#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 0.00 -0.58 0.00 -0.00 -2.03 -2.68 115.31 110.02 2jsc h LEU 11 Ca 0.00 0.00 -0.05 0.00 -0.00 0.00 0.00 57.88 57.83 2jsc h LEU 11 Cb 0.00 0.00 -0.02 0.00 -0.00 0.00 0.00 40.66 40.64 2jsc h LEU 11 CO 0.00 0.00 0.17 0.00 -0.00 0.00 0.00 178.44 178.61 2jsc h ALA 12 N 2.02 0.76 -0.61 1.53 0.00 -2.06 -1.07 119.26 119.82 2jsc h ALA 12 Ca 0.00 -0.20 0.01 0.00 0.00 0.00 0.00 54.91 54.71 2jsc h ALA 12 Cb 0.53 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 18.06 2jsc h ALA 12 CO 0.00 0.43 0.41 0.00 0.00 0.00 0.00 179.25 180.09 2jsc h ARG 13 N 0.82 0.80 -0.79 0.00 2.47 -1.93 -2.79 114.38 112.95 2jsc h ARG 13 Ca 0.19 -0.05 0.03 0.00 -1.26 0.00 0.00 59.98 58.88 2jsc h ARG 13 Cb 0.29 -0.18 -0.05 0.00 -1.65 0.00 0.00 29.97 28.39 2jsc h ARG 13 CO -0.00 0.53 0.51 1.25 0.56 0.00 0.00 179.97 182.82 2jsc h LEU 14 N 0.83 0.85 -1.42 3.04 7.12 -1.34 -0.55 115.31 123.83 2jsc h LEU 14 Ca 0.23 -0.01 -0.06 0.00 0.13 0.00 0.00 57.88 58.17 2jsc h LEU 14 Cb -0.09 -0.19 -0.01 0.00 -0.53 0.00 0.00 40.66 39.84 2jsc h LEU 14 CO -0.05 0.59 -0.28 1.23 -0.13 0.00 0.00 178.44 179.80 2jsc h GLY 15 N 1.00 0.01 1.07 3.75 0.00 -1.00 -1.58 103.07 106.33 2jsc h GLY 15 Ca 0.31 -0.01 -0.20 0.00 0.00 0.00 0.00 47.33 47.44 2jsc h GLY 15 CO -0.10 0.01 -0.68 -0.09 0.00 0.00 0.00 176.54 175.68 2jsc h ARG 16 N 0.01 0.70 -0.50 4.80 2.43 -1.21 -2.72 114.38 117.90 2jsc h ARG 16 Ca -0.00 -0.57 0.09 0.00 -0.81 0.00 0.00 59.98 58.68 2jsc h ARG 16 Cb 0.50 0.12 -0.03 0.00 -0.42 0.00 0.00 29.97 30.15 2jsc h ARG 16 CO 0.04 1.19 0.34 0.00 -1.51 0.00 0.00 179.97 180.02 2jsc h ALA 17 N 0.52 2.07 -0.02 2.80 0.00 -0.37 0.14 119.26 124.40 2jsc h ALA 17 Ca -0.05 -0.01 -0.13 0.00 0.00 0.00 0.00 54.91 54.72 2jsc h ALA 17 Cb 1.32 -0.06 0.01 0.00 0.00 0.00 0.00 17.79 19.06 2jsc h ALA 17 CO 0.14 -0.18 -0.49 -0.07 0.00 0.00 0.00 179.25 178.65 2jsc h LEU 18 N 0.31 0.47 0.00 0.00 3.38 -1.35 -3.38 115.31 114.74 2jsc h LEU 18 Ca 0.23 -0.73 0.00 0.00 0.09 0.00 0.00 57.88 57.47 2jsc h LEU 18 Cb 0.50 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.11 2jsc h LEU 18 CO -0.05 1.14 -0.30 0.00 0.09 0.00 0.00 178.44 179.31 2jsc n ALA 19 N -2.56 2.64 -1.52 1.53 0.00 -0.76 -3.97 120.51 115.87 2jsc n ALA 19 Ca -0.10 -0.15 -0.39 0.00 0.00 0.00 0.00 53.44 52.81 2jsc n ALA 19 Cb 0.61 -1.32 0.04 0.00 0.00 0.00 0.00 19.45 18.78 2jsc n ALA 19 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2jsc n ASP 20 N -2.10 -0.24 0.02 0.00 9.92 0.41 -4.67 116.55 119.89 2jsc n ASP 20 Ca 0.05 0.81 -0.08 0.00 -0.53 0.00 0.00 54.79 55.04 2jsc n ASP 20 Cb 0.42 -1.25 -0.05 0.00 -0.64 0.00 0.00 41.12 39.60 2jsc n ASP 20 CO 0.00 0.00 0.00 1.55 0.13 0.00 0.00 177.20 178.88 2jsc h PRO 21 N 0.52 -0.31 0.04 -0.24 0.13 -1.87 0.41 132.00 130.67 2jsc h PRO 21 Ca -0.46 0.02 -0.25 0.00 -0.87 0.00 0.00 66.00 64.45 2jsc h PRO 21 Cb 1.38 0.07 -0.03 0.00 0.13 0.00 0.00 31.00 32.56 2jsc h PRO 21 CO 0.50 -0.21 -1.24 1.15 -0.23 0.00 