#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2b5s s ILE 1 N 0.00 -0.21 0.77 3.17 1.10 -1.26 -4.81 121.20 119.96 2b5s s ILE 1 Ca 0.00 0.00 -0.11 0.00 -0.51 0.00 0.00 60.65 60.03 2b5s s ILE 1 Cb 0.00 -0.06 0.05 0.00 0.15 0.00 0.00 42.46 42.60 2b5s s ILE 1 CO 0.00 0.00 1.08 0.42 -2.11 0.00 0.00 174.94 174.33 2b5s s THR 2 N 2.24 3.44 0.39 4.00 -4.23 -1.26 -4.70 115.64 115.51 2b5s s THR 2 Ca 0.18 0.47 0.17 0.00 -1.18 0.00 0.00 61.69 61.33 2b5s s THR 2 Cb 0.02 -3.12 0.16 0.00 1.34 0.00 0.00 72.50 70.90 2b5s s THR 2 CO -0.17 -0.61 1.92 0.00 -0.54 0.00 0.00 174.62 175.22 2b5s h GLY 4 N 0.97 1.18 1.78 0.00 0.00 -2.00 -0.48 103.07 104.52 2b5s h GLY 4 Ca -0.00 -0.83 -0.11 0.00 0.00 0.00 0.00 47.33 46.39 2b5s h GLY 4 CO 0.03 0.76 -0.42 1.46 0.00 0.00 0.00 176.54 178.38 2b5s h GLN 5 N 1.01 0.25 0.22 4.80 4.20 -1.77 -2.42 115.11 121.40 2b5s h GLN 5 Ca 0.19 -0.12 -0.01 0.00 0.06 0.00 0.00 58.65 58.77 2b5s h GLN 5 Cb 0.50 -0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.28 2b5s h GLN 5 CO 0.02 0.63 -0.10 0.28 -0.67 0.00 0.00 178.83 178.99 2b5s h VAL 6 N 0.21 0.86 -0.76 -0.54 2.07 -0.74 -2.01 116.25 115.35 2b5s h VAL 6 Ca 0.02 -0.59 -0.03 0.00 0.82 0.00 0.00 66.70 66.92 2b5s h VAL 6 Cb 0.83 1.20 -0.03 0.00 -1.52 0.00 0.00 31.29 31.77 2b5s h VAL 6 CO 0.07 0.13 0.35 0.77 0.02 0.00 0.00 177.57 178.91 2b5s h SER 7 N -0.60 1.00 -0.33 0.57 4.64 -1.10 -0.84 113.55 116.89 2b5s h SER 7 Ca -0.03 -0.14 -0.08 0.00 -0.47 0.00 0.00 61.79 61.07 2b5s h SER 7 Cb 0.43 -0.26 -0.02 0.00 -0.31 0.00 0.00 62.40 62.25 2b5s h SER 7 CO 0.05 0.86 -0.06 0.28 -0.87 0.00 0.00 176.83 177.10 2b5s h SER 8 N 1.07 0.70 -0.20 4.97 0.02 -1.49 -1.00 113.55 117.62 2b5s h SER 8 Ca 0.26 -0.18 -0.11 0.00 -0.84 0.00 0.00 61.79 60.92 2b5s h SER 8 Cb 0.14 -0.19 -0.01 0.00 0.14 0.00 0.00 62.40 62.48 2b5s h SER 8 CO -0.03 0.81 -0.23 0.28 -1.14 0.00 0.00 176.83 176.51 2b5s h SER 9 N 0.67 0.67 -0.06 3.07 0.02 -0.84 -3.30 113.55 113.78 2b5s h SER 9 Ca 0.13 -0.24 0.00 0.00 -0.84 0.00 0.00 61.79 60.84 2b5s h SER 9 Cb 0.50 -0.18 0.00 0.00 0.14 0.00 0.00 62.40 62.85 2b5s h SER 9 CO 0.03 0.89 0.00 0.18 -1.14 0.00 0.00 176.83 176.79 2b5s n LEU 10 N -4.11 2.99 -0.31 5.07 4.77 -0.37 -4.11 117.00 120.92 2b5s n LEU 10 Ca -0.00 -1.05 0.14 0.00 -0.03 0.00 0.00 56.01 55.07 2b5s n LEU 10 Cb 0.42 -0.02 0.32 0.00 -2.33 0.00 0.00 43.42 41.81 2b5s n LEU 10 CO 0.44 0.52 1.07 0.00 -1.33 0.00 0.00 177.39 178.08 2b5s h ALA 11 N 4.55 1.49 0.00 -1.18 0.00 -1.27 0.20 119.26 123.06 2b5s h ALA 11 Ca 0.00 0.15 0.00 0.00 0.00 0.00 0.00 54.91 55.06 2b5s h ALA 11 Cb 0.97 0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.88 2b5s h ALA 11 CO 0.00 -0.32 0.00 -2.30 0.00 0.00 0.00 179.25 176.63 2b5s n PRO 12 N -5.01 0.10 0.00 0.00 -0.02 -1.26 -2.14 135.00 126.67 2b5s n PRO 12 Ca 0.23 0.60 0.14 0.00 -2.02 0.00 0.00 63.50 62.44 2b5s n PRO 12 Cb 0.66 -1.83 0.51 0.00 -0.02 0.00 0.00 33.50 32.82 2b5s n PRO 12 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2b5s h ILE 14 N 0.52 0.29 -0.55 0.00 1.08 -1.57 -2.10 117.51 115.19 2b5s h ILE 14 Ca 0.00 0.00 0.09 0.00 -0.39 0.00 0.00 64.86 64.56 2b5s h ILE 14 Cb 0.42 0.29 -0.07 0.00 -3.07 0.00 0.00 36.82 34.39 2b5s h ILE 14 CO 0.00 0.00 0.14 -0.65 -0.69 0.00 0.00 178.15 176.95 2b5s h PRO 15 N -0.37 0.28 -0.17 2.37 0.11 -1.85 -2.23 132.00 130.14 2b5s h PRO 15 Ca 0.10 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 66.19 2b5s h PRO 15 Cb 0.54 -0.06 -0.01 0.00 0.11 0.00 0.00 31.00 31.58 2b5s h PRO 15 CO -0.37 0.19 0.07 -0.92 -0.21 0.00 0.00 178.00 176.76 2b5s h TYR 16 N 0.29 0.26 0.00 0.65 3.20 -1.70 -0.07 116.97 119.59 2b5s h TYR 16 Ca 0.28 -0.02 -0.01 0.00 3.14 0.00 0.00 58.73 62.13 2b5s h TYR 16 Cb 0.37 -0.08 -0.00 0.00 1.54 0.00 0.00 36.73 38.57 2b5s h TYR 16 CO -0.21 0.30 -0.03 -0.39 -1.64 0.00 0.00 178.16 176.19 2b5s h VAL 17 N 0.13 0.38 0.00 1.81 -1.51 -1.13 0.78 116.25 116.71 2b5s h VAL 17 Ca 0.06 -0.15 -0.26 0.00 -1.23 0.00 0.00 66.70 65.12 2b5s h VAL 17 Cb 0.15 1.11 -0.04 0.00 -2.13 0.00 0.00 31.29 30.37 2b5s h VAL 17 CO -0.01 0.03 -1.72 0.54 -1.23 0.00 0.00 177.57 175.18 2b5s n ARG 18 N -3.57 0.64 0.00 5.19 1.74 -0.86 -0.87 116.66 118.92 2b5s n ARG 18 Ca -0.03 0.22 0.00 0.00 -0.77 0.00 0.00 57.85 57.27 2b5s n ARG 18 Cb 0.13 -1.75 0.00 0.00 -1.02 0.00 0.00 32.46 29.81 2b5s n ARG 18 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2b5s n GLY 19 N 1.52 0.78 7.00 -0.13 0.00 -0.08 -4.81 105.19 109.47 2b5s n GLY 19 Ca -0.16 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.86 2b5s n GLY 19 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2b5s n GLY 20 N 0.00 0.91 3.37 -0.02 0.00 0.27 -4.99 105.19 104.73 2b5s n GLY 20 Ca 0.00 -0.76 0.00 0.00 0.00 0.00 0.00 46.02 45.26 2b5s n GLY 20 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2b5s n GLY 21 N 0.00 0.68 3.75 -0.02 0.00 -1.26 -4.43 105.19 103.91 2b5s n GLY 21 Ca 0.00 -1.13 -0.41 0.00 0.00 0.00 0.00 46.02 44.48 2b5s n GLY 21 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2b5s s ALA 22 N -2.00 3.55 -0.54 4.61 0.00 -1.26 -4.97 121.76 121.14 2b5s s ALA 22 Ca 0.00 1.25 -0.21 0.00 0.00 0.00 0.00 51.96 53.00 2b5s s ALA 22 Cb 0.00 -3.51 0.05 0.00 0.00 0.00 0.00 23.12 19.67 2b5s s ALA 22 CO 0.00 -0.65 0.79 0.08 0.00 0.00 0.00 175.76 175.97 2b5s s VAL 23 N -0.50 4.63 0.08 0.00 1.01 -1.26 -4.82 120.40 119.54 2b5s s VAL 23 Ca 0.54 -0.20 -0.31 0.00 0.00 0.00 0.00 61.98 62.01 2b5s s VAL 23 Cb -0.40 -4.44 -0.07 0.00 0.00 0.00 0.00 36.38 31.48 2b5s s VAL 23 CO 0.47 -1.00 1.31 -2.84 0.00 