#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jsc n ALA 12 N 0.00 2.36 -0.10 1.96 0.00 -1.26 -2.13 120.51 121.34 2jsc n ALA 12 Ca 0.00 -0.13 -0.21 0.00 0.00 0.00 0.00 53.44 53.10 2jsc n ALA 12 Cb 0.00 -1.45 -0.11 0.00 0.00 0.00 0.00 19.45 17.89 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 -1.32 0.56 0.00 0.00 5.12 -1.26 -4.22 116.66 115.54 2jsc n ARG 13 Ca 0.12 0.56 0.00 0.00 -1.93 0.00 0.00 57.85 56.60 2jsc n ARG 13 Cb 0.24 -1.73 0.00 0.00 -1.16 0.00 0.00 32.46 29.81 2jsc n ARG 13 CO 0.00 0.00 0.00 -0.11 -1.93 0.00 0.00 177.63 175.59 2jsc n LEU 14 N -4.43 0.00 -0.03 0.55 -0.00 -1.14 -1.90 117.00 110.06 2jsc n LEU 14 Ca -0.32 0.91 0.14 0.00 -0.00 0.00 0.00 56.01 56.73 2jsc n LEU 14 Cb 0.67 -0.41 0.56 0.00 -0.00 0.00 0.00 43.42 44.25 2jsc n LEU 14 CO 0.17 -0.41 0.85 0.61 -0.00 0.00 0.00 177.39 178.61 2jsc n GLY 15 N -0.98 -1.29 0.13 -3.96 0.00 -0.91 -0.67 105.19 97.51 2jsc n GLY 15 Ca 0.00 -0.20 -0.15 0.00 0.00 0.00 0.00 46.02 45.67 2jsc n GLY 15 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 2jsc h ARG 16 N 0.13 0.35 0.00 1.61 1.12 -1.70 -1.60 114.38 114.29 2jsc h ARG 16 Ca 0.00 -0.28 -0.05 0.00 -1.11 0.00 0.00 59.98 58.53 2jsc h ARG 16 Cb 0.44 0.06 -0.01 0.00 -0.01 0.00 0.00 29.97 30.45 2jsc h ARG 16 CO 0.00 0.93 -0.26 0.00 -3.11 0.00 0.00 179.97 177.53 2jsc h ALA 17 N 0.43 0.91 0.12 2.80 0.00 -1.08 -3.31 119.26 119.14 2jsc h ALA 17 Ca -0.02 -0.24 -0.28 0.00 0.00 0.00 0.00 54.91 54.37 2jsc h ALA 17 Cb 0.99 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.74 2jsc h ALA 17 CO 0.07 0.32 -1.28 1.25 0.00 0.00 0.00 179.25 179.61 2jsc h LEU 18 N 0.00 0.41 -6.83 0.00 5.85 -0.93 -3.35 115.31 110.46 2jsc h LEU 18 Ca -0.00 -0.45 -0.76 0.00 0.84 0.00 0.00 57.88 57.51 2jsc h LEU 18 Cb 0.96 -0.13 -0.31 0.00 0.37 0.00 0.00 40.66 41.55 2jsc h LEU 18 CO 0.03 1.36 0.43 0.00 -0.34 0.00 0.00 178.44 179.92 2jsc n ALA 19 N -2.55 4.82 -2.69 1.25 0.00 -0.60 -4.24 120.51 116.49 2jsc n ALA 19 Ca -0.09 -4.78 -0.18 0.00 0.00 0.00 0.00 53.44 48.38 2jsc n ALA 19 Cb 1.03 -2.02 -0.14 0.00 0.00 0.00 0.00 19.45 18.31 2jsc n ALA 19 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 2jsc s ASP 20 N -1.64 1.21 0.03 0.00 -1.08 -1.24 -4.83 116.67 109.12 2jsc s ASP 20 Ca 0.33 -0.31 -0.06 0.00 -0.52 0.00 0.00 52.55 51.99 2jsc s ASP 20 Cb 0.05 -0.09 -0.01 0.00 -1.46 0.00 0.00 42.92 41.41 2jsc s ASP 20 CO 0.06 0.04 1.10 1.55 0.52 0.00 0.00 175.17 178.44 2jsc h PRO 21 N 5.42 -0.01 0.07 4.34 0.13 -1.94 -0.92 132.00 139.09 2jsc h PRO 21 Ca -0.34 0.00 -0.26 0.00 -0.87 0.00 0.00 66.00 64.53 2jsc h PRO 21 Cb 1.18 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.30 2jsc h PRO 21 CO 0.47 -0.01 -1.28 1.79 -0.23 0.00 0.00 178.00 178.74 2jsc h THR 22 N -0.01 1.42 -0.44 1.56 1.35 -1.99 -3.32 112.91 111.48 2jsc h THR 22 Ca 0.03 -3.09 -0.11 0.00 -0.55 0.00 0.00 66.41 62.69 2jsc h THR 22 Cb 0.08 2.81 -0.01 0.00 -1.73 0.00 0.00 68.15 69.29 2jsc h THR 22 CO -0.16 0.86 -0.14 0.03 -0.25 0.00 0.00 175.52 175.86 2jsc h ARG 23 N 0.04 0.88 -0.79 4.72 3.08 -1.81 0.24 114.38 120.73 2jsc h ARG 23 Ca -0.13 -0.35 0.09 0.00 0.07 0.00 0.00 59.98 59.65 2jsc h ARG 23 Cb 1.92 -0.04 -0.07 0.00 0.08 0.00 0.00 29.97 31.86 2jsc h ARG 23 CO 0.15 0.99 0.45 0.00 -1.07 0.00 0.00 179.97 180.50 2jsc h ARG 25 N 0.77 0.61 0.14 0.00 9.65 -1.50 -1.96 114.38 122.09 2jsc h ARG 25 Ca 0.38 -0.08 0.02 0.00 -1.10 0.00 0.00 59.98 59.20 2jsc h ARG 25 Cb 0.32 -0.12 -0.04 0.00 -1.39 0.00 0.00 29.97 28.75 2jsc h ARG 25 CO -0.23 0.50 -0.37 0.82 2.80 0.00 0.00 179.97 183.49 2jsc h ILE 26 N 0.56 0.24 -0.84 1.20 2.04 0.04 -1.95 117.51 118.80 2jsc h ILE 26 Ca 0.15 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 65.99 2jsc h ILE 26 Cb 0.08 0.24 -0.04 0.00 -0.74 0.00 0.00 36.82 36.36 2jsc h ILE 26 CO -0.02 0.00 0.45 -0.07 0.00 0.00 0.00 178.15 178.51 2jsc h LEU 27 N -0.61 1.05 -0.59 1.44 3.38 -0.84 0.24 115.31 119.37 2jsc h LEU 27 Ca 0.02 -0.10 -0.15 0.00 0.09 0.00 0.00 57.88 57.74 2jsc h LEU 27 Cb 0.63 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 41.10 2jsc h LEU 27 CO -0.20 0.85 -0.70 1.62 0.09 0.00 0.00 178.44 180.09 2jsc h VAL 28 N 1.17 1.50 0.00 1.22 3.04 -1.37 -3.17 116.25 118.63 2jsc h VAL 28 Ca 0.29 -2.39 -0.07 0.00 -1.01 0.00 0.00 66.70 63.52 2jsc h VAL 28 Cb 0.04 2.29 -0.01 0.00 -2.01 0.00 0.00 31.29 31.59 2jsc h VAL 28 CO -0.05 0.68 -0.35 0.00 -1.01 0.00 0.00 177.57 176.84 2jsc h ALA 29 N 1.28 0.80 -0.46 3.17 0.00 -0.64 -3.25 119.26 120.17 2jsc h ALA 29 Ca -0.01 -0.32 -0.03 0.00 0.00 0.00 0.00 54.91 54.55 2jsc h ALA 29 Cb 1.25 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.96 2jsc h ALA 29 CO 0.09 0.44 0.18 1.25 0.00 0.00 0.00 179.25 181.21 2jsc h LEU 30 N 0.00 0.64 -0.64 0.00 5.85 -0.53 -2.81 115.31 117.81 2jsc h LEU 30 Ca -0.00 -0.17 0.13 0.00 0.84 0.00 0.00 57.88 58.68 2jsc h LEU 30 Cb 1.18 -0.17 -0.12 0.00 0.37 0.00 0.00 40.66 41.93 2jsc h LEU 30 CO 0.05 0.64 -0.08 0.25 -0.34 0.00 0.00 178.44 178.95 2jsc h LEU 31 N 0.60 -0.45 -2.28 2.25 6.46 -1.58 0.91 115.31 121.21 2jsc h LEU 31 Ca 0.15 0.18 0.00 0.00 -0.12 0.00 0.00 57.88 58.09 2jsc h LEU 31 Cb 0.20 0.35 0.00 0.00 -0.73 0.00 0.00 40.66 40.48 2jsc h LEU 31 CO -0.01 -0.18 0.00 0.47 -0.62 0.00 0.00 178.44 178.10 2jsc n ASP 32 N -5.37 3.43 0.00 1.25 9.92 -1.21 -4.72 116.55 119.85 2jsc n ASP 32 Ca 0.09 -2.29 0.00 0.00 -0.53 0.00 0.00 54.79 52.06 2jsc n ASP 32 Cb 0.36 -0.47 0.00 0.00 -0.64 0.00 0.00 41.12 40.37 2jsc n ASP 32 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2jsc n GLY 33 N 0.90 0.26 2.55 0.44 0.00 -0.48 -5.02 105.19 103.85 2jsc n GLY 33 Ca 0.18 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.17 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 -0.42 -0.07 0.00 1.61 0.24 0.19 -4.90 118.33 114.98 2jsc n VAL 34 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.30 2jsc n VAL 34 Cb 0.00 -0.22 0.00 0.00 -1.47 0.00 0.00 33.84 32.15 