1.78 135.00 139.80 2jsc n PRO 21 Ca -0.18 0.00 0.16 0.00 -0.04 0.00 0.00 63.50 63.44 2jsc n PRO 21 Cb 0.56 0.00 0.64 0.00 -0.04 0.00 0.00 33.50 34.66 2jsc n PRO 21 CO 0.00 0.00 0.00 1.15 -0.04 0.00 0.00 175.50 176.61 2jsc h THR 22 N 0.00 0.82 -0.90 0.52 2.02 -2.01 -1.07 112.91 112.30 2jsc h THR 22 Ca 0.00 -0.03 0.19 0.00 0.77 0.00 0.00 66.41 67.34 2jsc h THR 22 Cb 0.00 0.73 -0.11 0.00 -1.74 0.00 0.00 68.15 67.03 2jsc h THR 22 CO 0.00 0.01 0.46 -0.09 0.37 0.00 0.00 175.52 176.27 2jsc h ARG 23 N 0.08 0.54 -0.68 6.66 2.43 -1.93 -1.12 114.38 120.36 2jsc h ARG 23 Ca 0.21 -0.03 0.03 0.00 -0.81 0.00 0.00 59.98 59.38 2jsc h ARG 23 Cb 0.73 -0.12 -0.04 0.00 -0.42 0.00 0.00 29.97 30.12 2jsc h ARG 23 CO -0.02 0.36 0.43 0.00 -1.51 0.00 0.00 179.97 179.23 2jsc h ARG 25 N 0.83 0.00 0.32 0.00 9.65 -1.33 -1.32 114.38 122.53 2jsc h ARG 25 Ca 0.27 0.00 -0.02 0.00 -1.10 0.00 0.00 59.98 59.14 2jsc h ARG 25 Cb 0.01 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 28.60 2jsc h ARG 25 CO -0.10 0.17 -0.15 0.82 2.80 0.00 0.00 179.97 183.51 2jsc h ILE 26 N 0.00 0.71 -0.95 1.20 2.04 -0.57 -2.31 117.51 117.64 2jsc h ILE 26 Ca -0.00 -0.24 0.01 0.00 1.00 0.00 0.00 64.86 65.63 2jsc h ILE 26 Cb 0.32 0.84 -0.05 0.00 -0.74 0.00 0.00 36.82 37.19 2jsc h ILE 26 CO 0.02 0.05 0.62 -0.07 0.00 0.00 0.00 178.15 178.77 2jsc h LEU 27 N -0.55 1.10 -1.28 1.44 3.38 -0.71 -0.59 115.31 118.10 2jsc h LEU 27 Ca -0.04 -0.04 -0.07 0.00 0.09 0.00 0.00 57.88 57.82 2jsc h LEU 27 Cb 0.41 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.87 2jsc h LEU 27 CO 0.07 0.80 -0.32 1.62 0.09 0.00 0.00 178.44 180.70 2jsc h VAL 28 N 1.29 0.97 -0.02 1.22 3.04 -1.30 -1.63 116.25 119.82 2jsc h VAL 28 Ca 0.35 -1.22 0.00 0.00 -1.01 0.00 0.00 66.70 64.82 2jsc h VAL 28 Cb -0.13 1.71 0.00 0.00 -2.01 0.00 0.00 31.29 30.86 2jsc h VAL 28 CO -0.07 0.31 0.00 0.00 -1.01 0.00 0.00 177.57 176.80 2jsc n ALA 29 N -2.36 2.64 -0.01 3.17 0.00 -0.61 -2.84 120.51 120.50 2jsc n ALA 29 Ca -0.01 -0.24 0.10 0.00 0.00 0.00 0.00 53.44 53.28 2jsc n ALA 29 Cb 0.41 -1.37 -0.15 0.00 0.00 0.00 0.00 19.45 18.34 2jsc n ALA 29 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2jsc n LEU 30 N -0.66 0.00 -0.11 0.00 7.99 -0.33 -2.40 117.00 121.49 2jsc n LEU 30 Ca 0.20 -0.00 -0.11 0.00 -0.01 0.00 0.00 56.01 56.09 2jsc n LEU 30 Cb 0.15 0.00 -0.03 0.00 -0.11 0.00 0.00 43.42 43.43 2jsc n LEU 30 CO 0.15 0.00 0.74 -0.07 -1.51 0.00 0.00 177.39 176.71 2jsc h LEU 31 N 0.00 0.57 -7.03 2.23 3.38 -1.39 -3.36 115.31 109.71 2jsc h LEU 31 Ca 0.00 -0.34 -0.59 0.00 0.09 0.00 0.00 57.88 57.05 2jsc h LEU 31 Cb 0.87 -0.15 -0.40 0.00 0.09 0.00 0.00 40.66 41.06 2jsc h LEU 31 CO 0.00 