#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rmj s TYR -26 N 0.00 2.64 -0.44 1.43 2.02 -1.26 -4.78 117.35 116.97 1rmj s TYR -26 Ca 0.00 1.32 -0.42 0.00 -0.37 0.00 0.00 57.07 57.60 1rmj s TYR -26 Cb 0.00 -3.82 -0.17 0.00 -0.40 0.00 0.00 41.96 37.57 1rmj s TYR -26 CO 0.00 -2.55 2.05 2.48 -1.57 0.00 0.00 175.55 175.96 1rmj n TYR -25 N 0.05 1.45 -0.08 2.71 0.18 -1.26 -4.82 117.16 115.39 1rmj n TYR -25 Ca 0.04 0.66 -0.08 0.00 1.88 0.00 0.00 57.90 60.40 1rmj n TYR -25 Cb 0.42 -2.37 -0.03 0.00 -0.38 0.00 0.00 39.34 36.99 1rmj n TYR -25 CO 0.00 0.00 0.00 0.72 -2.08 0.00 0.00 176.86 175.50 1rmj n HIS -24 N 7.48 0.00 -3.96 -3.48 8.25 -1.26 -4.95 115.22 117.30 1rmj n HIS -24 Ca 0.45 0.00 -0.30 0.00 -0.26 0.00 0.00 57.72 57.62 1rmj n HIS -24 Cb 0.05 -0.44 -0.16 0.00 1.12 0.00 0.00 29.99 30.56 1rmj n HIS -24 CO 0.00 0.00 0.00 -1.01 0.64 0.00 0.00 176.34 175.97 1rmj s HIS -23 N -2.74 2.22 -0.28 4.41 3.76 -1.26 -5.09 115.29 116.32 1rmj s HIS -23 Ca -0.25 -1.50 -0.01 0.00 -0.15 0.00 0.00 55.06 53.15 1rmj s HIS -23 Cb 0.04 -1.54 0.17 0.00 1.11 0.00 0.00 32.58 32.36 1rmj s HIS -23 CO 0.38 -0.72 0.54 -3.38 -0.85 0.00 0.00 174.74 170.71 1rmj s HIS -22 N 1.46 -1.40 -0.44 1.40 -0.00 -1.26 -5.09 115.29 109.96 1rmj s HIS -22 Ca -0.02 1.47 0.06 0.00 -0.00 0.00 0.00 55.06 56.58 1rmj s HIS -22 Cb -0.17 0.42 0.18 0.00 -0.00 0.00 0.00 32.58 33.01 1rmj s HIS -22 CO -0.08 -0.84 0.59 -3.38 -0.00 0.00 0.00 174.74 171.04 1rmj s HIS -21 N 2.77 -1.19 -0.47 0.38 -3.43 -1.26 -5.11 115.29 106.98 1rmj s HIS -21 Ca 0.19 -0.45 -0.13 0.00 -0.80 0.00 0.00 55.06 53.87 1rmj s HIS -21 Cb -0.15 0.08 0.10 0.00 -1.43 0.00 0.00 32.58 31.18 1rmj s HIS -21 CO -0.20 -1.15 0.37 -1.58 -2.00 0.00 0.00 174.74 170.19 1rmj s HIS -20 N 1.28 3.30 0.00 0.38 2.46 -1.26 -4.95 115.29 116.50 1rmj s HIS -20 Ca 0.22 -1.34 0.00 0.00 0.47 0.00 0.00 55.06 54.41 1rmj s HIS -20 Cb -0.04 -3.32 0.00 0.00 -0.13 0.00 0.00 32.58 29.09 1rmj s HIS -20 CO -0.07 -0.90 0.00 1.58 -2.47 0.00 0.00 174.74 172.89 1rmj n HIS -19 N 5.08 0.00 -4.03 3.88 -0.00 -1.26 -5.15 115.22 113.75 1rmj n HIS -19 Ca -0.11 0.00 -0.34 0.00 -0.00 0.00 0.00 57.72 57.26 1rmj n HIS -19 Cb 0.42 0.00 -0.10 0.00 -0.00 0.00 0.00 29.99 30.31 1rmj n HIS -19 CO 0.00 0.00 0.00 0.34 -0.00 0.00 0.00 176.34 176.68 1rmj s ASP -18 N 0.00 5.59 -0.23 0.26 2.15 -1.26 -4.99 116.67 118.18 1rmj s ASP -18 Ca 0.00 0.07 0.11 0.00 0.43 0.00 0.00 52.55 53.16 1rmj s ASP -18 Cb 0.00 -1.95 0.44 0.00 -0.30 0.00 0.00 42.92 41.11 1rmj s ASP -18 CO 0.00 0.18 1.20 -1.22 -0.17 0.00 0.00 175.17 175.15 1rmj n TYR -17 N 3.53 1.17 -2.97 -5.34 4.01 -1.26 -4.90 117.16 111.40 1rmj n TYR -17 Ca -0.17 -1.76 -0.43 0.00 -0.16 0.00 0.00 57.90 55.38 1rmj n TYR -17 Cb 0.52 -0.28 0.01 0.00 -0.31 0.00 0.00 39.34 39.28 1rmj n TYR -17 CO 0.00 0.00 0.00 -3.47 -0.46 0.00 0.00 176.86 172.93 1rmj n ASP -16 N -0.82 5.99 -4.53 7.72 2.03 -1.26 -4.99 116.55 120.69 1rmj n ASP -16 Ca 0.27 -3.27 -0.33 0.00 0.52 0.00 0.00 54.79 51.98 1rmj n ASP -16 Cb 0.84 -1.34 -0.12 0.00 -0.72 0.00 0.00 41.12 39.78 1rmj n ASP -16 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 1rmj s ILE -15 N -1.78 3.49 -0.86 5.18 1.01 -1.26 -5.01 121.20 121.96 1rmj s ILE -15 Ca 0.33 -0.55 -0.24 0.00 0.00 0.00 0.00 60.65 60.19 1rmj s ILE -15 Cb 0.02 -2.42 -0.16 0.00 0.01 0.00 0.00 42.46 39.91 1rmj s ILE -15 CO 0.05 0.58 1.90 -0.81 0.00 0.00 0.00 174.94 176.67 1rmj n PRO -14 N 2.42 1.27 -0.13 2.79 -0.04 -1.26 -4.68 135.00 135.38 1rmj n PRO -14 Ca -0.18 -1.97 -0.11 0.00 -0.04 0.00 0.00 63.50 61.20 1rmj n PRO -14 Cb 0.53 -3.25 -0.02 0.00 -0.04 0.00 0.00 33.50 30.71 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 5.33 1.27 0.11 0.52 1.03 -1.97 -1.83 112.91 117.36 1rmj h THR -13 Ca 0.30 -1.11 -0.00 0.00 -0.01 0.00 0.00 66.41 65.59 1rmj h THR -13 Cb 0.80 1.25 -0.00 0.00 -1.07 0.00 0.00 68.15 69.12 1rmj h THR -13 CO 1.63 0.37 -0.06 0.74 -0.01 0.00 0.00 175.52 178.18 1rmj h THR -12 N 0.49 0.87 0.00 0.00 2.02 -2.00 -0.24 112.91 114.04 1rmj h THR -12 Ca 0.10 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.28 1rmj h THR -12 Cb 0.56 0.87 0.00 0.00 -1.74 0.00 0.00 68.15 67.83 1rmj h THR -12 CO 0.03 0.00 0.00 -0.33 0.37 0.00 0.00 175.52 175.59 1rmj h GLU -11 N -0.16 0.00 0.00 6.66 3.07 -1.93 -2.02 114.58 120.19 1rmj h GLU -11 Ca -0.01 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.85 1rmj h GLU -11 Cb 0.14 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.05 1rmj h GLU -11 CO 0.01 0.00 -1.21 0.09 -1.40 0.00 0.00 179.01 176.51 1rmj n ASN -10 N -2.41 0.57 -0.03 1.42 3.02 -0.55 -4.20 115.26 113.08 1rmj n ASN -10 Ca 0.00 0.01 -0.11 0.00 -0.03 0.00 0.00 54.58 54.45 1rmj n ASN -10 Cb 0.17 0.92 -0.14 0.00 -0.61 0.00 0.00 39.78 40.11 1rmj n ASN -10 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 1rmj n LEU -9 N -2.25 1.12 -0.05 3.41 4.77 -0.21 -4.03 117.00 119.76 1rmj n LEU -9 Ca 0.00 0.30 0.10 0.00 -0.03 0.00 0.00 56.01 56.38 1rmj n LEU -9 Cb 0.50 -0.04 0.56 0.00 -2.33 0.00 0.00 43.42 42.11 1rmj n LEU -9 CO 0.41 0.50 0.86 0.00 -1.33 0.00 0.00 177.39 177.83 1rmj n TYR -8 N -3.08 0.02 -0.29 -1.77 4.11 -0.99 -4.32 117.16 110.83 1rmj n TYR -8 Ca -0.23 -0.01 0.27 0.00 -0.00 0.00 0.00 57.90 57.93 1rmj n TYR -8 Cb 1.06 0.00 0.50 0.00 -0.00 0.00 0.00 39.34 40.90 1rmj n TYR -8 CO 0.00 0.00 0.00 1.19 -0.00 0.00 0.00 176.86 178.05 1rmj n PHE -7 N -0.70 0.99 -0.86 -3.48 3.72 -1.26 -1.47 117.46 114.40 1rmj n PHE -7 Ca 0.15 1.05 -0.12 0.00 -0.05 0.00 0.00 57.45 58.48 1rmj n PHE -7 Cb 0.09 -1.43 -0.14 0.00 -0.94 0.00 0.00 39.48 37.07 1rmj n PHE -7 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1rmj n GLN -6 N -5.04 1.79 -2.28 -1.08 10.64 -1.26 -4.71 117.38 115.45 1rmj n GLN -6 Ca 0.32 -0.92 -0.42 0.00 -1.83 0.00 0.00 57.00 54.15 1rmj n GLN -6 Cb 1.10 -1.97 0.00 0.00 -0.86 0.00 0.00 30.24 28.50 1rmj n GLN -6 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 1rmj n GLY -5 N 2.65 4.83 0.00 2.61 0.00 -0.54 -4.84 105.19 109.90 1rmj n GLY -5 Ca 0.38 -2.09 0.00 0.00 0.00 0.00 0.00 46.02 44.32 1rmj n GLY -5 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1rmj n ALA -4 N 3.59 0.00 -3.39 4.61 0.00 -1.26 -5.04 120.51 119.02 1rmj n ALA -4 Ca 0.43 0.00 -0.04 0.00 0.00 0.00 0.00 53.44 53.83 1rmj n ALA -4 Cb 0.35 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.80 1rmj n ALA -4 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 1rmj n MET -3 N 0.00 1.24 -1.47 0.00 2.81 -1.26 -4.98 117.12 113.46 1rmj n MET -3 Ca 0.00 -0.50 -0.40 0.00 -1.81 0.00 0.00 57.70 54.99 1rmj n MET -3 Cb 0.00 0.03 -0.05 0.00 -0.71 0.00 0.00 