#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 0.00 -1.44 1.43 9.36 -1.26 -0.70 117.16 124.55 1rmj n TYR -26 Ca 0.00 0.00 -0.28 0.00 3.32 0.00 0.00 57.90 60.94 1rmj n TYR -26 Cb 0.00 0.00 -0.01 0.00 -0.63 0.00 0.00 39.34 38.70 1rmj n TYR -26 CO 0.00 0.00 0.00 0.66 0.22 0.00 0.00 176.86 177.74 1rmj n TYR -25 N 13.93 1.92 -3.46 2.98 4.01 -1.26 -4.90 117.16 130.37 1rmj n TYR -25 Ca 0.00 -2.09 -0.42 0.00 -0.16 0.00 0.00 57.90 55.23 1rmj n TYR -25 Cb 0.00 -1.28 -0.10 0.00 -0.31 0.00 0.00 39.34 37.65 1rmj n TYR -25 CO 0.00 0.00 0.00 -1.58 -0.46 0.00 0.00 176.86 174.82 1rmj s HIS -24 N -2.26 3.23 0.27 -0.72 2.46 0.12 -4.87 115.29 113.52 1rmj s HIS -24 Ca 0.53 -0.44 -0.05 0.00 0.47 0.00 0.00 55.06 55.57 1rmj s HIS -24 Cb 0.38 -2.59 0.06 0.00 -0.13 0.00 0.00 32.58 30.30 1rmj s HIS -24 CO -0.20 -0.53 0.37 0.72 -2.47 0.00 0.00 174.74 172.63 1rmj n HIS -23 N 5.19 -3.99 -2.18 3.88 8.25 -1.26 -4.84 115.22 120.27 1rmj n HIS -23 Ca -0.11 -0.33 -0.31 0.00 -0.26 0.00 0.00 57.72 56.71 1rmj n HIS -23 Cb 0.48 -0.28 -0.05 0.00 1.12 0.00 0.00 29.99 31.26 1rmj n HIS -23 CO 0.00 0.00 0.00 -1.58 0.64 0.00 0.00 176.34 175.40 1rmj s HIS -22 N -1.79 2.06 -0.39 4.41 2.46 -1.26 -4.85 115.29 115.92 1rmj s HIS -22 Ca 0.21 0.14 0.01 0.00 0.47 0.00 0.00 55.06 55.89 1rmj s HIS -22 Cb -0.01 -4.20 0.12 0.00 -0.13 0.00 0.00 32.58 28.37 1rmj s HIS -22 CO 0.15 -1.61 0.18 -1.01 -2.47 0.00 0.00 174.74 169.98 1rmj s HIS -21 N 9.03 1.89 -0.01 3.88 3.76 -1.26 -5.09 115.29 127.49 1rmj s HIS -21 Ca 0.64 -2.18 -0.23 0.00 -0.15 0.00 0.00 55.06 53.14 1rmj s HIS -21 Cb -0.03 -1.82 -0.05 0.00 1.11 0.00 0.00 32.58 31.79 1rmj s HIS -21 CO 0.03 -0.82 0.68 -1.58 -0.85 0.00 0.00 174.74 172.20 1rmj s HIS -20 N 0.82 3.67 0.00 1.40 2.46 -1.26 -4.09 115.29 118.28 1rmj s HIS -20 Ca 0.15 1.30 0.00 0.00 0.47 0.00 0.00 55.06 56.98 1rmj s HIS -20 Cb -0.22 -2.74 0.00 0.00 -0.13 0.00 0.00 32.58 29.49 1rmj s HIS -20 CO -0.08 0.24 0.00 0.72 -2.47 0.00 0.00 174.74 173.15 1rmj n HIS -19 N 3.08 0.00 -1.28 3.88 8.25 -1.26 -4.39 115.22 123.50 1rmj n HIS -19 Ca -0.04 0.00 -0.31 0.00 -0.26 0.00 0.00 57.72 57.12 1rmj n HIS -19 Cb 0.51 0.00 -0.07 0.00 1.12 0.00 0.00 29.99 31.55 1rmj n HIS -19 CO 0.00 0.00 0.00 -0.25 0.64 0.00 0.00 176.34 176.73 1rmj n ASP -18 N 1.34 7.57 -2.42 0.41 8.00 -1.26 -4.71 116.55 125.48 1rmj n ASP -18 Ca 0.00 -2.62 -0.23 0.00 0.71 0.00 0.00 54.79 52.65 1rmj n ASP -18 Cb 0.00 -1.49 -0.09 0.00 -0.02 0.00 0.00 41.12 39.52 1rmj n ASP -18 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1rmj n TYR -17 N 2.99 1.17 -1.79 1.24 0.18 -1.26 -4.71 117.16 114.98 1rmj n TYR -17 Ca 0.66 -1.89 -0.36 0.00 1.88 0.00 0.00 57.90 58.19 1rmj n TYR -17 Cb 0.45 -1.51 -0.02 0.00 -0.38 0.00 0.00 39.34 37.88 1rmj n TYR -17 CO 0.00 0.00 0.00 -3.47 -2.08 0.00 0.00 176.86 171.31 1rmj n ASP -16 N 1.52 7.66 -4.89 9.48 2.03 -1.26 -4.94 116.55 126.14 1rmj n ASP -16 Ca 0.49 -3.09 -0.33 0.00 0.52 0.00 0.00 54.79 52.38 1rmj n ASP -16 Cb 0.64 -1.35 -0.05 0.00 -0.72 0.00 0.00 41.12 39.64 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 -1.09 5.25 0.14 5.18 -1.09 -1.26 -5.04 121.20 123.29 1rmj s ILE -15 Ca 0.57 0.03 -0.31 0.00 -2.23 0.00 0.00 60.65 58.71 1rmj s ILE -15 Cb 0.23 -3.61 -0.10 0.00 -1.58 0.00 0.00 42.46 37.41 1rmj s ILE -15 