0.77 -0.76 -0.62 0.09 0.00 0.00 178.44 177.92 2jsc s ASP 32 N -6.12 3.78 0.00 -0.43 2.15 -1.13 -4.97 116.67 109.95 2jsc s ASP 32 Ca -0.13 -1.97 0.00 0.00 0.43 0.00 0.00 52.55 50.87 2jsc s ASP 32 Cb 0.08 -0.84 0.00 0.00 -0.30 0.00 0.00 42.92 41.86 2jsc s ASP 32 CO 0.77 -0.36 0.00 0.61 -0.17 0.00 0.00 175.17 176.02 2jsc n GLY 33 N 4.39 -2.44 1.91 2.66 0.00 -1.01 -4.42 105.19 106.29 2jsc n GLY 33 Ca 0.02 0.82 -0.03 0.00 0.00 0.00 0.00 46.02 46.84 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 -0.34 -0.08 0.00 1.61 0.24 -1.24 -4.82 118.33 113.69 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 -0.39 0.00 0.00 -1.47 0.00 0.00 33.84 31.98 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 -0.35 0.57 0.48 0.00 2.02 -1.26 -4.05 117.35 114.76 2jsc s TYR 36 Ca 0.00 -1.03 0.34 0.00 -0.37 0.00 0.00 57.07 56.01 2jsc s TYR 36 Cb 0.00 -0.40 1.86 0.00 -0.40 0.00 0.00 41.96 43.02 2jsc s TYR 36 CO 0.00 -0.34 2.04 -1.00 -1.57 0.00 0.00 175.55 174.68 2jsc h PRO 37 N 3.17 0.00 -0.01 -1.71 0.13 -1.93 -0.45 132.00 131.20 2jsc h PRO 37 Ca -0.34 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.79 2jsc h PRO 37 Cb 1.15 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.28 2jsc h PRO 37 CO 0.65 0.00 -0.56 0.41 -0.23 0.00 0.00 178.00 178.27 2jsc n GLY 38 N -1.17 -0.44 0.17 1.56 0.00 -1.26 -4.63 105.19 99.42 2jsc n GLY 38 Ca -0.02 -0.56 0.02 0.00 0.00 0.00 0.00 46.02 45.46 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 1.42 0.00 0.00 1.61 -0.00 -1.47 -2.65 115.11 114.02 2jsc h GLN 39 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.65 2jsc h GLN 39 Cb 0.63 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 28.11 2jsc h GLN 39 CO 0.00 0.45 0.00 -0.07 -0.00 0.00 0.00 178.83 179.21 2jsc h LEU 40 N 0.00 0.00 -0.67 0.06 3.38 -1.82 -2.91 115.31 113.35 2jsc h LEU 40 Ca -0.00 0.00 0.11 0.00 0.09 0.00 0.00 57.88 58.07 2jsc h LEU 40 Cb 0.87 0.00 -0.08 0.00 0.09 0.00 0.00 40.66 41.54 2jsc h LEU 40 CO 0.06 0.00 0.27 0.00 0.09 0.00 0.00 178.44 178.86 2jsc h ALA 41 N 2.02 0.90 -0.25 1.53 0.00 -1.66 -0.68 119.26 121.12 2jsc h ALA 41 Ca 0.00 0.09 -0.17 0.00 0.00 0.00 0.00 54.91 54.83 2jsc h ALA 41 Cb 0.17 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.02 2jsc h ALA 41 CO 0.00 -0.17 -0.51 0.00 0.00 0.00 0.00 179.25 178.57 2jsc h ALA 42 N 1.46 0.40 0.00 0.00 0.00 -1.74 -0.47 119.26 118.91 2jsc h ALA 42 Ca 0.35 -0.50 -0.01 0.00 0.00 0.00 0.00 54.91 54.75 2jsc h ALA 42 Cb 0.45 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.17 2jsc h ALA 42 CO -0.33 0.59 -0.03 0.45 0.00 0.00 0.00 179.25 179.93 2jsc h HIS 43 N 0.54 0.00 0.00 0.00 -0.00 -1.48 -3.27 115.15 110.95 2jsc