#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 0.35 0.00 0.00 5.85 -2.04 0.23 115.31 119.70 2jsc h LEU 11 Ca 0.00 0.09 0.00 0.00 0.84 0.00 0.00 57.88 58.81 2jsc h LEU 11 Cb 0.00 0.05 0.00 0.00 0.37 0.00 0.00 40.66 41.08 2jsc h LEU 11 CO 0.00 0.15 0.00 0.00 -0.34 0.00 0.00 178.44 178.25 2jsc n ALA 12 N -2.48 1.87 0.00 1.25 0.00 -1.26 -1.40 120.51 118.50 2jsc n ALA 12 Ca 0.14 -0.07 0.00 0.00 0.00 0.00 0.00 53.44 53.50 2jsc n ALA 12 Cb 0.38 -1.22 0.00 0.00 0.00 0.00 0.00 19.45 18.61 2jsc n ALA 12 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2jsc n ARG 13 N -1.18 0.48 0.06 0.00 1.74 -0.48 -4.17 116.66 113.12 2jsc n ARG 13 Ca 0.08 0.00 -0.14 0.00 -0.77 0.00 0.00 57.85 57.02 2jsc n ARG 13 Cb 0.08 -0.89 -0.08 0.00 -1.02 0.00 0.00 32.46 30.56 2jsc n ARG 13 CO 0.00 0.00 0.00 1.25 -1.52 0.00 0.00 177.63 177.36 2jsc h LEU 14 N 0.00 -1.40 -1.35 0.55 7.12 -0.61 -0.31 115.31 119.31 2jsc h LEU 14 Ca 0.00 0.17 -0.03 0.00 0.13 0.00 0.00 57.88 58.15 2jsc h LEU 14 Cb 0.78 0.54 -0.00 0.00 -0.53 0.00 0.00 40.66 41.45 2jsc h LEU 14 CO 0.00 -0.48 -0.14 1.23 -0.13 0.00 0.00 178.44 178.92 2jsc h GLY 15 N -0.61 0.00 1.18 3.75 0.00 -1.44 -2.29 103.07 103.66 2jsc h GLY 15 Ca 0.04 0.00 -0.14 0.00 0.00 0.00 0.00 47.33 47.23 2jsc h GLY 15 CO -0.33 0.00 -0.29 -0.09 0.00 0.00 0.00 176.54 175.83 2jsc h ARG 16 N 0.00 0.92 -0.30 4.80 2.43 -1.53 -0.23 114.38 120.46 2jsc h ARG 16 Ca -0.00 -0.42 -0.09 0.00 -0.81 0.00 0.00 59.98 58.65 2jsc h ARG 16 Cb 0.61 -0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 30.13 2jsc h ARG 16 CO 0.02 1.08 -0.20 0.00 -1.51 0.00 0.00 179.97 179.36 2jsc h ALA 17 N 0.89 1.09 -0.28 2.80 0.00 -0.52 -1.52 119.26 121.71 2jsc h ALA 17 Ca 0.09 -0.33 0.00 0.00 0.00 0.00 0.00 54.91 54.67 2jsc h ALA 17 Cb 0.86 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.51 2jsc h ALA 17 CO 0.08 0.56 0.00 1.28 0.00 0.00 0.00 179.25 181.17 2jsc n LEU 18 N -4.14 1.56 -0.44 0.00 4.32 -1.01 -3.24 117.00 114.05 2jsc n LEU 18 Ca 0.00 -0.78 0.05 0.00 -0.02 0.00 0.00 56.01 55.26 2jsc n LEU 18 Cb 0.39 -0.20 0.06 0.00 -1.62 0.00 0.00 43.42 42.05 2jsc n LEU 18 CO 0.42 0.38 0.46 0.00 -1.22 0.00 0.00 177.39 177.42 2jsc n ALA 19 N 0.32 2.41 -2.78 -1.18 0.00 -0.11 -4.93 120.51 114.24 2jsc n ALA 19 Ca 0.09 -0.70 -0.35 0.00 0.00 0.00 0.00 53.44 52.48 2jsc n ALA 19 Cb 0.25 -0.35 -0.09 0.00 0.00 0.00 0.00 19.45 19.26 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 -0.88 5.50 0.06 0.00 -1.08 -0.89 -5.02 116.67 114.35 2jsc s ASP 20 Ca 0.14 0.16 -0.26 0.00 -0.52 0.00 0.00 52.55 52.07 2jsc s ASP 20 Cb 0.09 -1.74 -0.13 0.00 -1.46 0.00 0.00 42.92 39.69 2jsc s ASP 20 CO 0.13 0.31 1.40 1.55 0.52 0.00 0.00 175.17 179.08 2jsc h PRO 21 N 5.69 -0.74 -0.50 4.34 0.13 -1.90 -1.10 132.00 137.93 2jsc h PRO 21 Ca -0.46 0.05 -0.02 0.00 -0.87 0.00 0.00 66.00 64.70 2jsc h PRO 21 Cb 1.19 0.17 -0.02 0.00 0.13 0.00 0.00 31.00 32.47 2jsc h PRO 21 CO 0.60 -0.49 0.23 1.15 -0.23 0.00 0.00 178.00 179.26 2jsc h THR 