#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 0.95 -2.19 0.00 8.10 -2.05 -0.30 115.31 119.82 2jsc h LEU 11 Ca 0.00 -0.14 -0.01 0.00 0.11 0.00 0.00 57.88 57.84 2jsc h LEU 11 Cb 0.00 -0.25 -0.00 0.00 -0.44 0.00 0.00 40.66 39.97 2jsc h LEU 11 CO 0.00 0.85 -0.05 0.00 -4.11 0.00 0.00 178.44 175.13 2jsc h ALA 12 N 1.29 1.55 0.15 0.17 0.00 -2.06 -0.93 119.26 119.43 2jsc h ALA 12 Ca 0.24 -0.04 -0.23 0.00 0.00 0.00 0.00 54.91 54.88 2jsc h ALA 12 Cb 0.20 -0.01 0.03 0.00 0.00 0.00 0.00 17.79 18.00 2jsc h ALA 12 CO -0.02 0.06 -0.98 0.00 0.00 0.00 0.00 179.25 178.31 2jsc h ARG 13 N 0.00 0.40 -0.34 0.00 2.47 -1.55 -3.33 114.38 112.02 2jsc h ARG 13 Ca -0.00 -0.63 0.05 0.00 -1.26 0.00 0.00 59.98 58.14 2jsc h ARG 13 Cb 0.11 0.23 -0.04 0.00 -1.65 0.00 0.00 29.97 28.61 2jsc h ARG 13 CO 0.01 1.29 0.08 1.25 0.56 0.00 0.00 179.97 183.16 2jsc h LEU 14 N -0.17 0.04 -0.86 3.04 7.12 0.03 0.16 115.31 124.67 2jsc h LEU 14 Ca -0.17 0.05 -0.09 0.00 0.13 0.00 0.00 57.88 57.81 2jsc h LEU 14 Cb 1.75 0.06 -0.01 0.00 -0.53 0.00 0.00 40.66 41.93 2jsc h LEU 14 CO 0.19 0.06 -0.42 1.23 -0.13 0.00 0.00 178.44 179.37 2jsc h GLY 15 N 0.21 0.00 0.77 3.75 0.00 -1.49 -0.36 103.07 105.95 2jsc h GLY 15 Ca 0.16 0.00 -0.08 0.00 0.00 0.00 0.00 47.33 47.41 2jsc h GLY 15 CO -0.20 0.00 -0.22 -0.09 0.00 0.00 0.00 176.54 176.03 2jsc h ARG 16 N 0.00 0.42 0.00 4.80 1.12 -1.59 -2.70 114.38 116.43 2jsc h ARG 16 Ca -0.00 -0.25 -0.01 0.00 -1.11 0.00 0.00 59.98 58.61 2jsc h ARG 16 Cb 0.95 0.02 -0.00 0.00 -0.01 0.00 0.00 29.97 30.93 2jsc h ARG 16 CO 0.05 0.83 -0.05 0.00 -3.11 0.00 0.00 179.97 177.70 2jsc h ALA 17 N 0.58 1.17 -0.02 2.80 0.00 0.13 -0.19 119.26 123.73 2jsc h ALA 17 Ca 0.01 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.88 2jsc h ALA 17 Cb 0.79 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.57 2jsc h ALA 17 CO 0.05 0.06 -0.34 1.28 0.00 0.00 0.00 179.25 180.30 2jsc n LEU 18 N -3.39 2.30 -0.34 0.00 4.32 -0.22 -4.16 117.00 115.50 2jsc n LEU 18 Ca -0.02 -0.82 0.13 0.00 -0.02 0.00 0.00 56.01 55.28 2jsc n LEU 18 Cb 0.19 -0.00 0.59 0.00 -1.62 0.00 0.00 43.42 42.57 2jsc n LEU 18 CO 0.26 0.41 0.90 0.00 -1.22 0.00 0.00 177.39 177.74 2jsc n ALA 19 N 0.36 2.59 -1.13 -1.18 0.00 -0.10 -4.92 120.51 116.13 2jsc n ALA 19 Ca 0.11 -0.38 -0.31 0.00 0.00 0.00 0.00 53.44 52.86 2jsc n ALA 19 Cb 0.51 -1.24 0.11 0.00 0.00 0.00 0.00 19.45 18.83 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 -1.86 4.00 0.00 0.00 1.11 -1.13 -5.03 116.67 113.77 2jsc s ASP 20 Ca 0.38 1.85 0.00 0.00 0.18 0.00 0.00 52.55 54.96 2jsc s ASP 20 Cb 0.20 -2.48 0.00 0.00 1.07 0.00 0.00 42.92 41.70 2jsc s ASP 20 CO 0.31 -2.36 0.00 -0.81 1.18 0.00 0.00 175.17 173.50 2jsc n PRO 21 N -3.73 0.00 0.31 8.23 -0.04 -1.26 -3.96 135.00 134.55 2jsc n PRO 21 Ca 0.09 0.00 0.19 0.00 -0.04 0.00 0.00 63.50 63.74 2jsc n PRO 21 Cb 0.53 0.00 1.00 0.00 -0.04 0.00 0.00 33.50 34.99 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 0.09 -0.42 0.52 2.02 -1.98 -1.36 