#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 0.74 0.63 0.00 8.10 -2.05 0.41 115.31 123.15 2jsc h LEU 11 Ca 0.00 0.08 -0.03 0.00 0.11 0.00 0.00 57.88 58.04 2jsc h LEU 11 Cb 0.00 -0.05 0.01 0.00 -0.44 0.00 0.00 40.66 40.17 2jsc h LEU 11 CO 0.00 0.28 -0.30 0.00 -4.11 0.00 0.00 178.44 174.31 2jsc h ALA 12 N 1.63 -0.85 -0.03 0.17 0.00 -2.06 -1.70 119.26 116.42 2jsc h ALA 12 Ca 0.56 -0.21 -0.02 0.00 0.00 0.00 0.00 54.91 55.23 2jsc h ALA 12 Cb 0.90 0.33 -0.00 0.00 0.00 0.00 0.00 17.79 19.02 2jsc h ALA 12 CO -0.34 -0.85 -0.09 -0.09 0.00 0.00 0.00 179.25 177.87 2jsc h ARG 13 N -1.09 0.05 -0.59 0.00 2.43 -1.84 -1.11 114.38 112.22 2jsc h ARG 13 Ca -0.09 -0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 59.06 2jsc h ARG 13 Cb 0.69 -0.01 -0.03 0.00 -0.42 0.00 0.00 29.97 30.21 2jsc h ARG 13 CO 0.14 0.15 0.32 1.25 -1.51 0.00 0.00 179.97 180.32 2jsc h LEU 14 N 0.05 0.75 -2.07 3.80 7.12 -0.93 -2.70 115.31 121.33 2jsc h LEU 14 Ca 0.01 -0.10 0.01 0.00 0.13 0.00 0.00 57.88 57.93 2jsc h LEU 14 Cb 0.20 -0.19 -0.00 0.00 -0.53 0.00 0.00 40.66 40.14 2jsc h LEU 14 CO 0.01 0.63 0.02 1.23 -0.13 0.00 0.00 178.44 180.20 2jsc h GLY 15 N 0.81 0.00 2.00 3.75 0.00 -0.23 -0.62 103.07 108.78 2jsc h GLY 15 Ca 0.21 0.00 -0.08 0.00 0.00 0.00 0.00 47.33 47.46 2jsc h GLY 15 CO -0.03 0.00 -0.38 -0.09 0.00 0.00 0.00 176.54 176.04 2jsc h ARG 16 N 0.00 0.00 0.00 4.80 1.12 -1.28 -0.63 114.38 118.39 2jsc h ARG 16 Ca 0.01 0.00 -0.08 0.00 -1.11 0.00 0.00 59.98 58.80 2jsc h ARG 16 Cb 0.05 0.00 -0.01 0.00 -0.01 0.00 0.00 29.97 30.00 2jsc h ARG 16 CO -0.00 0.38 -0.37 0.00 -3.11 0.00 0.00 179.97 176.87 2jsc h ALA 17 N 1.62 1.01 0.00 2.80 0.00 -1.03 -3.05 119.26 120.61 2jsc h ALA 17 Ca -0.00 -0.34 -0.20 0.00 0.00 0.00 0.00 54.91 54.37 2jsc h ALA 17 Cb 0.80 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.50 2jsc h ALA 17 CO 0.05 0.46 -1.10 -0.07 0.00 0.00 0.00 179.25 178.59 2jsc h LEU 18 N 0.00 0.00 -0.10 0.00 4.07 -1.34 -3.36 115.31 114.57 2jsc h LEU 18 Ca -0.00 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.96 2jsc h LEU 18 Cb 0.88 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.62 2jsc h LEU 18 CO 0.05 0.86 0.00 0.00 -1.08 0.00 0.00 178.44 178.27 2jsc n ALA 19 N -2.37 1.58 -1.01 1.53 0.00 -0.28 -4.08 120.51 115.87 2jsc n ALA 19 Ca -0.04 -0.02 -0.33 0.00 0.00 0.00 0.00 53.44 53.04 2jsc n ALA 19 Cb 0.91 -1.23 0.13 0.00 0.00 0.00 0.00 19.45 19.27 2jsc n ALA 19 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 2jsc n ASP 20 N -1.60 0.49 0.00 0.00 2.03 -1.23 -4.93 116.55 111.30 2jsc n ASP 20 Ca 0.03 0.54 0.00 0.00 0.52 0.00 0.00 54.79 55.87 2jsc n ASP 20 Cb 0.16 -1.46 0.00 0.00 -0.72 0.00 0.00 41.12 39.10 2jsc n ASP 20 CO 0.00 0.00 0.00 -0.81 -1.92 0.00 0.00 177.20 174.47 2jsc n PRO 21 N -3.15 0.00 0.03 -0.67 -0.04 -1.26 -3.09 135.00 126.82 2jsc n PRO 21 Ca 0.12 0.33 -0.04 0.00 -0.04 0.00 0.00 63.50 63.87 2jsc n PRO 21 Cb 0.51 -1.17 -0.10 0.00 -0.04 0.00 0.00 33.50 32.70 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 