22 N -0.77 1.20 -0.39 1.56 2.02 -1.96 -2.55 112.91 112.01 2jsc h THR 22 Ca -0.05 -0.57 -0.13 0.00 0.77 0.00 0.00 66.41 66.42 2jsc h THR 22 Cb 0.65 0.66 -0.01 0.00 -1.74 0.00 0.00 68.15 67.70 2jsc h THR 22 CO -0.01 0.22 -0.28 0.03 0.37 0.00 0.00 175.52 175.86 2jsc h ARG 23 N 0.66 0.84 -0.10 6.66 3.08 -1.80 0.29 114.38 124.01 2jsc h ARG 23 Ca 0.17 -0.37 0.02 0.00 0.07 0.00 0.00 59.98 59.87 2jsc h ARG 23 Cb 0.14 -0.02 -0.02 0.00 0.08 0.00 0.00 29.97 30.15 2jsc h ARG 23 CO -0.02 1.01 -0.03 0.00 -1.07 0.00 0.00 179.97 179.87 2jsc h ARG 25 N 0.00 0.92 0.35 0.00 2.43 -1.10 -2.51 114.38 114.47 2jsc h ARG 25 Ca 0.05 -0.14 -0.01 0.00 -0.81 0.00 0.00 59.98 59.07 2jsc h ARG 25 Cb 0.07 -0.16 -0.02 0.00 -0.42 0.00 0.00 29.97 29.44 2jsc h ARG 25 CO -0.10 0.74 -0.43 0.82 -1.51 0.00 0.00 179.97 179.48 2jsc h ILE 26 N 0.90 0.00 -0.91 1.20 2.04 -0.10 -1.54 117.51 119.10 2jsc h ILE 26 Ca 0.22 0.00 0.08 0.00 1.00 0.00 0.00 64.86 66.16 2jsc h ILE 26 Cb 0.16 0.00 -0.07 0.00 -0.74 0.00 0.00 36.82 36.17 2jsc h ILE 26 CO -0.02 0.00 0.57 -0.07 0.00 0.00 0.00 178.15 178.62 2jsc h LEU 27 N -0.80 0.86 -0.16 1.44 3.38 -0.66 0.57 115.31 119.93 2jsc h LEU 27 Ca -0.04 0.03 -0.21 0.00 0.09 0.00 0.00 57.88 57.75 2jsc h LEU 27 Cb 0.72 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.31 2jsc h LEU 27 CO -0.10 0.52 -0.96 1.62 0.09 0.00 0.00 178.44 179.61 2jsc h VAL 28 N 0.98 1.54 -0.01 1.22 3.04 -1.50 -3.22 116.25 118.30 2jsc h VAL 28 Ca 0.42 -2.86 -0.09 0.00 -1.01 0.00 0.00 66.70 63.15 2jsc h VAL 28 Cb 0.29 2.63 -0.01 0.00 -2.01 0.00 0.00 31.29 32.18 2jsc h VAL 28 CO -0.21 0.83 -0.44 0.00 -1.01 0.00 0.00 177.57 176.74 2jsc h ALA 29 N 0.92 1.26 -0.48 3.17 0.00 -0.30 -3.16 119.26 120.68 2jsc h ALA 29 Ca -0.05 -0.40 -0.04 0.00 0.00 0.00 0.00 54.91 54.41 2jsc h ALA 29 Cb 1.63 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 19.33 2jsc h ALA 29 CO 0.14 0.55 0.12 1.25 0.00 0.00 0.00 179.25 181.32 2jsc h LEU 30 N 0.02 0.72 -1.39 0.00 5.85 -0.94 -2.02 115.31 117.55 2jsc h LEU 30 Ca -0.00 -0.23 0.38 0.00 0.84 0.00 0.00 57.88 58.87 2jsc h LEU 30 Cb 0.78 -0.19 -0.12 0.00 0.37 0.00 0.00 40.66 41.50 2jsc h LEU 30 CO 0.06 0.76 0.79 0.25 -0.34 0.00 0.00 178.44 179.95 2jsc h LEU 31 N 0.64 0.31 0.11 2.25 6.46 -1.57 0.38 115.31 123.88 2jsc h LEU 31 Ca 0.15 0.12 -0.36 0.00 -0.12 0.00 0.00 57.88 57.68 2jsc h LEU 31 Cb 0.31 0.09 -0.02 0.00 -0.73 0.00 0.00 40.66 40.31 2jsc h LEU 31 CO 0.00 -0.10 -1.96 -0.67 -0.62 0.00 0.00 178.44 175.09 2jsc n ASP 32 N -4.68 2.09 -0.00 1.25 -0.08 -1.13 -4.83 116.55 109.18 2jsc n ASP 32 Ca 0.33 0.21 -0.00 0.00 -1.51 0.00 0.00 54.79 53.83 2jsc n ASP 32 Cb 1.25 -0.85 -0.00 0.00 2.34 0.00 0.00 41.12 43.86 2jsc n ASP 32 CO 0.00 0.00 0.00 1.23 0.12 0.00 0.00 177.20 178.55 2jsc h GLY 33 N 0.92 0.00 -5.28 0.27 0.00 -0.54 -3.47 103.07 94.97 2jsc h GLY 33 Ca -0.43 0.00 -0.18 0.00 0.00 0.00 0.00 47.33 46.72 2jsc h GLY 33 CO 0.04 0.00 -0.26 3.33 0.00 0.00 0.00 176.54 179.65 2jsc n VAL 34 N -2.20 