0.00 0.00 175.10 173.04 2b5s s PRO 24 N 3.28 4.36 0.21 2.72 0.02 -1.26 -4.97 135.00 139.36 2b5s s PRO 24 Ca 0.22 1.94 -0.09 0.00 0.02 0.00 0.00 61.00 63.09 2b5s s PRO 24 Cb -0.17 -3.32 0.29 0.00 0.02 0.00 0.00 34.50 31.33 2b5s s PRO 24 CO 0.14 -0.38 1.73 -1.35 -0.33 0.00 0.00 177.00 176.81 2b5s h PRO 25 N 6.89 0.35 -0.61 5.54 0.11 -1.98 -1.36 132.00 140.94 2b5s h PRO 25 Ca -0.41 -0.02 -0.07 0.00 0.11 0.00 0.00 66.00 65.61 2b5s h PRO 25 Cb 1.21 -0.08 -0.03 0.00 0.11 0.00 0.00 31.00 32.21 2b5s h PRO 25 CO 0.85 0.23 0.11 0.00 -0.21 0.00 0.00 178.00 178.98 2b5s h ALA 26 N 1.44 1.04 -0.21 -0.75 0.00 -1.95 -0.89 119.26 117.95 2b5s h ALA 26 Ca 0.32 -0.25 -0.02 0.00 0.00 0.00 0.00 54.91 54.96 2b5s h ALA 26 Cb 0.42 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 2b5s h ALA 26 CO -0.34 0.62 0.06 0.00 0.00 0.00 0.00 179.25 179.59 2b5s h ASN 29 N 0.02 0.42 -0.54 0.00 -1.24 -0.83 -1.89 115.58 111.51 2b5s h ASN 29 Ca 0.00 -0.27 -0.06 0.00 0.71 0.00 0.00 56.30 56.68 2b5s h ASN 29 Cb 0.19 -0.12 -0.02 0.00 0.73 0.00 0.00 38.32 39.09 2b5s h ASN 29 CO 0.01 1.00 0.09 1.23 -1.29 0.00 0.00 177.43 178.48 2b5s h GLY 30 N 1.38 0.97 0.98 1.57 0.00 0.01 -1.34 103.07 106.63 2b5s h GLY 30 Ca -0.03 -0.64 -0.01 0.00 0.00 0.00 0.00 47.33 46.65 2b5s h GLY 30 CO 0.12 0.59 0.27 -2.22 0.00 0.00 0.00 176.54 175.31 2b5s h ILE 31 N 0.79 1.19 -0.29 2.60 1.08 -0.94 -1.30 117.51 120.63 2b5s h ILE 31 Ca 0.17 -0.51 0.03 0.00 -0.39 0.00 0.00 64.86 64.17 2b5s h ILE 31 Cb 0.40 0.55 -0.03 0.00 -3.07 0.00 0.00 36.82 34.67 2b5s h ILE 31 CO 0.01 0.21 0.08 -0.09 -0.69 0.00 0.00 178.15 177.67 2b5s h ARG 32 N 0.71 0.20 -0.17 2.37 2.43 -1.09 -1.29 114.38 117.53 2b5s h ARG 32 Ca 0.18 -0.01 0.03 0.00 -0.81 0.00 0.00 59.98 59.37 2b5s h ARG 32 Cb 0.08 -0.04 -0.03 0.00 -0.42 0.00 0.00 29.97 29.56 2b5s h ARG 32 CO -0.03 0.13 -0.01 -0.97 -1.51 0.00 0.00 179.97 177.59 2b5s h ASN 33 N 0.20 -0.08 -0.86 -3.80 -1.24 -0.79 0.17 115.58 109.19 2b5s h ASN 33 Ca 0.13 0.04 0.04 0.00 0.71 0.00 0.00 56.30 57.22 2b5s h ASN 33 Cb 0.12 0.07 -0.05 0.00 0.73 0.00 0.00 38.32 39.19 2b5s h ASN 33 CO -0.15 -0.02 0.56 0.58 -1.29 0.00 0.00 177.43 177.12 2b5s h VAL 34 N 0.04 1.12 -0.07 2.57 2.07 -1.00 -1.70 116.25 119.28 2b5s h VAL 34 Ca 0.08 -0.36 -0.24 0.00 0.82 0.00 0.00 66.70 67.00 2b5s h VAL 34 Cb 0.10 -0.01 0.01 0.00 -1.52 0.00 0.00 31.29 29.87 2b5s h VAL 34 CO -0.14 0.19 -0.90 -1.13 0.02 0.00 0.00 177.57 175.61 2b5s h ASN 35 N 1.04 0.88 0.75 0.57 -0.00 -0.73 -3.02 115.58 115.06 2b5s h ASN 35 Ca 0.35 -0.64 -0.07 0.00 -0.00 0.00 0.00 56.30 55.94 2b5s h ASN 35 Cb 0.08 -0.26 -0.01 0.00 -0.00 0.00 0.00 38.32 38.13 2b5s h ASN 35 CO -0.11 1.44 -0.32 -1.13 -0.00 0.00 0.00 177.43 177.31 2b5s h ASN 36 N 0.44 0.00 0.22 1.15 -0.73 -0.33 -2.99 