#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 -3.94 -2.15 1.43 4.01 -1.26 -4.99 117.16 110.26 1rmj n TYR -26 Ca 0.00 2.30 -0.05 0.00 -0.16 0.00 0.00 57.90 60.00 1rmj n TYR -26 Cb 0.00 -3.61 0.08 0.00 -0.31 0.00 0.00 39.34 35.50 1rmj n TYR -26 CO 0.00 0.00 0.00 0.66 -0.46 0.00 0.00 176.86 177.06 1rmj n TYR -25 N 1.49 1.07 -2.92 -0.72 4.01 -1.26 -5.04 117.16 113.78 1rmj n TYR -25 Ca -0.34 -1.64 -0.07 0.00 -0.16 0.00 0.00 57.90 55.68 1rmj n TYR -25 Cb 0.53 -0.25 0.01 0.00 -0.31 0.00 0.00 39.34 39.32 1rmj n TYR -25 CO 0.00 0.00 0.00 1.58 -0.46 0.00 0.00 176.86 177.98 1rmj n HIS -24 N -0.57 -3.12 0.21 -0.72 -0.00 -1.26 -4.96 115.22 104.80 1rmj n HIS -24 Ca 0.22 1.33 0.00 0.00 -0.00 0.00 0.00 57.72 59.27 1rmj n HIS -24 Cb 0.89 -3.35 0.00 0.00 -0.00 0.00 0.00 29.99 27.52 1rmj n HIS -24 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92 1rmj n HIS -23 N 0.36 -4.52 -4.25 1.57 -0.00 -1.26 -5.12 115.22 102.00 1rmj n HIS -23 Ca 0.03 1.47 -0.17 0.00 -0.00 0.00 0.00 57.72 59.05 1rmj n HIS -23 Cb 0.30 3.70 -0.11 0.00 -0.00 0.00 0.00 29.99 33.88 1rmj n HIS -23 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.34 174.76 1rmj s HIS -22 N -2.00 1.39 -0.30 1.57 5.65 -1.26 -5.02 115.29 115.32 1rmj s HIS -22 Ca 0.00 -0.60 -0.06 0.00 0.25 0.00 0.00 55.06 54.65 1rmj s HIS -22 Cb 0.00 -0.71 -0.22 0.00 -1.18 0.00 0.00 32.58 30.46 1rmj s HIS -22 CO 0.00 0.15 3.35 1.58 -0.65 0.00 0.00 174.74 179.17 1rmj n HIS -21 N 0.30 0.45 -2.41 3.88 -0.00 -1.26 -4.62 115.22 111.56 1rmj n HIS -21 Ca -0.14 -1.73 0.00 0.00 0.46 0.00 0.00 57.72 56.32 1rmj n HIS -21 Cb 0.58 -1.71 0.00 0.00 -0.12 0.00 0.00 29.99 28.74 1rmj n HIS -21 CO 0.00 0.00 0.00 0.72 0.46 0.00 0.00 176.34 177.52 1rmj n HIS -20 N 2.75 -0.28 -1.88 1.57 -0.00 -1.26 -5.03 115.22 111.10 1rmj n HIS -20 Ca 0.47 0.00 -0.41 0.00 -0.00 0.00 0.00 57.72 57.79 1rmj n HIS -20 Cb 0.74 0.00 -0.01 0.00 -0.00 0.00 0.00 29.99 30.73 1rmj n HIS -20 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06 1rmj n HIS -19 N 0.00 2.77 0.00 4.41 -0.00 -1.26 -4.70 115.22 116.43 1rmj n HIS -19 Ca 0.00 -2.90 0.00 0.00 -0.00 0.00 0.00 57.72 54.82 1rmj n HIS -19 Cb 0.00 -2.13 0.00 0.00 -0.00 0.00 0.00 29.99 27.86 1rmj n HIS -19 CO 0.00 0.00 0.00 -0.40 -0.00 0.00 0.00 176.34 175.94 1rmj n ASP -18 N 3.33 0.00 -3.79 0.41 5.68 -1.26 -3.78 116.55 117.14 1rmj n ASP -18 Ca 0.59 0.99 -0.32 0.00 -0.50 0.00 0.00 54.79 55.56 1rmj n ASP -18 Cb 0.29 -0.49 -0.07 0.00 -1.14 0.00 0.00 41.12 39.71 1rmj n ASP -18 CO 0.00 0.00 0.00 -1.22 -1.33 0.00 0.00 177.20 174.65 1rmj n TYR -17 N -2.53 3.53 0.91 2.11 4.02 -1.26 -4.88 117.16 119.06 1rmj n TYR -17 Ca 0.00 -3.95 0.00 0.00 -0.01 0.00 0.00 57.90 53.94 1rmj n TYR -17 Cb 0.00 -0.83 0.00 0.00 -0.02 0.00 0.00 39.34 38.49 1rmj n TYR -17 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 176.86 172.38 1rmj n ASP -16 N 1.52 0.26 -4.08 7.72 2.03 -1.25 -4.48 116.55 118.27 1rmj n ASP -16 Ca 0.25 -1.18 -0.33 0.00 0.52 0.00 0.00 54.79 54.05 1rmj n ASP -16 Cb 0.38 -0.13 -0.14 0.00 -0.72 0.00 0.00 41.12 40.51 1rmj n ASP -16 CO 0.00 0.00 0.00 0.27 -1.92 0.00 0.00 177.20 175.55 1rmj s ILE -15 N -1.55 2.68 0.62 5.18 -0.00 -1.26 -4.83 121.20 