#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 0.26 -0.43 0.00 4.77 -1.26 -0.88 117.00 119.46 2jsc n LEU 11 Ca 0.00 1.28 0.40 0.00 -0.03 0.00 0.00 56.01 57.66 2jsc n LEU 11 Cb 0.00 -0.63 0.76 0.00 -2.33 0.00 0.00 43.42 41.22 2jsc n LEU 11 CO 0.00 -1.43 1.36 0.00 -1.33 0.00 0.00 177.39 175.99 2jsc h ALA 12 N 1.54 3.29 -0.30 -1.18 0.00 -2.06 0.02 119.26 120.57 2jsc h ALA 12 Ca 0.68 -0.04 -0.11 0.00 0.00 0.00 0.00 54.91 55.44 2jsc h ALA 12 Cb 1.87 0.11 -0.01 0.00 0.00 0.00 0.00 17.79 19.75 2jsc h ALA 12 CO -0.57 -1.69 -0.28 0.00 0.00 0.00 0.00 179.25 176.70 2jsc h ARG 13 N 0.02 0.62 -0.15 0.00 2.47 -1.44 -2.90 114.38 113.00 2jsc h ARG 13 Ca 0.67 -0.26 -0.01 0.00 -1.26 0.00 0.00 59.98 59.13 2jsc h ARG 13 Cb 2.65 -0.02 -0.01 0.00 -1.65 0.00 0.00 29.97 30.94 2jsc h ARG 13 CO -0.03 0.84 0.07 1.25 0.56 0.00 0.00 179.97 182.66 2jsc h LEU 14 N 0.54 0.19 -0.80 3.04 7.12 -1.20 0.41 115.31 124.61 2jsc h LEU 14 Ca 0.07 -0.12 -0.05 0.00 0.13 0.00 0.00 57.88 57.92 2jsc h LEU 14 Cb 0.76 -0.05 -0.04 0.00 -0.53 0.00 0.00 40.66 40.80 2jsc h LEU 14 CO 0.06 0.26 0.32 1.23 -0.13 0.00 0.00 178.44 180.17 2jsc h GLY 15 N 0.12 1.29 1.62 3.75 0.00 -1.65 -1.16 103.07 107.03 2jsc h GLY 15 Ca 0.05 -0.70 -0.03 0.00 0.00 0.00 0.00 47.33 46.65 2jsc h GLY 15 CO -0.01 0.66 0.08 -0.09 0.00 0.00 0.00 176.54 177.18 2jsc h ARG 16 N 1.17 0.48 0.00 4.80 2.43 -1.27 -0.87 114.38 121.12 2jsc h ARG 16 Ca 0.27 -0.07 0.00 0.00 -0.81 0.00 0.00 59.98 59.36 2jsc h ARG 16 Cb 0.22 -0.09 0.00 0.00 -0.42 0.00 0.00 29.97 29.69 2jsc h ARG 16 CO -0.02 0.45 0.00 0.00 -1.51 0.00 0.00 179.97 178.89 2jsc h ALA 17 N 1.61 1.00 0.00 2.80 0.00 0.11 0.22 119.26 125.00 2jsc h ALA 17 Ca 0.11 0.00 -0.25 0.00 0.00 0.00 0.00 54.91 54.77 2jsc h ALA 17 Cb 0.19 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 17.94 2jsc h ALA 17 CO -0.00 0.00 -1.73 1.28 0.00 0.00 0.00 179.25 178.80 2jsc n LEU 18 N -2.98 0.69 -0.00 0.00 4.32 -0.78 -4.58 117.00 113.67 2jsc n LEU 18 Ca 0.00 0.32 0.10 0.00 -0.02 0.00 0.00 56.01 56.41 2jsc n LEU 18 Cb 0.25 0.18 -0.13 0.00 -1.62 0.00 0.00 43.42 42.10 2jsc n LEU 18 CO 0.25 0.30 -0.23 0.00 -1.22 0.00 0.00 177.39 176.49 2jsc n ALA 19 N -2.52 4.21 -1.72 -1.18 0.00 -0.40 -3.78 120.51 115.13 2jsc n ALA 19 Ca -0.16 -0.56 -0.42 0.00 0.00 0.00 0.00 53.44 52.29 2jsc n ALA 19 Cb 0.97 -0.74 -0.00 0.00 0.00 0.00 0.00 19.45 19.68 2jsc n ALA 19 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2jsc n ASP 20 N -1.68 2.93 0.00 0.00 9.92 0.73 -4.84 116.55 123.61 2jsc n ASP 20 Ca 0.02 1.19 0.00 0.00 -0.53 0.00 0.00 54.79 55.47 2jsc n ASP 20 Cb 0.38 -1.52 0.00 0.00 -0.64 0.00 0.00 41.12 39.35 2jsc n ASP 20 CO 0.00 0.00 0.00 -0.81 0.13 0.00 0.00 177.20 176.52 2jsc n PRO 21 N 0.42 0.00 0.25 -0.24 -0.04 -1.26 -1.12 135.00 133.01 2jsc n PRO 21 Ca 0.04 0.32 0.15 0.00 -0.04 0.00 0.00 63.50 63.97 2jsc n PRO 21 Cb 0.37 -1.14 0.84 0.00 -0.04 0.00 0.00 33.50 33.53 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 