#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rmj n TYR -26 N 0.00 -3.82 -2.27 1.43 4.02 -1.26 -4.78 117.16 110.48 1rmj n TYR -26 Ca 0.00 1.86 -0.37 0.00 -0.01 0.00 0.00 57.90 59.38 1rmj n TYR -26 Cb 0.00 -3.75 -0.04 0.00 -0.02 0.00 0.00 39.34 35.54 1rmj n TYR -26 CO 0.00 0.00 0.00 0.71 -1.01 0.00 0.00 176.86 176.56 1rmj s TYR -25 N -1.30 2.02 -1.16 -0.72 2.02 -1.26 -4.87 117.35 112.08 1rmj s TYR -25 Ca -0.08 0.22 -0.11 0.00 -0.37 0.00 0.00 57.07 56.73 1rmj s TYR -25 Cb 0.01 -4.33 -0.07 0.00 -0.40 0.00 0.00 41.96 37.17 1rmj s TYR -25 CO 0.72 -2.04 2.31 -2.39 -1.57 0.00 0.00 175.55 172.59 1rmj n HIS -24 N 11.47 2.07 -1.78 2.71 1.44 -1.26 -4.91 115.22 124.96 1rmj n HIS -24 Ca 0.24 -2.38 -0.43 0.00 -2.01 0.00 0.00 57.72 53.14 1rmj n HIS -24 Cb 0.50 -2.03 -0.03 0.00 0.12 0.00 0.00 29.99 28.55 1rmj n HIS -24 CO 0.00 0.00 0.00 -3.38 -2.81 0.00 0.00 176.34 170.15 1rmj s HIS -23 N 3.37 1.48 -0.28 -1.40 -3.43 -1.26 -4.93 115.29 108.84 1rmj s HIS -23 Ca 0.52 0.23 -0.17 0.00 -0.80 0.00 0.00 55.06 54.84 1rmj s HIS -23 Cb 0.14 -4.05 0.09 0.00 -1.43 0.00 0.00 32.58 27.33 1rmj s HIS -23 CO -0.02 -4.19 0.74 -3.38 -2.00 0.00 0.00 174.74 165.88 1rmj s HIS -22 N 6.19 -0.97 0.18 0.38 -3.43 -1.26 -5.16 115.29 111.22 1rmj s HIS -22 Ca 0.88 1.97 -0.04 0.00 -0.80 0.00 0.00 55.06 57.07 1rmj s HIS -22 Cb -0.33 0.56 -0.05 0.00 -1.43 0.00 0.00 32.58 31.33 1rmj s HIS -22 CO 0.35 -0.48 0.41 -1.01 -2.00 0.00 0.00 174.74 172.01 1rmj s HIS -21 N 1.46 3.47 -1.39 0.38 3.76 -1.26 -4.99 115.29 116.73 1rmj s HIS -21 Ca -0.09 0.52 -0.12 0.00 -0.15 0.00 0.00 55.06 55.22 1rmj s HIS -21 Cb -0.05 -1.98 0.09 0.00 1.11 0.00 0.00 32.58 31.75 1rmj s HIS -21 CO -0.17 0.38 2.09 1.58 -0.85 0.00 0.00 174.74 177.76 1rmj n HIS -20 N -0.25 3.27 -3.71 1.40 -0.00 -1.26 -4.53 115.22 110.13 1rmj n HIS -20 Ca -0.03 -2.90 -0.31 0.00 0.46 0.00 0.00 57.72 54.94 1rmj n HIS -20 Cb 0.53 -2.30 0.04 0.00 -0.12 0.00 0.00 29.99 28.14 1rmj n HIS -20 CO 0.00 0.00 0.00 1.58 0.46 0.00 0.00 176.34 178.38 1rmj n HIS -19 N 5.13 -1.88 -2.22 1.57 -0.00 -1.26 -4.77 115.22 111.79 1rmj n HIS -19 Ca 0.47 0.46 -0.32 0.00 0.46 0.00 0.00 57.72 58.79 1rmj n HIS -19 Cb 0.38 -3.46 -0.04 0.00 -0.12 0.00 0.00 29.99 26.75 1rmj n HIS -19 CO 0.00 0.00 0.00 -0.51 0.46 0.00 0.00 176.34 176.29 1rmj s ASP -18 N -3.54 5.56 0.18 0.26 1.11 -1.26 -4.94 116.67 114.04 1rmj s ASP -18 Ca 0.44 -1.84 -0.23 0.00 0.18 0.00 0.00 52.55 51.09 1rmj s ASP -18 Cb -0.16 -2.59 -0.08 0.00 1.07 0.00 0.00 42.92 41.17 1rmj s ASP -18 CO 0.87 -2.52 0.75 -0.47 1.18 0.00 0.00 175.17 174.98 1rmj s TYR -17 N 9.01 3.81 -0.16 4.23 5.04 -1.26 -5.05 117.35 132.97 1rmj s TYR -17 Ca 0.64 1.54 -0.03 0.00 -2.44 0.00 0.00 57.07 56.78 1rmj s TYR -17 Cb 0.00 -2.71 0.05 0.00 0.35 0.00 0.00 41.96 39.66 1rmj s TYR -17 CO 0.11 0.45 0.04 0.34 -1.34 0.00 0.00 175.55 175.15 1rmj s ASP -16 N -1.33 2.48 -0.34 4.32 2.15 -1.26 -5.11 116.67 117.59 1rmj s ASP -16 Ca 0.38 -0.61 -0.16 0.00 0.43 0.00 0.00 52.55 52.59 1rmj s ASP -16 Cb -0.21 -0.48 -0.01 0.00 -0.30 0.00 0.00 42.92 41.92 1rmj s ASP -16 CO 0.24 -0.29 0.41 -0.63 -0.17 0.00 0.00 175.17 174.73 1rmj s ILE -15 N 1.94 5.12 -1.04 4.11 1.01 -1.26 -4.98 121.20 126.10 1rmj s ILE -15 Ca 0.01 0.20 -0.23 0.00 0.00 0.00 0.00 60.65 60.64 1rmj s ILE -15 Cb -0.16 -3.85 -0.12 0.00 0.01 