#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 0.42 -1.09 0.00 5.85 -2.08 0.24 115.31 118.65 2jsc h LEU 11 Ca 0.00 0.01 0.24 0.00 0.84 0.00 0.00 57.88 58.97 2jsc h LEU 11 Cb 0.00 -0.08 -0.11 0.00 0.37 0.00 0.00 40.66 40.84 2jsc h LEU 11 CO 0.00 0.25 0.62 0.00 -0.34 0.00 0.00 178.44 178.97 2jsc h ALA 12 N 1.68 1.88 0.00 1.25 0.00 -2.07 -1.86 119.26 120.14 2jsc h ALA 12 Ca 0.29 0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.30 2jsc h ALA 12 Cb 0.51 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.31 2jsc h ALA 12 CO -0.09 -0.32 0.00 -2.13 0.00 0.00 0.00 179.25 176.71 2jsc n ARG 13 N -4.80 0.16 0.14 0.00 0.00 0.07 -1.22 116.66 111.02 2jsc n ARG 13 Ca 0.26 0.55 -0.09 0.00 -0.00 0.00 0.00 57.85 58.57 2jsc n ARG 13 Cb 0.75 -1.93 -0.05 0.00 0.00 0.00 0.00 32.46 31.23 2jsc n ARG 13 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.63 178.88 2jsc h LEU 14 N 0.00 -0.37 -1.76 6.15 7.12 -1.46 -3.36 115.31 121.64 2jsc h LEU 14 Ca 0.00 -0.11 0.07 0.00 0.13 0.00 0.00 57.88 57.97 2jsc h LEU 14 Cb 0.14 0.10 -0.02 0.00 -0.53 0.00 0.00 40.66 40.35 2jsc h LEU 14 CO 0.00 0.09 0.29 1.23 -0.13 0.00 0.00 178.44 179.92 2jsc h GLY 15 N -1.04 0.37 2.00 3.75 0.00 -1.28 0.15 103.07 107.02 2jsc h GLY 15 Ca -0.04 -0.12 -0.02 0.00 0.00 0.00 0.00 47.33 47.15 2jsc h GLY 15 CO 0.07 0.09 -0.08 -0.09 0.00 0.00 0.00 176.54 176.53 2jsc h ARG 16 N 0.30 0.00 0.00 4.80 1.12 -1.69 0.28 114.38 119.19 2jsc h ARG 16 Ca 0.19 0.00 0.00 0.00 -1.11 0.00 0.00 59.98 59.06 2jsc h ARG 16 Cb 0.37 0.00 0.00 0.00 -0.01 0.00 0.00 29.97 30.33 2jsc h ARG 16 CO -0.04 0.08 -0.07 0.00 -3.11 0.00 0.00 179.97 176.84 2jsc h ALA 17 N 1.92 0.96 0.00 2.80 0.00 -0.85 -3.28 119.26 120.81 2jsc h ALA 17 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2jsc h ALA 17 Cb 0.44 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.23 2jsc h ALA 17 CO 0.01 0.00 -1.65 1.28 0.00 0.00 0.00 179.25 178.89 2jsc n LEU 18 N -2.62 0.15 -0.28 0.00 4.32 -0.56 -4.63 117.00 113.38 2jsc n LEU 18 Ca 0.05 -0.09 0.00 0.00 -0.02 0.00 0.00 56.01 55.94 2jsc n LEU 18 Cb 0.48 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.28 2jsc n LEU 18 CO 0.33 0.04 0.10 0.00 -1.22 0.00 0.00 177.39 176.64 2jsc n ALA 19 N -2.00 1.59 -2.85 -1.18 0.00 0.89 -3.99 120.51 112.97 2jsc n ALA 19 Ca -0.02 0.00 -0.33 0.00 0.00 0.00 0.00 53.44 53.09 2jsc n ALA 19 Cb 0.44 -1.00 -0.06 0.00 0.00 0.00 0.00 19.45 18.83 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 -1.15 6.06 0.00 0.00 1.11 -1.26 -5.03 116.67 116.40 2jsc s ASP 20 Ca 0.00 0.27 0.00 0.00 0.18 0.00 0.00 52.55 53.00 2jsc s ASP 20 Cb 0.00 -1.84 0.00 0.00 1.07 0.00 0.00 42.92 42.15 2jsc s ASP 20 CO 0.00 0.28 0.22 -0.81 1.18 0.00 0.00 175.17 176.04 2jsc n PRO 21 N 1.12 0.00 -0.33 8.23 -0.04 -1.26 -1.17 135.00 141.56 2jsc n PRO 21 Ca -0.12 0.00 0.23 0.00 -0.04 0.00 0.00 63.50 63.56 2jsc n PRO 21 Cb 0.53 -0.69 0.46 0.00 -0.04 0.00 0.00 33.50 33.75 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 