112.91 111.78 2jsc h THR 22 Ca 0.00 0.00 -0.15 0.00 0.77 0.00 0.00 66.41 67.03 2jsc h THR 22 Cb 0.00 0.85 -0.01 0.00 -1.74 0.00 0.00 68.15 67.25 2jsc h THR 22 CO 0.00 0.00 -0.31 -0.09 0.37 0.00 0.00 175.52 175.49 2jsc h ARG 23 N 0.00 0.94 0.00 6.66 2.43 -1.94 0.67 114.38 123.14 2jsc h ARG 23 Ca 0.02 -0.45 -0.10 0.00 -0.81 0.00 0.00 59.98 58.64 2jsc h ARG 23 Cb 0.33 -0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 29.86 2jsc h ARG 23 CO -0.00 1.11 -0.46 0.00 -1.51 0.00 0.00 179.97 179.12 2jsc h ARG 25 N 0.00 1.23 -0.71 0.00 9.65 -0.87 -1.77 114.38 121.92 2jsc h ARG 25 Ca -0.00 -0.15 0.05 0.00 -1.10 0.00 0.00 59.98 58.78 2jsc h ARG 25 Cb 0.92 -0.24 -0.05 0.00 -1.39 0.00 0.00 29.97 29.20 2jsc h ARG 25 CO 0.06 0.91 0.41 0.82 2.80 0.00 0.00 179.97 184.97 2jsc h ILE 26 N 1.23 1.00 -0.30 1.20 1.08 -0.69 -1.11 117.51 119.93 2jsc h ILE 26 Ca 0.31 -0.26 0.00 0.00 -0.39 0.00 0.00 64.86 64.52 2jsc h ILE 26 Cb 0.04 0.17 -0.01 0.00 -3.07 0.00 0.00 36.82 33.94 2jsc h ILE 26 CO -0.05 0.14 0.20 -0.07 -0.69 0.00 0.00 178.15 177.68 2jsc h LEU 27 N 0.77 0.35 -0.40 1.44 3.38 -1.20 -2.18 115.31 117.45 2jsc h LEU 27 Ca 0.31 -0.01 -0.11 0.00 0.09 0.00 0.00 57.88 58.15 2jsc h LEU 27 Cb 0.15 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 40.80 2jsc h LEU 27 CO -0.17 0.26 -0.55 1.62 0.09 0.00 0.00 178.44 179.70 2jsc h VAL 28 N 0.41 1.05 0.00 1.22 3.04 -0.91 -2.71 116.25 118.35 2jsc h VAL 28 Ca 0.11 -2.15 -0.03 0.00 -1.01 0.00 0.00 66.70 63.61 2jsc h VAL 28 Cb -0.04 2.29 -0.01 0.00 -2.01 0.00 0.00 31.29 31.53 2jsc h VAL 28 CO -0.02 0.53 -0.33 0.00 -1.01 0.00 0.00 177.57 176.74 2jsc h ALA 29 N 1.45 0.83 0.00 3.17 0.00 -1.22 -3.24 119.26 120.25 2jsc h ALA 29 Ca -0.01 -0.15 -0.17 0.00 0.00 0.00 0.00 54.91 54.58 2jsc h ALA 29 Cb 1.25 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 19.01 2jsc h ALA 29 CO 0.07 0.20 -0.83 1.25 0.00 0.00 0.00 179.25 179.94 2jsc h LEU 30 N 0.00 0.00 -0.69 0.00 5.85 -1.21 -2.40 115.31 116.86 2jsc h LEU 30 Ca -0.01 0.00 0.14 0.00 0.84 0.00 0.00 57.88 58.85 2jsc h LEU 30 Cb 1.12 0.00 -0.13 0.00 0.37 0.00 0.00 40.66 42.02 2jsc h LEU 30 CO 0.02 0.83 -0.15 0.25 -0.34 0.00 0.00 178.44 179.05 2jsc h LEU 31 N 0.00 -0.59 -3.93 2.25 6.46 -1.51 0.34 115.31 118.33 2jsc h LEU 31 Ca -0.01 0.20 -0.48 0.00 -0.12 0.00 0.00 57.88 57.48 2jsc h LEU 31 Cb 1.52 0.41 -0.29 0.00 -0.73 0.00 0.00 40.66 41.58 2jsc h LEU 31 CO 0.11 -0.22 0.57 -0.67 -0.62 0.00 0.00 178.44 177.61 2jsc n ASP 32 N -5.44 3.65 0.00 1.25 2.03 -1.23 -4.72 116.55 112.09 2jsc n ASP 32 Ca 0.09 -3.62 0.00 0.00 0.52 0.00 0.00 54.79 51.78 2jsc n ASP 32 Cb 0.37 -0.82 0.00 0.00 -0.72 0.00 0.00 41.12 39.95 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 -1.12 0.31 1.90 0.27 0.00 -0.07 -5.01 105.19 101.47 2jsc n GLY 33 Ca 0.57 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.55 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 -0.55 0.00 0.00 1.61 0.24 -0.18 -4.86 118.33 114.59 