CO -0.12 0.19 1.66 -2.16 -1.23 0.00 0.00 174.94 173.28 1rmj s PRO -14 N -2.26 4.18 -0.21 2.79 0.04 -1.26 -4.93 135.00 133.35 1rmj s PRO -14 Ca 0.35 2.44 -0.29 0.00 0.04 0.00 0.00 61.00 63.53 1rmj s PRO -14 Cb -0.13 -3.33 -0.01 0.00 0.04 0.00 0.00 34.50 31.08 1rmj s PRO -14 CO 0.22 -0.71 1.29 0.95 0.04 0.00 0.00 177.00 178.80 1rmj s THR -13 N 1.80 4.20 0.15 1.26 -4.23 -1.26 -4.88 115.64 112.67 1rmj s THR -13 Ca 0.74 1.42 -0.01 0.00 -1.18 0.00 0.00 61.69 62.66 1rmj s THR -13 Cb -0.44 -4.03 -0.16 0.00 1.34 0.00 0.00 72.50 69.20 1rmj s THR -13 CO 0.32 -0.26 1.34 0.74 -0.54 0.00 0.00 174.62 176.23 1rmj h THR -12 N 5.68 1.44 0.00 3.99 2.02 -1.91 -2.95 112.91 121.18 1rmj h THR -12 Ca -0.27 -2.52 0.00 0.00 0.77 0.00 0.00 66.41 64.39 1rmj h THR -12 Cb 1.10 2.43 0.00 0.00 -1.74 0.00 0.00 68.15 69.94 1rmj h THR -12 CO 0.99 0.74 0.00 1.05 0.37 0.00 0.00 175.52 178.68 1rmj h GLU -11 N 0.17 0.00 0.00 6.66 9.09 -1.94 -1.17 114.58 127.39 1rmj h GLU -11 Ca -0.06 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.35 1rmj h GLU -11 Cb 1.53 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.63 1rmj h GLU -11 CO 0.15 0.00 0.00 -2.95 0.05 0.00 0.00 179.01 176.26 1rmj h ASN -10 N 0.00 0.00 0.59 3.06 7.08 -1.92 -0.76 115.58 123.63 1rmj h ASN -10 Ca 0.00 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 53.22 1rmj h ASN -10 Cb 0.05 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 36.29 1rmj h ASN -10 CO 0.00 0.00 0.00 0.18 -2.08 0.00 0.00 177.43 175.53 1rmj n LEU -9 N -2.88 0.00 -0.22 6.14 4.77 -0.44 -3.27 117.00 121.09 1rmj n LEU -9 Ca -0.01 0.31 0.06 0.00 -0.03 0.00 0.00 56.01 56.34 1rmj n LEU -9 Cb 0.17 -0.31 0.26 0.00 -2.33 0.00 0.00 43.42 41.21 1rmj n LEU -9 CO 0.21 -0.02 0.68 -1.22 -1.33 0.00 0.00 177.39 175.71 1rmj n TYR -8 N -1.31 0.13 -0.23 -1.77 4.02 -0.29 -4.47 117.16 113.24 1rmj n TYR -8 Ca 0.13 -0.06 0.22 0.00 -0.01 0.00 0.00 57.90 58.17 1rmj n TYR -8 Cb 0.24 0.00 0.41 0.00 -0.02 0.00 0.00 39.34 39.97 1rmj n TYR -8 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 176.86 176.19 1rmj n PHE -7 N -0.24 0.78 -1.10 -0.72 7.35 -1.20 -2.75 117.46 119.56 1rmj n PHE -7 Ca 0.09 0.78 -0.39 0.00 -0.76 0.00 0.00 57.45 57.17 1rmj n PHE -7 Cb 0.13 -1.21 -0.05 0.00 0.35 0.00 0.00 39.48 38.70 1rmj n PHE -7 CO 0.00 0.00 0.00 1.04 -0.76 0.00 0.00 176.76 177.04 1rmj n GLN -6 N -4.51 1.69 0.21 -4.13 6.02 -1.26 -4.66 117.38 110.75 1rmj n GLN -6 Ca 0.26 -1.81 -0.09 0.00 -0.01 0.00 0.00 57.00 55.35 1rmj n GLN -6 Cb 0.89 -2.85 -0.04 0.00 1.02 0.00 0.00 30.24 29.26 1rmj n GLN -6 CO 0.00 0.00 0.00 0.78 -1.01 0.00 0.00 177.06 176.83 1rmj h GLY -5 N 12.52 -0.61 0.00 1.08 0.00 -1.92 -3.43 103.07 110.72 1rmj h GLY -5 Ca 0.45 0.23 0.00 0.00 0.00 0.00 0.00 47.33 48.00 1rmj h GLY -5 CO 1.86 -0.22 0.00 0.00 0.00 0.00 0.00 176.54 178.18 1rmj n ALA -4 N -2.57 0.00 -2.87 3.60 0.00 -1.26 -5.02 120.51 112.39 1rmj n ALA -4 Ca -0.07 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.37 1rmj n ALA -4 Cb 0.23 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.68 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 2.57 -2.38 0.00 2.81 -1.26 -5.00 117.12 113.86 1rmj n MET -3 Ca 0.00 0.00 -0.40 0.00 -1.81 0.00 0.00 57.70 55.49 1rmj n MET -3 Cb 0.00 0.00 -0.03 0.00 -0.71 0.00 0.00 33.22 32.48 1rmj