h HIS 43 Ca 0.01 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.38 2jsc h HIS 43 Cb 1.12 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 28.53 2jsc h HIS 43 CO 0.08 0.03 -0.79 1.28 -0.00 0.00 0.00 177.93 178.52 2jsc n LEU 44 N -3.25 0.10 0.00 2.43 4.77 -0.33 -5.01 117.00 115.72 2jsc n LEU 44 Ca -0.02 -0.22 0.00 0.00 -0.03 0.00 0.00 56.01 55.74 2jsc n LEU 44 Cb 0.18 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.27 2jsc n LEU 44 CO 0.25 0.03 0.00 0.61 -1.33 0.00 0.00 177.39 176.94 2jsc n GLY 45 N 1.73 0.46 3.98 -0.72 0.00 -0.21 -5.01 105.19 105.42 2jsc n GLY 45 Ca -0.00 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.83 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 3.38 0.47 0.99 1.43 -1.04 -5.01 118.68 118.91 2jsc s LEU 46 Ca 0.00 -0.67 -0.07 0.00 -1.03 0.00 0.00 54.13 52.36 2jsc s LEU 46 Cb 0.00 -2.15 -0.05 0.00 0.03 0.00 0.00 46.19 44.03 2jsc s LEU 46 CO 0.00 -0.91 0.80 0.42 0.23 0.00 0.00 176.35 176.89 2jsc s THR 47 N -2.49 4.85 0.55 5.49 -4.23 -1.26 -4.34 115.64 114.22 2jsc s THR 47 Ca 0.54 0.39 0.39 0.00 -1.18 0.00 0.00 61.69 61.83 2jsc s THR 47 Cb -0.07 -3.82 0.41 0.00 1.34 0.00 0.00 72.50 70.36 2jsc s THR 47 CO 0.32 -0.77 2.27 0.08 -0.54 0.00 0.00 174.62 175.99 2jsc h ARG 48 N 0.50 0.00 0.09 3.99 0.11 -1.91 0.16 114.38 117.31 2jsc h ARG 48 Ca -0.47 0.00 -0.00 0.00 0.10 0.00 0.00 59.98 59.61 2jsc h ARG 48 Cb 1.20 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.28 2jsc h ARG 48 CO 0.62 0.01 -0.04 0.66 0.10 0.00 0.00 179.97 181.33 2jsc h SER 49 N 0.00 -0.10 0.48 0.08 4.64 -1.95 -3.15 113.55 113.56 2jsc h SER 49 Ca -0.00 -0.50 -0.10 0.00 -0.47 0.00 0.00 61.79 60.72 2jsc h SER 49 Cb 0.11 0.03 -0.01 0.00 -0.31 0.00 0.00 62.40 62.21 2jsc h SER 49 CO 0.00 0.52 -0.49 0.78 -0.87 0.00 0.00 176.83 176.77 2jsc h ASN 50 N -0.79 0.01 0.34 4.97 4.21 -1.69 -0.22 115.58 122.40 2jsc h ASN 50 Ca -0.01 -0.00 -0.08 0.00 1.21 0.00 0.00 56.30 57.42 2jsc h ASN 50 Cb 0.59 -0.00 -0.01 0.00 -1.12 0.00 0.00 38.32 37.78 2jsc h ASN 50 CO 0.02 0.49 -0.36 0.58 -1.29 0.00 0.00 177.43 176.88 2jsc h VAL 51 N 0.00 1.26 0.00 2.81 2.07 -0.89 -3.25 116.25 118.26 2jsc h VAL 51 Ca -0.00 -1.24 0.00 0.00 0.82 0.00 0.00 66.70 66.27 2jsc h VAL 51 Cb 0.87 1.65 0.00 0.00 -1.52 0.00 0.00 31.29 32.29 2jsc h VAL 51 CO 0.06 0.36 0.00 0.28 0.02 0.00 0.00 177.57 178.29 2jsc h SER 52 N 0.02 0.00 0.36 0.57 0.02 -0.98 -2.63 113.55 110.91 2jsc h SER 52 Ca 0.00 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2jsc h SER 52 Cb 0.64 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 63.15 2jsc h SER 52 CO 0.05 0.00 -0.47 0.78 -1.14 0.00 0.00 176.83 176.05 2jsc h ASN 53 N 