#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 0.01 -1.80 0.00 -0.00 -2.04 -0.78 115.31 110.69 2jsc h LEU 11 Ca 0.00 -0.00 0.18 0.00 -0.00 0.00 0.00 57.88 58.06 2jsc h LEU 11 Cb 0.00 -0.00 -0.04 0.00 -0.00 0.00 0.00 40.66 40.62 2jsc h LEU 11 CO 0.00 0.01 0.50 0.00 -0.00 0.00 0.00 178.44 178.94 2jsc h ALA 12 N 1.98 2.40 0.00 1.53 0.00 -2.06 -0.68 119.26 122.42 2jsc h ALA 12 Ca 0.02 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.92 2jsc h ALA 12 Cb 0.05 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.85 2jsc h ALA 12 CO -0.00 -0.60 0.00 0.00 0.00 0.00 0.00 179.25 178.65 2jsc h ARG 13 N 0.19 0.00 -0.33 0.00 2.47 -1.57 -2.21 114.38 112.93 2jsc h ARG 13 Ca 0.35 0.00 -0.17 0.00 -1.26 0.00 0.00 59.98 58.90 2jsc h ARG 13 Cb 1.10 0.00 -0.00 0.00 -1.65 0.00 0.00 29.97 29.42 2jsc h ARG 13 CO -0.06 0.00 -0.45 1.25 0.56 0.00 0.00 179.97 181.27 2jsc h LEU 14 N 0.00 0.93 -0.75 3.04 7.12 -1.27 -0.32 115.31 124.07 2jsc h LEU 14 Ca 0.00 -0.45 -0.04 0.00 0.13 0.00 0.00 57.88 57.52 2jsc h LEU 14 Cb 0.32 -0.26 -0.03 0.00 -0.53 0.00 0.00 40.66 40.15 2jsc h LEU 14 CO 0.00 1.23 0.31 1.23 -0.13 0.00 0.00 178.44 181.08 2jsc h GLY 15 N 0.81 1.19 0.73 3.75 0.00 -1.50 -1.95 103.07 106.10 2jsc h GLY 15 Ca 0.04 -0.64 0.04 0.00 0.00 0.00 0.00 47.33 46.78 2jsc h GLY 15 CO 0.10 0.60 0.24 -0.09 0.00 0.00 0.00 176.54 177.39 2jsc h ARG 16 N 1.07 0.46 0.00 4.80 1.12 -1.36 -0.33 114.38 120.14 2jsc h ARG 16 Ca 0.25 -0.03 0.00 0.00 -1.11 0.00 0.00 59.98 59.09 2jsc h ARG 16 Cb 0.20 -0.10 0.00 0.00 -0.01 0.00 0.00 29.97 30.05 2jsc h ARG 16 CO -0.02 0.30 0.00 0.00 -3.11 0.00 0.00 179.97 177.14 2jsc h ALA 17 N 1.26 1.00 0.00 2.80 0.00 -0.32 -0.28 119.26 123.73 2jsc h ALA 17 Ca 0.21 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.12 2jsc h ALA 17 Cb 0.13 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.92 2jsc h ALA 17 CO -0.15 0.00 -1.50 1.28 0.00 0.00 0.00 179.25 178.87 2jsc n LEU 18 N -3.03 0.42 0.09 0.00 4.32 -0.79 -4.33 117.00 113.68 2jsc n LEU 18 Ca -0.02 -0.12 -0.13 0.00 -0.02 0.00 0.00 56.01 55.73 2jsc n LEU 18 Cb 0.15 -0.02 -0.08 0.00 -1.62 0.00 0.00 43.42 41.85 2jsc n LEU 18 CO 0.22 0.06 0.11 0.00 -1.22 0.00 0.00 177.39 176.56 2jsc h ALA 19 N 2.36 0.30 -2.00 -1.18 0.00 -0.23 -3.40 119.26 115.11 2jsc h ALA 19 Ca 0.00 -0.80 -0.62 0.00 0.00 0.00 0.00 54.91 53.50 2jsc h ALA 19 Cb 0.82 -0.03 0.09 0.00 0.00 0.00 0.00 17.79 18.66 2jsc h ALA 19 CO 0.00 0.94 0.33 -0.25 0.00 0.00 0.00 179.25 180.27 2jsc n ASP 20 N -3.61 1.76 0.00 0.00 9.92 -0.19 -4.85 116.55 119.58 2jsc n ASP 20 Ca -0.06 1.16 0.00 0.00 -0.53 0.00 0.00 54.79 55.36 2jsc n ASP 20 Cb 0.91 -1.30 0.00 0.00 -0.64 0.00 0.00 41.12 40.08 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 1.47 0.00 -0.25 -0.24 -0.04 -1.26 -0.56 135.00 134.12 2jsc n PRO 21 Ca 0.12 0.13 0.13 0.00 -0.04 0.00 0.00 63.50 63.84 2jsc n PRO 21 Cb 0.29 -1.13 0.40 0.00 -0.04 0.00 0.00 33.50 33.02 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 