#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 -0.75 -1.13 0.00 7.12 -2.06 0.23 115.31 118.72 2jsc h LEU 11 Ca 0.00 0.12 0.00 0.00 0.13 0.00 0.00 57.88 58.13 2jsc h LEU 11 Cb 0.00 0.33 0.00 0.00 -0.53 0.00 0.00 40.66 40.46 2jsc h LEU 11 CO 0.00 -0.29 0.00 0.00 -0.13 0.00 0.00 178.44 178.02 2jsc n ALA 12 N -2.73 1.33 -0.06 1.25 0.00 -1.26 -2.53 120.51 116.51 2jsc n ALA 12 Ca -0.03 0.15 -0.22 0.00 0.00 0.00 0.00 53.44 53.35 2jsc n ALA 12 Cb 0.28 -1.36 -0.13 0.00 0.00 0.00 0.00 19.45 18.25 2jsc n ALA 12 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 2jsc n ARG 13 N -2.28 0.67 -0.18 0.00 0.63 0.14 -4.48 116.66 111.17 2jsc n ARG 13 Ca 0.00 0.32 -0.03 0.00 -0.92 0.00 0.00 57.85 57.22 2jsc n ARG 13 Cb 0.13 -1.66 0.18 0.00 0.45 0.00 0.00 32.46 31.55 2jsc n ARG 13 CO 0.00 0.00 0.00 1.25 -2.51 0.00 0.00 177.63 176.37 2jsc h LEU 14 N -0.32 0.85 -2.49 6.15 7.12 -0.38 0.27 115.31 126.51 2jsc h LEU 14 Ca -0.47 -0.12 0.02 0.00 0.13 0.00 0.00 57.88 57.44 2jsc h LEU 14 Cb 1.79 -0.22 -0.00 0.00 -0.53 0.00 0.00 40.66 41.69 2jsc h LEU 14 CO -0.07 0.77 0.10 1.23 -0.13 0.00 0.00 178.44 180.34 2jsc h GLY 15 N 1.01 0.00 -1.82 3.75 0.00 -1.73 0.71 103.07 104.99 2jsc h GLY 15 Ca 0.21 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.54 2jsc h GLY 15 CO -0.02 0.00 -0.04 -2.13 0.00 0.00 0.00 176.54 174.35 2jsc n ARG 16 N -3.50 2.19 0.04 4.80 0.63 -0.02 -2.78 116.66 118.02 2jsc n ARG 16 Ca -0.01 -1.83 -0.16 0.00 -0.92 0.00 0.00 57.85 54.92 2jsc n ARG 16 Cb 0.19 -1.46 -0.14 0.00 0.45 0.00 0.00 32.46 31.50 2jsc n ARG 16 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 2jsc h ALA 17 N 4.58 0.40 -0.27 5.13 0.00 0.19 -1.76 119.26 127.53 2jsc h ALA 17 Ca 0.00 -1.24 -0.16 0.00 0.00 0.00 0.00 54.91 53.51 2jsc h ALA 17 Cb 0.97 0.41 -0.00 0.00 0.00 0.00 0.00 17.79 19.16 2jsc h ALA 17 CO 0.00 1.26 -0.49 -0.07 0.00 0.00 0.00 179.25 179.95 2jsc h LEU 18 N 0.06 0.80 -3.46 0.00 4.07 -1.47 -3.16 115.31 112.16 2jsc h LEU 18 Ca -0.29 -0.40 -0.38 0.00 0.08 0.00 0.00 57.88 56.89 2jsc h LEU 18 Cb 2.02 -0.23 -0.19 0.00 1.08 0.00 0.00 40.66 43.34 2jsc h LEU 18 CO 0.13 1.15 0.49 0.00 -1.08 0.00 0.00 178.44 179.13 2jsc n ALA 19 N -2.54 5.01 -1.81 1.53 0.00 -1.12 -3.18 120.51 118.40 2jsc n ALA 19 Ca -0.03 -2.02 -0.34 0.00 0.00 0.00 0.00 53.44 51.05 2jsc n ALA 19 Cb 0.59 -1.40 -0.06 0.00 0.00 0.00 0.00 19.45 18.58 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 -0.42 6.85 0.00 0.00 1.01 -0.66 -4.82 116.67 118.63 2jsc s ASP 20 Ca 0.38 1.77 0.00 0.00 0.71 0.00 0.00 52.55 55.42 2jsc s ASP 20 Cb 0.31 -2.55 0.00 0.00 1.01 0.00 0.00 42.92 41.69 2jsc s ASP 20 CO 0.03 -0.42 0.02 -0.81 0.21 0.00 0.00 175.17 174.20 2jsc n PRO 21 N -0.54 0.00 0.15 8.23 -0.04 -1.26 -0.89 135.00 140.65 2jsc n PRO 21 Ca 0.07 0.02 0.02 0.00 -0.04 0.00 0.00 63.50 63.57 2jsc n PRO 21 Cb 0.53 -0.52 0.39 0.00 -0.04 0.00 0.00 33.50 33.85 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 1.21 -0.46 0.52 2.02 -1.98 -3.23 112.91 110.99 2jsc h THR 22 Ca 0.00 -0.96 0.04 0.00 0.77 0.00 0.00 66.41 66.25 2jsc h THR 22 Cb 0.00 1.42 -0.03 0.00 -1.74 0.00 0.00 68.15 67.80 2jsc h THR 22 CO 0.00 0.29 0.31 0.03 0.37 0.00 0.00 175.52 176.51 2jsc h ARG 23 N 0.12 0.47 0.34 6.66 3.08 -1.84 0.23 114.38 123.43 2jsc h ARG 23 Ca 0.02 -0.03 -0.01 0.00 0.07 0.00 0.00 59.98 60.03 2jsc h ARG 23 Cb 0.49 -0.11 -0.01 0.00 0.08 0.00 0.00 29.97 30.43 2jsc h ARG 23 CO 0.03 0.31 -0.22 0.00 -1.07 0.00 0.00 179.97 179.02 2jsc h ARG 25 N -0.55 0.37 -0.61 0.00 2.43 -1.52 -2.09 114.38 112.41 2jsc h ARG 25 Ca -0.03 -0.25 0.11 0.00 -0.81 0.00 0.00 59.98 59.00 2jsc h ARG 25 Cb 0.46 0.04 -0.08 0.00 -0.42 0.00 0.00 29.97 29.96 2jsc h ARG 25 CO 0.02 0.86 0.16 0.82 -1.51 0.00 0.00 179.97 180.33 2jsc h ILE 26 N 0.27 0.66 -0.28 1.20 1.08 -0.52 -0.82 117.51 119.10 2jsc h ILE 26 Ca -0.01 -0.10 -0.03 0.00 -0.39 0.00 0.00 64.86 64.33 2jsc h ILE 26 Cb 1.14 0.34 -0.01 0.00 -3.07 0.00 0.00 36.82 35.22 2jsc h ILE 26 CO 0.10 0.05 0.06 -0.07 -0.69 0.00 0.00 178.15 177.61 2jsc h LEU 27 N 0.30 0.43 -1.13 1.44 3.38 -0.45 -1.63 115.31 117.65 2jsc h LEU 27 Ca 0.32 -0.24 -0.06 0.00 0.09 0.00 0.00 57.88 58.00 2jsc h LEU 27 Cb 0.47 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 41.08 2jsc h LEU 27 CO -0.39 0.56 0.01 -0.37 0.09 0.00 0.00 178.44 178.34 2jsc h VAL 28 N 0.28 1.21 -0.00 1.22 -1.51 -0.90 -1.85 116.25 114.70 2jsc h VAL 28 Ca 0.09 -0.85 0.00 0.00 -1.23 0.00 0.00 66.70 64.71 2jsc h VAL 28 Cb 0.30 0.91 0.00 0.00 -2.13 0.00 0.00 31.29 30.37 2jsc h VAL 28 CO 0.00 0.29 -0.01 0.00 -1.23 0.00 0.00 177.57 176.62 2jsc n ALA 29 N -2.48 2.64 -0.07 5.19 0.00 -0.36 -3.17 120.51 122.27 2jsc n ALA 29 Ca 0.02 -0.22 -0.11 0.00 0.00 0.00 0.00 53.44 53.14 2jsc n ALA 29 Cb 0.26 -1.46 -0.09 0.00 0.00 0.00 0.00 19.45 18.15 2jsc n ALA 29 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 2jsc h LEU 30 N 0.27 0.00 -0.53 0.00 7.12 -0.43 -3.32 115.31 118.42 2jsc h LEU 30 Ca 0.00 -0.71 0.06 0.00 0.13 0.00 0.00 57.88 57.36 2jsc h LEU 30 Cb 0.14 0.00 -0.09 0.00 -0.53 0.00 0.00 40.66 40.19 2jsc h LEU 30 CO 0.00 0.89 -0.55 0.25 -0.13 0.00 0.00 178.44 178.90 2jsc h LEU 31 N -1.00 -1.88 -3.40 2.25 6.46 -1.48 0.17 115.31 116.43 2jsc h LEU 31 Ca -0.01 0.26 0.00 0.00 -0.12 0.00 0.00 57.88 58.00 2jsc h LEU 31 Cb 0.75 0.79 0.00 0.00 -0.73 0.00 0.00 40.66 41.47 2jsc h LEU 31 CO -0.01 -0.35 0.00 0.47 -0.62 0.00 0.00 178.44 177.93 2jsc n ASP 32 N -5.27 5.26 0.00 1.25 9.92 -1.25 -4.58 116.55 121.88 2jsc n ASP 32 Ca -0.02 -2.77 0.00 0.00 -0.53 0.00 0.00 54.79 51.47 2jsc n ASP 32 Cb 0.31 -0.64 0.00 0.00 -0.64 0.00 0.00 41.12 40.16 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 0.71 -0.10 2.02 0.44 0.00 -0.48 -5.00 105.19 102.78 2jsc n GLY 33 Ca 0.27 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.29 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 -1.26 0.00 0.00 1.61 0.24 0.48 -4.84 