122.04 1rmj s ILE -15 Ca 0.00 -2.00 -0.16 0.00 -0.00 0.00 0.00 60.65 58.49 1rmj s ILE -15 Cb 0.00 -2.80 -0.02 0.00 -0.00 0.00 0.00 42.46 39.64 1rmj s ILE -15 CO 0.00 -0.46 1.10 -2.16 -0.00 0.00 0.00 174.94 173.42 1rmj s PRO -14 N 1.06 3.04 0.00 0.37 0.04 -1.26 -5.08 135.00 133.17 1rmj s PRO -14 Ca 0.05 1.39 0.00 0.00 0.04 0.00 0.00 61.00 62.48 1rmj s PRO -14 Cb -0.20 -1.98 0.00 0.00 0.04 0.00 0.00 34.50 32.35 1rmj s PRO -14 CO -0.05 -1.06 0.00 0.25 0.04 0.00 0.00 177.00 176.17 1rmj n THR -13 N -2.09 0.00 0.03 1.26 -2.24 -1.26 -4.93 114.28 105.05 1rmj n THR -13 Ca 0.10 0.00 -0.02 0.00 -2.27 0.00 0.00 64.05 61.86 1rmj n THR -13 Cb 0.52 -0.04 -0.01 0.00 -2.10 0.00 0.00 70.33 68.70 1rmj n THR -13 CO 0.00 0.00 0.00 0.71 -0.57 0.00 0.00 175.07 175.21 1rmj h THR -12 N 0.00 0.00 0.00 4.28 1.35 -2.03 -3.34 112.91 113.17 1rmj h THR -12 Ca 0.00 -0.25 0.00 0.00 -0.55 0.00 0.00 66.41 65.61 1rmj h THR -12 Cb 0.00 0.00 0.00 0.00 -1.73 0.00 0.00 68.15 66.42 1rmj h THR -12 CO 0.00 0.00 0.00 -0.62 -0.25 0.00 0.00 175.52 174.65 1rmj n GLU -11 N -3.01 0.12 -0.08 4.72 4.71 -1.26 -2.84 120.64 122.99 1rmj n GLU -11 Ca -0.01 0.33 -0.01 0.00 -0.01 0.00 0.00 57.16 57.46 1rmj n GLU -11 Cb 0.04 -1.71 0.25 0.00 -1.01 0.00 0.00 31.44 29.01 1rmj n GLU -11 CO 0.00 0.00 0.00 -0.97 0.09 0.00 0.00 177.13 176.25 1rmj h ASN -10 N 0.00 0.66 0.18 1.62 -0.73 -1.93 -0.33 115.58 115.05 1rmj h ASN -10 Ca 0.00 -0.10 0.00 0.00 1.87 0.00 0.00 56.30 58.07 1rmj h ASN -10 Cb 0.34 -0.17 0.00 0.00 0.27 0.00 0.00 38.32 38.76 1rmj h ASN -10 CO 0.00 0.64 0.00 -0.07 -0.37 0.00 0.00 177.43 177.63 1rmj h LEU -9 N 0.70 0.00 0.00 0.34 3.38 -1.65 0.18 115.31 118.26 1rmj h LEU -9 Ca 0.16 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.13 1rmj h LEU -9 Cb 0.23 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.98 1rmj h LEU -9 CO -0.01 0.00 0.00 0.00 0.09 0.00 0.00 178.44 178.52 1rmj n TYR -8 N -3.03 0.00 -0.11 1.13 9.36 -0.14 -1.89 117.16 122.49 1rmj n TYR -8 Ca -0.02 0.00 -0.21 0.00 3.32 0.00 0.00 57.90 60.99 1rmj n TYR -8 Cb 0.11 -0.29 -0.10 0.00 -0.63 0.00 0.00 39.34 38.44 1rmj n TYR -8 CO 0.00 0.00 0.00 0.34 0.22 0.00 0.00 176.86 177.42 1rmj n PHE -7 N -1.29 0.81 -2.35 2.98 -0.00 0.05 -4.46 117.46 113.21 1rmj n PHE -7 Ca 0.14 0.35 -0.32 0.00 -0.00 0.00 0.00 57.45 57.62 1rmj n PHE -7 Cb 0.24 -1.02 0.01 0.00 -0.00 0.00 0.00 39.48 38.70 1rmj n PHE -7 CO 0.00 0.00 0.00 1.04 -0.00 0.00 0.00 176.76 177.80 1rmj n GLN -6 N -4.43 3.32 0.02 -4.13 6.02 -1.22 -4.73 117.38 112.23 1rmj n GLN -6 Ca -0.32 -4.22 -0.22 0.00 -0.01 0.00 0.00 57.00 52.23 1rmj n GLN -6 Cb 0.66 -2.27 -0.14 0.00 1.02 0.00 0.00 30.24 29.51 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 2.87 0.32 -7.27 1.08 0.00 -1.60 -3.41 103.07 95.07 1rmj h GLY -5 Ca 0.39 -0.82 -0.29 0.00 0.00 0.00 0.00 47.33 46.62 1rmj h GLY -5 CO 1.07 0.72 0.92 0.00 0.00 0.00 0.00 176.54 179.25 1rmj n ALA -4 N -2.94 1.49 -2.19 3.60 0.00 -1.26 -4.87 120.51 114.34 1rmj n ALA -4 Ca -0.25 -2.83 0.00 0.00 0.00 0.00 0.00 53.44 50.35 1rmj n ALA -4 Cb 0.95 -3.47 0.00 0.00 0.00 0.00 0.00 19.45 16.93 1rmj n ALA -4 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1rmj n MET -3 N 8.12 