0.00 -0.03 4.60 0.24 0.03 -4.86 118.33 116.11 2jsc n VAL 34 Ca -0.00 0.00 -0.01 0.00 -2.04 0.00 0.00 64.34 62.29 2jsc n VAL 34 Cb 0.00 -0.14 -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 -1.45 -0.42 -0.01 0.00 -0.85 -1.26 -4.15 117.35 109.20 2jsc s TYR 36 Ca -0.03 0.34 -0.31 0.00 -0.52 0.00 0.00 57.07 56.55 2jsc s TYR 36 Cb 0.00 0.39 -0.09 0.00 0.38 0.00 0.00 41.96 42.64 2jsc s TYR 36 CO 0.05 -0.71 1.99 -0.35 -1.52 0.00 0.00 175.55 175.00 2jsc n PRO 37 N 0.08 2.65 -0.47 -3.49 -0.04 -1.25 -0.88 135.00 131.60 2jsc n PRO 37 Ca -0.17 0.95 0.00 0.00 -0.04 0.00 0.00 63.50 64.24 2jsc n PRO 37 Cb 0.62 -2.96 0.00 0.00 -0.04 0.00 0.00 33.50 31.12 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 4.67 0.74 0.31 0.55 0.00 -1.26 -4.94 105.19 105.26 2jsc n GLY 38 Ca 0.22 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.24 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 3.85 0.74 -0.14 1.61 -0.00 -1.42 -1.94 115.11 117.82 2jsc h GLN 39 Ca 0.00 -0.08 0.04 0.00 -0.00 0.00 0.00 58.65 58.61 2jsc h GLN 39 Cb 0.00 -0.15 -0.01 0.00 -0.00 0.00 0.00 27.48 27.33 2jsc h GLN 39 CO 0.00 0.57 0.31 -0.07 -0.00 0.00 0.00 178.83 179.64 2jsc h LEU 40 N 0.75 0.00 -1.84 0.06 3.38 -1.92 -2.07 115.31 113.66 2jsc h LEU 40 Ca 0.19 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.13 2jsc h LEU 40 Cb 0.06 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.81 2jsc h LEU 40 CO -0.03 0.00 -0.14 0.00 0.09 0.00 0.00 178.44 178.36 2jsc h ALA 41 N 1.52 1.50 0.09 1.53 0.00 -1.55 0.58 119.26 122.92 2jsc h ALA 41 Ca 0.07 -0.13 -0.00 0.00 0.00 0.00 0.00 54.91 54.84 2jsc h ALA 41 Cb 0.68 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.45 2jsc h ALA 41 CO -0.00 0.18 -0.04 0.00 0.00 0.00 0.00 179.25 179.38 2jsc h ALA 42 N 1.86 -0.12 -0.59 0.00 0.00 -1.57 -2.92 119.26 115.91 2jsc h ALA 42 Ca -0.00 -0.15 0.15 0.00 0.00 0.00 0.00 54.91 54.91 2jsc h ALA 42 Cb 0.30 0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.11 2jsc h ALA 42 CO 0.02 -0.13 0.42 0.45 0.00 0.00 0.00 179.25 180.01 2jsc h HIS 43 N -1.00 0.11 -0.02 0.00 -0.00 -1.54 -2.19 115.15 110.52 2jsc h HIS 43 Ca -0.01 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.36 2jsc h HIS 43 Cb 0.35 -0.04 0.00 0.00 -0.00 0.00 0.00 27.41 27.72 2jsc h HIS 43 CO 0.07 0.05 -0.23 1.28 -0.00 0.00 0.00 177.93 179.10 2jsc n LEU 44 N -4.40 2.20 0.00 2.43 4.77 0.17 -4.98 117.00 117.19 2jsc n LEU 44 Ca 0.11 -0.87 0.00 0.00 -0.03 0.00 0.00 56.01 55.22 2jsc n LEU 44 Cb 0.59 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.68 2jsc n LEU 44 CO 0.36 0.40 0.00 0.61 -1.33 0.00 0.00 177.39 177.43 2jsc n GLY 45 N 1.22 0.10 3.79 -0.72 0.00 -0.82 -4.96 105.19 103.79 2jsc n GLY 45 Ca 0.10 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.90 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 3.69 0.48 0.99 1.43 -1.11 -5.01 118.68 119.14 2jsc s LEU 46 Ca 0.00 -0.34 -0.24 0.00 -1.03 0.00 0.00 54.13 52.53 2jsc s LEU 46 Cb 0.00 -2.22 -0.07 0.00 0.03 