33.22 32.49 1rmj n MET -3 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1rmj n GLY -2 N 3.99 2.44 3.83 3.03 0.00 0.18 -4.51 105.19 114.15 1rmj n GLY -2 Ca 0.01 -1.19 -0.23 0.00 0.00 0.00 0.00 46.02 44.60 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 8.82 0.56 -4.93 1.61 7.64 -1.26 -4.42 113.62 121.63 1rmj n SER -1 Ca 0.49 -0.93 -0.26 0.00 1.01 0.00 0.00 58.87 59.17 1rmj n SER -1 Cb 0.42 -1.16 -0.03 0.00 -1.01 0.00 0.00 64.21 62.43 1rmj n SER -1 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1rmj s GLY 1 N -4.01 1.68 0.20 0.23 0.00 -1.24 -4.94 107.32 99.23 1rmj s GLY 1 Ca 0.01 -0.86 -0.09 0.00 0.00 0.00 0.00 44.72 43.78 1rmj s GLY 1 CO 0.73 -0.81 1.75 -0.56 0.00 0.00 0.00 173.10 174.20 1rmj h PRO 2 N 1.73 1.10 -0.58 2.90 0.13 -1.82 0.91 132.00 136.38 1rmj h PRO 2 Ca -0.49 -0.21 -0.03 0.00 -0.87 0.00 0.00 66.00 64.40 1rmj h PRO 2 Cb 1.20 -0.17 -0.03 0.00 0.13 0.00 0.00 31.00 32.13 1rmj h PRO 2 CO 0.66 0.92 0.25 0.00 -0.23 0.00 0.00 178.00 179.60 1rmj h ARG 4 N 0.79 0.90 -0.59 0.00 -0.00 -0.02 0.48 114.38 115.94 1rmj h ARG 4 Ca 0.20 -0.38 -0.08 0.00 -0.00 0.00 0.00 59.98 59.71 1rmj h ARG 4 Cb 0.17 -0.03 -0.02 0.00 -0.00 0.00 0.00 29.97 30.08 1rmj h ARG 4 CO -0.02 1.03 0.04 0.00 -0.00 0.00 0.00 179.97 181.02 1rmj h ARG 5 N 0.73 0.99 -0.50 0.08 2.47 -0.50 0.57 114.38 118.23 1rmj h ARG 5 Ca 0.10 -0.28 -0.09 0.00 -1.26 0.00 0.00 59.98 58.44 1rmj h ARG 5 Cb 0.75 -0.11 -0.02 0.00 -1.65 0.00 0.00 29.97 28.95 1rmj h ARG 5 CO 0.06 0.95 -0.05 0.45 0.56 0.00 0.00 179.97 181.94 1rmj h HIS 6 N 0.92 1.01 -0.71 3.04 3.86 -0.14 -2.33 115.15 120.81 1rmj h HIS 6 Ca 0.17 -0.19 0.01 0.00 -1.16 0.00 0.00 60.37 59.19 1rmj h HIS 6 Cb 0.49 -0.26 -0.03 0.00 1.06 0.00 0.00 27.41 28.67 1rmj h HIS 6 CO 0.03 0.96 0.46 -0.07 0.86 0.00 0.00 177.93 180.17 1rmj h LEU 7 N 0.77 0.82 -0.42 2.43 3.38 0.83 1.09 115.31 124.21 1rmj h LEU 7 Ca 0.13 -0.03 0.07 0.00 0.09 0.00 0.00 57.88 58.15 1rmj h LEU 7 Cb 0.59 -0.20 -0.06 0.00 0.09 0.00 0.00 40.66 41.07 1rmj h LEU 7 CO 0.04 0.60 0.06 0.44 0.09 0.00 0.00 178.44 179.67 1rmj h ASP 8 N 0.96 -0.05 0.08 -0.43 3.32 0.54 2.34 116.42 123.18 1rmj h ASP 8 Ca 0.26 0.08 -0.00 0.00 0.02 0.00 0.00 57.03 57.38 1rmj h ASP 8 Cb -0.10 0.12 0.00 0.00 0.22 0.00 0.00 39.33 39.58 1rmj h ASP 8 CO -0.05 0.01 -0.04 0.28 -1.72 0.00 0.00 179.24 177.72 1rmj h SER 9 N 0.18 -0.09 -0.19 6.45 0.02 -0.87 -1.92 113.55 117.14 1rmj h SER 9 Ca 0.21 -0.47 -0.01 0.00 -0.84 0.00 0.00 61.79 60.68 1rmj h SER 9 Cb 0.27 0.02 -0.01 0.00 0.14 0.00 0.00 62.40 62.83 1rmj h SER 9 CO -0.30 0.46 0.06 0.58 -1.14 0.00 0.00 176.83 176.49 1rmj h VAL 10 N -0.67 1.18 -0.48 2.27 2.07 0.16 -1.39 116.25 119.38 1rmj h VAL 10 Ca -0.01 -0.56 -0.06 0.00 0.82 0.00 0.00 66.70 66.89 1rmj h VAL 10 Cb 0.55 1.20 -0.02 0.00 -1.52 0.00 0.00 31.29 31.49 1rmj h VAL 10 CO 0.02 0.18 0.06 0.17 0.02 0.00 0.00 177.57 178.02 1rmj h LEU 11 N 0.13 0.72 0.08 2.57 8.10 0.39 1.56 115.31 128.86 1rmj h LEU 11 Ca 0.06 -0.15 -0.00 0.00 0.11 0.00 0.00 57.88 57.90 1rmj h LEU 11 Cb 0.21 -0.19 0.00 0.00 -0.44 0.00 0.00 40.66 40.25 1rmj h LEU 11 CO -0.00 0.75 -0.04 0.06 -4.11 0.00 0.00 178.44 175.10 1rmj h GLN 12 N 0.73 -0.10 0.00 0.17 3.07 -1.12 -2.85 115.11 115.01 1rmj h GLN 12 Ca 0.15 0.01 -0.08 0.00 0.09 0.00 0.00 58.65 58.82 