#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rgf s VAL 2 N 0.00 4.88 -1.54 2.53 1.01 -1.26 -4.66 120.40 121.36 1rgf s VAL 2 Ca 0.00 1.93 0.22 0.00 0.00 0.00 0.00 61.98 64.13 1rgf s VAL 2 Cb 0.00 -4.26 0.43 0.00 0.00 0.00 0.00 36.38 32.54 1rgf s VAL 2 CO 0.00 0.13 1.70 -1.54 0.00 0.00 0.00 175.10 175.39 1rgf n SER 3 N 4.21 0.00 0.00 3.32 3.41 0.44 -4.97 113.62 120.02 1rgf n SER 3 Ca 0.05 -0.15 0.00 0.00 -0.26 0.00 0.00 58.87 58.51 1rgf n SER 3 Cb 0.50 -0.23 0.00 0.00 -0.26 0.00 0.00 64.21 64.22 1rgf n SER 3 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1rgf n GLY 4 N 0.52 0.82 3.62 5.00 0.00 -1.26 -5.01 105.19 108.88 1rgf n GLY 4 Ca 0.11 -1.83 -0.30 0.00 0.00 0.00 0.00 46.02 44.00 1rgf n GLY 4 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1rgf s THR 5 N -2.51 3.64 -0.01 2.61 2.01 -1.26 -1.40 115.64 118.71 1rgf s THR 5 Ca 0.00 -1.08 0.02 0.00 0.31 0.00 0.00 61.69 60.94 1rgf s THR 5 Cb 0.00 -2.69 0.00 0.00 0.01 0.00 0.00 72.50 69.82 1rgf s THR 5 CO 0.00 0.17 -0.06 0.54 -0.69 0.00 0.00 174.62 174.58 1rgf s VAL 6 N -1.21 0.50 0.34 3.82 0.11 0.03 -4.90 120.40 119.10 1rgf s VAL 6 Ca 0.22 -0.24 -0.27 0.00 -2.93 0.00 0.00 61.98 58.76 1rgf s VAL 6 Cb -0.11 -0.45 -0.09 0.00 -1.53 0.00 0.00 36.38 34.20 1rgf s VAL 6 CO 0.14 0.16 1.15 0.00 -3.33 0.00 0.00 175.10 173.22 1rgf h LEU 8 N 3.21 0.73 -1.83 0.00 5.85 -0.91 -1.58 115.31 120.77 1rgf h LEU 8 Ca -0.48 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.23 1rgf h LEU 8 Cb 1.22 -0.17 0.00 0.00 0.37 0.00 0.00 40.66 42.09 1rgf h LEU 8 CO 0.65 0.49 0.00 0.77 -0.34 0.00 0.00 178.44 180.01 1rgf h SER 9 N 0.84 0.00 1.09 1.25 4.64 -1.72 -2.22 113.55 117.44 1rgf h SER 9 Ca 0.29 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.61 1rgf h SER 9 Cb 0.09 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.18 1rgf h SER 9 CO -0.08 0.00 -0.44 0.00 -0.87 0.00 0.00 176.83 175.44 1rgf h ALA 10 N 2.02 0.72 -2.12 5.18 0.00 -1.57 -3.47 119.26 120.01 1rgf h ALA 10 Ca 0.00 0.00 -0.46 0.00 0.00 0.00 0.00 54.91 54.45 1rgf h ALA 10 Cb 0.34 0.00 0.05 0.00 0.00 0.00 0.00 17.79 18.18 1rgf h ALA 10 CO 0.00 0.00 0.08 -0.51 0.00 0.00 0.00 179.25 178.82 1rgf s LEU 11 N -4.45 3.21 0.62 0.00 1.43 -0.84 -5.03 118.68 113.63 1rgf s LEU 11 Ca 0.07 0.36 -0.18 0.00 -1.03 0.00 0.00 54.13 53.35 1rgf s LEU 11 Cb 0.13 -3.17 -0.03 0.00 0.03 0.00 0.00 46.19 43.14 1rgf s LEU 11 CO 0.69 -1.16 1.04 -2.65 0.23 0.00 0.00 176.35 174.50 1rgf n PRO 12 N -2.51 0.91 0.04 1.29 -0.02 -1.26 -4.85 135.00 128.60 1rgf n PRO 12 Ca 0.06 0.36 0.13 0.00 -2.02 0.00 0.00 63.50 62.03 1rgf n PRO 12 Cb 0.59 -2.26 0.60 0.00 -0.02 0.00 0.00 33.50 32.41 1rgf n PRO 12 CO 0.00 0.00 0.00 -1.00 1.98 0.00 0.00 175.50 176.48 1rgf h PRO 13 N 0.42 0.16 0.00 0.52 0.13 -1.95 -1.33 132.00 129.95 1rgf h PRO 13 Ca -0.49 -0.01 -0.01 0.00 -0.87 0.00 0.00 66.00 64.62 1rgf h PRO 13 Cb 1.36 -0.04 -0.00 0.00 0.13 0.00 0.00 31.00 32.45 1rgf h PRO 13 CO 0.51 0.11 -0.06 0.93 -0.23 0.00 0.00 178.00 179.26 1rgf h GLU 14 N 0.17 0.00 -0.67 0.86 3.07 -1.88 -1.58 114.58 114.54 1rgf h GLU 14 Ca 0.19 0.00 -0.03 0.00 -0.50 0.00 0.00 59.36 59.01 1rgf h GLU 