0.00 -1.33 1.26 3.07 -0.26 -1.60 -2.48 115.58 114.24 2jsc h ASN 53 Ca 0.00 0.12 0.00 0.00 -0.56 0.00 0.00 56.30 55.86 2jsc h ASN 53 Cb 0.42 0.46 0.00 0.00 -1.06 0.00 0.00 38.32 38.14 2jsc h ASN 53 CO 0.00 -0.60 0.00 1.41 -1.06 0.00 0.00 177.43 177.18 2jsc n HIS 54 N -5.52 0.91 0.19 1.19 8.25 -1.09 -2.50 115.22 116.65 2jsc n HIS 54 Ca -0.10 0.29 0.05 0.00 -0.26 0.00 0.00 57.72 57.70 2jsc n HIS 54 Cb 0.43 -0.97 0.36 0.00 1.12 0.00 0.00 29.99 30.92 2jsc n HIS 54 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 2jsc h LEU 55 N 0.00 0.00 -0.30 2.41 3.38 -1.28 -3.18 115.31 116.34 2jsc h LEU 55 Ca 0.00 0.00 0.01 0.00 0.09 0.00 0.00 57.88 57.98 2jsc h LEU 55 Cb 0.63 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.36 2jsc h LEU 55 CO 0.00 0.38 0.17 0.77 0.09 0.00 0.00 178.44 179.85 2jsc h SER 56 N 0.00 0.28 -0.03 -0.43 4.64 -1.14 -0.67 113.55 116.20 2jsc h SER 56 Ca -0.00 0.00 -0.20 0.00 -0.47 0.00 0.00 61.79 61.12 2jsc h SER 56 Cb 0.83 -0.06 0.00 0.00 -0.31 0.00 0.00 62.40 62.87 2jsc h SER 56 CO 0.05 0.20 -0.71 0.00 -0.87 0.00 0.00 176.83 175.50 2jsc h LEU 58 N 0.47 -0.28 -0.39 0.00 5.85 -1.45 0.14 115.31 119.65 2jsc h LEU 58 Ca -0.03 0.13 0.00 0.00 0.84 0.00 0.00 57.88 58.82 2jsc h LEU 58 Cb 1.32 0.24 0.00 0.00 0.37 0.00 0.00 40.66 42.59 2jsc h LEU 58 CO 0.14 -0.10 -0.25 0.54 -0.34 0.00 0.00 178.44 178.43 2jsc n ARG 59 N -5.27 0.71 -0.13 1.25 1.74 -0.29 -1.23 116.66 113.45 2jsc n ARG 59 Ca 0.06 -0.39 -0.19 0.00 -0.77 0.00 0.00 57.85 56.56 2jsc n ARG 59 Cb 0.28 -1.49 -0.11 0.00 -1.02 0.00 0.00 32.46 30.11 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 1.35 -0.36 0.00 -0.13 0.00 -0.84 -4.34 105.19 100.87 2jsc n GLY 60 Ca 0.12 -0.16 0.02 0.00 0.00 0.00 0.00 46.02 46.00 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 0.42 -0.52 0.12 0.00 0.00 -1.22 -4.87 105.19 99.12 2jsc n GLY 62 Ca 0.03 0.11 0.01 0.00 0.00 0.00 0.00 46.02 46.17 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 -1.20 0.00 -8.24 0.99 3.38 -1.46 -3.42 115.31 105.36 2jsc h LEU 63 Ca -0.51 0.00 -0.33 0.00 0.09 0.00 0.00 57.88 57.13 2jsc h LEU 63 Cb 1.36 0.00 -0.22 0.00 0.09 0.00 0.00 40.66 41.89 2jsc h LEU 63 CO 0.56 0.59 -0.75 0.68 0.09 0.00 0.00 178.44 179.61 2jsc s VAL 64 N -2.92 0.75 -0.03 1.22 -7.23 -0.99 -1.62 120.40 109.58 2jsc s VAL 64 Ca 0.02 -1.11 0.03 0.00 -1.81 0.00 0.00 61.98 59.12 2jsc s VAL 64 Cb 0.08 -0.76 -0.00 0.00 0.56 0.00 0.00 36.38 36.26 2jsc s VAL 64 CO 0.77 -0.29 -0.13 -0.69 -0.31 0.00 0.00 175.10 174.45 2jsc s VAL 65 N -1.26 1.11 0.47 1.32 1.01 0.43 -4.48 120.40 119.00 2jsc s VAL 65 Ca -0.06 -0.54 -0.22 0.00 0.00 0.00 0.00 61.98 61.16 2jsc s VAL 65 Cb -0.10 -0.96 -0.08 0.00 0.00 0.00 0.00 36.38 35.24 2jsc s VAL 65 CO 0.01 0.33 1.09 0.00 0.00 0.00 0.00 175.10 176.53 2jsc s ALA 66 N 0.09 2.91 0.19 5.51 0.00 -1.26 -1.47 121.76 127.72 2jsc s ALA 66 Ca -0.03 0.75 -0.22 0.00 0.00 0.00 0.00 51.96 52.46 2jsc s ALA 66 Cb -0.10 -3.31 0.06 0.00 0.00 0.00 0.00 23.12 19.77 2jsc s ALA 66 CO 0.01 -0.46 0.63 0.99 0.00 0.00 0.00 175.76 176.93 2jsc s THR 67 N -1.76 0.00 0.08 0.00 2.01 -0.85 -4.97 115.64 110.16 2jsc s THR 67 Ca 0.65 -0.28 -0.21 0.00 0.31 0.00 0.00 61.69 62.16 2jsc s THR 67 Cb -0.22 -1.28 -0.07 0.00 0.01 0.00 0.00 72.50 70.95 2jsc s THR 67 CO 0.27 -0.00 0.64 -0.47 -0.69 0.00 0.00 174.62 174.36 2jsc s TYR 68 N -3.80 3.81 -0.39 4.92 5.04 -1.26 -0.14 117.35 125.53 2jsc s TYR 68 Ca 0.04 1.36 0.23 0.00 -2.44 0.00 0.00 57.07 56.26 2jsc s TYR 68 Cb -0.02 -2.60 0.26 0.00 0.35 0.00 0.00 41.96 39.95 2jsc s TYR 68 CO -0.07 0.51 1.49 1.05 -1.34 0.00 0.00 175.55 177.19 2jsc h GLU 69 N 4.75 0.00 0.00 4.97 -0.00 -1.15 -3.45 114.58 119.70 2jsc h GLU 69 Ca -0.48 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 58.88 2jsc h GLU 69 Cb 1.21 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 29.96 2jsc h GLU 69 CO 0.66 0.02 0.00 0.41 -0.00 0.00 0.00 179.01 180.09 2jsc n GLY 70 N 1.12 4.15 0.09 1.06 0.00 -1.26 -4.88 105.19 105.47 2jsc n GLY 70 Ca 0.03 -0.68 -0.09 0.00 0.00 0.00 0.00 46.02 45.29 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 0.00 0.85 -4.38 1.61 0.63 -1.26 -5.06 116.66 109.04 2jsc n ARG 71 Ca 0.00 -0.02 -0.19 0.00 -0.92 0.00 0.00 57.85 56.72 2jsc n ARG 71 Cb 0.00 -1.49 -0.10 0.00 0.45 0.00 0.00 32.46 31.32 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 -2.50 1.56 0.19 -0.14 -1.52 -1.26 -5.16 119.66 110.83 2jsc s GLN 72 Ca -0.09 -1.87 -0.18 0.00 -1.95 0.00 0.00 55.36 51.27 2jsc s GLN 72 Cb 0.06 -0.47 -0.08 0.00 -0.22 0.00 0.00 33.01 32.30 2jsc s GLN 72 CO 0.79 -0.29 0.66 0.54 -0.25 0.00 0.00 175.29 176.74 2jsc s VAL 73 N -3.54 4.67 0.37 1.09 0.11 -1.26 -0.59 120.40 121.25 2jsc s VAL 73 Ca 0.36 1.13 0.03 0.00 -2.93 0.00 0.00 61.98 60.58 2jsc s VAL 73 Cb 0.07 -3.82 -0.04 0.00 -1.53 0.00 0.00 36.38 31.06 2jsc s VAL 73 CO 0.15 0.23 0.09 0.00 -3.33 0.00 0.00 175.10 172.24 2jsc s ARG 74 N -1.93 1.80 0.42 1.54 1.70 0.80 -4.03 118.95 119.25 2jsc s ARG 74 Ca 0.41 -2.06 0.07 0.00 -0.47 0.00 0.00 55.73 53.67 2jsc s ARG 74 Cb -0.16 -0.76 -0.06 0.00 -0.57 0.00 0.00 34.95 33.40 2jsc s ARG 74 CO 0.20 -0.34 0.09 0.71 -1.08 0.00 0.00 175.30 174.88 2jsc s TYR 75 N -3.25 2.48 -0.03 5.89 2.02 -1.26 -2.00 117.35 121.20 2jsc s TYR 75 Ca 0.29 -0.66 -0.29 0.00 -0.37 0.00 0.00 57.07 56.04 2jsc s TYR 75 Cb 0.05 -1.85 0.10 0.00 -0.40 0.00 