3.14 -0.78 0.00 3.85 -1.26 -4.93 117.12 125.26 1rmj n MET -3 Ca 0.44 0.00 -0.16 0.00 -1.00 0.00 0.00 57.70 56.99 1rmj n MET -3 Cb 0.46 0.00 -0.08 0.00 -1.05 0.00 0.00 33.22 32.55 1rmj n MET -3 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 1rmj n GLY -2 N 5.00 2.81 2.99 3.17 0.00 0.32 -4.76 105.19 114.72 1rmj n GLY -2 Ca 0.00 -0.92 -0.10 0.00 0.00 0.00 0.00 46.02 45.00 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 3.20 -1.90 -4.96 1.61 7.64 -1.26 -4.47 113.62 113.47 1rmj n SER -1 Ca 0.40 -0.38 -0.19 0.00 1.01 0.00 0.00 58.87 59.70 1rmj n SER -1 Cb 0.45 -0.63 0.00 0.00 -1.01 0.00 0.00 64.21 63.02 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 -2.33 2.00 0.54 0.23 0.00 -1.26 -4.91 107.32 101.59 1rmj s GLY 1 Ca 0.00 -1.79 0.27 0.00 0.00 0.00 0.00 44.72 43.21 1rmj s GLY 1 CO 0.36 -1.62 2.13 -0.56 0.00 0.00 0.00 173.10 173.41 1rmj h PRO 2 N 0.69 0.00 0.15 2.90 0.13 -1.81 -2.87 132.00 131.19 1rmj h PRO 2 Ca -0.39 0.00 -0.23 0.00 -0.87 0.00 0.00 66.00 64.52 1rmj h PRO 2 Cb 1.28 0.00 0.03 0.00 0.13 0.00 0.00 31.00 32.43 1rmj h PRO 2 CO 0.49 0.08 -0.98 0.00 -0.23 0.00 0.00 178.00 177.36 1rmj h ARG 4 N -0.15 0.20 -0.25 0.00 1.12 -1.34 0.23 114.38 114.19 1rmj h ARG 4 Ca -0.16 -0.01 -0.12 0.00 -1.11 0.00 0.00 59.98 58.57 1rmj h ARG 4 Cb 1.75 -0.04 -0.01 0.00 -0.01 0.00 0.00 29.97 31.65 1rmj h ARG 4 CO 0.19 0.13 -0.37 0.07 -3.11 0.00 0.00 179.97 176.88 1rmj h ARG 5 N 0.20 0.55 -0.55 0.20 0.11 -1.66 -2.71 114.38 110.53 1rmj h ARG 5 Ca 0.17 -0.26 -0.02 0.00 0.10 0.00 0.00 59.98 59.97 1rmj h ARG 5 Cb 0.19 -0.00 -0.03 0.00 1.11 0.00 0.00 29.97 31.24 1rmj h ARG 5 CO -0.22 0.83 0.28 1.25 0.10 0.00 0.00 179.97 182.22 1rmj h HIS 6 N 0.46 0.78 -0.10 4.08 2.76 -0.85 -1.11 115.15 121.16 1rmj h HIS 6 Ca 0.05 -0.03 0.02 0.00 -2.20 0.00 0.00 60.37 58.20 1rmj h HIS 6 Cb 0.85 -0.24 -0.02 0.00 1.55 0.00 0.00 27.41 29.55 1rmj h HIS 6 CO 0.03 0.59 -0.00 -0.07 -1.30 0.00 0.00 177.93 177.18 1rmj h LEU 7 N 0.74 -0.05 -0.86 0.26 3.38 -0.36 0.40 115.31 118.83 1rmj h LEU 7 Ca 0.19 0.02 0.03 0.00 0.09 0.00 0.00 57.88 58.21 1rmj h LEU 7 Cb 0.09 0.04 -0.05 0.00 0.09 0.00 0.00 40.66 40.84 1rmj h LEU 7 CO -0.03 -0.01 0.56 -0.78 0.09 0.00 0.00 178.44 178.27 1rmj h ASP 8 N 0.03 0.94 -0.10 -0.43 1.82 -1.27 0.81 116.42 118.22 1rmj h ASP 8 Ca 0.05 -0.01 -0.00 0.00 -0.39 0.00 0.00 57.03 56.67 1rmj h ASP 8 Cb 0.06 -0.22 -0.00 0.00 0.68 0.00 0.00 39.33 39.85 1rmj h ASP 8 CO -0.09 0.66 0.06 0.28 -1.61 0.00 0.00 179.24 178.54 1rmj h SER 9 N 1.10 0.12 -0.54 2.28 0.02 -0.49 0.41 113.55 116.45 1rmj h SER 9 Ca 0.33 -0.06 -0.01 0.00 -0.84 0.00 0.00 61.79 61.22 1rmj h SER 9 Cb -0.04 -0.03 -0.03 0.00 0.14 0.00 0.00 62.40 62.45 1rmj h SER 9 CO -0.10 0.14 0.31 0.58 -1.14 0.00 0.00 176.83 176.62 1rmj h VAL 10 N 0.08 1.17 0.02 2.27 2.07 0.61 0.84 116.25 123.31 1rmj h VAL 10 Ca 0.03 -0.42 0.01 0.00 0.82 0.00 0.00 66.70 67.15 1rmj h VAL 10 Cb 0.05 0.47 -0.02 0.00 -1.52 0.00 0.00 31.29 30.27 1rmj h VAL 10 CO -0.01 0.18 -0.09 0.25 0.02 0.00 0.00 177.57 177.92 1rmj h LEU 11 N 0.73 -0.26 -0.40 2.57 7.12 0.11 1.31 115.31 126.48 1rmj h LEU 11 Ca 0.19 0.04 -0.04 0.00 0.13 0.00 0.00 57.88 58.20 1rmj h LEU 11 Cb 0.02 0.11 -0.02 0.00 -0.53 0.00 0.00 40.66 40.24 1rmj h LEU 11 CO -0.03 -0.14 0.10 1.56 -0.13 0.00 0.00 178.44 179.80 1rmj h GLN 12 N -0.17 0.64 -0.07 1.25 4.20 0.20 -3.14 115.11 118.02 1rmj h GLN 12 Ca 0.03 -0.15 -0.16 0.00 0.06 0.00 0.00 58.65 58.43 1rmj h GLN 12 Cb 0.20 -0.08 -0.01 0.00 0.30 0.00 0.00 27.48 27.89 1rmj h GLN 12 CO -0.08 0.66 -0.65 1.96 -0.67 0.00 0.00 178.83 180.05 1rmj h GLN 13 N 0.51 0.28 -0.81 1.46 4.20 0.11 -3.35 115.11 117.50 1rmj h GLN 13 Ca 0.13 -0.21 0.18 0.00 0.06 0.00 0.00 58.65 58.80 1rmj h GLN 13 Cb 0.31 0.04 -0.11 0.00 0.30 0.00 0.00 27.48 28.01 1rmj h GLN 13 CO 0.00 0.83 0.31 -0.07 -0.67 0.00 0.00 178.83 179.23 1rmj h LEU 14 N 0.20 0.24 -0.40 1.46 3.38 0.17 2.00 115.31 122.36 1rmj h LEU 14 Ca -0.01 0.13 -0.03 0.00 0.09 0.00 0.00 57.88 58.06 1rmj h LEU 14 Cb 1.18 0.13 -0.00 0.00 0.09 0.00 0.00 40.66 42.06 1rmj h LEU 14 CO 0.10 0.04 -0.15 0.06 0.09 0.00 0.00 178.44 178.58 1rmj h GLN 15 N 0.39 0.00 0.01 1.13 -0.00 -1.71 -3.28 115.11 111.65 1rmj h GLN 15 Ca 0.47 0.00 -0.35 0.00 -0.00 0.00 0.00 58.65 58.77 1rmj h GLN 15 Cb 0.81 0.00 -0.06 0.00 -0.00 0.00 0.00 27.48 28.22 1rmj h GLN 15 CO -0.48 0.15 -2.19 2.41 -0.00 0.00 0.00 178.83 178.71 1rmj n THR 16 N -3.17 1.48 -1.09 1.86 -1.04 -0.23 -4.28 114.28 107.81 1rmj n THR 16 Ca 0.02 -0.80 -0.22 0.00 -2.04 0.00 0.00 64.05 61.02 1rmj n THR 16 Cb 0.53 -0.80 0.03 0.00 -1.82 0.00 0.00 70.33 68.27 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 -2.93 2.08 -0.18 -2.82 -0.58 0.66 -4.62 120.64 112.25 1rmj n GLU 17 Ca -0.30 -2.03 0.26 0.00 -0.42 0.00 0.00 57.16 54.66 1rmj n GLU 17 Cb 1.11 -1.83 0.67 0.00 -0.57 0.00 0.00 31.44 30.81 1rmj n GLU 17 CO 0.00 0.00 0.00 0.28 -0.48 0.00 0.00 177.13 176.93 1rmj h VAL 18 N 1.19 0.59 -0.77 2.62 2.07 -1.74 0.90 116.25 121.11 1rmj h VAL 18 Ca 0.37 -0.04 0.14 0.00 0.82 0.00 0.00 66.70 68.00 1rmj h VAL 18 Cb 0.84 0.48 -0.10 0.00 -1.52 0.00 0.00 31.29 30.99 1rmj h VAL 18 CO 0.94 0.02 0.33 0.10 0.02 0.00 0.00 177.57 178.97 1rmj h TYR 19 N 0.11 0.56 0.02 1.57 -0.00 -1.92 1.34 116.97 118.65 1rmj h TYR 19 Ca 0.43 0.04 -0.17 0.00 -0.00 0.00 0.00 58.73 59.02 1rmj h TYR 19 Cb 1.52 -0.13 -0.02 0.00 -0.00 0.00 0.00 36.73 38.10 1rmj h TYR 19 CO -0.00 0.08 -0.92 0.00 -0.00 0.00 0.00 178.16 177.32 1rmj h ARG 20 N 0.47 0.05 -0.91 0.10 -0.00 -0.97 -3.31 114.38 109.80 1rmj h ARG 20 Ca 0.42 -0.08 0.12 0.00 -0.50 0.00 0.00 59.98 59.94 1rmj h ARG 20 Cb 0.64 0.03 -0.08 0.00 0.00 0.00 0.00 29.97 30.56 1rmj h ARG 20 CO -0.40 1.04 0.54 0.78 0.00 0.00 0.00 179.97 181.93 1rmj h GLY 21 N -0.78 1.48 1.91 0.04 0.00 0.12 1.38 103.07 107.21 1rmj h GLY 21 Ca -0.24 -0.35 -0.11 0.00 0.00 0.00 0.00 47.33 46.63 1rmj h GLY 21 CO -0.10 0.10 -0.46 0.00 0.00 0.00 0.00 176.54 176.08 1rmj h ALA 22 N 1.52 1.15 0.00 3.60 0.00 0.16 -2.30 119.26 123.39 1rmj h ALA 22 Ca 0.46 -0.43 -0.16 0.00 0.00 0.00 0.00 54.91 54.78 1rmj h ALA 22 Cb 0.50 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.18 1rmj h ALA 22 CO -0.28 0.60 -1.58 1.04 0.00 0.00 0.00 179.25 179.03 1rmj n GLN 23 N -3.99 0.24 -2.48 0.00 6.02 -0.47 -1.06 117.38 115.66 1rmj n GLN 23 Ca -0.02 0.07 -0.02 0.00 -0.01 0.00 0.00 57.00 57.02 1rmj n GLN 23 Cb 0.50 -1.11 0.10 0.00 1.02 0.00 0.00 30.24 30.75 1rmj n GLN 23 CO 0.00 0.00 0.00 -2.37 -1.01 0.00 0.00 177.06 173.68 1rmj n THR 24 N -2.99 0.00 -2.38 5.09 5.66 0.41 -4.05 114.28 116.01 1rmj n THR 24 Ca -0.19 -0.87 -0.42 0.00 -3.05 0.00 0.00 64.05 59.52 1rmj n THR 24 Cb 0.68 0.91 -0.03 0.00 -1.55 0.00 0.00 70.33 70.33 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 -3.30 4.35 0.17 1.09 0.20 0.24 -3.91 118.68 117.52 1rmj s LEU 25 Ca 0.09 2.03 -0.30 0.00 0.69 0.00 0.00 54.13 56.63 1rmj s LEU 25 Cb 0.36 -3.57 -0.08 0.00 -0.43 0.00 0.00 46.19 42.47 1rmj s LEU 25 CO -0.10 -0.53 1.17 -0.47 -0.29 0.00 0.00 176.35 176.13 1rmj s TYR 26 N 1.36 3.48 -0.21 5.38 5.04 -1.26 0.10 117.35 131.25 1rmj s TYR 26 Ca 0.59 1.47 0.02 0.00 -2.44 0.00 0.00 57.07 56.71 1rmj s TYR 26 Cb -0.30 -3.38 0.04 0.00 0.35 0.00 0.00 41.96 38.67 1rmj s TYR 26 CO 0.28 -1.02 -0.13 0.08 -1.34 0.00 0.00 175.55 173.42 1rmj s VAL 27 N -0.02 1.91 0.23 3.14 1.01 0.28 -4.88 120.40 122.06 1rmj s VAL 27 Ca 0.52 -1.17 -0.22 0.00 0.00 0.00 0.00 61.98 61.11 1rmj s VAL 27 Cb -0.31 -1.92 -0.08 0.00 0.00 0.00 0.00 36.38 34.06 1rmj s VAL 27 CO 0.35 0.22 0.78 -2.16 0.00 0.00 0.00 175.10 174.29 1rmj s PRO 28 N 1.28 4.40 -0.23 2.72 0.04 -1.26 -2.19 135.00 139.75 1rmj s PRO 28 Ca -0.02 1.04 -0.08 0.00 0.04 0.00 0.00 61.00 61.98 1rmj s PRO 28 Cb -0.16 -2.97 -0.04 0.00 0.04 0.00 0.00 34.50 31.37 1rmj s PRO 28 CO -0.09 0.42 0.10 1.21 0.04 0.00 0.00 177.00 178.68 1rmj s ASN 29 N -1.51 5.51 0.15 6.66 2.47 -0.39 -4.81 114.94 123.02 1rmj s ASN 29 Ca 0.42 -0.06 0.10 0.00 0.42 0.00 0.00 52.86 53.74 1rmj s ASN 29 Cb -0.19 -1.98 -0.04 0.00 -1.45 0.00 0.00 41.25 37.59 1rmj s ASN 29 CO 0.23 0.03 -0.21 0.00 -3.72 0.00 0.00 177.10 173.43 1rmj s ASP 31 N -2.36 5.19 0.63 0.00 2.15 -0.92 -4.75 116.67 116.61 1rmj s ASP 31 Ca 0.19 -0.76 0.24 0.00 0.43 0.00 0.00 52.55 52.64 1rmj s ASP 31 Cb -0.09 -0.09 1.23 0.00 -0.30 0.00 0.00 42.92 43.66 1rmj s ASP 31 CO 0.10 -1.04 1.69 0.45 -0.17 0.00 0.00 175.17 176.20 1rmj h HIS 32 N 0.52 0.00 -0.02 -5.34 3.86 -1.92 0.70 115.15 112.96 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 1.28 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.75 1rmj h HIS 32 CO 0.51 0.00 0.00 0.54 0.86 0.00 0.00 177.93 179.84 1rmj n ARG 33 N -3.14 1.09 -0.72 2.45 5.12 -1.26 0.12 116.66 120.32 1rmj n ARG 33 Ca 0.05 -0.13 0.00 0.00 -1.93 0.00 0.00 57.85 55.84 1rmj n ARG 33 Cb 0.72 -1.28 0.00 0.00 -1.16 0.00 0.00 32.46 30.74 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 0.81 0.35 3.95 -0.13 0.00 0.24 -4.12 105.19 106.29 1rmj n GLY 34 Ca 0.13 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.92 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 -2.03 3.14 -0.58 1.61 0.08 -1.26 0.43 117.98 119.37 1rmj s PHE 35 Ca 0.00 0.28 -0.27 0.00 0.12 0.00 0.00 56.93 57.06 1rmj s PHE 35 Cb 0.00 -2.53 -0.01 0.00 -0.57 0.00 0.00 43.02 39.91 1rmj s PHE 35 CO 0.00 -0.60 1.78 0.71 -0.10 0.00 0.00 175.22 177.01 1rmj s TYR 36 N -2.72 1.77 -0.03 0.36 2.02 0.62 -2.16 117.35 117.21 1rmj s TYR 36 Ca 0.52 0.70 -0.03 0.00 -0.37 0.00 0.00 57.07 57.89 1rmj s TYR 36 Cb -0.10 -4.15 -0.01 0.00 -0.40 0.00 0.00 41.96 37.29 1rmj s TYR 36 CO 0.40 -2.34 