118.33 114.56 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 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.37 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 -0.79 0.80 -0.15 0.00 1.13 -1.26 -4.15 117.35 112.94 2jsc s TYR 36 Ca 0.00 -1.00 -0.29 0.00 -1.41 0.00 0.00 57.07 54.38 2jsc s TYR 36 Cb 0.00 -0.49 -0.06 0.00 -1.10 0.00 0.00 41.96 40.31 2jsc s TYR 36 CO 0.00 -0.26 2.10 -1.25 -2.51 0.00 0.00 175.55 173.63 2jsc s PRO 37 N -3.88 3.46 0.00 -3.49 0.04 -1.26 -1.03 135.00 128.84 2jsc s PRO 37 Ca 0.12 2.16 0.00 0.00 0.04 0.00 0.00 61.00 63.32 2jsc s PRO 37 Cb 0.06 -4.29 0.00 0.00 0.04 0.00 0.00 34.50 30.31 2jsc s PRO 37 CO -0.05 -1.72 0.00 0.41 0.04 0.00 0.00 177.00 175.67 2jsc n GLY 38 N 5.34 0.53 0.34 0.56 0.00 -1.26 -4.98 105.19 105.71 2jsc n GLY 38 Ca 0.26 0.00 0.21 0.00 0.00 0.00 0.00 46.02 46.49 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 4.50 0.00 0.00 1.61 -0.00 -1.49 -1.26 115.11 118.47 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 1.28 -0.00 0.00 0.00 178.83 180.11 2jsc n LEU 40 N -3.04 0.00 -0.21 0.06 4.32 -1.26 -3.42 117.00 113.45 2jsc n LEU 40 Ca -0.03 0.46 -0.06 0.00 -0.02 0.00 0.00 56.01 56.36 2jsc n LEU 40 Cb 0.16 -0.46 0.04 0.00 -1.62 0.00 0.00 43.42 41.54 2jsc n LEU 40 CO 0.18 -0.19 1.12 0.00 -1.22 0.00 0.00 177.39 177.29 2jsc h ALA 41 N 2.64 0.76 0.07 -1.18 0.00 -1.41 -0.07 119.26 120.07 2jsc h ALA 41 Ca 0.00 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.87 2jsc h ALA 41 Cb 0.27 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.82 2jsc h ALA 41 CO 0.00 0.19 -0.03 0.00 0.00 0.00 0.00 179.25 179.41 2jsc h ALA 42 N 1.22 -0.09 -0.07 0.00 0.00 -1.80 0.12 119.26 118.64 2jsc h ALA 42 Ca 0.22 -0.15 0.02 0.00 0.00 0.00 0.00 54.91 55.00 2jsc h ALA 42 Cb -0.09 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 17.73 2jsc h ALA 42 CO -0.05 -0.41 0.06 0.45 0.00 0.00 0.00 179.25 179.30 2jsc h HIS 43 N -0.37 0.00 0.00 0.00 -0.00 -1.61 -3.19 115.15 109.98 2jsc h HIS 43 Ca -0.01 0.00 -0.03 0.00 -0.00 0.00 0.00 60.37 60.33 2jsc h HIS 43 Cb 0.33 0.00 -0.01 0.00 -0.00 0.00 0.00 27.41 27.73 2jsc h HIS 43 CO 0.02 0.00 -1.36 1.28 -0.00 0.00 0.00 177.93 177.87 2jsc n LEU 44 N -4.16 0.00 0.00 2.43 4.77 -0.06 -5.01 117.00 114.96 2jsc n LEU 44 Ca -0.01 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.97 2jsc n LEU 44 Cb 0.16 0.04 0.00 0.00 -2.33 0.00 0.00 43.42 41.29 2jsc n LEU 44 CO 0.31 0.04 0.00 0.61 -1.33 0.00 0.00 177.39 177.02 2jsc n GLY 45 N 2.21 1.10 3.77 -0.72 0.00 0.41 -5.01 105.19 106.95 2jsc n GLY 45 Ca -0.04 0.00 -0.39 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 4.57 0.55 0.99 2.01 -1.24 -5.01 118.68 120.56 2jsc s LEU 46 Ca 0.00 1.61 -0.20 0.00 0.01 0.00 0.00 54.13 55.55 2jsc s LEU 46 Cb 0.00 -3.28 -0.06 0.00 0.01 0.00 0.00 46.19 42.86 2jsc s LEU 46 CO 0.00 0.18 1.02 1.07 1.01 0.00 0.00 176.35 179.64 2jsc n THR 47 N 1.77 3.40 -0.15 5.49 5.66 -1.26 -4.28 114.28 124.91 