0.82 -0.38 0.52 2.02 -1.97 -2.64 112.91 111.27 2jsc h THR 22 Ca 0.00 -0.22 -0.08 0.00 0.77 0.00 0.00 66.41 66.88 2jsc h THR 22 Cb 0.00 0.12 -0.01 0.00 -1.74 0.00 0.00 68.15 66.52 2jsc h THR 22 CO 0.00 0.12 -0.08 -0.09 0.37 0.00 0.00 175.52 175.83 2jsc h ARG 23 N 0.64 0.73 -0.67 6.66 2.43 -1.86 0.33 114.38 122.64 2jsc h ARG 23 Ca 0.44 -0.28 0.09 0.00 -0.81 0.00 0.00 59.98 59.43 2jsc h ARG 23 Cb 0.76 -0.04 -0.07 0.00 -0.42 0.00 0.00 29.97 30.19 2jsc h ARG 23 CO -0.19 0.87 0.31 0.00 -1.51 0.00 0.00 179.97 179.45 2jsc h ARG 25 N 0.53 0.73 -0.24 0.00 9.65 -1.04 -3.04 114.38 120.96 2jsc h ARG 25 Ca 0.33 -0.17 0.05 0.00 -1.10 0.00 0.00 59.98 59.10 2jsc h ARG 25 Cb 0.37 -0.10 -0.05 0.00 -1.39 0.00 0.00 29.97 28.80 2jsc h ARG 25 CO -0.28 0.71 -0.09 0.82 2.80 0.00 0.00 179.97 183.93 2jsc h ILE 26 N 0.62 0.69 -0.99 1.20 2.04 0.10 -2.88 117.51 118.29 2jsc h ILE 26 Ca 0.15 0.00 0.17 0.00 1.00 0.00 0.00 64.86 66.17 2jsc h ILE 26 Cb 0.30 0.69 -0.09 0.00 -0.74 0.00 0.00 36.82 36.97 2jsc h ILE 26 CO -0.00 0.00 0.62 -0.07 0.00 0.00 0.00 178.15 178.69 2jsc h LEU 27 N -0.04 0.80 -2.07 1.44 3.38 -1.08 -0.59 115.31 117.15 2jsc h LEU 27 Ca 0.12 0.07 -0.00 0.00 0.09 0.00 0.00 57.88 58.17 2jsc h LEU 27 Cb 0.23 -0.08 -0.00 0.00 0.09 0.00 0.00 40.66 40.91 2jsc h LEU 27 CO -0.28 0.34 -0.01 -0.37 0.09 0.00 0.00 178.44 178.22 2jsc h VAL 28 N 0.81 0.03 -0.00 1.22 -1.51 -1.51 -0.54 116.25 114.75 2jsc h VAL 28 Ca 0.54 -0.32 0.00 0.00 -1.23 0.00 0.00 66.70 65.68 2jsc h VAL 28 Cb 0.78 1.31 0.00 0.00 -2.13 0.00 0.00 31.29 31.25 2jsc h VAL 28 CO -0.32 0.01 -0.15 0.00 -1.23 0.00 0.00 177.57 175.88 2jsc n ALA 29 N -2.10 2.80 0.47 5.19 0.00 -0.23 -2.40 120.51 124.24 2jsc n ALA 29 Ca -0.01 -0.24 0.07 0.00 0.00 0.00 0.00 53.44 53.26 2jsc n ALA 29 Cb 0.21 -1.33 -0.10 0.00 0.00 0.00 0.00 19.45 18.24 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 -1.19 0.47 -0.03 0.00 4.32 -0.29 -1.57 117.00 118.72 2jsc n LEU 30 Ca 0.11 -0.34 -0.13 0.00 -0.02 0.00 0.00 56.01 55.64 2jsc n LEU 30 Cb 0.30 0.00 -0.08 0.00 -1.62 0.00 0.00 43.42 42.02 2jsc n LEU 30 CO 0.26 0.12 0.66 0.25 -1.22 0.00 0.00 177.39 177.47 2jsc h LEU 31 N 0.00 0.17 -6.89 2.23 6.46 -1.34 -3.38 115.31 112.56 2jsc h LEU 31 Ca 0.00 -0.42 -0.57 0.00 -0.12 0.00 0.00 57.88 56.77 2jsc h LEU 31 Cb 0.47 -0.05 -0.40 0.00 -0.73 0.00 0.00 40.66 39.95 2jsc h LEU 31 CO 0.00 0.55 -0.78 -0.62 -0.62 0.00 0.00 178.44 176.97 2jsc s ASP 32 N -5.81 3.58 0.00 1.25 2.15 -1.01 -4.99 116.67 111.83 2jsc s ASP 32 Ca -0.15 -1.82 0.00 0.00 0.43 0.00 0.00 52.55 51.01 2jsc s ASP 32 Cb 0.04 -0.63 0.00 0.00 -0.30 0.00 0.00 42.92 42.03 2jsc s ASP 32 CO 0.71 -0.37 0.00 0.61 -0.17 0.00 0.00 175.17 175.94 2jsc n GLY 33 N 4.57 -1.21 2.93 2.66 0.00 -1.12 -4.33 105.19 108.70 2jsc n GLY 33 Ca 0.02 0.44 -0.18 0.00 0.00 0.00 0.00 46.02 46.30 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 0.00 -0.93 -0.02 1.61 0.24 -0.61 -4.90 118.33 113.73 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 -1.96 -0.00 0.00 -1.47 0.00 0.00 33.84 30.41 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 -1.26 -0.11 0.36 0.00 2.02 -1.26 -4.05 117.35 113.06 2jsc s TYR 36 Ca -0.00 -0.13 0.35 0.00 -0.37 0.00 0.00 57.07 56.91 2jsc s TYR 36 Cb 0.00 0.13 1.89 0.00 -0.40 0.00 0.00 41.96 43.59 2jsc s TYR 36 CO 0.01 -0.58 2.06 -1.00 -1.57 0.00 0.00 175.55 174.46 2jsc h PRO 37 N 2.83 0.00 0.00 -1.71 0.13 -1.92 -0.22 132.00 131.11 2jsc h PRO 37 Ca -0.33 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.80 2jsc h PRO 37 Cb 1.22 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.35 2jsc h PRO 37 CO 0.48 0.00 -0.42 0.41 -0.23 0.00 0.00 178.00 178.24 2jsc n GLY 38 N -1.17 -1.39 0.15 1.56 0.00 -1.26 -4.48 105.19 98.60 2jsc n GLY 38 Ca -0.02 -0.24 -0.16 0.00 0.00 0.00 0.00 46.02 45.60 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 0.45 0.00 1.61 -0.00 -1.42 -3.24 115.11 112.50 2jsc h GLN 39 Ca 0.00 -0.54 0.00 0.00 -0.00 0.00 0.00 58.65 58.11 2jsc h GLN 39 Cb 0.61 0.17 0.00 0.00 -0.00 0.00 0.00 27.48 28.26 2jsc h GLN 39 CO 0.00 1.19 0.00 -0.07 -0.00 0.00 0.00 178.83 179.95 2jsc h LEU 40 N 0.23 0.00 -1.27 0.06 4.07 -1.79 -3.05 115.31 113.56 2jsc h LEU 40 Ca -0.11 0.00 -0.01 0.00 0.08 0.00 0.00 57.88 57.84 2jsc h LEU 40 Cb 1.71 0.00 -0.03 0.00 1.08 0.00 0.00 40.66 43.41 2jsc h LEU 40 CO 0.19 0.00 0.38 0.00 -1.08 0.00 0.00 178.44 177.93 2jsc h ALA 41 N 2.02 1.45 -0.01 1.53 0.00 -1.75 0.18 119.26 122.67 2jsc h ALA 41 Ca 0.00 -0.08 -0.06 0.00 0.00 0.00 0.00 54.91 54.77 2jsc h ALA 41 Cb 0.33 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 17.86 2jsc h ALA 41 CO 0.00 0.47 -0.21 0.00 0.00 0.00 0.00 179.25 179.51 2jsc h ALA 42 N 1.53 0.04 -0.68 0.00 0.00 -1.77 -2.47 119.26 115.92 2jsc h ALA 42 Ca 0.23 -0.44 0.06 0.00 0.00 0.00 0.00 54.91 54.76 2jsc h ALA 42 Cb -0.02 0.01 -0.04 0.00 0.00 0.00 0.00 17.79 17.73 2jsc h ALA 42 CO -0.04 0.06 0.45 1.25 0.00 0.00 0.00 179.25 180.96 2jsc h HIS 43 N -0.48 0.70 0.00 0.00 6.17 -1.43 -2.21 115.15 117.90 2jsc h HIS 43 Ca -0.02 0.02 0.00 0.00 0.71 0.00 0.00 60.37 61.07 2jsc h HIS 43 Cb 0.94 -0.23 0.00 0.00 2.52 0.00 0.00 27.41 30.64 2jsc h HIS 43 CO 0.17 0.37 -1.11 1.28 0.71 0.00 0.00 177.93 179.35 2jsc n LEU 44 N -4.48 0.59 -0.11 0.26 4.77 0.56 -4.97 117.00 113.63 2jsc n LEU 44 Ca 0.10 -0.01 -0.01 0.00 -0.03 0.00 0.00 56.01 56.05 2jsc n LEU 44 Cb 0.23 -0.08 -0.01 0.00 -2.33 0.00 0.00 43.42 41.23 2jsc n LEU 44 CO 0.34 0.03 -0.01 0.61 -1.33 0.00 0.00 177.39 177.03 2jsc n GLY 45 N 1.35 0.29 3.46 -0.72 0.00 -0.83 -4.99 105.19 103.74 2jsc n GLY 45 Ca 0.01 -0.03 -0.29 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 -0.31 2.60 0.56 0.99 1.43 -0.96 -5.00 118.68 117.99 2jsc s LEU 46 Ca 0.00 -0.61 -0.21 0.00 -1.03 0.00 0.00 54.13 52.28 2jsc s LEU 46 Cb 0.00 -1.46 -0.04 0.00 0.03 0.00 0.00 46.19 44.72 2jsc s LEU 46 CO 0.00 0.18 1.32 0.42 0.23 0.00 0.00 176.35 178.50 2jsc s THR 47 N -1.12 2.20 0.66 5.49 -4.23 -1.26 -4.36 115.64 