#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 0.93 0.00 0.00 8.10 -2.00 0.85 115.31 123.19 2jsc h LEU 11 Ca 0.00 0.02 0.00 0.00 0.11 0.00 0.00 57.88 58.01 2jsc h LEU 11 Cb 0.00 -0.18 0.00 0.00 -0.44 0.00 0.00 40.66 40.04 2jsc h LEU 11 CO 0.00 0.58 0.00 0.00 -4.11 0.00 0.00 178.44 174.91 2jsc n ALA 12 N -2.36 2.23 -0.01 0.17 0.00 -1.26 -2.01 120.51 117.26 2jsc n ALA 12 Ca 0.14 -0.11 0.03 0.00 0.00 0.00 0.00 53.44 53.51 2jsc n ALA 12 Cb 0.20 -1.28 -0.07 0.00 0.00 0.00 0.00 19.45 18.30 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 -0.94 0.55 0.52 0.00 3.00 0.21 -4.24 116.66 115.77 2jsc n ARG 13 Ca 0.13 -0.07 -0.21 0.00 -0.01 0.00 0.00 57.85 57.69 2jsc n ARG 13 Cb 0.06 -1.20 -0.10 0.00 0.00 0.00 0.00 32.46 31.22 2jsc n ARG 13 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.63 178.88 2jsc h LEU 14 N 0.00 -1.12 -1.67 0.55 7.12 -0.72 0.11 115.31 119.57 2jsc h LEU 14 Ca -0.03 0.04 -0.04 0.00 0.13 0.00 0.00 57.88 57.98 2jsc h LEU 14 Cb 0.52 0.29 -0.01 0.00 -0.53 0.00 0.00 40.66 40.93 2jsc h LEU 14 CO 0.00 -0.80 -0.19 1.23 -0.13 0.00 0.00 178.44 178.55 2jsc h GLY 15 N -1.33 0.00 0.51 3.75 0.00 -1.80 -0.82 103.07 103.38 2jsc h GLY 15 Ca -0.14 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.19 2jsc h GLY 15 CO 0.22 0.00 -0.05 -0.09 0.00 0.00 0.00 176.54 176.62 2jsc h ARG 16 N 0.00 -0.13 0.00 4.80 1.12 -1.72 -2.48 114.38 115.97 2jsc h ARG 16 Ca -0.00 0.01 -0.08 0.00 -1.11 0.00 0.00 59.98 58.80 2jsc h ARG 16 Cb 0.40 0.03 -0.01 0.00 -0.01 0.00 0.00 29.97 30.38 2jsc h ARG 16 CO 0.02 0.32 -0.37 0.00 -3.11 0.00 0.00 179.97 176.83 2jsc h ALA 17 N 0.18 0.90 -0.00 2.80 0.00 -0.39 0.51 119.26 123.25 2jsc h ALA 17 Ca -0.01 -0.34 0.00 0.00 0.00 0.00 0.00 54.91 54.56 2jsc h ALA 17 Cb 0.50 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.23 2jsc h ALA 17 CO 0.02 0.46 -0.10 1.28 0.00 0.00 0.00 179.25 180.91 2jsc n LEU 18 N -3.39 0.23 -0.03 0.00 4.32 -0.35 -3.56 117.00 114.22 2jsc n LEU 18 Ca 0.01 0.21 -0.16 0.00 -0.02 0.00 0.00 56.01 56.05 2jsc n LEU 18 Cb 0.56 -0.30 -0.14 0.00 -1.62 0.00 0.00 43.42 41.92 2jsc n LEU 18 CO 0.37 0.05 -0.81 0.00 -1.22 0.00 0.00 177.39 175.78 2jsc n ALA 19 N -1.25 1.22 -1.61 -1.18 0.00 -0.57 -4.58 120.51 112.54 2jsc n ALA 19 Ca 0.11 -0.78 -0.54 0.00 0.00 0.00 0.00 53.44 52.23 2jsc n ALA 19 Cb 0.29 -0.62 -0.06 0.00 0.00 0.00 0.00 19.45 19.05 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 -3.24 1.70 0.00 0.00 9.92 0.07 -4.85 116.55 120.14 2jsc n ASP 20 Ca -0.29 1.11 0.00 0.00 -0.53 0.00 0.00 54.79 55.09 2jsc n ASP 20 Cb 1.05 -1.16 0.00 0.00 -0.64 0.00 0.00 41.12 40.37 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 3.08 0.00 0.28 -0.24 -0.04 -1.26 -1.03 135.00 135.79 2jsc n PRO 21 Ca 0.20 0.10 0.18 0.00 -0.04 0.00 0.00 63.50 63.95 2jsc n PRO 21 Cb 0.17 -0.70 0.93 0.00 -0.04 0.00 0.00 33.50 33.86 2jsc n PRO 21 CO 0.00 0.00 0.00 1.79 -0.04 0.00 0.00 175.50 177.25 2jsc h THR 22 N 0.00 0.18 -0.10 0.52 1.35 -1.91 -2.70 112.91 110.25 2jsc h