1rmj h GLN 12 Cb 0.35 0.02 -0.01 0.00 0.08 0.00 0.00 27.48 27.93 1rmj h GLN 12 CO 0.01 0.36 -0.50 0.37 0.09 0.00 0.00 178.83 179.16 1rmj h GLN 13 N -0.61 0.00 -0.29 0.06 4.15 -1.19 -3.39 115.11 113.85 1rmj h GLN 13 Ca -0.01 0.00 -0.15 0.00 0.77 0.00 0.00 58.65 59.26 1rmj h GLN 13 Cb 0.50 0.00 -0.00 0.00 0.21 0.00 0.00 27.48 28.19 1rmj h GLN 13 CO 0.02 0.75 -0.41 -0.07 -1.93 0.00 0.00 178.83 177.19 1rmj h LEU 14 N -1.00 0.86 -2.00 -2.39 3.38 0.20 -1.63 115.31 112.72 1rmj h LEU 14 Ca -0.12 -0.51 0.09 0.00 0.09 0.00 0.00 57.88 57.43 1rmj h LEU 14 Cb 0.91 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 41.41 1rmj h LEU 14 CO -0.07 1.20 0.40 -0.61 0.09 0.00 0.00 178.44 179.44 1rmj h GLN 15 N 0.54 0.00 0.12 1.13 5.75 -0.58 1.49 115.11 123.56 1rmj h GLN 15 Ca 0.03 0.00 -0.33 0.00 -0.15 0.00 0.00 58.65 58.20 1rmj h GLN 15 Cb 1.01 0.00 -0.01 0.00 1.07 0.00 0.00 27.48 29.55 1rmj h GLN 15 CO 0.10 0.00 -1.75 1.15 -2.65 0.00 0.00 178.83 175.67 1rmj h THR 16 N 0.00 0.80 -0.47 2.39 2.02 -1.69 -3.37 112.91 112.59 1rmj h THR 16 Ca 0.14 -2.37 0.00 0.00 0.77 0.00 0.00 66.41 64.95 1rmj h THR 16 Cb 0.94 2.57 0.00 0.00 -1.74 0.00 0.00 68.15 69.92 1rmj h THR 16 CO -0.00 0.79 0.00 -0.62 0.37 0.00 0.00 175.52 176.06 1rmj n GLU 17 N -3.70 4.08 0.00 6.66 1.02 0.12 -2.90 120.64 125.92 1rmj n GLU 17 Ca -0.29 -2.51 0.00 0.00 -0.02 0.00 0.00 57.16 54.33 1rmj n GLU 17 Cb 0.98 -2.10 0.00 0.00 -0.02 0.00 0.00 31.44 30.31 1rmj n GLU 17 CO 0.00 0.00 0.00 1.33 1.18 0.00 0.00 177.13 179.64 1rmj n VAL 18 N 0.53 0.00 -0.10 2.62 0.24 0.47 -1.44 118.33 120.65 1rmj n VAL 18 Ca 0.22 0.37 -0.16 0.00 -2.04 0.00 0.00 64.34 62.73 1rmj n VAL 18 Cb 0.99 -1.23 -0.07 0.00 -1.47 0.00 0.00 33.84 32.07 1rmj n VAL 18 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1rmj n TYR 19 N -1.90 0.65 0.30 6.34 4.11 -1.25 -1.55 117.16 123.86 1rmj n TYR 19 Ca 0.00 0.28 0.16 0.00 -0.00 0.00 0.00 57.90 58.35 1rmj n TYR 19 Cb 0.00 -0.89 0.67 0.00 -0.00 0.00 0.00 39.34 39.12 1rmj n TYR 19 CO 0.00 0.00 0.00 0.07 -0.00 0.00 0.00 176.86 176.93 1rmj h ARG 20 N -1.00 0.00 0.00 -3.48 -0.00 -1.81 -3.28 114.38 104.81 1rmj h ARG 20 Ca -0.25 0.00 0.00 0.00 -0.00 0.00 0.00 59.98 59.73 1rmj h ARG 20 Cb 1.07 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 31.04 1rmj h ARG 20 CO -0.15 0.00 -0.82 0.41 -0.00 0.00 0.00 179.97 179.41 1rmj n GLY 21 N -0.01 -0.61 0.00 0.08 0.00 -1.14 -4.95 105.19 98.55 1rmj n GLY 21 Ca 0.01 -0.27 0.00 0.00 0.00 0.00 0.00 46.02 45.76 1rmj n GLY 21 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1rmj n ALA 22 N -4.12 0.00 0.09 4.61 0.00 -0.52 -4.86 120.51 115.71 1rmj n ALA 22 Ca -0.11 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.33 1rmj n ALA 22 Cb 0.42 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.87 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 -0.47 0.00 -2.69 0.00 6.02 -0.60 -4.88 117.38 114.77 1rmj n GLN 23 Ca 0.00 0.00 -0.09 0.00 -0.01 0.00 0.00 57.00 56.90 1rmj n GLN 23 Cb 0.00 0.00 0.06 0.00 1.02 0.00 0.00 30.24 31.32 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 -3.08 0.62 -2.38 5.09 -1.04 -1.22 -2.43 114.28 109.84 1rmj n THR 24 Ca 0.00 -2.54 -0.41 0.00 -2.04 0.00 0.00 64.05 59.06 1rmj n THR 24 Cb 0.00 0.77 -0.04 0.00 -1.82 0.00 0.00 70.33 69.24 1rmj n THR 24 CO 