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 -0.04 0.00 0.00 -1.47 0.00 0.00 33.84 32.33 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 0.00 0.70 0.26 0.00 2.02 -1.26 -3.94 117.35 115.13 2jsc s TYR 36 Ca 0.00 -0.64 -0.31 0.00 -0.37 0.00 0.00 57.07 55.75 2jsc s TYR 36 Cb 0.00 -0.42 -0.13 0.00 -0.40 0.00 0.00 41.96 41.01 2jsc s TYR 36 CO 0.00 -0.12 1.47 -0.35 -1.57 0.00 0.00 175.55 174.98 2jsc n PRO 37 N 0.99 2.28 -0.38 -1.71 -0.04 -1.26 -1.12 135.00 133.77 2jsc n PRO 37 Ca -0.20 0.81 0.00 0.00 -0.04 0.00 0.00 63.50 64.07 2jsc n PRO 37 Cb 0.57 -2.51 0.00 0.00 -0.04 0.00 0.00 33.50 31.52 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 2.12 2.01 0.31 0.55 0.00 -1.26 -4.90 105.19 104.02 2jsc n GLY 38 Ca 0.10 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.26 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 2.58 0.00 0.00 1.61 3.07 -1.55 -2.24 115.11 118.59 2jsc h GLN 39 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.74 2jsc h GLN 39 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.56 2jsc h GLN 39 CO 0.00 0.00 0.00 -0.07 0.09 0.00 0.00 178.83 178.85 2jsc h LEU 40 N 0.00 0.00 -0.11 0.06 3.38 -1.91 -1.74 115.31 114.99 2jsc h LEU 40 Ca 0.09 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.02 2jsc h LEU 40 Cb 0.38 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.13 2jsc h LEU 40 CO -0.00 0.00 -0.06 0.00 0.09 0.00 0.00 178.44 178.47 2jsc h ALA 41 N 2.18 0.16 -0.53 1.53 0.00 -1.61 -0.02 119.26 120.97 2jsc h ALA 41 Ca 0.00 -0.26 -0.12 0.00 0.00 0.00 0.00 54.91 54.53 2jsc h ALA 41 Cb 0.37 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.10 2jsc h ALA 41 CO 0.00 -0.05 -0.14 0.00 0.00 0.00 0.00 179.25 179.06 2jsc h ALA 42 N 0.64 0.74 0.00 0.00 0.00 -1.67 0.34 119.26 119.31 2jsc h ALA 42 Ca 0.02 -0.37 -0.10 0.00 0.00 0.00 0.00 54.91 54.47 2jsc h ALA 42 Cb 0.53 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 2jsc h ALA 42 CO 0.02 0.68 -0.46 1.25 0.00 0.00 0.00 179.25 180.73 2jsc h HIS 43 N 0.91 0.00 0.00 0.00 6.17 -1.29 -3.05 115.15 117.88 2jsc h HIS 43 Ca 0.13 0.00 -0.09 0.00 0.71 0.00 0.00 60.37 61.12 2jsc h HIS 43 Cb 0.71 0.00 -0.02 0.00 2.52 0.00 0.00 27.41 30.63 2jsc h HIS 43 CO 0.05 0.46 -1.74 1.28 0.71 0.00 0.00 177.93 178.69 2jsc n LEU 44 N -3.68 0.35 0.00 0.26 4.77 -0.03 -4.99 117.00 113.69 2jsc n LEU 44 Ca -0.01 0.14 0.00 0.00 -0.03 0.00 0.00 56.01 56.12 2jsc n LEU 44 Cb 0.54 0.08 0.00 0.00 -2.33 0.00 0.00 43.42 41.71 2jsc n LEU 44 CO 0.39 0.07 0.00 0.61 -1.33 0.00 0.00 177.39 177.13 2jsc n GLY 45 N 1.35 0.47 3.83 -0.72 0.00 0.03 -5.04 105.19 105.11 2jsc n GLY 45 Ca -0.09 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.71 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 3.40 0.39 0.99 1.43 -0.71 -4.98 118.68 119.21 2jsc s LEU 46 Ca 0.00 -0.71 -0.26 0.00 -1.03 0.00 0.00 54.13 52.13 2jsc s LEU 46 Cb 0.00 -1.98 -0.09 0.00 0.03 0.00 0.00 46.19 44.15 2jsc s LEU 46 CO 0.00 -0.48 1.21 0.42 0.23 0.00 0.00 176.35 177.73 2jsc s