THR 22 Ca 0.00 0.00 -0.22 0.00 -0.55 0.00 0.00 66.41 65.64 2jsc h THR 22 Cb 0.00 0.82 0.01 0.00 -1.73 0.00 0.00 68.15 67.25 2jsc h THR 22 CO 0.00 0.00 -0.80 0.03 -0.25 0.00 0.00 175.52 174.50 2jsc h ARG 23 N 0.00 0.72 -0.17 4.72 3.08 -1.76 0.29 114.38 121.26 2jsc h ARG 23 Ca 0.04 -0.64 0.00 0.00 0.07 0.00 0.00 59.98 59.45 2jsc h ARG 23 Cb 0.44 0.15 -0.01 0.00 0.08 0.00 0.00 29.97 30.63 2jsc h ARG 23 CO -0.00 1.24 0.11 0.00 -1.07 0.00 0.00 179.97 180.25 2jsc h ARG 25 N 0.22 0.73 0.03 0.00 9.65 -1.49 0.07 114.38 123.60 2jsc h ARG 25 Ca 0.06 -0.10 0.03 0.00 -1.10 0.00 0.00 59.98 58.86 2jsc h ARG 25 Cb -0.02 -0.13 -0.04 0.00 -1.39 0.00 0.00 29.97 28.39 2jsc h ARG 25 CO -0.01 0.60 -0.22 0.82 2.80 0.00 0.00 179.97 183.96 2jsc h ILE 26 N 0.72 0.50 -0.34 1.20 1.08 -0.21 -3.20 117.51 117.27 2jsc h ILE 26 Ca 0.18 0.00 -0.03 0.00 -0.39 0.00 0.00 64.86 64.62 2jsc h ILE 26 Cb 0.14 0.50 -0.01 0.00 -3.07 0.00 0.00 36.82 34.37 2jsc h ILE 26 CO -0.02 0.00 0.11 -0.07 -0.69 0.00 0.00 178.15 177.48 2jsc h LEU 27 N -0.36 0.48 -2.21 1.44 3.38 -0.21 -0.87 115.31 116.97 2jsc h LEU 27 Ca 0.05 -0.20 0.04 0.00 0.09 0.00 0.00 57.88 57.86 2jsc h LEU 27 Cb 0.42 -0.13 -0.00 0.00 0.09 0.00 0.00 40.66 41.04 2jsc h LEU 27 CO -0.18 0.55 0.11 -0.37 0.09 0.00 0.00 178.44 178.65 2jsc h VAL 28 N 0.39 0.66 0.00 1.22 -1.51 -1.06 -1.03 116.25 114.92 2jsc h VAL 28 Ca 0.11 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.58 2jsc h VAL 28 Cb 0.24 0.91 0.00 0.00 -2.13 0.00 0.00 31.29 30.31 2jsc h VAL 28 CO -0.00 0.00 -1.44 0.00 -1.23 0.00 0.00 177.57 174.90 2jsc n ALA 29 N -2.42 2.93 -0.13 5.19 0.00 -1.05 -4.11 120.51 120.92 2jsc n ALA 29 Ca 0.00 -0.41 -0.12 0.00 0.00 0.00 0.00 53.44 52.91 2jsc n ALA 29 Cb 0.23 -0.91 -0.02 0.00 0.00 0.00 0.00 19.45 18.75 2jsc n ALA 29 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 2jsc h LEU 30 N 0.00 0.90 -0.38 0.00 3.38 0.14 -2.81 115.31 116.54 2jsc h LEU 30 Ca 0.00 -0.42 0.03 0.00 0.09 0.00 0.00 57.88 57.58 2jsc h LEU 30 Cb 0.92 -0.25 -0.05 0.00 0.09 0.00 0.00 40.66 41.38 2jsc h LEU 30 CO 0.00 1.12 -0.22 -0.11 0.09 0.00 0.00 178.44 179.32 2jsc n LEU 31 N -4.19 -0.40 0.01 1.67 0.00 -0.86 -0.84 117.00 112.38 2jsc n LEU 31 Ca -0.02 0.78 0.11 0.00 0.00 0.00 0.00 56.01 56.89 2jsc n LEU 31 Cb 0.46 -0.14 -0.13 0.00 0.00 0.00 0.00 43.42 43.61 2jsc n LEU 31 CO 0.46 -0.60 -0.48 -0.67 0.00 0.00 0.00 177.39 176.10 2jsc n ASP 32 N -4.12 0.32 0.00 1.96 2.03 -1.26 -4.72 116.55 110.77 2jsc n ASP 32 Ca 0.01 -0.19 -0.18 0.00 0.52 0.00 0.00 54.79 54.95 2jsc n ASP 32 Cb 0.10 1.55 -0.10 0.00 -0.72 0.00 0.00 41.12 41.95 2jsc n ASP 32 CO 0.00 0.00 0.00 1.23 -1.92 0.00 0.00 177.20 176.51 2jsc h GLY 33 N 4.25 0.56 -0.95 0.27 0.00 -0.71 -3.46 103.07 103.02 2jsc h GLY 33 Ca 0.00 -0.93 0.00 0.00 0.00 0.00 0.00 47.33 46.40 2jsc h GLY 33 CO 0.00 0.82 0.00 3.33 0.00 0.00 0.00 176.54 180.69 2jsc n VAL 34 N -4.14 0.00 -0.04 4.60 0.24 -0.49 -4.65 118.33 113.85 2jsc n VAL 34 Ca -0.10 0.00 -0.05 0.00 -2.04 0.00 