0.87 -0.71 0.52 2.02 -1.98 -3.23 112.91 110.40 2jsc h THR 22 Ca 0.00 -2.52 -0.06 0.00 0.77 0.00 0.00 66.41 64.59 2jsc h THR 22 Cb 0.00 2.36 -0.03 0.00 -1.74 0.00 0.00 68.15 68.74 2jsc h THR 22 CO 0.00 0.50 0.20 0.03 0.37 0.00 0.00 175.52 176.62 2jsc h ARG 23 N 0.00 1.12 -0.96 6.66 3.08 -1.88 0.22 114.38 122.62 2jsc h ARG 23 Ca -0.17 -0.25 0.06 0.00 0.07 0.00 0.00 59.98 59.69 2jsc h ARG 23 Cb 1.76 -0.16 -0.06 0.00 0.08 0.00 0.00 29.97 31.59 2jsc h ARG 23 CO 0.07 0.96 0.62 0.00 -1.07 0.00 0.00 179.97 180.55 2jsc h ARG 25 N 1.14 -0.73 -0.82 0.00 2.47 -1.37 -1.11 114.38 113.95 2jsc h ARG 25 Ca 0.41 0.05 0.13 0.00 -1.26 0.00 0.00 59.98 59.31 2jsc h ARG 25 Cb 0.12 0.17 -0.09 0.00 -1.65 0.00 0.00 29.97 28.52 2jsc h ARG 25 CO -0.16 -0.47 0.42 0.82 0.56 0.00 0.00 179.97 181.14 2jsc h ILE 26 N -0.81 0.76 -0.33 2.04 1.08 -0.32 -1.37 117.51 118.56 2jsc h ILE 26 Ca -0.08 -0.22 -0.09 0.00 -0.39 0.00 0.00 64.86 64.08 2jsc h ILE 26 Cb 0.60 0.07 -0.01 0.00 -3.07 0.00 0.00 36.82 34.42 2jsc h ILE 26 CO 0.13 0.12 -0.15 -0.07 -0.69 0.00 0.00 178.15 177.48 2jsc h LEU 27 N 0.63 0.71 -1.37 1.44 3.38 -0.48 -3.04 115.31 116.58 2jsc h LEU 27 Ca 0.44 -0.40 -0.06 0.00 0.09 0.00 0.00 57.88 57.95 2jsc h LEU 27 Cb 0.58 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.12 2jsc h LEU 27 CO -0.34 0.95 -0.27 1.62 0.09 0.00 0.00 178.44 180.49 2jsc h VAL 28 N 0.47 0.84 0.00 1.22 3.04 -0.73 -2.04 116.25 119.05 2jsc h VAL 28 Ca 0.08 -1.07 0.00 0.00 -1.01 0.00 0.00 66.70 64.69 2jsc h VAL 28 Cb 0.68 1.65 0.00 0.00 -2.01 0.00 0.00 31.29 31.60 2jsc h VAL 28 CO 0.05 0.26 0.00 0.00 -1.01 0.00 0.00 177.57 176.87 2jsc n ALA 29 N -2.33 2.29 -0.05 3.17 0.00 -0.56 -3.16 120.51 119.88 2jsc n ALA 29 Ca -0.01 -0.11 -0.00 0.00 0.00 0.00 0.00 53.44 53.31 2jsc n ALA 29 Cb 0.38 -1.30 -0.16 0.00 0.00 0.00 0.00 19.45 18.38 2jsc n ALA 29 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2jsc n LEU 30 N -0.92 0.07 0.30 0.00 4.77 -0.77 -2.01 117.00 118.44 2jsc n LEU 30 Ca 0.14 0.03 0.17 0.00 -0.03 0.00 0.00 56.01 56.32 2jsc n LEU 30 Cb 0.06 0.25 0.97 0.00 -2.33 0.00 0.00 43.42 42.38 2jsc n LEU 30 CO 0.10 0.26 1.14 -0.07 -1.33 0.00 0.00 177.39 177.49 2jsc h LEU 31 N 0.00 0.00 0.00 2.23 3.38 -1.62 -3.37 115.31 115.92 2jsc h LEU 31 Ca -0.28 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.69 2jsc h LEU 31 Cb 1.66 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.41 2jsc h LEU 31 CO 0.02 0.00 -0.39 -0.90 0.09 0.00 0.00 178.44 177.26 2jsc n ASP 32 N -3.65 1.94 0.01 -0.43 5.75 -1.26 -5.00 116.55 113.91 2jsc n ASP 32 Ca -0.02 0.00 -0.00 0.00 -0.01 0.00 0.00 54.79 54.75 2jsc n ASP 32 Cb 0.12 0.23 -0.00 0.00 -1.03 0.00 0.00 41.12 40.44 2jsc n ASP 32 CO 0.00 0.00 0.00 1.23 -0.11 0.00 0.00 177.20 178.32 2jsc h GLY 33 N 0.00 -0.03 -2.18 6.12 0.00 -1.57 -3.46 103.07 101.95 2jsc h GLY 33 Ca 0.00 0.01 0.00 0.00 0.00 0.00 0.00 47.33 47.34 2jsc h GLY 33 CO 0.00 -0.01 0.00 3.33 0.00 0.00 0.00 176.54 179.86 2jsc n VAL 34 N -2.20 0.00 0.00 4.60 