14 Cb 0.52 0.00 -0.03 0.00 -0.84 0.00 0.00 28.75 28.40 1rgf h GLU 14 CO -0.03 0.06 0.28 0.00 -1.40 0.00 0.00 179.01 177.92 1rgf h ALA 15 N 1.94 1.24 -0.47 3.43 0.00 -1.58 -1.05 119.26 122.78 1rgf h ALA 15 Ca -0.00 -0.16 -0.11 0.00 0.00 0.00 0.00 54.91 54.64 1rgf h ALA 15 Cb 0.28 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 1rgf h ALA 15 CO 0.01 0.57 -0.13 1.15 0.00 0.00 0.00 179.25 180.84 1rgf h THR 16 N 0.96 1.26 -0.22 0.00 2.02 -1.43 -1.78 112.91 113.72 1rgf h THR 16 Ca 0.23 -1.24 0.01 0.00 0.77 0.00 0.00 66.41 66.18 1rgf h THR 16 Cb 0.16 1.04 -0.02 0.00 -1.74 0.00 0.00 68.15 67.59 1rgf h THR 16 CO -0.02 0.43 0.12 0.44 0.37 0.00 0.00 175.52 176.86 1rgf h ASP 17 N 0.79 0.19 -0.57 4.18 3.32 -1.36 -1.80 116.42 121.17 1rgf h ASP 17 Ca 0.12 0.01 -0.01 0.00 0.02 0.00 0.00 57.03 57.17 1rgf h ASP 17 Cb 0.65 -0.03 -0.03 0.00 0.22 0.00 0.00 39.33 40.14 1rgf h ASP 17 CO 0.05 0.14 0.31 0.74 -1.72 0.00 0.00 179.24 178.76 1rgf h THR 18 N 0.25 1.19 -0.71 0.35 2.02 -1.03 -1.70 112.91 113.28 1rgf h THR 18 Ca 0.09 -0.48 -0.01 0.00 0.77 0.00 0.00 66.41 66.78 1rgf h THR 18 Cb 0.01 0.47 -0.03 0.00 -1.74 0.00 0.00 68.15 66.85 1rgf h THR 18 CO -0.05 0.20 0.42 -0.07 0.37 0.00 0.00 175.52 176.39 1rgf h LEU 19 N 0.77 0.86 -0.87 2.58 3.38 -1.04 -0.14 115.31 120.84 1rgf h LEU 19 Ca 0.20 -0.05 -0.09 0.00 0.09 0.00 0.00 57.88 58.03 1rgf h LEU 19 Cb 0.05 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.56 1rgf h LEU 19 CO -0.03 0.67 -0.12 0.78 0.09 0.00 0.00 178.44 179.82 1rgf h ASN 20 N 0.98 0.69 -0.13 -0.43 2.35 -0.93 -1.48 115.58 116.63 1rgf h ASN 20 Ca 0.25 -0.20 -0.14 0.00 -0.55 0.00 0.00 56.30 55.66 1rgf h ASN 20 Cb -0.02 -0.19 -0.01 0.00 0.05 0.00 0.00 38.32 38.16 1rgf h ASN 20 CO -0.05 0.84 -0.41 -0.07 -1.65 0.00 0.00 177.43 176.10 1rgf h LEU 21 N 0.64 0.71 -0.69 1.61 3.38 -0.50 -2.65 115.31 117.80 1rgf h LEU 21 Ca 0.11 -0.32 -0.03 0.00 0.09 0.00 0.00 57.88 57.72 1rgf h LEU 21 Cb 0.58 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 41.10 1rgf h LEU 21 CO 0.04 1.03 0.31 0.40 0.09 0.00 0.00 178.44 180.30 1rgf h ILE 22 N 0.55 1.24 -0.75 1.22 2.04 -0.78 0.18 117.51 121.20 1rgf h ILE 22 Ca 0.04 -0.70 0.07 0.00 1.00 0.00 0.00 64.86 65.27 1rgf h ILE 22 Cb 0.94 0.42 -0.06 0.00 -0.74 0.00 0.00 36.82 37.37 1rgf h ILE 22 CO 0.08 0.29 0.43 0.00 0.00 0.00 0.00 178.15 178.95 1rgf h ALA 23 N 1.14 1.04 -0.01 1.87 0.00 -1.04 -1.99 119.26 120.27 1rgf h ALA 23 Ca 0.23 0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.17 1rgf h ALA 23 Cb 0.16 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.82 1rgf h ALA 23 CO -0.02 0.09 -0.03 -1.13 0.00 0.00 0.00 179.25 178.16 1rgf n SER 24 N -4.75 1.50 -3.34 0.00 3.41 -1.02 -4.94 113.62 104.47 1rgf n SER 24 Ca 0.11 -1.45 -0.21 0.00 -0.26 0.00 0.00 58.87 57.05 1rgf n SER 24 Cb 0.22 0.02 0.07 0.00 -0.26 0.00 0.00 64.21 64.26 1rgf n SER 24 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 1rgf n ASP 25 N 0.13 -5.62 0.00 4.04 2.03 -0.18 -4.72 116.55 112.23 1rgf n ASP 25 Ca 0.18 -0.51 0.00 0.00 0.52 0.00 0.00 54.79 54.99 1rgf n ASP 25 Cb 0.36 -4.69 0.00 0.00 -0.72 0.00 0.00 41.12 36.07 1rgf n ASP 25 