113.02 2jsc s THR 47 Ca 0.17 0.14 0.42 0.00 -1.18 0.00 0.00 61.69 61.25 2jsc s THR 47 Cb -0.10 -3.07 0.43 0.00 1.34 0.00 0.00 72.50 71.09 2jsc s THR 47 CO 0.09 -0.01 2.32 0.08 -0.54 0.00 0.00 174.62 176.56 2jsc h ARG 48 N 1.30 0.00 -0.04 3.99 0.11 -1.94 0.22 114.38 118.01 2jsc h ARG 48 Ca -0.51 0.00 -0.08 0.00 0.10 0.00 0.00 59.98 59.49 2jsc h ARG 48 Cb 1.30 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.39 2jsc h ARG 48 CO 0.57 0.00 -0.29 0.77 0.10 0.00 0.00 179.97 181.12 2jsc h SER 49 N 0.00 0.33 -0.40 0.08 0.02 -1.98 -1.23 113.55 110.38 2jsc h SER 49 Ca 0.00 -0.68 -0.05 0.00 -0.84 0.00 0.00 61.79 60.22 2jsc h SER 49 Cb 0.09 -0.10 -0.02 0.00 0.14 0.00 0.00 62.40 62.51 2jsc h SER 49 CO -0.00 0.96 0.07 -1.13 -1.14 0.00 0.00 176.83 175.59 2jsc h ASN 50 N -0.27 0.63 -0.83 3.07 -0.73 -1.43 -1.11 115.58 114.90 2jsc h ASN 50 Ca -0.02 -0.26 -0.02 0.00 1.87 0.00 0.00 56.30 57.88 2jsc h ASN 50 Cb 0.97 -0.17 -0.04 0.00 0.27 0.00 0.00 38.32 39.35 2jsc h ASN 50 CO 0.06 0.72 0.46 0.58 -0.37 0.00 0.00 177.43 178.88 2jsc h VAL 51 N 0.51 1.24 -0.65 2.57 2.07 -0.78 -2.22 116.25 118.99 2jsc h VAL 51 Ca 0.12 -0.60 -0.05 0.00 0.82 0.00 0.00 66.70 66.99 2jsc h VAL 51 Cb 0.36 0.12 -0.03 0.00 -1.52 0.00 0.00 31.29 30.22 2jsc h VAL 51 CO 0.01 0.27 0.20 0.28 0.02 0.00 0.00 177.57 178.35 2jsc h SER 52 N 1.16 0.95 -0.33 0.57 0.02 -1.02 0.04 113.55 114.95 2jsc h SER 52 Ca 0.29 -0.21 0.06 0.00 -0.84 0.00 0.00 61.79 61.09 2jsc h SER 52 Cb 0.02 -0.25 -0.05 0.00 0.14 0.00 0.00 62.40 62.26 2jsc h SER 52 CO -0.05 0.91 0.01 0.78 -1.14 0.00 0.00 176.83 177.34 2jsc h ASN 53 N 0.94 -0.10 1.67 3.07 2.35 -0.79 0.89 115.58 123.61 2jsc h ASN 53 Ca 0.21 0.07 -0.06 0.00 -0.55 0.00 0.00 56.30 55.97 2jsc h ASN 53 Cb 0.30 0.12 -0.01 0.00 0.05 0.00 0.00 38.32 38.78 2jsc h ASN 53 CO -0.01 -0.02 -0.33 0.45 -1.65 0.00 0.00 177.43 175.87 2jsc h HIS 54 N 0.11 0.00 -0.03 1.19 3.86 -1.37 -2.90 115.15 116.01 2jsc h HIS 54 Ca 0.16 0.00 -0.06 0.00 -1.16 0.00 0.00 60.37 59.31 2jsc h HIS 54 Cb 0.21 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.67 2jsc h HIS 54 CO -0.22 0.30 -0.24 -0.07 0.86 0.00 0.00 177.93 178.56 2jsc h LEU 55 N 0.00 0.05 0.08 2.43 3.38 -0.54 -3.13 115.31 117.58 2jsc h LEU 55 Ca -0.01 -0.01 0.02 0.00 0.09 0.00 0.00 57.88 57.97 2jsc h LEU 55 Cb 1.23 -0.01 -0.05 0.00 0.09 0.00 0.00 40.66 41.92 2jsc h LEU 55 CO 0.04 0.30 -0.53 -1.28 0.09 0.00 0.00 178.44 177.06 2jsc h SER 56 N 0.05 -1.60 1.01 -0.43 0.87 -0.61 0.72 113.55 113.56 2jsc h SER 56 Ca 0.01 0.17 0.00 0.00 -1.23 0.00 0.00 61.79 60.74 2jsc h SER 56 Cb 0.46 0.60 0.00 0.00 -0.44 0.00 0.00 62.40 63.02 2jsc h SER 56 CO 0.03 -0.55 0.00 0.00 -0.53 0.00 0.00 176.83 175.79 2jsc h LEU 58 N 0.00 0.65 0.00 0.00 5.85 -1.10 0.15 115.31 120.86 2jsc h LEU 58 Ca 0.00 -0.25 0.00 0.00 0.84 0.00 0.00 57.88 58.47 2jsc h LEU 58 Cb 0.50 -0.18 0.00 0.00 0.37 0.00 0.00 40.66 41.35 2jsc h LEU 58 CO 0.00 0.90 -0.09 0.54 -0.34 0.00 0.00 178.44 179.46 2jsc n