115.58 113.34 2b5s h ASN 36 Ca -0.09 0.00 0.00 0.00 1.87 0.00 0.00 56.30 58.08 2b5s h ASN 36 Cb 1.54 0.00 0.00 0.00 0.27 0.00 0.00 38.32 40.13 2b5s h ASN 36 CO 0.18 0.32 -0.40 0.18 -0.37 0.00 0.00 177.43 177.33 2b5s n LEU 37 N -3.58 1.10 -3.97 0.34 4.77 -0.67 -4.52 117.00 110.47 2b5s n LEU 37 Ca -0.01 -0.32 -0.31 0.00 -0.03 0.00 0.00 56.01 55.35 2b5s n LEU 37 Cb 0.45 -0.12 -0.10 0.00 -2.33 0.00 0.00 43.42 41.32 2b5s n LEU 37 CO 0.35 0.22 0.07 0.00 -1.33 0.00 0.00 177.39 176.71 2b5s s ALA 38 N -2.64 3.91 -0.16 -1.18 0.00 -1.13 -4.63 121.76 115.94 2b5s s ALA 38 Ca 0.19 -3.79 -0.18 0.00 0.00 0.00 0.00 51.96 48.19 2b5s s ALA 38 Cb 0.18 -2.39 -0.23 0.00 0.00 0.00 0.00 23.12 20.69 2b5s s ALA 38 CO 0.59 -2.11 0.36 0.00 0.00 0.00 0.00 175.76 174.61 2b5s h ARG 39 N 5.72 0.11 -7.58 0.00 2.47 -1.79 -3.42 114.38 109.88 2b5s h ARG 39 Ca 0.13 -0.19 -0.47 0.00 -1.26 0.00 0.00 59.98 58.19 2b5s h ARG 39 Cb 0.79 0.07 0.10 0.00 -1.65 0.00 0.00 29.97 29.28 2b5s h ARG 39 CO 0.76 1.09 0.39 0.95 0.56 0.00 0.00 179.97 183.71 2b5s s THR 40 N -2.42 2.04 0.09 2.04 -4.23 -1.26 -4.90 115.64 106.99 2b5s s THR 40 Ca -0.25 -0.04 -0.23 0.00 -1.18 0.00 0.00 61.69 60.00 2b5s s THR 40 Cb 0.05 -3.00 -0.14 0.00 1.34 0.00 0.00 72.50 70.75 2b5s s THR 40 CO 0.67 0.00 1.70 0.74 -0.54 0.00 0.00 174.62 177.20 2b5s h THR 41 N -1.01 1.05 -0.30 3.99 2.02 -1.94 -1.33 112.91 115.39 2b5s h THR 41 Ca -0.46 -0.13 -0.07 0.00 0.77 0.00 0.00 66.41 66.52 2b5s h THR 41 Cb 1.33 1.07 -0.02 0.00 -1.74 0.00 0.00 68.15 68.79 2b5s h THR 41 CO 0.65 0.04 -0.12 1.55 0.37 0.00 0.00 175.52 178.01 2b5s h PRO 42 N 0.01 0.51 -0.35 6.66 0.13 -1.94 -1.04 132.00 135.98 2b5s h PRO 42 Ca 0.01 -0.15 -0.11 0.00 -0.87 0.00 0.00 66.00 64.89 2b5s h PRO 42 Cb 0.04 -0.05 -0.01 0.00 0.13 0.00 0.00 31.00 31.11 2b5s h PRO 42 CO -0.00 0.63 -0.20 -0.44 -0.23 0.00 0.00 178.00 177.76 2b5s h ASP 43 N 0.47 0.78 -0.63 1.44 3.32 -1.92 -0.63 116.42 119.26 2b5s h ASP 43 Ca 0.09 -0.42 -0.07 0.00 0.02 0.00 0.00 57.03 56.65 2b5s h ASP 43 Cb 0.50 -0.22 -0.03 0.00 0.22 0.00 0.00 39.33 39.80 2b5s h ASP 43 CO 0.03 1.03 0.11 0.03 -1.72 0.00 0.00 179.24 178.72 2b5s h ARG 44 N 0.54 1.05 -0.22 3.56 3.08 -1.06 0.19 114.38 121.52 2b5s h ARG 44 Ca 0.07 -0.27 -0.10 0.00 0.07 0.00 0.00 59.98 59.76 2b5s h ARG 44 Cb 0.75 -0.13 -0.01 0.00 0.08 0.00 0.00 29.97 30.65 2b5s h ARG 44 CO 0.06 0.96 -0.29 1.96 -1.07 0.00 0.00 179.97 181.59 2b5s h GLN 45 N 0.99 0.43 -0.14 0.04 4.20 -1.09 0.30 115.11 119.85 2b5s h GLN 45 Ca 0.20 -0.17 -0.04 0.00 0.06 0.00 0.00 58.65 58.70 2b5s h GLN 45 Cb 0.41 -0.02 -0.00 0.00 0.30 0.00 0.00 27.48 28.17 2b5s h GLN 45 CO 0.01 0.68 -0.05 0.00 -0.67 0.00 0.00 178.83 178.80 2b5s h ALA 46 N 1.32 0.19 -0.69 3.87 0.00 -0.36 0.24 119.26 123.83 2b5s h