2jsc n THR 47 Ca -0.05 -0.50 0.28 0.00 -3.05 0.00 0.00 64.05 60.73 2jsc n THR 47 Cb 0.49 -1.22 0.70 0.00 -1.55 0.00 0.00 70.33 68.75 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 0.86 0.00 -0.16 1.09 0.11 -1.93 0.15 114.38 114.50 2jsc h ARG 48 Ca -0.48 0.00 -0.05 0.00 0.10 0.00 0.00 59.98 59.55 2jsc h ARG 48 Cb 1.35 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 32.43 2jsc h ARG 48 CO 0.53 0.00 -0.11 0.77 0.10 0.00 0.00 179.97 181.26 2jsc h SER 49 N 0.00 0.37 -0.04 0.08 0.02 -1.98 -0.47 113.55 111.53 2jsc h SER 49 Ca 0.41 -0.44 -0.24 0.00 -0.84 0.00 0.00 61.79 60.68 2jsc h SER 49 Cb 1.91 -0.10 0.01 0.00 0.14 0.00 0.00 62.40 64.36 2jsc h SER 49 CO -0.00 0.74 -0.88 -1.13 -1.14 0.00 0.00 176.83 174.42 2jsc h ASN 50 N 0.01 0.88 -0.33 3.07 -0.73 -1.31 0.08 115.58 117.25 2jsc h ASN 50 Ca 0.03 -0.63 0.05 0.00 1.87 0.00 0.00 56.30 57.62 2jsc h ASN 50 Cb 0.61 -0.26 -0.05 0.00 0.27 0.00 0.00 38.32 38.89 2jsc h ASN 50 CO 0.03 1.43 0.06 0.58 -0.37 0.00 0.00 177.43 179.15 2jsc h VAL 51 N 0.46 0.83 -0.70 2.57 2.07 -0.89 -0.57 116.25 120.01 2jsc h VAL 51 Ca -0.08 -0.06 -0.08 0.00 0.82 0.00 0.00 66.70 67.31 2jsc h VAL 51 Cb 1.51 0.64 -0.03 0.00 -1.52 0.00 0.00 31.29 31.89 2jsc h VAL 51 CO 0.17 0.03 0.14 0.28 0.02 0.00 0.00 177.57 178.22 2jsc h SER 52 N 0.17 1.09 -0.05 0.57 0.02 -1.01 -1.69 113.55 112.64 2jsc h SER 52 Ca 0.16 -0.25 0.03 0.00 -0.84 0.00 0.00 61.79 60.89 2jsc h SER 52 Cb 0.18 -0.29 -0.03 0.00 0.14 0.00 0.00 62.40 62.40 2jsc h SER 52 CO -0.21 1.05 -0.13 -1.13 -1.14 0.00 0.00 176.83 175.27 2jsc h ASN 53 N 1.07 -0.39 0.62 3.07 -0.73 -0.63 0.58 115.58 119.17 2jsc h ASN 53 Ca 0.22 0.07 -0.10 0.00 1.87 0.00 0.00 56.30 58.36 2jsc h ASN 53 Cb 0.41 0.18 -0.01 0.00 0.27 0.00 0.00 38.32 39.16 2jsc h ASN 53 CO 0.01 -0.18 -0.46 0.45 -0.37 0.00 0.00 177.43 176.88 2jsc h HIS 54 N -0.20 0.00 -0.00 0.67 3.86 -1.07 -2.80 115.15 115.60 2jsc h HIS 54 Ca 0.06 0.00 -0.11 0.00 -1.16 0.00 0.00 60.37 59.16 2jsc h HIS 54 Cb 0.28 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 28.74 2jsc h HIS 54 CO -0.21 0.46 -0.51 -0.07 0.86 0.00 0.00 177.93 178.45 2jsc h LEU 55 N 0.00 0.01 -0.80 2.43 3.38 -0.94 -3.26 115.31 116.13 2jsc h LEU 55 Ca -0.00 -0.00 0.17 0.00 0.09 0.00 0.00 57.88 58.14 2jsc h LEU 55 Cb 0.89 -0.00 -0.11 0.00 0.09 0.00 0.00 40.66 41.53 2jsc h LEU 55 CO 0.06 0.52 0.29 0.77 0.09 0.00 0.00 178.44 180.17 2jsc h SER 56 N 0.01 0.21 -0.27 -0.43 4.64 -0.61 0.04 113.55 117.13 2jsc h SER 56 Ca -0.00 0.14 -0.14 0.00 -0.47 0.00 0.00 61.79 61.31 2jsc h SER 56 Cb 0.91 0.14 -0.00 0.00 -0.31 0.00 0.00 62.40 63.14 2jsc h SER 56 CO 0.07 0.02 -0.37 0.00 -0.87 0.00 0.00 176.83 175.68 2jsc h LEU 58 N 0.47 0.00 0.00 0.00 5.85 -1.22 0.11 115.31 120.52 2jsc h LEU 58 Ca 0.03 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.75 2jsc h LEU 58 Cb 0.96 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.99 2jsc h LEU 58 CO 0.09 0.16 -0.23 0.54 -0.34 