0.24 -1.26 -4.76 118.33 114.94 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 0.01 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.38 2jsc n VAL 34 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2jsc s TYR 36 N -0.35 0.72 0.11 0.00 2.02 -1.26 -3.89 117.35 114.69 2jsc s TYR 36 Ca 0.00 -0.83 -0.33 0.00 -0.37 0.00 0.00 57.07 55.54 2jsc s TYR 36 Cb 0.00 -0.44 -0.13 0.00 -0.40 0.00 0.00 41.96 40.99 2jsc s TYR 36 CO 0.00 -0.19 1.69 -0.35 -1.57 0.00 0.00 175.55 175.14 2jsc n PRO 37 N 0.44 2.33 -0.67 -1.71 -0.04 -1.26 -1.64 135.00 132.44 2jsc n PRO 37 Ca -0.16 0.84 0.00 0.00 -0.04 0.00 0.00 63.50 64.15 2jsc n PRO 37 Cb 0.59 -2.66 0.00 0.00 -0.04 0.00 0.00 33.50 31.39 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 3.80 1.32 0.27 0.55 0.00 -1.26 -4.89 105.19 104.97 2jsc n GLY 38 Ca 0.18 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.33 2jsc n GLY 38 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 2jsc h GLN 39 N 2.32 0.00 0.00 1.61 -0.00 -1.73 -2.52 115.11 114.80 2jsc h GLN 39 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.65 2jsc h GLN 39 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27.48 27.48 2jsc h GLN 39 CO 0.00 0.08 0.06 1.28 0.00 0.00 0.00 178.83 180.25 2jsc n LEU 40 N -3.83 0.24 -0.22 -2.39 4.77 -1.26 -1.58 117.00 112.73 2jsc n LEU 40 Ca -0.02 0.58 -0.04 0.00 -0.03 0.00 0.00 56.01 56.49 2jsc n LEU 40 Cb 0.18 -0.60 0.13 0.00 -2.33 0.00 0.00 43.42 40.80 2jsc n LEU 40 CO 0.30 -0.66 1.02 0.00 -1.33 0.00 0.00 177.39 176.72 2jsc h ALA 41 N 1.81 1.14 -0.21 -1.18 0.00 -1.64 0.10 119.26 119.28 2jsc h ALA 41 Ca 0.00 -0.20 -0.18 0.00 0.00 0.00 0.00 54.91 54.53 2jsc h ALA 41 Cb 0.12 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 17.64 2jsc h ALA 41 CO 0.00 0.61 -0.60 0.00 0.00 0.00 0.00 179.25 179.26 2jsc h ALA 42 N 1.26 0.55 -0.12 0.00 0.00 -1.54 -1.89 119.26 117.52 2jsc h ALA 42 Ca 0.23 -0.54 -0.03 0.00 0.00 0.00 0.00 54.91 54.57 2jsc h ALA 42 Cb 0.24 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 17.96 2jsc h ALA 42 CO -0.01 0.69 -0.04 1.25 0.00 0.00 0.00 179.25 181.14 2jsc h HIS 43 N 0.52 0.26 0.00 0.00 6.17 -1.59 -3.25 115.15 117.26 2jsc h HIS 43 Ca -0.00 -0.06 0.00 0.00 0.71 0.00 0.00 60.37 61.02 2jsc h HIS 43 Cb 1.18 -0.06 0.00 0.00 2.52 0.00 0.00 27.41 31.05 2jsc h HIS 43 CO 0.06 0.55 -0.36 1.28 0.71 0.00 0.00 177.93 180.17 2jsc n LEU 44 N -4.72 0.47 0.00 0.26 4.77 0.34 -4.94 117.00 113.18 2jsc n LEU 44 Ca -0.06 0.25 0.00 0.00 -0.03 0.00 0.00 56.01 56.16 2jsc n LEU 44 Cb 0.26 -0.30 0.00 0.00 -2.33 0.00 0.00 43.42 41.05 2jsc n LEU 44 CO 0.36 0.01 0.00 0.61 -1.33 0.00 0.00 177.39 177.04 2jsc n GLY 45 N 1.43 0.78 3.85 -0.72 0.00 -0.72 -5.00 105.19 104.81 2jsc n GLY 45 Ca 0.05 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.75 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 3.75 0.43 0.99 1.43 -1.14 -4.96 118.68 119.19 2jsc s LEU 46 Ca 0.00 1.46 -0.26 0.00 -1.03 0.00 0.00 54.13 54.30 2jsc s LEU 46 Cb 0.00 -4.36 -0.09 0.00 