0.00 178.00 177.97 2jsc h THR 22 N -0.32 1.45 -0.04 1.56 2.02 -1.93 -3.37 112.91 112.28 2jsc h THR 22 Ca 0.01 -3.16 -0.15 0.00 0.77 0.00 0.00 66.41 63.88 2jsc h THR 22 Cb 0.36 2.78 -0.01 0.00 -1.74 0.00 0.00 68.15 69.53 2jsc h THR 22 CO -0.20 0.86 -0.66 -0.09 0.37 0.00 0.00 175.52 175.80 2jsc h ARG 23 N 0.02 0.17 0.04 6.66 2.43 -1.78 0.70 114.38 122.62 2jsc h ARG 23 Ca -0.11 -0.13 -0.00 0.00 -0.81 0.00 0.00 59.98 58.93 2jsc h ARG 23 Cb 1.88 0.02 0.00 0.00 -0.42 0.00 0.00 29.97 31.45 2jsc h ARG 23 CO 0.14 0.77 -0.02 0.00 -1.51 0.00 0.00 179.97 179.35 2jsc h ARG 25 N -0.12 0.53 -0.22 0.00 3.08 -1.67 -0.68 114.38 115.29 2jsc h ARG 25 Ca -0.00 -0.03 0.06 0.00 0.07 0.00 0.00 59.98 60.07 2jsc h ARG 25 Cb 0.11 -0.12 -0.07 0.00 0.08 0.00 0.00 29.97 29.97 2jsc h ARG 25 CO 0.01 0.35 -0.25 0.82 -1.07 0.00 0.00 179.97 179.83 2jsc h ILE 26 N 0.55 0.38 -0.03 2.04 1.08 -0.77 -1.23 117.51 119.54 2jsc h ILE 26 Ca 0.22 0.00 0.03 0.00 -0.39 0.00 0.00 64.86 64.72 2jsc h ILE 26 Cb 0.10 0.38 -0.03 0.00 -3.07 0.00 0.00 36.82 34.21 2jsc h ILE 26 CO -0.14 0.00 -0.13 -0.07 -0.69 0.00 0.00 178.15 177.12 2jsc h LEU 27 N -0.27 -0.40 -1.11 1.44 3.38 -0.36 -1.09 115.31 116.91 2jsc h LEU 27 Ca 0.13 0.06 -0.01 0.00 0.09 0.00 0.00 57.88 58.15 2jsc h LEU 27 Cb 0.47 0.17 -0.04 0.00 0.09 0.00 0.00 40.66 41.35 2jsc h LEU 27 CO -0.37 -0.19 0.43 -0.37 0.09 0.00 0.00 178.44 178.03 2jsc h VAL 28 N -0.21 1.22 0.00 1.22 -1.51 -0.95 -1.37 116.25 114.65 2jsc h VAL 28 Ca 0.06 -0.53 0.00 0.00 -1.23 0.00 0.00 66.70 64.99 2jsc h VAL 28 Cb 0.29 0.18 0.00 0.00 -2.13 0.00 0.00 31.29 29.62 2jsc h VAL 28 CO -0.15 0.24 0.00 0.00 -1.23 0.00 0.00 177.57 176.43 2jsc h ALA 29 N 1.41 1.00 -0.11 5.19 0.00 -0.97 -3.19 119.26 122.59 2jsc h ALA 29 Ca 0.27 0.00 -0.23 0.00 0.00 0.00 0.00 54.91 54.95 2jsc h ALA 29 Cb 0.00 0.00 0.01 0.00 0.00 0.00 0.00 17.79 17.81 2jsc h ALA 29 CO -0.05 0.00 -0.84 1.25 0.00 0.00 0.00 179.25 179.61 2jsc h LEU 30 N 0.00 0.93 -0.62 0.00 5.85 -0.02 -2.87 115.31 118.58 2jsc h LEU 30 Ca 0.00 -0.66 0.12 0.00 0.84 0.00 0.00 57.88 58.18 2jsc h LEU 30 Cb 0.53 -0.28 -0.09 0.00 0.37 0.00 0.00 40.66 41.20 2jsc h LEU 30 CO 0.00 1.45 0.14 -0.07 -0.34 0.00 0.00 178.44 179.62 2jsc h LEU 31 N 0.49 0.01 -1.03 2.25 3.38 -1.53 -0.22 115.31 118.66 2jsc h LEU 31 Ca -0.07 0.12 0.00 0.00 0.09 0.00 0.00 57.88 58.01 2jsc h LEU 31 Cb 1.48 0.15 0.00 0.00 0.09 0.00 0.00 40.66 42.38 2jsc h LEU 31 CO 0.17 0.01 0.00 0.47 0.09 0.00 0.00 178.44 179.18 2jsc n ASP 32 N -5.13 1.47 0.00 -0.43 9.92 -1.24 -4.68 116.55 116.46 2jsc n ASP 32 Ca 0.10 -2.06 0.00 0.00 -0.53 0.00 0.00 54.79 52.30 2jsc n ASP 32 Cb 0.34 -0.23 0.00 0.00 -0.64 0.00 0.00 41.12 40.58 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 0.73 0.77 3.95 0.44 0.00 -0.23 -5.01 105.19 105.84 2jsc n GLY 33 Ca 0.08 -0.02 -0.33 0.00 0.00 0.00 0.00 46.02 45.74 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 -0.09 0.00 1.61 0.24 -0.40 -4.93 118.33 114.77 2jsc n VAL 34 Ca 0.00 -0.05 0.00 0.00 -2.04 0.00 0.00 64.34 62.25 2jsc n VAL 34 Cb 0.00 -0.45 0.00 0.00 -1.47 0.00 0.00 33.84 31.92 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 0.48 2.64 -0.28 0.00 2.02 -1.26 -3.87 117.35 117.08 2jsc s TYR 36 Ca 0.00 -0.53 -0.29 0.00 -0.37 0.00 0.00 57.07 55.89 2jsc s TYR 36 Cb 0.00 -1.91 -0.03 0.00 -0.40 0.00 0.00 41.96 39.62 2jsc s TYR 36 CO 0.00 0.18 1.81 -1.25 -1.57 0.00 0.00 175.55 174.72 2jsc s PRO 37 N -3.92 3.45 0.00 -1.71 0.04 -1.25 -1.16 135.00 130.45 2jsc s PRO 37 Ca 0.41 1.59 0.00 0.00 0.04 0.00 0.00 61.00 63.04 2jsc s PRO 37 Cb 0.01 -4.18 0.00 0.00 0.04 0.00 0.00 34.50 30.38 2jsc s PRO 37 CO 0.23 -1.72 0.00 0.41 0.04 0.00 0.00 177.00 175.96 2jsc n GLY 38 N 5.26 0.72 0.34 0.56 0.00 -1.26 -4.97 105.19 105.85 2jsc n GLY 38 Ca 0.23 0.00 0.18 0.00 0.00 0.00 0.00 46.02 46.43 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 2.58 0.00 0.00 1.61 -0.00 -1.53 -1.48 115.11 116.29 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 0.00 0.00 -0.07 -0.00 0.00 0.00 178.83 178.76 2jsc h LEU 40 N 0.00 0.00 -2.19 0.06 4.07 -1.93 -2.25 115.31 113.07 2jsc h LEU 40 Ca 0.03 0.00 -0.01 0.00 0.08 0.00 0.00 57.88 57.98 2jsc h LEU 40 Cb 0.46 0.00 -0.00 0.00 1.08 0.00 0.00 40.66 42.20 2jsc h LEU 40 CO -0.00 0.00 -0.06 0.00 -1.08 0.00 0.00 178.44 177.30 2jsc h ALA 41 N 2.06 1.42 0.00 1.53 0.00 -1.43 0.13 119.26 122.97 2jsc h ALA 41 Ca 0.00 -0.06 -0.00 0.00 0.00 0.00 0.00 54.91 54.85 2jsc h ALA 41 Cb 0.16 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.94 2jsc h ALA 41 CO 0.00 0.08 -0.00 0.00 0.00 0.00 0.00 179.25 179.32 2jsc h ALA 42 N 1.94 -0.00 -0.93 0.00 0.00 -1.64 -2.57 119.26 116.05 2jsc h ALA 42 Ca -0.00 -0.41 0.09 0.00 0.00 0.00 0.00 54.91 54.59 2jsc h ALA 42 Cb 0.16 0.00 -0.07 0.00 0.00 0.00 0.00 17.79 17.89 2jsc h ALA 42 CO 0.01 -0.09 0.60 0.45 0.00 0.00 0.00 179.25 180.22 2jsc h HIS 43 N -0.83 1.04 0.00 0.00 -0.00 -1.47 -3.16 115.15 110.74 2jsc h HIS 43 Ca -0.00 0.03 0.00 0.00 -0.00 0.00 0.00 60.37 60.40 2jsc h HIS 43 Cb 0.82 -0.34 0.00 0.00 -0.00 0.00 0.00 27.41 27.89 2jsc h HIS 43 CO 0.21 0.49 -1.92 1.28 -0.00 0.00 0.00 177.93 178.00 2jsc n LEU 44 N -4.53 0.07 0.00 2.43 4.77 0.40 -4.98 117.00 115.16 2jsc n LEU 44 Ca 0.15 0.01 0.00 0.00 -0.03 0.00 0.00 56.01 56.15 2jsc n LEU 44 Cb 0.27 -0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.36 2jsc n LEU 44 CO 0.31 -0.01 0.00 0.61 -1.33 0.00 0.00 177.39 176.97 2jsc n GLY 45 N 1.26 1.75 3.70 -0.72 0.00 -0.97 -4.98 105.19 105.23 2jsc n GLY 45 Ca -0.04 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.56 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 4.34 0.78 0.99 2.01 -1.25 -4.98 118.68 120.56 2jsc s LEU 46 Ca 0.00 1.96 -0.15 0.00 0.01 0.00 0.00 54.13 55.95 2jsc s LEU 46 Cb 0.00 -3.57 0.03 0.00 0.01 0.00 0.00 46.19 42.66 2jsc s LEU 46 CO 0.00 -0.52 0.92 1.07 1.01 0.00 0.00 176.35 178.82 2jsc n THR 47 N 4.20 2.05 0.22 5.49 5.66 -1.26 -4.19 114.28 126.44 2jsc n THR 47 Ca 0.10 -0.30 0.11 