#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 0.36 -0.32 0.00 8.10 -2.05 -1.88 115.31 119.52 2jsc h LEU 11 Ca 0.00 -0.12 0.00 0.00 0.11 0.00 0.00 57.88 57.87 2jsc h LEU 11 Cb 0.00 -0.10 -0.02 0.00 -0.44 0.00 0.00 40.66 40.11 2jsc h LEU 11 CO 0.00 0.63 0.20 0.00 -4.11 0.00 0.00 178.44 175.16 2jsc h ALA 12 N 1.40 0.40 -0.85 0.17 0.00 -2.04 -0.99 119.26 117.34 2jsc h ALA 12 Ca 0.05 -0.04 0.03 0.00 0.00 0.00 0.00 54.91 54.95 2jsc h ALA 12 Cb 0.65 -0.13 -0.05 0.00 0.00 0.00 0.00 17.79 18.27 2jsc h ALA 12 CO 0.05 -0.11 0.56 0.00 0.00 0.00 0.00 179.25 179.75 2jsc h ARG 13 N 0.42 1.06 0.63 0.00 3.08 -1.81 0.24 114.38 118.00 2jsc h ARG 13 Ca 0.11 -0.06 -0.03 0.00 0.07 0.00 0.00 59.98 60.07 2jsc h ARG 13 Cb -0.01 -0.24 0.01 0.00 0.08 0.00 0.00 29.97 29.80 2jsc h ARG 13 CO -0.02 0.70 -0.30 1.25 -1.07 0.00 0.00 179.97 180.52 2jsc h LEU 14 N 1.09 -0.72 -1.66 3.04 7.12 -1.01 -3.15 115.31 120.01 2jsc h LEU 14 Ca 0.33 -0.02 -0.01 0.00 0.13 0.00 0.00 57.88 58.31 2jsc h LEU 14 Cb -0.02 0.19 -0.01 0.00 -0.53 0.00 0.00 40.66 40.29 2jsc h LEU 14 CO -0.09 -0.41 0.08 1.23 -0.13 0.00 0.00 178.44 179.12 2jsc h GLY 15 N -1.02 0.32 1.40 3.75 0.00 -1.08 -2.07 103.07 104.38 2jsc h GLY 15 Ca -0.09 -0.14 0.00 0.00 0.00 0.00 0.00 47.33 47.10 2jsc h GLY 15 CO 0.14 0.13 0.00 0.54 0.00 0.00 0.00 176.54 177.36 2jsc n ARG 16 N -4.44 0.24 0.00 4.80 5.12 0.06 -0.40 116.66 122.04 2jsc n ARG 16 Ca 0.00 0.12 0.00 0.00 -1.93 0.00 0.00 57.85 56.04 2jsc n ARG 16 Cb 0.12 -1.50 0.00 0.00 -1.16 0.00 0.00 32.46 29.92 2jsc n ARG 16 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 2jsc n ALA 17 N -1.20 1.17 0.39 7.54 0.00 -1.00 -4.86 120.51 122.55 2jsc n ALA 17 Ca 0.07 0.00 0.10 0.00 0.00 0.00 0.00 53.44 53.61 2jsc n ALA 17 Cb 0.08 0.00 -0.14 0.00 0.00 0.00 0.00 19.45 19.39 2jsc n ALA 17 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2jsc n LEU 18 N -0.76 0.39 -4.17 0.00 4.32 -0.81 -2.55 117.00 113.43 2jsc n LEU 18 Ca 0.00 -0.21 -0.44 0.00 -0.02 0.00 0.00 56.01 55.34 2jsc n LEU 18 Cb 0.00 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 41.80 2jsc n LEU 18 CO 0.00 0.10 1.42 0.00 -1.22 0.00 0.00 177.39 177.69 2jsc n ALA 19 N -1.89 4.65 -3.57 -1.18 0.00 0.46 -4.68 120.51 114.31 2jsc n ALA 19 Ca -0.01 -4.44 -0.14 0.00 0.00 0.00 0.00 53.44 48.86 2jsc n ALA 19 Cb 0.44 -2.80 -0.06 0.00 0.00 0.00 0.00 19.45 17.02 2jsc n ALA 19 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2jsc s ASP 20 N 1.11 -0.53 0.00 0.00 1.01 -1.26 -4.86 116.67 112.14 2jsc s ASP 20 Ca 0.38 0.68 0.00 0.00 0.71 0.00 0.00 52.55 54.31 2jsc s ASP 20 Cb 0.01 0.57 0.00 0.00 1.01 0.00 0.00 42.92 44.51 2jsc s ASP 20 CO 0.01 -0.42 0.00 -0.81 0.21 0.00 0.00 175.17 174.16 2jsc n PRO 21 N 1.15 0.00 -0.34 8.23 -0.04 -1.26 -3.23 135.00 139.51 2jsc n PRO 21 Ca -0.14 0.00 0.26 0.00 -0.04 0.00 0.00 63.50 63.58 2jsc n PRO 21 Cb 0.57 -0.13 0.55 0.00 -0.04 0.00 0.00 33.50 34.46 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 0.46 0.00 0.52 1.35 -1.98 -2.90 112.91 110.36 2jsc h THR 22 Ca 0.00 -0.11 -0.09 0.00 -0.55 0.00 0.00 66.41 65.67 2jsc h THR 22 Cb 0.00 0.12 0.01 0.00 -1.73 0.00 0.00 68.15 66.55 2jsc h THR 22 CO 0.00 0.06 -0.35 -0.09 -0.25 0.00 0.00 175.52 174.89 2jsc h ARG 23 N 0.31 0.23 -0.78 4.72 2.43 -1.84 0.33 114.38 119.79 2jsc h ARG 23 Ca 0.62 -0.25 0.02 0.00 -0.81 0.00 0.00 59.98 59.56 2jsc h ARG 23 Cb 1.73 0.07 -0.04 0.00 -0.42 0.00 0.00 29.97 31.31 2jsc h ARG 23 CO -0.28 0.97 0.50 0.00 -1.51 0.00 0.00 179.97 179.66 2jsc h ARG 25 N 1.00 0.65 -0.04 0.00 9.65 -1.39 -1.11 114.38 123.12 2jsc h ARG 25 Ca 0.30 -0.04 0.03 0.00 -1.10 0.00 0.00 59.98 59.17 2jsc h ARG 25 Cb -0.04 -0.15 -0.03 0.00 -1.39 0.00 0.00 29.97 28.36 2jsc h ARG 25 CO -0.09 0.43 -0.13 0.82 2.80 0.00 0.00 179.97 183.80 2jsc h ILE 26 N 0.67 0.68 -0.99 1.20 2.04 0.51 -0.19 117.51 121.41 2jsc h ILE 26 Ca 0.37 0.00 0.01 0.00 1.00 0.00 0.00 64.86 66.24 2jsc h ILE 26 Cb 0.39 0.68 -0.05 0.00 -0.74 0.00 0.00 36.82 37.09 2jsc h ILE 26 CO -0.27 0.00 0.65 -0.07 0.00 0.00 0.00 178.15 178.46 2jsc h LEU 27 N -0.19 1.15 0.00 1.44 3.38 -0.67 -0.35 115.31 120.07 2jsc h LEU 27 Ca 0.06 -0.04 -0.10 0.00 0.09 0.00 0.00 57.88 57.89 2jsc h LEU 27 Cb 0.27 -0.29 -0.02 0.00 0.09 0.00 0.00 40.66 40.72 2jsc h LEU 27 CO -0.16 0.84 -0.61 1.62 0.09 0.00 0.00 178.44 180.23 2jsc h VAL 28 N 1.35 0.73 -0.01 1.22 3.04 -1.10 -3.19 116.25 118.29 2jsc h VAL 28 Ca 0.36 -2.07 -0.15 0.00 -1.01 0.00 0.00 66.70 63.83 2jsc h VAL 28 Cb -0.14 2.32 -0.02 0.00 -2.01 0.00 0.00 31.29 31.44 2jsc h VAL 28 CO -0.08 0.42 -0.70 0.00 -1.01 0.00 0.00 177.57 176.20 2jsc h ALA 29 N 1.54 0.81 -0.69 3.17 0.00 -0.74 -3.13 119.26 120.22 2jsc h ALA 29 Ca -0.03 -0.62 -0.07 0.00 0.00 0.00 0.00 54.91 54.19 2jsc h ALA 29 Cb 1.37 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 19.04 2jsc h ALA 29 CO 0.06 0.84 0.16 1.25 0.00 0.00 0.00 179.25 181.55 2jsc h LEU 30 N 0.05 1.06 -0.90 0.00 5.85 -1.08 -1.68 115.31 118.60 2jsc h LEU 30 Ca -0.01 -0.23 0.25 0.00 0.84 0.00 0.00 57.88 58.73 2jsc h LEU 30 Cb 1.24 -0.28 -0.15 0.00 0.37 0.00 0.00 40.66 41.84 2jsc h LEU 30 CO 0.10 1.02 0.23 0.25 -0.34 0.00 0.00 178.44 179.70 2jsc h LEU 31 N 1.05 -0.03 0.00 2.25 6.46 -1.53 0.54 115.31 124.05 2jsc h LEU 31 Ca 0.22 0.21 0.00 0.00 -0.12 0.00 0.00 57.88 58.19 2jsc h LEU 31 Cb 0.38 0.29 0.00 0.00 -0.73 0.00 0.00 40.66 40.60 2jsc h LEU 31 CO 0.00 -0.19 -1.75 -0.90 -0.62 0.00 0.00 178.44 174.98 2jsc n ASP 32 N -5.26 0.89 -0.69 1.25 5.75 -1.25 -4.77 116.55 112.46 2jsc n ASP 32 Ca 0.23 -0.06 0.12 0.00 -0.01 0.00 0.00 54.79 55.06 2jsc n ASP 32 Cb 0.73 1.77 0.10 0.00 -1.03 0.00 0.00 41.12 42.69 2jsc n ASP 32 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2jsc n GLY 33 N 1.48 0.44 1.62 6.12 0.00 -0.28 -4.88 105.19 109.68 2jsc n GLY 33 Ca -0.03 -0.64 0.00 0.00 0.00 0.00 0.00 46.02 45.35 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 0.58 0.00 -0.01 1.61 0.24 0.02 -4.40 118.33 116.38 2jsc n VAL 34 Ca 0.12 0.00 -0.01 0.00 -2.04 0.00 0.00 64.34 62.41 2jsc n VAL 34 Cb 0.51 0.00 -0.00 0.00 -1.47 0.00 0.00 33.84 32.88 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 -1.37 -0.00 0.48 0.00 2.02 -1.26 -3.99 117.35 113.22 2jsc s TYR 36 Ca -0.04 -0.27 0.18 0.00 -0.37 0.00 0.00 57.07 56.58 2jsc s TYR 36 Cb 0.01 0.04 1.20 0.00 -0.40 0.00 0.00 41.96 42.80 2jsc s TYR 36 CO 0.06 -0.53 2.00 -1.00 -1.57 0.00 0.00 175.55 174.51 2jsc h PRO 37 N 3.01 0.21 -0.00 -1.71 0.13 -1.90 -0.16 132.00 131.58 2jsc h PRO 37 Ca -0.33 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.79 2jsc h PRO 37 Cb 1.20 -0.05 0.00 0.00 0.13 0.00 0.00 31.00 32.29 2jsc h PRO 37 CO 0.50 0.14 -0.06 0.41 -0.23 0.00 0.00 178.00 178.76 2jsc n GLY 38 N -1.57 -1.36 0.27 1.56 0.00 -1.26 -4.27 105.19 98.57 2jsc n GLY 38 Ca 0.09 -0.15 -0.07 0.00 0.00 0.00 0.00 46.02 45.89 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 0.05 0.81 -0.07 1.61 -0.00 -1.39 -2.40 115.11 113.73 2jsc h GLN 39 Ca 0.00 -0.28 0.02 0.00 -0.00 0.00 0.00 58.65 58.39 2jsc h GLN 39 Cb 0.42 -0.06 -0.00 0.00 -0.00 0.00 0.00 27.48 27.84 2jsc h GLN 39 CO 0.00 0.90 0.09 -0.07 -0.00 0.00 0.00 178.83 179.75 2jsc h LEU 40 N 0.72 0.00 -1.34 0.06 3.38 -1.75 -2.90 115.31 113.49 2jsc h LEU 40 Ca 0.12 0.00 0.11 0.00 0.09 0.00 0.00 57.88 58.20 2jsc h LEU 40 Cb 0.63 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 41.32 2jsc h LEU 40 CO 0.04 0.00 0.53 0.00 0.09 0.00 0.00 178.44 179.11 2jsc h ALA 41 N 1.88 1.79 0.04 1.53 0.00 -1.62 0.10 119.26 122.99 2jsc h ALA 41 Ca 0.03 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.94 2jsc h ALA 41 Cb 0.21 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.85 2jsc h ALA 41 CO -0.00 0.03 -0.02 0.00 0.00 0.00 0.00 179.25 179.26 2jsc h ALA 42 N 1.60 -0.05 -0.75 0.00 0.00 -1.72 -0.93 119.26 117.41 2jsc h ALA 42 Ca 0.39 -0.34 0.17 0.00 0.00 0.00 0.00 54.91 55.13 2jsc h ALA 42 Cb 0.53 0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.29 2jsc h ALA 42 CO -0.16 -0.12 0.51 0.45 0.00 0.00 0.00 179.25 179.94 2jsc h HIS 43 N -0.87 0.33 0.00 0.00 -0.00 -1.46 -1.61 115.15 111.54 2jsc h HIS 43 Ca -0.00 0.01 0.00 0.00 -0.00 0.00 0.00 60.37 60.37 2jsc h HIS 43 Cb 0.70 -0.10 0.00 0.00 -0.00 0.00 0.00 27.41 28.00 2jsc h HIS 43 CO 0.17 0.11 -0.98 1.28 -0.00 0.00 0.00 177.93 178.52 2jsc n LEU 44 N -4.44 0.78 -1.24 2.43 4.77 0.29 -4.99 117.00 114.61 2jsc n LEU 44 Ca 0.15 -0.31 -0.16 0.00 -0.03 0.00 0.00 56.01 55.66 2jsc n LEU 44 Cb 0.63 -0.06 -0.07 0.00 -2.33 0.00 0.00 43.42 41.59 2jsc n LEU 44 CO 0.34 0.18 -0.15 0.61 -1.33 0.00 0.00 177.39 177.04 2jsc n GLY 45 N 1.47 1.58 3.33 -0.72 0.00 -0.61 -4.99 105.19 105.25 2jsc n GLY 45 Ca 0.03 -0.08 -0.27 0.00 0.00 0.00 0.00 46.02 45.70 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 -3.69 2.26 0.34 0.99 1.43 -0.41 -4.99 118.68 114.61 2jsc s LEU 46 Ca 0.00 -0.67 -0.29 0.00 -1.03 0.00 0.00 54.13 52.14 2jsc s LEU 46 Cb 0.00 -1.10 -0.12 0.00 0.03 0.00 0.00 46.19 45.01 2jsc s LEU 46 CO 0.00 0.16 1.49 