0.20 -0.09 -1.57 0.00 0.00 175.55 172.16 1rmj h ARG 37 N 14.10 -0.09 0.00 -0.62 2.43 -1.48 -2.85 114.38 125.88 1rmj h ARG 37 Ca -0.27 0.01 -0.35 0.00 -0.81 0.00 0.00 59.98 58.55 1rmj h ARG 37 Cb 1.15 0.02 -0.06 0.00 -0.42 0.00 0.00 29.97 30.66 1rmj h ARG 37 CO 1.20 -0.06 -2.24 1.17 -1.51 0.00 0.00 179.97 178.53 1rmj n LYS 38 N -3.19 0.50 -4.25 0.20 0.00 -1.25 -3.75 118.16 106.43 1rmj n LYS 38 Ca -0.01 0.17 -0.29 0.00 0.00 0.00 0.00 58.31 58.18 1rmj n LYS 38 Cb 0.04 -1.35 -0.10 0.00 0.00 0.00 0.00 35.03 33.61 1rmj n LYS 38 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.40 178.43 1rmj s ARG 39 N -2.42 2.03 -0.04 1.64 0.52 -1.26 0.84 118.95 120.26 1rmj s ARG 39 Ca -0.30 -1.10 -0.01 0.00 -0.52 0.00 0.00 55.73 53.79 1rmj s ARG 39 Cb 0.10 -2.23 0.03 0.00 0.52 0.00 0.00 34.95 33.37 1rmj s ARG 39 CO 0.43 0.49 0.02 -0.65 0.02 0.00 0.00 175.30 175.62 1rmj s GLN 40 N -2.30 0.23 0.00 3.54 -0.21 -1.10 -1.27 119.66 118.57 1rmj s GLN 40 Ca 0.21 0.20 -0.00 0.00 0.02 0.00 0.00 55.36 55.79 1rmj s GLN 40 Cb -0.11 -0.61 -0.00 0.00 1.00 0.00 0.00 33.01 33.29 1rmj s GLN 40 CO 0.13 -0.25 -0.00 0.00 -2.12 0.00 0.00 175.29 173.05 1rmj s ARG 42 N -0.28 4.15 0.09 0.00 1.81 -1.06 0.99 118.95 124.64 1rmj s ARG 42 Ca -0.03 0.62 0.07 0.00 -1.72 0.00 0.00 55.73 54.67 1rmj s ARG 42 Cb -0.02 -3.26 -0.03 0.00 -0.45 0.00 0.00 34.95 31.18 1rmj s ARG 42 CO -0.00 0.58 -0.19 -1.12 -0.68 0.00 0.00 175.30 173.88 1rmj s SER 43 N -0.82 2.28 0.11 0.23 0.01 0.29 -3.12 113.70 112.68 1rmj s SER 43 Ca 0.27 -0.64 0.03 0.00 1.31 0.00 0.00 55.95 56.92 1rmj s SER 43 Cb -0.18 -0.12 -0.04 0.00 0.21 0.00 0.00 66.02 65.89 1rmj s SER 43 CO 0.16 0.03 -0.09 -0.94 0.41 0.00 0.00 173.24 172.82 1rmj s SER 44 N -1.77 1.43 -0.16 2.44 1.04 -1.24 0.60 113.70 116.04 1rmj s SER 44 Ca 0.04 -0.93 -0.14 0.00 0.48 0.00 0.00 55.95 55.40 1rmj s SER 44 Cb -0.10 0.03 -0.10 0.00 0.10 0.00 0.00 66.02 65.95 1rmj s SER 44 CO 0.03 -0.35 0.08 -0.61 0.98 0.00 0.00 173.24 173.37 1rmj h GLN 45 N 3.15 0.00 0.21 4.02 -0.00 -0.49 -3.41 115.11 118.59 1rmj h GLN 45 Ca -0.36 0.00 -0.01 0.00 -0.00 0.00 0.00 58.65 58.28 1rmj h GLN 45 Cb 1.18 0.00 0.00 0.00 0.00 0.00 0.00 27.48 28.66 1rmj h GLN 45 CO 0.60 0.43 -0.10 0.78 0.00 0.00 0.00 178.83 180.53 1rmj h GLY 46 N -1.00 -0.30 -5.01 2.39 0.00 -1.89 -3.41 103.07 93.86 1rmj h GLY 46 Ca -0.11 0.11 -0.57 0.00 0.00 0.00 0.00 47.33 46.75 1rmj h GLY 46 CO -0.07 -0.11 0.77 1.62 0.00 0.00 0.00 176.54 178.75 1rmj s GLN 47 N -4.10 4.29 0.42 4.80 0.74 -1.26 -4.90 119.66 119.64 1rmj s GLN 47 Ca -0.14 1.43 0.22 0.00 0.05 0.00 0.00 55.36 56.93 1rmj s GLN 47 Cb 0.01 -3.64 0.30 0.00 1.10 0.00 0.00 33.01 30.79 1rmj s GLN 47 CO 0.53 -0.57 1.57 0.00 -0.55 0.00 0.00 175.29 176.26 1rmj h ARG 48 N 7.50 0.00 -6.25 1.67 2.47 -1.81 -3.33 114.38 114.64 1rmj h ARG 48 Ca -0.23 0.00 -0.56 0.00 -1.26 0.00 0.00 59.98 57.93 1rmj h ARG 48 Cb 1.09 0.00 -0.02 0.00 -1.65 0.00 0.00 29.97 29.39 1rmj h ARG 48 CO 0.95 0.04 1.09 1.03 0.56 0.00 0.00 179.97 183.64 1rmj s ARG 49 N -3.20 4.00 0.00 0.04 0.52 -1.26 -4.83 118.95 114.22 1rmj s ARG 49 Ca 0.06 1.91 0.00 0.00 -0.52 0.00 0.00 55.73 57.18 1rmj s ARG 49 Cb 0.05 -3.99 0.00 0.00 0.52 0.00 0.00 