n MET -3 CO 0.00 0.00 0.00 0.20 1.51 0.00 0.00 175.97 177.68 1rmj s GLY -2 N -1.00 0.68 0.00 3.03 0.00 -0.41 -4.26 107.32 105.37 1rmj s GLY -2 Ca 0.00 -1.23 0.00 0.00 0.00 0.00 0.00 44.72 43.49 1rmj s GLY -2 CO 0.00 2.91 0.00 1.44 0.00 0.00 0.00 173.10 177.45 1rmj n SER -1 N 10.50 0.00 -0.90 1.64 7.64 -1.26 -4.42 113.62 126.82 1rmj n SER -1 Ca 0.11 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.99 1rmj n SER -1 Cb 0.50 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.70 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 0.00 0.53 0.29 0.23 0.00 -1.26 -4.94 105.19 100.04 1rmj n GLY 1 Ca 0.00 -0.51 -0.08 0.00 0.00 0.00 0.00 46.02 45.43 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 0.94 0.22 1.61 0.13 -1.66 -1.89 132.00 131.35 1rmj h PRO 2 Ca 0.00 -0.33 -0.33 0.00 -0.87 0.00 0.00 66.00 64.47 1rmj h PRO 2 Cb 0.98 -0.07 0.03 0.00 0.13 0.00 0.00 31.00 32.07 1rmj h PRO 2 CO 0.00 0.99 -1.45 0.00 -0.23 0.00 0.00 178.00 177.31 1rmj h ARG 4 N 0.13 0.45 -0.35 0.00 9.65 -1.18 1.29 114.38 124.37 1rmj h ARG 4 Ca -0.24 -0.03 -0.07 0.00 -1.10 0.00 0.00 59.98 58.55 1rmj h ARG 4 Cb 2.12 -0.10 -0.01 0.00 -1.39 0.00 0.00 29.97 30.59 1rmj h ARG 4 CO 0.25 0.30 -0.06 0.00 2.80 0.00 0.00 179.97 183.27 1rmj h ARG 5 N 0.46 0.65 -0.40 0.20 3.08 -1.42 -1.28 114.38 115.67 1rmj h ARG 5 Ca 0.33 -0.24 -0.01 0.00 0.07 0.00 0.00 59.98 60.13 1rmj h ARG 5 Cb 0.40 -0.04 -0.02 0.00 0.08 0.00 0.00 29.97 30.39 1rmj h ARG 5 CO -0.31 0.80 0.21 1.25 -1.07 0.00 0.00 179.97 180.85 1rmj h HIS 6 N 0.45 0.56 0.16 3.04 2.76 -0.93 -0.62 115.15 120.57 1rmj h HIS 6 Ca 0.09 -0.02 -0.01 0.00 -2.20 0.00 0.00 60.37 58.24 1rmj h HIS 6 Cb 0.54 -0.18 -0.00 0.00 1.55 0.00 0.00 27.41 29.32 1rmj h HIS 6 CO 0.05 0.45 -0.09 1.25 -1.30 0.00 0.00 177.93 178.28 1rmj h LEU 7 N 0.52 -0.22 -0.33 0.26 6.46 0.17 0.15 115.31 122.31 1rmj h LEU 7 Ca 0.14 0.01 0.01 0.00 -0.12 0.00 0.00 57.88 57.92 1rmj h LEU 7 Cb 0.08 0.07 -0.02 0.00 -0.73 0.00 0.00 40.66 40.05 1rmj h LEU 7 CO -0.02 -0.15 0.20 -0.78 -0.62 0.00 0.00 178.44 177.07 1rmj h ASP 8 N -0.24 0.33 -0.26 1.25 3.58 -1.08 1.88 116.42 121.89 1rmj h ASP 8 Ca -0.02 -0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.44 1rmj h ASP 8 Cb 0.20 -0.07 -0.01 0.00 1.72 0.00 0.00 39.33 41.16 1rmj h ASP 8 CO 0.02 0.24 0.17 0.28 -2.88 0.00 0.00 179.24 177.07 1rmj h SER 9 N 0.41 0.29 -0.23 2.28 0.02 -0.94 0.16 113.55 115.54 1rmj h SER 9 Ca 0.13 -0.01 -0.14 0.00 -0.84 0.00 0.00 61.79 60.93 1rmj h SER 9 Cb -0.01 -0.07 -0.01 0.00 0.14 0.00 0.00 62.40 62.45 1rmj h SER 9 CO -0.05 0.21 -0.36 0.58 -1.14 0.00 0.00 176.83 176.07 1rmj h VAL 10 N 0.34 1.28 -0.39 2.27 2.07 -0.27 -0.80 116.25 120.75 1rmj h VAL 10 Ca 0.09 -1.52 0.03 0.00 0.82 0.00 0.00 66.70 66.13 1rmj h VAL 10 Cb -0.04 1.41 -0.03 0.00 -1.52 0.00 0.00 31.29 31.11 1rmj h VAL 10 CO -0.02 0.50 0.19 0.25 0.02 0.00 0.00 177.57 178.51 1rmj h LEU 11 N 0.63 0.27 -0.23 2.57 5.85 0.36 1.62 115.31 126.39 1rmj h LEU 11 Ca 0.06 0.02 -0.05 0.00 0.84 0.00 0.00 57.88 58.75 1rmj h LEU 11 Cb 0.90 -0.03 -0.01 0.00 0.37 0.00 0.00 40.66 41.90 1rmj h LEU 11 CO 0.08 0.20 -0.07 1.56 -0.34 0.00 0.00 178.44 179.87 1rmj h GLN 12 N 0.39 0.45 -0.14 1.25 1.08 -0.56 -3.28 115.11 114.30 1rmj h GLN 12 Ca 0.17 -0.18 -0.20 0.00 -1.45 0.00 0.00 58.65 