0.60 -0.36 0.52 2.02 -1.97 -2.61 112.91 111.11 2jsc h THR 22 Ca 0.00 0.00 -0.05 0.00 0.77 0.00 0.00 66.41 67.13 2jsc h THR 22 Cb 0.00 0.94 -0.01 0.00 -1.74 0.00 0.00 68.15 67.34 2jsc h THR 22 CO 0.00 0.00 0.01 0.03 0.37 0.00 0.00 175.52 175.93 2jsc h ARG 23 N 0.00 0.62 -0.21 6.66 3.08 -1.75 0.26 114.38 123.04 2jsc h ARG 23 Ca 0.03 -0.19 0.05 0.00 0.07 0.00 0.00 59.98 59.95 2jsc h ARG 23 Cb 0.18 -0.06 -0.05 0.00 0.08 0.00 0.00 29.97 30.12 2jsc h ARG 23 CO -0.00 0.72 -0.13 0.00 -1.07 0.00 0.00 179.97 179.50 2jsc h ARG 25 N -0.11 1.14 0.12 0.00 2.43 -1.40 -0.47 114.38 116.09 2jsc h ARG 25 Ca 0.12 -0.18 0.02 0.00 -0.81 0.00 0.00 59.98 59.13 2jsc h ARG 25 Cb 0.29 -0.20 -0.04 0.00 -0.42 0.00 0.00 29.97 29.60 2jsc h ARG 25 CO -0.28 0.90 -0.39 0.82 -1.51 0.00 0.00 179.97 179.51 2jsc h ILE 26 N 1.11 0.20 -0.40 1.20 1.08 -0.27 -1.41 117.51 119.02 2jsc h ILE 26 Ca 0.27 0.00 -0.01 0.00 -0.39 0.00 0.00 64.86 64.72 2jsc h ILE 26 Cb 0.15 0.20 -0.02 0.00 -3.07 0.00 0.00 36.82 34.09 2jsc h ILE 26 CO -0.03 0.00 0.19 -0.07 -0.69 0.00 0.00 178.15 177.55 2jsc h LEU 27 N -0.62 0.52 -1.29 1.44 3.38 -0.52 -1.10 115.31 117.12 2jsc h LEU 27 Ca 0.03 -0.12 -0.05 0.00 0.09 0.00 0.00 57.88 57.82 2jsc h LEU 27 Cb 0.65 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.26 2jsc h LEU 27 CO -0.23 0.50 -0.23 1.62 0.09 0.00 0.00 178.44 180.19 2jsc h VAL 28 N 0.50 0.63 -0.00 1.22 3.04 -1.12 -1.98 116.25 118.54 2jsc h VAL 28 Ca 0.14 -1.05 0.00 0.00 -1.01 0.00 0.00 66.70 64.78 2jsc h VAL 28 Cb 0.11 1.69 0.00 0.00 -2.01 0.00 0.00 31.29 31.08 2jsc h VAL 28 CO -0.02 0.22 -0.06 0.00 -1.01 0.00 0.00 177.57 176.70 2jsc n ALA 29 N -2.26 2.53 1.01 3.17 0.00 -0.54 -3.48 120.51 120.96 2jsc n ALA 29 Ca -0.00 -0.15 0.11 0.00 0.00 0.00 0.00 53.44 53.40 2jsc n ALA 29 Cb 0.40 -1.43 0.09 0.00 0.00 0.00 0.00 19.45 18.51 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 -1.40 0.80 0.08 0.00 4.77 -0.46 -0.26 117.00 120.53 2jsc n LEU 30 Ca 0.09 -0.26 0.11 0.00 -0.03 0.00 0.00 56.01 55.92 2jsc n LEU 30 Cb 0.31 -0.13 0.44 0.00 -2.33 0.00 0.00 43.42 41.72 2jsc n LEU 30 CO 0.27 0.19 0.84 -0.11 -1.33 0.00 0.00 177.39 177.25 2jsc n LEU 31 N -1.39 0.47 0.00 2.23 0.00 -1.12 -4.20 117.00 112.99 2jsc n LEU 31 Ca 0.05 0.60 0.00 0.00 0.00 0.00 0.00 56.01 56.66 2jsc n LEU 31 Cb 0.34 -0.51 0.00 0.00 0.00 0.00 0.00 43.42 43.25 2jsc n LEU 31 CO 0.38 -0.38 0.00 -0.67 0.00 0.00 0.00 177.39 176.72 2jsc n ASP 32 N -2.00 0.00 0.09 1.96 -0.08 -1.24 -5.02 116.55 110.26 2jsc n ASP 32 Ca 0.03 0.00 -0.04 0.00 -1.51 0.00 0.00 54.79 53.27 2jsc n ASP 32 Cb 0.26 0.02 -0.02 0.00 2.34 0.00 0.00 41.12 43.71 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 0.00 -0.27 -2.18 0.27 0.00 -0.87 -3.46 103.07 96.56 2jsc h GLY 33 Ca 0.00 0.10 -0.02 0.00 0.00 0.00 0.00 47.33 47.41 2jsc h GLY 33 CO 0.00 -0.10 -0.02 3.33 0.00 0.00 0.00 176.54 179.75 2jsc n VAL 34 N -3.24 -0.00 -0.04 4.60 0.24 -1.26 -4.78 118.33 113.85 2jsc n