0.00 0.00 0.00 -0.22 -0.64 0.00 0.00 175.07 174.21 1rmj s LEU 25 N -3.12 4.48 0.24 -4.42 0.20 0.68 -3.32 118.68 113.42 1rmj s LEU 25 Ca 0.26 2.30 -0.29 0.00 0.69 0.00 0.00 54.13 57.09 1rmj s LEU 25 Cb 0.44 -3.62 -0.09 0.00 -0.43 0.00 0.00 46.19 42.49 1rmj s LEU 25 CO -0.01 -0.31 0.92 -0.47 -0.29 0.00 0.00 176.35 176.18 1rmj s TYR 26 N -0.55 3.92 -0.07 5.38 5.04 -1.25 -0.40 117.35 129.42 1rmj s TYR 26 Ca 0.50 1.85 0.04 0.00 -2.44 0.00 0.00 57.07 57.02 1rmj s TYR 26 Cb -0.33 -2.94 -0.02 0.00 0.35 0.00 0.00 41.96 39.02 1rmj s TYR 26 CO 0.40 0.42 -0.19 0.08 -1.34 0.00 0.00 175.55 174.92 1rmj s VAL 27 N -1.26 2.56 0.48 3.14 1.01 0.23 -4.85 120.40 121.71 1rmj s VAL 27 Ca 0.42 -0.88 -0.22 0.00 0.00 0.00 0.00 61.98 61.30 1rmj s VAL 27 Cb -0.24 -1.99 -0.07 0.00 0.00 0.00 0.00 36.38 34.07 1rmj s VAL 27 CO 0.30 0.56 1.13 -2.16 0.00 0.00 0.00 175.10 174.93 1rmj s PRO 28 N -0.17 3.71 -0.20 2.72 0.04 -1.26 -1.69 135.00 138.15 1rmj s PRO 28 Ca -0.02 1.65 -0.04 0.00 0.04 0.00 0.00 61.00 62.63 1rmj s PRO 28 Cb -0.14 -2.28 -0.02 0.00 0.04 0.00 0.00 34.50 32.10 1rmj s PRO 28 CO 0.04 -0.56 -0.03 1.21 0.04 0.00 0.00 177.00 177.70 1rmj s ASN 29 N -1.56 4.58 0.24 6.66 2.47 -0.43 -4.89 114.94 122.01 1rmj s ASN 29 Ca 0.66 -0.28 0.11 0.00 0.42 0.00 0.00 52.86 53.77 1rmj s ASN 29 Cb -0.25 -1.78 -0.05 0.00 -1.45 0.00 0.00 41.25 37.72 1rmj s ASN 29 CO 0.30 0.04 -0.21 0.00 -3.72 0.00 0.00 177.10 173.52 1rmj n ASP 31 N -0.22 2.32 0.26 0.00 5.75 -1.08 -4.87 116.55 118.70 1rmj n ASP 31 Ca -0.08 -2.62 0.12 0.00 -0.01 0.00 0.00 54.79 52.19 1rmj n ASP 31 Cb 0.58 -0.23 0.51 0.00 -1.03 0.00 0.00 41.12 40.95 1rmj n ASP 31 CO 0.00 0.00 0.00 0.45 -0.11 0.00 0.00 177.20 177.54 1rmj h HIS 32 N 0.36 0.00 -0.00 2.11 3.86 -1.96 0.97 115.15 120.49 1rmj h HIS 32 Ca -0.29 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 58.92 1rmj h HIS 32 Cb 1.20 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.67 1rmj h HIS 32 CO 0.00 0.00 0.00 0.54 0.86 0.00 0.00 177.93 179.33 1rmj n ARG 33 N -2.89 1.00 -0.81 2.45 5.12 -1.26 0.49 116.66 120.75 1rmj n ARG 33 Ca 0.02 -0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.94 1rmj n ARG 33 Cb 0.71 -1.40 0.00 0.00 -1.16 0.00 0.00 32.46 30.61 1rmj n ARG 33 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1rmj n GLY 34 N 0.90 0.32 3.95 -0.13 0.00 0.34 -3.70 105.19 106.88 1rmj n GLY 34 Ca 0.19 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.98 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 -1.89 3.48 -0.89 1.61 0.40 -1.26 0.06 117.98 119.50 1rmj s PHE 35 Ca 0.00 0.23 -0.24 0.00 -0.60 0.00 0.00 56.93 56.31 1rmj s PHE 35 Cb 0.00 -1.79 -0.01 0.00 0.51 0.00 0.00 43.02 41.74 1rmj s PHE 35 CO 0.00 0.23 1.74 0.71 0.70 0.00 0.00 175.22 178.60 1rmj s TYR 36 N -2.20 2.05 -0.01 0.36 1.51 -1.01 -2.64 117.35 115.42 1rmj s TYR 36 Ca 0.38 0.15 -0.00 0.00 -1.01 0.00 0.00 57.07 56.59 1rmj s TYR 36 Cb -0.09 -4.29 -0.00 0.00 -0.11 0.00 0.00 41.96 37.46 1rmj s TYR 36 CO 0.34 -1.90 0.07 0.00 -1.11 0.00 0.00 175.55 172.95 1rmj h ARG 37 N 11.18 -0.01 0.00 -0.62 2.47 -1.71 -3.21 114.38 122.48 1rmj h ARG 37 Ca 0.06 0.00 -0.34 0.00 -1.26 0.00 0.00 59.98 58.44 1rmj h ARG 37 Cb 1.03 0.00 -0.06 0.00 -1.65 0.00 0.00 29.97 29.29 1rmj h ARG 37 CO 1.28 -0.00 -2.25 1.63 0.56 0.00 0.00 179.97 