0.00 0.00 42.46 38.34 1rmj s ILE -15 CO -0.07 -0.10 1.93 -0.81 0.00 0.00 0.00 174.94 175.88 1rmj n PRO -14 N 5.49 1.53 0.10 2.79 -0.04 -1.26 -4.65 135.00 138.96 1rmj n PRO -14 Ca -0.08 -2.26 -0.04 0.00 -0.04 0.00 0.00 63.50 61.09 1rmj n PRO -14 Cb 0.49 -3.48 0.03 0.00 -0.04 0.00 0.00 33.50 30.51 1rmj n PRO -14 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1rmj h THR -13 N 5.65 1.56 0.18 0.52 1.03 -2.00 -3.02 112.91 116.83 1rmj h THR -13 Ca 0.28 -2.75 -0.01 0.00 -0.01 0.00 0.00 66.41 63.91 1rmj h THR -13 Cb 0.86 2.49 0.00 0.00 -1.07 0.00 0.00 68.15 70.43 1rmj h THR -13 CO 1.45 0.78 -0.09 0.71 -0.01 0.00 0.00 175.52 178.37 1rmj h THR -12 N 0.00 0.68 -0.39 0.00 1.35 -2.01 -3.21 112.91 109.32 1rmj h THR -12 Ca -0.01 -1.09 0.11 0.00 -0.55 0.00 0.00 66.41 64.87 1rmj h THR -12 Cb 1.43 1.16 -0.02 0.00 -1.73 0.00 0.00 68.15 68.99 1rmj h THR -12 CO 0.10 0.18 0.42 -0.33 -0.25 0.00 0.00 175.52 175.65 1rmj h GLU -11 N -0.93 0.00 0.00 4.72 3.07 -1.95 0.32 114.58 119.81 1rmj h GLU -11 Ca -0.02 0.00 -0.02 0.00 -0.50 0.00 0.00 59.36 58.82 1rmj h GLU -11 Cb 0.49 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 28.39 1rmj h GLU -11 CO 0.04 0.00 -0.09 -0.97 -1.40 0.00 0.00 179.01 176.59 1rmj h ASN -10 N 0.00 0.00 -0.28 1.42 -0.73 -1.52 -0.91 115.58 113.55 1rmj h ASN -10 Ca 0.19 0.00 0.00 0.00 1.87 0.00 0.00 56.30 58.36 1rmj h ASN -10 Cb 1.03 0.00 0.00 0.00 0.27 0.00 0.00 38.32 39.62 1rmj h ASN -10 CO -0.00 0.09 0.00 -0.11 -0.37 0.00 0.00 177.43 177.04 1rmj n LEU -9 N -3.98 2.54 0.00 0.34 -0.00 0.11 -4.37 117.00 111.64 1rmj n LEU -9 Ca -0.02 -1.09 0.04 0.00 -0.00 0.00 0.00 56.01 54.94 1rmj n LEU -9 Cb 0.18 -0.18 0.25 0.00 -0.00 0.00 0.00 43.42 43.67 1rmj n LEU -9 CO 0.31 0.54 0.45 -1.22 -0.00 0.00 0.00 177.39 177.48 1rmj n TYR -8 N 0.89 0.00 -2.39 1.96 4.02 -0.35 -4.73 117.16 116.57 1rmj n TYR -8 Ca 0.17 0.00 -0.41 0.00 -0.01 0.00 0.00 57.90 57.65 1rmj n TYR -8 Cb 0.46 0.00 -0.03 0.00 -0.02 0.00 0.00 39.34 39.75 1rmj n TYR -8 CO 0.00 0.00 0.00 0.12 -1.01 0.00 0.00 176.86 175.97 1rmj s PHE -7 N -2.00 3.44 -1.03 -0.72 5.36 -1.26 -4.89 117.98 116.88 1rmj s PHE -7 Ca 0.12 1.44 -0.20 0.00 -0.96 0.00 0.00 56.93 57.33 1rmj s PHE -7 Cb 0.06 -3.42 -0.09 0.00 -0.34 0.00 0.00 43.02 39.23 1rmj s PHE -7 CO 0.10 -1.15 1.97 1.04 -1.46 0.00 0.00 175.22 175.72 1rmj n GLN -6 N 2.48 1.93 -1.30 10.12 1.13 -1.26 -4.70 117.38 125.77 1rmj n GLN -6 Ca 0.04 -2.24 -0.29 0.00 -1.94 0.00 0.00 57.00 52.57 1rmj n GLN -6 Cb 0.45 -3.20 0.04 0.00 0.11 0.00 0.00 30.24 27.64 1rmj n GLN -6 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1rmj n GLY -5 N 4.77 5.11 0.29 1.08 0.00 -1.26 -4.62 105.19 110.55 1rmj n GLY -5 Ca 0.49 -1.92 -0.02 0.00 0.00 0.00 0.00 46.02 44.57 1rmj n GLY -5 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1rmj h ALA -4 N 2.11 1.00 -1.83 4.61 0.00 -1.96 -3.43 119.26 119.76 1rmj h ALA -4 Ca 0.48 -0.02 -0.49 0.00 0.00 0.00 0.00 54.91 54.88 1rmj h ALA -4 Cb 0.71 -0.22 -0.04 0.00 0.00 0.00 0.00 17.79 18.25 1rmj h ALA -4 CO 1.24 0.23 -0.44 0.00 0.00 0.00 0.00 179.25 180.27 1rmj s MET -3 N -6.10 2.74 -0.78 0.00 0.23 -1.26 -4.90 119.30 109.23 1rmj s MET -3 Ca -0.13 -1.29 -0.12 0.00 -1.03 0.00 0.00 55.69 53.12 1rmj s MET -3 Cb 0.16 -2.49 -0.09 0.00 -1.53 0.00 0.00 34.83 30.88 1rmj s MET -3 CO 0.78 0.08 1.95 0.41 -2.03 0.00 0.00 175.02 176.20 1rmj n GLY -2 N -1.40 2.76 3.68 3.16 0.00 0.32 -4.62 105.19 109.09 1rmj n GLY -2 Ca -0.01 -0.94 -0.20 0.00 0.00 0.00 0.00 46.02 44.87 1rmj n GLY -2 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1rmj n SER -1 N 5.54 -0.89 -2.27 1.61 7.64 -1.26 -4.59 113.62 119.39 1rmj n SER -1 Ca 0.43 -0.64 -0.02 0.00 1.01 0.00 0.00 58.87 59.65 1rmj n SER -1 Cb 0.22 -0.78 0.02 0.00 -1.01 0.00 0.00 64.21 62.66 1rmj n SER -1 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1rmj n GLY 1 N -1.63 -1.52 0.23 0.23 0.00 -1.18 -4.88 105.19 96.44 1rmj n GLY 1 Ca -0.10 -1.61 -0.08 0.00 0.00 0.00 0.00 46.02 44.23 1rmj n GLY 1 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1rmj h PRO 2 N 0.00 0.59 -0.25 1.61 0.13 -1.74 -3.18 132.00 129.16 1rmj h PRO 2 Ca -0.03 -0.30 -0.20 0.00 -0.87 0.00 0.00 66.00 64.60 1rmj h PRO 2 Cb 0.10 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.24 1rmj h PRO 2 CO 0.02 0.89 -0.61 0.00 -0.23 0.00 0.00 178.00 178.07 1rmj h ARG 4 N 0.62 0.39 -0.49 0.00 1.12 -1.51 0.43 114.38 114.94 1rmj h ARG 4 Ca -0.01 -0.02 -0.10 0.00 -1.11 0.00 0.00 59.98 58.75 1rmj h ARG 4 Cb 1.23 -0.09 -0.02 0.00 -0.01 0.00 0.00 29.97 31.08 1rmj h ARG 4 CO 0.13 0.26 -0.08 0.07 -3.11 0.00 0.00 179.97 177.24 1rmj h ARG 5 N 0.40 0.88 -0.19 0.20 0.11 -1.61 -1.12 114.38 113.04 1rmj h ARG 5 Ca 0.24 -0.29 -0.11 0.00 0.10 0.00 0.00 59.98 59.93 1rmj h ARG 5 Cb 0.23 -0.07 -0.00 0.00 1.11 0.00 0.00 29.97 31.23 1rmj h ARG 5 CO -0.22 0.92 -0.29 0.45 0.10 0.00 0.00 179.97 180.93 1rmj h HIS 6 N 0.79 0.66 -0.78 4.08 3.86 -1.32 -2.70 115.15 119.75 1rmj h HIS 6 Ca 0.14 -0.23 0.04 0.00 -1.16 0.00 0.00 60.37 59.16 1rmj h HIS 6 Cb 0.58 -0.13 -0.05 0.00 1.06 0.00 0.00 27.41 28.87 1rmj h HIS 6 CO 0.03 0.94 0.48 1.25 0.86 0.00 0.00 177.93 181.50 1rmj h LEU 7 N 0.20 0.78 -0.42 2.43 6.46 -0.01 0.56 115.31 125.31 1rmj h LEU 7 Ca 0.02 0.01 0.05 0.00 -0.12 0.00 0.00 57.88 57.84 1rmj h LEU 7 Cb 0.87 -0.16 -0.05 0.00 -0.73 0.00 0.00 40.66 40.60 1rmj h LEU 7 CO 0.07 0.52 0.15 -0.78 -0.62 0.00 0.00 178.44 177.78 1rmj h ASP 8 N 0.92 0.16 -0.09 1.25 3.58 -1.11 1.03 116.42 122.16 1rmj h ASP 8 Ca 0.32 0.05 -0.02 0.00 0.42 0.00 0.00 57.03 57.80 1rmj h ASP 8 Cb 0.08 0.03 -0.00 0.00 1.72 0.00 0.00 39.33 41.16 1rmj h ASP 8 CO -0.14 0.12 -0.04 0.28 -2.88 0.00 0.00 179.24 176.59 1rmj h SER 9 N 0.32 0.19 -0.25 2.28 0.02 -0.99 0.86 113.55 115.98 1rmj h SER 9 Ca 0.20 -0.41 -0.00 0.00 -0.84 0.00 0.00 61.79 60.74 1rmj h SER 9 Cb 0.18 -0.05 -0.01 0.00 0.14 0.00 0.00 62.40 62.66 1rmj h SER 9 CO -0.20 0.56 0.15 0.58 -1.14 0.00 0.00 176.83 176.78 1rmj h VAL 10 N -0.17 1.09 -0.42 2.27 2.07 0.59 0.53 116.25 122.20 1rmj h VAL 10 Ca 0.02 -0.21 -0.13 0.00 0.82 0.00 0.00 66.70 67.20 1rmj h VAL 10 Cb 0.48 0.78 -0.01 0.00 -1.52 0.00 0.00 31.29 31.02 1rmj h VAL 10 CO 0.01 0.09 -0.26 0.17 0.02 0.00 0.00 177.57 177.60 1rmj h LEU 11 N 0.32 0.90 -0.24 2.57 8.10 0.11 0.56 115.31 127.63 1rmj h LEU 11 Ca 0.09 -0.35 -0.14 0.00 0.11 0.00 0.00 57.88 57.59 1rmj h LEU 11 Cb 0.01 -0.25 -0.00 0.00 -0.44 0.00 0.00 40.66 39.98 1rmj h LEU 11 CO -0.02 1.11 -0.38 0.06 -4.11 0.00 0.00 178.44 175.10 1rmj h GLN 12 N 0.75 0.69 -0.08 0.17 3.07 -0.55 -3.19 115.11 115.96 1rmj h GLN 12 Ca 0.09 -0.41 -0.16 0.00 0.09 0.00 0.00 58.65 58.26 1rmj h GLN 12 Cb 0.81 