0.00 0.00 178.44 178.66 2jsc n ARG 59 N -4.28 0.14 -0.12 1.25 1.74 -0.14 -0.93 116.66 114.32 2jsc n ARG 59 Ca -0.02 0.08 -0.26 0.00 -0.77 0.00 0.00 57.85 56.87 2jsc n ARG 59 Cb 0.23 -1.63 -0.11 0.00 -1.02 0.00 0.00 32.46 29.94 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 1.41 -0.54 0.03 -0.13 0.00 -0.31 -4.27 105.19 101.39 2jsc n GLY 60 Ca 0.06 -0.09 0.00 0.00 0.00 0.00 0.00 46.02 45.99 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 -0.05 0.82 0.12 0.00 0.00 -1.23 -4.88 105.19 99.96 2jsc n GLY 62 Ca 0.00 -0.09 -0.01 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 -7.88 0.99 3.38 -1.36 -3.41 115.31 107.03 2jsc h LEU 63 Ca -0.16 0.00 -0.39 0.00 0.09 0.00 0.00 57.88 57.42 2jsc h LEU 63 Cb 0.96 0.00 -0.31 0.00 0.09 0.00 0.00 40.66 41.40 2jsc h LEU 63 CO 0.23 0.68 -0.77 0.68 0.09 0.00 0.00 178.44 179.36 2jsc s VAL 64 N -3.24 0.59 -0.02 1.22 -7.23 -0.36 -2.85 120.40 108.50 2jsc s VAL 64 Ca 0.00 -0.24 0.06 0.00 -1.81 0.00 0.00 61.98 59.99 2jsc s VAL 64 Cb 0.11 -0.55 -0.01 0.00 0.56 0.00 0.00 36.38 36.49 2jsc s VAL 64 CO 0.77 0.20 -0.19 -0.69 -0.31 0.00 0.00 175.10 174.87 2jsc s VAL 65 N 0.33 1.55 0.52 1.32 1.01 0.42 -4.17 120.40 121.36 2jsc s VAL 65 Ca -0.04 -0.82 -0.18 0.00 0.00 0.00 0.00 61.98 60.93 2jsc s VAL 65 Cb -0.09 -1.30 -0.07 0.00 0.00 0.00 0.00 36.38 34.93 2jsc s VAL 65 CO 0.00 0.44 1.02 0.00 0.00 0.00 0.00 175.10 176.56 2jsc s ALA 66 N -0.35 2.88 0.19 5.51 0.00 -1.26 -0.38 121.76 128.35 2jsc s ALA 66 Ca 0.05 0.44 -0.23 0.00 0.00 0.00 0.00 51.96 52.23 2jsc s ALA 66 Cb -0.09 -3.21 0.06 0.00 0.00 0.00 0.00 23.12 19.88 2jsc s ALA 66 CO 0.00 -0.40 0.65 0.99 0.00 0.00 0.00 175.76 177.00 2jsc s THR 67 N -2.26 0.00 0.29 0.00 2.01 -0.71 -4.86 115.64 110.10 2jsc s THR 67 Ca 0.64 -0.31 -0.16 0.00 0.31 0.00 0.00 61.69 62.16 2jsc s THR 67 Cb -0.14 -1.32 -0.09 0.00 0.01 0.00 0.00 72.50 70.96 2jsc s THR 67 CO 0.26 0.00 0.73 -0.31 -0.69 0.00 0.00 174.62 174.61 2jsc s TYR 68 N -3.77 3.46 -0.69 4.92 1.51 -1.26 -0.19 117.35 121.32 2jsc s TYR 68 Ca 0.04 1.26 0.25 0.00 -1.01 0.00 0.00 57.07 57.61 2jsc s TYR 68 Cb -0.03 -2.55 0.46 0.00 -0.11 0.00 0.00 41.96 39.73 2jsc s TYR 68 CO -0.07 0.17 1.42 -0.85 -1.11 0.00 0.00 175.55 175.11 2jsc n GLU 69 N -0.03 0.26 0.00 -0.62 -0.00 0.14 -4.79 120.64 115.60 2jsc n GLU 69 Ca 0.02 0.10 0.00 0.00 -0.00 0.00 0.00 57.16 57.28 2jsc n GLU 69 Cb 0.52 -1.69 0.00 0.00 -0.00 0.00 0.00 31.44 30.28 2jsc n GLU 69 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 2jsc n GLY 70 N 1.35 0.85 0.78 -1.84 0.00 -1.26 -4.94 105.19 100.13 2jsc n GLY 70 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.06 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 0.00 -3.15 1.61 0.63 -1.26 -5.13 116.66 109.35 2jsc n ARG 71 Ca 0.00 0.00 -0.21 0.00 -0.92 0.00 0.00 57.85 56.72 2jsc n ARG 71 Cb 0.00 -0.04 0.06 0.00 0.45 0.00 0.00 32.46 32.93 2jsc n ARG 71 CO 0.00 0.00 0.00 -0.65 -2.51 0.00 0.00 177.63 174.47 