0.03 0.00 0.00 46.19 41.77 2jsc s LEU 46 CO 0.00 -0.48 1.42 0.28 0.23 0.00 0.00 176.35 177.80 2jsc s THR 47 N -2.45 2.13 0.61 5.49 -1.32 -1.26 -4.34 115.64 114.51 2jsc s THR 47 Ca 0.57 0.12 0.32 0.00 -1.21 0.00 0.00 61.69 61.49 2jsc s THR 47 Cb -0.10 -3.07 0.37 0.00 -1.51 0.00 0.00 72.50 68.19 2jsc s THR 47 CO 0.28 0.02 2.12 0.08 -2.21 0.00 0.00 174.62 174.90 2jsc h ARG 48 N 2.47 0.00 -0.12 7.08 0.11 -1.91 -0.80 114.38 121.20 2jsc h ARG 48 Ca -0.51 0.00 -0.02 0.00 0.10 0.00 0.00 59.98 59.55 2jsc h ARG 48 Cb 1.26 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 32.34 2jsc h ARG 48 CO 0.62 0.00 0.00 0.77 0.10 0.00 0.00 179.97 181.46 2jsc h SER 49 N 0.00 0.21 -0.57 0.08 0.02 -1.96 0.00 113.55 111.34 2jsc h SER 49 Ca 0.06 -0.30 -0.08 0.00 -0.84 0.00 0.00 61.79 60.63 2jsc h SER 49 Cb 0.43 -0.06 -0.02 0.00 0.14 0.00 0.00 62.40 62.89 2jsc h SER 49 CO -0.00 0.46 0.05 -1.13 -1.14 0.00 0.00 176.83 175.07 2jsc h ASN 50 N -0.05 0.94 -0.24 3.07 -0.73 -1.56 0.13 115.58 117.15 2jsc h ASN 50 Ca 0.04 -0.28 0.05 0.00 1.87 0.00 0.00 56.30 57.97 2jsc h ASN 50 Cb 0.35 -0.25 -0.05 0.00 0.27 0.00 0.00 38.32 38.64 2jsc h ASN 50 CO 0.01 0.99 -0.05 0.58 -0.37 0.00 0.00 177.43 178.59 2jsc h VAL 51 N 0.86 0.77 -0.37 2.57 2.07 -1.30 -0.39 116.25 120.47 2jsc h VAL 51 Ca 0.17 -0.00 -0.09 0.00 0.82 0.00 0.00 66.70 67.59 2jsc h VAL 51 Cb 0.48 0.75 -0.02 0.00 -1.52 0.00 0.00 31.29 30.99 2jsc h VAL 51 CO 0.02 0.00 -0.14 0.77 0.02 0.00 0.00 177.57 178.24 2jsc h SER 52 N 0.01 0.65 -0.34 0.57 4.64 -0.57 0.32 113.55 118.83 2jsc h SER 52 Ca 0.12 -0.19 -0.03 0.00 -0.47 0.00 0.00 61.79 61.21 2jsc h SER 52 Cb 0.17 -0.18 -0.01 0.00 -0.31 0.00 0.00 62.40 62.07 2jsc h SER 52 CO -0.24 0.81 0.09 -1.13 -0.87 0.00 0.00 176.83 175.49 2jsc h ASN 53 N 0.60 0.52 0.19 4.97 -0.73 -0.42 0.66 115.58 121.37 2jsc h ASN 53 Ca 0.10 -0.22 -0.18 0.00 1.87 0.00 0.00 56.30 57.87 2jsc h ASN 53 Cb 0.58 -0.14 -0.01 0.00 0.27 0.00 0.00 38.32 39.03 2jsc h ASN 53 CO 0.04 0.60 -0.67 0.45 -0.37 0.00 0.00 177.43 177.48 2jsc h HIS 54 N 0.40 0.59 -0.24 0.67 3.86 -1.06 -3.19 115.15 116.17 2jsc h HIS 54 Ca 0.11 -0.24 -0.04 0.00 -1.16 0.00 0.00 60.37 59.04 2jsc h HIS 54 Cb 0.28 -0.10 -0.01 0.00 1.06 0.00 0.00 27.41 28.64 2jsc h HIS 54 CO 0.01 0.99 -0.01 -0.07 0.86 0.00 0.00 177.93 179.71 2jsc h LEU 55 N 0.32 0.33 -0.05 2.43 3.38 -0.65 -3.30 115.31 117.78 2jsc h LEU 55 Ca -0.02 -0.05 0.03 0.00 0.09 0.00 0.00 57.88 57.93 2jsc h LEU 55 Cb 1.23 -0.09 -0.04 0.00 0.09 0.00 0.00 40.66 41.86 2jsc h LEU 55 CO 0.12 0.40 -0.16 0.28 0.09 0.00 0.00 178.44 179.17 2jsc h SER 56 N 0.35 -0.48 -0.77 -0.43 0.02 -0.86 -0.90 113.55 110.48 2jsc h SER 56 Ca 0.08 0.08 -0.05 0.00 -0.84 0.00 0.00 61.79 61.06 2jsc h SER 56 Cb 0.25 0.21 -0.03 0.00 0.14 0.00 0.00 62.40 62.97 2jsc h SER 56 CO 0.01 -0.22 0.30 0.00 -1.14 0.00 0.00 176.83 175.78 2jsc h LEU 58 N 1.12 0.00 -0.34 0.00 5.85 -1.26 0.14 115.31 120.82 2jsc h LEU 58 Ca 0.26 0.00 -0.18 0.00 0.84 0.00 0.00 57.88 58.79 2jsc h LEU 58 Cb 0.23 