56.99 1rmj h GLN 12 Cb 0.09 -0.02 0.00 0.00 -0.05 0.00 0.00 27.48 27.50 1rmj h GLN 12 CO -0.13 0.70 -0.73 1.96 -0.95 0.00 0.00 178.83 179.68 1rmj h GLN 13 N 0.18 0.66 -0.86 1.46 4.20 -0.71 -3.30 115.11 116.73 1rmj h GLN 13 Ca 0.06 -0.52 0.20 0.00 0.06 0.00 0.00 58.65 58.45 1rmj h GLN 13 Cb 0.54 0.10 -0.06 0.00 0.30 0.00 0.00 27.48 28.36 1rmj h GLN 13 CO 0.03 1.14 0.58 1.37 -0.67 0.00 0.00 178.83 181.27 1rmj h LEU 14 N 0.46 0.34 -0.07 1.46 8.10 0.23 1.62 115.31 127.45 1rmj h LEU 14 Ca -0.04 0.03 -0.24 0.00 0.11 0.00 0.00 57.88 57.74 1rmj h LEU 14 Cb 1.33 -0.03 0.00 0.00 -0.44 0.00 0.00 40.66 41.52 1rmj h LEU 14 CO 0.14 0.14 -1.05 1.56 -4.11 0.00 0.00 178.44 175.12 1rmj h GLN 15 N 0.34 0.36 0.02 0.17 4.20 -1.67 -3.08 115.11 115.44 1rmj h GLN 15 Ca 0.44 -0.46 -0.29 0.00 0.06 0.00 0.00 58.65 58.41 1rmj h GLN 15 Cb 1.18 0.15 -0.04 0.00 0.30 0.00 0.00 27.48 29.07 1rmj h GLN 15 CO -0.14 1.15 -1.64 1.15 -0.67 0.00 0.00 178.83 178.68 1rmj h THR 16 N 0.17 0.94 -0.48 -0.54 2.02 -1.27 -3.35 112.91 110.41 1rmj h THR 16 Ca -0.10 -2.76 -0.11 0.00 0.77 0.00 0.00 66.41 64.21 1rmj h THR 16 Cb 1.72 2.49 -0.07 0.00 -1.74 0.00 0.00 68.15 70.56 1rmj h THR 16 CO 0.18 0.59 0.14 -0.62 0.37 0.00 0.00 175.52 176.18 1rmj n GLU 17 N -3.14 3.08 0.19 6.66 -0.58 0.54 -4.34 120.64 123.05 1rmj n GLU 17 Ca -0.16 -2.10 0.06 0.00 -0.42 0.00 0.00 57.16 54.54 1rmj n GLU 17 Cb 1.04 -1.95 0.30 0.00 -0.57 0.00 0.00 31.44 30.25 1rmj n GLU 17 CO 0.00 0.00 0.00 -0.24 -0.48 0.00 0.00 177.13 176.41 1rmj h VAL 18 N 2.07 0.77 0.02 2.62 3.04 -1.67 0.24 116.25 123.34 1rmj h VAL 18 Ca 0.14 -1.57 0.03 0.00 -1.01 0.00 0.00 66.70 64.29 1rmj h VAL 18 Cb 1.75 2.00 -0.05 0.00 -2.01 0.00 0.00 31.29 32.98 1rmj h VAL 18 CO 0.47 0.35 -0.38 0.10 -1.01 0.00 0.00 177.57 177.10 1rmj h TYR 19 N 0.00 -1.05 0.08 3.17 -0.00 -1.89 0.79 116.97 118.06 1rmj h TYR 19 Ca -0.00 0.03 -0.33 0.00 -0.00 0.00 0.00 58.73 58.43 1rmj h TYR 19 Cb 0.97 0.46 -0.03 0.00 -0.00 0.00 0.00 36.73 38.14 1rmj h TYR 19 CO 0.00 -0.47 -1.81 0.00 -0.00 0.00 0.00 178.16 175.88 1rmj h ARG 20 N -0.55 0.16 0.00 0.10 -0.00 -1.93 -3.35 114.38 108.82 1rmj h ARG 20 Ca 0.05 -0.28 0.00 0.00 -0.50 0.00 0.00 59.98 59.25 1rmj h ARG 20 Cb 0.62 0.10 0.00 0.00 0.00 0.00 0.00 29.97 30.69 1rmj h ARG 20 CO -0.28 0.92 0.00 0.41 0.00 0.00 0.00 179.97 181.02 1rmj n GLY 21 N 1.77 -1.22 0.34 0.04 0.00 0.07 -3.23 105.19 102.96 1rmj n GLY 21 Ca -0.24 -0.01 0.20 0.00 0.00 0.00 0.00 46.02 45.98 1rmj n GLY 21 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1rmj h ALA 22 N 2.48 1.15 -0.00 4.61 0.00 0.47 0.62 119.26 128.59 1rmj h ALA 22 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1rmj h ALA 22 Cb 0.37 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.16 1rmj h ALA 22 CO 0.00 -0.14 -0.64 0.00 0.00 0.00 0.00 179.25 178.47 1rmj n GLN 23 N -3.02 1.49 -1.07 0.00 10.64 -1.16 -1.05 117.38 123.22 1rmj n GLN 23 Ca -0.03 -0.32 -0.04 0.00 -1.83 0.00 0.00 57.00 54.78 1rmj n GLN 23 Cb 0.20 -1.31 -0.02 0.00 -0.86 0.00 0.00 30.24 28.25 1rmj n GLN 23 CO 0.00 0.00 0.00 -2.37 -1.83 0.00 0.00 177.06 172.86 1rmj n THR 24 N -0.91 0.00 -2.66 -0.39 5.66 0.35 -3.73 114.28 112.59 1rmj n THR 24 Ca 0.05 -0.11 -0.43 0.00 -3.05 0.00 0.00 64.05 60.51 1rmj n THR 24 Cb 0.30 0.41 -0.02 0.00 -1.55 0.00 0.00 