0.28 -0.02 0.52 2.02 -1.98 -3.08 112.91 110.64 2jsc h THR 22 Ca 0.00 -0.10 -0.18 0.00 0.77 0.00 0.00 66.41 66.91 2jsc h THR 22 Cb 0.00 -0.03 -0.01 0.00 -1.74 0.00 0.00 68.15 66.37 2jsc h THR 22 CO 0.00 0.05 -0.78 -0.09 0.37 0.00 0.00 175.52 175.07 2jsc h ARG 23 N 0.28 0.20 -0.78 6.66 2.43 -1.92 0.11 114.38 121.36 2jsc h ARG 23 Ca 0.72 -0.19 -0.05 0.00 -0.81 0.00 0.00 59.98 59.65 2jsc h ARG 23 Cb 1.63 0.05 -0.03 0.00 -0.42 0.00 0.00 29.97 31.19 2jsc h ARG 23 CO -0.63 0.88 0.30 0.00 -1.51 0.00 0.00 179.97 179.01 2jsc h ARG 25 N 1.14 1.12 -0.37 0.00 3.08 -1.48 -0.94 114.38 116.92 2jsc h ARG 25 Ca 0.26 -0.30 0.07 0.00 0.07 0.00 0.00 59.98 60.08 2jsc h ARG 25 Cb 0.24 -0.13 -0.09 0.00 0.08 0.00 0.00 29.97 30.07 2jsc h ARG 25 CO -0.02 1.02 -0.41 0.82 -1.07 0.00 0.00 179.97 180.31 2jsc h ILE 26 N 1.04 0.13 -0.54 2.04 2.04 -0.62 -1.01 117.51 120.59 2jsc h ILE 26 Ca 0.20 0.00 0.00 0.00 1.00 0.00 0.00 64.86 66.07 2jsc h ILE 26 Cb 0.44 0.13 -0.03 0.00 -0.74 0.00 0.00 36.82 36.63 2jsc h ILE 26 CO 0.01 0.00 0.36 -0.07 0.00 0.00 0.00 178.15 178.45 2jsc h LEU 27 N -0.34 0.62 -1.29 1.44 3.38 -1.12 -0.90 115.31 117.11 2jsc h LEU 27 Ca 0.14 -0.02 -0.07 0.00 0.09 0.00 0.00 57.88 58.02 2jsc h LEU 27 Cb 0.58 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.17 2jsc h LEU 27 CO -0.55 0.45 -0.26 1.62 0.09 0.00 0.00 178.44 179.79 2jsc h VAL 28 N 0.73 1.23 -0.13 1.22 3.04 -0.89 -2.36 116.25 119.08 2jsc h VAL 28 Ca 0.20 -1.06 0.00 0.00 -1.01 0.00 0.00 66.70 64.83 2jsc h VAL 28 Cb -0.08 1.45 0.00 0.00 -2.01 0.00 0.00 31.29 30.65 2jsc h VAL 28 CO -0.04 0.32 0.00 0.00 -1.01 0.00 0.00 177.57 176.83 2jsc n ALA 29 N -2.48 2.51 -0.08 3.17 0.00 -0.41 -3.10 120.51 120.12 2jsc n ALA 29 Ca -0.01 -0.31 -0.07 0.00 0.00 0.00 0.00 53.44 53.04 2jsc n ALA 29 Cb 0.35 -1.08 -0.15 0.00 0.00 0.00 0.00 19.45 18.57 2jsc n ALA 29 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2jsc n LEU 30 N -0.10 0.00 -0.24 0.00 4.77 -0.39 -2.93 117.00 118.11 2jsc n LEU 30 Ca 0.10 0.00 -0.06 0.00 -0.03 0.00 0.00 56.01 56.02 2jsc n LEU 30 Cb 0.17 0.41 0.04 0.00 -2.33 0.00 0.00 43.42 41.72 2jsc n LEU 30 CO 0.08 0.41 1.05 -0.07 -1.33 0.00 0.00 177.39 177.53 2jsc h LEU 31 N 0.00 0.88 -7.11 2.23 3.38 -1.43 -3.35 115.31 109.91 2jsc h LEU 31 Ca -0.45 -0.13 -0.62 0.00 0.09 0.00 0.00 57.88 56.76 2jsc h LEU 31 Cb 2.03 -0.23 -0.41 0.00 0.09 0.00 0.00 40.66 42.14 2jsc h LEU 31 CO 0.02 0.77 -0.68 -0.62 0.09 0.00 0.00 178.44 178.03 2jsc s ASP 32 N -6.09 4.02 0.00 -0.43 2.15 -1.21 -4.93 116.67 110.18 2jsc s ASP 32 Ca -0.13 -3.09 0.00 0.00 0.43 0.00 0.00 52.55 49.76 2jsc s ASP 32 Cb 0.14 -1.36 0.00 0.00 -0.30 0.00 0.00 42.92 41.40 2jsc s ASP 32 CO 0.80 -0.20 0.00 0.61 -0.17 0.00 0.00 175.17 176.21 2jsc n GLY 33 N 2.96 -1.95 3.82 2.66 0.00 -1.15 -4.57 105.19 106.97 2jsc n GLY 33 Ca 0.11 0.70 -0.31 0.00 0.00 0.00 0.00 46.02 46.52 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 -0.27 0.00 0.00 1.61 0.24 -1.26 -4.86 