181.19 1rmj n LYS 38 N -2.17 0.54 -4.22 0.04 4.01 -1.25 -2.94 118.16 112.17 1rmj n LYS 38 Ca -0.00 0.14 -0.28 0.00 -0.51 0.00 0.00 58.31 57.65 1rmj n LYS 38 Cb 0.00 -1.43 -0.09 0.00 -0.51 0.00 0.00 35.03 33.01 1rmj n LYS 38 CO 0.00 0.00 0.00 0.50 -1.11 0.00 0.00 177.40 176.79 1rmj s ARG 39 N -2.44 2.25 -0.06 1.97 3.52 -1.26 0.22 118.95 123.15 1rmj s ARG 39 Ca -0.30 -1.07 -0.02 0.00 -0.13 0.00 0.00 55.73 54.21 1rmj s ARG 39 Cb 0.08 -2.32 0.04 0.00 -1.56 0.00 0.00 34.95 31.19 1rmj s ARG 39 CO 0.49 0.48 0.11 -0.65 -0.81 0.00 0.00 175.30 174.93 1rmj s GLN 40 N -2.56 0.02 -0.01 5.12 -1.52 -0.99 -1.31 119.66 118.42 1rmj s GLN 40 Ca 0.24 0.39 0.06 0.00 -1.95 0.00 0.00 55.36 54.10 1rmj s GLN 40 Cb -0.10 -0.27 -0.02 0.00 -0.22 0.00 0.00 33.01 32.40 1rmj s GLN 40 CO 0.16 -0.23 -0.19 0.00 -0.25 0.00 0.00 175.29 174.78 1rmj s ARG 42 N -0.51 4.34 -0.19 0.00 3.52 -0.48 0.74 118.95 126.38 1rmj s ARG 42 Ca 0.07 0.79 -0.01 0.00 -0.13 0.00 0.00 55.73 56.45 1rmj s ARG 42 Cb -0.07 -3.50 0.01 0.00 -1.56 0.00 0.00 34.95 29.82 1rmj s ARG 42 CO -0.01 -0.07 -0.13 -1.12 -0.81 0.00 0.00 175.30 173.16 1rmj s SER 43 N 0.95 3.70 0.40 -2.12 0.01 0.47 -2.22 113.70 114.89 1rmj s SER 43 Ca 0.34 -0.52 0.08 0.00 1.31 0.00 0.00 55.95 57.16 1rmj s SER 43 Cb -0.17 -1.60 -0.02 0.00 0.21 0.00 0.00 66.02 64.45 1rmj s SER 43 CO 0.14 0.00 0.40 -0.94 0.41 0.00 0.00 173.24 173.26 1rmj s SER 44 N 1.31 5.21 0.16 2.44 1.04 -1.26 -0.23 113.70 122.37 1rmj s SER 44 Ca 0.04 -0.64 -0.21 0.00 0.48 0.00 0.00 55.95 55.62 1rmj s SER 44 Cb -0.14 -0.66 0.07 0.00 0.10 0.00 0.00 66.02 65.39 1rmj s SER 44 CO -0.07 -0.63 1.62 1.56 0.98 0.00 0.00 173.24 176.70 1rmj h GLN 45 N 0.99 -0.20 0.00 4.02 7.50 -1.68 -3.40 115.11 122.33 1rmj h GLN 45 Ca -0.42 0.01 0.00 0.00 0.50 0.00 0.00 58.65 58.75 1rmj h GLN 45 Cb 1.27 0.05 0.00 0.00 0.05 0.00 0.00 27.48 28.84 1rmj h GLN 45 CO 0.55 -0.13 0.00 0.41 -1.50 0.00 0.00 178.83 178.16 1rmj n GLY 46 N -1.39 0.01 0.15 3.46 0.00 -1.26 -4.90 105.19 101.26 1rmj n GLY 46 Ca 0.01 -0.03 -0.19 0.00 0.00 0.00 0.00 46.02 45.81 1rmj n GLY 46 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 1rmj h GLN 47 N 0.00 0.48 -0.00 1.61 1.08 -2.00 -3.21 115.11 113.07 1rmj h GLN 47 Ca 0.00 -0.56 0.00 0.00 -1.45 0.00 0.00 58.65 56.64 1rmj h GLN 47 Cb 0.00 0.17 0.00 0.00 -0.05 0.00 0.00 27.48 27.60 1rmj h GLN 47 CO 0.00 1.19 -0.08 0.54 -0.95 0.00 0.00 178.83 179.53 1rmj n ARG 48 N -4.09 0.07 0.00 1.46 1.74 -1.26 -4.95 116.66 109.63 1rmj n ARG 48 Ca -0.11 -0.01 0.00 0.00 -0.77 0.00 0.00 57.85 56.96 1rmj n ARG 48 Cb 0.77 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 30.71 1rmj n ARG 48 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 1rmj n ARG 49 N -1.46 0.00 0.00 5.56 1.74 -1.22 -4.42 116.66 116.87 1rmj n ARG 49 Ca 0.08 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.16 1rmj n ARG 49 Cb 0.33 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.77 1rmj n ARG 49 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1rmj n GLY 50 N 0.00 0.67 3.94 -0.13 0.00 -0.94 -4.87 105.19 103.87 1rmj n GLY 50 Ca 0.00 -2.11 -0.26 0.00 0.00 0.00 0.00 46.02 43.65 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 -0.91 3.47 0.10 1.61 0.04 -1.20 -4.06 135.00 134.06 1rmj s PRO 51 Ca 0.00 -0.52 -0.08 0.00 0.04 0.00 