ARG 59 N -4.09 0.15 -0.06 1.25 1.74 0.10 -1.19 116.66 114.56 2jsc n ARG 59 Ca -0.01 0.11 -0.03 0.00 -0.77 0.00 0.00 57.85 57.15 2jsc n ARG 59 Cb 0.45 -1.67 -0.01 0.00 -1.02 0.00 0.00 32.46 30.21 2jsc n ARG 59 CO 0.00 0.00 0.00 0.78 -1.52 0.00 0.00 177.63 176.89 2jsc h GLY 60 N 4.72 0.00 0.18 -0.13 0.00 -0.98 -3.37 103.07 103.49 2jsc h GLY 60 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2jsc h GLY 60 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.54 176.54 2jsc n GLY 62 N -0.57 0.96 0.27 0.00 0.00 -1.22 -4.87 105.19 99.76 2jsc n GLY 62 Ca 0.00 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.11 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 -8.22 0.99 3.38 -1.46 -3.41 115.31 106.59 2jsc h LEU 63 Ca 0.00 0.00 -0.53 0.00 0.09 0.00 0.00 57.88 57.44 2jsc h LEU 63 Cb 0.00 0.00 -0.30 0.00 0.09 0.00 0.00 40.66 40.45 2jsc h LEU 63 CO 0.00 0.00 -0.83 0.68 0.09 0.00 0.00 178.44 178.38 2jsc s VAL 64 N -5.02 1.29 -0.03 1.22 -7.23 -0.52 -3.00 120.40 107.10 2jsc s VAL 64 Ca -0.05 -0.66 0.06 0.00 -1.81 0.00 0.00 61.98 59.52 2jsc s VAL 64 Cb 0.17 -1.10 -0.02 0.00 0.56 0.00 0.00 36.38 35.99 2jsc s VAL 64 CO 0.66 0.37 -0.22 -0.69 -0.31 0.00 0.00 175.10 174.91 2jsc s VAL 65 N -0.11 2.39 0.26 1.32 1.01 0.40 -4.36 120.40 121.30 2jsc s VAL 65 Ca 0.00 -0.98 -0.12 0.00 0.00 0.00 0.00 61.98 60.88 2jsc s VAL 65 Cb -0.09 -1.87 -0.08 0.00 0.00 0.00 0.00 36.38 34.35 2jsc s VAL 65 CO 0.01 0.58 0.62 0.00 0.00 0.00 0.00 175.10 176.31 2jsc s ALA 66 N -0.64 3.48 -0.12 5.51 0.00 -1.26 -1.56 121.76 127.18 2jsc s ALA 66 Ca 0.10 -0.15 -0.31 0.00 0.00 0.00 0.00 51.96 51.60 2jsc s ALA 66 Cb -0.10 -2.56 0.13 0.00 0.00 0.00 0.00 23.12 20.58 2jsc s ALA 66 CO -0.00 0.44 1.05 0.99 0.00 0.00 0.00 175.76 178.24 2jsc s THR 67 N -1.85 0.00 0.37 0.00 2.01 -1.07 -5.00 115.64 110.10 2jsc s THR 67 Ca 0.49 0.00 -0.26 0.00 0.31 0.00 0.00 61.69 62.23 2jsc s THR 67 Cb -0.11 -1.00 -0.09 0.00 0.01 0.00 0.00 72.50 71.31 2jsc s THR 67 CO 0.20 0.00 1.11 -0.31 -0.69 0.00 0.00 174.62 174.93 2jsc s TYR 68 N -2.40 3.26 0.00 4.92 2.02 -1.26 -0.42 117.35 123.46 2jsc s TYR 68 Ca 0.06 1.62 0.00 0.00 -0.37 0.00 0.00 57.07 58.38 2jsc s TYR 68 Cb -0.01 -3.27 0.00 0.00 -0.40 0.00 0.00 41.96 38.28 2jsc s TYR 68 CO -0.05 -0.89 0.00 -0.85 -1.57 0.00 0.00 175.55 172.19 2jsc n GLU 69 N 0.29 0.00 0.10 -0.62 -0.00 0.02 -4.84 120.64 115.60 2jsc n GLU 69 Ca 0.03 0.00 -0.03 0.00 -0.00 0.00 0.00 57.16 57.16 2jsc n GLU 69 Cb 0.47 0.00 0.02 0.00 -0.00 0.00 0.00 31.44 31.93 2jsc n GLU 69 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.13 177.91 2jsc h GLY 70 N 0.00 0.00 0.00 -1.84 0.00 -1.97 -3.45 103.07 95.80 2jsc h GLY 70 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2jsc h GLY 70 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 176.54 177.08 2jsc n ARG 71 N -3.46 0.01 -2.02 4.80 5.12 -1.26 -5.14 116.66 114.72 2jsc n ARG 71 Ca 0.00 0.00 -0.28 0.00 -1.93 0.00 0.00 57.85 55.64 2jsc n ARG 71 Cb 0.78 -0.01 0.07 