1.07 0.23 0.00 0.00 176.35 179.29 2jsc n THR 47 N 1.26 1.62 0.30 5.49 5.66 -1.26 -4.32 114.28 123.03 2jsc n THR 47 Ca -0.18 -0.41 0.16 0.00 -3.05 0.00 0.00 64.05 60.57 2jsc n THR 47 Cb 0.53 -1.88 0.93 0.00 -1.55 0.00 0.00 70.33 68.36 2jsc n THR 47 CO 0.00 0.00 0.00 0.08 -3.05 0.00 0.00 175.07 172.10 2jsc h ARG 48 N 3.55 0.00 -0.16 1.09 0.11 -1.92 -0.14 114.38 116.90 2jsc h ARG 48 Ca -0.48 0.00 -0.01 0.00 0.10 0.00 0.00 59.98 59.58 2jsc h ARG 48 Cb 1.24 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 32.32 2jsc h ARG 48 CO 0.69 0.01 0.05 0.77 0.10 0.00 0.00 179.97 181.60 2jsc h SER 49 N 0.00 0.23 0.53 0.08 0.02 -1.99 -0.53 113.55 111.89 2jsc h SER 49 Ca -0.00 -0.19 -0.19 0.00 -0.84 0.00 0.00 61.79 60.57 2jsc h SER 49 Cb 0.03 -0.06 -0.01 0.00 0.14 0.00 0.00 62.40 62.50 2jsc h SER 49 CO 0.00 0.36 -0.82 -1.13 -1.14 0.00 0.00 176.83 174.10 2jsc h ASN 50 N 0.09 0.26 -0.86 3.07 -1.24 -1.45 -2.36 115.58 113.10 2jsc h ASN 50 Ca 0.05 -0.20 0.03 0.00 0.71 0.00 0.00 56.30 56.89 2jsc h ASN 50 Cb 0.21 -0.08 -0.05 0.00 0.73 0.00 0.00 38.32 39.13 2jsc h ASN 50 CO -0.00 0.97 0.56 0.58 -1.29 0.00 0.00 177.43 178.25 2jsc h VAL 51 N 0.13 1.15 -0.79 2.57 2.07 -1.18 -2.91 116.25 117.28 2jsc h VAL 51 Ca -0.04 -0.38 -0.04 0.00 0.82 0.00 0.00 66.70 67.06 2jsc h VAL 51 Cb 1.42 -0.04 -0.04 0.00 -1.52 0.00 0.00 31.29 31.12 2jsc h VAL 51 CO 0.13 0.20 0.33 0.28 0.02 0.00 0.00 177.57 178.52 2jsc h SER 52 N 1.10 1.08 -0.42 0.57 0.02 -0.76 -1.25 113.55 113.89 2jsc h SER 52 Ca 0.34 -0.17 0.09 0.00 -0.84 0.00 0.00 61.79 61.21 2jsc h SER 52 Cb -0.02 -0.28 -0.08 0.00 0.14 0.00 0.00 62.40 62.16 2jsc h SER 52 CO -0.11 0.95 -0.13 -1.13 -1.14 0.00 0.00 176.83 175.27 2jsc h ASN 53 N 1.14 -0.48 -0.14 3.07 -1.24 -1.24 -1.08 115.58 115.61 2jsc h ASN 53 Ca 0.26 0.14 -0.15 0.00 0.71 0.00 0.00 56.30 57.26 2jsc h ASN 53 Cb 0.20 0.29 -0.01 0.00 0.73 0.00 0.00 38.32 39.54 2jsc h ASN 53 CO -0.02 -0.17 -0.42 0.45 -1.29 0.00 0.00 177.43 175.97 2jsc h HIS 54 N -0.04 0.82 -0.38 0.67 3.86 -1.36 -3.15 115.15 115.57 2jsc h HIS 54 Ca 0.20 -0.25 -0.01 0.00 -1.16 0.00 0.00 60.37 59.15 2jsc h HIS 54 Cb 0.35 -0.17 -0.02 0.00 1.06 0.00 0.00 27.41 28.63 2jsc h HIS 54 CO -0.39 0.99 0.18 -0.07 0.86 0.00 0.00 177.93 179.50 2jsc h LEU 55 N 0.56 0.47 -1.08 2.43 3.38 -0.70 -3.19 115.31 117.17 2jsc h LEU 55 Ca 0.04 -0.03 0.15 0.00 0.09 0.00 0.00 57.88 58.13 2jsc h LEU 55 Cb 0.96 -0.12 -0.09 0.00 0.09 0.00 0.00 40.66 41.50 2jsc h LEU 55 CO 0.09 0.40 0.62 0.28 0.09 0.00 0.00 178.44 179.92 2jsc h SER 56 N 0.53 0.81 0.07 -0.43 0.02 -1.17 -1.95 113.55 111.43 2jsc h SER 56 Ca 0.13 0.06 -0.00 0.00 -0.84 0.00 0.00 61.79 61.15 2jsc h SER 56 Cb 0.06 -0.09 0.00 0.00 0.14 0.00 0.00 62.40 62.51 2jsc h SER 56 CO -0.02 0.37 -0.03 0.00 -1.14 0.00 0.00 176.83 176.01 2jsc h LEU 58 N -0.45 0.71 -0.54 0.00 4.07 -1.58 -0.04 115.31 117.48 2jsc h LEU 58 Ca -0.01 -0.02 -0.03 0.00 0.08 0.00 0.00 57.88 57.91 2jsc h LEU 58 Cb 0.39 -0.17 -0.00 0.00 1.08 0.00 0.00 40.66 