0.00 0.00 46.19 43.93 2jsc s LEU 46 CO 0.00 -0.04 1.35 0.28 0.23 0.00 0.00 176.35 178.17 2jsc s THR 47 N -2.18 2.28 0.54 5.49 -1.32 -1.26 -4.39 115.64 114.80 2jsc s THR 47 Ca 0.33 0.23 0.25 0.00 -1.21 0.00 0.00 61.69 61.28 2jsc s THR 47 Cb -0.07 -3.12 0.38 0.00 -1.51 0.00 0.00 72.50 68.17 2jsc s THR 47 CO 0.24 0.02 2.02 0.03 -2.21 0.00 0.00 174.62 174.72 2jsc h ARG 48 N 2.02 0.00 0.30 7.08 3.08 -1.91 -0.47 114.38 124.48 2jsc h ARG 48 Ca -0.50 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 59.53 2jsc h ARG 48 Cb 1.27 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.33 2jsc h ARG 48 CO 0.60 0.00 -0.14 0.66 -1.07 0.00 0.00 179.97 180.01 2jsc h SER 49 N 0.00 -0.34 0.41 7.04 4.64 -1.99 -3.15 113.55 120.16 2jsc h SER 49 Ca 0.20 -0.15 -0.04 0.00 -0.47 0.00 0.00 61.79 61.33 2jsc h SER 49 Cb 0.83 0.09 -0.01 0.00 -0.31 0.00 0.00 62.40 63.01 2jsc h SER 49 CO -0.00 0.14 -0.20 -1.13 -0.87 0.00 0.00 176.83 174.77 2jsc h ASN 50 N -1.00 0.00 -0.18 4.97 -1.24 -1.69 0.46 115.58 116.90 2jsc h ASN 50 Ca -0.04 0.00 -0.09 0.00 0.71 0.00 0.00 56.30 56.88 2jsc h ASN 50 Cb 0.47 0.00 -0.02 0.00 0.73 0.00 0.00 38.32 39.50 2jsc h ASN 50 CO 0.07 0.20 -0.17 0.58 -1.29 0.00 0.00 177.43 176.82 2jsc h VAL 51 N 0.00 1.25 0.00 2.57 2.07 -1.27 -3.16 116.25 117.71 2jsc h VAL 51 Ca -0.00 -1.16 -0.04 0.00 0.82 0.00 0.00 66.70 66.31 2jsc h VAL 51 Cb 0.46 1.19 -0.01 0.00 -1.52 0.00 0.00 31.29 31.41 2jsc h VAL 51 CO 0.03 0.38 -0.20 0.77 0.02 0.00 0.00 177.57 178.57 2jsc h SER 52 N 0.53 0.00 -0.98 0.57 4.64 -0.90 -3.03 113.55 114.38 2jsc h SER 52 Ca 0.09 0.00 0.31 0.00 -0.47 0.00 0.00 61.79 61.71 2jsc h SER 52 Cb 0.59 0.00 -0.18 0.00 -0.31 0.00 0.00 62.40 62.50 2jsc h SER 52 CO 0.04 0.20 0.15 -3.20 -0.87 0.00 0.00 176.83 173.14 2jsc n ASN 53 N -3.19 -0.00 -0.00 4.97 2.85 -0.68 -1.69 115.26 117.52 2jsc n ASN 53 Ca 0.02 1.66 0.08 0.00 -0.11 0.00 0.00 54.58 56.23 2jsc n ASN 53 Cb 0.54 -0.65 -0.10 0.00 1.24 0.00 0.00 39.78 40.81 2jsc n ASN 53 CO 0.00 0.00 0.00 1.41 -2.11 0.00 0.00 177.26 176.56 2jsc n HIS 54 N -5.41 0.00 0.25 1.20 8.25 -1.19 -4.09 115.22 114.23 2jsc n HIS 54 Ca 0.27 0.00 0.14 0.00 -0.26 0.00 0.00 57.72 57.86 2jsc n HIS 54 Cb 0.88 -0.04 0.55 0.00 1.12 0.00 0.00 29.99 32.50 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 -0.86 2.41 3.38 -1.20 -3.28 115.31 115.76 2jsc h LEU 55 Ca 0.00 0.00 0.17 0.00 0.09 0.00 0.00 57.88 58.14 2jsc h LEU 55 Cb 0.43 0.00 -0.10 0.00 0.09 0.00 0.00 40.66 41.08 2jsc h LEU 55 CO 0.00 0.10 0.42 -1.28 0.09 0.00 0.00 178.44 177.77 2jsc h SER 56 N 0.00 0.47 0.43 -0.43 0.87 -1.65 -1.33 113.55 111.90 2jsc h SER 56 Ca -0.00 0.11 -0.31 0.00 -1.23 0.00 0.00 61.79 60.36 2jsc h SER 56 Cb 0.66 0.05 -0.04 0.00 -0.44 0.00 0.00 62.40 62.62 2jsc h SER 56 CO 0.01 0.15 -1.75 0.00 -0.53 0.00 0.00 176.83 174.72 2jsc h LEU 58 N 0.02 0.97 -0.16 0.00 5.85 -1.54 0.57 115.31 121.02 2jsc h LEU 58 Ca -0.31 0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.43 2jsc h LEU 58 Cb 2.01 -0.18 0.00 0.00 0.37 0.00 0.00 40.66 42.86 2jsc h LEU 58 CO 0.08 0.60 0.00 0.03 -0.34 0.00 0.00 178.44 178.81 2jsc h ARG 59 N 1.09 0.00 0.00 1.25 3.08 -1.40 -0.93 114.38 117.48 2jsc h ARG 59 Ca 0.44 0.00 -0.08 0.00 0.07 0.00 0.00 59.98 60.41 2jsc h ARG 59 Cb 0.25 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.29 2jsc h ARG 59 CO -0.20 0.00 -0.69 0.78 -1.07 0.00 0.00 179.97 178.79 2jsc h GLY 60 N 3.99 0.00 1.67 0.04 0.00 -1.15 -3.31 103.07 104.31 2jsc h GLY 60 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2jsc h GLY 60 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.54 176.54 2jsc n GLY 62 N -0.76 0.55 0.50 0.00 0.00 -1.10 -4.89 105.19 99.49 2jsc n GLY 62 Ca 0.03 0.00 0.31 0.00 0.00 0.00 0.00 46.02 46.36 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 -8.18 0.99 3.38 -1.51 -3.36 115.31 106.63 2jsc h LEU 63 Ca 0.00 0.00 -0.40 0.00 0.09 0.00 0.00 57.88 57.57 2jsc h LEU 63 Cb 0.12 0.00 -0.26 0.00 0.09 0.00 0.00 40.66 40.61 2jsc h LEU 63 CO 0.00 0.00 -0.78 0.68 0.09 0.00 0.00 178.44 178.43 2jsc s VAL 64 N -4.84 0.86 0.02 1.22 -7.23 -0.63 -1.01 120.40 108.79 2jsc s VAL 64 Ca -0.05 -0.74 0.06 0.00 -1.81 0.00 0.00 61.98 59.45 2jsc s VAL 64 Cb 0.21 -0.78 -0.02 0.00 0.56 0.00 0.00 36.38 36.35 2jsc s VAL 64 CO 0.72 0.04 -0.18 -0.69 -0.31 0.00 0.00 175.10 174.69 2jsc s VAL 65 N -0.64 1.44 0.33 1.32 1.01 0.61 -4.29 120.40 120.18 2jsc s VAL 65 Ca 0.01 -0.99 -0.08 0.00 0.00 0.00 0.00 61.98 60.92 2jsc s VAL 65 Cb -0.06 -1.24 -0.06 0.00 0.00 0.00 0.00 36.38 35.01 2jsc s VAL 65 CO 0.00 0.23 0.64 0.00 0.00 0.00 0.00 175.10 175.98 2jsc s ALA 66 N -0.67 3.50 0.11 5.51 0.00 -1.26 -0.51 121.76 128.44 2jsc s ALA 66 Ca 0.06 -0.37 -0.25 0.00 0.00 0.00 0.00 51.96 51.40 2jsc s ALA 66 Cb -0.08 -2.49 0.08 0.00 0.00 0.00 0.00 23.12 20.63 2jsc s ALA 66 CO 0.01 0.18 0.74 0.99 0.00 0.00 0.00 175.76 177.67 2jsc s THR 67 N -2.16 0.00 0.55 0.00 2.01 -1.02 -4.95 115.64 110.07 2jsc s THR 67 Ca 0.47 -0.14 -0.14 0.00 0.31 0.00 0.00 61.69 62.20 2jsc s THR 67 Cb -0.11 -1.16 -0.06 0.00 0.01 0.00 0.00 72.50 71.18 2jsc s THR 67 CO 0.29 0.00 0.99 -0.31 -0.69 0.00 0.00 174.62 174.90 2jsc s TYR 68 N -3.51 3.52 0.00 4.92 1.51 -1.26 0.09 117.35 122.62 2jsc s TYR 68 Ca 0.04 1.37 0.00 0.00 -1.01 0.00 0.00 57.07 57.47 2jsc s TYR 68 Cb -0.01 -2.74 0.00 0.00 -0.11 0.00 0.00 41.96 39.10 2jsc s TYR 68 CO -0.09 -0.47 0.00 -0.85 -1.11 0.00 0.00 175.55 173.03 2jsc n GLU 69 N -2.01 3.94 0.32 -0.62 -0.00 0.20 -4.72 120.64 117.75 2jsc n GLU 69 Ca 0.06 0.00 0.19 0.00 -0.00 0.00 0.00 57.16 57.41 2jsc n GLU 69 Cb 0.54 0.00 1.05 0.00 -0.00 0.00 0.00 31.44 33.03 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 -1.98 -3.39 103.07 95.86 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 -3.39 0.25 -0.81 4.80 0.00 -1.26 -5.15 116.66 111.10 2jsc n ARG 71 Ca -0.03 0.00 -0.01 0.00 -0.00 0.00 0.00 57.85 57.82 2jsc n ARG 71 Cb 0.10 -0.03 0.00 0.00 0.00 0.00 0.00 32.46 32.53 2jsc n ARG 71 