34.95 31.53 1rmj s ARG 49 CO 0.68 -1.04 0.61 0.41 0.02 0.00 0.00 175.30 175.98 1rmj n GLY 50 N 4.33 -3.22 3.91 -3.53 0.00 -1.26 -4.59 105.19 100.83 1rmj n GLY 50 Ca 0.18 0.39 -0.27 0.00 0.00 0.00 0.00 46.02 46.32 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 -1.45 3.58 0.22 1.61 0.04 -1.18 -3.91 135.00 133.91 1rmj s PRO 51 Ca 0.00 0.05 -0.04 0.00 0.04 0.00 0.00 61.00 61.05 1rmj s PRO 51 Cb 0.00 -2.52 -0.05 0.00 0.04 0.00 0.00 34.50 31.97 1rmj s PRO 51 CO 0.00 0.01 0.47 0.00 0.04 0.00 0.00 177.00 177.52 1rmj s TRP 53 N -1.90 0.38 0.30 0.00 -2.14 -0.97 -5.01 118.94 109.61 1rmj s TRP 53 Ca 0.42 -0.73 -0.28 0.00 2.66 0.00 0.00 56.10 58.17 1rmj s TRP 53 Cb -0.11 0.04 -0.09 0.00 -3.10 0.00 0.00 33.47 30.20 1rmj s TRP 53 CO 0.27 -0.83 1.00 0.00 -2.66 0.00 0.00 176.95 174.74 1rmj s VAL 55 N -1.38 0.05 0.60 0.00 -7.23 0.25 0.31 120.40 113.00 1rmj s VAL 55 Ca 0.47 -1.86 0.06 0.00 -1.81 0.00 0.00 61.98 58.85 1rmj s VAL 55 Cb -0.25 -2.20 0.09 0.00 0.56 0.00 0.00 36.38 34.58 1rmj s VAL 55 CO 0.31 -0.25 0.82 1.51 -0.31 0.00 0.00 175.10 177.19 1rmj s ASP 56 N -3.08 4.96 0.47 4.85 -4.77 -0.29 -4.32 116.67 114.49 1rmj s ASP 56 Ca 0.29 -0.64 0.24 0.00 -3.30 0.00 0.00 52.55 49.13 1rmj s ASP 56 Cb 0.06 0.07 1.26 0.00 -1.09 0.00 0.00 42.92 43.22 1rmj s ASP 56 CO 0.06 -1.41 1.86 0.08 0.70 0.00 0.00 175.17 176.46 1rmj h ARG 57 N 0.03 0.22 0.00 2.11 -0.00 -1.64 0.34 114.38 115.44 1rmj h ARG 57 Ca -0.33 -0.01 0.00 0.00 -0.00 0.00 0.00 59.98 59.64 1rmj h ARG 57 Cb 1.28 -0.05 0.00 0.00 -0.00 0.00 0.00 29.97 31.20 1rmj h ARG 57 CO 0.41 0.15 -0.39 1.98 -0.00 0.00 0.00 179.97 182.12 1rmj h MET 58 N 0.23 0.00 0.00 0.08 -1.53 -1.88 0.18 114.93 112.00 1rmj h MET 58 Ca 0.46 0.00 0.00 0.00 -3.44 0.00 0.00 59.70 56.72 1rmj h MET 58 Cb 1.42 0.00 0.00 0.00 -0.55 0.00 0.00 31.60 32.47 1rmj h MET 58 CO -0.11 0.00 0.00 0.41 0.14 0.00 0.00 176.91 177.35 1rmj n GLY 59 N 1.28 1.25 3.74 1.39 0.00 0.12 -4.81 105.19 108.17 1rmj n GLY 59 Ca 0.04 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.65 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 -0.44 4.47 -0.52 1.61 2.20 -1.26 -4.60 119.74 121.21 1rmj s LYS 60 Ca 0.00 1.94 -0.27 0.00 -0.36 0.00 0.00 55.97 57.28 1rmj s LYS 60 Cb 0.00 -3.21 -0.04 0.00 -1.51 0.00 0.00 37.83 33.07 1rmj s LYS 60 CO 0.00 -0.10 2.09 -1.12 -0.36 0.00 0.00 175.35 175.86 1rmj s SER 61 N -0.01 5.00 0.56 1.43 0.01 -1.26 -1.13 113.70 118.30 1rmj s SER 61 Ca 0.52 0.79 0.00 0.00 1.31 0.00 0.00 55.95 58.58 1rmj s SER 61 Cb -0.34 -2.52 0.03 0.00 0.21 0.00 0.00 66.02 63.40 1rmj s SER 61 CO 0.39 -2.50 0.79 -0.76 0.41 0.00 0.00 173.24 171.58 1rmj s LEU 62 N 10.08 3.26 0.00 2.44 1.43 0.15 -4.91 118.68 131.13 1rmj s LEU 62 Ca 0.82 0.09 0.00 0.00 -1.03 0.00 0.00 54.13 54.01 1rmj s LEU 62 Cb -0.16 -2.94 0.00 0.00 0.03 0.00 0.00 46.19 43.11 1rmj s LEU 62 CO 0.25 -1.14 0.00 -0.81 0.23 0.00 0.00 176.35 174.87 1rmj n PRO 63 N -2.38 0.00 0.00 1.29 -0.04 -1.26 -4.05 135.00 128.55 1rmj n PRO 63 Ca 0.07 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.53 1rmj n PRO 63 Cb 0.59 -0.03 0.00 0.00 -0.04 0.00 0.00 33.50 34.02 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 2.81 -1.16 3.78 