41.95 2jsc h LEU 58 CO 0.02 0.51 -0.14 0.03 -1.08 0.00 0.00 178.44 177.78 2jsc h ARG 59 N 0.83 0.00 0.01 1.13 3.08 -1.40 0.19 114.38 118.22 2jsc h ARG 59 Ca 0.24 0.00 -0.38 0.00 0.07 0.00 0.00 59.98 59.91 2jsc h ARG 59 Cb -0.05 0.00 -0.07 0.00 0.08 0.00 0.00 29.97 29.94 2jsc h ARG 59 CO -0.06 0.14 -2.40 0.41 -1.07 0.00 0.00 179.97 176.99 2jsc n GLY 60 N 0.70 -0.62 0.19 0.04 0.00 -0.79 -4.31 105.19 100.41 2jsc n GLY 60 Ca 0.02 -0.23 0.14 0.00 0.00 0.00 0.00 46.02 45.95 2jsc n GLY 60 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jsc n GLY 62 N 0.08 0.86 0.18 0.00 0.00 -1.05 -5.01 105.19 100.26 2jsc n GLY 62 Ca 0.02 -0.27 0.11 0.00 0.00 0.00 0.00 46.02 45.88 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 -8.00 0.99 3.38 -0.97 -3.41 115.31 107.30 2jsc h LEU 63 Ca 0.00 0.00 -0.36 0.00 0.09 0.00 0.00 57.88 57.61 2jsc h LEU 63 Cb 0.00 0.00 -0.28 0.00 0.09 0.00 0.00 40.66 40.47 2jsc h LEU 63 CO 0.00 0.04 -0.77 -0.69 0.09 0.00 0.00 178.44 177.11 2jsc s VAL 64 N -3.24 0.59 -0.02 1.22 1.01 -0.74 -0.60 120.40 118.62 2jsc s VAL 64 Ca 0.04 -0.38 0.01 0.00 0.00 0.00 0.00 61.98 61.66 2jsc s VAL 64 Cb 0.07 -0.51 0.01 0.00 0.00 0.00 0.00 36.38 35.94 2jsc s VAL 64 CO 0.72 0.13 -0.05 -0.69 0.00 0.00 0.00 175.10 175.20 2jsc s VAL 65 N -0.26 0.46 0.68 2.92 1.01 0.54 -4.28 120.40 121.48 2jsc s VAL 65 Ca 0.02 -0.18 -0.13 0.00 0.00 0.00 0.00 61.98 61.69 2jsc s VAL 65 Cb -0.03 -0.44 0.01 0.00 0.00 0.00 0.00 36.38 35.92 2jsc s VAL 65 CO -0.00 0.16 1.08 0.00 0.00 0.00 0.00 175.10 176.34 2jsc s ALA 66 N 0.28 2.52 0.04 5.51 0.00 -1.26 -0.59 121.76 128.27 2jsc s ALA 66 Ca -0.03 0.32 -0.19 0.00 0.00 0.00 0.00 51.96 52.06 2jsc s ALA 66 Cb -0.07 -3.25 0.04 0.00 0.00 0.00 0.00 23.12 19.84 2jsc s ALA 66 CO -0.00 -1.29 0.43 0.99 0.00 0.00 0.00 175.76 175.88 2jsc s THR 67 N -2.70 0.05 0.76 0.00 2.01 -1.01 -4.86 115.64 109.89 2jsc s THR 67 Ca 0.62 -0.42 -0.11 0.00 0.31 0.00 0.00 61.69 62.09 2jsc s THR 67 Cb -0.17 -0.94 0.05 0.00 0.01 0.00 0.00 72.50 71.45 2jsc s THR 67 CO 0.48 -0.23 1.08 -0.31 -0.69 0.00 0.00 174.62 174.95 2jsc s TYR 68 N -2.37 2.89 0.22 4.92 2.02 -1.26 -0.58 117.35 123.19 2jsc s TYR 68 Ca -0.06 1.30 0.00 0.00 -0.37 0.00 0.00 57.07 57.94 2jsc s TYR 68 Cb -0.01 -3.02 -0.04 0.00 -0.40 0.00 0.00 41.96 38.49 2jsc s TYR 68 CO -0.02 -1.59 0.15 -1.21 -1.57 0.00 0.00 175.55 171.31 2jsc s GLU 69 N -5.08 1.28 -0.91 -0.62 0.41 0.52 -4.67 118.70 109.63 2jsc s GLU 69 Ca 0.60 -1.69 -0.24 0.00 -0.41 0.00 0.00 54.97 53.23 2jsc s GLU 69 Cb -0.15 0.27 -0.16 0.00 -1.78 0.00 0.00 34.13 32.32 2jsc s GLU 69 CO 0.55 -0.43 1.91 0.41 -0.49 0.00 0.00 175.26 177.22 2jsc n GLY 70 N -0.32 1.38 0.41 -1.39 0.00 -1.26 -2.50 105.19 101.51 2jsc n GLY 70 Ca 0.03 -0.85 0.00 0.00 0.00 0.00 0.00 46.02 45.20 2jsc n GLY 70 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2jsc n ARG 71 N 7.78 0.00 -3.47 1.61 3.00 -1.26 -5.08 116.66 119.24 2jsc n ARG 71 Ca 0.46 0.09 -0.09 0.00 -0.00 0.00 0.00 57.85 58.32 2jsc n ARG 71 Cb 