0.00 61.00 60.44 1rmj s PRO 51 Cb 0.00 -2.89 -0.06 0.00 0.04 0.00 0.00 34.50 31.59 1rmj s PRO 51 CO 0.00 0.44 0.40 0.00 0.04 0.00 0.00 177.00 177.88 1rmj s TRP 53 N -1.49 0.63 0.39 0.00 -2.14 -0.54 -4.77 118.94 111.02 1rmj s TRP 53 Ca 0.36 -0.75 -0.23 0.00 2.66 0.00 0.00 56.10 58.14 1rmj s TRP 53 Cb -0.13 -0.40 -0.11 0.00 -3.10 0.00 0.00 33.47 29.74 1rmj s TRP 53 CO 0.20 -0.18 0.95 0.00 -2.66 0.00 0.00 176.95 175.26 1rmj s VAL 55 N -1.96 0.01 0.72 0.00 -7.23 0.61 -1.00 120.40 111.55 1rmj s VAL 55 Ca 0.58 -1.73 0.01 0.00 -1.81 0.00 0.00 61.98 59.02 1rmj s VAL 55 Cb -0.13 -2.31 0.14 0.00 0.56 0.00 0.00 36.38 34.64 1rmj s VAL 55 CO 0.17 -0.05 0.99 1.51 -0.31 0.00 0.00 175.10 177.41 1rmj s ASP 56 N -3.09 4.32 0.34 4.85 -4.77 -0.94 -3.84 116.67 113.55 1rmj s ASP 56 Ca 0.30 -0.50 0.14 0.00 -3.30 0.00 0.00 52.55 49.19 1rmj s ASP 56 Cb 0.04 0.18 1.12 0.00 -1.09 0.00 0.00 42.92 43.17 1rmj s ASP 56 CO 0.09 -1.89 1.61 0.03 0.70 0.00 0.00 175.17 175.71 1rmj h ARG 57 N -0.51 0.12 0.00 2.11 3.08 -1.54 1.18 114.38 118.83 1rmj h ARG 57 Ca -0.34 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 59.70 1rmj h ARG 57 Cb 1.27 -0.03 0.00 0.00 0.08 0.00 0.00 29.97 31.29 1rmj h ARG 57 CO 0.38 0.08 0.00 0.52 -1.07 0.00 0.00 179.97 179.88 1rmj h MET 58 N 0.13 0.00 0.00 0.04 2.86 -1.87 -2.68 114.93 113.41 1rmj h MET 58 Ca 0.75 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 58.39 1rmj h MET 58 Cb 1.82 0.00 0.00 0.00 0.06 0.00 0.00 31.60 33.48 1rmj h MET 58 CO -0.73 0.00 0.00 0.41 1.06 0.00 0.00 176.91 177.65 1rmj n GLY 59 N 0.63 1.08 3.71 8.32 0.00 0.41 -4.72 105.19 114.61 1rmj n GLY 59 Ca 0.03 -0.04 -0.41 0.00 0.00 0.00 0.00 46.02 45.60 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 -0.17 4.54 -0.11 1.61 2.20 -1.25 -4.71 119.74 121.85 1rmj s LYS 60 Ca 0.00 1.31 -0.29 0.00 -0.36 0.00 0.00 55.97 56.63 1rmj s LYS 60 Cb 0.00 -3.45 -0.06 0.00 -1.51 0.00 0.00 37.83 32.80 1rmj s LYS 60 CO 0.00 -0.01 2.05 -1.12 -0.36 0.00 0.00 175.35 175.91 1rmj s SER 61 N 0.90 5.98 -0.33 1.43 0.01 -1.26 -2.21 113.70 118.21 1rmj s SER 61 Ca 0.49 2.21 -0.24 0.00 1.31 0.00 0.00 55.95 59.72 1rmj s SER 61 Cb -0.20 -2.52 0.01 0.00 0.21 0.00 0.00 66.02 63.51 1rmj s SER 61 CO 0.26 -1.49 0.81 -0.76 0.41 0.00 0.00 173.24 172.47 1rmj s LEU 62 N 6.31 4.09 0.00 2.44 1.43 -0.17 -4.97 118.68 127.80 1rmj s LEU 62 Ca 0.92 0.57 0.00 0.00 -1.03 0.00 0.00 54.13 54.59 1rmj s LEU 62 Cb -0.36 -3.10 0.00 0.00 0.03 0.00 0.00 46.19 42.76 1rmj s LEU 62 CO 0.37 -0.69 0.01 -0.81 0.23 0.00 0.00 176.35 175.47 1rmj n PRO 63 N 6.35 0.00 0.00 1.29 -0.04 -1.26 -0.31 135.00 141.04 1rmj n PRO 63 Ca 0.04 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.50 1rmj n PRO 63 Cb 0.48 -0.45 0.00 0.00 -0.04 0.00 0.00 33.50 33.49 1rmj n PRO 63 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1rmj n GLY 64 N 2.49 -1.76 3.71 0.55 0.00 -1.26 -0.81 105.19 108.11 1rmj n GLY 64 Ca 0.00 0.91 -0.29 0.00 0.00 0.00 0.00 46.02 46.64 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 3.06 0.56 1.61 0.01 -1.23 -4.35 113.70 113.36 1rmj s SER 65 Ca 0.00 1.24 0.31 0.00 1.31 0.00 0.00 55.95 58.81 1rmj s SER 65 Cb 0.00 -1.90 1.69 0.00 0.21 0.00 0.00 66.02 66.01 1rmj s SER 65 CO 0.00 -2.86 2.16 1.55 0.41 0.00 0.00 173.24 174.49 1rmj h PRO 66 N -1.71 