VAL 34 Ca -0.03 0.00 -0.02 0.00 -2.04 0.00 0.00 64.34 62.25 2jsc n VAL 34 Cb 0.10 -0.12 -0.01 0.00 -1.47 0.00 0.00 33.84 32.35 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 -1.60 -0.09 -0.02 0.00 1.13 -1.26 -4.13 117.35 111.38 2jsc s TYR 36 Ca -0.05 -0.26 -0.32 0.00 -1.41 0.00 0.00 57.07 55.03 2jsc s TYR 36 Cb 0.01 0.16 -0.10 0.00 -1.10 0.00 0.00 41.96 40.92 2jsc s TYR 36 CO 0.07 -0.65 1.94 -0.35 -2.51 0.00 0.00 175.55 174.06 2jsc n PRO 37 N -0.15 2.57 -0.62 -3.49 -0.04 -1.26 -0.48 135.00 131.53 2jsc n PRO 37 Ca -0.16 0.94 0.00 0.00 -0.04 0.00 0.00 63.50 64.25 2jsc n PRO 37 Cb 0.63 -2.85 0.00 0.00 -0.04 0.00 0.00 33.50 31.24 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 4.50 0.81 0.33 0.55 0.00 -1.26 -4.93 105.19 105.20 2jsc n GLY 38 Ca 0.21 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.21 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 3.73 0.97 -0.33 1.61 -0.00 -1.18 -2.20 115.11 117.71 2jsc h GLN 39 Ca 0.00 -0.13 0.10 0.00 -0.00 0.00 0.00 58.65 58.62 2jsc h GLN 39 Cb 0.00 -0.18 -0.01 0.00 -0.00 0.00 0.00 27.48 27.28 2jsc h GLN 39 CO 0.00 0.75 0.30 -0.07 -0.00 0.00 0.00 178.83 179.81 2jsc h LEU 40 N 0.97 0.00 -1.97 0.06 3.38 -1.92 -2.83 115.31 113.00 2jsc h LEU 40 Ca 0.24 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.21 2jsc h LEU 40 Cb 0.09 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.84 2jsc h LEU 40 CO -0.03 0.00 0.03 0.00 0.09 0.00 0.00 178.44 178.53 2jsc h ALA 41 N 1.71 1.99 0.06 1.53 0.00 -1.57 0.11 119.26 123.09 2jsc h ALA 41 Ca 0.16 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 55.06 2jsc h ALA 41 Cb 0.76 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.54 2jsc h ALA 41 CO -0.00 0.00 -0.03 0.00 0.00 0.00 0.00 179.25 179.22 2jsc h ALA 42 N 1.98 -0.09 -0.98 0.00 0.00 -1.69 -2.57 119.26 115.91 2jsc h ALA 42 Ca 0.02 -0.28 0.23 0.00 0.00 0.00 0.00 54.91 54.88 2jsc h ALA 42 Cb 0.02 0.03 -0.08 0.00 0.00 0.00 0.00 17.79 17.77 2jsc h ALA 42 CO -0.00 -0.14 0.64 0.45 0.00 0.00 0.00 179.25 180.20 2jsc h HIS 43 N -0.91 0.57 0.00 0.00 -0.00 -1.42 -2.51 115.15 110.87 2jsc h HIS 43 Ca -0.01 0.02 0.00 0.00 -0.00 0.00 0.00 60.37 60.38 2jsc h HIS 43 Cb 0.59 -0.17 0.00 0.00 -0.00 0.00 0.00 27.41 27.83 2jsc h HIS 43 CO 0.14 0.11 -1.33 1.28 -0.00 0.00 0.00 177.93 178.12 2jsc n LEU 44 N -4.54 0.58 -0.27 2.43 4.77 0.30 -4.99 117.00 115.27 2jsc n LEU 44 Ca 0.22 -0.31 -0.03 0.00 -0.03 0.00 0.00 56.01 55.86 2jsc n LEU 44 Cb 0.79 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.87 2jsc n LEU 44 CO 0.29 0.15 -0.03 0.61 -1.33 0.00 0.00 177.39 177.07 2jsc n GLY 45 N 1.42 0.54 3.24 -0.72 0.00 -0.95 -5.00 105.19 103.71 2jsc n GLY 45 Ca 0.01 -0.15 -0.27 0.00 0.00 0.00 0.00 46.02 45.60 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 -0.79 2.07 0.86 0.99 1.43 -1.01 -5.01 118.68 117.21 2jsc s LEU 46 Ca 0.00 -0.42 -0.12 0.00 -1.03 0.00 0.00 54.13 52.56 2jsc s LEU 46 Cb 0.00 -1.06 0.10 0.00 0.03 0.00 0.00 