0.00 64.34 62.15 2jsc n VAL 34 Cb 0.70 0.00 -0.02 0.00 -1.47 0.00 0.00 33.84 33.06 2jsc n VAL 34 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2jsc s TYR 36 N -2.16 -0.27 0.21 0.00 2.02 -1.26 -3.50 117.35 112.38 2jsc s TYR 36 Ca -0.15 0.46 -0.09 0.00 -0.37 0.00 0.00 57.07 56.92 2jsc s TYR 36 Cb 0.02 0.15 0.25 0.00 -0.40 0.00 0.00 41.96 41.98 2jsc s TYR 36 CO 0.23 -0.41 1.79 -1.00 -1.57 0.00 0.00 175.55 174.59 2jsc h PRO 37 N 3.87 0.59 0.00 -1.71 0.13 -1.91 -0.42 132.00 132.56 2jsc h PRO 37 Ca -0.29 -0.04 0.00 0.00 -0.87 0.00 0.00 66.00 64.80 2jsc h PRO 37 Cb 1.17 -0.13 0.00 0.00 0.13 0.00 0.00 31.00 32.17 2jsc h PRO 37 CO 0.39 0.39 0.00 0.41 -0.23 0.00 0.00 178.00 178.96 2jsc n GLY 38 N -1.29 -0.70 0.21 1.56 0.00 -1.26 -2.55 105.19 101.16 2jsc n GLY 38 Ca 0.08 -0.07 -0.06 0.00 0.00 0.00 0.00 46.02 45.97 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 0.00 0.47 0.00 1.61 3.07 -1.47 -3.15 115.11 115.64 2jsc h GLN 39 Ca 0.00 -0.25 0.00 0.00 0.09 0.00 0.00 58.65 58.49 2jsc h GLN 39 Cb 0.11 0.01 0.00 0.00 0.08 0.00 0.00 27.48 27.69 2jsc h GLN 39 CO 0.00 0.83 0.00 1.28 0.09 0.00 0.00 178.83 181.03 2jsc n LEU 40 N -4.00 0.00 -0.12 0.06 4.77 -1.06 -1.65 117.00 114.99 2jsc n LEU 40 Ca -0.02 0.16 -0.10 0.00 -0.03 0.00 0.00 56.01 56.02 2jsc n LEU 40 Cb 0.53 -0.16 -0.02 0.00 -2.33 0.00 0.00 43.42 41.44 2jsc n LEU 40 CO 0.45 -0.12 0.79 0.00 -1.33 0.00 0.00 177.39 177.17 2jsc h ALA 41 N 2.38 0.48 -0.24 -1.18 0.00 -1.73 -2.64 119.26 116.34 2jsc h ALA 41 Ca 0.00 -0.24 -0.18 0.00 0.00 0.00 0.00 54.91 54.49 2jsc h ALA 41 Cb 0.04 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 17.69 2jsc h ALA 41 CO 0.00 0.23 -0.58 0.00 0.00 0.00 0.00 179.25 178.90 2jsc h ALA 42 N 0.88 0.53 0.00 0.00 0.00 -1.56 -0.10 119.26 119.00 2jsc h ALA 42 Ca 0.10 -0.53 -0.00 0.00 0.00 0.00 0.00 54.91 54.49 2jsc h ALA 42 Cb 0.43 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.15 2jsc h ALA 42 CO 0.02 0.69 -0.00 0.45 0.00 0.00 0.00 179.25 180.40 2jsc h HIS 43 N 0.57 0.00 0.00 0.00 -0.00 -1.52 -3.23 115.15 110.98 2jsc h HIS 43 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.37 2jsc h HIS 43 Cb 1.17 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 28.58 2jsc h HIS 43 CO 0.06 0.00 -0.88 1.28 -0.00 0.00 0.00 177.93 178.40 2jsc n LEU 44 N -3.09 0.00 -0.38 2.43 4.77 -1.00 -5.00 117.00 114.73 2jsc n LEU 44 Ca -0.02 -0.03 -0.05 0.00 -0.03 0.00 0.00 56.01 55.88 2jsc n LEU 44 Cb 0.14 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.21 2jsc n LEU 44 CO 0.22 0.00 -0.05 0.61 -1.33 0.00 0.00 177.39 176.84 2jsc n GLY 45 N 2.26 0.75 3.67 -0.72 0.00 -0.11 -5.04 105.19 106.01 2jsc n GLY 45 Ca 0.00 -0.54 -0.25 0.00 0.00 0.00 0.00 46.02 45.23 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 -1.14 3.33 0.55 0.99 1.43 -0.86 -5.02 118.68 117.97 2jsc s LEU 46 Ca 0.00 -0.47 -0.21 0.00 -1.03 0.00 0.00 54.13 52.42 2jsc s LEU 46 Cb 0.00 -1.91 -0.05 0.00 0.03 0.00 0.00 46.19 44.26 2jsc s LEU 46 CO 0.00 0.04 1.29 