2jsc n VAL 34 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2jsc s TYR 36 N 0.00 1.03 -0.01 0.00 2.02 -1.26 -4.17 117.35 114.96 2jsc s TYR 36 Ca 0.00 -0.96 -0.35 0.00 -0.37 0.00 0.00 57.07 55.39 2jsc s TYR 36 Cb 0.00 -0.59 -0.13 0.00 -0.40 0.00 0.00 41.96 40.84 2jsc s TYR 36 CO 0.00 -0.18 1.73 -0.35 -1.57 0.00 0.00 175.55 175.18 2jsc n PRO 37 N -0.13 2.01 -0.99 -1.71 -0.04 -1.25 -1.57 135.00 131.32 2jsc n PRO 37 Ca -0.10 0.73 0.00 0.00 -0.04 0.00 0.00 63.50 64.10 2jsc n PRO 37 Cb 0.62 -2.52 0.00 0.00 -0.04 0.00 0.00 33.50 31.56 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 3.92 0.81 0.25 0.55 0.00 -1.26 -4.89 105.19 104.57 2jsc n GLY 38 Ca 0.21 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.29 2jsc n GLY 38 CO 0.00 0.00 0.00 0.06 0.00 0.00 0.00 173.32 173.38 2jsc h GLN 39 N 2.27 0.07 -0.01 1.61 -0.00 -1.70 -1.78 115.11 115.57 2jsc h GLN 39 Ca 0.00 -0.01 0.00 0.00 -0.00 0.00 0.00 58.65 58.64 2jsc h GLN 39 Cb 0.01 -0.01 -0.00 0.00 -0.00 0.00 0.00 27.48 27.48 2jsc h GLN 39 CO 0.00 0.12 0.32 -0.07 -0.00 0.00 0.00 178.83 179.20 2jsc h LEU 40 N 0.07 0.00 -1.42 0.06 3.38 -1.90 -1.49 115.31 114.01 2jsc h LEU 40 Ca 0.02 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.97 2jsc h LEU 40 Cb 0.13 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.85 2jsc h LEU 40 CO 0.01 0.00 0.22 0.00 0.09 0.00 0.00 178.44 178.76 2jsc h ALA 41 N 1.37 1.56 -0.07 1.53 0.00 -1.51 -1.01 119.26 121.13 2jsc h ALA 41 Ca 0.00 -0.09 -0.10 0.00 0.00 0.00 0.00 54.91 54.73 2jsc h ALA 41 Cb 0.64 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.25 2jsc h ALA 41 CO -0.00 0.36 -0.34 0.00 0.00 0.00 0.00 179.25 179.27 2jsc h ALA 42 N 1.63 0.13 -0.24 0.00 0.00 -1.48 -1.51 119.26 117.79 2jsc h ALA 42 Ca 0.16 -0.45 0.00 0.00 0.00 0.00 0.00 54.91 54.62 2jsc h ALA 42 Cb 0.06 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 2jsc h ALA 42 CO -0.02 0.21 0.15 0.45 0.00 0.00 0.00 179.25 180.03 2jsc h HIS 43 N -0.14 0.31 0.00 0.00 -0.00 -1.55 -3.23 115.15 110.53 2jsc h HIS 43 Ca -0.02 0.01 -0.00 0.00 -0.00 0.00 0.00 60.37 60.35 2jsc h HIS 43 Cb 0.99 -0.10 -0.00 0.00 -0.00 0.00 0.00 27.41 28.30 2jsc h HIS 43 CO 0.13 0.20 -1.84 1.28 -0.00 0.00 0.00 177.93 177.70 2jsc n LEU 44 N -4.49 0.00 0.00 2.43 4.77 -0.41 -5.00 117.00 114.30 2jsc n LEU 44 Ca 0.01 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.99 2jsc n LEU 44 Cb 0.08 0.01 0.00 0.00 -2.33 0.00 0.00 43.42 41.18 2jsc n LEU 44 CO 0.35 0.01 0.00 0.61 -1.33 0.00 0.00 177.39 177.03 2jsc n GLY 45 N 1.47 0.41 3.69 -0.72 0.00 -0.57 -5.03 105.19 104.45 2jsc n GLY 45 Ca -0.04 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.69 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 3.48 0.53 0.99 1.43 -1.19 -5.03 118.68 118.89 2jsc s LEU 46 Ca 0.00 -0.18 -0.22 0.00 -1.03 0.00 0.00 54.13 52.69 2jsc s LEU 46 Cb 0.00 -2.20 -0.05 0.00 0.03 0.00 0.00 46.19 43.97 2jsc s LEU 46 CO 0.00 0.16 1.37 0.42 0.23 0.00 