46.19 45.26 2jsc s LEU 46 CO 0.00 0.24 1.11 0.35 0.23 0.00 0.00 176.35 178.28 2jsc n THR 47 N 2.37 1.17 -0.03 5.49 -2.24 -1.26 -4.24 114.28 115.53 2jsc n THR 47 Ca -0.16 -0.14 0.23 0.00 -2.27 0.00 0.00 64.05 61.72 2jsc n THR 47 Cb 0.53 -1.08 0.72 0.00 -2.10 0.00 0.00 70.33 68.40 2jsc n THR 47 CO 0.00 0.00 0.00 0.03 -0.57 0.00 0.00 175.07 174.53 2jsc h ARG 48 N -1.29 0.00 0.14 -0.78 3.08 -1.92 0.14 114.38 113.74 2jsc h ARG 48 Ca -0.45 0.00 -0.28 0.00 0.07 0.00 0.00 59.98 59.32 2jsc h ARG 48 Cb 1.29 0.00 0.01 0.00 0.08 0.00 0.00 29.97 31.35 2jsc h ARG 48 CO 0.43 0.00 -1.25 1.03 -1.07 0.00 0.00 179.97 179.11 2jsc h SER 49 N 0.00 0.58 -0.36 7.04 0.87 -2.00 -2.87 113.55 116.81 2jsc h SER 49 Ca 0.29 -0.59 -0.13 0.00 -1.23 0.00 0.00 61.79 60.13 2jsc h SER 49 Cb 1.26 -0.19 -0.01 0.00 -0.44 0.00 0.00 62.40 63.02 2jsc h SER 49 CO -0.00 1.44 -0.25 -1.13 -0.53 0.00 0.00 176.83 176.35 2jsc h ASN 50 N 0.14 0.90 -0.59 6.23 -1.24 -1.40 -2.67 115.58 116.94 2jsc h ASN 50 Ca -0.16 -0.35 0.05 0.00 0.71 0.00 0.00 56.30 56.55 2jsc h ASN 50 Cb 1.95 -0.25 -0.05 0.00 0.73 0.00 0.00 38.32 40.70 2jsc h ASN 50 CO 0.22 1.10 0.32 0.58 -1.29 0.00 0.00 177.43 178.36 2jsc h VAL 51 N 0.75 0.97 -0.65 2.57 2.07 -0.89 -2.15 116.25 118.92 2jsc h VAL 51 Ca 0.09 -0.21 -0.07 0.00 0.82 0.00 0.00 66.70 67.33 2jsc h VAL 51 Cb 0.80 0.31 -0.03 0.00 -1.52 0.00 0.00 31.29 30.86 2jsc h VAL 51 CO 0.07 0.11 0.12 0.77 0.02 0.00 0.00 177.57 178.66 2jsc h SER 52 N 0.61 1.00 -0.57 0.57 4.64 -1.46 -0.55 113.55 117.78 2jsc h SER 52 Ca 0.26 -0.22 0.10 0.00 -0.47 0.00 0.00 61.79 61.46 2jsc h SER 52 Cb 0.15 -0.26 -0.03 0.00 -0.31 0.00 0.00 62.40 61.94 2jsc h SER 52 CO -0.16 0.98 0.38 0.78 -0.87 0.00 0.00 176.83 177.94 2jsc h ASN 53 N 0.99 0.30 0.53 4.97 4.21 -1.06 -1.70 115.58 123.82 2jsc h ASN 53 Ca 0.20 0.01 0.00 0.00 1.21 0.00 0.00 56.30 57.72 2jsc h ASN 53 Cb 0.40 -0.05 0.00 0.00 -1.12 0.00 0.00 38.32 37.55 2jsc h ASN 53 CO 0.01 0.18 -1.43 1.41 -1.29 0.00 0.00 177.43 176.31 2jsc n HIS 54 N -4.46 0.51 0.17 1.19 8.25 -0.86 -4.23 115.22 115.79 2jsc n HIS 54 Ca 0.09 0.15 0.02 0.00 -0.26 0.00 0.00 57.72 57.73 2jsc n HIS 54 Cb 0.40 -0.73 0.30 0.00 1.12 0.00 0.00 29.99 31.08 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 0.18 2.41 3.38 -0.37 -3.38 115.31 117.52 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 0.98 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.69 2jsc h LEU 55 CO 0.00 0.45 -0.50 0.77 0.09 0.00 0.00 178.44 179.25 2jsc h SER 56 N 0.00 -1.49 -0.64 -0.43 4.64 -1.51 -1.90 113.55 112.22 2jsc h SER 56 Ca -0.00 0.15 -0.08 0.00 -0.47 0.00 0.00 61.79 61.39 2jsc h SER 56 Cb 0.87 0.55 -0.03 0.00 -0.31 0.00 0.00 62.40 63.48 2jsc h SER 56 CO 0.06 -0.56 0.11 0.00 -0.87 0.00 0.00 176.83 175.57 2jsc h LEU 58 N 1.00 0.20 -0.09 0.00 5.85 -1.58 0.10 115.31 120.80 2jsc h LEU 58 Ca 0.20 0.02 -0.09 0.00 0.84 0.00 0.00 57.88 58.85 2jsc h LEU 58 Cb 0.42 -0.01 0.00 0.00 0.37 0.00 0.00 40.66 41.44 