2jsc s GLN 72 N -1.39 2.26 0.25 -0.14 -1.52 -1.26 -5.12 119.66 112.74 2jsc s GLN 72 Ca 0.00 -1.73 0.07 0.00 -1.95 0.00 0.00 55.36 51.75 2jsc s GLN 72 Cb 0.00 -2.56 -0.04 0.00 -0.22 0.00 0.00 33.01 30.19 2jsc s GLN 72 CO 0.00 -0.88 0.21 0.14 -0.25 0.00 0.00 175.29 174.51 2jsc s VAL 73 N -2.71 4.46 0.22 1.09 -7.23 -1.26 -0.68 120.40 114.29 2jsc s VAL 73 Ca 0.58 -1.39 -0.04 0.00 -1.81 0.00 0.00 61.98 59.33 2jsc s VAL 73 Cb -0.05 -3.42 -0.03 0.00 0.56 0.00 0.00 36.38 33.44 2jsc s VAL 73 CO 0.37 -0.35 0.22 0.00 -0.31 0.00 0.00 175.10 175.03 2jsc s ARG 74 N -3.85 1.30 -0.22 4.82 1.70 0.73 -4.02 118.95 119.40 2jsc s ARG 74 Ca 0.33 -1.55 -0.04 0.00 -0.47 0.00 0.00 55.73 54.00 2jsc s ARG 74 Cb -0.08 0.32 -0.01 0.00 -0.57 0.00 0.00 34.95 34.61 2jsc s ARG 74 CO 0.25 -0.46 -0.02 0.71 -1.08 0.00 0.00 175.30 174.70 2jsc s TYR 75 N -4.10 2.98 0.03 5.89 2.02 -1.26 -1.75 117.35 121.16 2jsc s TYR 75 Ca 0.35 -0.83 0.03 0.00 -0.37 0.00 0.00 57.07 56.25 2jsc s TYR 75 Cb 0.05 -2.12 -0.04 0.00 -0.40 0.00 0.00 41.96 39.45 2jsc s TYR 75 CO 0.12 -0.50 -0.01 0.00 -1.57 0.00 0.00 175.55 173.59 2jsc s ALA 76 N 1.46 3.23 0.27 3.71 0.00 0.48 -4.39 121.76 126.53 2jsc s ALA 76 Ca 0.05 -1.01 -0.30 0.00 0.00 0.00 0.00 51.96 50.70 2jsc s ALA 76 Cb -0.14 -1.26 -0.13 0.00 0.00 0.00 0.00 23.12 21.59 2jsc s ALA 76 CO -0.02 0.66 1.48 -0.11 0.00 0.00 0.00 175.76 177.76 2jsc n LEU 77 N 1.18 3.65 -0.29 0.00 7.94 -1.26 -0.44 117.00 127.78 2jsc n LEU 77 Ca -0.14 1.15 0.04 0.00 -1.11 0.00 0.00 56.01 55.95 2jsc n LEU 77 Cb 0.52 -1.50 0.18 0.00 0.53 0.00 0.00 43.42 43.16 2jsc n LEU 77 CO 0.35 -0.22 1.14 0.00 -1.11 0.00 0.00 177.39 177.54 2jsc h ALA 78 N 4.33 1.21 -2.75 1.96 0.00 -1.76 -3.45 119.26 118.80 2jsc h ALA 78 Ca -0.46 0.04 -0.05 0.00 0.00 0.00 0.00 54.91 54.44 2jsc h ALA 78 Cb 1.26 -0.11 -0.13 0.00 0.00 0.00 0.00 17.79 18.80 2jsc h ALA 78 CO 0.76 0.06 -0.04 0.34 0.00 0.00 0.00 179.25 180.37 2jsc s ASP 79 N -5.57 -0.28 0.35 0.00 2.15 -1.26 -4.99 116.67 107.07 2jsc s ASP 79 Ca -0.12 -0.23 0.25 0.00 0.43 0.00 0.00 52.55 52.87 2jsc s ASP 79 Cb 0.20 0.48 1.22 0.00 -0.30 0.00 0.00 42.92 44.52 2jsc s ASP 79 CO 0.78 -0.84 1.31 -1.20 -0.17 0.00 0.00 175.17 175.05 2jsc n SER 80 N -0.14 0.20 -0.09 -0.34 7.64 -1.26 -1.28 113.62 118.34 2jsc n SER 80 Ca -0.16 1.21 -0.07 0.00 1.01 0.00 0.00 58.87 60.86 2jsc n SER 80 Cb 0.63 -0.59 0.01 0.00 -1.01 0.00 0.00 64.21 63.25 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 0.12 -0.34 1.43 3.86 -1.99 0.37 115.15 118.61 2jsc h HIS 81 Ca 0.73 0.02 -0.13 0.00 -1.16 0.00 0.00 60.37 59.83 2jsc h HIS 81 Cb 2.26 -0.01 -0.01 0.00 1.06 0.00 0.00 27.41 30.71 2jsc h HIS 81 CO -0.01 0.03 -0.31 -0.07 0.86 0.00 0.00 177.93 178.44 2jsc h LEU 82 N 0.19 0.85 -1.21 2.43 3.38 -1.61 -3.08 115.31 116.26 2jsc h LEU 82 Ca 0.15 -0.46 0.04 0.00 0.09 0.00 0.00 57.88 57.70 2jsc h LEU 82 Cb 0.16 -0.24 -0.05 0.00 0.09 0.00 0.00 40.66 40.62 2jsc h LEU 82 CO -0.19 1.13 