ALA 46 Ca 0.05 -0.25 -0.03 0.00 0.00 0.00 0.00 54.91 54.68 2b5s h ALA 46 Cb 0.70 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.41 2b5s h ALA 46 CO 0.05 -0.03 0.30 0.00 0.00 0.00 0.00 179.25 179.57 2b5s h ALA 47 N 0.68 0.89 -0.71 0.00 0.00 -0.47 0.61 119.26 120.26 2b5s h ALA 47 Ca 0.03 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 54.77 2b5s h ALA 47 Cb 0.50 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 17.98 2b5s h ALA 47 CO 0.02 0.49 0.41 0.00 0.00 0.00 0.00 179.25 180.16 2b5s h ASN 49 N 0.97 0.20 0.37 0.00 4.21 0.10 -1.15 115.58 120.28 2b5s h ASN 49 Ca 0.25 -0.08 -0.02 0.00 1.21 0.00 0.00 56.30 57.67 2b5s h ASN 49 Cb -0.00 -0.05 0.00 0.00 -1.12 0.00 0.00 38.32 37.15 2b5s h ASN 49 CO -0.04 0.58 -0.18 0.00 -1.29 0.00 0.00 177.43 176.49 2b5s h LEU 51 N -0.73 0.00 -1.12 0.00 4.07 -1.39 -1.97 115.31 114.17 2b5s h LEU 51 Ca -0.05 0.00 0.03 0.00 0.08 0.00 0.00 57.88 57.93 2b5s h LEU 51 Cb 0.50 0.00 -0.05 0.00 1.08 0.00 0.00 40.66 42.19 2b5s h LEU 51 CO 0.08 0.44 0.60 0.50 -1.08 0.00 0.00 178.44 178.98 2b5s h LYS 52 N 0.00 1.14 0.10 1.13 3.64 -1.22 0.74 116.57 122.11 2b5s h LYS 52 Ca -0.00 -0.07 -0.01 0.00 -1.27 0.00 0.00 60.65 59.30 2b5s h LYS 52 Cb 1.04 -0.26 0.00 0.00 -0.41 0.00 0.00 32.23 32.61 2b5s h LYS 52 CO 0.06 0.75 -0.05 0.37 -2.27 0.00 0.00 179.45 178.31 2b5s h GLN 53 N 1.17 -0.13 -0.55 1.90 4.15 -1.15 -3.04 115.11 117.47 2b5s h GLN 53 Ca 0.35 0.01 -0.01 0.00 0.77 0.00 0.00 58.65 59.77 2b5s h GLN 53 Cb -0.04 0.03 -0.03 0.00 0.21 0.00 0.00 27.48 27.65 2b5s h GLN 53 CO -0.09 0.29 0.32 -0.07 -1.93 0.00 0.00 178.83 177.34 2b5s h LEU 54 N -0.60 0.67 -2.31 -2.39 3.38 -1.01 0.23 115.31 113.28 2b5s h LEU 54 Ca -0.01 -0.07 0.00 0.00 0.09 0.00 0.00 57.88 57.88 2b5s h LEU 54 Cb 0.48 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 41.07 2b5s h LEU 54 CO 0.02 0.55 0.21 -1.28 0.09 0.00 0.00 178.44 178.03 2b5s h SER 55 N 0.74 0.00 0.00 -0.43 0.87 0.46 0.17 113.55 115.35 2b5s h SER 55 Ca 0.19 0.00 -0.43 0.00 -1.23 0.00 0.00 61.79 60.33 2b5s h SER 55 Cb 0.01 0.00 -0.07 0.00 -0.44 0.00 0.00 62.40 61.90 2b5s h SER 55 CO -0.03 0.00 -2.51 0.00 -0.53 0.00 0.00 176.83 173.75 2b5s n ALA 56 N -1.94 1.33 0.08 6.23 0.00 -0.50 -4.63 120.51 121.08 2b5s n ALA 56 Ca -0.02 -1.11 -0.10 0.00 0.00 0.00 0.00 53.44 52.21 2b5s n ALA 56 Cb 0.27 0.01 -0.04 0.00 0.00 0.00 0.00 19.45 19.68 2b5s n ALA 56 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 2b5s h SER 57 N -0.46 0.29 -3.10 0.00 0.02 -0.50 -3.43 113.55 106.37 2b5s h SER 57 Ca -0.64 -0.26 -0.58 0.00 -0.84 0.00 0.00 61.79 59.48 2b5s h SER 57 Cb 1.77 -0.09 -0.06 0.00 0.14 0.00 0.00 62.40 64.16 2b5s h SER 57 CO -0.25 1.09 0.78 -0.69 -1.14 0.00 0.00 176.83 176.62 2b5s s VAL 58 N -3.08 4.69 0.58 2.27 1.01 