0.00 -1.16 0.00 0.00 32.46 32.14 2jsc n ARG 71 CO 0.00 0.00 0.00 -0.65 -1.93 0.00 0.00 177.63 175.05 2jsc s GLN 72 N -0.90 2.22 0.02 5.56 -1.52 -1.26 -5.07 119.66 118.71 2jsc s GLN 72 Ca 0.00 0.05 -0.04 0.00 -1.95 0.00 0.00 55.36 53.42 2jsc s GLN 72 Cb 0.00 -2.05 -0.04 0.00 -0.22 0.00 0.00 33.01 30.70 2jsc s GLN 72 CO 0.00 -1.35 0.23 0.14 -0.25 0.00 0.00 175.29 174.06 2jsc s VAL 73 N -3.41 5.36 0.29 1.09 -7.23 -1.26 -0.80 120.40 114.44 2jsc s VAL 73 Ca 0.60 -0.09 0.03 0.00 -1.81 0.00 0.00 61.98 60.72 2jsc s VAL 73 Cb -0.11 -3.57 -0.06 0.00 0.56 0.00 0.00 36.38 33.20 2jsc s VAL 73 CO 0.48 0.27 0.04 0.00 -0.31 0.00 0.00 175.10 175.59 2jsc s ARG 74 N -2.06 1.53 -0.10 4.82 1.70 0.43 -4.17 118.95 121.10 2jsc s ARG 74 Ca 0.30 -1.82 0.03 0.00 -0.47 0.00 0.00 55.73 53.77 2jsc s ARG 74 Cb -0.13 -0.71 0.00 0.00 -0.57 0.00 0.00 34.95 33.54 2jsc s ARG 74 CO 0.20 -0.17 -0.21 0.71 -1.08 0.00 0.00 175.30 174.75 2jsc s TYR 75 N -3.39 2.38 0.03 5.89 2.02 -1.26 -2.60 117.35 120.41 2jsc s TYR 75 Ca 0.34 -1.01 -0.05 0.00 -0.37 0.00 0.00 57.07 55.99 2jsc s TYR 75 Cb 0.08 -1.61 -0.01 0.00 -0.40 0.00 0.00 41.96 40.01 2jsc s TYR 75 CO 0.13 -0.43 0.07 0.00 -1.57 0.00 0.00 175.55 173.76 2jsc s ALA 76 N 0.50 -0.05 0.53 3.71 0.00 -0.60 -4.29 121.76 121.56 2jsc s ALA 76 Ca -0.16 -0.52 -0.21 0.00 0.00 0.00 0.00 51.96 51.06 2jsc s ALA 76 Cb -0.17 0.21 -0.05 0.00 0.00 0.00 0.00 23.12 23.11 2jsc s ALA 76 CO 0.06 -0.27 1.27 -0.51 0.00 0.00 0.00 175.76 176.30 2jsc s LEU 77 N -1.93 3.85 0.27 0.00 1.43 -1.26 -0.45 118.68 120.59 2jsc s LEU 77 Ca -0.08 2.54 0.12 0.00 -1.03 0.00 0.00 54.13 55.68 2jsc s LEU 77 Cb -0.03 -4.34 0.30 0.00 0.03 0.00 0.00 46.19 42.15 2jsc s LEU 77 CO -0.03 -1.39 1.56 0.00 0.23 0.00 0.00 176.35 176.73 2jsc h ALA 78 N 1.50 0.84 -2.58 4.21 0.00 -1.76 -3.44 119.26 118.02 2jsc h ALA 78 Ca -0.50 -0.57 0.05 0.00 0.00 0.00 0.00 54.91 53.88 2jsc h ALA 78 Cb 1.28 -0.10 -0.14 0.00 0.00 0.00 0.00 17.79 18.83 2jsc h ALA 78 CO 0.58 0.78 0.36 0.34 0.00 0.00 0.00 179.25 181.31 2jsc s ASP 79 N -6.70 -0.46 0.42 0.00 2.15 -1.26 -5.04 116.67 105.79 2jsc s ASP 79 Ca -0.00 0.03 0.27 0.00 0.43 0.00 0.00 52.55 53.27 2jsc s ASP 79 Cb 0.11 0.48 1.35 0.00 -0.30 0.00 0.00 42.92 44.57 2jsc s ASP 79 CO 0.75 -0.77 1.65 0.77 -0.17 0.00 0.00 175.17 177.40 2jsc h SER 80 N 2.04 0.29 -0.31 -0.34 4.64 -1.98 -1.57 113.55 116.32 2jsc h SER 80 Ca -0.28 0.13 0.07 0.00 -0.47 0.00 0.00 61.79 61.25 2jsc h SER 80 Cb 1.27 0.11 -0.08 0.00 -0.31 0.00 0.00 62.40 63.39 2jsc h SER 80 CO 0.34 -0.14 -0.23 0.45 -0.87 0.00 0.00 176.83 176.38 2jsc h HIS 81 N 0.15 -0.60 0.15 4.77 3.86 -1.99 0.89 115.15 122.38 2jsc h HIS 81 Ca 0.78 0.04 -0.01 0.00 -1.16 0.00 0.00 60.37 60.02 2jsc h HIS 81 Cb 2.32 0.31 0.00 0.00 1.06 0.00 0.00 27.41 31.11 2jsc h HIS 81 CO -0.01 -0.31 -0.07 -0.07 0.86 0.00 0.00 177.93 178.34 2jsc h LEU 82 N -0.20 -0.17 -1.35 2.43 3.38 -1.72 -3.07 115.31 114.61 2jsc h LEU 82 Ca 0.16 -0.37 0.16 0.00 0.09 0.00 0.00 57.88 