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.63 178.67 2jsc n GLN 72 N -0.17 0.74 -3.97 -0.14 3.00 -1.26 -5.13 117.38 110.46 2jsc n GLN 72 Ca 0.00 -0.07 -0.22 0.00 -0.01 0.00 0.00 57.00 56.69 2jsc n GLN 72 Cb 0.00 -0.01 -0.05 0.00 0.00 0.00 0.00 30.24 30.17 2jsc n GLN 72 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.06 177.20 2jsc s VAL 73 N 0.43 3.04 0.22 5.09 -7.23 -1.26 -0.63 120.40 120.06 2jsc s VAL 73 Ca 0.02 -1.57 -0.01 0.00 -1.81 0.00 0.00 61.98 58.61 2jsc s VAL 73 Cb -0.00 -3.03 -0.04 0.00 0.56 0.00 0.00 36.38 33.87 2jsc s VAL 73 CO 0.01 -0.14 0.17 0.00 -0.31 0.00 0.00 175.10 174.83 2jsc s ARG 74 N -3.92 1.29 -0.02 4.82 1.70 0.11 -3.91 118.95 119.01 2jsc s ARG 74 Ca 0.40 -1.65 0.06 0.00 -0.47 0.00 0.00 55.73 54.07 2jsc s ARG 74 Cb -0.03 0.29 -0.01 0.00 -0.57 0.00 0.00 34.95 34.63 2jsc s ARG 74 CO 0.24 -0.44 -0.21 0.71 -1.08 0.00 0.00 175.30 174.53 2jsc s TYR 75 N -4.07 1.88 0.16 5.89 2.02 -1.26 -2.44 117.35 119.54 2jsc s TYR 75 Ca 0.38 -0.40 0.04 0.00 -0.37 0.00 0.00 57.07 56.73 2jsc s TYR 75 Cb 0.06 -1.22 -0.05 0.00 -0.40 0.00 0.00 41.96 40.36 2jsc s TYR 75 CO 0.14 -0.06 -0.07 0.00 -1.57 0.00 0.00 175.55 173.98 2jsc s ALA 76 N -0.39 1.49 0.90 3.71 0.00 0.33 -4.30 121.76 123.48 2jsc s ALA 76 Ca 0.06 -1.54 -0.10 0.00 0.00 0.00 0.00 51.96 50.37 2jsc s ALA 76 Cb -0.09 0.18 0.14 0.00 0.00 0.00 0.00 23.12 23.34 2jsc s ALA 76 CO -0.00 -0.15 1.15 -0.51 0.00 0.00 0.00 175.76 176.25 2jsc s LEU 77 N -3.19 2.89 0.31 0.00 1.43 -1.26 -0.29 118.68 118.57 2jsc s LEU 77 Ca 0.19 2.20 0.06 0.00 -1.03 0.00 0.00 54.13 55.55 2jsc s LEU 77 Cb 0.04 -4.57 0.85 0.00 0.03 0.00 0.00 46.19 42.54 2jsc s LEU 77 CO 0.02 -3.02 1.61 0.00 0.23 0.00 0.00 176.35 175.19 2jsc h ALA 78 N -1.74 1.41 -1.36 4.21 0.00 -1.23 -3.39 119.26 117.17 2jsc h ALA 78 Ca -0.43 0.28 0.09 0.00 0.00 0.00 0.00 54.91 54.84 2jsc h ALA 78 Cb 1.27 0.42 -0.02 0.00 0.00 0.00 0.00 17.79 19.47 2jsc h ALA 78 CO 0.42 -0.60 0.22 -3.47 0.00 0.00 0.00 179.25 175.83 2jsc n ASP 79 N -5.33 -0.27 0.30 0.00 2.03 -1.26 -4.85 116.55 107.17 2jsc n ASP 79 Ca 0.25 -1.05 0.16 0.00 0.52 0.00 0.00 54.79 54.68 2jsc n ASP 79 Cb 0.83 0.42 0.81 0.00 -0.72 0.00 0.00 41.12 42.46 2jsc n ASP 79 CO 0.00 0.00 0.00 -1.28 -1.92 0.00 0.00 177.20 174.00 2jsc h SER 80 N 0.47 0.00 -0.32 1.67 0.87 -1.98 -2.34 113.55 111.92 2jsc h SER 80 Ca -0.05 0.00 0.01 0.00 -1.23 0.00 0.00 61.79 60.52 2jsc h SER 80 Cb 0.28 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 62.22 2jsc h SER 80 CO 0.07 0.00 0.20 0.45 -0.53 0.00 0.00 176.83 177.03 2jsc h HIS 81 N 0.00 0.39 0.03 2.24 3.86 -1.98 -1.11 115.15 118.58 2jsc h HIS 81 Ca 0.03 0.01 -0.28 0.00 -1.16 0.00 0.00 60.37 58.97 2jsc h HIS 81 Cb 0.72 -0.13 -0.03 0.00 1.06 0.00 0.00 27.41 29.03 2jsc h HIS 81 CO 0.00 0.24 -1.52 -0.07 0.86 0.00 0.00 177.93 177.44 2jsc h LEU 82 N 0.42 0.12 -2.11 2.43 3.38 -1.83 -3.03 115.31 114.68 2jsc h LEU 82 Ca 0.12 -0.19 0.04 0.00 0.09 0.00 0.00 57.88 57.93 2jsc h LEU 82 Cb -0.04 -0.04 -0.00 0.00 