0.54 -5.00 120.40 121.41 2b5s s VAL 58 Ca -0.03 2.02 -0.20 0.00 0.00 0.00 0.00 61.98 63.77 2b5s s VAL 58 Cb 0.09 -4.31 -0.04 0.00 0.00 0.00 0.00 36.38 32.13 2b5s s VAL 58 CO 0.84 -0.16 1.17 -2.65 0.00 0.00 0.00 175.10 174.30 2b5s n PRO 59 N 6.22 1.23 -1.21 2.72 -0.02 -1.26 -3.67 135.00 139.01 2b5s n PRO 59 Ca 0.12 0.46 -0.07 0.00 -2.02 0.00 0.00 63.50 61.99 2b5s n PRO 59 Cb 0.46 -2.38 -0.03 0.00 -0.02 0.00 0.00 33.50 31.53 2b5s n PRO 59 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2b5s n GLY 60 N 1.03 0.88 3.56 -1.23 0.00 -1.26 -4.95 105.19 103.21 2b5s n GLY 60 Ca 0.13 -0.27 -0.37 0.00 0.00 0.00 0.00 46.02 45.51 2b5s n GLY 60 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2b5s s VAL 61 N -2.04 3.76 -0.07 1.61 1.01 -1.24 -3.85 120.40 119.58 2b5s s VAL 61 Ca 0.00 -0.55 -0.29 0.00 0.00 0.00 0.00 61.98 61.14 2b5s s VAL 61 Cb 0.00 -4.71 -0.07 0.00 0.00 0.00 0.00 36.38 31.60 2b5s s VAL 61 CO 0.00 -1.62 1.96 0.21 0.00 0.00 0.00 175.10 175.66 2b5s s ASN 62 N 5.88 6.19 0.28 3.32 3.84 -0.05 -4.89 114.94 129.50 2b5s s ASN 62 Ca 0.53 2.29 -0.00 0.00 0.21 0.00 0.00 52.86 55.88 2b5s s ASN 62 Cb -0.03 -2.53 0.65 0.00 -0.55 0.00 0.00 41.25 38.79 2b5s s ASN 62 CO -0.05 -1.32 1.64 -0.65 -2.79 0.00 0.00 177.10 173.93 2b5s h PRO 63 N 11.75 0.16 -0.16 0.43 0.11 -1.92 -1.58 132.00 140.78 2b5s h PRO 63 Ca -0.44 -0.01 -0.02 0.00 0.11 0.00 0.00 66.00 65.64 2b5s h PRO 63 Cb 1.22 -0.04 -0.01 0.00 0.11 0.00 0.00 31.00 32.29 2b5s h PRO 63 CO 0.96 0.11 0.03 -0.91 -0.21 0.00 0.00 178.00 177.97 2b5s h ASN 64 N 0.16 0.25 -0.74 -2.05 2.35 -1.95 -2.16 115.58 111.45 2b5s h ASN 64 Ca 0.52 -0.25 0.01 0.00 -0.55 0.00 0.00 56.30 56.03 2b5s h ASN 64 Cb 1.03 -0.07 -0.04 0.00 0.05 0.00 0.00 38.32 39.29 2b5s h ASN 64 CO -0.68 0.44 0.49 0.78 -1.65 0.00 0.00 177.43 176.80 2b5s h ASN 65 N 0.05 0.83 -0.46 5.81 -0.26 -1.63 -1.28 115.58 118.65 2b5s h ASN 65 Ca 0.05 -0.02 -0.04 0.00 -0.56 0.00 0.00 56.30 55.73 2b5s h ASN 65 Cb 0.29 -0.20 -0.02 0.00 -1.06 0.00 0.00 38.32 37.33 2b5s h ASN 65 CO 0.00 0.60 0.14 0.00 -1.06 0.00 0.00 177.43 177.11 2b5s h ALA 66 N 1.28 0.61 0.00 -0.83 0.00 -1.29 -1.99 119.26 117.04 2b5s h ALA 66 Ca 0.27 -0.18 -0.08 0.00 0.00 0.00 0.00 54.91 54.92 2b5s h ALA 66 Cb -0.09 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.51 2b5s h ALA 66 CO -0.07 0.26 -0.38 0.00 0.00 0.00 0.00 179.25 179.06 2b5s h ALA 67 N 1.00 1.16 0.00 0.00 0.00 -1.13 -3.15 119.26 117.13 2b5s h ALA 67 Ca 0.15 -0.35 -0.06 0.00 0.00 0.00 0.00 54.91 54.65 2b5s h ALA 67 Cb 0.27 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 2b5s h ALA 67 CO -0.00 0.48 -0.69 0.00 0.00 0.00 0.00 179.25 179.03 2b5s h ALA 68 N 1.62 0.71 -0.61 0.00 0.00 -1.00 -3.39 119.26 116.59 2b5s h ALA 68 Ca -0.00 -0.28 0.12 0.00 