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.26 2jsc h LEU 58 CO -0.02 0.00 -0.57 0.03 -0.34 0.00 0.00 178.44 177.54 2jsc h ARG 59 N 0.00 0.79 0.11 1.25 3.08 -1.41 -1.23 114.38 116.96 2jsc h ARG 59 Ca 0.04 -0.51 -0.27 0.00 0.07 0.00 0.00 59.98 59.31 2jsc h ARG 59 Cb 0.20 0.07 0.01 0.00 0.08 0.00 0.00 29.97 30.33 2jsc h ARG 59 CO -0.00 1.14 -1.19 0.78 -1.07 0.00 0.00 179.97 179.63 2jsc h GLY 60 N 0.79 0.42 2.00 0.04 0.00 -0.96 -2.79 103.07 102.56 2jsc h GLY 60 Ca 0.01 -0.94 0.00 0.00 0.00 0.00 0.00 47.33 46.39 2jsc h GLY 60 CO 0.12 0.83 0.00 0.00 0.00 0.00 0.00 176.54 177.49 2jsc n GLY 62 N -1.12 2.72 0.26 0.00 0.00 -1.05 -4.92 105.19 101.07 2jsc n GLY 62 Ca -0.00 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.04 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 0.33 -8.76 0.99 3.38 -1.51 -3.35 115.31 106.39 2jsc h LEU 63 Ca 0.00 -0.06 -0.67 0.00 0.09 0.00 0.00 57.88 57.25 2jsc h LEU 63 Cb 0.00 -0.09 -0.25 0.00 0.09 0.00 0.00 40.66 40.42 2jsc h LEU 63 CO 0.00 0.43 -0.75 0.68 0.09 0.00 0.00 178.44 178.89 2jsc s VAL 64 N -4.88 3.21 -0.07 1.22 -7.23 -0.57 -1.07 120.40 111.00 2jsc s VAL 64 Ca -0.06 -0.63 0.05 0.00 -1.81 0.00 0.00 61.98 59.53 2jsc s VAL 64 Cb 0.16 -2.33 -0.00 0.00 0.56 0.00 0.00 36.38 34.76 2jsc s VAL 64 CO 0.74 0.54 -0.22 -0.69 -0.31 0.00 0.00 175.10 175.16 2jsc s VAL 65 N -0.02 1.87 0.36 1.32 1.01 0.46 -4.26 120.40 121.15 2jsc s VAL 65 Ca -0.03 -0.94 -0.27 0.00 0.00 0.00 0.00 61.98 60.75 2jsc s VAL 65 Cb -0.14 -1.60 -0.09 0.00 0.00 0.00 0.00 36.38 34.55 2jsc s VAL 65 CO 0.04 0.52 1.17 0.00 0.00 0.00 0.00 175.10 176.83 2jsc s ALA 66 N 0.11 3.27 0.07 5.51 0.00 -1.26 -1.43 121.76 128.04 2jsc s ALA 66 Ca -0.10 0.99 -0.26 0.00 0.00 0.00 0.00 51.96 52.59 2jsc s ALA 66 Cb -0.15 -3.38 0.08 0.00 0.00 0.00 0.00 23.12 19.68 2jsc s ALA 66 CO 0.05 -0.45 0.72 0.99 0.00 0.00 0.00 175.76 177.08 2jsc s THR 67 N -1.32 0.00 0.14 0.00 2.01 -0.83 -4.96 115.64 110.67 2jsc s THR 67 Ca 0.53 0.00 -0.12 0.00 0.31 0.00 0.00 61.69 62.40 2jsc s THR 67 Cb -0.32 -1.00 -0.07 0.00 0.01 0.00 0.00 72.50 71.12 2jsc s THR 67 CO 0.41 0.00 0.51 -0.31 -0.69 0.00 0.00 174.62 174.54 2jsc s TYR 68 N -3.25 3.58 0.00 4.92 1.51 -1.26 -0.21 117.35 122.63 2jsc s TYR 68 Ca 0.02 0.96 0.00 0.00 -1.01 0.00 0.00 57.07 57.03 2jsc s TYR 68 Cb -0.01 -2.29 0.00 0.00 -0.11 0.00 0.00 41.96 39.55 2jsc s TYR 68 CO -0.09 0.44 0.00 -0.85 -1.11 0.00 0.00 175.55 173.93 2jsc n GLU 69 N 0.72 2.21 0.00 -0.62 -0.00 0.33 -4.86 120.64 118.42 2jsc n GLU 69 Ca -0.05 0.00 0.09 0.00 -0.00 0.00 0.00 57.16 57.19 2jsc n GLU 69 Cb 0.52 0.00 0.41 0.00 -0.00 0.00 0.00 31.44 32.37 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 5.00 -1.01 0.00 -1.84 0.00 -1.26 -3.94 105.19 102.14 2jsc n GLY 70 Ca 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 46.02 45.95 2jsc n GLY 70 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2jsc n ARG 71 N -1.41 0.34 -3.07 1.61 1.74 -1.26 -5.16 116.66 109.45 2jsc n ARG 71 Ca 0.06 0.00 -0.09 0.00 -0.77 0.00 0.00 57.85 57.05 2jsc n ARG 71 Cb 0.18 -0.55 -0.02 0.00 -1.02 0.00 0.00 32.46 31.05 2jsc n ARG 71 CO 0.00 0.00 0.00 0.94 -1.52 0.00 0.00 177.63 177.05 2jsc n GLN 72 N -0.77 0.40 -2.79 5.56 -0.06 -1.25 -5.16 117.38 113.30 2jsc n GLN 72 Ca 0.00 -1.73 -0.35 0.00 -2.00 0.00 0.00 57.00 52.91 2jsc n GLN 72 Cb 0.05 1.63 -0.07 0.00 -4.06 0.00 0.00 30.24 27.79 2jsc n GLN 72 CO 0.00 0.00 0.00 0.54 -0.20 0.00 0.00 177.06 177.40 2jsc s VAL 73 N -2.68 4.27 0.22 1.69 0.11 -1.26 -0.51 120.40 122.23 2jsc s VAL 73 Ca 0.18 1.66 0.06 0.00 -2.93 0.00 0.00 61.98 60.95 2jsc s VAL 73 Cb -0.00 -3.81 -0.05 0.00 -1.53 0.00 0.00 36.38 30.98 2jsc s VAL 73 CO 0.13 -0.07 -0.07 0.00 -3.33 0.00 0.00 175.10 171.76 2jsc s ARG 74 N -2.58 1.32 -0.22 1.54 1.70 0.70 -4.05 118.95 117.36 2jsc s ARG 74 Ca 0.56 -1.63 -0.05 0.00 -0.47 0.00 0.00 55.73 54.14 2jsc s ARG 74 Cb -0.14 -0.87 -0.01 0.00 -0.57 0.00 0.00 34.95 33.35 2jsc s ARG 74 CO 0.19 0.05 -0.02 0.71 -1.08 0.00 0.00 175.30 175.15 2jsc s TYR 75 N -3.19 2.99 0.38 5.89 2.02 -1.26 -1.96 117.35 122.21 2jsc s TYR 75 Ca 0.24 -0.80 0.07 0.00 -0.37 0.00 0.00 57.07 56.21 2jsc s TYR 75 Cb 0.03 -2.13 -0.07 0.00 -0.40 0.00 0.00 41.96 39.39 2jsc s TYR 75 CO 0.07 -0.49 -0.01 0.00 -1.57 0.00 0.00 175.55 173.55 2jsc s ALA 76 N 1.46 2.96 0.80 3.71 0.00 -0.51 -4.24 121.76 125.94 2jsc s ALA 76 Ca 0.05 -2.21 -0.14 0.00 0.00 0.00 0.00 51.96 49.67 2jsc s ALA 76 Cb -0.14 0.19 0.06 0.00 0.00 0.00 0.00 23.12 23.23 2jsc s ALA 76 CO -0.01 -0.10 1.10 1.28 0.00 0.00 0.00 175.76 178.03 2jsc n LEU 77 N -0.87 3.95 -0.33 0.00 4.77 -1.26 -0.40 117.00 122.85 2jsc n LEU 77 Ca -0.05 0.59 0.17 0.00 -0.03 0.00 0.00 56.01 56.70 2jsc n LEU 77 Cb 0.66 -1.47 0.37 0.00 -2.33 0.00 0.00 43.42 40.66 2jsc n LEU 77 CO 0.46 -1.88 1.13 0.00 -1.33 0.00 0.00 177.39 175.77 2jsc h ALA 78 N -0.78 1.71 -1.55 -1.18 0.00 -1.23 -3.40 119.26 112.83 2jsc h ALA 78 Ca -0.46 0.14 0.31 0.00 0.00 0.00 0.00 54.91 54.89 2jsc h ALA 78 Cb 1.31 0.06 -0.12 0.00 0.00 0.00 0.00 17.79 19.04 2jsc h ALA 78 CO 0.45 -0.31 0.79 0.34 0.00 0.00 0.00 179.25 180.52 2jsc s ASP 79 N -5.17 -0.08 0.44 0.00 -1.08 -1.26 -4.89 116.67 104.63 2jsc s ASP 79 Ca -0.11 -0.16 0.26 0.00 -0.52 0.00 0.00 52.55 52.03 2jsc s ASP 79 Cb 0.27 0.20 1.31 0.00 -1.46 0.00 0.00 42.92 43.23 2jsc s ASP 79 CO 0.79 -0.36 1.73 0.77 0.52 0.00 0.00 175.17 178.62 2jsc h SER 80 N 2.00 0.28 -0.04 -0.34 4.64 -1.99 -2.03 113.55 116.07 2jsc h SER 80 Ca -0.29 0.08 0.03 0.00 -0.47 0.00 0.00 61.79 61.15 2jsc h SER 80 Cb 1.20 0.04 -0.05 0.00 -0.31 0.00 0.00 62.40 63.29 2jsc h SER 80 CO 0.28 -0.01 -0.23 0.45 -0.87 0.00 0.00 176.83 176.45 2jsc h HIS 81 N 0.21 -0.60 -0.12 4.77 3.86 -1.99 -1.98 115.15 119.29 2jsc h HIS 81 Ca 0.66 0.02 -0.20 0.00 -1.16 0.00 0.00 60.37 59.70 2jsc h HIS 81 Cb 2.04 0.27 0.00 0.00 1.06 0.00 0.00 27.41 30.78 2jsc h HIS 81 CO -0.00 -0.31 -0.72 -0.07 0.86 0.00 0.00 177.93 177.68 2jsc h LEU 82 N -0.34 0.68 -0.29 2.43 3.38 -1.79 -2.94 115.31 116.45 2jsc h LEU 82 Ca 0.07 -0.44 