0.00 -3.05 0.00 0.00 64.05 60.91 2jsc n THR 47 Cb 0.46 -1.02 0.60 0.00 -1.55 0.00 0.00 70.33 68.82 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 -0.65 0.00 0.17 1.09 0.11 -1.90 -0.46 114.38 112.73 2jsc h ARG 48 Ca -0.46 0.00 -0.01 0.00 0.10 0.00 0.00 59.98 59.61 2jsc h ARG 48 Cb 1.32 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.40 2jsc h ARG 48 CO 0.44 0.00 -0.08 1.03 0.10 0.00 0.00 179.97 181.46 2jsc h SER 49 N 0.00 -0.19 -0.80 0.08 0.87 -1.98 -0.91 113.55 110.62 2jsc h SER 49 Ca 0.00 0.01 0.10 0.00 -1.23 0.00 0.00 61.79 60.67 2jsc h SER 49 Cb 0.42 0.05 -0.08 0.00 -0.44 0.00 0.00 62.40 62.35 2jsc h SER 49 CO 0.00 -0.11 0.44 0.78 -0.53 0.00 0.00 176.83 177.41 2jsc h ASN 50 N -0.28 0.60 -0.36 6.23 4.21 -1.62 0.94 115.58 125.30 2jsc h ASN 50 Ca -0.02 0.06 -0.02 0.00 1.21 0.00 0.00 56.30 57.52 2jsc h ASN 50 Cb 0.17 -0.05 -0.02 0.00 -1.12 0.00 0.00 38.32 37.30 2jsc h ASN 50 CO 0.04 0.33 0.14 0.58 -1.29 0.00 0.00 177.43 177.22 2jsc h VAL 51 N 0.71 1.19 -0.15 2.81 2.07 -1.24 -1.17 116.25 120.48 2jsc h VAL 51 Ca 0.40 -0.60 -0.16 0.00 0.82 0.00 0.00 66.70 67.16 2jsc h VAL 51 Cb 0.42 0.92 -0.01 0.00 -1.52 0.00 0.00 31.29 31.10 2jsc h VAL 51 CO -0.27 0.21 -0.58 0.28 0.02 0.00 0.00 177.57 177.23 2jsc h SER 52 N 0.43 0.53 0.37 0.57 0.02 -0.51 -0.26 113.55 114.70 2jsc h SER 52 Ca 0.12 -0.29 -0.00 0.00 -0.84 0.00 0.00 61.79 60.77 2jsc h SER 52 Cb 0.20 -0.15 -0.02 0.00 0.14 0.00 0.00 62.40 62.57 2jsc h SER 52 CO -0.01 0.99 -0.36 -1.13 -1.14 0.00 0.00 176.83 175.18 2jsc h ASN 53 N 0.36 -0.98 0.74 3.07 -1.24 -0.77 -1.11 115.58 115.64 2jsc h ASN 53 Ca 0.00 0.08 -0.12 0.00 0.71 0.00 0.00 56.30 56.98 2jsc h ASN 53 Cb 1.12 0.33 -0.02 0.00 0.73 0.00 0.00 38.32 40.48 2jsc h ASN 53 CO 0.10 -0.51 -0.56 0.45 -1.29 0.00 0.00 177.43 175.63 2jsc h HIS 54 N -0.75 0.00 -0.29 0.67 3.86 -1.20 -2.69 115.15 114.76 2jsc h HIS 54 Ca -0.03 0.00 -0.05 0.00 -1.16 0.00 0.00 60.37 59.13 2jsc h HIS 54 Cb 0.67 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 29.13 2jsc h HIS 54 CO -0.20 0.56 -0.05 -0.07 0.86 0.00 0.00 177.93 179.03 2jsc h LEU 55 N 0.00 0.43 -0.41 2.43 3.38 -0.95 -3.20 115.31 116.98 2jsc h LEU 55 Ca -0.01 -0.09 -0.01 0.00 0.09 0.00 0.00 57.88 57.87 2jsc h LEU 55 Cb 1.08 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 41.70 2jsc h LEU 55 CO 0.07 0.53 0.21 0.28 0.09 0.00 0.00 178.44 179.63 2jsc h SER 56 N 0.43 0.53 1.15 -0.43 0.02 -0.84 0.96 113.55 115.37 2jsc h SER 56 Ca 0.09 -0.11 -0.01 0.00 -0.84 0.00 0.00 61.79 60.92 2jsc h SER 56 Cb 0.37 -0.14 -0.00 0.00 0.14 0.00 0.00 62.40 62.77 2jsc h SER 56 CO 0.02 0.49 -0.06 0.00 -1.14 0.00 0.00 176.83 176.13 2jsc h LEU 58 N 0.00 0.85 -0.49 0.00 5.85 -1.13 0.67 115.31 121.06 2jsc h LEU 58 Ca -0.00 -0.29 0.00 0.00 0.84 0.00 0.00 57.88 58.43 2jsc h LEU 58 Cb 0.66 -0.23 0.00 0.00 0.37 0.00 0.00 40.66 41.45 2jsc h LEU 58 CO 0.01 1.01 0.00 0.03 -0.34 0.00 0.00 178.44 179.15 2jsc h ARG 59 N 0.75 0.00 0.00 1.25 3.08 -0.62 -1.00 114.38 