THR 47 N -2.43 2.99 0.49 5.49 -4.23 -1.26 -4.41 115.64 112.29 2jsc s THR 47 Ca 0.43 0.87 0.18 0.00 -1.18 0.00 0.00 61.69 61.99 2jsc s THR 47 Cb -0.03 -3.50 0.34 0.00 1.34 0.00 0.00 72.50 70.65 2jsc s THR 47 CO 0.26 0.11 2.03 0.08 -0.54 0.00 0.00 174.62 176.55 2jsc h ARG 48 N 2.75 0.17 0.32 3.99 0.11 -1.94 0.10 114.38 119.86 2jsc h ARG 48 Ca -0.49 -0.01 -0.02 0.00 0.10 0.00 0.00 59.98 59.57 2jsc h ARG 48 Cb 1.24 -0.04 0.00 0.00 1.11 0.00 0.00 29.97 32.28 2jsc h ARG 48 CO 0.63 0.11 -0.15 0.77 0.10 0.00 0.00 179.97 181.43 2jsc h SER 49 N 0.17 -0.36 0.05 0.08 0.02 -1.99 -2.24 113.55 109.27 2jsc h SER 49 Ca 0.20 -0.15 -0.14 0.00 -0.84 0.00 0.00 61.79 60.85 2jsc h SER 49 Cb 0.57 0.09 -0.01 0.00 0.14 0.00 0.00 62.40 63.19 2jsc h SER 49 CO -0.03 -0.02 -0.49 -1.13 -1.14 0.00 0.00 176.83 174.02 2jsc h ASN 50 N -0.72 0.55 -0.37 3.07 -1.24 -1.69 -1.09 115.58 114.08 2jsc h ASN 50 Ca -0.04 -0.27 -0.02 0.00 0.71 0.00 0.00 56.30 56.68 2jsc h ASN 50 Cb 0.49 -0.16 -0.02 0.00 0.73 0.00 0.00 38.32 39.37 2jsc h ASN 50 CO 0.07 0.95 0.18 0.58 -1.29 0.00 0.00 177.43 177.91 2jsc h VAL 51 N 0.40 1.16 -0.43 2.57 2.07 -0.95 -1.82 116.25 119.25 2jsc h VAL 51 Ca 0.02 -0.48 -0.10 0.00 0.82 0.00 0.00 66.70 66.97 2jsc h VAL 51 Cb 1.00 0.65 -0.01 0.00 -1.52 0.00 0.00 31.29 31.40 2jsc h VAL 51 CO 0.09 0.19 -0.12 0.28 0.02 0.00 0.00 177.57 178.03 2jsc h SER 52 N 0.59 0.85 -0.68 0.57 0.02 -0.70 -2.19 113.55 112.00 2jsc h SER 52 Ca 0.15 -0.37 0.14 0.00 -0.84 0.00 0.00 61.79 60.87 2jsc h SER 52 Cb 0.11 -0.23 -0.10 0.00 0.14 0.00 0.00 62.40 62.32 2jsc h SER 52 CO -0.02 1.02 0.18 0.78 -1.14 0.00 0.00 176.83 177.65 2jsc h ASN 53 N 0.66 0.05 0.10 3.07 2.35 -0.86 -1.53 115.58 119.42 2jsc h ASN 53 Ca 0.11 0.13 -0.11 0.00 -0.55 0.00 0.00 56.30 55.87 2jsc h ASN 53 Cb 0.65 0.16 -0.01 0.00 0.05 0.00 0.00 38.32 39.17 2jsc h ASN 53 CO 0.04 0.01 -0.39 0.45 -1.65 0.00 0.00 177.43 175.89 2jsc h HIS 54 N 0.29 0.45 -0.00 1.19 3.86 -1.15 -3.21 115.15 116.58 2jsc h HIS 54 Ca 0.37 -0.12 0.00 0.00 -1.16 0.00 0.00 60.37 59.46 2jsc h HIS 54 Cb 0.59 -0.10 0.00 0.00 1.06 0.00 0.00 27.41 28.96 2jsc h HIS 54 CO -0.24 0.72 -0.33 1.28 0.86 0.00 0.00 177.93 180.22 2jsc n LEU 55 N -4.04 0.68 0.04 2.43 4.77 -0.84 -3.72 117.00 116.32 2jsc n LEU 55 Ca -0.01 -0.08 -0.13 0.00 -0.03 0.00 0.00 56.01 55.76 2jsc n LEU 55 Cb 0.48 -0.20 -0.09 0.00 -2.33 0.00 0.00 43.42 41.28 2jsc n LEU 55 CO 0.43 0.14 0.66 -1.28 -1.33 0.00 0.00 177.39 176.01 2jsc h SER 56 N 0.56 -0.09 -0.12 -1.43 0.87 -1.30 -3.20 113.55 108.84 2jsc h SER 56 Ca 0.00 -0.31 -0.23 0.00 -1.23 0.00 0.00 61.79 60.02 2jsc h SER 56 Cb 0.49 0.02 0.01 0.00 -0.44 0.00 0.00 62.40 62.48 2jsc h SER 56 CO 0.00 0.27 -0.82 0.00 -0.53 0.00 0.00 176.83 175.75 2jsc h LEU 58 N 0.52 0.79 -0.20 0.00 5.85 -1.65 0.10 115.31 120.71 2jsc h LEU 58 Ca -0.06 0.03 -0.06 0.00 0.84 0.00 0.00 57.88 58.63 2jsc h LEU 58 Cb 1.45 -0.13 -0.01 0.00 0.37 0.00 0.00 40.66 42.34 2jsc h LEU 58 CO 0.17 0.44 -0.29 0.03 -0.34 