0.06 0.00 0.09 0.00 0.00 57.88 57.67 2jsc h LEU 82 Cb 0.44 -0.20 -0.06 0.00 0.09 0.00 0.00 40.66 40.92 2jsc h LEU 82 CO -0.23 1.20 -0.12 0.00 0.09 0.00 0.00 178.44 179.38 2jsc h ALA 83 N 0.79 0.12 -0.00 1.53 0.00 -1.25 0.28 119.26 120.73 2jsc h ALA 83 Ca -0.03 0.11 -0.19 0.00 0.00 0.00 0.00 54.91 54.80 2jsc h ALA 83 Cb 1.32 0.30 -0.01 0.00 0.00 0.00 0.00 17.79 19.39 2jsc h ALA 83 CO 0.14 -0.51 -0.83 0.07 0.00 0.00 0.00 179.25 178.11 2jsc h ARG 84 N -0.07 0.16 -0.33 0.00 -0.00 -1.42 -0.24 114.38 112.49 2jsc h ARG 84 Ca 0.15 -0.17 -0.05 0.00 -0.00 0.00 0.00 59.98 59.91 2jsc h ARG 84 Cb 0.29 0.05 -0.01 0.00 -0.00 0.00 0.00 29.97 30.30 2jsc h ARG 84 CO -0.34 0.90 0.00 0.00 -0.00 0.00 0.00 179.97 180.54 2jsc h ALA 85 N 1.04 0.44 -0.32 0.08 0.00 -1.30 -0.37 119.26 118.84 2jsc h ALA 85 Ca -0.03 -0.24 -0.16 0.00 0.00 0.00 0.00 54.91 54.48 2jsc h ALA 85 Cb 1.45 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 19.11 2jsc h ALA 85 CO 0.12 0.19 -0.43 1.25 0.00 0.00 0.00 179.25 180.39 2jsc h LEU 86 N 0.38 0.85 -1.13 0.00 6.46 -0.99 -2.68 115.31 118.20 2jsc h LEU 86 Ca 0.09 -0.40 -0.05 0.00 -0.12 0.00 0.00 57.88 57.40 2jsc h LEU 86 Cb 0.44 -0.24 -0.02 0.00 -0.73 0.00 0.00 40.66 40.11 2jsc h LEU 86 CO 0.02 1.16 0.02 1.23 -0.62 0.00 0.00 178.44 180.25 2jsc h GLY 87 N 0.88 0.68 -0.39 3.75 0.00 -0.94 0.10 103.07 107.15 2jsc h GLY 87 Ca 0.05 -0.41 0.00 0.00 0.00 0.00 0.00 47.33 46.97 2jsc h GLY 87 CO 0.09 0.38 0.00 -1.84 0.00 0.00 0.00 176.54 175.18 2jsc n GLU 88 N -4.27 1.27 0.00 4.80 0.28 -0.16 -4.94 120.64 117.63 2jsc n GLU 88 Ca 0.02 -0.42 0.00 0.00 -0.16 0.00 0.00 57.16 56.60 2jsc n GLU 88 Cb 0.25 -1.11 0.00 0.00 1.43 0.00 0.00 31.44 32.01 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 -0.18 0.00 0.00 -1.84 7.94 0.02 -1.11 117.00 121.83 2jsc n LEU 89 Ca 0.05 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.95 2jsc n LEU 89 Cb 0.10 -0.05 0.00 0.00 0.53 0.00 0.00 43.42 44.00 2jsc n LEU 89 CO 0.03 0.00 0.00 1.33 -1.11 0.00 0.00 177.39 177.64 2jsc n VAL 90 N -1.43 0.00 0.00 1.96 0.24 -1.24 -4.92 118.33 112.95 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 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.37 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 -0.12 0.00 0.00 7.34 1.13 -0.27 -4.81 117.38 120.65 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 0.00 -0.03 0.00 0.00 0.11 0.00 0.00 30.24 30.32 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 0.00 0.00 -1.98 5.09 3.14 -1.26 -4.68 118.33 118.64 2jsc n VAL 92 Ca 0.00 0.00 -0.11 0.00 -2.96 0.00 0.00 64.34 61.27 2jsc n VAL 92 Cb 0.00 -0.16 -0.02 0.00 -1.06 0.00 0.00 33.84 32.60 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 0.15 -0.39 -1.49 1.55 0.31 -1.26 -4.20 118.33 113.00 2jsc n VAL 93 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 2jsc n VAL 93 Cb 0.00 -1.67 0.00 0.00 -0.91 0.00 0.00 33.84 31.26 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 -1.49 -1.99 -4.59 7.52 7.94 -1.26 -5.04 117.00 