70.33 69.47 1rmj n THR 24 CO 0.00 0.00 0.00 -0.22 -3.05 0.00 0.00 175.07 171.80 1rmj s LEU 25 N -0.44 4.12 -0.19 1.09 0.20 0.20 -4.05 118.68 119.61 1rmj s LEU 25 Ca 0.01 1.40 -0.06 0.00 0.69 0.00 0.00 54.13 56.18 1rmj s LEU 25 Cb 0.05 -3.54 -0.03 0.00 -0.43 0.00 0.00 46.19 42.23 1rmj s LEU 25 CO -0.01 -0.63 0.02 -0.47 -0.29 0.00 0.00 176.35 174.96 1rmj s TYR 26 N 3.01 3.12 -0.06 5.38 5.04 -1.25 0.10 117.35 132.69 1rmj s TYR 26 Ca 0.45 -0.21 0.02 0.00 -2.44 0.00 0.00 57.07 54.89 1rmj s TYR 26 Cb -0.16 -2.07 -0.03 0.00 0.35 0.00 0.00 41.96 40.06 1rmj s TYR 26 CO 0.08 -0.05 -0.10 0.14 -1.34 0.00 0.00 175.55 174.28 1rmj s VAL 27 N 0.66 3.45 0.12 3.14 -7.23 -1.18 -4.92 120.40 114.44 1rmj s VAL 27 Ca 0.01 -0.57 -0.21 0.00 -1.81 0.00 0.00 61.98 59.39 1rmj s VAL 27 Cb -0.14 -2.39 -0.07 0.00 0.56 0.00 0.00 36.38 34.34 1rmj s VAL 27 CO 0.02 0.59 0.66 -2.16 -0.31 0.00 0.00 175.10 173.90 1rmj s PRO 28 N -0.72 4.34 -0.16 4.82 0.04 -1.26 -3.88 135.00 138.18 1rmj s PRO 28 Ca 0.11 0.90 -0.17 0.00 0.04 0.00 0.00 61.00 61.89 1rmj s PRO 28 Cb -0.11 -3.21 -0.04 0.00 0.04 0.00 0.00 34.50 31.18 1rmj s PRO 28 CO 0.01 0.59 0.43 1.21 0.04 0.00 0.00 177.00 179.28 1rmj s ASN 29 N -1.19 6.56 0.04 6.66 2.47 -0.53 -4.62 114.94 124.32 1rmj s ASN 29 Ca 0.33 0.66 0.07 0.00 0.42 0.00 0.00 52.86 54.34 1rmj s ASN 29 Cb -0.21 -2.25 -0.03 0.00 -1.45 0.00 0.00 41.25 37.31 1rmj s ASN 29 CO 0.22 -0.03 -0.18 0.00 -3.72 0.00 0.00 177.10 173.39 1rmj s ASP 31 N -1.40 4.74 0.61 0.00 1.47 -0.99 -4.75 116.67 116.35 1rmj s ASP 31 Ca 0.14 -0.34 0.27 0.00 1.18 0.00 0.00 52.55 53.81 1rmj s ASP 31 Cb -0.10 -0.22 1.35 0.00 -0.34 0.00 0.00 42.92 43.61 1rmj s ASP 31 CO 0.05 -1.57 1.76 -0.74 0.68 0.00 0.00 175.17 175.35 1rmj h HIS 32 N -0.24 0.00 -0.29 2.11 2.76 -2.00 0.48 115.15 117.97 1rmj h HIS 32 Ca -0.37 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 57.80 1rmj h HIS 32 Cb 1.28 0.00 0.00 0.00 1.55 0.00 0.00 27.41 30.24 1rmj h HIS 32 CO 0.06 0.00 0.00 2.89 -1.30 0.00 0.00 177.93 179.58 1rmj n ARG 33 N -3.41 1.99 -0.75 5.26 -4.01 -1.26 -4.31 116.66 110.16 1rmj n ARG 33 Ca 0.08 -1.17 0.00 0.00 -1.04 0.00 0.00 57.85 55.72 1rmj n ARG 33 Cb 0.77 -1.41 0.00 0.00 -3.04 0.00 0.00 32.46 28.78 1rmj n ARG 33 CO 0.00 0.00 0.00 0.41 -3.04 0.00 0.00 177.63 175.00 1rmj n GLY 34 N 0.78 0.36 3.40 2.89 0.00 0.17 -1.29 105.19 111.50 1rmj n GLY 34 Ca 0.11 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.91 1rmj n GLY 34 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1rmj n PHE 35 N -2.07 -3.33 -2.75 1.61 3.01 -1.26 0.10 117.46 112.78 1rmj n PHE 35 Ca 0.00 -1.38 -0.42 0.00 1.01 0.00 0.00 57.45 56.66 1rmj n PHE 35 Cb 0.05 -0.73 -0.03 0.00 -0.01 0.00 0.00 39.48 38.77 1rmj n PHE 35 CO 0.00 0.00 0.00 0.71 1.01 0.00 0.00 176.76 178.48 1rmj s TYR 36 N -2.97 2.71 -0.04 1.38 2.02 -1.22 -2.35 117.35 116.86 1rmj s TYR 36 Ca 0.61 -0.81 -0.04 0.00 -0.37 0.00 0.00 57.07 56.46 1rmj s TYR 36 Cb -0.03 -4.46 -0.02 0.00 -0.40 0.00 0.00 41.96 37.06 1rmj s TYR 36 CO 0.41 -1.75 0.22 -0.09 -1.57 0.00 0.00 175.55 172.77 1rmj h ARG 37 N 9.48 -0.13 0.00 -0.62 2.43 -1.06 -3.34 114.38 121.15 1rmj h ARG 37 Ca -0.02 0.01 -0.14 0.00 -0.81 0.00 0.00 59.98 59.02 1rmj h ARG 37 Cb 1.04 0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 30.59 1rmj