0.28 0.23 0.00 0.00 176.35 178.19 2jsc s THR 47 N -2.00 2.34 -0.42 5.49 -1.32 -1.26 -4.31 115.64 114.15 2jsc s THR 47 Ca 0.30 0.24 0.17 0.00 -1.21 0.00 0.00 61.69 61.19 2jsc s THR 47 Cb -0.08 -3.12 0.17 0.00 -1.51 0.00 0.00 72.50 67.97 2jsc s THR 47 CO 0.20 -0.02 1.53 -2.11 -2.21 0.00 0.00 174.62 172.01 2jsc n ARG 48 N -1.14 0.11 0.04 7.08 1.85 -1.26 -1.87 116.66 121.47 2jsc n ARG 48 Ca 0.11 0.57 -0.13 0.00 -1.00 0.00 0.00 57.85 57.40 2jsc n ARG 48 Cb 0.47 -1.84 -0.09 0.00 -1.05 0.00 0.00 32.46 29.95 2jsc n ARG 48 CO 0.00 0.00 0.00 0.77 -0.01 0.00 0.00 177.63 178.39 2jsc h SER 49 N 0.00 -0.09 -0.35 2.89 0.02 -1.99 -0.85 113.55 113.18 2jsc h SER 49 Ca 0.00 -0.29 -0.04 0.00 -0.84 0.00 0.00 61.79 60.62 2jsc h SER 49 Cb 0.05 0.02 -0.01 0.00 0.14 0.00 0.00 62.40 62.60 2jsc h SER 49 CO 0.00 0.25 0.06 0.78 -1.14 0.00 0.00 176.83 176.78 2jsc h ASN 50 N -0.44 0.55 -0.47 3.07 4.21 -1.75 -1.90 115.58 118.86 2jsc h ASN 50 Ca -0.01 -0.26 0.09 0.00 1.21 0.00 0.00 56.30 57.33 2jsc h ASN 50 Cb 0.38 -0.15 -0.07 0.00 -1.12 0.00 0.00 38.32 37.36 2jsc h ASN 50 CO 0.02 0.67 0.02 0.58 -1.29 0.00 0.00 177.43 177.43 2jsc h VAL 51 N 0.41 0.66 -0.92 2.81 2.07 -1.49 -1.59 116.25 118.21 2jsc h VAL 51 Ca 0.11 -0.05 -0.00 0.00 0.82 0.00 0.00 66.70 67.57 2jsc h VAL 51 Cb 0.35 0.51 -0.04 0.00 -1.52 0.00 0.00 31.29 30.59 2jsc h VAL 51 CO 0.01 0.03 0.55 0.28 0.02 0.00 0.00 177.57 178.46 2jsc h SER 52 N 0.14 1.10 -0.60 0.57 0.02 -0.80 -0.57 113.55 113.41 2jsc h SER 52 Ca 0.23 -0.06 0.04 0.00 -0.84 0.00 0.00 61.79 61.16 2jsc h SER 52 Cb 0.34 -0.28 -0.04 0.00 0.14 0.00 0.00 62.40 62.56 2jsc h SER 52 CO -0.37 0.84 0.35 0.78 -1.14 0.00 0.00 176.83 177.29 2jsc h ASN 53 N 1.26 0.54 -0.76 3.07 2.35 -0.84 0.16 115.58 121.37 2jsc h ASN 53 Ca 0.33 0.01 -0.02 0.00 -0.55 0.00 0.00 56.30 56.08 2jsc h ASN 53 Cb -0.06 -0.10 -0.04 0.00 0.05 0.00 0.00 38.32 38.18 2jsc h ASN 53 CO -0.06 0.37 0.41 0.45 -1.65 0.00 0.00 177.43 176.94 2jsc h HIS 54 N 0.67 1.05 0.00 1.19 3.86 -0.57 -2.98 115.15 118.36 2jsc h HIS 54 Ca 0.25 -0.03 -0.01 0.00 -1.16 0.00 0.00 60.37 59.42 2jsc h HIS 54 Cb 0.09 -0.33 -0.00 0.00 1.06 0.00 0.00 27.41 28.22 2jsc h HIS 54 CO -0.07 0.74 -0.04 -0.07 0.86 0.00 0.00 177.93 179.35 2jsc h LEU 55 N 1.05 0.00 -0.43 2.43 3.38 -0.45 -3.30 115.31 118.00 2jsc h LEU 55 Ca 0.27 0.00 0.09 0.00 0.09 0.00 0.00 57.88 58.32 2jsc h LEU 55 Cb 0.05 0.00 -0.09 0.00 0.09 0.00 0.00 40.66 40.71 2jsc h LEU 55 CO -0.04 0.04 -0.20 -1.28 0.09 0.00 0.00 178.44 177.05 2jsc h SER 56 N 0.00 -0.67 0.14 -0.43 0.87 -0.54 -1.38 113.55 111.54 2jsc h SER 56 Ca -0.00 0.16 -0.30 0.00 -1.23 0.00 0.00 61.79 60.42 2jsc h SER 56 Cb 0.78 0.37 0.03 0.00 -0.44 0.00 0.00 62.40 63.14 2jsc h SER 56 CO 0.00 -0.23 -1.25 0.00 -0.53 0.00 0.00 176.83 174.83 2jsc h LEU 58 N 0.27 0.64 -0.11 0.00 5.85 -1.54 0.40 115.31 120.83 2jsc h LEU 58 Ca -0.19 0.02 -0.23 0.00 0.84 0.00 0.00 57.88 58.32 2jsc h LEU 58 Cb 1.92 -0.11 0.01 0.00 0.37 0.00 0.00 40.66 42.86 2jsc h LEU 58 CO 0.24 