0.04 -0.01 0.00 0.08 0.00 0.00 27.48 28.40 1rmj h GLN 12 CO 0.07 1.03 -0.65 1.96 0.09 0.00 0.00 178.83 181.33 1rmj h GLN 13 N 0.40 0.31 -0.99 0.06 4.20 0.13 -3.28 115.11 115.95 1rmj h GLN 13 Ca 0.02 -0.23 0.21 0.00 0.06 0.00 0.00 58.65 58.72 1rmj h GLN 13 Cb 0.97 0.04 -0.12 0.00 0.30 0.00 0.00 27.48 28.67 1rmj h GLN 13 CO 0.09 0.85 0.58 1.25 -0.67 0.00 0.00 178.83 180.93 1rmj h LEU 14 N 0.22 0.70 -0.26 1.46 6.46 0.15 2.38 115.31 126.42 1rmj h LEU 14 Ca -0.01 0.12 -0.05 0.00 -0.12 0.00 0.00 57.88 57.81 1rmj h LEU 14 Cb 1.18 0.00 -0.01 0.00 -0.73 0.00 0.00 40.66 41.11 1rmj h LEU 14 CO 0.11 0.18 -0.26 1.56 -0.62 0.00 0.00 178.44 179.41 1rmj h GLN 15 N 0.66 0.00 0.00 1.25 4.20 -1.66 -3.25 115.11 116.31 1rmj h GLN 15 Ca 0.60 0.00 -0.36 0.00 0.06 0.00 0.00 58.65 58.95 1rmj h GLN 15 Cb 1.04 0.00 -0.07 0.00 0.30 0.00 0.00 27.48 28.75 1rmj h GLN 15 CO -0.43 0.26 -2.35 2.41 -0.67 0.00 0.00 178.83 178.05 1rmj n THR 16 N -3.20 1.35 -1.07 -0.54 -1.04 0.13 -4.41 114.28 105.51 1rmj n THR 16 Ca 0.02 -0.72 -0.24 0.00 -2.04 0.00 0.00 64.05 61.07 1rmj n THR 16 Cb 0.59 -0.79 0.06 0.00 -1.82 0.00 0.00 70.33 68.37 1rmj n THR 16 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 1rmj n GLU 17 N -2.89 2.18 0.22 -2.82 1.02 0.78 -4.58 120.64 114.55 1rmj n GLU 17 Ca -0.36 -2.30 0.15 0.00 -0.02 0.00 0.00 57.16 54.64 1rmj n GLU 17 Cb 1.07 -1.90 0.79 0.00 -0.02 0.00 0.00 31.44 31.38 1rmj n GLU 17 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 1rmj h VAL 18 N 0.99 0.00 -0.60 2.62 2.07 -1.75 0.55 116.25 120.14 1rmj h VAL 18 Ca 0.43 -0.06 0.11 0.00 0.82 0.00 0.00 66.70 68.00 1rmj h VAL 18 Cb 0.89 0.76 -0.08 0.00 -1.52 0.00 0.00 31.29 31.34 1rmj h VAL 18 CO 1.11 0.00 0.16 0.10 0.02 0.00 0.00 177.57 178.97 1rmj h TYR 19 N 0.00 0.27 0.07 1.57 -0.00 -1.91 0.36 116.97 117.32 1rmj h TYR 19 Ca 0.00 0.03 -0.32 0.00 -0.00 0.00 0.00 58.73 58.44 1rmj h TYR 19 Cb 0.07 -0.03 -0.03 0.00 -0.00 0.00 0.00 36.73 36.74 1rmj h TYR 19 CO 0.00 0.01 -1.79 -0.09 -0.00 0.00 0.00 178.16 176.29 1rmj h ARG 20 N 0.31 0.15 -0.43 0.10 1.12 -1.67 -3.34 114.38 110.61 1rmj h ARG 20 Ca 0.31 -0.26 0.09 0.00 -1.11 0.00 0.00 59.98 59.01 1rmj h ARG 20 Cb 0.44 0.10 -0.08 0.00 -0.01 0.00 0.00 29.97 30.41 1rmj h ARG 20 CO -0.37 0.89 -0.13 0.78 -3.11 0.00 0.00 179.97 178.04 1rmj h GLY 21 N 2.22 0.28 1.72 2.80 0.00 0.12 0.84 103.07 111.05 1rmj h GLY 21 Ca -0.33 0.16 0.00 0.00 0.00 0.00 0.00 47.33 47.16 1rmj h GLY 21 CO 0.10 -0.17 0.00 0.00 0.00 0.00 0.00 176.54 176.46 1rmj n ALA 22 N -2.79 2.09 -0.07 3.60 0.00 0.12 -3.86 120.51 119.60 1rmj n ALA 22 Ca 0.03 -0.09 -0.11 0.00 0.00 0.00 0.00 53.44 53.26 1rmj n ALA 22 Cb 0.25 -1.36 -0.04 0.00 0.00 0.00 0.00 19.45 18.30 1rmj n ALA 22 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1rmj n GLN 23 N -1.36 0.41 -2.59 0.00 6.02 0.15 0.15 117.38 120.16 1rmj n GLN 23 Ca 0.09 0.17 -0.02 0.00 -0.01 0.00 0.00 57.00 57.23 1rmj n GLN 23 Cb 0.20 -1.21 0.12 0.00 1.02 0.00 0.00 30.24 30.37 1rmj n GLN 23 CO 0.00 0.00 0.00 2.41 -1.01 0.00 0.00 177.06 178.46 1rmj n THR 24 N -4.14 0.00 -2.49 5.09 -1.04 0.24 -4.04 114.28 107.89 1rmj n THR 24 Ca -0.19 -0.93 -0.43 0.00 -2.04 0.00 0.00 64.05 60.46 1rmj n THR 24 Cb 0.50 0.97 -0.02 0.00 -1.82 0.00 0.00 70.33 69.95 1rmj n THR 24 CO 0.00 0.00 0.00 -0.76 -0.64 0.00 0.00 175.07 173.67 