h ARG 37 CO 1.24 -0.08 -1.40 1.17 -1.51 0.00 0.00 179.97 179.39 1rmj n LYS 38 N -3.75 0.54 -4.38 0.20 4.81 -1.26 -3.93 118.16 110.39 1rmj n LYS 38 Ca -0.02 0.26 -0.23 0.00 -0.87 0.00 0.00 58.31 57.45 1rmj n LYS 38 Cb 0.05 -1.48 -0.11 0.00 0.02 0.00 0.00 35.03 33.51 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 -2.72 1.42 -0.13 1.64 3.52 -1.26 0.10 118.95 121.51 1rmj s ARG 39 Ca -0.31 -1.52 -0.04 0.00 -0.13 0.00 0.00 55.73 53.73 1rmj s ARG 39 Cb 0.07 -1.54 0.06 0.00 -1.56 0.00 0.00 34.95 31.98 1rmj s ARG 39 CO 0.44 0.31 0.14 -0.65 -0.81 0.00 0.00 175.30 174.73 1rmj s GLN 40 N -2.95 0.07 -0.05 5.12 -0.21 -0.57 -1.45 119.66 119.62 1rmj s GLN 40 Ca 0.20 0.27 -0.08 0.00 0.02 0.00 0.00 55.36 55.76 1rmj s GLN 40 Cb -0.06 -0.99 0.01 0.00 1.00 0.00 0.00 33.01 32.98 1rmj s GLN 40 CO 0.09 -0.50 0.20 0.00 -2.12 0.00 0.00 175.29 172.96 1rmj s ARG 42 N -0.55 4.61 -0.25 0.00 1.81 -1.22 -3.12 118.95 120.24 1rmj s ARG 42 Ca -0.06 1.22 -0.15 0.00 -1.72 0.00 0.00 55.73 55.01 1rmj s ARG 42 Cb -0.04 -3.29 -0.04 0.00 -0.45 0.00 0.00 34.95 31.13 1rmj s ARG 42 CO 0.01 0.49 0.36 -1.12 -0.68 0.00 0.00 175.30 174.36 1rmj s SER 43 N -0.89 6.29 -0.04 0.23 0.01 0.28 -4.65 113.70 114.94 1rmj s SER 43 Ca 0.38 0.33 0.02 0.00 1.31 0.00 0.00 55.95 57.99 1rmj s SER 43 Cb -0.23 -2.21 0.01 0.00 0.21 0.00 0.00 66.02 63.81 1rmj s SER 43 CO 0.27 -0.13 -0.06 -0.44 0.41 0.00 0.00 173.24 173.28 1rmj s SER 44 N 1.43 1.02 0.46 2.44 0.01 -1.23 0.13 113.70 117.96 1rmj s SER 44 Ca 0.15 -0.15 0.15 0.00 1.31 0.00 0.00 55.95 57.41 1rmj s SER 44 Cb -0.15 -0.40 1.06 0.00 0.21 0.00 0.00 66.02 66.74 1rmj s SER 44 CO 0.09 -0.00 2.03 1.56 0.41 0.00 0.00 173.24 177.33 1rmj h GLN 45 N 6.81 0.01 -6.59 12.44 1.08 -1.36 -3.41 115.11 124.08 1rmj h GLN 45 Ca -0.35 -0.00 -0.69 0.00 -1.45 0.00 0.00 58.65 56.15 1rmj h GLN 45 Cb 1.16 -0.00 -0.24 0.00 -0.05 0.00 0.00 27.48 28.35 1rmj h GLN 45 CO 0.48 0.14 -0.83 0.20 -0.95 0.00 0.00 178.83 177.87 1rmj s GLY 46 N -4.15 1.48 0.00 3.46 0.00 -1.26 -5.01 107.32 101.84 1rmj s GLY 46 Ca -0.04 -1.18 0.00 0.00 0.00 0.00 0.00 44.72 43.50 1rmj s GLY 46 CO 0.69 -1.04 1.18 0.61 0.00 0.00 0.00 173.10 174.54 1rmj n GLN 47 N 1.83 0.94 0.07 2.90 10.64 -1.26 -3.90 117.38 128.60 1rmj n GLN 47 Ca -0.16 0.00 -0.13 0.00 -1.83 0.00 0.00 57.00 54.87 1rmj n GLN 47 Cb 0.52 -1.03 -0.13 0.00 -0.86 0.00 0.00 30.24 28.73 1rmj n GLN 47 CO 0.00 0.00 0.00 -0.09 -1.83 0.00 0.00 177.06 175.14 1rmj h ARG 48 N 0.41 0.17 -5.88 2.61 1.12 -1.94 -3.46 114.38 107.41 1rmj h ARG 48 Ca 0.00 -0.29 -0.51 0.00 -1.11 0.00 0.00 59.98 58.08 1rmj h ARG 48 Cb 0.94 0.11 -0.20 0.00 -0.01 0.00 0.00 29.97 30.80 1rmj h ARG 48 CO 0.00 1.07 -0.80 1.03 -3.11 0.00 0.00 179.97 178.16 1rmj s ARG 49 N -2.66 1.09 0.00 0.20 0.52 -1.25 -5.09 118.95 111.76 1rmj s ARG 49 Ca -0.04 -1.19 0.00 0.00 -0.52 0.00 0.00 55.73 53.98 1rmj s ARG 49 Cb 0.08 -1.21 0.00 0.00 0.52 0.00 0.00 34.95 34.33 1rmj s ARG 49 CO 0.85 0.27 0.00 0.41 0.02 0.00 0.00 175.30 176.85 1rmj n GLY 50 N 0.88 1.62 3.80 -3.53 0.00 -1.26 -4.62 105.19 102.08 1rmj n GLY 50 Ca -0.18 0.28 -0.23 0.00 0.00 0.00 0.00 46.02 45.89 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 3.46 2.85 0.00 1.61 0.04 -1.26 -4.67 135.00 137.04 1rmj s PRO 51 Ca 0.00 -1.07 -0.16 0.00 0.04 0.00 0.00 