0.00 0.00 178.44 178.45 2jsc h ARG 59 N 0.86 0.00 0.00 1.25 3.08 -1.66 -1.97 114.38 115.93 2jsc h ARG 59 Ca 0.44 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.48 2jsc h ARG 59 Cb 0.50 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.55 2jsc h ARG 59 CO -0.20 0.29 -0.04 0.78 -1.07 0.00 0.00 179.97 179.73 2jsc h GLY 60 N 3.41 0.00 1.11 0.04 0.00 -1.29 -3.32 103.07 103.02 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 0.04 0.00 0.36 0.00 0.00 0.00 0.00 176.54 176.94 2jsc n GLY 62 N -1.27 1.59 0.33 0.00 0.00 -1.09 -4.87 105.19 99.88 2jsc n GLY 62 Ca -0.01 0.00 0.16 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 0.00 0.00 -8.48 0.99 3.38 -1.68 -3.36 115.31 106.15 2jsc h LEU 63 Ca 0.00 0.00 -0.31 0.00 0.09 0.00 0.00 57.88 57.66 2jsc h LEU 63 Cb 0.00 0.00 -0.17 0.00 0.09 0.00 0.00 40.66 40.58 2jsc h LEU 63 CO 0.00 0.00 -0.72 0.68 0.09 0.00 0.00 178.44 178.49 2jsc s VAL 64 N -4.73 0.94 0.01 1.22 -7.23 -0.92 -1.07 120.40 108.62 2jsc s VAL 64 Ca -0.05 -1.76 -0.13 0.00 -1.81 0.00 0.00 61.98 58.23 2jsc s VAL 64 Cb 0.16 -1.49 0.02 0.00 0.56 0.00 0.00 36.38 35.62 2jsc s VAL 64 CO 0.58 -0.64 0.28 0.68 -0.31 0.00 0.00 175.10 175.69 2jsc s VAL 65 N -2.78 0.07 0.09 1.32 -7.23 0.53 -4.17 120.40 108.24 2jsc s VAL 65 Ca 0.08 -0.58 -0.20 0.00 -1.81 0.00 0.00 61.98 59.47 2jsc s VAL 65 Cb -0.01 -0.69 -0.07 0.00 0.56 0.00 0.00 36.38 36.17 2jsc s VAL 65 CO -0.01 -0.32 0.60 0.00 -0.31 0.00 0.00 175.10 175.07 2jsc s ALA 66 N -1.72 3.56 0.12 1.32 0.00 -1.26 -0.99 121.76 122.80 2jsc s ALA 66 Ca -0.11 0.08 -0.25 0.00 0.00 0.00 0.00 51.96 51.69 2jsc s ALA 66 Cb -0.04 -2.69 0.07 0.00 0.00 0.00 0.00 23.12 20.47 2jsc s ALA 66 CO 0.02 0.38 0.64 0.99 0.00 0.00 0.00 175.76 177.79 2jsc s THR 67 N -1.14 0.00 0.11 0.00 2.01 -0.70 -5.00 115.64 110.92 2jsc s THR 67 Ca 0.31 0.00 -0.24 0.00 0.31 0.00 0.00 61.69 62.06 2jsc s THR 67 Cb -0.20 -1.00 -0.07 0.00 0.01 0.00 0.00 72.50 71.24 2jsc s THR 67 CO 0.20 0.00 0.75 -0.31 -0.69 0.00 0.00 174.62 174.57 2jsc s TYR 68 N -3.38 3.84 -0.99 4.92 1.51 -1.26 0.06 117.35 122.05 2jsc s TYR 68 Ca 0.00 1.54 0.27 0.00 -1.01 0.00 0.00 57.07 57.87 2jsc s TYR 68 Cb -0.01 -2.75 0.86 0.00 -0.11 0.00 0.00 41.96 39.95 2jsc s TYR 68 CO -0.10 0.44 1.67 -0.85 -1.11 0.00 0.00 175.55 175.60 2jsc n GLU 69 N 2.02 0.01 0.00 -0.62 -0.00 -0.37 -4.86 120.64 116.82 2jsc n GLU 69 Ca -0.05 0.01 0.00 0.00 -0.00 0.00 0.00 57.16 57.11 2jsc n GLU 69 Cb 0.49 -1.51 0.00 0.00 -0.00 0.00 0.00 31.44 30.42 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 1.49 1.40 0.00 -1.84 0.00 -1.26 -4.90 105.19 100.09 2jsc n GLY 70 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.08 2jsc n GLY 70 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 2jsc n ARG 71 N 0.00 0.00 -3.67 1.61 -4.01 -1.26 -5.11 116.66 104.22 2jsc n ARG 71 Ca 0.00 -0.09 -0.11 0.00 -1.04 0.00 0.00 57.85 56.61 2jsc n ARG 71 Cb 0.00 -0.15 -0.06 0.00 -3.04 0.00 0.00 32.46 29.21 2jsc n ARG 71 CO 0.00 0.00 0.00 -1.14 -3.04 0.00 0.00 177.63 173.45 2jsc s GLN 72 N 0.00 0.98 0.35 2.89 2.00 -1.26 -5.16 119.66 119.46 2jsc s GLN 72 Ca 0.00 -0.58 -0.25 0.00 -2.00 0.00 0.00 55.36 52.53 2jsc s GLN 72 Cb 0.00 0.43 -0.10 0.00 0.80 0.00 0.00 33.01 34.14 2jsc s GLN 72 CO 0.00 -0.36 0.95 0.54 -0.50 0.00 0.00 175.29 175.93 2jsc s VAL 73 N -3.22 4.23 0.08 1.34 0.11 -1.26 -1.24 120.40 120.44 2jsc s VAL 73 Ca -0.01 1.72 0.08 0.00 -2.93 0.00 0.00 61.98 60.84 2jsc s VAL 73 Cb 0.01 -3.89 -0.03 0.00 -1.53 0.00 0.00 36.38 30.93 2jsc s VAL 73 CO -0.08 0.02 -0.21 0.00 -3.33 0.00 0.00 175.10 171.50 2jsc s ARG 74 N -2.35 1.23 -0.16 1.54 1.70 0.11 -3.98 118.95 117.03 2jsc s ARG 74 Ca 0.53 -1.09 -0.08 0.00 -0.47 0.00 0.00 55.73 54.62 2jsc s ARG 74 Cb -0.16 -1.45 -0.04 0.00 -0.57 0.00 0.00 34.95 32.72 2jsc s ARG 74 CO 0.21 0.35 0.13 0.71 -1.08 0.00 0.00 175.30 175.62 2jsc s TYR 75 N -1.03 3.48 0.07 5.89 2.02 -1.26 -1.71 117.35 124.81 2jsc s TYR 75 Ca 0.07 0.41 -0.08 0.00 -0.37 0.00 0.00 57.07 57.10 2jsc s TYR 75 Cb -0.10 -2.04 -0.01 0.00 -0.40 0.00 0.00 41.96 39.42 2jsc s TYR 75 CO 0.03 0.50 0.16 0.00 -1.57 0.00 0.00 175.55 174.68 2jsc s ALA 76 N -0.34 -0.16 0.77 3.71 0.00 -0.16 -4.33 121.76 121.25 2jsc s ALA 76 Ca 0.11 -0.59 -0.15 0.00 0.00 0.00 0.00 51.96 51.33 2jsc s ALA 76 Cb -0.12 0.39 0.03 0.00 0.00 0.00 0.00 23.12 23.43 2jsc s ALA 76 CO 0.01 -0.44 0.93 -0.11 0.00 0.00 0.00 175.76 176.15 2jsc n LEU 77 N 0.21 3.10 0.04 0.00 7.94 -1.26 -0.35 117.00 126.67 2jsc n LEU 77 Ca -0.16 0.60 0.02 0.00 -1.11 0.00 0.00 56.01 55.36 2jsc n LEU 77 Cb 0.61 -1.40 0.13 0.00 0.53 0.00 0.00 43.42 43.29 2jsc n LEU 77 CO 0.23 -2.22 0.57 0.00 -1.11 0.00 0.00 177.39 174.86 2jsc n ALA 78 N -2.87 0.97 0.00 1.96 0.00 -0.23 -4.66 120.51 115.67 2jsc n ALA 78 Ca 0.12 0.04 0.00 0.00 0.00 0.00 0.00 53.44 53.61 2jsc n ALA 78 Cb 0.50 -1.03 0.00 0.00 0.00 0.00 0.00 19.45 18.93 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 -1.65 0.00 0.08 0.00 2.03 -1.26 -4.93 116.55 110.83 2jsc n ASP 79 Ca -0.00 0.00 0.14 0.00 0.52 0.00 0.00 54.79 55.45 2jsc n ASP 79 Cb 0.03 0.00 0.27 0.00 -0.72 0.00 0.00 41.12 40.70 2jsc n ASP 79 CO 0.00 0.00 0.00 0.28 -1.92 0.00 0.00 177.20 175.56 2jsc h SER 80 N 0.00 0.00 0.46 1.67 0.02 -1.98 -2.11 113.55 111.62 2jsc h SER 80 Ca 0.00 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 60.93 2jsc h SER 80 Cb 0.00 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.54 2jsc h SER 80 CO 0.00 0.00 -0.22 -0.74 -1.14 0.00 0.00 176.83 174.73 2jsc h HIS 81 N 0.00 -0.58 -0.70 3.45 2.76 -1.98 -1.66 115.15 116.44 2jsc h HIS 81 Ca 0.22 -0.01 0.07 0.00 -2.20 0.00 0.00 60.37 58.45 2jsc h HIS 81 Cb 2.29 0.19 -0.06 0.00 1.55 0.00 0.00 27.41 31.38 2jsc h HIS 81 CO 0.00 -0.36 0.39 -0.07 -1.30 0.00 0.00 177.93 176.58 2jsc h LEU 82 N -0.76 0.56 -0.69 0.26 3.38 -1.76 -3.05 115.31 113.26 2jsc h LEU 82 Ca -0.06 0.04 0.11 0.00 0.09 0.00 0.00 57.88 58.05 2jsc h LEU 82 Cb 0.48 -0.07 -0.08 0.00 0.09 0.00 0.00 40.66 41.08 2jsc h LEU 82 CO 