118.33 113.79 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 -0.36 0.00 0.00 -1.47 0.00 0.00 33.84 32.01 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 -0.05 -0.20 -0.95 0.00 2.02 -1.26 -3.90 117.35 113.02 2jsc s TYR 36 Ca 0.00 0.42 0.07 0.00 -0.37 0.00 0.00 57.07 57.19 2jsc s TYR 36 Cb 0.00 0.07 0.31 0.00 -0.40 0.00 0.00 41.96 41.94 2jsc s TYR 36 CO 0.00 -0.26 1.22 -0.35 -1.57 0.00 0.00 175.55 174.59 2jsc n PRO 37 N 2.07 0.01 0.00 -1.71 -0.04 -1.26 -0.62 135.00 133.46 2jsc n PRO 37 Ca -0.18 0.41 0.08 0.00 -0.04 0.00 0.00 63.50 63.78 2jsc n PRO 37 Cb 0.57 -1.53 0.03 0.00 -0.04 0.00 0.00 33.50 32.53 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 -0.90 0.12 0.26 0.55 0.00 -1.26 -4.74 105.19 99.22 2jsc n GLY 38 Ca 0.01 -0.48 0.09 0.00 0.00 0.00 0.00 46.02 45.64 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 2.57 0.00 -0.83 1.61 -0.00 -1.28 -2.67 115.11 114.51 2jsc h GLN 39 Ca 0.00 0.00 0.24 0.00 -0.00 0.00 0.00 58.65 58.89 2jsc h GLN 39 Cb 0.63 0.00 -0.03 0.00 -0.00 0.00 0.00 27.48 28.08 2jsc h GLN 39 CO 0.00 0.02 0.68 -0.07 -0.00 0.00 0.00 178.83 179.47 2jsc h LEU 40 N 0.00 0.00 -0.36 0.06 3.38 -1.85 -1.81 115.31 114.73 2jsc h LEU 40 Ca -0.00 0.00 -0.19 0.00 0.09 0.00 0.00 57.88 57.78 2jsc h LEU 40 Cb 0.04 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.78 2jsc h LEU 40 CO 0.00 0.00 -0.81 0.00 0.09 0.00 0.00 178.44 177.72 2jsc h ALA 41 N 1.41 0.59 0.15 1.53 0.00 -1.65 0.18 119.26 121.48 2jsc h ALA 41 Ca 0.39 -0.68 -0.30 0.00 0.00 0.00 0.00 54.91 54.32 2jsc h ALA 41 Cb 1.76 -0.07 0.01 0.00 0.00 0.00 0.00 17.79 19.48 2jsc h ALA 41 CO -0.00 0.87 -1.43 0.00 0.00 0.00 0.00 179.25 178.68 2jsc h ALA 42 N 1.01 0.11 -0.03 0.00 0.00 -1.62 -2.64 119.26 116.09 2jsc h ALA 42 Ca -0.04 -0.98 -0.15 0.00 0.00 0.00 0.00 54.91 53.74 2jsc h ALA 42 Cb 1.41 0.17 -0.02 0.00 0.00 0.00 0.00 17.79 19.36 2jsc h ALA 42 CO 0.13 0.98 -0.69 1.25 0.00 0.00 0.00 179.25 180.92 2jsc h HIS 43 N 0.09 0.17 0.00 0.00 6.17 -1.22 -3.07 115.15 117.29 2jsc h HIS 43 Ca -0.21 -0.08 0.00 0.00 0.71 0.00 0.00 60.37 60.79 2jsc h HIS 43 Cb 2.04 -0.03 0.00 0.00 2.52 0.00 0.00 27.41 31.94 2jsc h HIS 43 CO 0.08 0.77 -1.56 1.28 0.71 0.00 0.00 177.93 179.21 2jsc n LEU 44 N -3.77 0.36 0.00 0.26 4.77 0.63 -4.99 117.00 114.26 2jsc n LEU 44 Ca -0.02 0.10 0.00 0.00 -0.03 0.00 0.00 56.01 56.06 2jsc n LEU 44 Cb 0.67 -0.03 0.00 0.00 -2.33 0.00 0.00 43.42 41.74 2jsc n LEU 44 CO 0.44 -0.06 0.00 0.61 -1.33 0.00 0.00 177.39 177.05 2jsc n GLY 45 N 1.24 1.32 3.73 -0.72 0.00 -1.00 -5.01 105.19 104.76 2jsc n GLY 45 Ca -0.02 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.59 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 4.43 0.53 0.99 2.01 -1.20 -4.94 118.68 120.51 2jsc s LEU 46 Ca 0.00 2.14 -0.22 0.00 0.01 0.00 0.00 54.13 56.06 2jsc s LEU 46 Cb 0.00 -3.60 -0.05 0.00 0.01 0.00 0.00 46.19 42.55 2jsc s LEU 46 CO 0.00 -0.37 1.36 0.28 1.01 0.00 0.00 176.35 178.63 2jsc s THR 47 N 0.24 2.09 