61.00 59.81 1rmj s PRO 51 Cb 0.00 -2.53 -0.06 0.00 0.04 0.00 0.00 34.50 31.95 1rmj s PRO 51 CO 0.00 0.41 0.44 0.00 0.04 0.00 0.00 177.00 177.89 1rmj s TRP 53 N -0.94 -0.03 0.57 0.00 -2.14 -0.14 -4.97 118.94 111.29 1rmj s TRP 53 Ca 0.25 -0.05 -0.14 0.00 2.66 0.00 0.00 56.10 58.82 1rmj s TRP 53 Cb -0.17 0.01 -0.06 0.00 -3.10 0.00 0.00 33.47 30.15 1rmj s TRP 53 CO 0.14 -0.37 1.01 0.00 -2.66 0.00 0.00 176.95 175.07 1rmj s VAL 55 N -2.85 0.05 0.58 0.00 -7.23 0.28 0.18 120.40 111.42 1rmj s VAL 55 Ca 0.58 -1.87 0.09 0.00 -1.81 0.00 0.00 61.98 58.97 1rmj s VAL 55 Cb -0.11 -2.24 0.09 0.00 0.56 0.00 0.00 36.38 34.68 1rmj s VAL 55 CO 0.41 -0.21 0.74 1.51 -0.31 0.00 0.00 175.10 177.24 1rmj s ASP 56 N -3.09 4.97 0.55 4.85 -4.77 -1.07 -4.23 116.67 113.88 1rmj s ASP 56 Ca 0.30 -0.96 0.34 0.00 -3.30 0.00 0.00 52.55 48.92 1rmj s ASP 56 Cb 0.06 0.41 1.50 0.00 -1.09 0.00 0.00 42.92 43.81 1rmj s ASP 56 CO 0.07 -1.35 1.82 0.08 0.70 0.00 0.00 175.17 176.48 1rmj h ARG 57 N 0.24 0.00 0.00 2.11 0.11 -1.74 0.27 114.38 115.38 1rmj h ARG 57 Ca -0.30 0.00 -0.01 0.00 0.10 0.00 0.00 59.98 59.76 1rmj h ARG 57 Cb 1.29 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 32.37 1rmj h ARG 57 CO 0.43 0.00 -0.77 0.52 0.10 0.00 0.00 179.97 180.25 1rmj h MET 58 N 0.00 0.00 0.00 0.08 2.86 -1.93 -3.24 114.93 112.70 1rmj h MET 58 Ca 0.48 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 58.12 1rmj h MET 58 Cb 2.00 0.00 0.00 0.00 0.06 0.00 0.00 31.60 33.66 1rmj h MET 58 CO -0.01 0.03 0.00 0.41 1.06 0.00 0.00 176.91 178.41 1rmj n GLY 59 N 1.18 1.42 3.69 8.32 0.00 0.96 -4.77 105.19 115.98 1rmj n GLY 59 Ca 0.00 0.00 -0.42 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 -0.08 4.33 -0.37 1.61 2.20 -1.26 -4.70 119.74 121.48 1rmj s LYS 60 Ca 0.00 1.80 -0.28 0.00 -0.36 0.00 0.00 55.97 57.14 1rmj s LYS 60 Cb 0.00 -3.55 -0.03 0.00 -1.51 0.00 0.00 37.83 32.75 1rmj s LYS 60 CO 0.00 -0.49 1.89 -1.12 -0.36 0.00 0.00 175.35 175.27 1rmj s SER 61 N 1.61 5.66 -0.52 1.43 0.01 -1.26 -2.59 113.70 118.04 1rmj s SER 61 Ca 0.59 1.21 -0.21 0.00 1.31 0.00 0.00 55.95 58.85 1rmj s SER 61 Cb -0.28 -2.52 0.05 0.00 0.21 0.00 0.00 66.02 63.48 1rmj s SER 61 CO 0.24 -1.91 0.75 -0.76 0.41 0.00 0.00 173.24 171.98 1rmj s LEU 62 N 7.69 4.62 0.00 2.44 1.43 0.49 -4.93 118.68 130.42 1rmj s LEU 62 Ca 0.81 -0.69 -0.25 0.00 -1.03 0.00 0.00 54.13 52.98 1rmj s LEU 62 Cb -0.22 -2.60 -0.15 0.00 0.03 0.00 0.00 46.19 43.25 1rmj s LEU 62 CO 0.31 -1.02 1.13 1.55 0.23 0.00 0.00 176.35 178.55 1rmj h PRO 63 N 9.12 -0.58 0.00 1.29 0.13 -1.92 -3.11 132.00 136.92 1rmj h PRO 63 Ca -0.27 0.04 0.00 0.00 -0.87 0.00 0.00 66.00 64.90 1rmj h PRO 63 Cb 1.09 0.13 0.00 0.00 0.13 0.00 0.00 31.00 32.35 1rmj h PRO 63 CO 1.01 -0.27 0.00 0.41 -0.23 0.00 0.00 178.00 178.92 1rmj n GLY 64 N -0.34 1.25 3.16 1.56 0.00 -1.26 -4.31 105.19 105.24 1rmj n GLY 64 Ca -0.10 -0.56 -0.34 0.00 0.00 0.00 0.00 46.02 45.02 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 -4.00 4.57 0.00 1.61 0.01 -1.26 -4.96 113.70 109.67 1rmj s SER 65 Ca 0.00 -1.17 0.16 0.00 1.31 0.00 0.00 55.95 56.25 1rmj s SER 65 Cb 0.00 -1.65 0.72 0.00 0.21 0.00 0.00 66.02 65.30 1rmj s SER 65 CO 0.00 -0.20 1.50 -0.81 0.41 0.00 0.00 173.24 174.14 1rmj n PRO 66 N 4.59 0.07 -0.37 12.44 -0.04 -1.26 -2.77 135.00 