0.09 0.00 0.00 40.66 40.67 2jsc h LEU 82 CO -0.03 1.16 0.10 0.00 0.09 0.00 0.00 178.44 179.76 2jsc h ALA 83 N 0.82 1.99 0.23 1.53 0.00 -1.53 -0.56 119.26 121.74 2jsc h ALA 83 Ca -0.22 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.67 2jsc h ALA 83 Cb 1.96 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.76 2jsc h ALA 83 CO 0.11 -0.16 -0.11 0.00 0.00 0.00 0.00 179.25 179.09 2jsc h ARG 84 N 0.00 -0.30 0.00 0.00 2.47 -1.23 -0.57 114.38 114.74 2jsc h ARG 84 Ca 0.06 0.02 0.00 0.00 -1.26 0.00 0.00 59.98 58.80 2jsc h ARG 84 Cb 0.25 0.07 0.00 0.00 -1.65 0.00 0.00 29.97 28.64 2jsc h ARG 84 CO -0.00 -0.20 0.00 0.00 0.56 0.00 0.00 179.97 180.33 2jsc h ALA 85 N -1.65 1.00 0.13 0.04 0.00 -1.40 0.13 119.26 117.52 2jsc h ALA 85 Ca -0.03 0.00 -0.35 0.00 0.00 0.00 0.00 54.91 54.53 2jsc h ALA 85 Cb 0.24 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 2jsc h ALA 85 CO 0.05 0.00 -1.87 1.25 0.00 0.00 0.00 179.25 178.69 2jsc h LEU 86 N 0.00 0.44 0.15 0.00 6.46 -1.24 0.86 115.31 121.98 2jsc h LEU 86 Ca 0.00 -0.84 -0.01 0.00 -0.12 0.00 0.00 57.88 56.91 2jsc h LEU 86 Cb 0.14 -0.14 0.00 0.00 -0.73 0.00 0.00 40.66 39.93 2jsc h LEU 86 CO 0.00 1.74 -0.07 1.23 -0.62 0.00 0.00 178.44 180.72 2jsc h GLY 87 N 1.22 -0.20 1.69 3.75 0.00 0.77 -2.84 103.07 107.45 2jsc h GLY 87 Ca -0.37 0.08 0.00 0.00 0.00 0.00 0.00 47.33 47.03 2jsc h GLY 87 CO 0.12 -0.07 0.00 -1.84 0.00 0.00 0.00 176.54 174.75 2jsc n GLU 88 N -4.97 0.28 -0.29 4.80 0.28 0.23 -5.01 120.64 115.98 2jsc n GLU 88 Ca -0.09 0.03 0.00 0.00 -0.16 0.00 0.00 57.16 56.94 2jsc n GLU 88 Cb 0.25 -1.50 0.00 0.00 1.43 0.00 0.00 31.44 31.62 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 -1.34 -2.51 0.13 -1.84 7.94 -1.07 -4.78 117.00 113.52 2jsc n LEU 89 Ca 0.11 0.38 0.05 0.00 -1.11 0.00 0.00 56.01 55.44 2jsc n LEU 89 Cb 0.25 0.25 0.08 0.00 0.53 0.00 0.00 43.42 44.53 2jsc n LEU 89 CO 0.22 -0.09 0.76 1.33 -1.11 0.00 0.00 177.39 178.49 2jsc n VAL 90 N -0.29 0.00 -0.01 1.96 0.24 0.29 -4.76 118.33 115.76 2jsc n VAL 90 Ca 0.00 0.76 0.00 0.00 -2.04 0.00 0.00 64.34 63.06 2jsc n VAL 90 Cb 0.00 -1.46 0.00 0.00 -1.47 0.00 0.00 33.84 30.91 2jsc n VAL 90 CO 0.00 0.00 0.00 1.67 -2.14 0.00 0.00 176.83 176.36 2jsc n GLN 91 N -2.12 0.00 -0.28 7.34 7.27 -1.26 -4.83 117.38 123.49 2jsc n GLN 91 Ca 0.05 0.00 -0.07 0.00 0.07 0.00 0.00 57.00 57.04 2jsc n GLN 91 Cb 0.81 -1.94 -0.02 0.00 2.41 0.00 0.00 30.24 31.51 2jsc n GLN 91 CO 0.00 0.00 0.00 1.33 0.07 0.00 0.00 177.06 178.46 2jsc n VAL 92 N -2.00 0.91 -1.89 1.69 0.24 -1.26 -4.49 118.33 111.53 2jsc n VAL 92 Ca 0.00 -0.53 0.00 0.00 -2.04 0.00 0.00 64.34 61.77 2jsc n VAL 92 Cb 0.00 -1.72 0.00 0.00 -1.47 0.00 0.00 33.84 30.65 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 4.22 0.00 -2.72 3.34 0.31 -1.26 -1.84 118.33 120.39 2jsc n VAL 93 Ca 0.16 0.00 -0.05 0.00 -0.01 0.00 0.00 64.34 64.44 2jsc n VAL 93 Cb 0.09 0.00 0.01 0.00 -0.91 0.00 0.00 33.84 33.03 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 -0.71 -7.62 -4.57 7.52 7.94 -1.26 -4.88 117.00 113.42 2jsc n LEU 94 Ca 0.00 0.84 -0.20 0.00 -1.11 0.00 0.00 56.01 55.54 2jsc n LEU 94 Cb 0.00 -3.24 -0.07 0.00 0.53 0.00 0.00 43.42 40.64 2jsc n LEU 94 CO 0.00 -2.54 1.27 0.00 -1.11 0.00 0.00 177.39 175.01 2jsc s ALA 95 N -2.13 1.10 0.75 1.96 0.00 -0.76 -4.95 121.76 117.73 2jsc s ALA 95 Ca 0.14 -1.42 -0.15 0.00 0.00 0.00 0.00 51.96 50.53 2jsc s ALA 95 Cb -0.04 -4.62 0.04 0.00 0.00 0.00 0.00 23.12 18.50 2jsc s ALA 95 CO 0.73 -5.75 1.16 0.28 0.00 0.00 0.00 175.76 172.18 2jsc n VAL 96 N 8.42 2.89 0.00 0.00 0.31 -1.26 -4.90 118.33 123.79 2jsc n VAL 96 Ca 0.43 -0.31 0.00 0.00 -0.01 0.00 0.00 64.34 64.45 2jsc n VAL 96 Cb 0.46 -1.24 0.00 0.00 -0.91 0.00 0.00 33.84 32.15 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 -2.57 0.00 -4.89 4.52 9.92 -1.26 -4.80 116.55 117.46 2jsc n ASP 97 Ca 0.14 0.00 -0.33 0.00 -0.53 0.00 0.00 54.79 54.07 2jsc n ASP 97 Cb 0.50 0.00 -0.05 0.00 -0.64 0.00 0.00 41.12 40.93 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 -1.00 5.27 -1.26 -3.53 -4.23 -1.26 -4.89 115.64 104.74 2jsc s THR 98 Ca 0.00 0.07 -0.11 0.00 -1.18 0.00 0.00 61.69 60.47 2jsc s THR 98 Cb 0.00 -3.60 0.17 0.00 1.34 0.00 0.00 72.50 70.41 2jsc s THR 98 CO 0.00 0.24 1.75 -0.67 -0.54 0.00 0.00 174.62 175.40 2jsc n ASP 99 N 0.72 5.11 -4.76 3.99 2.03 -1.26 -5.03 116.55 117.34 2jsc n ASP 99 Ca -0.08 -3.06 -0.37 0.00 0.52 0.00 0.00 54.79 51.79 2jsc n ASP 99 Cb 0.52 -1.51 0.02 0.00 -0.72 0.00 0.00 41.12 39.42 2jsc n ASP 99 CO 0.00 0.00 0.00 -1.10 -1.92 0.00 0.00 177.20 174.18 2jsc s GLN 100 N 0.84 3.41 -0.72 -0.67 1.11 -1.26 -4.93 119.66 117.44 2jsc s GLN 100 Ca 0.41 1.96 -0.26 0.00 0.01 0.00 0.00 55.36 57.48 2jsc s GLN 100 Cb 0.06 -2.28 -0.02 0.00 -1.01 0.00 0.00 33.01 29.76 2jsc s GLN 100 CO 0.00 -0.89 1.78 -1.25 0.01 0.00 0.00 175.29 174.95 2jsc s PRO 101 N -2.87 2.73 0.00 2.91 0.04 -1.26 -4.85 135.00 131.70 2jsc s PRO 101 Ca 0.69 0.20 0.00 0.00 0.04 0.00 0.00 61.00 61.92 2jsc s PRO 101 Cb -0.33 -4.57 0.00 0.00 0.04 0.00 0.00 34.50 29.64 2jsc s PRO 101 CO 0.39 -2.78 0.69 0.00 0.04 0.00 0.00 177.00 175.34 2jsc n VAL 103 N -1.19 0.00 0.00 0.00 0.31 -1.26 -4.53 118.33 111.66 2jsc n VAL 103 Ca 0.00 0.00 -0.01 0.00 -0.01 0.00 0.00 64.34 64.32 2jsc n VAL 103 Cb 0.07 0.00 -0.00 0.00 -0.91 0.00 0.00 33.84 33.00 2jsc n VAL 103 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2jsc h ALA 104 N 0.00 -0.12 0.02 3.52 0.00 -2.01 -3.35 119.26 117.32 2jsc h ALA 104 Ca 0.00 -0.01 -0.21 0.00 0.00 0.00 0.00 54.91 54.69 2jsc h ALA 104 Cb 0.00 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 2jsc h ALA 104 CO 0.00 -0.11 -0.97 0.93 0.00 0.00 0.00 179.25 179.09 2jsc h GLU 105 N -0.42 0.09 0.00 0.00 5.08 -1.98 -3.55 114.58 113.80 2jsc h GLU 105 Ca -0.01 -0.13 0.00 0.00 -1.00 0.00 0.00 59.36 58.22 2jsc h GLU 105 Cb 0.04 0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.34 2jsc h GLU 105 CO 0.01 0.99 0.00 -2.13 -1.00 0.00 0.00 179.01 176.88