0.55 0.00 0.09 0.00 0.00 178.44 180.02 2jsc h ALA 83 N 0.74 1.50 0.33 1.53 0.00 -1.22 -0.73 119.26 121.42 2jsc h ALA 83 Ca 0.06 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.91 2jsc h ALA 83 Cb 0.88 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 18.39 2jsc h ALA 83 CO 0.08 0.41 -0.16 0.00 0.00 0.00 0.00 179.25 179.58 2jsc h ARG 84 N 1.02 -0.43 -0.84 0.00 2.47 -0.97 0.15 114.38 115.78 2jsc h ARG 84 Ca 0.34 0.03 -0.03 0.00 -1.26 0.00 0.00 59.98 59.05 2jsc h ARG 84 Cb 0.06 0.10 -0.04 0.00 -1.65 0.00 0.00 29.97 28.44 2jsc h ARG 84 CO -0.10 -0.10 0.40 0.00 0.56 0.00 0.00 179.97 180.73 2jsc h ALA 85 N -0.39 1.08 -0.55 0.04 0.00 -1.36 0.28 119.26 118.36 2jsc h ALA 85 Ca -0.05 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 54.69 2jsc h ALA 85 Cb 0.52 -0.33 -0.03 0.00 0.00 0.00 0.00 17.79 17.96 2jsc h ALA 85 CO 0.07 0.65 0.30 1.25 0.00 0.00 0.00 179.25 181.53 2jsc h LEU 86 N 1.20 0.68 -0.07 0.00 5.85 -1.25 -3.16 115.31 118.56 2jsc h LEU 86 Ca 0.29 -0.09 -0.23 0.00 0.84 0.00 0.00 57.88 58.69 2jsc h LEU 86 Cb 0.12 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 40.97 2jsc h LEU 86 CO -0.04 0.58 -1.03 1.23 -0.34 0.00 0.00 178.44 178.84 2jsc h GLY 87 N 0.74 0.18 1.61 3.75 0.00 0.04 -2.22 103.07 107.16 2jsc h GLY 87 Ca 0.19 -0.39 0.00 0.00 0.00 0.00 0.00 47.33 47.13 2jsc h GLY 87 CO -0.03 0.34 0.00 1.18 0.00 0.00 0.00 176.54 178.03 2jsc n GLU 88 N -3.52 0.14 0.00 4.80 -0.58 0.92 -4.87 120.64 117.52 2jsc n GLU 88 Ca -0.04 0.20 0.00 0.00 -0.42 0.00 0.00 57.16 56.90 2jsc n GLU 88 Cb 0.92 -1.50 0.00 0.00 -0.57 0.00 0.00 31.44 30.29 2jsc n GLU 88 CO 0.00 0.00 0.00 -0.11 -0.48 0.00 0.00 177.13 176.54 2jsc n LEU 89 N -1.31 0.00 0.00 -4.62 7.94 -0.83 -1.71 117.00 116.47 2jsc n LEU 89 Ca 0.05 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.95 2jsc n LEU 89 Cb 0.09 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.04 2jsc n LEU 89 CO 0.08 0.00 0.00 1.33 -1.11 0.00 0.00 177.39 177.69 2jsc n VAL 90 N 0.00 0.00 0.00 1.96 0.24 -1.26 -4.92 118.33 114.36 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 0.00 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.37 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 0.00 0.00 -0.37 7.34 1.13 -0.70 -4.85 117.38 119.93 2jsc n GLN 91 Ca 0.00 0.00 -0.02 0.00 -1.94 0.00 0.00 57.00 55.04 2jsc n GLN 91 Cb 0.00 -1.61 -0.03 0.00 0.11 0.00 0.00 30.24 28.71 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 -0.94 1.32 -1.39 5.09 3.14 -1.26 -4.56 118.33 119.72 2jsc n VAL 92 Ca 0.00 -0.45 -0.14 0.00 -2.96 0.00 0.00 64.34 60.79 2jsc n VAL 92 Cb 0.00 -1.43 -0.06 0.00 -1.06 0.00 0.00 33.84 31.29 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 2.00 0.00 -0.87 1.55 0.31 -1.26 -4.02 118.33 116.05 2jsc n VAL 93 Ca 0.07 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.40 2jsc n VAL 93 Cb 0.36 -1.55 0.00 0.00 -0.91 0.00 0.00 33.84 31.74 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 -1.54 -1.54 -4.21 7.52 4.77 -1.26 -4.91 117.00 115.82 2jsc n LEU 94 Ca -0.14 0.00 -0.36 0.00 -0.03 0.00 0.00 56.01 55.49 2jsc n LEU 94 Cb 0.54 -0.77 -0.05 0.00 -2.33 0.00 0.00 43.42 40.81 2jsc n LEU 94 CO 0.21 0.00 1.83 0.00 -1.33 0.00 0.00 177.39 178.10 2jsc n ALA 95 N 0.58 2.72 -1.38 -1.18 0.00 -1.26 -4.94 120.51 115.06 2jsc n ALA 95 Ca 0.00 -3.26 -0.39 0.00 0.00 0.00 0.00 53.44 49.78 2jsc n ALA 95 Cb 0.00 -3.55 0.02 0.00 0.00 0.00 0.00 19.45 15.92 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 6.89 1.26 0.23 0.00 0.31 -1.26 -4.85 118.33 120.90 2jsc n VAL 96 Ca 0.47 -0.50 0.00 0.00 -0.01 0.00 0.00 64.34 64.30 2jsc n VAL 96 Cb 0.44 -0.37 0.00 0.00 -0.91 0.00 0.00 33.84 33.00 2jsc n VAL 96 CO 0.00 0.00 0.00 0.47 -1.32 0.00 0.00 176.83 175.98 2jsc n ASP 97 N 1.47 0.50 -4.93 4.52 9.92 -1.26 -4.82 116.55 121.94 2jsc n ASP 97 Ca 0.10 -0.46 -0.20 0.00 -0.53 0.00 0.00 54.79 53.70 2jsc n ASP 97 Cb 0.46 -0.12 -0.01 0.00 -0.64 0.00 0.00 41.12 40.81 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 0.02 2.71 -2.70 -3.53 -4.23 -1.26 -5.06 115.64 101.59 2jsc s THR 98 Ca 0.00 -1.23 0.24 0.00 -1.18 0.00 0.00 61.69 59.52 2jsc s THR 98 Cb 0.00 -2.94 0.33 0.00 1.34 0.00 0.00 72.50 71.23 2jsc s THR 98 CO 0.00 0.00 1.35 -0.90 -0.54 0.00 0.00 174.62 174.53 2jsc n ASP 99 N -1.68 3.29 -4.64 3.99 5.75 -1.26 -5.07 116.55 116.93 2jsc n ASP 99 Ca 0.05 -2.00 -0.42 0.00 -0.01 0.00 0.00 54.79 52.41 2jsc n ASP 99 Cb 0.61 -0.15 0.00 0.00 -1.03 0.00 0.00 41.12 40.55 2jsc n ASP 99 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2jsc n GLN 100 N 1.44 1.64 0.00 0.11 3.00 -1.26 -5.03 117.38 117.29 2jsc n GLN 100 Ca 0.17 0.58 0.00 0.00 -0.01 0.00 0.00 57.00 57.74 2jsc n GLN 100 Cb 0.61 -2.12 0.00 0.00 0.00 0.00 0.00 30.24 28.73 2jsc n GLN 100 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.06 176.71 2jsc n PRO 101 N 0.38 -0.53 -1.65 -1.09 -0.04 -1.26 -4.97 135.00 125.84 2jsc n PRO 101 Ca 0.08 0.00 -0.38 0.00 -0.04 0.00 0.00 63.50 63.16 2jsc n PRO 101 Cb 0.37 0.00 0.05 0.00 -0.04 0.00 0.00 33.50 33.88 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 0.68 0.00 -0.05 0.00 2.07 -2.05 -2.87 116.25 114.03 2jsc h VAL 103 Ca -0.49 -0.57 -0.01 0.00 0.82 0.00 0.00 66.70 66.44 2jsc h VAL 103 Cb 1.35 1.52 -0.01 0.00 -1.52 0.00 0.00 31.29 32.63 2jsc h VAL 103 CO 0.52 0.00 0.02 0.00 0.02 0.00 0.00 177.57 178.13 2jsc n ALA 104 N -2.00 2.65 -2.33 1.67 0.00 -1.26 -4.88 120.51 114.36 2jsc n ALA 104 Ca 0.02 -0.16 -0.17 0.00 0.00 0.00 0.00 53.44 53.12 2jsc n ALA 104 Cb 0.36 -1.02 -0.10 0.00 0.00 0.00 0.00 19.45 18.69 2jsc n ALA 104 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 2jsc s GLU 105 N -0.77 1.30 0.00 0.00 -6.30 -1.08 -5.25 118.70 106.60 2jsc s GLU 105 Ca 0.04 -1.60 0.21 0.00 -2.50 0.00 0.00 54.97 51.11 2jsc s GLU 105 Cb 0.03 -0.89 1.25 0.00 0.00 0.00 0.00 34.13 34.52 2jsc s GLU 105 CO 0.01 0.07 1.63 -2.13 0.02 0.00 0.00 175.26 174.86