0.53 5.49 -1.32 -1.26 -4.26 115.64 117.16 2jsc s THR 47 Ca 0.54 0.07 0.25 0.00 -1.21 0.00 0.00 61.69 61.34 2jsc s THR 47 Cb -0.31 -3.04 0.39 0.00 -1.51 0.00 0.00 72.50 68.03 2jsc s THR 47 CO 0.34 0.00 2.01 0.08 -2.21 0.00 0.00 174.62 174.84 2jsc h ARG 48 N 1.55 0.00 -0.09 7.08 -0.00 -1.94 0.11 114.38 121.10 2jsc h ARG 48 Ca -0.51 0.00 -0.01 0.00 -0.00 0.00 0.00 59.98 59.46 2jsc h ARG 48 Cb 1.30 0.00 -0.00 0.00 -0.00 0.00 0.00 29.97 31.26 2jsc h ARG 48 CO 0.58 0.00 0.03 0.77 -0.00 0.00 0.00 179.97 181.35 2jsc h SER 49 N 0.00 0.14 -0.27 0.08 0.02 -1.98 0.54 113.55 112.06 2jsc h SER 49 Ca 0.23 -0.19 -0.02 0.00 -0.84 0.00 0.00 61.79 60.96 2jsc h SER 49 Cb 0.94 -0.04 -0.01 0.00 0.14 0.00 0.00 62.40 63.43 2jsc h SER 49 CO -0.00 0.29 0.07 -1.13 -1.14 0.00 0.00 176.83 174.93 2jsc h ASN 50 N -0.03 0.41 -0.62 3.07 -0.73 -1.21 -0.73 115.58 115.73 2jsc h ASN 50 Ca 0.03 -0.22 0.06 0.00 1.87 0.00 0.00 56.30 58.04 2jsc h ASN 50 Cb 0.20 -0.11 -0.05 0.00 0.27 0.00 0.00 38.32 38.63 2jsc h ASN 50 CO -0.00 0.52 0.33 0.58 -0.37 0.00 0.00 177.43 178.49 2jsc h VAL 51 N 0.28 0.95 -0.44 2.57 2.07 -1.06 -2.56 116.25 118.05 2jsc h VAL 51 Ca 0.09 -0.21 -0.12 0.00 0.82 0.00 0.00 66.70 67.28 2jsc h VAL 51 Cb 0.27 0.28 -0.02 0.00 -1.52 0.00 0.00 31.29 30.30 2jsc h VAL 51 CO -0.00 0.11 -0.19 0.77 0.02 0.00 0.00 177.57 178.28 2jsc h SER 52 N 0.62 0.88 0.04 0.57 4.64 -0.54 -0.25 113.55 119.50 2jsc h SER 52 Ca 0.28 -0.31 0.02 0.00 -0.47 0.00 0.00 61.79 61.31 2jsc h SER 52 Cb 0.19 -0.24 -0.02 0.00 -0.31 0.00 0.00 62.40 62.01 2jsc h SER 52 CO -0.18 1.05 -0.14 -1.13 -0.87 0.00 0.00 176.83 175.55 2jsc h ASN 53 N 0.76 -0.40 0.75 4.97 -1.24 -0.98 -0.13 115.58 119.32 2jsc h ASN 53 Ca 0.11 0.05 -0.10 0.00 0.71 0.00 0.00 56.30 57.08 2jsc h ASN 53 Cb 0.72 0.16 -0.01 0.00 0.73 0.00 0.00 38.32 39.92 2jsc h ASN 53 CO 0.06 -0.20 -0.46 0.45 -1.29 0.00 0.00 177.43 175.98 2jsc h HIS 54 N -0.25 0.00 -0.16 0.67 3.86 -1.39 -2.72 115.15 115.15 2jsc h HIS 54 Ca 0.04 0.00 -0.10 0.00 -1.16 0.00 0.00 60.37 59.15 2jsc h HIS 54 Cb 0.30 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.75 2jsc h HIS 54 CO -0.18 0.46 -0.33 -0.07 0.86 0.00 0.00 177.93 178.68 2jsc h LEU 55 N 0.00 0.33 -1.55 2.43 3.38 -0.73 -3.14 115.31 116.04 2jsc h LEU 55 Ca -0.00 -0.12 0.02 0.00 0.09 0.00 0.00 57.88 57.86 2jsc h LEU 55 Cb 0.96 -0.09 -0.03 0.00 0.09 0.00 0.00 40.66 41.60 2jsc h LEU 55 CO 0.06 0.64 0.32 0.28 0.09 0.00 0.00 178.44 179.84 2jsc h SER 56 N 0.28 0.52 -0.00 -0.43 0.02 -0.69 0.07 113.55 113.32 2jsc h SER 56 Ca 0.04 -0.01 -0.19 0.00 -0.84 0.00 0.00 61.79 60.79 2jsc h SER 56 Cb 0.71 -0.13 0.01 0.00 0.14 0.00 0.00 62.40 63.14 2jsc h SER 56 CO 0.05 0.37 -0.72 0.00 -1.14 0.00 0.00 176.83 175.39 2jsc h LEU 58 N 0.03 0.93 0.00 0.00 5.85 -1.35 0.13 115.31 120.91 2jsc h LEU 58 Ca -0.09 -0.50 0.00 0.00 0.84 0.00 0.00 57.88 58.13 2jsc h LEU 58 Cb 1.42 -0.27 0.00 0.00 0.37 0.00 0.00 40.66 42.18 2jsc h LEU 58 CO 0.14 1.29 0.00 0.54 -0.34 0.00 