0.10 0.35 0.30 0.00 0.09 0.00 0.00 178.44 179.29 2jsc h ALA 83 N 1.37 0.94 0.00 1.53 0.00 -1.45 -0.54 119.26 121.12 2jsc h ALA 83 Ca 0.32 0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.31 2jsc h ALA 83 Cb 0.23 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.04 2jsc h ALA 83 CO -0.20 -0.14 0.00 0.07 0.00 0.00 0.00 179.25 178.98 2jsc h ARG 84 N 0.50 0.00 0.01 0.00 0.11 -1.18 0.13 114.38 113.95 2jsc h ARG 84 Ca 0.35 0.00 -0.31 0.00 0.10 0.00 0.00 59.98 60.12 2jsc h ARG 84 Cb 0.44 0.00 -0.04 0.00 1.11 0.00 0.00 29.97 31.48 2jsc h ARG 84 CO -0.32 0.00 -1.71 0.00 0.10 0.00 0.00 179.97 178.04 2jsc n ALA 85 N -1.80 0.92 -0.24 0.08 0.00 -0.83 -4.17 120.51 114.46 2jsc n ALA 85 Ca 0.05 -0.67 0.05 0.00 0.00 0.00 0.00 53.44 52.87 2jsc n ALA 85 Cb 0.43 -0.39 0.17 0.00 0.00 0.00 0.00 19.45 19.66 2jsc n ALA 85 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 2jsc h LEU 86 N -0.84 0.02 -1.01 0.00 5.85 -1.19 -1.89 115.31 116.25 2jsc h LEU 86 Ca -0.46 0.14 0.00 0.00 0.84 0.00 0.00 57.88 58.41 2jsc h LEU 86 Cb 1.49 0.19 0.00 0.00 0.37 0.00 0.00 40.66 42.71 2jsc h LEU 86 CO -0.23 -0.03 0.00 1.23 -0.34 0.00 0.00 178.44 179.08 2jsc h GLY 87 N 0.27 0.00 -1.63 3.75 0.00 -0.93 -2.19 103.07 102.34 2jsc h GLY 87 Ca 0.40 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.73 2jsc h GLY 87 CO -0.49 0.00 -0.08 -1.84 0.00 0.00 0.00 176.54 174.12 2jsc n GLU 88 N -2.99 1.94 -0.43 4.80 -0.00 -1.16 -4.99 120.64 117.81 2jsc n GLU 88 Ca 0.02 -1.66 0.00 0.00 -0.00 0.00 0.00 57.16 55.52 2jsc n GLU 88 Cb 0.35 -1.42 0.00 0.00 -0.00 0.00 0.00 31.44 30.37 2jsc n GLU 88 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.13 177.02 2jsc n LEU 89 N 1.01 -0.11 -1.68 -1.84 7.94 -0.82 -4.44 117.00 117.05 2jsc n LEU 89 Ca 0.12 0.00 -0.10 0.00 -1.11 0.00 0.00 56.01 54.92 2jsc n LEU 89 Cb 0.53 -0.16 0.03 0.00 0.53 0.00 0.00 43.42 44.35 2jsc n LEU 89 CO 0.16 0.00 0.06 0.52 -1.11 0.00 0.00 177.39 177.02 2jsc n VAL 90 N -2.18 -1.12 0.00 1.96 0.31 -0.72 -4.63 118.33 111.94 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 0.06 -2.38 0.00 0.00 -0.91 0.00 0.00 33.84 30.61 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 -2.34 0.00 -0.29 5.55 -0.06 -1.26 -4.77 117.38 114.20 2jsc n GLN 91 Ca -0.02 0.00 0.00 0.00 -2.00 0.00 0.00 57.00 54.98 2jsc n GLN 91 Cb 0.54 -0.54 0.00 0.00 -4.06 0.00 0.00 30.24 26.18 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 -1.60 1.22 -0.67 1.69 3.14 -1.26 -4.75 118.33 116.09 2jsc n VAL 92 Ca 0.00 -0.29 -0.01 0.00 -2.96 0.00 0.00 64.34 61.08 2jsc n VAL 92 Cb 0.00 -1.28 -0.00 0.00 -1.06 0.00 0.00 33.84 31.50 2jsc n VAL 92 CO 0.00 0.00 0.00 1.33 -6.46 0.00 0.00 176.83 171.70 2jsc n VAL 93 N 1.61 0.00 0.00 1.55 0.24 -1.26 -3.59 118.33 116.88 2jsc n VAL 93 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.30 2jsc n VAL 93 Cb 0.32 -0.66 0.00 0.00 -1.47 0.00 0.00 33.84 32.03 2jsc n VAL 93 CO 0.00 0.00 0.00 -0.11 -2.14 0.00 0.00 176.83 174.58 2jsc n LEU 94 N -0.11 