117.84 2jsc h ARG 59 Ca 0.11 0.00 -0.04 0.00 0.07 0.00 0.00 59.98 60.13 2jsc h ARG 59 Cb 0.69 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.73 2jsc h ARG 59 CO 0.05 0.00 -0.63 0.41 -1.07 0.00 0.00 179.97 178.73 2jsc n GLY 60 N 0.49 -0.94 0.04 0.04 0.00 -0.93 -4.21 105.19 99.69 2jsc n GLY 60 Ca 0.03 -0.13 0.00 0.00 0.00 0.00 0.00 46.02 45.93 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 -0.38 1.11 0.12 0.00 0.00 -1.18 -4.86 105.19 100.00 2jsc n GLY 62 Ca 0.00 -0.10 -0.00 0.00 0.00 0.00 0.00 46.02 45.92 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 -8.13 0.99 3.38 -1.51 -3.42 115.31 106.62 2jsc h LEU 63 Ca -0.23 0.00 -0.39 0.00 0.09 0.00 0.00 57.88 57.35 2jsc h LEU 63 Cb 1.05 0.00 -0.27 0.00 0.09 0.00 0.00 40.66 41.53 2jsc h LEU 63 CO 0.33 0.64 -0.78 0.68 0.09 0.00 0.00 178.44 179.40 2jsc s VAL 64 N -3.01 0.81 -0.01 1.22 -7.23 -0.94 -1.49 120.40 109.73 2jsc s VAL 64 Ca 0.02 -0.64 0.04 0.00 -1.81 0.00 0.00 61.98 59.59 2jsc s VAL 64 Cb 0.09 -0.72 -0.01 0.00 0.56 0.00 0.00 36.38 36.30 2jsc s VAL 64 CO 0.76 0.08 -0.13 -0.69 -0.31 0.00 0.00 175.10 174.80 2jsc s VAL 65 N -0.53 1.05 0.24 1.32 1.01 0.26 -4.31 120.40 119.43 2jsc s VAL 65 Ca 0.01 -0.57 -0.30 0.00 0.00 0.00 0.00 61.98 61.13 2jsc s VAL 65 Cb -0.05 -0.87 -0.09 0.00 0.00 0.00 0.00 36.38 35.36 2jsc s VAL 65 CO 0.00 0.30 1.12 0.00 0.00 0.00 0.00 175.10 176.52 2jsc s ALA 66 N -0.30 3.41 0.12 5.51 0.00 -1.26 -0.67 121.76 128.57 2jsc s ALA 66 Ca 0.05 0.90 0.01 0.00 0.00 0.00 0.00 51.96 52.93 2jsc s ALA 66 Cb -0.05 -3.35 -0.04 0.00 0.00 0.00 0.00 23.12 19.67 2jsc s ALA 66 CO -0.00 -0.23 -0.04 0.95 0.00 0.00 0.00 175.76 176.44 2jsc s THR 67 N -0.75 0.63 -0.09 0.00 -4.23 -0.56 -4.96 115.64 105.69 2jsc s THR 67 Ca 0.47 -1.94 -0.30 0.00 -1.18 0.00 0.00 61.69 58.74 2jsc s THR 67 Cb -0.32 -1.82 -0.03 0.00 1.34 0.00 0.00 72.50 71.67 2jsc s THR 67 CO 0.39 -0.75 1.30 -0.47 -0.54 0.00 0.00 174.62 174.56 2jsc s TYR 68 N -3.67 2.88 -0.07 3.99 5.04 -1.26 -0.41 117.35 123.85 2jsc s TYR 68 Ca 0.16 0.96 0.22 0.00 -2.44 0.00 0.00 57.07 55.97 2jsc s TYR 68 Cb 0.06 -3.55 0.62 0.00 0.35 0.00 0.00 41.96 39.44 2jsc s TYR 68 CO -0.02 -1.92 1.70 1.05 -1.34 0.00 0.00 175.55 175.02 2jsc h GLU 69 N 8.02 0.00 0.00 4.97 4.11 -1.65 -3.46 114.58 126.57 2jsc h GLU 69 Ca -0.32 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.11 2jsc h GLU 69 Cb 1.14 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.39 2jsc h GLU 69 CO 0.93 0.23 0.00 0.41 0.07 0.00 0.00 179.01 180.65 2jsc n GLY 70 N 0.62 2.38 5.00 1.06 0.00 -1.26 -4.92 105.19 108.08 2jsc n GLY 70 Ca 0.01 -0.82 0.00 0.00 0.00 0.00 0.00 46.02 45.22 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 0.14 0.00 -0.63 1.61 0.63 -1.26 -4.89 116.66 112.26 2jsc n ARG 71 Ca 0.00 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.93 2jsc n ARG 71 Cb 0.00 0.00 0.00 0.00 0.45 0.00 0.00 32.46 32.91 2jsc n ARG 71 CO 0.00 0.00 0.00 1.04 -2.51 0.00 0.00 177.63 176.16 2jsc n GLN 72 N 0.00 