0.44 -0.80 0.02 0.00 0.00 0.00 0.00 32.46 32.12 2jsc n ARG 71 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.63 178.57 2jsc n GLN 72 N -2.21 0.93 -4.41 -0.14 -0.06 -1.04 -5.18 117.38 105.28 2jsc n GLN 72 Ca 0.00 -2.04 -0.24 0.00 -2.00 0.00 0.00 57.00 52.72 2jsc n GLN 72 Cb 0.00 2.42 -0.11 0.00 -4.06 0.00 0.00 30.24 28.49 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 -2.31 2.21 0.39 1.69 -7.23 -1.26 -0.36 120.40 113.53 2jsc s VAL 73 Ca 0.16 -2.12 0.04 0.00 -1.81 0.00 0.00 61.98 58.25 2jsc s VAL 73 Cb -0.04 -2.10 -0.02 0.00 0.56 0.00 0.00 36.38 34.78 2jsc s VAL 73 CO 0.12 -0.28 0.17 0.00 -0.31 0.00 0.00 175.10 174.79 2jsc s ARG 74 N -3.00 1.88 -0.04 4.82 1.70 0.26 -3.99 118.95 120.58 2jsc s ARG 74 Ca 0.22 -2.14 0.03 0.00 -0.47 0.00 0.00 55.73 53.38 2jsc s ARG 74 Cb -0.06 -0.37 0.00 0.00 -0.57 0.00 0.00 34.95 33.95 2jsc s ARG 74 CO 0.10 -0.52 -0.12 0.71 -1.08 0.00 0.00 175.30 174.39 2jsc s TYR 75 N -3.28 1.29 0.09 5.89 2.02 -1.26 -2.42 117.35 119.68 2jsc s TYR 75 Ca 0.28 -0.36 0.05 0.00 -0.37 0.00 0.00 57.07 56.67 2jsc s TYR 75 Cb 0.02 -0.90 -0.03 0.00 -0.40 0.00 0.00 41.96 40.65 2jsc s TYR 75 CO 0.17 -0.14 -0.14 0.00 -1.57 0.00 0.00 175.55 173.87 2jsc s ALA 76 N 0.20 1.30 0.84 3.71 0.00 0.24 -4.35 121.76 123.71 2jsc s ALA 76 Ca -0.05 -1.11 -0.12 0.00 0.00 0.00 0.00 51.96 50.68 2jsc s ALA 76 Cb -0.11 -0.09 0.10 0.00 0.00 0.00 0.00 23.12 23.03 2jsc s ALA 76 CO 0.01 0.15 1.17 -0.51 0.00 0.00 0.00 175.76 176.59 2jsc s LEU 77 N -2.00 3.02 0.20 0.00 1.43 -1.26 -0.34 118.68 119.74 2jsc s LEU 77 Ca 0.02 2.26 -0.20 0.00 -1.03 0.00 0.00 54.13 55.18 2jsc s LEU 77 Cb -0.08 -4.58 0.16 0.00 0.03 0.00 0.00 46.19 41.72 2jsc s LEU 77 CO 0.02 -2.79 1.57 0.00 0.23 0.00 0.00 176.35 175.39 2jsc h ALA 78 N -1.28 -0.01 -2.43 4.21 0.00 -1.09 -3.42 119.26 115.24 2jsc h ALA 78 Ca -0.45 0.20 0.13 0.00 0.00 0.00 0.00 54.91 54.79 2jsc h ALA 78 Cb 1.28 0.92 -0.11 0.00 0.00 0.00 0.00 17.79 19.89 2jsc h ALA 78 CO 0.45 -0.68 0.44 0.34 0.00 0.00 0.00 179.25 179.80 2jsc s ASP 79 N -5.26 -0.28 0.36 0.00 2.15 -1.26 -4.95 116.67 107.43 2jsc s ASP 79 Ca -0.14 -0.25 0.27 0.00 0.43 0.00 0.00 52.55 52.87 2jsc s ASP 79 Cb 0.17 0.48 1.23 0.00 -0.30 0.00 0.00 42.92 44.50 2jsc s ASP 79 CO 0.70 -0.85 1.27 -1.20 -0.17 0.00 0.00 175.17 174.92 2jsc n SER 80 N -0.38 0.16 -0.01 -0.34 7.64 -1.26 -1.28 113.62 118.14 2jsc n SER 80 Ca -0.08 1.11 -0.01 0.00 1.01 0.00 0.00 58.87 60.90 2jsc n SER 80 Cb 0.61 -0.55 -0.01 0.00 -1.01 0.00 0.00 64.21 63.26 2jsc n SER 80 CO 0.00 0.00 0.00 0.45 -3.01 0.00 0.00 175.04 172.48 2jsc h HIS 81 N 0.00 -0.13 -0.11 1.43 3.86 -1.99 0.11 115.15 118.31 2jsc h HIS 81 Ca 0.72 0.01 -0.15 0.00 -1.16 0.00 0.00 60.37 59.79 2jsc h HIS 81 Cb 2.36 0.06 -0.01 0.00 1.06 0.00 0.00 27.41 30.88 2jsc h HIS 81 CO -0.00 -0.04 -0.58 -0.07 0.86 0.00 0.00 177.93 178.10 2jsc h LEU 82 N -0.04 0.40 -0.42 2.43 3.38 -1.60 -1.78 115.31 117.67 2jsc h LEU 82 Ca 0.00 -0.22 0.01 0.00 0.09 0.00 0.00 57.88 57.77 2jsc h