147.67 1rmj n PRO 66 Ca -0.15 0.20 0.04 0.00 -0.04 0.00 0.00 63.50 63.55 1rmj n PRO 66 Cb 0.44 -1.50 0.18 0.00 -0.04 0.00 0.00 33.50 32.58 1rmj n PRO 66 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1rmj n ASP 67 N -1.44 2.91 -3.86 3.54 9.92 -1.26 -4.72 116.55 121.64 1rmj n ASP 67 Ca 0.05 -2.34 -0.28 0.00 -0.53 0.00 0.00 54.79 51.69 1rmj n ASP 67 Cb 0.17 -0.51 -0.17 0.00 -0.64 0.00 0.00 41.12 39.97 1rmj n ASP 67 CO 0.00 0.00 0.00 -0.83 0.13 0.00 0.00 177.20 176.50 1rmj s GLY 68 N -0.49 0.89 -0.75 0.44 0.00 -1.11 -5.06 107.32 101.24 1rmj s GLY 68 Ca 0.25 -0.75 -0.26 0.00 0.00 0.00 0.00 44.72 43.96 1rmj s GLY 68 CO 0.09 1.01 2.11 0.21 0.00 0.00 0.00 173.10 176.51 1rmj s ASN 69 N 1.68 4.76 0.00 1.64 3.04 -1.26 -2.04 114.94 122.77 1rmj s ASN 69 Ca 0.01 -0.02 0.00 0.00 0.04 0.00 0.00 52.86 52.89 1rmj s ASN 69 Cb -0.15 -2.54 0.00 0.00 -1.54 0.00 0.00 41.25 37.02 1rmj s ASN 69 CO -0.07 -2.96 0.00 0.61 -3.04 0.00 0.00 177.10 171.63 1rmj n GLY 70 N 6.46 2.60 0.21 1.21 0.00 -1.26 -4.96 105.19 109.44 1rmj n GLY 70 Ca 0.37 -0.31 0.06 0.00 0.00 0.00 0.00 46.02 46.14 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 1.13 0.00 0.70 1.61 4.64 -1.66 -2.47 113.55 117.51 1rmj h SER 71 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1rmj h SER 71 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 1rmj h SER 71 CO 0.00 0.31 0.00 0.28 -0.87 0.00 0.00 176.83 176.55 1rmj h SER 72 N 0.00 0.00 -2.10 4.97 0.02 -1.80 -3.44 113.55 111.20 1rmj h SER 72 Ca -0.00 0.00 -0.43 0.00 -0.84 0.00 0.00 61.79 60.52 1rmj h SER 72 Cb 0.66 0.00 0.03 0.00 0.14 0.00 0.00 62.40 63.23 1rmj h SER 72 CO 0.04 0.00 -0.13 -0.44 -1.14 0.00 0.00 176.83 175.16 1rmj s SER 73 N -4.77 5.47 -0.08 3.07 0.01 -0.93 -4.17 113.70 112.30 1rmj s SER 73 Ca 0.02 -0.16 -0.06 0.00 1.31 0.00 0.00 55.95 57.06 1rmj s SER 73 Cb 0.09 -0.84 0.03 0.00 0.21 0.00 0.00 66.02 65.51 1rmj s SER 73 CO 0.42 -0.95 0.21 0.00 0.41 0.00 0.00 173.24 173.33 1rmj h PRO 75 N 6.48 0.13 0.00 0.00 0.13 -1.94 -3.43 132.00 133.36 1rmj h PRO 75 Ca -0.33 -0.22 -0.30 0.00 -0.87 0.00 0.00 66.00 64.28 1rmj h PRO 75 Cb 1.17 0.08 0.18 0.00 0.13 0.00 0.00 31.00 32.56 1rmj h PRO 75 CO 0.39 1.11 -0.15 -2.37 -0.23 0.00 0.00 178.00 176.75 1rmj n THR 76 N -4.08 0.00 0.00 1.56 5.66 -1.26 -4.87 114.28 111.29 1rmj n THR 76 Ca -0.29 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.71 1rmj n THR 76 Cb 0.82 -0.81 0.00 0.00 -1.55 0.00 0.00 70.33 68.79 1rmj n THR 76 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1rmj n GLY 77 N -4.24 -0.57 3.59 1.09 0.00 -1.26 -4.74 105.19 99.06 1rmj n GLY 77 Ca 0.11 0.22 -0.43 0.00 0.00 0.00 0.00 46.02 45.93 1rmj n GLY 77 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1rmj s SER 78 N -4.00 6.62 0.54 1.61 0.01 -1.26 -4.75 113.70 112.47 1rmj s SER 78 Ca 0.00 0.41 0.36 0.00 1.31 0.00 0.00 55.95 58.02 1rmj s SER 78 Cb 0.00 -2.51 1.54 0.00 0.21 0.00 0.00 66.02 65.26 1rmj s SER 78 CO 0.00 -1.11 1.82 0.28 0.41 0.00 0.00 173.24 174.64 1rmj h SER 79 N 9.00 0.00 0.00 2.44 0.02 -2.00 -3.53 113.55 119.48 1rmj h SER 79 Ca -0.23 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.72 1rmj h SER 79 Cb 1.07 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.61 1rmj h SER 79 CO 1.07 0.00 0.00 0.61 -1.14 0.00 0.00 176.83 177.37