1.49 -4.23 -0.14 1.13 -1.26 -5.13 117.38 109.24 2jsc n GLN 72 Ca 0.00 0.00 -0.20 0.00 -1.94 0.00 0.00 57.00 54.86 2jsc n GLN 72 Cb 0.00 0.00 -0.12 0.00 0.11 0.00 0.00 30.24 30.23 2jsc n GLN 72 CO 0.00 0.00 0.00 0.54 -1.44 0.00 0.00 177.06 176.16 2jsc s VAL 73 N 1.12 1.32 0.24 5.09 0.11 -1.26 -1.79 120.40 125.23 2jsc s VAL 73 Ca 0.00 -1.36 0.01 0.00 -2.93 0.00 0.00 61.98 57.69 2jsc s VAL 73 Cb 0.00 -1.24 -0.05 0.00 -1.53 0.00 0.00 36.38 33.57 2jsc s VAL 73 CO 0.00 -0.15 0.10 0.00 -3.33 0.00 0.00 175.10 171.72 2jsc s ARG 74 N -1.75 1.34 -0.06 1.54 1.70 0.46 -3.91 118.95 118.27 2jsc s ARG 74 Ca 0.01 -1.72 0.02 0.00 -0.47 0.00 0.00 55.73 53.58 2jsc s ARG 74 Cb -0.10 -0.11 -0.03 0.00 -0.57 0.00 0.00 34.95 34.14 2jsc s ARG 74 CO 0.03 -0.31 -0.11 0.71 -1.08 0.00 0.00 175.30 174.54 2jsc s TYR 75 N -3.86 2.82 0.02 5.89 2.02 -1.26 -1.49 117.35 121.48 2jsc s TYR 75 Ca 0.37 -0.09 0.00 0.00 -0.37 0.00 0.00 57.07 56.98 2jsc s TYR 75 Cb 0.08 -1.68 -0.02 0.00 -0.40 0.00 0.00 41.96 39.93 2jsc s TYR 75 CO 0.13 0.24 -0.03 0.00 -1.57 0.00 0.00 175.55 174.31 2jsc s ALA 76 N -0.71 0.17 0.09 3.71 0.00 0.16 -4.43 121.76 120.75 2jsc s ALA 76 Ca 0.11 -0.65 -0.36 0.00 0.00 0.00 0.00 51.96 51.06 2jsc s ALA 76 Cb -0.11 0.16 -0.16 0.00 0.00 0.00 0.00 23.12 23.01 2jsc s ALA 76 CO 0.01 -0.17 1.42 -0.11 0.00 0.00 0.00 175.76 176.91 2jsc n LEU 77 N 1.47 2.06 0.26 0.00 7.94 -1.26 -0.58 117.00 126.89 2jsc n LEU 77 Ca -0.23 1.11 0.13 0.00 -1.11 0.00 0.00 56.01 55.90 2jsc n LEU 77 Cb 0.55 -1.25 0.70 0.00 0.53 0.00 0.00 43.42 43.96 2jsc n LEU 77 CO 0.21 -0.82 0.96 0.00 -1.11 0.00 0.00 177.39 176.62 2jsc h ALA 78 N 5.08 1.22 -2.57 1.96 0.00 -1.51 -3.44 119.26 120.00 2jsc h ALA 78 Ca -0.47 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 54.31 2jsc h ALA 78 Cb 1.31 -0.02 -0.15 0.00 0.00 0.00 0.00 17.79 18.93 2jsc h ALA 78 CO 0.81 0.16 0.25 0.34 0.00 0.00 0.00 179.25 180.81 2jsc s ASP 79 N -6.11 -0.57 0.42 0.00 2.15 -1.26 -4.98 116.67 106.32 2jsc s ASP 79 Ca -0.02 0.23 0.27 0.00 0.43 0.00 0.00 52.55 53.46 2jsc s ASP 79 Cb 0.13 0.55 1.36 0.00 -0.30 0.00 0.00 42.92 44.65 2jsc s ASP 79 CO 0.59 -0.80 1.64 0.77 -0.17 0.00 0.00 175.17 177.20 2jsc h SER 80 N 2.32 0.29 -0.74 -0.34 4.64 -1.99 -1.59 113.55 116.14 2jsc h SER 80 Ca -0.30 0.14 0.03 0.00 -0.47 0.00 0.00 61.79 61.19 2jsc h SER 80 Cb 1.25 0.12 -0.05 0.00 -0.31 0.00 0.00 62.40 63.41 2jsc h SER 80 CO 0.37 -0.16 0.46 0.45 -0.87 0.00 0.00 176.83 177.09 2jsc h HIS 81 N 0.13 0.87 -0.15 4.77 3.86 -1.99 -0.80 115.15 121.85 2jsc h HIS 81 Ca 0.79 0.02 -0.20 0.00 -1.16 0.00 0.00 60.37 59.82 2jsc h HIS 81 Cb 2.36 -0.28 0.00 0.00 1.06 0.00 0.00 27.41 30.55 2jsc h HIS 81 CO -0.01 0.49 -0.73 -0.07 0.86 0.00 0.00 177.93 178.48 2jsc h LEU 82 N 0.90 0.80 -0.95 2.43 3.38 -1.71 -0.87 115.31 119.29 2jsc h LEU 82 Ca 0.30 -0.51 0.01 0.00 0.09 0.00 0.00 57.88 57.77 2jsc h LEU 82 Cb 0.03 -0.24 -0.05 0.00 0.09 0.00 0.00 40.66 40.50 2jsc h LEU 82 CO -0.12 1.29 0.63 0.00 0.09 0.00 0.00 