0.37 -0.84 0.03 -0.34 0.00 0.00 178.44 177.90 2jsc h ARG 59 N 0.71 0.76 0.03 1.25 3.08 -1.40 -0.59 114.38 118.22 2jsc h ARG 59 Ca 0.39 -0.67 -0.27 0.00 0.07 0.00 0.00 59.98 59.50 2jsc h ARG 59 Cb 0.53 0.16 0.02 0.00 0.08 0.00 0.00 29.97 30.76 2jsc h ARG 59 CO -0.15 1.27 -1.08 0.78 -1.07 0.00 0.00 179.97 179.72 2jsc h GLY 60 N 0.48 0.70 -0.39 0.04 0.00 -1.20 -2.63 103.07 100.06 2jsc h GLY 60 Ca -0.07 -1.28 0.00 0.00 0.00 0.00 0.00 47.33 45.98 2jsc h GLY 60 CO 0.17 1.13 0.00 0.00 0.00 0.00 0.00 176.54 177.84 2jsc n GLY 62 N 0.45 2.56 0.29 0.00 0.00 -0.99 -4.44 105.19 103.06 2jsc n GLY 62 Ca 0.02 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.15 2jsc n GLY 62 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2jsc h LEU 63 N 0.00 0.00 -7.90 0.99 3.38 -1.37 -3.40 115.31 107.01 2jsc h LEU 63 Ca 0.00 0.00 -0.44 0.00 0.09 0.00 0.00 57.88 57.53 2jsc h LEU 63 Cb 0.00 0.00 -0.32 0.00 0.09 0.00 0.00 40.66 40.43 2jsc h LEU 63 CO 0.00 0.00 -0.79 0.68 0.09 0.00 0.00 178.44 178.42 2jsc s VAL 64 N -5.04 0.79 -0.06 1.22 -7.23 -0.64 -0.53 120.40 108.91 2jsc s VAL 64 Ca -0.05 -0.31 0.05 0.00 -1.81 0.00 0.00 61.98 59.86 2jsc s VAL 64 Cb 0.18 -0.74 -0.01 0.00 0.56 0.00 0.00 36.38 36.36 2jsc s VAL 64 CO 0.68 0.27 -0.23 -0.69 -0.31 0.00 0.00 175.10 174.82 2jsc s VAL 65 N 0.54 2.25 -0.08 1.32 1.01 0.66 -4.23 120.40 121.87 2jsc s VAL 65 Ca -0.09 -0.99 -0.29 0.00 0.00 0.00 0.00 61.98 60.61 2jsc s VAL 65 Cb -0.12 -1.84 -0.02 0.00 0.00 0.00 0.00 36.38 34.40 2jsc s VAL 65 CO 0.01 0.57 0.97 0.00 0.00 0.00 0.00 175.10 176.65 2jsc s ALA 66 N -0.17 3.35 0.04 5.51 0.00 -1.26 -0.80 121.76 128.43 2jsc s ALA 66 Ca -0.03 0.37 -0.03 0.00 0.00 0.00 0.00 51.96 52.28 2jsc s ALA 66 Cb -0.14 -3.37 -0.02 0.00 0.00 0.00 0.00 23.12 19.58 2jsc s ALA 66 CO 0.04 -0.50 0.02 0.95 0.00 0.00 0.00 175.76 176.27 2jsc s THR 67 N 1.73 0.17 -0.12 0.00 -4.23 -0.81 -4.99 115.64 107.39 2jsc s THR 67 Ca 0.48 -1.37 -0.29 0.00 -1.18 0.00 0.00 61.69 59.33 2jsc s THR 67 Cb -0.19 -1.07 -0.01 0.00 1.34 0.00 0.00 72.50 72.57 2jsc s THR 67 CO 0.20 -0.75 1.04 -0.47 -0.54 0.00 0.00 174.62 174.10 2jsc s TYR 68 N -3.03 3.43 0.15 3.99 5.04 -1.26 -0.31 117.35 125.36 2jsc s TYR 68 Ca -0.01 1.52 0.02 0.00 -2.44 0.00 0.00 57.07 56.16 2jsc s TYR 68 Cb 0.01 -3.24 -0.06 0.00 0.35 0.00 0.00 41.96 39.03 2jsc s TYR 68 CO -0.07 -0.43 1.34 1.05 -1.34 0.00 0.00 175.55 176.11 2jsc h GLU 69 N 7.22 0.17 0.00 4.97 -0.00 -1.53 -3.47 114.58 121.94 2jsc h GLU 69 Ca -0.29 -0.21 0.00 0.00 -0.00 0.00 0.00 59.36 58.86 2jsc h GLU 69 Cb 1.13 0.06 0.00 0.00 -0.00 0.00 0.00 28.75 29.95 2jsc h GLU 69 CO 0.88 0.98 0.00 0.41 -0.00 0.00 0.00 179.01 181.28 2jsc n GLY 70 N 1.00 0.00 0.00 1.06 0.00 -1.26 -4.99 105.19 101.01 2jsc n GLY 70 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.98 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 2.00 -4.23 1.61 0.00 -1.26 -5.14 116.66 109.64 2jsc n ARG 71 Ca 0.00 0.00 -0.15 0.00 -0.00 0.00 0.00 57.85 57.70 2jsc n ARG 71 Cb 0.00 -0.17 -0.09 0.00 -0.00 0.00 0.00 32.46 32.20 2jsc n ARG 71 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.63 176.49 2jsc s GLN 72 N 0.00 1.44 0.15 2.89 2.00 -1.26 -5.15 119.66 119.72 2jsc s GLN 72 Ca 0.00 -1.80 -0.29 0.00 -2.00 0.00 0.00 55.36 51.28 2jsc s GLN 72 Cb 0.00 0.29 -0.07 0.00 0.80 0.00 0.00 33.01 34.03 2jsc s GLN 72 CO 0.00 -0.50 0.90 0.54 -0.50 0.00 0.00 175.29 175.73 2jsc s VAL 73 N -3.85 4.39 0.27 1.34 0.11 -1.26 -1.37 120.40 120.02 2jsc s VAL 73 Ca 0.40 1.96 0.09 0.00 -2.93 0.00 0.00 61.98 61.50 2jsc s VAL 73 Cb 0.05 -4.27 -0.04 0.00 -1.53 0.00 0.00 36.38 30.59 2jsc s VAL 73 CO 0.19 0.41 0.08 0.00 -3.33 0.00 0.00 175.10 172.45 2jsc s ARG 74 N -0.52 2.53 -0.45 1.54 1.70 0.57 -4.23 118.95 120.10 2jsc s ARG 74 Ca 0.42 -1.29 -0.08 0.00 -0.47 0.00 0.00 55.73 54.31 2jsc s ARG 74 Cb -0.24 -2.31 0.11 0.00 -0.57 0.00 0.00 34.95 31.94 2jsc s ARG 74 CO 0.29 0.36 0.31 0.71 -1.08 0.00 0.00 175.30 175.88 2jsc s TYR 75 N -2.26 3.44 0.03 5.89 1.51 -1.26 -1.93 117.35 122.77 2jsc s TYR 75 Ca 0.32 -1.92 -0.13 0.00 -1.01 0.00 0.00 57.07 54.33 2jsc s TYR 75 Cb -0.07 -3.37 -0.06 0.00 -0.11 0.00 0.00 41.96 38.36 2jsc s TYR 75 CO 0.22 -0.97 0.41 0.00 -1.11 0.00 0.00 175.55 174.10 2jsc s ALA 76 N 1.33 3.71 0.72 3.71 0.00 0.02 -4.72 121.76 126.52 2jsc s ALA 76 Ca 0.06 -0.28 -0.16 0.00 0.00 0.00 0.00 51.96 51.57 2jsc s ALA 76 Cb -0.25 -2.34 -0.00 0.00 0.00 0.00 0.00 23.12 20.52 2jsc s ALA 76 CO -0.01 0.51 0.88 1.28 0.00 0.00 0.00 175.76 178.42 2jsc n LEU 77 N 1.43 2.97 -0.03 0.00 4.77 -1.26 -0.24 117.00 124.63 2jsc n LEU 77 Ca -0.11 0.65 0.12 0.00 -0.03 0.00 0.00 56.01 56.64 2jsc n LEU 77 Cb 0.52 -1.37 0.53 0.00 -2.33 0.00 0.00 43.42 40.78 2jsc n LEU 77 CO 0.39 -2.25 1.17 0.00 -1.33 0.00 0.00 177.39 175.37 2jsc h ALA 78 N -0.26 2.05 -2.26 -1.18 0.00 -1.02 -3.44 119.26 113.14 2jsc h ALA 78 Ca -0.47 -0.01 0.13 0.00 0.00 0.00 0.00 54.91 54.55 2jsc h ALA 78 Cb 1.34 -0.07 -0.14 0.00 0.00 0.00 0.00 17.79 18.92 2jsc h ALA 78 CO 0.46 -0.16 0.50 0.34 0.00 0.00 0.00 179.25 180.40 2jsc s ASP 79 N -6.36 -0.33 0.49 0.00 2.15 -1.26 -5.02 116.67 106.34 2jsc s ASP 79 Ca -0.07 -0.07 0.29 0.00 0.43 0.00 0.00 52.55 53.14 2jsc s ASP 79 Cb 0.19 0.39 1.38 0.00 -0.30 0.00 0.00 42.92 44.58 2jsc s ASP 79 CO 0.74 -0.65 1.79 0.28 -0.17 0.00 0.00 175.17 177.15 2jsc h SER 80 N 2.00 0.17 -0.50 -0.34 0.02 -1.99 -1.44 113.55 111.47 2jsc h SER 80 Ca -0.22 0.04 0.10 0.00 -0.84 0.00 0.00 61.79 60.86 2jsc h SER 80 Cb 1.24 0.01 -0.10 0.00 0.14 0.00 0.00 62.40 63.68 2jsc h SER 80 CO 0.30 0.02 -0.26 0.45 -1.14 0.00 0.00 176.83 176.20 2jsc h HIS 81 N 0.15 -0.69 0.00 3.45 3.86 -1.99 0.71 115.15 120.64 2jsc h HIS 81 Ca 0.58 0.06 -0.11 0.00 -1.16 0.00 0.00 60.37 59.74 2jsc h HIS 81 Cb 1.97 0.38 0.01 0.00 1.06 0.00 0.00 27.41 30.83 2jsc h HIS 81 CO -0.00 -0.34 -0.42 -0.07 0.86 0.00 0.00 177.93 177.97 2jsc h LEU 82 N -0.15 0.36 -1.63 2.43 3.38 -1.67 -2.32 115.31 115.71 2jsc h LEU 82 Ca 0.22 -0.78 0.20 0.00 0.09 0.00 0.00 57.88 57.61 