0.00 0.00 0.00 54.91 54.74 2b5s h ALA 68 Cb 0.78 0.04 -0.12 0.00 0.00 0.00 0.00 17.79 18.49 2b5s h ALA 68 CO 0.05 0.34 -0.20 -0.07 0.00 0.00 0.00 179.25 179.37 2b5s h LEU 69 N 0.00 -0.72 -0.52 0.00 3.38 -1.32 -0.20 115.31 115.93 2b5s h LEU 69 Ca -0.03 0.20 0.04 0.00 0.09 0.00 0.00 57.88 58.18 2b5s h LEU 69 Cb 1.21 0.43 -0.04 0.00 0.09 0.00 0.00 40.66 42.35 2b5s h LEU 69 CO 0.03 -0.24 0.27 -0.65 0.09 0.00 0.00 178.44 177.94 2b5s h PRO 70 N -0.05 0.50 -0.55 1.13 0.11 -1.79 -0.65 132.00 130.71 2b5s h PRO 70 Ca 0.28 -0.03 -0.00 0.00 0.11 0.00 0.00 66.00 66.36 2b5s h PRO 70 Cb 0.49 -0.11 -0.03 0.00 0.11 0.00 0.00 31.00 31.46 2b5s h PRO 70 CO -0.65 0.33 0.33 0.78 -0.21 0.00 0.00 178.00 178.58 2b5s h GLY 71 N 0.52 0.80 0.87 -0.55 0.00 -1.50 -0.09 103.07 103.12 2b5s h GLY 71 Ca 0.23 -0.34 0.04 0.00 0.00 0.00 0.00 47.33 47.26 2b5s h GLY 71 CO -0.16 0.33 0.65 0.50 0.00 0.00 0.00 176.54 177.86 2b5s h LYS 72 N 0.74 1.21 0.00 4.80 1.79 -0.37 -1.94 116.57 122.80 2b5s h LYS 72 Ca 0.20 -0.07 0.00 0.00 -2.18 0.00 0.00 60.65 58.59 2b5s h LYS 72 Cb -0.01 -0.27 0.00 0.00 -1.58 0.00 0.00 32.23 30.37 2b5s h LYS 72 CO -0.04 0.80 -0.09 0.00 -1.08 0.00 0.00 179.45 179.04 2b5s n GLY 74 N 1.36 0.16 3.22 0.00 0.00 -0.17 -5.03 105.19 104.72 2b5s n GLY 74 Ca 0.06 -0.50 -0.33 0.00 0.00 0.00 0.00 46.02 45.25 2b5s n GLY 74 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2b5s s VAL 75 N -2.59 2.26 -0.15 1.61 1.01 -0.45 -5.04 120.40 117.06 2b5s s VAL 75 Ca 0.06 -0.92 -0.29 0.00 0.00 0.00 0.00 61.98 60.82 2b5s s VAL 75 Cb -0.03 -1.91 -0.02 0.00 0.00 0.00 0.00 36.38 34.42 2b5s s VAL 75 CO 0.08 0.54 1.37 -0.94 0.00 0.00 0.00 175.10 176.15 2b5s s SER 76 N 0.64 6.83 -0.47 3.32 1.04 -1.26 -4.38 113.70 119.41 2b5s s SER 76 Ca -0.11 1.78 0.03 0.00 0.48 0.00 0.00 55.95 58.14 2b5s s SER 76 Cb -0.16 -2.54 0.14 0.00 0.10 0.00 0.00 66.02 63.56 2b5s s SER 76 CO 0.02 -0.85 0.27 -0.63 0.98 0.00 0.00 173.24 173.04 2b5s s ILE 77 N 3.77 1.64 0.36 -1.02 -1.09 -1.26 -4.87 121.20 118.72 2b5s s ILE 77 Ca 0.60 -2.82 0.18 0.00 -2.23 0.00 0.00 60.65 56.38 2b5s s ILE 77 Cb -0.24 -2.14 0.35 0.00 -1.58 0.00 0.00 42.46 38.85 2b5s s ILE 77 CO 0.19 -0.91 1.59 1.55 -1.23 0.00 0.00 174.94 176.13 2b5s h PRO 78 N 6.52 0.04 -6.70 2.79 0.13 -1.98 -3.41 132.00 129.39 2b5s h PRO 78 Ca 0.01 -0.00 -0.49 0.00 -0.87 0.00 0.00 66.00 64.65 2b5s h PRO 78 Cb 0.91 -0.01 0.02 0.00 0.13 0.00 0.00 31.00 32.05 2b5s h PRO 78 CO 0.53 0.03 -0.05 1.52 -0.23 0.00 0.00 178.00 179.79 2b5s s TYR 79 N -5.58 3.52 -0.33 1.56 1.13 -1.26 -5.04 117.35 111.35 2b5s s TYR 79 Ca -0.09 0.59 -0.22 0.00 -1.41 0.00 0.00 57.07 55.93 2b5s s TYR 79 Cb 0.33 -2.10 0.00 0.00 -1.10 0.00 0.00 41.96 39.09 2b5s s TYR 79 CO 0.78 -0.05 0.74 0.21 -2.51 0.00 0.00 175.55 174.72 