118.10 2jsc n LEU 94 Ca -0.13 0.00 -0.42 0.00 -1.11 0.00 0.00 56.01 54.35 2jsc n LEU 94 Cb 0.54 -0.99 -0.05 0.00 0.53 0.00 0.00 43.42 43.44 2jsc n LEU 94 CO 0.16 0.00 0.56 0.00 -1.11 0.00 0.00 177.39 176.99 2jsc s ALA 95 N 0.00 3.44 -0.01 1.96 0.00 -1.26 -5.02 121.76 120.87 2jsc s ALA 95 Ca 0.00 -0.65 -0.02 0.00 0.00 0.00 0.00 51.96 51.29 2jsc s ALA 95 Cb 0.00 -3.33 0.00 0.00 0.00 0.00 0.00 23.12 19.79 2jsc s ALA 95 CO 0.00 -1.43 0.06 0.14 0.00 0.00 0.00 175.76 174.52 2jsc s VAL 96 N 3.04 0.03 0.15 0.00 -7.23 -1.26 -5.14 120.40 109.98 2jsc s VAL 96 Ca 0.31 -0.25 -0.32 0.00 -1.81 0.00 0.00 61.98 59.91 2jsc s VAL 96 Cb -0.13 -0.17 -0.12 0.00 0.56 0.00 0.00 36.38 36.52 2jsc s VAL 96 CO 0.16 -0.14 1.76 0.47 -0.31 0.00 0.00 175.10 177.04 2jsc n ASP 97 N 2.59 3.84 0.00 4.85 9.92 -1.26 -4.48 116.55 132.02 2jsc n ASP 97 Ca -0.16 1.03 0.00 0.00 -0.53 0.00 0.00 54.79 55.13 2jsc n ASP 97 Cb 0.58 -1.53 0.00 0.00 -0.64 0.00 0.00 41.12 39.53 2jsc n ASP 97 CO 0.00 0.00 0.00 0.41 0.13 0.00 0.00 177.20 177.74 2jsc n THR 98 N 4.25 0.00 0.00 -3.53 -1.04 -1.26 -4.98 114.28 107.73 2jsc n THR 98 Ca 0.17 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.18 2jsc n THR 98 Cb 0.35 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.86 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 -2.80 0.00 -0.64 8.00 2.03 -1.26 -5.18 116.55 116.70 2jsc n ASP 99 Ca 0.00 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.31 2jsc n ASP 99 Cb 0.00 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.40 2jsc n ASP 99 CO 0.00 0.00 0.00 1.67 -1.92 0.00 0.00 177.20 176.95 2jsc n GLN 100 N 0.00 2.92 0.00 -0.67 -0.06 -1.26 -5.15 117.38 113.15 2jsc n GLN 100 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 57.00 55.00 2jsc n GLN 100 Cb 0.00 0.00 0.00 0.00 -4.06 0.00 0.00 30.24 26.18 2jsc n GLN 100 CO 0.00 0.00 0.00 -0.35 -0.20 0.00 0.00 177.06 176.51 2jsc n PRO 101 N -0.14 1.07 -3.55 3.69 -0.04 -1.26 -4.59 135.00 130.18 2jsc n PRO 101 Ca 0.00 0.00 -0.26 0.00 -0.04 0.00 0.00 63.50 63.20 2jsc n PRO 101 Cb 0.00 0.00 -0.01 0.00 -0.04 0.00 0.00 33.50 33.45 2jsc n PRO 101 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2jsc h VAL 103 N -1.11 1.08 -4.08 0.00 3.04 -2.04 -3.46 116.25 109.69 2jsc h VAL 103 Ca -0.46 -0.40 -0.48 0.00 -1.01 0.00 0.00 66.70 64.35 2jsc h VAL 103 Cb 1.31 -0.18 0.14 0.00 -2.01 0.00 0.00 31.29 30.55 2jsc h VAL 103 CO 0.58 0.21 0.25 0.00 -1.01 0.00 0.00 177.57 177.61 2jsc s ALA 104 N -6.04 1.54 0.34 3.17 0.00 -1.26 -4.96 121.76 114.55 2jsc s ALA 104 Ca -0.12 -0.16 -0.27 0.00 0.00 0.00 0.00 51.96 51.40 2jsc s ALA 104 Cb 0.20 -3.16 -0.09 0.00 0.00 0.00 0.00 23.12 20.07 2jsc s ALA 104 CO 0.81 -2.36 1.13 -1.21 0.00 0.00 0.00 175.76 174.14 2jsc s GLU 105 N -4.99 4.34 0.00 0.00 0.41 -1.26 -5.25 118.70 111.95 2jsc s GLU 105 Ca 0.63 1.81 0.00 0.00 -0.41 0.00 0.00 54.97 57.00 2jsc s GLU 105 Cb -0.17 -2.90 0.00 0.00 -1.78 0.00 0.00 34.13 29.28 2jsc s GLU 105 CO 0.56 -0.06 0.00 2.89 -0.49 0.00 0.00 175.26 178.16