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1rgf n GLY 26 N -1.81 -0.42 3.76 0.27 0.00 0.45 -4.76 105.19 102.69 1rgf n GLY 26 Ca -0.02 -1.25 -0.39 0.00 0.00 0.00 0.00 46.02 44.36 1rgf n GLY 26 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1rgf s PRO 27 N 0.00 3.59 0.15 1.61 0.02 -1.26 -4.95 135.00 134.15 1rgf s PRO 27 Ca 0.00 2.24 -0.01 0.00 0.02 0.00 0.00 61.00 63.25 1rgf s PRO 27 Cb 0.00 -2.53 -0.04 0.00 0.02 0.00 0.00 34.50 31.95 1rgf s PRO 27 CO 0.00 -0.83 0.33 -0.06 -0.33 0.00 0.00 177.00 176.10 1rgf s PHE 28 N -1.28 3.49 0.21 6.54 0.08 -1.26 -5.03 117.98 120.73 1rgf s PHE 28 Ca 0.64 0.31 -0.01 0.00 0.12 0.00 0.00 56.93 57.99 1rgf s PHE 28 Cb -0.40 -1.82 0.18 0.00 -0.57 0.00 0.00 43.02 40.41 1rgf s PHE 28 CO 0.50 0.46 1.55 -1.00 -0.10 0.00 0.00 175.22 176.63 1rgf h PRO 29 N 2.42 0.49 -6.31 0.24 0.13 -1.98 -3.45 132.00 123.53 1rgf h PRO 29 Ca -0.47 -0.29 -0.67 0.00 -0.87 0.00 0.00 66.00 63.70 1rgf h PRO 29 Cb 1.18 0.03 -0.17 0.00 0.13 0.00 0.00 31.00 32.16 1rgf h PRO 29 CO 0.71 0.88 -0.71 0.71 -0.23 0.00 0.00 178.00 179.36 1rgf s TYR 30 N -4.03 2.87 0.32 1.56 2.02 -1.26 -5.02 117.35 113.81 1rgf s TYR 30 Ca -0.07 -0.05 0.30 0.00 -0.37 0.00 0.00 57.07 56.88 1rgf s TYR 30 Cb 0.12 -1.60 1.42 0.00 -0.40 0.00 0.00 41.96 41.50 1rgf s TYR 30 CO 0.82 0.37 2.03 0.66 -1.57 0.00 0.00 175.55 177.87 1rgf h SER 31 N 4.50 0.00 0.44 2.29 4.64 -2.05 -1.77 113.55 121.59 1rgf h SER 31 Ca -0.48 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.84 1rgf h SER 31 Cb 1.17 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.26 1rgf h SER 31 CO 0.53 0.11 -0.04 0.00 -0.87 0.00 0.00 176.83 176.57 1rgf n GLN 32 N -3.41 0.58 -2.15 4.77 1.13 -1.26 -4.84 117.38 112.20 1rgf n GLN 32 Ca -0.01 -0.08 -0.42 0.00 -1.94 0.00 0.00 57.00 54.55 1rgf n GLN 32 Cb 0.28 -1.50 -0.03 0.00 0.11 0.00 0.00 30.24 29.10 1rgf n GLN 32 CO 0.00 0.00 0.00 -0.51 -1.44 0.00 0.00 177.06 175.11 1rgf s ASP 33 N -2.47 6.81 0.00 1.08 1.01 -0.67 -3.12 116.67 119.30 1rgf s ASP 33 Ca 0.31 2.35 0.00 0.00 0.71 0.00 0.00 52.55 55.92 1rgf s ASP 33 Cb 0.20 -2.59 0.00 0.00 1.01 0.00 0.00 42.92 41.55 1rgf s ASP 33 CO 0.46 -0.67 0.00 0.61 0.21 0.00 0.00 175.17 175.78 1rgf n GLY 34 N 3.50 0.75 3.80 0.21 0.00 0.14 -5.01 105.19 108.59 1rgf n GLY 34 Ca 0.12 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.82 1rgf n GLY 34 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1rgf s VAL 35 N -2.38 3.83 0.29 1.61 -7.23 -1.18 -4.67 120.40 110.67 1rgf s VAL 35 Ca 0.00 0.67 -0.29 0.00 -1.81 0.00 0.00 61.98 60.55 1rgf s VAL 35 Cb 0.00 -3.31 -0.10 0.00 0.56 0.00 0.00 36.38 33.54 1rgf s VAL 35 CO 0.00 -0.70 1.29 -0.69 -0.31 0.00 0.00 175.10 174.69 1rgf s VAL 36 N -2.84 2.93 -0.27 1.32 1.01 -1.26 -0.75 120.40 120.54 1rgf s VAL 36 Ca 0.60 0.88 -0.16 0.00 0.00 0.00 0.00 61.98 63.31 1rgf s VAL 36 Cb -0.15 -3.56 -0.03 0.00 0.00 0.00 0.00 36.38 32.63 1rgf s VAL 36 CO 0.50 0.19 0.41 0.12 0.00 0.00 0.00 175.10 176.32 1rgf s PHE 37 N -0.78 3.25 -0.65 5.22 5.36 -0.22 -4.77 117.98 125.39 1rgf s PHE 37 Ca 0.51 0.44 0.25 0.00 -0.96 0.00 0.00 56.93 57.17 1rgf s PHE 37 Cb -0.38 -2.63 0.64 0.00 -0.34 