0.00 178.44 180.07 2jsc n ARG 59 N -4.00 0.15 -0.13 1.25 1.74 -0.05 -1.98 116.66 113.65 2jsc n ARG 59 Ca -0.04 0.12 -0.18 0.00 -0.77 0.00 0.00 57.85 56.97 2jsc n ARG 59 Cb 0.63 -1.50 -0.12 0.00 -1.02 0.00 0.00 32.46 30.45 2jsc n ARG 59 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2jsc n GLY 60 N 0.57 -0.36 0.00 -0.13 0.00 -0.87 -4.31 105.19 100.08 2jsc n GLY 60 Ca 0.07 -0.17 0.11 0.00 0.00 0.00 0.00 46.02 46.04 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 0.51 0.74 0.27 0.00 0.00 -0.84 -4.89 105.19 100.97 2jsc n GLY 62 Ca 0.16 0.00 0.17 0.00 0.00 0.00 0.00 46.02 46.35 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 -8.31 0.99 3.38 -1.76 -3.43 115.31 106.18 2jsc h LEU 63 Ca 0.00 0.00 -0.54 0.00 0.09 0.00 0.00 57.88 57.43 2jsc h LEU 63 Cb 0.04 0.00 -0.29 0.00 0.09 0.00 0.00 40.66 40.50 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 -3.61 1.34 -0.01 1.22 -7.23 -1.21 -1.26 120.40 109.63 2jsc s VAL 64 Ca 0.02 -0.75 -0.02 0.00 -1.81 0.00 0.00 61.98 59.42 2jsc s VAL 64 Cb 0.08 -1.12 0.00 0.00 0.56 0.00 0.00 36.38 35.90 2jsc s VAL 64 CO 0.56 0.36 0.04 -0.69 -0.31 0.00 0.00 175.10 175.06 2jsc s VAL 65 N -0.43 0.02 0.21 1.32 1.01 -0.18 -4.45 120.40 117.89 2jsc s VAL 65 Ca 0.06 -0.19 -0.12 0.00 0.00 0.00 0.00 61.98 61.73 2jsc s VAL 65 Cb -0.07 -0.13 -0.07 0.00 0.00 0.00 0.00 36.38 36.11 2jsc s VAL 65 CO -0.01 -0.10 0.57 0.00 0.00 0.00 0.00 175.10 175.56 2jsc s ALA 66 N -0.30 3.55 0.36 5.51 0.00 -1.26 -0.20 121.76 129.42 2jsc s ALA 66 Ca -0.04 -0.19 0.05 0.00 0.00 0.00 0.00 51.96 51.79 2jsc s ALA 66 Cb -0.02 -2.50 -0.03 0.00 0.00 0.00 0.00 23.12 20.57 2jsc s ALA 66 CO -0.00 0.47 0.21 0.95 0.00 0.00 0.00 175.76 177.39 2jsc s THR 67 N -1.69 0.26 -0.17 0.00 -4.23 -1.08 -4.95 115.64 103.77 2jsc s THR 67 Ca 0.44 -2.00 -0.14 0.00 -1.18 0.00 0.00 61.69 58.81 2jsc s THR 67 Cb -0.13 -2.42 -0.05 0.00 1.34 0.00 0.00 72.50 71.25 2jsc s THR 67 CO 0.20 0.00 0.30 -0.47 -0.54 0.00 0.00 174.62 174.11 2jsc s TYR 68 N -3.36 3.43 -0.21 3.99 5.04 -1.26 -0.20 117.35 124.78 2jsc s TYR 68 Ca 0.33 0.57 0.28 0.00 -2.44 0.00 0.00 57.07 55.81 2jsc s TYR 68 Cb 0.02 -2.37 0.87 0.00 0.35 0.00 0.00 41.96 40.83 2jsc s TYR 68 CO 0.21 0.18 1.80 1.05 -1.34 0.00 0.00 175.55 177.44 2jsc h GLU 69 N 6.88 0.00 0.00 4.97 -0.00 -0.97 -3.45 114.58 122.00 2jsc h GLU 69 Ca -0.40 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 58.96 2jsc h GLU 69 Cb 1.16 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 29.91 2jsc h GLU 69 CO 0.74 0.00 0.00 0.41 -0.00 0.00 0.00 179.01 180.16 2jsc n GLY 70 N 0.57 3.76 0.13 1.06 0.00 -1.26 -4.86 105.19 104.58 2jsc n GLY 70 Ca 0.02 -0.99 -0.19 0.00 0.00 0.00 0.00 46.02 44.87 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 0.00 0.72 -3.26 1.61 0.00 -1.26 -5.04 116.66 109.44 2jsc n ARG 71 Ca 0.00 0.24 -0.11 0.00 -0.00 0.00 0.00 57.85 57.98 2jsc n ARG 71 Cb 0.00 -1.69 -0.04 0.00 0.00 0.00 0.00 32.46 30.73 2jsc n ARG 71 