2jsc h LEU 82 Cb 0.50 -0.11 -0.06 0.00 0.09 0.00 0.00 40.66 41.09 2jsc h LEU 82 CO -0.59 1.09 0.57 0.00 0.09 0.00 0.00 178.44 179.61 2jsc h ALA 83 N 0.27 2.31 0.16 1.53 0.00 -1.44 -0.93 119.26 121.16 2jsc h ALA 83 Ca -0.05 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 2jsc h ALA 83 Cb 1.16 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.94 2jsc h ALA 83 CO 0.08 -0.56 -0.08 0.00 0.00 0.00 0.00 179.25 178.69 2jsc h ARG 84 N 0.32 -0.21 -0.01 0.00 2.47 -0.76 -1.94 114.38 114.25 2jsc h ARG 84 Ca 0.43 0.01 -0.04 0.00 -1.26 0.00 0.00 59.98 59.12 2jsc h ARG 84 Cb 1.17 0.05 -0.01 0.00 -1.65 0.00 0.00 29.97 29.54 2jsc h ARG 84 CO -0.13 -0.14 -0.19 0.00 0.56 0.00 0.00 179.97 180.07 2jsc h ALA 85 N -1.79 1.67 -0.58 0.04 0.00 -1.22 0.24 119.26 117.62 2jsc h ALA 85 Ca -0.02 -0.18 -0.08 0.00 0.00 0.00 0.00 54.91 54.62 2jsc h ALA 85 Cb 0.17 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 2jsc h ALA 85 CO 0.04 0.25 0.03 1.25 0.00 0.00 0.00 179.25 180.82 2jsc h LEU 86 N 0.02 0.95 0.03 0.00 5.85 -1.32 -3.12 115.31 117.72 2jsc h LEU 86 Ca 0.00 -0.24 -0.00 0.00 0.84 0.00 0.00 57.88 58.48 2jsc h LEU 86 Cb 0.35 -0.25 0.00 0.00 0.37 0.00 0.00 40.66 41.13 2jsc h LEU 86 CO 0.03 0.99 -0.01 1.23 -0.34 0.00 0.00 178.44 180.33 2jsc h GLY 87 N 1.01 -0.04 1.25 3.75 0.00 0.21 -3.21 103.07 106.03 2jsc h GLY 87 Ca 0.17 0.02 0.00 0.00 0.00 0.00 0.00 47.33 47.52 2jsc h GLY 87 CO 0.02 -0.02 0.00 -1.84 0.00 0.00 0.00 176.54 174.71 2jsc n GLU 88 N -4.74 0.43 -1.67 4.80 0.00 0.08 -4.96 120.64 114.57 2jsc n GLU 88 Ca -0.08 0.05 0.00 0.00 0.00 0.00 0.00 57.16 57.13 2jsc n GLU 88 Cb 0.35 -1.50 0.00 0.00 0.00 0.00 0.00 31.44 30.29 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 -1.12 -4.39 -0.37 -1.84 7.94 -1.18 -4.83 117.00 111.22 2jsc n LEU 89 Ca 0.11 1.49 0.00 0.00 -1.11 0.00 0.00 56.01 56.50 2jsc n LEU 89 Cb 0.10 -2.16 0.00 0.00 0.53 0.00 0.00 43.42 41.88 2jsc n LEU 89 CO 0.12 -1.48 0.08 1.33 -1.11 0.00 0.00 177.39 176.33 2jsc n VAL 90 N 0.95 0.00 0.00 1.96 0.24 -1.23 -4.77 118.33 115.49 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 -0.19 0.00 0.00 -1.47 0.00 0.00 33.84 32.18 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 0.14 0.00 -0.28 7.34 1.13 -1.26 -4.77 117.38 119.68 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 0.04 -2.01 -0.00 0.00 0.11 0.00 0.00 30.24 28.38 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 1.10 0.00 5.09 3.14 -1.26 -4.73 118.33 119.68 2jsc n VAL 92 Ca 0.00 -0.29 0.00 0.00 -2.96 0.00 0.00 64.34 61.09 2jsc n VAL 92 Cb 0.00 -1.29 0.00 0.00 -1.06 0.00 0.00 33.84 31.49 2jsc n VAL 92 CO 0.00 0.00 0.00 0.52 -6.46 0.00 0.00 176.83 170.89 2jsc n VAL 93 N 1.77 0.00 0.00 1.55 0.31 -1.26 -3.55 118.33 117.15 2jsc n VAL 93 Ca 0.01 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.34 2jsc n VAL 93 Cb 0.28 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.21 2jsc n VAL 93 CO 0.00 0.00 0.00 -0.11 -1.32 0.00 0.00 176.83 175.40 2jsc n LEU 94 N 0.00 0.00 -4.67 7.52 7.94 -1.26 -5.09 117.00 121.44 2jsc n LEU 94 Ca 0.00 0.00 -0.44 0.00 -1.11 0.00 0.00 56.01 54.46 2jsc n LEU 94 Cb 0.00 0.00 -0.01 0.00 0.53 0.00 0.00 43.42 43.94 2jsc n LEU 94 CO 0.00 0.00 0.86 0.00 -1.11 0.00 0.00 177.39 177.14 2jsc n ALA 95 N 0.00 0.89 -2.58 1.96 0.00 -1.23 -5.03 120.51 114.52 2jsc n ALA 95 Ca 0.00 0.38 -0.27 0.00 0.00 0.00 0.00 53.44 53.55 2jsc n ALA 95 Cb 0.00 -2.21 -0.09 0.00 0.00 0.00 0.00 19.45 17.15 2jsc n ALA 95 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2jsc s VAL 96 N -0.82 3.25 -1.43 0.00 1.01 -1.26 -4.83 120.40 116.32 2jsc s VAL 96 Ca 0.59 -1.62 0.00 0.00 0.00 0.00 0.00 61.98 60.96 2jsc s VAL 96 Cb -0.62 -2.61 0.00 0.00 0.00 0.00 0.00 36.38 33.15 2jsc s VAL 96 CO 0.59 -0.10 0.71 0.47 0.00 0.00 0.00 175.10 176.76 2jsc n ASP 97 N 0.05 0.00 -4.57 3.32 9.92 -1.26 -4.66 116.55 119.35 2jsc n ASP 97 Ca -0.11 0.22 -0.43 0.00 -0.53 0.00 0.00 54.79 53.95 2jsc n ASP 97 Cb 0.55 -0.22 -0.04 0.00 -0.64 0.00 0.00 41.12 40.77 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 -2.42 4.44 0.40 -3.53 -4.23 -1.26 -4.72 115.64 104.33 2jsc s THR 98 Ca 0.00 0.76 -0.05 0.00 -1.18 0.00 0.00 61.69 61.22 2jsc s THR 98 Cb 0.00 -4.45 -0.04 0.00 1.34 0.00 0.00 72.50 69.34 2jsc s THR 98 CO 0.00 -0.86 0.68 -0.62 -0.54 0.00 0.00 174.62 173.28 2jsc s ASP 99 N 2.30 6.35 -0.11 3.99 2.15 -1.26 -5.10 116.67 124.99 2jsc s ASP 99 Ca 0.38 0.82 -0.29 0.00 0.43 0.00 0.00 52.55 53.88 2jsc s ASP 99 Cb -0.10 -2.19 0.07 0.00 -0.30 0.00 0.00 42.92 40.40 2jsc s ASP 99 CO 0.27 -0.41 0.70 -1.58 -0.17 0.00 0.00 175.17 173.98 2jsc s GLN 100 N -4.25 0.99 0.38 4.34 2.00 -1.26 -5.16 119.66 116.71 2jsc s GLN 100 Ca 0.46 0.45 -0.20 0.00 -2.00 0.00 0.00 55.36 54.07 2jsc s GLN 100 Cb -0.10 0.47 -0.15 0.00 0.80 0.00 0.00 33.01 34.03 2jsc s GLN 100 CO 0.38 -0.27 0.08 -2.30 -0.50 0.00 0.00 175.29 172.68 2jsc n PRO 101 N 1.38 0.00 -1.63 1.67 -0.02 -1.26 -4.85 135.00 130.28 2jsc n PRO 101 Ca -0.18 0.00 -0.41 0.00 -2.02 0.00 0.00 63.50 60.89 2jsc n PRO 101 Cb 0.56 -0.94 -0.03 0.00 -0.02 0.00 0.00 33.50 33.08 2jsc n PRO 101 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2jsc h VAL 103 N 4.60 0.44 -1.30 0.00 3.04 -1.89 -3.39 116.25 117.75 2jsc h VAL 103 Ca 0.46 0.00 -0.34 0.00 -1.01 0.00 0.00 66.70 65.81 2jsc h VAL 103 Cb 0.71 0.74 0.00 0.00 -2.01 0.00 0.00 31.29 30.73 2jsc h VAL 103 CO 1.80 0.00 1.17 0.00 -1.01 0.00 0.00 177.57 179.53 2jsc s ALA 104 N -4.65 1.44 0.00 3.17 0.00 -1.26 -3.73 121.76 116.73 2jsc s ALA 104 Ca -0.04 -0.32 0.00 0.00 0.00 0.00 0.00 51.96 51.60 2jsc s ALA 104 Cb 0.16 -4.41 0.00 0.00 0.00 0.00 0.00 23.12 18.87 2jsc s ALA 104 CO 0.56 -4.80 0.00 0.39 0.00 0.00 0.00 175.76 171.91 2jsc n GLU 105 N 8.98 0.00 0.00 0.00 1.02 -1.26 -5.26 120.64 124.11 2jsc n GLU 105 Ca 0.38 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.52 2jsc n GLU 105 Cb 0.51 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.93 2jsc n GLU 105 CO 0.00 0.00 0.00 2.89 1.18 0.00 0.00 177.13 181.20