2jsc h LEU 58 CO 0.01 0.08 -0.30 0.03 -0.34 0.00 0.00 178.44 177.92 2jsc h ARG 59 N 0.20 0.36 0.00 1.25 3.08 -1.27 -0.89 114.38 117.11 2jsc h ARG 59 Ca 0.43 -0.27 -0.13 0.00 0.07 0.00 0.00 59.98 60.08 2jsc h ARG 59 Cb 1.39 0.05 -0.02 0.00 0.08 0.00 0.00 29.97 31.47 2jsc h ARG 59 CO -0.09 0.89 -0.62 0.78 -1.07 0.00 0.00 179.97 179.86 2jsc h GLY 60 N -0.10 0.00 1.56 0.04 0.00 -1.21 -1.28 103.07 102.08 2jsc h GLY 60 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.32 2jsc h GLY 60 CO 0.06 0.00 0.00 0.00 0.00 0.00 0.00 176.54 176.60 2jsc n GLY 62 N -0.39 2.34 0.34 0.00 0.00 -0.48 -4.88 105.19 102.12 2jsc n GLY 62 Ca 0.05 0.00 0.27 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 0.44 -8.66 0.99 3.38 -1.46 -3.38 115.31 106.61 2jsc h LEU 63 Ca 0.00 0.20 -0.67 0.00 0.09 0.00 0.00 57.88 57.50 2jsc h LEU 63 Cb 0.00 0.17 -0.27 0.00 0.09 0.00 0.00 40.66 40.65 2jsc h LEU 63 CO 0.00 -0.22 -0.79 0.68 0.09 0.00 0.00 178.44 178.20 2jsc s VAL 64 N -5.59 2.84 -0.04 1.22 -7.23 -0.45 -1.64 120.40 109.52 2jsc s VAL 64 Ca -0.09 -0.77 0.05 0.00 -1.81 0.00 0.00 61.98 59.36 2jsc s VAL 64 Cb 0.31 -2.14 -0.01 0.00 0.56 0.00 0.00 36.38 35.10 2jsc s VAL 64 CO 0.79 0.55 -0.19 -0.69 -0.31 0.00 0.00 175.10 175.25 2jsc s VAL 65 N -0.04 1.58 0.19 1.32 1.01 0.09 -4.31 120.40 120.24 2jsc s VAL 65 Ca -0.04 -0.82 -0.24 0.00 0.00 0.00 0.00 61.98 60.88 2jsc s VAL 65 Cb -0.14 -1.34 -0.08 0.00 0.00 0.00 0.00 36.38 34.82 2jsc s VAL 65 CO 0.04 0.45 0.77 0.00 0.00 0.00 0.00 175.10 176.36 2jsc s ALA 66 N -0.18 3.43 0.12 5.51 0.00 -1.26 -1.29 121.76 128.09 2jsc s ALA 66 Ca 0.00 0.32 -0.25 0.00 0.00 0.00 0.00 51.96 52.03 2jsc s ALA 66 Cb -0.10 -2.93 0.07 0.00 0.00 0.00 0.00 23.12 20.16 2jsc s ALA 66 CO 0.01 0.30 0.80 0.99 0.00 0.00 0.00 175.76 177.86 2jsc s THR 67 N -1.27 0.00 0.32 0.00 2.01 -0.84 -4.99 115.64 110.87 2jsc s THR 67 Ca 0.38 -0.28 -0.18 0.00 0.31 0.00 0.00 61.69 61.92 2jsc s THR 67 Cb -0.21 -1.36 -0.09 0.00 0.01 0.00 0.00 72.50 70.85 2jsc s THR 67 CO 0.25 0.00 0.79 -0.31 -0.69 0.00 0.00 174.62 174.65 2jsc s TYR 68 N -3.45 3.44 -0.32 4.92 2.02 -1.26 -0.23 117.35 122.48 2jsc s TYR 68 Ca 0.06 1.36 0.23 0.00 -0.37 0.00 0.00 57.07 58.35 2jsc s TYR 68 Cb -0.02 -2.64 0.00 0.00 -0.40 0.00 0.00 41.96 38.91 2jsc s TYR 68 CO -0.05 0.12 1.00 -0.85 -1.57 0.00 0.00 175.55 174.19 2jsc n GLU 69 N -0.12 0.52 0.00 -0.62 -0.00 0.35 -4.81 120.64 115.97 2jsc n GLU 69 Ca 0.03 0.06 0.00 0.00 -0.00 0.00 0.00 57.16 57.25 2jsc n GLU 69 Cb 0.53 -1.74 0.00 0.00 -0.00 0.00 0.00 31.44 30.23 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 1.24 3.18 0.11 -1.84 0.00 -1.26 -4.87 105.19 101.75 2jsc n GLY 70 Ca 0.00 -0.77 -0.14 0.00 0.00 0.00 0.00 46.02 45.11 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 0.68 -4.02 1.61 0.63 -1.26 -5.05 116.66 109.26 2jsc n ARG 71 Ca 0.00 0.20 -0.09 0.00 -0.92 0.00 0.00 57.85 57.04 2jsc n ARG 71 Cb 0.00 -1.67 -0.08 0.00 0.45 0.00 0.00 32.46 31.16 2jsc n ARG 