0.00 176.35 178.53 2jsc s THR 47 N -1.36 2.10 0.44 5.49 -4.23 -1.26 -4.31 115.64 112.51 2jsc s THR 47 Ca 0.26 0.08 0.10 0.00 -1.18 0.00 0.00 61.69 60.95 2jsc s THR 47 Cb -0.11 -3.04 0.28 0.00 1.34 0.00 0.00 72.50 70.96 2jsc s THR 47 CO 0.19 0.00 2.07 0.08 -0.54 0.00 0.00 174.62 176.42 2jsc h ARG 48 N 1.63 0.37 0.38 3.99 0.11 -1.92 0.84 114.38 119.78 2jsc h ARG 48 Ca -0.51 -0.02 -0.02 0.00 0.10 0.00 0.00 59.98 59.53 2jsc h ARG 48 Cb 1.29 -0.08 0.00 0.00 1.11 0.00 0.00 29.97 32.29 2jsc h ARG 48 CO 0.58 0.25 -0.18 0.77 0.10 0.00 0.00 179.97 181.49 2jsc h SER 49 N 0.39 -0.43 0.12 0.08 0.02 -1.96 -2.45 113.55 109.30 2jsc h SER 49 Ca 0.13 -0.10 0.02 0.00 -0.84 0.00 0.00 61.79 60.99 2jsc h SER 49 Cb 0.03 0.11 -0.03 0.00 0.14 0.00 0.00 62.40 62.65 2jsc h SER 49 CO -0.03 -0.13 -0.24 -1.13 -1.14 0.00 0.00 176.83 174.16 2jsc h ASN 50 N -0.74 -0.68 -1.00 3.07 -0.73 -1.64 -1.15 115.58 112.72 2jsc h ASN 50 Ca -0.05 0.08 0.04 0.00 1.87 0.00 0.00 56.30 58.24 2jsc h ASN 50 Cb 0.51 0.26 -0.06 0.00 0.27 0.00 0.00 38.32 39.30 2jsc h ASN 50 CO 0.09 -0.33 0.65 0.58 -0.37 0.00 0.00 177.43 178.05 2jsc h VAL 51 N -0.44 1.16 0.00 2.57 2.07 -1.00 -2.69 116.25 117.91 2jsc h VAL 51 Ca 0.03 -0.43 -0.10 0.00 0.82 0.00 0.00 66.70 67.02 2jsc h VAL 51 Cb 0.47 -0.20 -0.01 0.00 -1.52 0.00 0.00 31.29 30.02 2jsc h VAL 51 CO -0.14 0.23 -0.49 0.28 0.02 0.00 0.00 177.57 177.47 2jsc h SER 52 N 1.25 0.00 -0.68 0.57 0.02 -0.86 -3.05 113.55 110.79 2jsc h SER 52 Ca 0.40 0.00 0.15 0.00 -0.84 0.00 0.00 61.79 61.50 2jsc h SER 52 Cb 0.04 0.00 -0.11 0.00 0.14 0.00 0.00 62.40 62.47 2jsc h SER 52 CO -0.14 0.49 0.09 -1.13 -1.14 0.00 0.00 176.83 175.01 2jsc h ASN 53 N 0.00 -0.13 0.34 3.07 -1.24 -0.88 -0.66 115.58 116.08 2jsc h ASN 53 Ca -0.00 0.15 -0.04 0.00 0.71 0.00 0.00 56.30 57.12 2jsc h ASN 53 Cb 0.95 0.23 -0.01 0.00 0.73 0.00 0.00 38.32 40.23 2jsc h ASN 53 CO 0.06 -0.07 -0.19 0.45 -1.29 0.00 0.00 177.43 176.39 2jsc h HIS 54 N 0.20 0.00 -0.05 0.67 -0.00 -1.62 -2.32 115.15 112.02 2jsc h HIS 54 Ca 0.37 0.00 -0.08 0.00 -0.00 0.00 0.00 60.37 60.66 2jsc h HIS 54 Cb 0.62 0.00 -0.01 0.00 -0.00 0.00 0.00 27.41 28.02 2jsc h HIS 54 CO -0.31 0.19 -0.35 -0.07 -0.00 0.00 0.00 177.93 177.38 2jsc h LEU 55 N 0.00 0.11 0.00 2.43 3.38 -1.20 -2.36 115.31 117.66 2jsc h LEU 55 Ca -0.00 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 57.93 2jsc h LEU 55 Cb 0.41 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.13 2jsc h LEU 55 CO 0.02 0.46 0.00 -1.20 0.09 0.00 0.00 178.44 177.81 2jsc n SER 56 N -4.10 0.00 -0.13 -0.43 7.64 -0.87 -1.79 113.62 113.93 2jsc n SER 56 Ca -0.02 0.38 -0.26 0.00 1.01 0.00 0.00 58.87 59.98 2jsc n SER 56 Cb 0.41 -0.40 -0.11 0.00 -1.01 0.00 0.00 64.21 63.10 2jsc n SER 56 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2jsc h LEU 58 N -0.67 0.66 -0.41 0.00 5.85 -1.00 -0.77 115.31 118.98 2jsc h LEU 58 Ca -0.64 -0.00 -0.11 0.00 0.84 0.00 0.00 57.88 57.96 2jsc h LEU 58 Cb 1.70 -0.15 -0.01 0.00 0.37 0.00 0.00 40.66 42.57 2jsc h LEU 58 CO -0.30 0.44 -0.18 0.03 -0.34 0.00 0.00 178.44 178.09 2jsc h ARG 59 N 0.76 0.84 -0.11 1.25 3.08 -1.60 -1.60 114.38 117.00 2jsc h ARG 59 Ca 0.28 -0.36 -0.19 0.00 0.07 0.00 0.00 59.98 59.78 2jsc h ARG 59 Cb 0.16 -0.03 -0.00 0.00 0.08 0.00 0.00 29.97 30.18 2jsc h ARG 59 CO -0.09 0.99 -0.72 0.78 -1.07 0.00 0.00 179.97 179.86 2jsc h GLY 60 N 0.65 0.60 1.29 0.04 0.00 -1.54 -1.83 103.07 102.28 2jsc h GLY 60 Ca 0.09 -0.83 0.00 0.00 0.00 0.00 0.00 47.33 46.60 2jsc h GLY 60 CO 0.06 0.74 0.00 0.00 0.00 0.00 0.00 176.54 177.33 2jsc n GLY 62 N -0.31 1.96 0.25 0.00 0.00 -0.69 -4.58 105.19 101.82 2jsc n GLY 62 Ca 0.07 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.23 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 -8.12 0.99 3.38 -1.50 -3.41 115.31 106.66 2jsc h LEU 63 Ca 0.00 0.00 -0.34 0.00 0.09 0.00 0.00 57.88 57.63 2jsc h LEU 63 Cb 0.00 0.00 -0.25 0.00 0.09 0.00 0.00 40.66 40.50 2jsc h LEU 63 CO 0.00 0.05 -0.76 0.68 0.09 0.00 0.00 178.44 178.50 2jsc s VAL 64 N -3.49 0.66 -0.02 1.22 -7.23 -1.15 -1.20 120.40 109.18 2jsc s VAL 64 Ca 0.03 -0.74 0.05 0.00 -1.81 0.00 0.00 61.98 59.51 2jsc s VAL 64 Cb 0.08 -0.63 -0.01 0.00 0.56 0.00 0.00 36.38 36.38 2jsc s VAL 64 CO 0.60 -0.08 -0.16 -0.69 -0.31 0.00 0.00 175.10 174.46 2jsc s VAL 65 N -0.76 1.31 -0.01 1.32 1.01 0.36 -4.30 120.40 119.33 2jsc s VAL 65 Ca -0.02 -0.69 -0.19 0.00 0.00 0.00 0.00 61.98 61.09 2jsc s VAL 65 Cb -0.06 -1.10 -0.05 0.00 0.00 0.00 0.00 36.38 35.16 2jsc s VAL 65 CO 0.00 0.37 0.53 0.00 0.00 0.00 0.00 175.10 176.00 2jsc s ALA 66 N -0.23 3.55 0.45 5.51 0.00 -1.26 -1.09 121.76 128.69 2jsc s ALA 66 Ca 0.03 -0.07 0.03 0.00 0.00 0.00 0.00 51.96 51.95 2jsc s ALA 66 Cb -0.08 -2.62 -0.01 0.00 0.00 0.00 0.00 23.12 20.40 2jsc s ALA 66 CO 0.00 0.25 0.11 0.99 0.00 0.00 0.00 175.76 177.12 2jsc s THR 67 N -0.41 0.61 0.09 0.00 2.01 -0.77 -4.97 115.64 112.20 2jsc s THR 67 Ca 0.28 -2.00 0.10 0.00 0.31 0.00 0.00 61.69 60.38 2jsc s THR 67 Cb -0.18 -2.21 -0.04 0.00 0.01 0.00 0.00 72.50 70.09 2jsc s THR 67 CO 0.15 0.00 -0.25 -0.47 -0.69 0.00 0.00 174.62 173.36 2jsc s TYR 68 N -3.11 2.36 0.00 4.92 5.04 -1.26 -0.97 117.35 124.33 2jsc s TYR 68 Ca 0.17 -0.37 0.00 0.00 -2.44 0.00 0.00 57.07 54.43 2jsc s TYR 68 Cb 0.01 -1.32 0.00 0.00 0.35 0.00 0.00 41.96 41.00 2jsc s TYR 68 CO 0.12 0.27 0.00 -0.85 -1.34 0.00 0.00 175.55 173.75 2jsc n GLU 69 N 1.22 3.89 0.23 4.97 -0.00 0.34 -4.87 120.64 126.43 2jsc n GLU 69 Ca -0.17 0.00 0.16 0.00 -0.00 0.00 0.00 57.16 57.14 2jsc n GLU 69 Cb 0.53 0.00 0.62 0.00 -0.00 0.00 0.00 31.44 32.59 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 -2.01 -3.39 103.07 95.83 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 -2.83 2.66 -4.06 4.80 5.12 -1.26 -5.17 116.66 115.92 2jsc n ARG 71 Ca 0.01 0.00 -0.16 0.00 -1.93 0.00 0.00 57.85 55.78 2jsc n ARG 71 Cb 0.29 -0.22 -0.04 0.00 -1.16 0.00 0.00 32.46 31.33 2jsc n ARG 