1rmj s LEU 25 N -3.85 4.22 -0.08 -4.42 1.43 0.06 -4.18 118.68 111.86 1rmj s LEU 25 Ca 0.08 1.69 -0.11 0.00 -1.03 0.00 0.00 54.13 54.76 1rmj s LEU 25 Cb 0.42 -3.55 -0.05 0.00 0.03 0.00 0.00 46.19 43.04 1rmj s LEU 25 CO -0.12 -0.65 0.28 -0.72 0.23 0.00 0.00 176.35 175.37 1rmj s TYR 26 N 2.80 3.63 -0.15 0.29 -0.85 -1.25 0.33 117.35 122.15 1rmj s TYR 26 Ca 0.53 0.73 0.00 0.00 -0.52 0.00 0.00 57.07 57.82 1rmj s TYR 26 Cb -0.22 -2.15 -0.00 0.00 0.38 0.00 0.00 41.96 39.97 1rmj s TYR 26 CO 0.17 0.61 -0.15 0.08 -1.52 0.00 0.00 175.55 174.74 1rmj s VAL 27 N -0.79 2.71 0.29 -3.49 1.01 0.36 -4.90 120.40 115.60 1rmj s VAL 27 Ca 0.19 -0.76 -0.14 0.00 0.00 0.00 0.00 61.98 61.27 1rmj s VAL 27 Cb -0.14 -2.14 -0.08 0.00 0.00 0.00 0.00 36.38 34.02 1rmj s VAL 27 CO 0.08 0.52 0.69 -2.16 0.00 0.00 0.00 175.10 174.22 1rmj s PRO 28 N 0.72 3.98 -0.08 2.72 0.04 -1.26 -2.19 135.00 138.93 1rmj s PRO 28 Ca -0.07 0.59 -0.14 0.00 0.04 0.00 0.00 61.00 61.42 1rmj s PRO 28 Cb -0.16 -2.52 -0.05 0.00 0.04 0.00 0.00 34.50 31.81 1rmj s PRO 28 CO 0.01 0.22 0.35 1.21 0.04 0.00 0.00 177.00 178.83 1rmj s ASN 29 N -2.23 6.62 0.00 6.66 3.04 0.17 -4.92 114.94 124.28 1rmj s ASN 29 Ca 0.51 0.74 0.03 0.00 0.04 0.00 0.00 52.86 54.19 1rmj s ASN 29 Cb -0.11 -2.21 -0.01 0.00 -1.54 0.00 0.00 41.25 37.38 1rmj s ASN 29 CO 0.18 0.21 -0.11 0.00 -3.04 0.00 0.00 177.10 174.35 1rmj s ASP 31 N -0.44 4.37 0.62 0.00 -4.77 -0.84 -4.83 116.67 110.79 1rmj s ASP 31 Ca 0.03 -0.47 0.25 0.00 -3.30 0.00 0.00 52.55 49.06 1rmj s ASP 31 Cb -0.05 0.11 1.18 0.00 -1.09 0.00 0.00 42.92 43.07 1rmj s ASP 31 CO -0.00 -1.85 1.63 0.45 0.70 0.00 0.00 175.17 176.10 1rmj h HIS 32 N -0.48 0.00 -0.42 2.11 3.86 -1.91 0.55 115.15 118.86 1rmj h HIS 32 Ca -0.35 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 58.86 1rmj h HIS 32 Cb 1.27 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.74 1rmj h HIS 32 CO -0.16 0.00 0.00 2.89 0.86 0.00 0.00 177.93 181.52 1rmj n ARG 33 N -3.26 2.51 -0.79 2.45 0.00 -1.26 0.12 116.66 116.42 1rmj n ARG 33 Ca 0.09 -1.74 0.00 0.00 -0.00 0.00 0.00 57.85 56.20 1rmj n ARG 33 Cb 0.87 -1.56 0.00 0.00 -0.00 0.00 0.00 32.46 31.77 1rmj n ARG 33 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1rmj n GLY 34 N 0.94 0.37 3.83 2.89 0.00 0.19 -3.08 105.19 110.34 1rmj n GLY 34 Ca 0.16 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.85 1rmj n GLY 34 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1rmj s PHE 35 N -2.07 3.36 -0.60 1.61 0.40 -1.26 0.85 117.98 120.28 1rmj s PHE 35 Ca 0.00 1.53 -0.26 0.00 -0.60 0.00 0.00 56.93 57.59 1rmj s PHE 35 Cb 0.00 -2.80 -0.03 0.00 0.51 0.00 0.00 43.02 40.70 1rmj s PHE 35 CO 0.00 -0.17 1.96 0.71 0.70 0.00 0.00 175.22 178.41 1rmj s TYR 36 N -2.31 1.56 -0.02 0.36 1.51 -0.44 -1.98 117.35 116.03 1rmj s TYR 36 Ca 0.60 0.92 -0.01 0.00 -1.01 0.00 0.00 57.07 57.57 1rmj s TYR 36 Cb -0.09 -4.00 -0.01 0.00 -0.11 0.00 0.00 41.96 37.75 1rmj s TYR 36 CO 0.19 -2.33 0.14 -0.09 -1.11 0.00 0.00 175.55 172.36 1rmj h ARG 37 N 15.63 -0.04 0.00 -0.62 9.65 -1.70 -3.20 114.38 134.10 1rmj h ARG 37 Ca -0.25 0.00 -0.29 0.00 -1.10 0.00 0.00 59.98 58.35 1rmj h ARG 37 Cb 1.17 0.01 -0.04 0.00 -1.39 0.00 0.00 29.97 29.72 1rmj h ARG 37 CO 1.21 -0.03 -1.93 1.17 2.80 0.00 0.00 179.97 183.19 1rmj n LYS 38 N -2.76 0.48 -4.45 0.20 4.81 -1.26 -4.55 118.16 110.63 1rmj n LYS 38 Ca -0.01 0.21 -0.25 0.00 -0.87 0.00 0.00 58.31 57.39 1rmj n LYS 38 Cb 0.02 -1.31 -0.11 0.00 0.02 0.00 0.00 35.03 33.65 1rmj n LYS 38 CO 0.00 0.00 0.00 0.50 1.17 0.00 0.00 177.40 179.07 1rmj s ARG 39 N -2.51 1.61 -0.03 1.64 3.00 -1.26 0.17 118.95 121.58 1rmj s ARG 39 Ca -0.30 -1.68 -0.01 0.00 -1.00 0.00 0.00 55.73 52.74 1rmj s ARG 39 Cb 0.10 -1.78 0.03 0.00 0.00 0.00 0.00 34.95 33.30 1rmj s ARG 39 CO 0.40 0.35 0.05 -0.65 0.00 0.00 0.00 175.30 175.45 1rmj s GLN 40 N -3.21 0.00 0.01 5.12 -0.21 -0.39 0.45 119.66 121.43 1rmj s GLN 40 Ca 0.26 0.20 0.00 0.00 0.02 0.00 0.00 55.36 55.84 1rmj s GLN 40 Cb -0.06 -0.18 -0.01 0.00 1.00 0.00 0.00 33.01 33.76 1rmj s GLN 40 CO 0.13 -0.14 -0.02 0.00 -2.12 0.00 0.00 175.29 173.14 1rmj s ARG 42 N -0.76 4.29 -0.03 0.00 0.52 -1.07 -0.49 118.95 121.41 1rmj s ARG 42 Ca -0.08 0.40 0.03 0.00 -0.52 0.00 0.00 55.73 55.55 1rmj s ARG 42 Cb -0.05 -3.41 -0.03 0.00 0.52 0.00 0.00 34.95 31.98 1rmj s ARG 42 CO -0.00 0.23 -0.09 -1.12 0.02 0.00 0.00 175.30 174.33 1rmj s SER 43 N 0.42 4.49 0.24 0.23 0.01 0.15 -2.98 113.70 116.25 1rmj s SER 43 Ca 0.24 -0.12 0.04 0.00 1.31 0.00 0.00 55.95 57.42 1rmj s SER 43 Cb -0.15 -1.05 -0.05 0.00 0.21 0.00 0.00 66.02 64.98 1rmj s SER 43 CO 0.10 0.32 -0.01 -0.44 0.41 0.00 0.00 173.24 173.63 1rmj s SER 44 N -1.06 1.97 0.51 2.44 0.01 0.57 -0.76 113.70 117.38 1rmj s SER 44 Ca 0.14 -1.23 0.23 0.00 1.31 0.00 0.00 55.95 56.40 1rmj s SER 44 Cb -0.11 -0.02 1.33 0.00 0.21 0.00 0.00 66.02 67.43 1rmj s SER 44 CO 0.04 -0.50 2.01 0.06 0.41 0.00 0.00 173.24 175.25 1rmj h GLN 45 N 2.43 0.06 0.00 12.44 3.07 0.12 -2.49 115.11 130.74 1rmj h GLN 45 Ca -0.39 -0.00 -0.02 0.00 0.09 0.00 0.00 58.65 58.33 1rmj h GLN 45 Cb 1.23 -0.01 -0.00 0.00 0.08 0.00 0.00 27.48 28.77 1rmj h GLN 45 CO 0.65 0.04 -0.15 0.78 0.09 0.00 0.00 178.83 180.25 1rmj h GLY 46 N 0.07 0.00 -7.48 0.06 0.00 -1.95 -3.41 103.07 90.35 1rmj h GLY 46 Ca 0.23 0.00 -0.73 0.00 0.00 0.00 0.00 47.33 46.84 1rmj h GLY 46 CO -0.02 0.00 -0.31 1.20 0.00 0.00 0.00 176.54 177.42 1rmj s GLN 47 N -2.10 2.67 0.52 4.80 -0.21 -0.95 -4.91 119.66 119.47 1rmj s GLN 47 Ca -0.16 -2.14 0.35 0.00 0.02 0.00 0.00 55.36 53.43 1rmj s GLN 47 Cb -0.01 -3.93 1.72 0.00 1.00 0.00 0.00 33.01 31.79 1rmj s GLN 47 CO 0.53 -1.20 2.05 0.00 -2.12 0.00 0.00 175.29 174.56 1rmj h ARG 48 N 7.85 0.00 -1.91 2.91 3.08 -1.76 0.16 114.38 124.71 1rmj h ARG 48 Ca -0.09 0.00 -0.52 0.00 0.07 0.00 0.00 59.98 59.45 1rmj h ARG 48 Cb 1.03 0.00 -0.35 0.00 0.08 0.00 0.00 29.97 30.73 1rmj h ARG 48 CO 0.78 0.00 -0.97 2.89 -1.07 0.00 0.00 179.97 181.60 1rmj n ARG 49 N -2.82 0.50 0.00 0.04 0.00 -1.26 -4.64 116.66 108.48 1rmj n ARG 49 Ca -0.01 -3.00 0.00 0.00 -0.00 0.00 0.00 57.85 54.84 1rmj n ARG 49 Cb 0.15 -1.42 0.00 0.00 -0.00 0.00 0.00 32.46 31.19 1rmj n ARG 49 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1rmj n GLY 50 N 2.07 2.40 3.75 2.89 0.00 -1.19 -4.57 105.19 110.54 1rmj n GLY 50 Ca 0.23 -0.35 -0.40 0.00 0.00 0.00 0.00 46.02 45.50 1rmj n GLY 50 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1rmj s PRO 51 N -1.79 4.76 0.06 1.61 0.04 -1.16 -4.26 135.00 134.26 1rmj s PRO 51 Ca 0.00 1.59 -0.07 0.00 0.04 0.00 0.00 61.00 62.56 1rmj s PRO 51 Cb 0.00 -3.27 -0.05 0.00 0.04 0.00 0.00 34.50 31.22 1rmj s PRO 51 CO 0.00 0.36 