0.00 -4.87 1.34 0.00 -1.26 -5.16 117.00 106.94 2jsc n LEU 94 Ca -0.01 0.00 -0.25 0.00 0.00 0.00 0.00 56.01 55.75 2jsc n LEU 94 Cb 0.32 0.00 -0.04 0.00 0.00 0.00 0.00 43.42 43.70 2jsc n LEU 94 CO 0.01 0.00 -0.15 0.00 0.00 0.00 0.00 177.39 177.25 2jsc s ALA 95 N 0.00 3.75 0.10 1.96 0.00 -1.24 -5.13 121.76 121.21 2jsc s ALA 95 Ca 0.00 -1.16 -0.02 0.00 0.00 0.00 0.00 51.96 50.78 2jsc s ALA 95 Cb 0.00 -1.55 -0.05 0.00 0.00 0.00 0.00 23.12 21.53 2jsc s ALA 95 CO 0.00 0.48 0.28 0.14 0.00 0.00 0.00 175.76 176.66 2jsc s VAL 96 N -1.79 5.30 -2.17 0.00 -7.23 -1.26 -5.03 120.40 108.21 2jsc s VAL 96 Ca 0.33 -0.24 0.23 0.00 -1.81 0.00 0.00 61.98 60.49 2jsc s VAL 96 Cb -0.10 -3.63 0.03 0.00 0.56 0.00 0.00 36.38 33.24 2jsc s VAL 96 CO 0.26 0.09 1.13 -0.90 -0.31 0.00 0.00 175.10 175.37 2jsc n ASP 97 N 0.16 2.14 -1.61 4.85 5.68 -1.26 -4.80 116.55 121.72 2jsc n ASP 97 Ca -0.04 -1.57 0.00 0.00 -0.50 0.00 0.00 54.79 52.68 2jsc n ASP 97 Cb 0.51 0.39 0.00 0.00 -1.14 0.00 0.00 41.12 40.89 2jsc n ASP 97 CO 0.00 0.00 0.00 0.41 -1.33 0.00 0.00 177.20 176.28 2jsc n THR 98 N 0.16 1.57 -2.84 2.12 -1.04 -1.26 -4.71 114.28 108.28 2jsc n THR 98 Ca 0.10 -0.39 -0.01 0.00 -2.04 0.00 0.00 64.05 61.71 2jsc n THR 98 Cb 0.48 -1.39 0.00 0.00 -1.82 0.00 0.00 70.33 67.60 2jsc n THR 98 CO 0.00 0.00 0.00 -0.67 -0.64 0.00 0.00 175.07 173.76 2jsc n ASP 99 N 1.61 -6.93 -4.09 8.00 2.03 -1.26 -5.05 116.55 110.86 2jsc n ASP 99 Ca 0.00 -0.08 -0.09 0.00 0.52 0.00 0.00 54.79 55.13 2jsc n ASP 99 Cb 0.39 -4.69 -0.09 0.00 -0.72 0.00 0.00 41.12 36.01 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 -3.05 0.94 0.80 -0.67 1.11 -1.26 -5.18 119.66 112.35 2jsc s GLN 100 Ca 0.02 -1.34 -0.10 0.00 0.01 0.00 0.00 55.36 53.95 2jsc s GLN 100 Cb -0.00 0.27 0.11 0.00 -1.01 0.00 0.00 33.01 32.38 2jsc s GLN 100 CO 0.64 -0.28 1.14 -1.25 0.01 0.00 0.00 175.29 175.55 2jsc s PRO 101 N -4.01 1.69 0.06 2.91 0.04 -1.26 -5.00 135.00 129.43 2jsc s PRO 101 Ca 0.20 -0.28 -0.27 0.00 0.04 0.00 0.00 61.00 60.70 2jsc s PRO 101 Cb 0.06 -2.04 -0.17 0.00 0.04 0.00 0.00 34.50 32.39 2jsc s PRO 101 CO -0.00 -1.65 1.58 0.00 0.04 0.00 0.00 177.00 176.96 2jsc n VAL 103 N -5.20 0.00 0.16 0.00 3.14 -1.26 -5.02 118.33 110.15 2jsc n VAL 103 Ca -0.10 0.00 0.01 0.00 -2.96 0.00 0.00 64.34 61.30 2jsc n VAL 103 Cb 0.19 0.00 0.26 0.00 -1.06 0.00 0.00 33.84 33.23 2jsc n VAL 103 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 2jsc h ALA 104 N 0.00 1.07 -2.74 1.55 0.00 -2.03 -3.42 119.26 113.69 2jsc h ALA 104 Ca 0.00 -0.46 -0.50 0.00 0.00 0.00 0.00 54.91 53.95 2jsc h ALA 104 Cb 0.00 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 2jsc h ALA 104 CO 0.00 0.63 0.31 -1.21 0.00 0.00 0.00 179.25 178.98 2jsc s GLU 105 N -3.74 4.78 0.00 0.00 2.02 -1.26 -5.20 118.70 115.31 2jsc s GLU 105 Ca -0.01 1.40 0.11 0.00 0.02 0.00 0.00 54.97 56.49 2jsc s GLU 105 Cb 0.13 -3.26 0.09 0.00 0.10 0.00 0.00 34.13 31.18 2jsc s GLU 105 CO 0.73 0.53 0.85 -2.13 0.02 0.00 0.00 175.26 175.26