71 CO 0.00 0.00 0.00 0.94 -1.93 0.00 0.00 177.63 176.64 2jsc n GLN 72 N 0.00 0.68 -3.05 5.56 -0.06 -1.26 -5.17 117.38 114.08 2jsc n GLN 72 Ca 0.00 -2.93 -0.33 0.00 -2.00 0.00 0.00 57.00 51.74 2jsc n GLN 72 Cb 0.00 2.76 -0.06 0.00 -4.06 0.00 0.00 30.24 28.88 2jsc n GLN 72 CO 0.00 0.00 0.00 0.14 -0.20 0.00 0.00 177.06 177.00 2jsc s VAL 73 N -2.89 4.59 0.35 1.69 -7.23 -1.26 -0.50 120.40 115.14 2jsc s VAL 73 Ca 0.31 1.13 0.04 0.00 -1.81 0.00 0.00 61.98 61.66 2jsc s VAL 73 Cb -0.01 -3.65 -0.06 0.00 0.56 0.00 0.00 36.38 33.22 2jsc s VAL 73 CO 0.22 -0.16 0.05 0.00 -0.31 0.00 0.00 175.10 174.91 2jsc s ARG 74 N -2.88 1.74 -0.10 4.82 1.70 -0.14 -3.96 118.95 120.13 2jsc s ARG 74 Ca 0.54 -1.98 0.01 0.00 -0.47 0.00 0.00 55.73 53.83 2jsc s ARG 74 Cb -0.11 -0.99 0.02 0.00 -0.57 0.00 0.00 34.95 33.29 2jsc s ARG 74 CO 0.17 -0.19 -0.12 0.71 -1.08 0.00 0.00 175.30 174.78 2jsc s TYR 75 N -3.18 1.71 0.12 5.89 2.02 -1.26 -1.85 117.35 120.79 2jsc s TYR 75 Ca 0.34 -0.78 0.06 0.00 -0.37 0.00 0.00 57.07 56.33 2jsc s TYR 75 Cb 0.08 -1.28 -0.04 0.00 -0.40 0.00 0.00 41.96 40.33 2jsc s TYR 75 CO 0.15 -0.43 -0.15 0.00 -1.57 0.00 0.00 175.55 173.55 2jsc s ALA 76 N 1.08 1.54 0.69 3.71 0.00 -0.25 -4.34 121.76 124.19 2jsc s ALA 76 Ca -0.06 -1.28 -0.17 0.00 0.00 0.00 0.00 51.96 50.46 2jsc s ALA 76 Cb -0.15 -0.10 0.00 0.00 0.00 0.00 0.00 23.12 22.88 2jsc s ALA 76 CO -0.02 0.14 1.15 1.28 0.00 0.00 0.00 175.76 178.32 2jsc n LEU 77 N 0.64 4.86 -0.32 0.00 4.77 -1.26 -0.48 117.00 125.20 2jsc n LEU 77 Ca -0.16 0.75 0.13 0.00 -0.03 0.00 0.00 56.01 56.70 2jsc n LEU 77 Cb 0.56 -1.49 0.31 0.00 -2.33 0.00 0.00 43.42 40.48 2jsc n LEU 77 CO 0.26 -1.48 1.09 0.00 -1.33 0.00 0.00 177.39 175.93 2jsc h ALA 78 N 0.09 1.50 -1.94 -1.18 0.00 -1.38 -3.42 119.26 112.94 2jsc h ALA 78 Ca -0.49 0.13 0.22 0.00 0.00 0.00 0.00 54.91 54.77 2jsc h ALA 78 Cb 1.34 0.07 -0.12 0.00 0.00 0.00 0.00 17.79 19.08 2jsc h ALA 78 CO 0.50 -0.26 0.63 0.34 0.00 0.00 0.00 179.25 180.46 2jsc s ASP 79 N -5.24 -0.17 0.33 0.00 2.15 -1.26 -4.90 116.67 107.58 2jsc s ASP 79 Ca -0.11 -0.18 0.22 0.00 0.43 0.00 0.00 52.55 52.90 2jsc s ASP 79 Cb 0.25 0.32 1.16 0.00 -0.30 0.00 0.00 42.92 44.35 2jsc s ASP 79 CO 0.78 -0.57 1.28 -1.20 -0.17 0.00 0.00 175.17 175.29 2jsc n SER 80 N -0.37 0.23 -0.22 -0.34 7.64 -1.26 -1.43 113.62 117.86 2jsc n SER 80 Ca -0.06 1.24 -0.13 0.00 1.01 0.00 0.00 58.87 60.93 2jsc n SER 80 Cb 0.61 -0.61 -0.10 0.00 -1.01 0.00 0.00 64.21 63.11 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 -1.75 0.02 1.43 3.86 -1.98 0.94 115.15 117.66 2jsc h HIS 81 Ca 0.71 0.10 -0.23 0.00 -1.16 0.00 0.00 60.37 59.79 2jsc h HIS 81 Cb 2.08 0.84 -0.00 0.00 1.06 0.00 0.00 27.41 31.39 2jsc h HIS 81 CO -0.01 -0.45 -0.97 -0.07 0.86 0.00 0.00 177.93 177.29 2jsc h LEU 82 N -0.28 0.45 -1.66 2.43 3.38 -1.66 -2.68 115.31 115.30 2jsc h LEU 82 Ca 0.10 -0.38 -0.01 0.00 0.09 0.00 0.00 57.88 57.67 2jsc h LEU 82 Cb 0.54 