0.33 0.00 0.04 0.00 0.00 177.00 177.73 1rmj s TRP 53 N -1.40 0.56 0.49 0.00 -2.14 -0.33 -4.98 118.94 111.14 1rmj s TRP 53 Ca 0.32 -0.77 -0.18 0.00 2.66 0.00 0.00 56.10 58.13 1rmj s TRP 53 Cb -0.13 -0.36 -0.09 0.00 -3.10 0.00 0.00 33.47 29.79 1rmj s TRP 53 CO 0.19 -0.22 0.99 0.00 -2.66 0.00 0.00 176.95 175.25 1rmj s VAL 55 N -2.38 0.06 0.75 0.00 -7.23 0.13 -0.10 120.40 111.62 1rmj s VAL 55 Ca 0.61 -1.83 -0.01 0.00 -1.81 0.00 0.00 61.98 58.94 1rmj s VAL 55 Cb -0.11 -2.18 0.14 0.00 0.56 0.00 0.00 36.38 34.80 1rmj s VAL 55 CO 0.24 -0.26 1.03 1.51 -0.31 0.00 0.00 175.10 177.31 1rmj s ASP 56 N -3.07 4.19 0.54 4.85 -4.77 -0.13 -4.46 116.67 113.82 1rmj s ASP 56 Ca 0.28 -0.42 0.29 0.00 -3.30 0.00 0.00 52.55 49.40 1rmj s ASP 56 Cb 0.06 0.12 1.45 0.00 -1.09 0.00 0.00 42.92 43.46 1rmj s ASP 56 CO 0.05 -1.98 1.94 0.08 0.70 0.00 0.00 175.17 175.96 1rmj h ARG 57 N -0.62 0.00 0.00 2.11 0.11 -1.80 0.19 114.38 114.36 1rmj h ARG 57 Ca -0.35 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.73 1rmj h ARG 57 Cb 1.26 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.34 1rmj h ARG 57 CO 0.38 0.00 -0.42 0.52 0.10 0.00 0.00 179.97 180.55 1rmj h MET 58 N 0.00 0.00 0.00 0.08 2.86 -1.93 -1.15 114.93 114.79 1rmj h MET 58 Ca 0.35 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.99 1rmj h MET 58 Cb 1.40 0.00 0.00 0.00 0.06 0.00 0.00 31.60 33.06 1rmj h MET 58 CO -0.00 0.00 0.00 0.41 1.06 0.00 0.00 176.91 178.38 1rmj n GLY 59 N 1.31 1.03 3.71 8.32 0.00 0.66 -4.76 105.19 115.46 1rmj n GLY 59 Ca 0.04 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.64 1rmj n GLY 59 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1rmj s LYS 60 N -0.67 4.33 -0.37 1.61 2.20 -1.26 -4.62 119.74 120.95 1rmj s LYS 60 Ca 0.00 2.00 -0.27 0.00 -0.36 0.00 0.00 55.97 57.33 1rmj s LYS 60 Cb 0.00 -3.36 -0.04 0.00 -1.51 0.00 0.00 37.83 32.92 1rmj s LYS 60 CO 0.00 -0.45 2.10 -1.12 -0.36 0.00 0.00 175.35 175.52 1rmj s SER 61 N 1.33 5.31 -0.14 1.43 0.01 -1.26 -0.95 113.70 119.42 1rmj s SER 61 Ca 0.64 1.31 -0.19 0.00 1.31 0.00 0.00 55.95 59.02 1rmj s SER 61 Cb -0.34 -2.52 -0.04 0.00 0.21 0.00 0.00 66.02 63.34 1rmj s SER 61 CO 0.29 -2.17 0.51 -0.76 0.41 0.00 0.00 173.24 171.52 1rmj s LEU 62 N 8.95 4.23 0.07 2.44 1.43 0.85 -4.93 118.68 131.73 1rmj s LEU 62 Ca 0.89 0.79 -0.18 0.00 -1.03 0.00 0.00 54.13 54.61 1rmj s LEU 62 Cb -0.23 -2.73 -0.11 0.00 0.03 0.00 0.00 46.19 43.15 1rmj s LEU 62 CO 0.30 -0.07 1.39 1.55 0.23 0.00 0.00 176.35 179.76 1rmj h PRO 63 N 6.98 0.51 0.00 1.29 0.13 -1.92 -3.37 132.00 135.61 1rmj h PRO 63 Ca -0.38 -0.25 0.00 0.00 -0.87 0.00 0.00 66.00 64.49 1rmj h PRO 63 Cb 1.17 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.30 1rmj h PRO 63 CO 0.75 0.83 0.00 0.41 -0.23 0.00 0.00 178.00 179.76 1rmj n GLY 64 N 0.12 2.24 3.77 1.56 0.00 -1.26 -4.95 105.19 106.67 1rmj n GLY 64 Ca -0.05 0.34 -0.35 0.00 0.00 0.00 0.00 46.02 45.96 1rmj n GLY 64 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1rmj s SER 65 N 0.00 5.43 0.42 1.61 0.01 -1.26 -4.91 113.70 115.00 1rmj s SER 65 Ca 0.00 2.19 0.15 0.00 1.31 0.00 0.00 55.95 59.60 1rmj s SER 65 Cb 0.00 -2.58 0.90 0.00 0.21 0.00 0.00 66.02 64.55 1rmj s SER 65 CO 0.00 -1.42 1.91 1.55 0.41 0.00 0.00 173.24 175.70 1rmj h PRO 66 N 0.84 0.00 0.00 12.44 0.13 -2.01 -1.02 132.00 142.38 1rmj