0.00 41.96 39.87 2jsc s TYR 75 CO 0.14 0.30 0.83 0.00 -1.57 0.00 0.00 175.55 175.25 2jsc s ALA 76 N -2.68 -1.81 0.42 3.71 0.00 -0.54 -4.42 121.76 116.44 2jsc s ALA 76 Ca 0.35 1.16 -0.26 0.00 0.00 0.00 0.00 51.96 53.22 2jsc s ALA 76 Cb 0.07 0.08 -0.10 0.00 0.00 0.00 0.00 23.12 23.16 2jsc s ALA 76 CO 0.19 -0.52 1.27 -0.11 0.00 0.00 0.00 175.76 176.59 2jsc n LEU 77 N 0.26 4.01 -0.30 0.00 7.94 -1.26 -0.43 117.00 127.23 2jsc n LEU 77 Ca -0.13 1.11 0.02 0.00 -1.11 0.00 0.00 56.01 55.91 2jsc n LEU 77 Cb 0.60 -1.50 0.06 0.00 0.53 0.00 0.00 43.42 43.11 2jsc n LEU 77 CO 0.15 -0.64 0.52 0.00 -1.11 0.00 0.00 177.39 176.32 2jsc n ALA 78 N -0.18 2.51 0.00 1.96 0.00 -0.64 -4.68 120.51 119.49 2jsc n ALA 78 Ca 0.06 -0.24 0.00 0.00 0.00 0.00 0.00 53.44 53.27 2jsc n ALA 78 Cb 0.39 -0.99 0.00 0.00 0.00 0.00 0.00 19.45 18.85 2jsc n ALA 78 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 2jsc n ASP 79 N -0.10 0.00 -0.43 0.00 2.03 -1.26 -5.00 116.55 111.79 2jsc n ASP 79 Ca 0.04 0.00 0.41 0.00 0.52 0.00 0.00 54.79 55.76 2jsc n ASP 79 Cb 0.15 0.00 0.77 0.00 -0.72 0.00 0.00 41.12 41.32 2jsc n ASP 79 CO 0.00 0.00 0.00 0.77 -1.92 0.00 0.00 177.20 176.05 2jsc h SER 80 N 0.00 0.00 -0.02 1.67 4.64 -1.99 -1.79 113.55 116.06 2jsc h SER 80 Ca 0.00 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2jsc h SER 80 Cb 0.00 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.09 2jsc h SER 80 CO 0.00 0.00 0.01 0.45 -0.87 0.00 0.00 176.83 176.42 2jsc h HIS 81 N 0.00 0.03 -0.70 4.77 3.86 -2.00 -2.37 115.15 118.75 2jsc h HIS 81 Ca 0.67 -0.00 -0.00 0.00 -1.16 0.00 0.00 60.37 59.88 2jsc h HIS 81 Cb 2.72 -0.01 -0.03 0.00 1.06 0.00 0.00 27.41 31.15 2jsc h HIS 81 CO 0.00 0.12 0.42 -0.07 0.86 0.00 0.00 177.93 179.26 2jsc h LEU 82 N -0.06 0.84 -1.60 2.43 3.38 -1.72 -3.01 115.31 115.57 2jsc h LEU 82 Ca 0.01 -0.06 0.11 0.00 0.09 0.00 0.00 57.88 58.02 2jsc h LEU 82 Cb 0.10 -0.21 -0.04 0.00 0.09 0.00 0.00 40.66 40.59 2jsc h LEU 82 CO -0.00 0.65 0.43 0.00 0.09 0.00 0.00 178.44 179.61 2jsc h ALA 83 N 1.22 2.01 0.39 1.53 0.00 -1.29 -0.62 119.26 122.50 2jsc h ALA 83 Ca 0.25 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.13 2jsc h ALA 83 Cb -0.03 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.67 2jsc h ALA 83 CO -0.05 -0.16 -0.19 0.00 0.00 0.00 0.00 179.25 178.86 2jsc h ARG 84 N 0.45 -0.50 -0.42 0.00 3.08 -1.29 0.40 114.38 116.09 2jsc h ARG 84 Ca 0.30 0.03 -0.02 0.00 0.07 0.00 0.00 59.98 60.37 2jsc h ARG 84 Cb 0.59 0.11 -0.02 0.00 0.08 0.00 0.00 29.97 30.73 2jsc h ARG 84 CO -0.09 -0.34 0.20 0.00 -1.07 0.00 0.00 179.97 178.67 2jsc h ALA 85 N -1.21 1.56 -0.02 0.04 0.00 -1.51 0.17 119.26 118.29 2jsc h