71 CO 0.00 0.00 0.00 -1.14 -2.51 0.00 0.00 177.63 173.98 2jsc s GLN 72 N -2.55 0.99 0.35 -0.14 2.00 -1.26 -5.16 119.66 113.89 2jsc s GLN 72 Ca -0.16 -1.23 -0.16 0.00 -2.00 0.00 0.00 55.36 51.81 2jsc s GLN 72 Cb 0.07 0.32 -0.09 0.00 0.80 0.00 0.00 33.01 34.11 2jsc s GLN 72 CO 0.77 -0.32 0.78 0.14 -0.50 0.00 0.00 175.29 176.16 2jsc s VAL 73 N -3.97 4.62 0.13 1.34 -7.23 -1.26 -0.49 120.40 113.54 2jsc s VAL 73 Ca 0.17 1.04 0.02 0.00 -1.81 0.00 0.00 61.98 61.40 2jsc s VAL 73 Cb 0.05 -3.61 -0.04 0.00 0.56 0.00 0.00 36.38 33.33 2jsc s VAL 73 CO -0.02 -0.24 -0.03 0.00 -0.31 0.00 0.00 175.10 174.51 2jsc s ARG 74 N -3.08 0.96 0.17 4.82 1.70 0.68 -4.06 118.95 120.14 2jsc s ARG 74 Ca 0.56 -1.43 -0.00 0.00 -0.47 0.00 0.00 55.73 54.38 2jsc s ARG 74 Cb -0.10 -0.21 -0.04 0.00 -0.57 0.00 0.00 34.95 34.03 2jsc s ARG 74 CO 0.17 -0.08 0.35 0.71 -1.08 0.00 0.00 175.30 175.37 2jsc s TYR 75 N -3.66 3.49 0.17 5.89 2.02 -1.26 -1.98 117.35 122.01 2jsc s TYR 75 Ca 0.18 0.31 -0.21 0.00 -0.37 0.00 0.00 57.07 56.98 2jsc s TYR 75 Cb 0.06 -1.82 0.06 0.00 -0.40 0.00 0.00 41.96 39.85 2jsc s TYR 75 CO -0.00 0.43 0.58 0.00 -1.57 0.00 0.00 175.55 174.99 2jsc s ALA 76 N -1.79 -1.42 0.57 3.71 0.00 -0.41 -4.34 121.76 118.09 2jsc s ALA 76 Ca 0.38 0.27 -0.17 0.00 0.00 0.00 0.00 51.96 52.43 2jsc s ALA 76 Cb -0.11 0.86 -0.04 0.00 0.00 0.00 0.00 23.12 23.82 2jsc s ALA 76 CO 0.28 -0.79 1.08 -0.51 0.00 0.00 0.00 175.76 175.83 2jsc s LEU 77 N -2.79 3.60 0.22 0.00 1.43 -1.26 -0.73 118.68 119.16 2jsc s LEU 77 Ca 0.03 1.96 -0.07 0.00 -1.03 0.00 0.00 54.13 55.02 2jsc s LEU 77 Cb -0.01 -4.55 0.19 0.00 0.03 0.00 0.00 46.19 41.84 2jsc s LEU 77 CO -0.10 -1.20 1.83 0.00 0.23 0.00 0.00 176.35 177.11 2jsc h ALA 78 N 0.75 1.10 -2.74 4.21 0.00 -1.51 -3.43 119.26 117.64 2jsc h ALA 78 Ca -0.48 -0.15 0.04 0.00 0.00 0.00 0.00 54.91 54.32 2jsc h ALA 78 Cb 1.24 -0.34 -0.12 0.00 0.00 0.00 0.00 17.79 18.56 2jsc h ALA 78 CO 0.57 0.65 0.31 0.34 0.00 0.00 0.00 179.25 181.12 2jsc s ASP 79 N -6.25 -0.46 0.34 0.00 2.15 -1.26 -5.02 116.67 106.16 2jsc s ASP 79 Ca -0.13 -0.06 0.23 0.00 0.43 0.00 0.00 52.55 53.02 2jsc s ASP 79 Cb 0.16 0.54 1.20 0.00 -0.30 0.00 0.00 42.92 44.52 2jsc s ASP 79 CO 0.83 -0.88 1.31 -1.20 -0.17 0.00 0.00 175.17 175.05 2jsc n SER 80 N -0.35 0.22 0.05 -0.34 7.64 -1.26 -1.80 113.62 117.78 2jsc n SER 80 Ca -0.13 1.25 -0.11 0.00 1.01 0.00 0.00 58.87 60.89 2jsc n SER 80 Cb 0.63 -0.61 -0.05 0.00 -1.01 0.00 0.00 64.21 63.18 2jsc n SER 80 CO 0.00 0.00 0.00 0.45 -3.01 0.00 0.00 175.04 172.48 2jsc h HIS 81 N 0.00 -0.37 -0.15 1.43 3.86 -1.99 0.34 115.15 118.27 2jsc h HIS 81 Ca 0.72 0.01 -0.07 0.00 -1.16 0.00 0.00 60.37 59.87 2jsc h HIS 81 Cb 2.17 0.17 -0.00 0.00 1.06 0.00 0.00 27.41 30.80 2jsc h HIS 81 CO -0.01 -0.21 -0.20 -0.07 0.86 0.00 0.00 177.93 178.30 2jsc h LEU 82 N -0.24 0.43 -0.88 2.43 3.38 -1.78 -1.44 115.31 117.22 2jsc h LEU 82 Ca 0.05 -0.51 0.16 0.00 0.09 0.00 0.00 57.88 57.67 2jsc h LEU 82 Cb 0.30 -0.12 -0.10 0.00 0.09 0.00 0.00 40.66 40.83 2jsc h LEU 82 CO -0.15 0.86 0.46 0.00 0.09 0.00 0.00 178.44 179.70 2jsc h ALA 83 N 0.58 1.36 0.72 1.53 0.00 -1.48 0.41 119.26 122.37 2jsc h ALA 83 Ca 0.02 0.09 -0.04 0.00 0.00 0.00 0.00 54.91 54.98 2jsc h ALA 83 Cb 0.76 -0.02 0.01 0.00 0.00 0.00 0.00 17.79 18.54 2jsc h ALA 83 CO 0.05 -0.09 -0.34 0.00 0.00 0.00 0.00 179.25 178.86 2jsc h ARG 84 N 0.64 -0.93 -0.12 0.00 3.08 -0.85 0.41 114.38 116.61 2jsc h ARG 84 Ca 0.49 0.06 0.04 0.00 0.07 0.00 0.00 59.98 60.64 2jsc h ARG 84 Cb 0.72 0.21 -0.00 0.00 0.08 0.00 0.00 29.97 30.97 2jsc h ARG 84 CO -0.38 -0.61 0.16 0.00 -1.07 0.00 0.00 179.97 178.08 2jsc h ALA 85 N -1.22 1.64 0.17 0.04 0.00 -0.70 0.77 119.26 119.97 2jsc h ALA 85 Ca -0.10 -0.00 -0.31 0.00 0.00 0.00 0.00 54.91 54.49 2jsc h ALA 85 Cb 0.74 0.01 0.01 0.00 0.00 0.00 0.00 17.79 18.56 2jsc h ALA 85 CO 0.16 -0.23 -1.53 1.25 0.00 0.00 0.00 179.25 178.91 2jsc h LEU 86 N 0.00 0.58 0.11 0.00 6.46 -0.98 0.77 115.31 122.24 2jsc h LEU 86 Ca 0.06 -0.91 -0.01 0.00 -0.12 0.00 0.00 57.88 56.90 2jsc h LEU 86 Cb 0.38 -0.19 0.00 0.00 -0.73 0.00 0.00 40.66 40.13 2jsc h LEU 86 CO -0.00 1.69 -0.05 1.23 -0.62 0.00 0.00 178.44 180.69 2jsc h GLY 87 N 0.31 -0.16 2.00 3.75 0.00 0.10 -2.97 103.07 106.10 2jsc h GLY 87 Ca -0.30 0.06 0.00 0.00 0.00 0.00 0.00 47.33 47.09 2jsc h GLY 87 CO 0.16 -0.06 0.00 -1.84 0.00 0.00 0.00 176.54 174.80 2jsc n GLU 88 N -4.84 0.02 -0.45 4.80 0.00 0.07 -5.00 120.64 115.23 2jsc n GLU 88 Ca -0.06 0.21 0.00 0.00 0.00 0.00 0.00 57.16 57.31 2jsc n GLU 88 Cb 0.24 -1.53 0.00 0.00 0.00 0.00 0.00 31.44 30.15 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 -1.55 -1.56 -0.55 -1.84 7.94 -1.12 -4.66 117.00 113.66 2jsc n LEU 89 Ca 0.04 0.86 0.00 0.00 -1.11 0.00 0.00 56.01 55.80 2jsc n LEU 89 Cb 0.21 -0.12 0.00 0.00 0.53 0.00 0.00 43.42 44.04 2jsc n LEU 89 CO 0.17 0.09 0.09 1.33 -1.11 0.00 0.00 177.39 177.96 2jsc n VAL 90 N -0.89 0.04 0.00 1.96 0.24 0.26 -4.76 118.33 115.17 2jsc n VAL 90 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.30 2jsc n VAL 90 Cb 0.00 -0.22 0.00 0.00 -1.47 0.00 0.00 33.84 32.15 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 0.38 0.00 -0.07 7.34 1.13 -1.26 -4.83 117.38 120.08 2jsc n GLN 91 Ca 0.00 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.06 2jsc n GLN 91 Cb 0.09 -1.62 0.00 0.00 0.11 0.00 0.00 30.24 28.83 2jsc n GLN 91 CO 0.00 0.00 0.00 1.55 -1.44 0.00 0.00 177.06 177.17 2jsc n VAL 92 N -1.98 0.43 -0.99 5.09 3.14 -1.26 -4.71 118.33 118.04 2jsc n VAL 92 Ca 0.00 -0.07 -0.06 0.00 -2.96 0.00 0.00 64.34 61.25 2jsc n VAL 92 Cb 0.00 -0.88 -0.03 0.00 -1.06 0.00 0.00 33.84 31.87 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 1.32 0.00 0.00 1.55 0.24 -1.26 -3.99 118.33 116.19 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 0.15 -0.87 0.00 0.00 -1.47 0.00 0.00 33.84 31.64 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 -0.98 0.00 -4.23 1.34 7.94 -1.26 -4.99 117.00 114.81 2jsc n LEU 94 Ca -0.06 0.00 -0.32 0.00 -1.11 0.00 0.00 56.01 54.51 2jsc n LEU 94 Cb 0.34 0.00 -0.07 0.00 0.53 0.00 0.00 43.42 44.22 2jsc n LEU 94 CO 0.10 0.00 1.64 0.00 -1.11 0.00 0.00 177.39 178.01 2jsc n ALA 95 N 0.88 2.02 -1.18 1.96 0.00 -1.26 -4.96 120.51 117.96 2jsc n ALA 95 Ca 0.00 -3.01 -0.30 0.00 0.00 0.00 0.00 53.44 50.13 2jsc n ALA 95 Cb 0.00 -3.53 0.12 0.00 0.00 0.00 0.00 19.45 16.04 2jsc n ALA 95 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 2jsc s VAL 96 N 9.68 2.96 -1.86 0.00 -7.23 -1.26 -4.96 120.40 117.74 2jsc s VAL 96 Ca 0.67 0.31 0.06 0.00 -1.81 0.00 0.00 61.98 61.21 2jsc s VAL 96 Cb 0.04 -2.76 0.15 0.00 0.56 0.00 0.00 36.38 34.37 2jsc s VAL 96 CO 0.15 -0.41 0.86 0.47 -0.31 0.00 0.00 175.10 175.86 2jsc n ASP 97 N -3.74 0.00 -4.61 4.85 8.00 -1.26 -4.80 116.55 114.99 2jsc n ASP 97 Ca 0.08 -0.09 -0.43 0.00 0.71 0.00 0.00 54.79 55.07 2jsc n ASP 97 Cb 0.54 -0.07 -0.03 0.00 -0.02 0.00 0.00 41.12 41.54 2jsc n ASP 97 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 2jsc s THR 98 N -2.14 3.17 0.35 -3.53 -4.23 -1.26 -4.98 115.64 103.02 2jsc s THR 98 Ca 0.08 0.17 -0.28 0.00 -1.18 0.00 0.00 61.69 60.48 2jsc s THR 98 Cb 0.04 -3.20 -0.10 0.00 1.34 0.00 0.00 72.50 70.58 2jsc s THR 98 CO 0.07 -0.12 1.32 -0.62 -0.54 0.00 0.00 174.62 174.73 2jsc s ASP 99 N 7.11 6.62 -0.25 3.99 -1.08 -1.26 -5.03 116.67 126.76 2jsc s ASP 99 Ca 0.93 2.70 -0.13 0.00 -0.52 0.00 0.00 52.55 55.53 2jsc s ASP 99 Cb -0.31 -2.65 0.09 0.00 -1.46 0.00 0.00 42.92 38.59 2jsc s ASP 99 CO 0.35 -0.64 0.60 -1.58 0.52 0.00 0.00 175.17 174.42 2jsc s GLN 100 N -1.94 0.58 -0.21 4.34 2.00 -1.26 -5.12 119.66 118.04 2jsc s GLN 100 Ca 0.51 1.16 -0.29 0.00 -2.00 0.00 0.00 55.36 54.75 2jsc s GLN 100 Cb -0.40 0.27 -0.02 0.00 0.80 0.00 0.00 33.01 33.67 2jsc s GLN 100 CO 0.52 -0.17 1.39 -1.25 -0.50 0.00 0.00 175.29 175.28 2jsc s PRO 101 N 1.93 4.02 0.00 1.67 0.04 -1.26 -3.25 135.00 138.15 2jsc s PRO 101 Ca -0.08 1.57 0.00 0.00 0.04 0.00 0.00 61.00 62.52 2jsc s PRO 101 Cb -0.08 -3.89 0.00 0.00 0.04 0.00 0.00 34.50 30.58 2jsc s PRO 101 CO -0.18 -0.99 0.00 0.00 0.04 0.00 0.00 177.00 175.87 2jsc n VAL 103 N 0.00 0.00 0.29 0.00 3.14 -1.20 -5.01 118.33 115.54 2jsc n VAL 103 Ca 0.00 0.00 0.15 0.00 -2.96 0.00 0.00 64.34 61.53 2jsc n VAL 103 Cb 0.00 0.00 0.48 0.00 -1.06 0.00 0.00 33.84 33.26 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 1.00 -5.02 1.55 0.00 -1.90 -3.47 119.26 111.42 2jsc h ALA 104 Ca 0.00 0.00 -0.55 0.00 0.00 0.00 0.00 54.91 54.36 2jsc h ALA 104 Cb 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 17.79 17.70 2jsc h ALA 104 CO 0.00 0.00 -0.37 0.39 0.00 0.00 0.00 179.25 179.27 2jsc n GLU 105 N -2.98 0.93 0.00 0.00 -0.58 -1.07 -5.10 120.64 111.84 2jsc n GLU 105 Ca 0.02 -3.09 0.00 0.00 -0.42 0.00 0.00 57.16 53.67 2jsc n GLU 105 Cb 0.38 0.74 0.00 0.00 -0.57 0.00 0.00 31.44 31.99 2jsc n GLU 105 CO 0.00 0.00 0.00 -2.13 -0.48 0.00 0.00 177.13 174.52