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.63 178.67 2jsc n GLN 72 N -3.36 0.29 -2.55 -0.14 3.00 -1.26 -5.16 117.38 108.20 2jsc n GLN 72 Ca -0.32 -1.92 -0.33 0.00 -0.01 0.00 0.00 57.00 54.42 2jsc n GLN 72 Cb 1.04 1.64 -0.04 0.00 0.00 0.00 0.00 30.24 32.88 2jsc n GLN 72 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.06 177.20 2jsc s VAL 73 N -2.77 4.14 0.17 5.09 -7.23 -1.26 -0.37 120.40 118.17 2jsc s VAL 73 Ca 0.22 1.23 0.00 0.00 -1.81 0.00 0.00 61.98 61.63 2jsc s VAL 73 Cb 0.01 -3.54 -0.00 0.00 0.56 0.00 0.00 36.38 33.40 2jsc s VAL 73 CO 0.16 -0.39 0.00 -2.11 -0.31 0.00 0.00 175.10 172.46 2jsc n ARG 74 N -1.10 1.51 -3.95 4.82 1.85 0.72 -4.04 116.66 116.48 2jsc n ARG 74 Ca 0.08 -1.27 -0.09 0.00 -1.00 0.00 0.00 57.85 55.57 2jsc n ARG 74 Cb 0.53 0.37 -0.08 0.00 -1.05 0.00 0.00 32.46 32.23 2jsc n ARG 74 CO 0.00 0.00 0.00 1.52 -0.01 0.00 0.00 177.63 179.14 2jsc s TYR 75 N -1.67 0.32 -0.01 2.89 1.13 -1.26 -2.62 117.35 116.14 2jsc s TYR 75 Ca 0.01 -0.76 -0.29 0.00 -1.41 0.00 0.00 57.07 54.62 2jsc s TYR 75 Cb 0.00 -0.16 0.10 0.00 -1.10 0.00 0.00 41.96 40.80 2jsc s TYR 75 CO 0.00 -0.54 0.88 0.00 -2.51 0.00 0.00 175.55 173.39 2jsc s ALA 76 N -3.91 -1.82 0.33 9.51 0.00 0.72 -4.14 121.76 122.45 2jsc s ALA 76 Ca 0.09 1.02 -0.29 0.00 0.00 0.00 0.00 51.96 52.78 2jsc s ALA 76 Cb 0.05 0.38 -0.11 0.00 0.00 0.00 0.00 23.12 23.45 2jsc s ALA 76 CO -0.08 -0.67 1.54 -0.51 0.00 0.00 0.00 175.76 176.04 2jsc s LEU 77 N -2.42 4.34 0.59 0.00 2.01 -1.26 -1.01 118.68 120.91 2jsc s LEU 77 Ca 0.04 2.98 0.33 0.00 0.01 0.00 0.00 54.13 57.50 2jsc s LEU 77 Cb -0.01 -3.65 1.83 0.00 0.01 0.00 0.00 46.19 44.37 2jsc s LEU 77 CO -0.09 -0.89 2.21 0.00 1.01 0.00 0.00 176.35 178.59 2jsc h ALA 78 N 4.11 1.27 -2.97 4.21 0.00 -1.44 -3.44 119.26 120.99 2jsc h ALA 78 Ca -0.49 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.38 2jsc h ALA 78 Cb 1.23 -0.01 -0.11 0.00 0.00 0.00 0.00 17.79 18.90 2jsc h ALA 78 CO 0.73 0.05 0.18 0.34 0.00 0.00 0.00 179.25 180.55 2jsc s ASP 79 N -5.87 -0.48 0.45 0.00 2.15 -1.26 -5.00 116.67 106.65 2jsc s ASP 79 Ca -0.04 -0.14 0.31 0.00 0.43 0.00 0.00 52.55 53.10 2jsc s ASP 79 Cb 0.13 0.61 1.42 0.00 -0.30 0.00 0.00 42.92 44.78 2jsc s ASP 79 CO 0.52 -1.02 1.64 0.77 -0.17 0.00 0.00 175.17 176.92 2jsc h SER 80 N 2.04 0.24 -0.25 -0.34 4.64 -1.97 -1.69 113.55 116.21 2jsc h SER 80 Ca -0.32 0.12 0.03 0.00 -0.47 0.00 0.00 61.79 61.15 2jsc h SER 80 Cb 1.29 0.10 -0.03 0.00 -0.31 0.00 0.00 62.40 63.45 2jsc h SER 80 CO 0.37 -0.14 0.05 0.45 -0.87 0.00 0.00 176.83 176.68 2jsc h HIS 81 N 0.11 0.08 -0.11 4.77 3.86 -1.98 0.14 115.15 122.02 2jsc h HIS 81 Ca 0.80 0.02 -0.04 0.00 -1.16 0.00 0.00 60.37 59.98 2jsc h HIS 81 Cb 2.54 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 31.01 2jsc h HIS 81 CO -0.00 0.02 -0.10 -0.07 0.86 0.00 0.00 177.93 178.63 2jsc h LEU 82 N 0.14 0.28 -1.54 2.43 3.38 -1.72 -2.74 115.31 115.54 2jsc h LEU 82 Ca 0.11 -0.48 0.00 0.00 0.09 0.00 0.00 57.88 57.61 2jsc h LEU 82 Cb 