0.00 0.00 43.02 40.32 1rgf s PHE 37 CO 0.47 -0.26 1.67 1.96 -1.46 0.00 0.00 175.22 177.60 1rgf h GLN 38 N 8.16 0.00 -6.20 10.12 4.20 -1.94 -3.40 115.11 126.04 1rgf h GLN 38 Ca -0.31 0.00 -0.45 0.00 0.06 0.00 0.00 58.65 57.96 1rgf h GLN 38 Cb 1.15 0.00 0.01 0.00 0.30 0.00 0.00 27.48 28.95 1rgf h GLN 38 CO 0.67 0.00 -0.81 -1.71 -0.67 0.00 0.00 178.83 176.31 1rgf n ASN 39 N -2.41 -2.48 -0.17 1.46 5.15 -1.26 -4.85 115.26 110.71 1rgf n ASN 39 Ca 0.05 -0.82 0.08 0.00 -0.60 0.00 0.00 54.58 53.29 1rgf n ASN 39 Cb 0.45 -3.91 0.38 0.00 -0.53 0.00 0.00 39.78 36.17 1rgf n ASN 39 CO 0.00 0.00 0.00 0.03 1.40 0.00 0.00 177.26 178.69 1rgf h ARG 40 N -1.95 0.67 -0.36 1.20 3.08 -1.99 -1.36 114.38 113.67 1rgf h ARG 40 Ca -0.60 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 59.41 1rgf h ARG 40 Cb 1.37 -0.15 0.00 0.00 0.08 0.00 0.00 29.97 31.26 1rgf h ARG 40 CO 0.61 0.45 0.00 0.39 -1.07 0.00 0.00 179.97 180.35 1rgf n GLU 41 N -4.48 1.91 -3.99 0.04 -0.58 -1.26 -4.93 120.64 107.34 1rgf n GLU 41 Ca 0.11 -1.40 -0.32 0.00 -0.42 0.00 0.00 57.16 55.12 1rgf n GLU 41 Cb 0.26 -1.33 0.01 0.00 -0.57 0.00 0.00 31.44 29.81 1rgf n GLU 41 CO 0.00 0.00 0.00 0.43 -0.48 0.00 0.00 177.13 177.08 1rgf n SER 42 N 0.63 -4.39 -0.05 1.62 7.64 -0.51 -4.85 113.62 113.71 1rgf n SER 42 Ca 0.14 -0.83 -0.16 0.00 1.01 0.00 0.00 58.87 59.03 1rgf n SER 42 Cb 0.34 -3.53 -0.07 0.00 -1.01 0.00 0.00 64.21 59.95 1rgf n SER 42 CO 0.00 0.00 0.00 0.58 -3.01 0.00 0.00 175.04 172.61 1rgf h VAL 43 N -1.88 1.32 -3.03 0.44 2.07 -1.92 -3.40 116.25 109.84 1rgf h VAL 43 Ca -0.58 -1.77 -0.48 0.00 0.82 0.00 0.00 66.70 64.69 1rgf h VAL 43 Cb 1.38 1.93 0.02 0.00 -1.52 0.00 0.00 31.29 33.09 1rgf h VAL 43 CO 0.70 0.55 -0.10 -0.76 0.02 0.00 0.00 177.57 177.99 1rgf s LEU 44 N -8.64 3.89 0.27 2.57 1.43 -1.26 -0.61 118.68 116.32 1rgf s LEU 44 Ca -0.12 0.59 -0.29 0.00 -1.03 0.00 0.00 54.13 53.29 1rgf s LEU 44 Cb 0.08 -3.48 -0.14 0.00 0.03 0.00 0.00 46.19 42.67 1rgf s LEU 44 CO 0.86 -0.39 1.03 -2.65 0.23 0.00 0.00 176.35 175.43 1rgf n PRO 45 N -1.94 1.30 -1.91 1.29 -0.02 -1.26 -4.88 135.00 127.58 1rgf n PRO 45 Ca -0.03 0.46 -0.42 0.00 -2.02 0.00 0.00 63.50 61.49 1rgf n PRO 45 Cb 0.56 -1.84 -0.03 0.00 -0.02 0.00 0.00 33.50 32.17 1rgf n PRO 45 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 1rgf s THR 46 N -0.89 2.55 0.19 3.45 2.01 -1.26 -4.99 115.64 116.70 1rgf s THR 46 Ca 0.61 0.40 -0.04 0.00 0.31 0.00 0.00 61.69 62.97 1rgf s THR 46 Cb -0.73 -3.25 -0.03 0.00 0.01 0.00 0.00 72.50 68.49 1rgf s THR 46 CO 0.58 0.03 0.19 -1.10 -0.69 0.00 0.00 174.62 173.63 1rgf s GLN 47 N 1.09 1.20 0.62 4.92 -1.52 -1.26 -5.14 119.66 119.56 1rgf s GLN 47 Ca 0.70 -1.48 -0.17 0.00 -1.95 0.00 0.00 55.36 52.46 1rgf s GLN 47 Cb -0.44 0.31 -0.02 0.00 -0.22 0.00 0.00 33.01 32.63 1rgf s GLN 47 CO 0.32 -0.41 1.15 -1.12 -0.25 0.00 0.00 175.29 174.98 1rgf s SER 48 N -3.10 5.21 0.18 5.90 0.01 -1.26 -4.93 113.70 115.72 1rgf s SER 48 Ca 0.31 2.18 -0.33 0.00 1.31 0.00 0.00 55.95 59.42 1rgf s SER 48 Cb 0.05 -2.57 -0.14 0.00 0.21 0.00 0.00 66.02 63.57 1rgf s SER 48 CO 0.08 -1.57 1.48 0.00 0.41 0.00 0.00 173.24 173.65 1rgf n TYR 49 