LEU 82 Cb 0.05 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 40.66 2jsc h LEU 82 CO -0.04 0.89 0.27 0.00 0.09 0.00 0.00 178.44 179.64 2jsc h ALA 83 N 1.12 0.54 -0.25 1.53 0.00 -1.46 -0.46 119.26 120.27 2jsc h ALA 83 Ca -0.00 -0.02 -0.11 0.00 0.00 0.00 0.00 54.91 54.78 2jsc h ALA 83 Cb 1.09 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.72 2jsc h ALA 83 CO 0.10 -0.03 -0.28 0.07 0.00 0.00 0.00 179.25 179.11 2jsc h ARG 84 N 0.55 0.63 -0.32 0.00 -0.00 -0.70 -1.26 114.38 113.29 2jsc h ARG 84 Ca 0.16 -0.34 0.03 0.00 -0.00 0.00 0.00 59.98 59.83 2jsc h ARG 84 Cb -0.04 0.02 -0.03 0.00 -0.00 0.00 0.00 29.97 29.91 2jsc h ARG 84 CO -0.05 0.95 0.11 0.00 -0.00 0.00 0.00 179.97 180.98 2jsc h ALA 85 N 0.67 0.37 -0.35 0.08 0.00 -1.19 0.20 119.26 119.04 2jsc h ALA 85 Ca 0.04 0.03 -0.17 0.00 0.00 0.00 0.00 54.91 54.81 2jsc h ALA 85 Cb 0.85 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.64 2jsc h ALA 85 CO 0.07 -0.28 -0.44 1.25 0.00 0.00 0.00 179.25 179.84 2jsc h LEU 86 N 0.25 0.97 -0.45 0.00 6.46 -1.13 -3.20 115.31 118.22 2jsc h LEU 86 Ca 0.14 -0.47 -0.17 0.00 -0.12 0.00 0.00 57.88 57.26 2jsc h LEU 86 Cb 0.11 -0.27 -0.00 0.00 -0.73 0.00 0.00 40.66 39.76 2jsc h LEU 86 CO -0.14 1.26 -0.59 1.23 -0.62 0.00 0.00 178.44 179.58 2jsc h GLY 87 N 0.77 0.65 1.60 3.75 0.00 -0.85 -2.42 103.07 106.57 2jsc h GLY 87 Ca 0.05 -0.79 0.00 0.00 0.00 0.00 0.00 47.33 46.59 2jsc h GLY 87 CO 0.10 0.71 0.00 -1.84 0.00 0.00 0.00 176.54 175.51 2jsc n GLU 88 N -3.95 0.26 -1.44 4.80 0.28 0.66 -4.97 120.64 116.28 2jsc n GLU 88 Ca -0.04 0.11 -0.00 0.00 -0.16 0.00 0.00 57.16 57.07 2jsc n GLU 88 Cb 0.63 -1.50 -0.00 0.00 1.43 0.00 0.00 31.44 32.00 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 -1.30 -3.15 -1.15 -1.84 7.94 -0.91 -4.86 117.00 111.73 2jsc n LEU 89 Ca 0.09 0.69 0.00 0.00 -1.11 0.00 0.00 56.01 55.68 2jsc n LEU 89 Cb 0.16 -1.57 0.00 0.00 0.53 0.00 0.00 43.42 42.53 2jsc n LEU 89 CO 0.15 -0.81 0.53 0.52 -1.11 0.00 0.00 177.39 176.67 2jsc n VAL 90 N 0.46 1.07 0.00 1.96 0.31 -1.26 -4.76 118.33 116.10 2jsc n VAL 90 Ca -0.03 -0.11 0.00 0.00 -0.01 0.00 0.00 64.34 64.19 2jsc n VAL 90 Cb 0.04 -1.05 0.00 0.00 -0.91 0.00 0.00 33.84 31.92 2jsc n VAL 90 CO 0.00 0.00 0.00 1.67 -1.32 0.00 0.00 176.83 177.18 2jsc n GLN 91 N 0.85 0.00 -0.67 5.55 -0.06 -1.26 -4.76 117.38 117.02 2jsc n GLN 91 Ca 0.00 0.00 -0.14 0.00 -2.00 0.00 0.00 57.00 54.86 2jsc n GLN 91 Cb 0.42 -1.47 -0.07 0.00 -4.06 0.00 0.00 30.24 25.06 2jsc n GLN 91 CO 0.00 0.00 0.00 1.55 -0.20 0.00 0.00 177.06 178.41 2jsc n VAL 92 N -2.00 2.11 0.00 1.69 3.14 -1.26 -4.53 118.33 117.49 2jsc n VAL 92 Ca 0.00 -1.16 0.00 0.00 -2.96 0.00 0.00 64.34 60.22 2jsc n VAL 92 Cb 0.00 -1.95 0.00 0.00 -1.06 0.00 0.00 33.84 30.83 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 3.29 0.00 0.00 1.55 0.31 -1.26 -4.06 118.33 118.16 2jsc n VAL 93 Ca 0.34 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.67 2jsc n VAL 93 Cb 0.38 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.31 