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.14 2jsc h LEU 82 CO -0.69 1.19 0.08 0.00 0.09 0.00 0.00 178.44 179.12 2jsc h ALA 83 N 0.77 1.73 0.12 1.53 0.00 -1.35 -0.53 119.26 121.54 2jsc h ALA 83 Ca -0.08 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.76 2jsc h ALA 83 Cb 1.62 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 19.31 2jsc h ALA 83 CO 0.16 0.22 -0.06 -0.09 0.00 0.00 0.00 179.25 179.48 2jsc h ARG 84 N 0.31 -0.16 -0.41 0.00 9.65 -0.80 -2.42 114.38 120.56 2jsc h ARG 84 Ca 0.08 0.01 -0.02 0.00 -1.10 0.00 0.00 59.98 58.95 2jsc h ARG 84 Cb 0.07 0.04 -0.02 0.00 -1.39 0.00 0.00 29.97 28.67 2jsc h ARG 84 CO -0.01 -0.07 0.16 0.00 2.80 0.00 0.00 179.97 182.86 2jsc h ALA 85 N -0.99 1.53 -0.21 2.80 0.00 -1.46 0.15 119.26 121.07 2jsc h ALA 85 Ca -0.02 -0.11 -0.04 0.00 0.00 0.00 0.00 54.91 54.75 2jsc h ALA 85 Cb 0.17 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 2jsc h ALA 85 CO 0.03 0.37 -0.01 1.25 0.00 0.00 0.00 179.25 180.89 2jsc h LEU 86 N 0.57 0.38 -0.14 0.00 6.46 -1.26 -3.31 115.31 118.01 2jsc h LEU 86 Ca 0.14 -0.32 0.00 0.00 -0.12 0.00 0.00 57.88 57.58 2jsc h LEU 86 Cb 0.11 -0.10 0.00 0.00 -0.73 0.00 0.00 40.66 39.94 2jsc h LEU 86 CO -0.01 0.61 0.00 0.61 -0.62 0.00 0.00 178.44 179.03 2jsc n GLY 87 N -0.27 -1.11 0.25 3.75 0.00 0.14 -1.59 105.19 106.36 2jsc n GLY 87 Ca -0.04 -0.03 -0.15 0.00 0.00 0.00 0.00 46.02 45.80 2jsc n GLY 87 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2jsc h GLU 88 N 0.00 0.89 -0.79 1.61 4.39 -0.92 -3.49 114.58 116.27 2jsc h GLU 88 Ca 0.00 -0.55 0.00 0.00 0.34 0.00 0.00 59.36 59.15 2jsc h GLU 88 Cb 0.30 0.06 0.00 0.00 -0.10 0.00 0.00 28.75 29.01 2jsc h GLU 88 CO 0.00 1.19 0.00 -0.11 -1.16 0.00 0.00 179.01 178.93 2jsc n LEU 89 N -4.02 -0.91 0.00 1.33 7.94 -0.62 -4.90 117.00 115.82 2jsc n LEU 89 Ca -0.04 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.86 2jsc n LEU 89 Cb 0.62 -0.45 0.00 0.00 0.53 0.00 0.00 43.42 44.11 2jsc n LEU 89 CO 0.50 0.00 0.15 1.33 -1.11 0.00 0.00 177.39 178.26 2jsc n VAL 90 N 1.64 0.00 0.00 1.96 0.24 -1.26 -4.78 118.33 116.13 2jsc n VAL 90 Ca 0.00 0.15 0.00 0.00 -2.04 0.00 0.00 64.34 62.45 2jsc n VAL 90 Cb 0.00 -1.12 0.00 0.00 -1.47 0.00 0.00 33.84 31.25 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 -0.64 0.00 0.00 7.34 1.13 -1.26 -4.81 117.38 119.14 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 0.15 -0.27 0.00 0.00 0.11 0.00 0.00 30.24 30.23 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 -0.23 0.00 -0.92 5.09 3.14 -1.26 -4.55 118.33 119.59 2jsc n VAL 92 Ca 0.00 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.38 2jsc n VAL 92 Cb 0.00 -0.73 0.00 0.00 -1.06 0.00 0.00 33.84 32.05 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 1.48 0.00 -0.95 1.55 0.31 -1.26 -3.79 118.33 115.68 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 -0.23 0.00 0.00 -0.91 0.00 0.00 33.84 32.70 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 -1.49 -4.67 