57.92 2jsc h LEU 82 Cb 0.45 0.04 -0.07 0.00 0.09 0.00 0.00 40.66 41.17 2jsc h LEU 82 CO -0.43 0.35 0.58 0.00 0.09 0.00 0.00 178.44 179.03 2jsc h ALA 83 N -0.11 1.95 0.19 1.53 0.00 -1.38 -0.65 119.26 120.79 2jsc h ALA 83 Ca -0.02 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 2jsc h ALA 83 Cb 0.53 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.23 2jsc h ALA 83 CO 0.03 -0.21 -0.09 -0.09 0.00 0.00 0.00 179.25 178.90 2jsc h ARG 84 N 0.59 -0.25 0.00 0.00 9.65 -0.89 -0.59 114.38 122.90 2jsc h ARG 84 Ca 0.46 0.02 -0.04 0.00 -1.10 0.00 0.00 59.98 59.32 2jsc h ARG 84 Cb 0.87 0.06 -0.01 0.00 -1.39 0.00 0.00 29.97 29.50 2jsc h ARG 84 CO -0.20 0.03 -0.17 0.00 2.80 0.00 0.00 179.97 182.42 2jsc h ALA 85 N -0.75 1.45 -0.37 2.80 0.00 -1.43 0.30 119.26 121.26 2jsc h ALA 85 Ca -0.03 -0.16 -0.14 0.00 0.00 0.00 0.00 54.91 54.59 2jsc h ALA 85 Cb 0.39 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 2jsc h ALA 85 CO 0.04 0.22 -0.30 1.25 0.00 0.00 0.00 179.25 180.46 2jsc h LEU 86 N 0.00 0.90 0.11 0.00 5.85 -1.21 -2.95 115.31 118.01 2jsc h LEU 86 Ca -0.00 -0.45 -0.29 0.00 0.84 0.00 0.00 57.88 57.98 2jsc h LEU 86 Cb 0.37 -0.25 0.02 0.00 0.37 0.00 0.00 40.66 41.17 2jsc h LEU 86 CO 0.02 1.16 -1.26 1.23 -0.34 0.00 0.00 178.44 179.25 2jsc h GLY 87 N 0.65 0.58 1.71 3.75 0.00 0.66 -3.20 103.07 107.22 2jsc h GLY 87 Ca 0.07 -1.28 0.00 0.00 0.00 0.00 0.00 47.33 46.12 2jsc h GLY 87 CO 0.08 1.12 -0.24 1.05 0.00 0.00 0.00 176.54 178.55 2jsc h GLU 88 N 0.20 0.00 -2.44 4.80 4.11 -1.26 -3.51 114.58 116.48 2jsc h GLU 88 Ca -0.18 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.25 2jsc h GLU 88 Cb 1.94 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.19 2jsc h GLU 88 CO 0.23 0.00 -0.60 -0.11 0.07 0.00 0.00 179.01 178.60 2jsc n LEU 89 N -2.47 -1.76 -0.61 3.06 7.94 -1.11 -4.64 117.00 117.40 2jsc n LEU 89 Ca 0.04 2.01 0.00 0.00 -1.11 0.00 0.00 56.01 56.95 2jsc n LEU 89 Cb 0.47 -1.64 0.00 0.00 0.53 0.00 0.00 43.42 42.78 2jsc n LEU 89 CO 0.34 0.22 0.06 1.33 -1.11 0.00 0.00 177.39 178.22 2jsc n VAL 90 N -1.05 0.04 0.00 1.96 0.24 -1.25 -4.78 118.33 113.50 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 0.03 -0.20 0.00 0.00 -1.47 0.00 0.00 33.84 32.20 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 0.52 0.00 0.00 7.34 1.13 -1.26 -4.83 117.38 120.28 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 0.06 -0.29 0.00 0.00 0.11 0.00 0.00 30.24 30.11 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 -0.62 0.00 -1.06 5.09 3.14 -1.26 -4.67 118.33 118.95 2jsc n VAL 92 Ca 0.00 0.00 -0.02 0.00 -2.96 0.00 0.00 64.34 61.36 2jsc n VAL 92 Cb 0.00 -0.13 -0.01 0.00 -1.06 0.00 0.00 33.84 32.64 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 0.54 0.00 -1.09 1.55 0.31 -1.26 -3.89 118.33 114.48 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 -0.70 0.00 0.00 -0.91 0.00 0.00 33.84 32.23 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 -0.23 -1.51 -4.59 7.52 0.00 -1.26 -4.98 117.00 111.95 2jsc n LEU 94 Ca -0.02 0.00 -0.42 0.00 0.00 0.00 0.00 56.01 55.57 2jsc n LEU 94 Cb 0.30 -0.75 -0.03 0.00 0.00 0.00 0.00 43.42 42.94 2jsc n LEU 94 CO 0.03 0.00 1.81 0.00 0.00 0.00 0.00 177.39 179.23 2jsc s ALA 95 N 0.00 2.56 0.58 1.96 0.00 -1.25 -4.99 121.76 120.62 2jsc s ALA 95 Ca 0.00 0.52 -0.19 0.00 0.00 0.00 0.00 51.96 52.29 2jsc s ALA 95 Cb 0.00 -4.11 -0.04 0.00 0.00 0.00 0.00 23.12 18.97 2jsc s ALA 95 CO 0.00 -3.07 1.18 0.14 0.00 0.00 0.00 175.76 174.01 2jsc s VAL 96 N 8.69 2.83 0.22 0.00 -7.23 -1.26 -5.00 120.40 118.65 2jsc s VAL 96 Ca 0.95 0.50 -0.16 0.00 -1.81 0.00 0.00 61.98 61.46 2jsc s VAL 96 Cb -0.28 -3.18 -0.08 0.00 0.56 0.00 0.00 36.38 33.40 2jsc s VAL 96 CO 0.33 -0.12 0.66 -0.62 -0.31 0.00 0.00 175.10 175.04 2jsc s ASP 97 N -1.72 6.90 -0.29 4.85 2.15 -1.26 -5.01 116.67 122.28 2jsc s ASP 97 Ca 0.75 1.25 -0.22 0.00 0.43 0.00 0.00 52.55 54.77 2jsc s ASP 97 Cb -0.28 -2.36 0.16 0.00 -0.30 0.00 0.00 42.92 40.15 2jsc s ASP 97 CO 0.32 -0.01 1.18 -0.89 -0.17 0.00 0.00 175.17 175.60 2jsc s THR 98 N -1.63 0.00 0.35 1.71 2.01 -1.26 -5.03 115.64 111.79 2jsc s THR 98 Ca 0.44 0.00 0.10 0.00 0.31 0.00 0.00 61.69 62.54 2jsc s THR 98 Cb -0.14 -1.00 0.08 0.00 0.01 0.00 0.00 72.50 71.45 2jsc s THR 98 CO 0.20 0.00 1.80 -2.24 -0.69 0.00 0.00 174.62 173.68 2jsc h ASP 99 N 4.44 0.12 -3.32 3.53 3.04 -2.06 -3.46 116.42 118.72 2jsc h ASP 99 Ca -0.28 -0.04 -0.45 0.00 -3.24 0.00 0.00 57.03 53.03 2jsc h ASP 99 Cb 1.18 -0.03 0.22 0.00 -1.04 0.00 0.00 39.33 39.66 2jsc h ASP 99 CO 0.17 0.46 0.02 -1.10 -2.04 0.00 0.00 179.24 176.75 2jsc s GLN 100 N -4.26 -0.88 0.76 4.15 1.11 -1.26 -5.00 119.66 114.28 2jsc s GLN 100 Ca -0.04 0.96 -0.12 0.00 0.01 0.00 0.00 55.36 56.17 2jsc s GLN 100 Cb 0.14 -1.55 0.05 0.00 -1.01 0.00 0.00 33.01 30.65 2jsc s GLN 100 CO 0.74 -3.73 1.11 -1.25 0.01 0.00 0.00 175.29 172.16 2jsc s PRO 101 N -4.43 2.23 0.14 2.91 0.04 -1.26 -4.93 135.00 129.70 2jsc s PRO 101 Ca 0.69 1.28 -0.28 0.00 0.04 0.00 0.00 61.00 62.72 2jsc s PRO 101 Cb -0.25 -1.89 -0.03 0.00 0.04 0.00 0.00 34.50 32.37 2jsc s PRO 101 CO 0.65 -1.68 1.57 0.00 0.04 0.00 0.00 177.00 177.58 2jsc n VAL 103 N -5.42 0.00 -1.64 0.00 3.14 -1.26 -5.00 118.33 108.16 2jsc n VAL 103 Ca -0.02 0.00 -0.34 0.00 -2.96 0.00 0.00 64.34 61.02 2jsc n VAL 103 Cb 0.35 0.00 -0.04 0.00 -1.06 0.00 0.00 33.84 33.09 2jsc n VAL 103 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 2jsc n ALA 104 N -2.69 6.84 -3.93 1.55 0.00 -1.26 -4.84 120.51 116.18 2jsc n ALA 104 Ca 0.00 -3.50 -0.17 0.00 0.00 0.00 0.00 53.44 49.77 2jsc n ALA 104 Cb 0.00 -2.70 -0.05 0.00 0.00 0.00 0.00 19.45 16.70 2jsc n ALA 104 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2jsc n GLU 105 N 1.97 0.33 0.00 0.00 1.02 -1.26 -5.14 120.64 117.56 2jsc n GLU 105 Ca 0.61 -2.46 0.00 0.00 -0.02 0.00 0.00 57.16 55.28 2jsc n GLU 105 Cb 0.39 2.05 0.00 0.00 -0.02 0.00 0.00 31.44 33.86 2jsc n GLU 105 CO 0.00 0.00 0.00 2.89 1.18 0.00 0.00 177.13 181.20