0.12 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 40.79 2jsc h LEU 82 CO -0.15 0.70 0.21 0.00 0.09 0.00 0.00 178.44 179.28 2jsc h ALA 83 N 0.59 1.17 0.01 1.53 0.00 -1.36 -0.97 119.26 120.23 2jsc h ALA 83 Ca 0.02 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.93 2jsc h ALA 83 Cb 0.62 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.41 2jsc h ALA 83 CO 0.03 -0.17 -0.01 -0.09 0.00 0.00 0.00 179.25 179.01 2jsc h ARG 84 N 0.00 -0.02 -0.22 0.00 9.65 -0.40 -2.35 114.38 121.04 2jsc h ARG 84 Ca 0.00 0.00 -0.02 0.00 -1.10 0.00 0.00 59.98 58.86 2jsc h ARG 84 Cb 0.42 0.00 -0.01 0.00 -1.39 0.00 0.00 29.97 28.99 2jsc h ARG 84 CO 0.00 -0.01 0.06 0.00 2.80 0.00 0.00 179.97 182.82 2jsc h ALA 85 N -1.71 1.68 -0.13 2.80 0.00 -1.48 0.24 119.26 120.67 2jsc h ALA 85 Ca -0.00 -0.09 -0.10 0.00 0.00 0.00 0.00 54.91 54.72 2jsc h ALA 85 Cb 0.01 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 2jsc h ALA 85 CO 0.00 0.25 -0.36 1.25 0.00 0.00 0.00 179.25 180.39 2jsc h LEU 86 N 0.31 0.27 0.12 0.00 5.85 -1.36 -3.27 115.31 117.23 2jsc h LEU 86 Ca 0.08 -0.10 -0.32 0.00 0.84 0.00 0.00 57.88 58.37 2jsc h LEU 86 Cb 0.12 -0.07 -0.01 0.00 0.37 0.00 0.00 40.66 41.07 2jsc h LEU 86 CO -0.00 0.62 -1.67 1.23 -0.34 0.00 0.00 178.44 178.27 2jsc h GLY 87 N 1.13 0.28 1.98 3.75 0.00 -0.03 -3.21 103.07 106.97 2jsc h GLY 87 Ca 0.03 -0.73 0.00 0.00 0.00 0.00 0.00 47.33 46.63 2jsc h GLY 87 CO 0.06 0.64 0.00 -1.84 0.00 0.00 0.00 176.54 175.39 2jsc n GLU 88 N -3.43 0.02 -1.04 4.80 0.00 -0.21 -5.04 120.64 115.74 2jsc n GLU 88 Ca -0.20 0.10 0.00 0.00 0.00 0.00 0.00 57.16 57.06 2jsc n GLU 88 Cb 1.05 -1.50 0.00 0.00 0.00 0.00 0.00 31.44 30.99 2jsc n GLU 88 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.13 177.02 2jsc n LEU 89 N -1.49 -1.66 -0.47 -1.84 0.00 -1.22 -4.61 117.00 105.72 2jsc n LEU 89 Ca 0.06 1.98 0.00 0.00 0.00 0.00 0.00 56.01 58.05 2jsc n LEU 89 Cb 0.26 -1.65 0.00 0.00 0.00 0.00 0.00 43.42 42.04 2jsc n LEU 89 CO 0.21 0.11 0.13 1.33 0.00 0.00 0.00 177.39 179.17 2jsc n VAL 90 N -1.22 0.00 0.00 1.96 0.24 -1.25 -4.79 118.33 113.27 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 0.07 -0.24 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 0.21 0.00 -0.12 7.34 1.13 -1.26 -4.82 117.38 119.86 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 0.11 -1.67 0.00 0.00 0.11 0.00 0.00 30.24 28.79 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 -1.94 0.66 -0.86 5.09 3.14 -1.26 -4.63 118.33 118.52 2jsc n VAL 92 Ca 0.00 -0.12 0.00 0.00 -2.96 0.00 0.00 64.34 61.26 2jsc n VAL 92 Cb 0.00 -0.99 0.00 0.00 -1.06 0.00 0.00 33.84 31.79 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 1.35 0.00 -0.16 1.55 0.31 -1.26 -4.02 118.33 116.11 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 0.21 -0.40 0.00 0.00 -0.91 0.00 0.00 33.84 32.74 2jsc n VAL 93 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 2jsc n LEU 94 N 0.00 -0.27 -3.35 7.52 4.32 -1.26 -4.98 117.00 118.98 2jsc