N -1.93 2.14 0.00 2.43 4.19 -1.26 -2.36 117.16 120.37 1rgf n TYR 49 Ca 0.12 0.37 0.00 0.00 3.31 0.00 0.00 57.90 61.70 1rgf n TYR 49 Cb 0.51 -2.49 0.00 0.00 0.49 0.00 0.00 39.34 37.85 1rgf n TYR 49 CO 0.00 0.00 0.00 0.41 0.91 0.00 0.00 176.86 178.18 1rgf n GLY 50 N 2.84 0.41 0.27 2.98 0.00 -1.26 -4.95 105.19 105.49 1rgf n GLY 50 Ca 0.15 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.08 1rgf n GLY 50 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 1rgf h TYR 51 N 0.00 0.98 -3.15 1.61 5.03 -1.80 -3.44 116.97 116.19 1rgf h TYR 51 Ca 0.00 -0.23 -0.67 0.00 2.58 0.00 0.00 58.73 60.41 1rgf h TYR 51 Cb 0.00 -0.23 -0.12 0.00 1.55 0.00 0.00 36.73 37.92 1rgf h TYR 51 CO 0.00 0.99 -0.59 0.71 -1.32 0.00 0.00 178.16 177.96 1rgf s TYR 52 N -4.64 3.26 0.10 -3.82 2.02 -1.26 -3.37 117.35 109.64 1rgf s TYR 52 Ca -0.10 0.24 0.05 0.00 -0.37 0.00 0.00 57.07 56.90 1rgf s TYR 52 Cb 0.13 -1.79 -0.03 0.00 -0.40 0.00 0.00 41.96 39.86 1rgf s TYR 52 CO 0.85 0.54 -0.13 -1.01 -1.57 0.00 0.00 175.55 174.22 1rgf s HIS 53 N -1.01 1.27 0.06 2.71 3.76 -0.81 -1.05 115.29 120.22 1rgf s HIS 53 Ca 0.17 -0.54 0.08 0.00 -0.15 0.00 0.00 55.06 54.61 1rgf s HIS 53 Cb -0.12 -0.68 -0.03 0.00 1.11 0.00 0.00 32.58 32.86 1rgf s HIS 53 CO 0.06 0.09 -0.23 -2.00 -0.85 0.00 0.00 174.74 171.81 1rgf s GLU 54 N -2.38 1.42 0.00 1.40 2.12 0.07 -0.90 118.70 120.44 1rgf s GLU 54 Ca 0.04 -1.06 0.01 0.00 0.36 0.00 0.00 54.97 54.32 1rgf s GLU 54 Cb -0.06 -1.62 -0.00 0.00 0.26 0.00 0.00 34.13 32.70 1rgf s GLU 54 CO 0.02 0.40 -0.03 0.71 -0.54 0.00 0.00 175.26 175.83 1rgf s TYR 55 N -0.90 0.23 0.22 5.30 1.51 -0.26 0.28 117.35 123.73 1rgf s TYR 55 Ca 0.09 -0.12 -0.30 0.00 -1.01 0.00 0.00 57.07 55.74 1rgf s TYR 55 Cb -0.09 -0.15 -0.08 0.00 -0.11 0.00 0.00 41.96 41.53 1rgf s TYR 55 CO 0.03 -0.03 1.14 0.99 -1.11 0.00 0.00 175.55 176.57 1rgf s THR 56 N -0.28 3.60 -0.32 -0.71 2.01 -1.26 -1.16 115.64 117.52 1rgf s THR 56 Ca -0.02 1.44 -0.08 0.00 0.31 0.00 0.00 61.69 63.35 1rgf s THR 56 Cb -0.02 -3.92 0.02 0.00 0.01 0.00 0.00 72.50 68.58 1rgf s THR 56 CO -0.00 0.28 0.12 -0.69 -0.69 0.00 0.00 174.62 173.63 1rgf s VAL 57 N -0.49 4.14 0.32 3.82 1.01 -0.70 -4.79 120.40 123.70 1rgf s VAL 57 Ca 0.49 -0.76 -0.29 0.00 0.00 0.00 0.00 61.98 61.42 1rgf s VAL 57 Cb -0.32 -3.20 -0.10 0.00 0.00 0.00 0.00 36.38 32.76 1rgf s VAL 57 CO 0.38 -0.02 1.41 -0.63 0.00 0.00 0.00 175.10 176.23 1rgf s ILE 58 N 1.51 2.48 -0.37 2.22 1.01 -1.26 -4.43 121.20 122.36 1rgf s ILE 58 Ca 0.02 0.46 -0.06 0.00 0.00 0.00 0.00 60.65 61.07 1rgf s ILE 58 Cb -0.18 -3.29 0.07 0.00 0.01 0.00 0.00 42.46 39.07 1rgf s ILE 58 CO 0.04 0.10 0.15 -0.89 0.00 0.00 0.00 174.94 174.33 1rgf s THR 59 N -0.76 3.67 0.34 2.92 2.01 -1.26 -4.79 115.64 117.76 1rgf s THR 59 Ca 0.54 -1.43 -0.29 0.00 0.31 0.00 0.00 61.69 60.82 1rgf s THR 59 Cb -0.43 -3.21 -0.11 0.00 0.01 0.00 0.00 72.50 68.76 1rgf s THR 59 CO 0.53 -0.35 1.52 -2.65 -0.69 0.00 0.00 174.62 172.98 1rgf n PRO 60 N 4.77 2.64 0.00 4.92 -0.02 -1.26 -2.11 135.00 143.94 1rgf n PRO 60 Ca -0.10 0.93 0.00 0.00 -2.02 0.00 0.00 63.50 62.31 1rgf n PRO 60 Cb 0.43 -2.68 0.00 0.00 -0.02 0.00 0.00 33.50 