0.00 -0.44 12.44 0.13 -2.02 0.15 132.00 140.55 1rmj h PRO 66 Ca -0.52 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.61 1rmj h PRO 66 Cb 1.31 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.44 1rmj h PRO 66 CO 0.57 0.06 0.00 -0.40 -0.23 0.00 0.00 178.00 178.01 1rmj n ASP 67 N -3.58 1.44 0.00 1.44 5.75 -1.26 -4.51 116.55 115.83 1rmj n ASP 67 Ca -0.02 -2.08 0.00 0.00 -0.01 0.00 0.00 54.79 52.67 1rmj n ASP 67 Cb 0.18 -0.28 0.00 0.00 -1.03 0.00 0.00 41.12 39.99 1rmj n ASP 67 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1rmj n GLY 68 N 0.58 -1.75 3.69 6.12 0.00 -0.39 -5.17 105.19 108.28 1rmj n GLY 68 Ca 0.07 0.69 -0.29 0.00 0.00 0.00 0.00 46.02 46.49 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 0.00 2.66 -0.77 1.61 2.47 0.38 -3.51 114.94 117.77 1rmj s ASN 69 Ca 0.00 1.09 -0.02 0.00 0.42 0.00 0.00 52.86 54.35 1rmj s ASN 69 Cb 0.00 -1.72 0.00 0.00 -1.45 0.00 0.00 41.25 38.09 1rmj s ASN 69 CO 0.00 -3.09 0.25 0.61 -3.72 0.00 0.00 177.10 171.14 1rmj n GLY 70 N -1.33 0.07 0.18 1.21 0.00 -1.24 -4.87 105.19 99.20 1rmj n GLY 70 Ca 0.06 -0.36 0.06 0.00 0.00 0.00 0.00 46.02 45.77 1rmj n GLY 70 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1rmj h SER 71 N -0.56 0.00 -0.41 1.61 0.02 -1.11 -3.23 113.55 109.88 1rmj h SER 71 Ca -0.25 0.00 0.12 0.00 -0.84 0.00 0.00 61.79 60.81 1rmj h SER 71 Cb 1.18 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.70 1rmj h SER 71 CO 0.28 0.35 0.34 0.28 -1.14 0.00 0.00 176.83 176.94 1rmj h SER 72 N 0.00 0.00 -3.63 3.07 0.02 0.13 -3.40 113.55 109.74 1rmj h SER 72 Ca -0.00 0.00 -0.51 0.00 -0.84 0.00 0.00 61.79 60.43 1rmj h SER 72 Cb 1.13 0.00 0.01 0.00 0.14 0.00 0.00 62.40 63.68 1rmj h SER 72 CO 0.05 0.00 0.47 -0.44 -1.14 0.00 0.00 176.83 175.77 1rmj s SER 73 N -5.91 7.28 0.02 3.07 0.01 -1.22 0.35 113.70 117.30 1rmj s SER 73 Ca -0.05 2.13 0.08 0.00 1.31 0.00 0.00 55.95 59.43 1rmj s SER 73 Cb 0.18 -2.61 -0.02 0.00 0.21 0.00 0.00 66.02 63.77 1rmj s SER 73 CO 0.64 -0.19 -0.24 0.00 0.41 0.00 0.00 173.24 173.86 1rmj h PRO 75 N 5.08 0.29 -6.22 0.00 0.13 -1.95 -3.45 132.00 125.88 1rmj h PRO 75 Ca -0.44 -0.49 -0.57 0.00 -0.87 0.00 0.00 66.00 63.63 1rmj h PRO 75 Cb 1.14 0.18 -0.02 0.00 0.13 0.00 0.00 31.00 32.44 1rmj h PRO 75 CO 0.45 1.23 1.27 0.95 -0.23 0.00 0.00 178.00 181.67 1rmj s THR 76 N -2.47 3.39 0.00 1.56 -4.23 -1.26 -4.48 115.64 108.15 1rmj s THR 76 Ca -0.17 0.43 0.00 0.00 -1.18 0.00 0.00 61.69 60.77 1rmj s THR 76 Cb 0.03 -3.45 0.00 0.00 1.34 0.00 0.00 72.50 70.42 1rmj s THR 76 CO 0.80 -0.23 0.00 0.61 -0.54 0.00 0.00 174.62 175.26 1rmj n GLY 77 N 5.14 -0.95 2.97 3.99 0.00 -1.26 -4.84 105.19 110.24 1rmj n GLY 77 Ca 0.23 -0.84 -0.42 0.00 0.00 0.00 0.00 46.02 44.99 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 3.39 -0.97 1.61 7.64 -1.26 -4.36 113.62 119.67 1rmj n SER 78 Ca 0.00 -2.78 0.03 0.00 1.01 0.00 0.00 58.87 57.13 1rmj n SER 78 Cb 0.00 -1.46 0.03 0.00 -1.01 0.00 0.00 64.21 61.77 1rmj n SER 78 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1rmj n SER 79 N 7.18 0.74 0.00 6.43 7.64 -1.26 -5.20 113.62 129.15 1rmj n SER 79 Ca 0.51 -2.19 0.00 0.00 1.01 0.00 0.00 58.87 58.20 1rmj n SER 79 Cb 0.40 -0.28 0.00 0.00 -1.01 0.00 0.00 64.21 63.32 1rmj n SER 79 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64