ALA 85 Ca -0.05 -0.09 -0.00 0.00 0.00 0.00 0.00 54.91 54.76 2jsc h ALA 85 Cb 0.40 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 18.02 2jsc h ALA 85 CO 0.09 0.36 0.01 1.25 0.00 0.00 0.00 179.25 180.96 2jsc h LEU 86 N 0.59 0.03 -0.52 0.00 5.85 -1.24 -1.77 115.31 118.25 2jsc h LEU 86 Ca 0.15 -0.12 -0.13 0.00 0.84 0.00 0.00 57.88 58.62 2jsc h LEU 86 Cb 0.07 -0.01 -0.01 0.00 0.37 0.00 0.00 40.66 41.08 2jsc h LEU 86 CO -0.02 0.15 -0.19 1.23 -0.34 0.00 0.00 178.44 179.27 2jsc h GLY 87 N -0.09 1.09 1.82 3.75 0.00 0.41 -1.40 103.07 108.66 2jsc h GLY 87 Ca 0.01 -0.94 0.00 0.00 0.00 0.00 0.00 47.33 46.40 2jsc h GLY 87 CO -0.00 0.86 0.00 -2.21 0.00 0.00 0.00 176.54 175.19 2jsc n GLU 88 N -4.12 0.04 -2.84 4.80 4.07 0.48 -4.87 120.64 118.20 2jsc n GLU 88 Ca 0.00 0.31 -0.14 0.00 -0.06 0.00 0.00 57.16 57.28 2jsc n GLU 88 Cb 0.45 -1.50 0.03 0.00 -0.06 0.00 0.00 31.44 30.36 2jsc n GLU 88 CO 0.00 0.00 0.00 -0.11 -0.06 0.00 0.00 177.13 176.96 2jsc n LEU 89 N -1.41 -2.41 0.00 4.31 7.94 -0.53 -3.33 117.00 121.57 2jsc n LEU 89 Ca 0.02 -0.22 0.00 0.00 -1.11 0.00 0.00 56.01 54.71 2jsc n LEU 89 Cb 0.07 -2.05 0.00 0.00 0.53 0.00 0.00 43.42 41.98 2jsc n LEU 89 CO 0.06 0.21 0.00 1.33 -1.11 0.00 0.00 177.39 177.88 2jsc n VAL 90 N -4.04 0.00 -0.20 1.96 0.24 -0.68 -4.16 118.33 111.46 2jsc n VAL 90 Ca -0.05 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.25 2jsc n VAL 90 Cb 0.57 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.94 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 -0.52 0.00 0.01 7.34 1.13 -1.21 -4.80 117.38 119.34 2jsc n GLN 91 Ca 0.00 0.00 0.05 0.00 -1.94 0.00 0.00 57.00 55.11 2jsc n GLN 91 Cb 0.00 -2.95 0.23 0.00 0.11 0.00 0.00 30.24 27.63 2jsc n GLN 91 CO 0.00 0.00 0.00 1.33 -1.44 0.00 0.00 177.06 176.95 2jsc n VAL 92 N -2.00 1.30 -2.40 5.09 0.24 -1.26 -4.88 118.33 114.43 2jsc n VAL 92 Ca 0.00 0.34 -0.01 0.00 -2.04 0.00 0.00 64.34 62.63 2jsc n VAL 92 Cb 0.00 -1.18 0.00 0.00 -1.47 0.00 0.00 33.84 31.19 2jsc n VAL 92 CO 0.00 0.00 0.00 0.52 -2.14 0.00 0.00 176.83 175.21 2jsc n VAL 93 N -1.56 -0.09 -1.61 3.34 0.31 -1.26 -4.53 118.33 112.92 2jsc n VAL 93 Ca 0.02 -0.00 -0.00 0.00 -0.01 0.00 0.00 64.34 64.35 2jsc n VAL 93 Cb 0.12 -1.82 -0.00 0.00 -0.91 0.00 0.00 33.84 31.22 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 -0.73 -2.47 -3.80 7.52 0.00 -1.26 -4.90 117.00 111.35 2jsc n LEU 94 Ca -0.00 0.19 -0.20 0.00 0.00 0.00 0.00 56.01 55.99 2jsc n LEU 94 Cb 0.50 -1.22 -0.06 0.00 0.00 0.00 0.00 43.42 42.64 2jsc n LEU 94 CO 0.02 -0.36 0.97 0.00 0.00 0.00 0.00 177.39 178.02 2jsc n ALA 95 N 0.12 0.39 -1.71 1.96 0.00 -1.26 -4.94 120.51 115.08 2jsc n ALA 95 Ca -0.02 -1.55 -0.43 0.00 0.00 0.00 0.00 53.44 51.44 2jsc n ALA 95 Cb 0.04 -1.79 -0.03 0.00 0.00 0.00 0.00 19.45 17.66 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 5.28 0.19 0.00 0.00 0.31 -1.26 -4.77 118.33 118.09 2jsc n VAL 96 Ca 0.22 -0.05 0.00 0.00 -0.01 0.00 0.00 64.34 64.50 2jsc n VAL 96 Cb 0.34 -1.87 0.00 0.00 -0.91 0.00 0.00 33.84 31.40 2jsc n VAL 96 CO 0.00 0.00 0.00 -0.67 -1.32 0.00 0.00 176.83 174.84 2jsc n ASP 97 N 3.51 0.00 -1.31 4.52 2.03 -1.26 -5.07 116.55 118.98 2jsc n ASP 97 Ca 0.15 0.46 0.00 0.00 0.52 0.00 0.00 54.79 55.92 2jsc n ASP 97 Cb 0.34 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.74 2jsc n ASP 97 CO 0.00 0.00 0.00 0.35 -1.92 0.00 0.00 177.20 175.63 2jsc n THR 98 N -0.49 -4.38 -2.76 5.18 -2.24 -1.26 -4.76 114.28 103.57 2jsc n THR 98 Ca 0.00 1.88 -0.43 0.00 -2.27 0.00 0.00 64.05 63.23 2jsc n THR 98 Cb 0.00 -2.70 -0.01 0.00 -2.10 0.00 0.00 70.33 65.52 2jsc n THR 98 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2jsc s ASP 99 N -2.07 6.82 0.06 3.42 2.15 -1.26 -4.91 116.67 120.88 2jsc s ASP 99 Ca 0.00 -2.38 0.04 0.00 0.43 0.00 0.00 52.55 50.64 2jsc s ASP 99 Cb 0.00 -2.49 -0.03 0.00 -0.30 0.00 0.00 42.92 40.11 2jsc s ASP 99 CO 0.00 -1.07 -0.10 -1.10 -0.17 0.00 0.00 175.17 172.72 2jsc s GLN 100 N 3.21 0.70 0.00 4.34 1.11 -1.26 -5.14 119.66 122.62 2jsc s GLN 100 Ca 0.45 -0.92 0.00 0.00 0.01 0.00 0.00 55.36 54.90 2jsc s GLN 100 Cb -0.01 -0.53 0.00 0.00 -1.01 0.00 0.00 33.01 31.47 2jsc s GLN 100 CO -0.01 0.10 0.00 -0.35 0.01 0.00 0.00 175.29 175.04 2jsc n PRO 101 N 1.19 0.00 -2.05 2.91 -0.04 -1.26 -4.94 135.00 130.82 2jsc n PRO 101 Ca -0.21 0.00 -0.40 0.00 -0.04 0.00 0.00 63.50 62.85 2jsc n PRO 101 Cb 0.55 0.00 -0.01 0.00 -0.04 0.00 0.00 33.50 34.00 2jsc n PRO 101 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2jsc n VAL 103 N 0.48 0.60 -0.11 0.00 0.24 -1.26 -4.12 118.33 114.17 2jsc n VAL 103 Ca 0.02 -0.80 -0.05 0.00 -2.04 0.00 0.00 64.34 61.46 2jsc n VAL 103 Cb 0.42 0.85 0.15 0.00 -1.47 0.00 0.00 33.84 33.78 2jsc n VAL 103 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2jsc h ALA 104 N 3.41 1.06 -0.57 2.33 0.00 -2.03 -3.18 119.26 120.29 2jsc h ALA 104 Ca 0.00 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.63 2jsc h ALA 104 Cb 0.83 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.43 2jsc h ALA 104 CO 0.00 0.58 0.00 0.39 0.00 0.00 0.00 179.25 180.22 2jsc n GLU 105 N -4.20 3.02 0.00 0.00 1.02 -1.26 -5.27 120.64 113.94 2jsc n GLU 105 Ca 0.02 -2.54 0.01 0.00 -0.02 0.00 0.00 57.16 54.63 2jsc n GLU 105 Cb 0.32 -1.57 0.07 0.00 -0.02 0.00 0.00 31.44 30.24 2jsc n GLU 105 CO 0.00 0.00 0.00 2.89 1.18 0.00 0.00 177.13 181.20