h PRO 66 Ca -0.49 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 1rmj h PRO 66 Cb 1.27 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.40 1rmj h PRO 66 CO 0.56 0.28 0.00 0.38 -0.23 0.00 0.00 178.00 178.98 1rmj h ASP 67 N 0.00 0.00 -5.11 1.44 3.04 -1.95 -3.45 116.42 110.39 1rmj h ASP 67 Ca -0.00 0.00 -0.31 0.00 -3.24 0.00 0.00 57.03 53.48 1rmj h ASP 67 Cb 0.51 0.00 -0.07 0.00 -1.04 0.00 0.00 39.33 38.73 1rmj h ASP 67 CO 0.04 0.00 -0.44 0.61 -2.04 0.00 0.00 179.24 177.40 1rmj n GLY 68 N -0.08 -0.49 3.63 7.15 0.00 -0.39 -4.84 105.19 110.17 1rmj n GLY 68 Ca 0.01 0.05 -0.43 0.00 0.00 0.00 0.00 46.02 45.66 1rmj n GLY 68 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1rmj s ASN 69 N -2.49 6.37 -0.74 1.61 3.04 -1.26 -2.37 114.94 119.10 1rmj s ASN 69 Ca 0.28 1.53 -0.01 0.00 0.04 0.00 0.00 52.86 54.69 1rmj s ASN 69 Cb -0.15 -2.53 0.00 0.00 -1.54 0.00 0.00 41.25 37.03 1rmj s ASN 69 CO 0.34 -1.28 0.10 0.61 -3.04 0.00 0.00 177.10 173.83 1rmj n GLY 70 N 4.70 0.06 0.41 1.21 0.00 -1.26 -3.78 105.19 106.52 1rmj n GLY 70 Ca 0.19 -0.46 0.22 0.00 0.00 0.00 0.00 46.02 45.96 1rmj n GLY 70 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1rmj h SER 71 N -0.23 0.11 -0.28 1.61 4.64 -1.61 0.53 113.55 118.32 1rmj h SER 71 Ca -0.22 0.01 0.04 0.00 -0.47 0.00 0.00 61.79 61.14 1rmj h SER 71 Cb 1.16 -0.01 -0.04 0.00 -0.31 0.00 0.00 62.40 63.20 1rmj h SER 71 CO 0.25 0.05 0.07 0.28 -0.87 0.00 0.00 176.83 176.61 1rmj h SER 72 N 0.12 0.04 0.00 4.97 0.02 -1.90 -3.35 113.55 113.44 1rmj h SER 72 Ca 0.34 0.04 0.00 0.00 -0.84 0.00 0.00 61.79 61.33 1rmj h SER 72 Cb 1.19 0.05 0.00 0.00 0.14 0.00 0.00 62.40 63.78 1rmj h SER 72 CO -0.04 0.05 -0.06 -1.20 -1.14 0.00 0.00 176.83 174.44 1rmj n SER 73 N -5.07 0.20 -3.68 3.07 7.64 -0.35 -5.03 113.62 110.39 1rmj n SER 73 Ca -0.01 0.25 -0.13 0.00 1.01 0.00 0.00 58.87 59.99 1rmj n SER 73 Cb 0.12 -0.54 -0.09 0.00 -1.01 0.00 0.00 64.21 62.69 1rmj n SER 73 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1rmj h PRO 75 N 5.44 0.00 -6.40 0.00 0.13 -1.65 -3.36 132.00 126.16 1rmj h PRO 75 Ca -0.29 0.00 -0.59 0.00 -0.87 0.00 0.00 66.00 64.25 1rmj h PRO 75 Cb 1.17 0.00 0.16 0.00 0.13 0.00 0.00 31.00 32.46 1rmj h PRO 75 CO 0.16 0.72 -0.40 2.41 -0.23 0.00 0.00 178.00 180.66 1rmj n THR 76 N -3.51 1.90 0.00 1.56 -1.04 -1.26 -4.24 114.28 107.68 1rmj n THR 76 Ca -0.00 -0.50 0.00 0.00 -2.04 0.00 0.00 64.05 61.51 1rmj n THR 76 Cb 0.75 -0.61 0.00 0.00 -1.82 0.00 0.00 70.33 68.65 1rmj n THR 76 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1rmj n GLY 77 N 1.79 2.48 3.31 3.41 0.00 -1.26 -4.98 105.19 109.94 1rmj n GLY 77 Ca 0.11 -0.03 -0.38 0.00 0.00 0.00 0.00 46.02 45.72 1rmj n GLY 77 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1rmj n SER 78 N 0.00 3.33 -0.01 1.61 7.64 -1.26 -4.41 113.62 120.52 1rmj n SER 78 Ca 0.00 -2.75 0.01 0.00 1.01 0.00 0.00 58.87 57.14 1rmj n SER 78 Cb 0.00 -1.52 -0.05 0.00 -1.01 0.00 0.00 64.21 61.62 1rmj n SER 78 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 1rmj n SER 79 N 9.95 3.47 0.00 6.43 3.41 -1.26 -5.27 113.62 130.36 1rmj n SER 79 Ca 0.48 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 59.09 1rmj n SER 79 Cb 0.43 1.06 0.00 0.00 -0.26 0.00 0.00 64.21 65.45 1rmj n SER 79 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49