31.24 1rgf n PRO 60 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1rgf n GLY 61 N 1.25 2.10 3.83 -1.23 0.00 -1.26 -5.04 105.19 104.84 1rgf n GLY 61 Ca 0.05 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.74 1rgf n GLY 61 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1rgf s ALA 62 N -2.31 3.13 -1.12 4.61 0.00 -0.90 -4.96 121.76 120.21 1rgf s ALA 62 Ca 0.00 0.26 0.25 0.00 0.00 0.00 0.00 51.96 52.47 1rgf s ALA 62 Cb 0.00 -3.03 0.47 0.00 0.00 0.00 0.00 23.12 20.56 1rgf s ALA 62 CO 0.00 0.15 1.39 2.89 0.00 0.00 0.00 175.76 180.18 1rgf n ARG 63 N -0.67 0.13 -3.21 0.00 1.85 -1.26 -4.90 116.66 108.60 1rgf n ARG 63 Ca 0.06 -0.08 -0.15 0.00 -1.00 0.00 0.00 57.85 56.67 1rgf n ARG 63 Cb 0.54 -1.50 -0.03 0.00 -1.05 0.00 0.00 32.46 30.42 1rgf n ARG 63 CO 0.00 0.00 0.00 0.25 -0.01 0.00 0.00 177.63 177.87 1rgf n THR 64 N -1.36 0.00 0.37 8.89 -2.24 -1.26 -5.00 114.28 113.67 1rgf n THR 64 Ca 0.06 -1.13 0.10 0.00 -2.27 0.00 0.00 64.05 60.81 1rgf n THR 64 Cb 0.34 0.18 0.45 0.00 -2.10 0.00 0.00 70.33 69.19 1rgf n THR 64 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1rgf n ARG 65 N -0.65 0.14 0.00 -0.78 1.74 -1.26 -4.86 116.66 110.98 1rgf n ARG 65 Ca -0.09 0.42 0.00 0.00 -0.77 0.00 0.00 57.85 57.41 1rgf n ARG 65 Cb 0.31 -1.79 0.00 0.00 -1.02 0.00 0.00 32.46 29.95 1rgf n ARG 65 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1rgf n GLY 66 N -0.24 -1.21 0.27 -0.13 0.00 -1.26 -4.58 105.19 98.05 1rgf n GLY 66 Ca 0.02 -1.23 0.03 0.00 0.00 0.00 0.00 46.02 44.84 1rgf n GLY 66 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1rgf n THR 67 N -0.21 0.42 -3.70 2.61 -2.24 -1.26 -4.96 114.28 104.94 1rgf n THR 67 Ca 0.00 -0.71 -0.36 0.00 -2.27 0.00 0.00 64.05 60.71 1rgf n THR 67 Cb 0.00 0.86 -0.08 0.00 -2.10 0.00 0.00 70.33 69.01 1rgf n THR 67 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 1rgf s ARG 68 N -0.70 4.11 0.07 -0.78 0.52 -1.26 -1.17 118.95 119.73 1rgf s ARG 68 Ca 0.09 -0.13 -0.08 0.00 -0.52 0.00 0.00 55.73 55.09 1rgf s ARG 68 Cb 0.05 -3.39 -0.00 0.00 0.52 0.00 0.00 34.95 32.13 1rgf s ARG 68 CO 0.08 0.35 0.17 1.03 0.02 0.00 0.00 175.30 176.96 1rgf s ARG 69 N 0.18 0.77 -0.17 3.54 1.81 -0.10 -1.72 118.95 123.25 1rgf s ARG 69 Ca 0.11 -0.85 -0.02 0.00 -1.72 0.00 0.00 55.73 53.25 1rgf s ARG 69 Cb -0.12 0.31 -0.01 0.00 -0.45 0.00 0.00 34.95 34.68 1rgf s ARG 69 CO 0.00 -0.23 -0.09 0.42 -0.68 0.00 0.00 175.30 174.72 1rgf s ILE 70 N -3.38 3.21 -0.19 1.52 1.01 -0.31 -1.56 121.20 121.51 1rgf s ILE 70 Ca 0.01 -0.58 -0.05 0.00 0.00 0.00 0.00 60.65 60.04 1rgf s ILE 70 Cb 0.03 -2.40 -0.03 0.00 0.01 0.00 0.00 42.46 40.07 1rgf s ILE 70 CO -0.08 0.48 -0.01 -0.63 0.00 0.00 0.00 174.94 174.70 1rgf s ILE 71 N 0.87 3.94 0.06 2.92 1.09 0.12 -1.10 121.20 129.10 1rgf s ILE 71 Ca -0.02 -0.33 0.02 0.00 -1.10 0.00 0.00 60.65 59.22 1rgf s ILE 71 Cb -0.15 -2.76 -0.04 0.00 -1.06 0.00 0.00 42.46 38.45 1rgf s ILE 71 CO 0.01 0.45 0.12 0.42 -0.10 0.00 0.00 174.94 175.83 1rgf s THR 72 N 0.79 4.80 0.52 2.92 -4.23 -0.08 -0.50 115.64 119.85 1rgf s THR 72 Ca -0.00 -0.61 0.04 0.00 -1.18 0.00 0.00 61.69 59.93 1rgf s THR 72 Cb -0.14 -3.31 0.01 0.00 