178.44 180.33 2jsc h ALA 83 N 0.70 1.22 0.09 1.53 0.00 -1.27 -0.21 119.26 121.32 2jsc h ALA 83 Ca -0.04 -0.06 -0.00 0.00 0.00 0.00 0.00 54.91 54.81 2jsc h ALA 83 Cb 1.33 -0.38 0.00 0.00 0.00 0.00 0.00 17.79 18.74 2jsc h ALA 83 CO 0.14 0.60 -0.04 -0.09 0.00 0.00 0.00 179.25 179.86 2jsc h ARG 84 N 1.29 -0.12 -0.45 0.00 9.65 -1.13 -0.84 114.38 122.78 2jsc h ARG 84 Ca 0.35 0.01 -0.01 0.00 -1.10 0.00 0.00 59.98 59.24 2jsc h ARG 84 Cb -0.14 0.03 -0.02 0.00 -1.39 0.00 0.00 29.97 28.45 2jsc h ARG 84 CO -0.08 0.36 0.26 0.00 2.80 0.00 0.00 179.97 183.31 2jsc h ALA 85 N 0.13 0.57 0.29 2.80 0.00 -0.99 0.15 119.26 122.23 2jsc h ALA 85 Ca -0.01 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.83 2jsc h ALA 85 Cb 0.53 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.12 2jsc h ALA 85 CO 0.02 0.08 -0.30 1.25 0.00 0.00 0.00 179.25 180.30 2jsc h LEU 86 N 0.59 -0.82 -0.82 0.00 6.46 -1.17 -3.27 115.31 116.29 2jsc h LEU 86 Ca 0.16 0.07 0.00 0.00 -0.12 0.00 0.00 57.88 57.99 2jsc h LEU 86 Cb 0.02 0.28 0.00 0.00 -0.73 0.00 0.00 40.66 40.23 2jsc h LEU 86 CO -0.03 -0.43 0.00 1.23 -0.62 0.00 0.00 178.44 178.59 2jsc h GLY 87 N -0.63 0.00 2.00 3.75 0.00 -0.52 -0.12 103.07 107.55 2jsc h GLY 87 Ca -0.01 0.00 -0.05 0.00 0.00 0.00 0.00 47.33 47.27 2jsc h GLY 87 CO -0.07 0.00 -0.22 -2.09 0.00 0.00 0.00 176.54 174.16 2jsc h GLU 88 N 0.00 0.00 -2.42 4.80 4.57 -0.80 -3.50 114.58 117.24 2jsc h GLU 88 Ca 0.00 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 2jsc h GLU 88 Cb 0.56 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.15 2jsc h GLU 88 CO 0.00 0.22 -0.36 -0.11 -1.18 0.00 0.00 179.01 177.58 2jsc n LEU 89 N -3.30 -3.57 -0.44 1.64 7.94 -0.06 -4.80 117.00 114.41 2jsc n LEU 89 Ca 0.01 1.20 0.00 0.00 -1.11 0.00 0.00 56.01 56.10 2jsc n LEU 89 Cb 0.47 -1.82 0.00 0.00 0.53 0.00 0.00 43.42 42.61 2jsc n LEU 89 CO 0.34 -0.75 0.13 0.52 -1.11 0.00 0.00 177.39 176.52 2jsc n VAL 90 N 0.71 0.00 0.00 1.96 0.31 -1.26 -4.74 118.33 115.32 2jsc n VAL 90 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 2jsc n VAL 90 Cb 0.00 -0.23 0.00 0.00 -0.91 0.00 0.00 33.84 32.70 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 0.18 0.00 -0.36 5.55 -0.06 -1.26 -4.74 117.38 116.68 2jsc n GLN 91 Ca 0.00 0.00 -0.01 0.00 -2.00 0.00 0.00 57.00 54.99 2jsc n GLN 91 Cb 0.10 -0.37 -0.02 0.00 -4.06 0.00 0.00 30.24 25.89 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 -1.67 1.34 0.00 1.69 3.14 -1.26 -4.66 118.33 116.91 2jsc n VAL 92 Ca 0.00 -0.41 0.00 0.00 -2.96 0.00 0.00 64.34 60.97 2jsc n VAL 92 Cb 0.00 -1.39 0.00 0.00 -1.06 0.00 0.00 33.84 31.39 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 1.85 0.00 0.00 1.55 0.31 -1.26 -4.06 118.33 116.72 2jsc n VAL 93 Ca 0.04 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.37 2jsc n VAL 93 Cb 0.35 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.28 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 -4.53 7.52 7.94 -1.26 -5.03 117.00 121.64 2jsc n LEU 