2b5s s LYS 80 N -4.41 3.85 -0.38 -3.49 2.47 -1.26 -4.99 119.74 111.52 2b5s s LYS 80 Ca 0.44 0.38 -0.29 0.00 -1.56 0.00 0.00 55.97 54.95 2b5s s LYS 80 Cb -0.10 -3.76 -0.00 0.00 -1.46 0.00 0.00 37.83 32.50 2b5s s LYS 80 CO 0.39 -0.72 1.57 -1.50 0.16 0.00 0.00 175.35 175.25 2b5s s ILE 81 N 2.91 3.72 0.03 5.43 1.10 -1.26 -4.67 121.20 128.46 2b5s s ILE 81 Ca 0.30 0.73 -0.28 0.00 -0.51 0.00 0.00 60.65 60.89 2b5s s ILE 81 Cb -0.14 -3.98 0.07 0.00 0.15 0.00 0.00 42.46 38.56 2b5s s ILE 81 CO 0.14 -0.63 0.66 -0.55 -2.11 0.00 0.00 174.94 172.45 2b5s s SER 82 N 4.85 -0.61 0.00 4.50 0.15 -1.26 -3.93 113.70 117.40 2b5s s SER 82 Ca 0.69 0.40 0.20 0.00 0.70 0.00 0.00 55.95 57.94 2b5s s SER 82 Cb -0.17 0.55 1.07 0.00 -1.71 0.00 0.00 66.02 65.76 2b5s s SER 82 CO 0.33 -0.75 1.62 0.00 1.20 0.00 0.00 173.24 175.64 2b5s n ALA 83 N 0.35 2.11 -1.93 5.45 0.00 -1.26 -2.93 120.51 122.30 2b5s n ALA 83 Ca -0.18 -0.10 0.04 0.00 0.00 0.00 0.00 53.44 53.20 2b5s n ALA 83 Cb 0.60 -1.32 0.06 0.00 0.00 0.00 0.00 19.45 18.79 2b5s n ALA 83 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 2b5s n SER 84 N -1.19 0.99 -4.61 0.00 3.41 -1.26 -4.94 113.62 106.02 2b5s n SER 84 Ca 0.11 -2.49 -0.42 0.00 -0.26 0.00 0.00 58.87 55.81 2b5s n SER 84 Cb 0.13 -0.32 -0.04 0.00 -0.26 0.00 0.00 64.21 63.71 2b5s n SER 84 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 2b5s s THR 85 N -1.01 4.71 -0.65 6.66 2.01 -1.15 -4.96 115.64 121.25 2b5s s THR 85 Ca 0.22 1.19 -0.26 0.00 0.31 0.00 0.00 61.69 63.16 2b5s s THR 85 Cb 0.23 -4.22 -0.05 0.00 0.01 0.00 0.00 72.50 68.47 2b5s s THR 85 CO -0.06 -0.36 2.06 0.21 -0.69 0.00 0.00 174.62 175.79 2b5s s ASN 86 N 1.71 4.90 0.42 3.53 2.47 -1.26 -4.79 114.94 121.92 2b5s s ASN 86 Ca 0.35 0.30 0.13 0.00 0.42 0.00 0.00 52.86 54.06 2b5s s ASN 86 Cb -0.13 -2.53 0.91 0.00 -1.45 0.00 0.00 41.25 38.04 2b5s s ASN 86 CO 0.15 -2.72 1.95 0.00 -3.72 0.00 0.00 177.10 172.76 2b5s h ALA 88 N 1.75 1.58 -0.09 0.00 0.00 -1.92 0.62 119.26 121.20 2b5s h ALA 88 Ca 0.01 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.92 2b5s h ALA 88 Cb 0.36 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.16 2b5s h ALA 88 CO 0.02 -0.31 0.00 0.25 0.00 0.00 0.00 179.25 179.21 2b5s n THR 89 N -3.40 0.09 -2.42 0.00 -2.24 -1.02 -4.93 114.28 100.35 2b5s n THR 89 Ca 0.01 -0.48 -0.41 0.00 -2.27 0.00 0.00 64.05 60.90 2b5s n THR 89 Cb 0.34 1.15 -0.04 0.00 -2.10 0.00 0.00 70.33 69.69 2b5s n THR 89 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 2b5s s VAL 90 N -1.91 3.49 -1.36 2.28 1.01 0.21 -5.14 120.40 118.98 2b5s s VAL 90 Ca 0.32 1.40 0.11 0.00 0.00 0.00 0.00 61.98 63.81 2b5s s VAL 90 Cb 0.20 -3.89 0.09 0.00 0.00 0.00 0.00 36.38 32.78 2b5s s VAL 90 CO 0.31 0.29 0.84 1.17 0.00 0.00 0.00 175.10 177.72