n LEU 94 Ca 0.00 0.00 -0.30 0.00 -0.02 0.00 0.00 56.01 55.69 2jsc n LEU 94 Cb 0.13 -0.13 -0.06 0.00 -1.62 0.00 0.00 43.42 41.74 2jsc n LEU 94 CO 0.00 0.00 1.61 0.00 -1.22 0.00 0.00 177.39 177.78 2jsc n ALA 95 N 1.82 1.92 -1.64 -1.18 0.00 -1.26 -4.95 120.51 115.23 2jsc n ALA 95 Ca 0.00 -2.03 -0.44 0.00 0.00 0.00 0.00 53.44 50.97 2jsc n ALA 95 Cb 0.00 -3.30 -0.02 0.00 0.00 0.00 0.00 19.45 16.13 2jsc n ALA 95 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 2jsc n VAL 96 N 5.89 1.64 0.17 0.00 0.24 -1.26 -4.87 118.33 120.14 2jsc n VAL 96 Ca 0.35 -0.41 0.08 0.00 -2.04 0.00 0.00 64.34 62.32 2jsc n VAL 96 Cb 0.27 -1.25 0.59 0.00 -1.47 0.00 0.00 33.84 31.98 2jsc n VAL 96 CO 0.00 0.00 0.00 0.44 -2.14 0.00 0.00 176.83 175.13 2jsc h ASP 97 N 2.80 0.11 -3.91 -1.34 5.19 -2.05 -3.48 116.42 113.74 2jsc h ASP 97 Ca -0.43 -0.00 0.02 0.00 -0.62 0.00 0.00 57.03 56.00 2jsc h ASP 97 Cb 1.31 -0.03 -0.01 0.00 0.18 0.00 0.00 39.33 40.78 2jsc h ASP 97 CO 0.66 0.08 -0.49 0.41 -3.12 0.00 0.00 179.24 176.77 2jsc n THR 98 N -4.51 -1.27 1.56 0.35 -1.04 -1.26 -4.76 114.28 103.35 2jsc n THR 98 Ca -0.00 0.67 0.13 0.00 -2.04 0.00 0.00 64.05 62.81 2jsc n THR 98 Cb 0.14 -1.11 0.57 0.00 -1.82 0.00 0.00 70.33 68.12 2jsc n THR 98 CO 0.00 0.00 0.00 -0.90 -0.64 0.00 0.00 175.07 173.53 2jsc n ASP 99 N -2.20 1.15 -4.85 8.00 5.75 -1.26 -4.97 116.55 118.17 2jsc n ASP 99 Ca -0.01 -1.45 -0.34 0.00 -0.01 0.00 0.00 54.79 52.98 2jsc n ASP 99 Cb 0.25 -0.02 -0.06 0.00 -1.03 0.00 0.00 41.12 40.26 2jsc n ASP 99 CO 0.00 0.00 0.00 -1.10 -0.11 0.00 0.00 177.20 175.99 2jsc s GLN 100 N -1.95 3.92 -0.14 0.11 1.11 -1.26 -5.01 119.66 116.44 2jsc s GLN 100 Ca 0.38 0.43 0.11 0.00 0.01 0.00 0.00 55.36 56.29 2jsc s GLN 100 Cb 0.20 -2.81 0.58 0.00 -1.01 0.00 0.00 33.01 29.96 2jsc s GLN 100 CO 0.31 0.41 1.41 -0.35 0.01 0.00 0.00 175.29 177.08 2jsc n PRO 101 N 0.42 3.53 -1.24 2.91 -0.04 -1.26 -4.45 135.00 134.87 2jsc n PRO 101 Ca -0.03 -2.23 -0.29 0.00 -0.04 0.00 0.00 63.50 60.91 2jsc n PRO 101 Cb 0.52 -1.93 0.19 0.00 -0.04 0.00 0.00 33.50 32.24 2jsc n PRO 101 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2jsc h VAL 103 N -2.08 0.32 -0.04 0.00 2.07 -2.04 -3.06 116.25 111.42 2jsc h VAL 103 Ca -0.50 -0.73 0.00 0.00 0.82 0.00 0.00 66.70 66.29 2jsc h VAL 103 Cb 1.31 1.56 0.00 0.00 -1.52 0.00 0.00 31.29 32.64 2jsc h VAL 103 CO 0.49 0.11 0.00 0.00 0.02 0.00 0.00 177.57 178.19 2jsc n ALA 104 N -2.18 2.60 -2.89 1.67 0.00 -1.26 -4.93 120.51 113.53 2jsc n ALA 104 Ca -0.00 -0.28 0.00 0.00 0.00 0.00 0.00 53.44 53.15 2jsc n ALA 104 Cb 0.33 -1.29 0.00 0.00 0.00 0.00 0.00 19.45 18.49 2jsc n ALA 104 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 2jsc n GLU 105 N -0.44 0.00 0.00 0.00 0.00 -1.16 -5.20 120.64 113.84 2jsc n GLU 105 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.34 2jsc n GLU 105 Cb 0.18 0.00 0.00 0.00 0.00 0.00 0.00 31.44 31.62 2jsc n GLU 105 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.13 177.67