94 Ca 0.00 0.00 -0.44 0.00 -1.11 0.00 0.00 56.01 54.46 2jsc n LEU 94 Cb 0.00 0.00 -0.05 0.00 0.53 0.00 0.00 43.42 43.90 2jsc n LEU 94 CO 0.00 0.00 1.91 0.00 -1.11 0.00 0.00 177.39 178.19 2jsc n ALA 95 N 0.00 1.19 -0.81 1.96 0.00 -1.26 -4.98 120.51 116.62 2jsc n ALA 95 Ca 0.00 -0.36 -0.32 0.00 0.00 0.00 0.00 53.44 52.76 2jsc n ALA 95 Cb 0.00 -2.82 0.15 0.00 0.00 0.00 0.00 19.45 16.78 2jsc n ALA 95 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2jsc n VAL 96 N 7.61 0.57 0.54 0.00 0.31 -1.26 -4.97 118.33 121.14 2jsc n VAL 96 Ca 0.38 -0.09 0.02 0.00 -0.01 0.00 0.00 64.34 64.65 2jsc n VAL 96 Cb 0.37 -1.00 0.12 0.00 -0.91 0.00 0.00 33.84 32.41 2jsc n VAL 96 CO 0.00 0.00 0.00 -0.90 -1.32 0.00 0.00 176.83 174.61 2jsc n ASP 97 N -3.57 2.26 -4.55 4.52 5.75 -1.26 -4.81 116.55 114.88 2jsc n ASP 97 Ca 0.12 -2.24 -0.38 0.00 -0.01 0.00 0.00 54.79 52.27 2jsc n ASP 97 Cb 0.52 -0.51 -0.03 0.00 -1.03 0.00 0.00 41.12 40.07 2jsc n ASP 97 CO 0.00 0.00 0.00 0.42 -0.11 0.00 0.00 177.20 177.51 2jsc s THR 98 N -1.54 3.60 -0.37 2.12 -4.23 -1.26 -4.71 115.64 109.25 2jsc s THR 98 Ca 0.16 0.04 -0.04 0.00 -1.18 0.00 0.00 61.69 60.67 2jsc s THR 98 Cb 0.12 -4.51 0.02 0.00 1.34 0.00 0.00 72.50 69.47 2jsc s THR 98 CO 0.05 -1.45 2.87 -0.67 -0.54 0.00 0.00 174.62 174.88 2jsc n ASP 99 N 11.00 6.26 -3.32 3.99 -0.08 -1.26 -4.95 116.55 128.19 2jsc n ASP 99 Ca 0.19 -3.07 -0.10 0.00 -1.51 0.00 0.00 54.79 50.29 2jsc n ASP 99 Cb 0.50 -1.25 0.02 0.00 2.34 0.00 0.00 41.12 42.73 2jsc n ASP 99 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2jsc n GLN 100 N 1.12 0.91 -2.02 -0.67 1.13 -1.26 -5.11 117.38 111.48 2jsc n GLN 100 Ca 0.46 -1.47 -0.36 0.00 -1.94 0.00 0.00 57.00 53.70 2jsc n GLN 100 Cb 0.61 -0.02 0.03 0.00 0.11 0.00 0.00 30.24 30.97 2jsc n GLN 100 CO 0.00 0.00 0.00 -1.25 -1.44 0.00 0.00 177.06 174.37 2jsc s PRO 101 N -3.14 3.02 1.27 -1.09 0.04 -1.26 -5.00 135.00 128.83 2jsc s PRO 101 Ca 0.23 1.84 -0.16 0.00 0.04 0.00 0.00 61.00 62.95 2jsc s PRO 101 Cb -0.02 -1.96 0.32 0.00 0.04 0.00 0.00 34.50 32.88 2jsc s PRO 101 CO 0.15 -1.17 0.99 0.00 0.04 0.00 0.00 177.00 177.00 2jsc h VAL 103 N -2.95 0.00 0.00 0.00 2.07 -2.00 -1.58 116.25 111.79 2jsc h VAL 103 Ca -0.57 -0.47 -0.09 0.00 0.82 0.00 0.00 66.70 66.39 2jsc h VAL 103 Cb 1.34 1.37 -0.01 0.00 -1.52 0.00 0.00 31.29 32.47 2jsc h VAL 103 CO 0.43 0.00 -0.45 0.00 0.02 0.00 0.00 177.57 177.58 2jsc h ALA 104 N 2.17 0.71 -3.00 1.67 0.00 -2.04 -3.43 119.26 115.34 2jsc h ALA 104 Ca 0.00 -0.41 0.00 0.00 0.00 0.00 0.00 54.91 54.50 2jsc h ALA 104 Cb 0.55 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.27 2jsc h ALA 104 CO 0.00 0.56 0.00 0.39 0.00 0.00 0.00 179.25 180.20 2jsc n GLU 105 N -3.21 0.00 0.00 0.00 1.02 -0.76 -5.25 120.64 112.43 2jsc n GLU 105 Ca 0.02 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.16 2jsc n GLU 105 Cb 0.71 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 32.13 2jsc n GLU 105 CO 0.00 0.00 0.00 2.89 1.18 0.00 0.00 177.13 181.20