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 -4.23 7.52 0.00 -1.26 -5.03 117.00 113.99 2jsc n LEU 94 Ca 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 56.01 55.75 2jsc n LEU 94 Cb 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 43.42 43.31 2jsc n LEU 94 CO 0.00 0.00 1.29 0.00 0.00 0.00 0.00 177.39 178.68 2jsc n ALA 95 N 0.22 0.74 -1.90 1.96 0.00 -1.26 -4.94 120.51 115.32 2jsc n ALA 95 Ca 0.00 -2.52 -0.36 0.00 0.00 0.00 0.00 53.44 50.57 2jsc n ALA 95 Cb 0.00 -3.49 -0.06 0.00 0.00 0.00 0.00 19.45 15.90 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 13.18 4.37 -1.60 0.00 1.01 -1.26 -4.97 120.40 131.12 2jsc s VAL 96 Ca 0.75 1.57 0.00 0.00 0.00 0.00 0.00 61.98 64.30 2jsc s VAL 96 Cb 0.02 -3.89 0.00 0.00 0.00 0.00 0.00 36.38 32.51 2jsc s VAL 96 CO 0.22 0.09 0.39 -0.90 0.00 0.00 0.00 175.10 174.90 2jsc n ASP 97 N 0.41 0.20 -1.27 3.32 5.75 -1.26 -3.72 116.55 119.98 2jsc n ASP 97 Ca 0.01 -0.98 0.00 0.00 -0.01 0.00 0.00 54.79 53.81 2jsc n ASP 97 Cb 0.51 -0.10 0.00 0.00 -1.03 0.00 0.00 41.12 40.50 2jsc n ASP 97 CO 0.00 0.00 0.00 0.41 -0.11 0.00 0.00 177.20 177.50 2jsc n THR 98 N -0.20 1.15 -1.70 2.12 -1.04 -1.26 -4.83 114.28 108.52 2jsc n THR 98 Ca 0.00 -0.18 -0.44 0.00 -2.04 0.00 0.00 64.05 61.40 2jsc n THR 98 Cb 0.05 -1.12 -0.03 0.00 -1.82 0.00 0.00 70.33 67.41 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 1.05 3.58 -3.97 8.00 2.03 -1.24 -4.96 116.55 121.04 2jsc n ASP 99 Ca 0.00 1.08 -0.21 0.00 0.52 0.00 0.00 54.79 56.18 2jsc n ASP 99 Cb 0.40 -1.51 -0.16 0.00 -0.72 0.00 0.00 41.12 39.13 2jsc n ASP 99 CO 0.00 0.00 0.00 -1.58 -1.92 0.00 0.00 177.20 173.70 2jsc s GLN 100 N 0.89 1.06 0.63 -0.67 2.00 -1.26 -5.07 119.66 117.23 2jsc s GLN 100 Ca 0.76 -0.26 -0.18 0.00 -2.00 0.00 0.00 55.36 53.68 2jsc s GLN 100 Cb -0.58 -0.97 -0.05 0.00 0.80 0.00 0.00 33.01 32.21 2jsc s GLN 100 CO 0.36 0.03 0.81 -0.35 -0.50 0.00 0.00 175.29 175.64 2jsc n PRO 101 N 3.63 0.67 0.00 1.67 -0.04 -1.26 -5.06 135.00 134.61 2jsc n PRO 101 Ca -0.21 0.27 0.00 0.00 -0.04 0.00 0.00 63.50 63.52 2jsc n PRO 101 Cb 0.53 -2.02 0.00 0.00 -0.04 0.00 0.00 33.50 31.96 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 0.00 0.00 -3.62 0.00 0.31 -1.26 -4.76 118.33 108.99 2jsc n VAL 103 Ca 0.00 0.00 -0.05 0.00 -0.01 0.00 0.00 64.34 64.28 2jsc n VAL 103 Cb 0.00 0.00 -0.05 0.00 -0.91 0.00 0.00 33.84 32.88 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 -1.00 -2.07 -0.16 3.52 0.00 -1.26 -5.20 121.76 115.59 2jsc s ALA 104 Ca 0.00 1.79 -0.17 0.00 0.00 0.00 0.00 51.96 53.59 2jsc s ALA 104 Cb 0.00 -1.29 0.04 0.00 0.00 0.00 0.00 23.12 21.87 2jsc s ALA 104 CO 0.00 -0.25 0.46 -2.00 0.00 0.00 0.00 175.76 173.97 2jsc s GLU 105 N -0.98 0.57 0.00 0.00 2.12 -1.26 -5.28 118.70 113.88 2jsc s GLU 105 Ca 0.06 0.57 0.29 0.00 0.36 0.00 0.00 54.97 56.25 2jsc s GLU 105 Cb -0.01 0.28 1.74 0.00 0.26 0.00 0.00 34.13 36.40 2jsc s GLU 105 CO -0.05 -0.08 2.07 -2.13 -0.54 0.00 0.00 175.26 174.53