1.34 0.00 0.00 72.50 70.40 1rgf s THR 72 CO 0.02 0.16 0.22 -0.83 -0.54 0.00 0.00 174.62 173.65 1rgf s GLY 73 N -2.34 2.63 0.41 3.99 0.00 0.04 -1.93 107.32 110.13 1rgf s GLY 73 Ca 0.30 -0.99 0.22 0.00 0.00 0.00 0.00 44.72 44.25 1rgf s GLY 73 CO 0.23 -2.04 1.69 0.83 0.00 0.00 0.00 173.10 173.81 1rgf h GLU 74 N 1.06 0.00 -7.32 2.90 5.08 -1.85 -3.43 114.58 111.01 1rgf h GLU 74 Ca -0.40 0.00 -0.50 0.00 -1.00 0.00 0.00 59.36 57.45 1rgf h GLU 74 Cb 1.30 0.00 0.13 0.00 0.50 0.00 0.00 28.75 30.69 1rgf h GLU 74 CO 0.65 0.23 0.30 0.00 -1.00 0.00 0.00 179.01 179.19 1rgf s ALA 75 N -3.37 2.04 0.07 3.43 0.00 -1.26 -4.93 121.76 117.74 1rgf s ALA 75 Ca 0.03 0.15 -0.31 0.00 0.00 0.00 0.00 51.96 51.83 1rgf s ALA 75 Cb 0.08 -3.24 -0.08 0.00 0.00 0.00 0.00 23.12 19.88 1rgf s ALA 75 CO 0.66 -1.94 1.63 0.99 0.00 0.00 0.00 175.76 177.10 1rgf s THR 76 N -2.92 3.06 -1.13 0.00 2.01 -1.26 -2.15 115.64 113.25 1rgf s THR 76 Ca 0.62 0.53 0.00 0.00 0.31 0.00 0.00 61.69 63.15 1rgf s THR 76 Cb -0.17 -3.34 0.00 0.00 0.01 0.00 0.00 72.50 69.00 1rgf s THR 76 CO 0.56 0.00 0.00 0.00 -0.69 0.00 0.00 174.62 174.49 1rgf n GLN 77 N 5.49 -1.20 -2.77 4.92 1.13 -1.26 -4.90 117.38 118.78 1rgf n GLN 77 Ca 0.16 0.83 -0.43 0.00 -1.94 0.00 0.00 57.00 55.62 1rgf n GLN 77 Cb 0.41 -4.97 -0.02 0.00 0.11 0.00 0.00 30.24 25.76 1rgf n GLN 77 CO 0.00 0.00 0.00 -2.00 -1.44 0.00 0.00 177.06 173.62 1rgf s GLU 78 N -2.73 3.65 -0.08 -1.09 2.12 -0.91 -4.86 118.70 114.79 1rgf s GLU 78 Ca 0.00 -1.59 0.01 0.00 0.36 0.00 0.00 54.97 53.75 1rgf s GLU 78 Cb 0.00 -5.12 0.02 0.00 0.26 0.00 0.00 34.13 29.29 1rgf s GLU 78 CO 0.00 -1.96 -0.08 -0.51 -0.54 0.00 0.00 175.26 172.17 1rgf s ASP 79 N 4.11 1.69 -0.05 -1.70 1.01 -1.26 -0.78 116.67 119.69 1rgf s ASP 79 Ca 0.39 -0.24 0.03 0.00 0.71 0.00 0.00 52.55 53.45 1rgf s ASP 79 Cb -0.02 -0.71 -0.03 0.00 1.01 0.00 0.00 42.92 43.17 1rgf s ASP 79 CO -0.08 -0.05 -0.13 -0.31 0.21 0.00 0.00 175.17 174.80 1rgf s TYR 80 N 1.16 2.73 -0.11 4.23 2.02 0.35 -1.04 117.35 126.69 1rgf s TYR 80 Ca -0.06 -0.14 -0.03 0.00 -0.37 0.00 0.00 57.07 56.47 1rgf s TYR 80 Cb -0.14 -1.63 -0.03 0.00 -0.40 0.00 0.00 41.96 39.75 1rgf s TYR 80 CO -0.02 0.21 0.02 -0.47 -1.57 0.00 0.00 175.55 173.72 1rgf s TYR 81 N -0.75 3.19 -0.05 2.71 5.04 0.12 -0.71 117.35 126.90 1rgf s TYR 81 Ca 0.12 0.14 0.03 0.00 -2.44 0.00 0.00 57.07 54.91 1rgf s TYR 81 Cb -0.11 -1.87 0.01 0.00 0.35 0.00 0.00 41.96 40.34 1rgf s TYR 81 CO 0.01 0.38 -0.12 -0.08 -1.34 0.00 0.00 175.55 174.40 1rgf s THR 82 N -0.54 1.07 -1.53 4.34 -1.32 -0.60 -1.43 115.64 115.63 1rgf s THR 82 Ca 0.09 -0.48 0.13 0.00 -1.21 0.00 0.00 61.69 60.22 1rgf s THR 82 Cb -0.12 -0.96 0.09 0.00 -1.51 0.00 0.00 72.50 70.00 1rgf s THR 82 CO 0.02 0.33 0.88 0.61 -2.21 0.00 0.00 174.62 174.25 1rgf n GLY 83 N 3.55 -0.18 1.50 6.08 0.00 -1.26 -0.92 105.19 113.96 1rgf n GLY 83 Ca -0.21 -0.36 -0.02 0.00 0.00 0.00 0.00 46.02 45.43 1rgf n GLY 83 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1rgf n ASP 84 N 0.62 2.24 -3.48 1.61 5.68 -1.19 -4.42 116.55 117.61 1rgf n ASP 84 Ca 0.07 -3.10 -0.22 0.00 -0.50 0.00 0.00 54.79 51.05 1rgf n ASP 84 Cb 0.31 -0.42 