7.52 0.00 -1.26 -4.99 117.00 112.11 2jsc n LEU 94 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 56.01 55.59 2jsc n LEU 94 Cb 0.08 -0.74 -0.03 0.00 0.00 0.00 0.00 43.42 42.72 2jsc n LEU 94 CO 0.00 0.00 1.56 0.00 0.00 0.00 0.00 177.39 178.95 2jsc n ALA 95 N 0.49 1.90 -2.38 1.96 0.00 -1.25 -5.00 120.51 116.23 2jsc n ALA 95 Ca 0.00 0.26 -0.16 0.00 0.00 0.00 0.00 53.44 53.53 2jsc n ALA 95 Cb 0.00 -2.65 -0.11 0.00 0.00 0.00 0.00 19.45 16.69 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 3.70 1.32 -0.01 0.00 1.01 -1.26 -5.00 120.40 120.15 2jsc s VAL 96 Ca 0.86 -1.92 -0.34 0.00 0.00 0.00 0.00 61.98 60.57 2jsc s VAL 96 Cb -0.45 -1.72 -0.13 0.00 0.00 0.00 0.00 36.38 34.08 2jsc s VAL 96 CO 0.40 -0.57 1.76 0.47 0.00 0.00 0.00 175.10 177.15 2jsc n ASP 97 N 0.12 3.21 -3.73 3.32 9.92 -1.26 -4.96 116.55 123.17 2jsc n ASP 97 Ca -0.12 1.02 -0.14 0.00 -0.53 0.00 0.00 54.79 55.02 2jsc n ASP 97 Cb 0.59 -1.37 -0.09 0.00 -0.64 0.00 0.00 41.12 39.61 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 2.92 0.03 -1.38 -3.53 -4.23 -1.26 -5.09 115.64 103.10 2jsc s THR 98 Ca 0.88 -0.21 -0.10 0.00 -1.18 0.00 0.00 61.69 61.08 2jsc s THR 98 Cb -0.72 -0.62 0.09 0.00 1.34 0.00 0.00 72.50 72.60 2jsc s THR 98 CO 0.48 -0.12 2.19 -0.67 -0.54 0.00 0.00 174.62 175.96 2jsc n ASP 99 N 2.00 5.68 -4.26 3.99 2.03 -1.26 -4.93 116.55 119.80 2jsc n ASP 99 Ca -0.17 -2.98 -0.31 0.00 0.52 0.00 0.00 54.79 51.85 2jsc n ASP 99 Cb 0.57 -1.52 -0.16 0.00 -0.72 0.00 0.00 41.12 39.29 2jsc n ASP 99 CO 0.00 0.00 0.00 -1.10 -1.92 0.00 0.00 177.20 174.18 2jsc s GLN 100 N 1.09 2.32 0.00 -0.67 1.11 -1.26 -5.15 119.66 117.10 2jsc s GLN 100 Ca 0.47 -0.87 0.00 0.00 0.01 0.00 0.00 55.36 54.97 2jsc s GLN 100 Cb 0.13 -2.04 0.00 0.00 -1.01 0.00 0.00 33.01 30.09 2jsc s GLN 100 CO -0.04 0.41 0.00 -0.35 0.01 0.00 0.00 175.29 175.32 2jsc n PRO 101 N 2.82 0.72 -3.78 2.91 -0.04 -1.26 -5.15 135.00 131.22 2jsc n PRO 101 Ca -0.17 0.00 -0.20 0.00 -0.04 0.00 0.00 63.50 63.09 2jsc n PRO 101 Cb 0.52 0.00 -0.05 0.00 -0.04 0.00 0.00 33.50 33.93 2jsc n PRO 101 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2jsc n VAL 103 N -0.74 -4.68 -2.07 0.00 0.31 -1.26 -4.84 118.33 105.04 2jsc n VAL 103 Ca -0.08 1.56 -0.37 0.00 -0.01 0.00 0.00 64.34 65.44 2jsc n VAL 103 Cb 0.44 -2.71 0.01 0.00 -0.91 0.00 0.00 33.84 30.68 2jsc n VAL 103 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2jsc s ALA 104 N -1.28 2.83 -2.11 3.52 0.00 -1.26 -3.56 121.76 119.90 2jsc s ALA 104 Ca 0.00 1.06 0.00 0.00 0.00 0.00 0.00 51.96 53.02 2jsc s ALA 104 Cb 0.00 -3.45 0.00 0.00 0.00 0.00 0.00 23.12 19.67 2jsc s ALA 104 CO 0.00 -0.97 0.00 0.39 0.00 0.00 0.00 175.76 175.18 2jsc n GLU 105 N -0.90 -1.46 0.00 0.00 4.71 -1.26 -5.33 120.64 116.40 2jsc n GLU 105 Ca 0.10 1.19 0.00 0.00 -0.01 0.00 0.00 57.16 58.43 2jsc n GLU 105 Cb 0.48 -5.57 0.00 0.00 -1.01 0.00 0.00 31.44 25.34 2jsc n GLU 105 CO 0.00 0.00 0.00 0.54 0.09 0.00 0.00 177.13 177.76