0.06 0.00 -1.14 0.00 0.00 41.12 39.92 1rgf n ASP 84 CO 0.00 0.00 0.00 1.57 -1.33 0.00 0.00 177.20 177.44 1rgf n HIS 85 N -0.54 -2.17 -1.10 2.11 -0.00 -0.32 -3.11 115.22 110.09 1rgf n HIS 85 Ca 0.20 0.72 -0.03 0.00 -0.00 0.00 0.00 57.72 58.60 1rgf n HIS 85 Cb 0.89 -3.99 -0.01 0.00 -0.00 0.00 0.00 29.99 26.87 1rgf n HIS 85 CO 0.00 0.00 0.00 0.66 -0.00 0.00 0.00 176.34 177.00 1rgf n TYR 86 N -3.77 0.00 -0.04 1.57 4.01 -1.26 -4.90 117.16 112.77 1rgf n TYR 86 Ca -0.13 0.00 -0.14 0.00 -0.16 0.00 0.00 57.90 57.47 1rgf n TYR 86 Cb 0.62 -1.25 -0.11 0.00 -0.31 0.00 0.00 39.34 38.29 1rgf n TYR 86 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1rgf h ALA 87 N 0.00 0.02 -3.28 -0.72 0.00 -1.96 -3.46 119.26 109.86 1rgf h ALA 87 Ca -0.07 -0.41 -0.40 0.00 0.00 0.00 0.00 54.91 54.04 1rgf h ALA 87 Cb 0.52 0.00 -0.21 0.00 0.00 0.00 0.00 17.79 18.11 1rgf h ALA 87 CO 0.10 -0.03 -0.77 0.95 0.00 0.00 0.00 179.25 179.50 1rgf s THR 88 N -3.21 1.09 0.03 0.00 -4.23 -1.26 -5.06 115.64 103.00 1rgf s THR 88 Ca -0.17 -1.37 0.03 0.00 -1.18 0.00 0.00 61.69 59.01 1rgf s THR 88 Cb 0.00 -1.12 -0.02 0.00 1.34 0.00 0.00 72.50 72.70 1rgf s THR 88 CO 0.71 -0.28 -0.10 -0.36 -0.54 0.00 0.00 174.62 174.04 1rgf s PHE 89 N -1.48 0.86 0.01 3.99 0.40 -1.26 -4.38 117.98 116.12 1rgf s PHE 89 Ca -0.01 -0.35 0.06 0.00 -0.60 0.00 0.00 56.93 56.04 1rgf s PHE 89 Cb -0.09 -0.52 -0.02 0.00 0.51 0.00 0.00 43.02 42.91 1rgf s PHE 89 CO 0.02 -0.01 -0.18 -1.12 0.70 0.00 0.00 175.22 174.62 1rgf s SER 90 N -1.07 2.13 0.10 1.36 0.01 -0.52 -0.42 113.70 115.29 1rgf s SER 90 Ca -0.02 -0.38 -0.30 0.00 1.31 0.00 0.00 55.95 56.55 1rgf s SER 90 Cb -0.07 -0.21 -0.06 0.00 0.21 0.00 0.00 66.02 65.88 1rgf s SER 90 CO 0.01 0.18 1.10 -0.22 0.41 0.00 0.00 173.24 174.72 1rgf s LEU 91 N -0.68 4.43 -0.09 2.44 2.96 -0.50 -0.70 118.68 126.55 1rgf s LEU 91 Ca 0.06 1.96 -0.24 0.00 -0.22 0.00 0.00 54.13 55.70 1rgf s LEU 91 Cb -0.07 -3.59 -0.03 0.00 0.50 0.00 0.00 46.19 43.00 1rgf s LEU 91 CO 0.00 -0.30 0.72 -0.63 -1.32 0.00 0.00 176.35 174.83 1rgf s ILE 92 N 0.42 5.01 -0.36 6.68 1.01 -0.20 -0.79 121.20 132.98 1rgf s ILE 92 Ca 0.53 1.47 -0.11 0.00 0.00 0.00 0.00 60.65 62.54 1rgf s ILE 92 Cb -0.27 -4.06 0.02 0.00 0.01 0.00 0.00 42.46 38.16 1rgf s ILE 92 CO 0.31 0.20 0.20 -0.62 0.00 0.00 0.00 174.94 175.04 1rgf s ASP 93 N 0.89 5.73 0.00 3.58 -1.08 0.45 -4.78 116.67 121.47 1rgf s ASP 93 Ca 0.37 -0.85 0.25 0.00 -0.52 0.00 0.00 52.55 51.81 1rgf s ASP 93 Cb -0.17 -2.03 1.35 0.00 -1.46 0.00 0.00 42.92 40.60 1rgf s ASP 93 CO 0.17 -0.34 1.89 0.00 0.52 0.00 0.00 175.17 177.41 1rgf n GLN 94 N 5.01 1.21 0.00 4.34 6.02 -1.26 -1.22 117.38 131.49 1rgf n GLN 94 Ca -0.12 -0.32 0.12 0.00 -0.01 0.00 0.00 57.00 56.68 1rgf n GLN 94 Cb 0.47 -1.41 0.18 0.00 1.02 0.00 0.00 30.24 30.49 1rgf n GLN 94 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 177.06 176.30 1rgf n THR 95 N -0.55 0.00 -0.86 5.09 -2.24 -1.26 -4.88 114.28 109.58 1rgf n THR 95 Ca 0.19 -0.39 0.00 0.00 -2.27 0.00 0.00 64.05 61.58 1rgf n THR 95 Cb 0.17 1.21 0.00 0.00 -2.10 0.00 0.00 70.33 69.61 1rgf n THR 95 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50