0.55 0.00 -1.26 -4.57 105.19 105.35 1rmj n GLY 64 Ca 0.00 -1.40 -0.34 0.00 0.00 0.00 0.00 46.02 44.28 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 -1.76 5.68 0.00 1.61 0.01 0.18 -4.79 113.70 114.63 1rmj s SER 65 Ca 0.00 1.99 0.00 0.00 1.31 0.00 0.00 55.95 59.25 1rmj s SER 65 Cb 0.00 -2.56 0.00 0.00 0.21 0.00 0.00 66.02 63.67 1rmj s SER 65 CO 0.00 -1.24 0.34 -0.81 0.41 0.00 0.00 173.24 171.94 1rmj n PRO 66 N -1.74 0.59 0.20 12.44 -0.04 -1.26 -3.73 135.00 141.46 1rmj n PRO 66 Ca 0.10 0.00 0.09 0.00 -0.04 0.00 0.00 63.50 63.65 1rmj n PRO 66 Cb 0.52 -1.28 0.32 0.00 -0.04 0.00 0.00 33.50 33.02 1rmj n PRO 66 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 1rmj h ASP 67 N 0.46 0.00 0.00 3.54 3.32 -1.90 -3.47 116.42 118.37 1rmj h ASP 67 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1rmj h ASP 67 Cb 0.34 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.89 1rmj h ASP 67 CO 0.00 0.26 0.00 0.61 -1.72 0.00 0.00 179.24 178.39 1rmj n GLY 68 N 0.54 2.77 3.75 2.75 0.00 -1.24 -5.02 105.19 108.74 1rmj n GLY 68 Ca 0.01 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.70 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 0.45 4.68 0.08 1.61 3.84 -1.26 -4.74 114.94 119.61 1rmj s ASN 69 Ca 0.00 2.05 -0.23 0.00 0.21 0.00 0.00 52.86 54.89 1rmj s ASN 69 Cb 0.00 -2.55 -0.15 0.00 -0.55 0.00 0.00 41.25 37.99 1rmj s ASN 69 CO 0.00 -1.92 1.70 1.23 -2.79 0.00 0.00 177.10 175.32 1rmj h GLY 70 N -0.35 -0.02 0.33 1.21 0.00 -1.83 0.32 103.07 102.72 1rmj h GLY 70 Ca -0.46 0.01 0.11 0.00 0.00 0.00 0.00 47.33 46.99 1rmj h GLY 70 CO 0.52 -0.01 0.27 1.76 0.00 0.00 0.00 176.54 179.08 1rmj h SER 71 N -0.06 0.29 -0.01 0.19 0.02 -1.92 0.04 113.55 112.10 1rmj h SER 71 Ca -0.00 0.08 -0.06 0.00 -0.84 0.00 0.00 61.79 60.97 1rmj h SER 71 Cb 0.05 0.05 0.00 0.00 0.14 0.00 0.00 62.40 62.65 1rmj h SER 71 CO 0.00 0.15 -0.24 0.77 -1.14 0.00 0.00 176.83 176.37 1rmj h SER 72 N 0.46 0.23 0.00 3.07 4.64 -1.85 -3.42 113.55 116.68 1rmj h SER 72 Ca 0.35 -0.75 0.00 0.00 -0.47 0.00 0.00 61.79 60.91 1rmj h SER 72 Cb 0.45 -0.07 0.00 0.00 -0.31 0.00 0.00 62.40 62.47 1rmj h SER 72 CO -0.33 0.95 0.00 -1.54 -0.87 0.00 0.00 176.83 175.04 1rmj n SER 73 N -4.51 0.00 -3.75 4.97 3.41 0.11 0.52 113.62 114.37 1rmj n SER 73 Ca -0.10 0.00 -0.15 0.00 -0.26 0.00 0.00 58.87 58.37 1rmj n SER 73 Cb 0.49 0.00 -0.15 0.00 -0.26 0.00 0.00 64.21 64.29 1rmj n SER 73 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1rmj h PRO 75 N 7.45 0.24 0.00 0.00 0.13 -1.73 -3.31 132.00 134.78 1rmj h PRO 75 Ca -0.40 -0.41 0.00 0.00 -0.87 0.00 0.00 66.00 64.32 1rmj h PRO 75 Cb 1.13 0.15 0.00 0.00 0.13 0.00 0.00 31.00 32.41 1rmj h PRO 75 CO 0.41 1.20 0.00 -2.37 -0.23 0.00 0.00 178.00 177.00 1rmj n THR 76 N -3.62 0.00 -2.53 1.56 5.66 -1.25 -4.46 114.28 109.65 1rmj n THR 76 Ca -0.32 0.00 -0.03 0.00 -3.05 0.00 0.00 64.05 60.66 1rmj n THR 76 Cb 1.00 0.00 0.07 0.00 -1.55 0.00 0.00 70.33 69.85 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 0.00 1.61 3.72 1.09 0.00 -1.26 -4.06 105.19 106.29 1rmj n GLY 77 Ca 0.00 -0.29 -0.41 0.00 0.00 0.00 0.00 46.02 45.32 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 -1.52 7.24 -1.48 1.61 0.01 -1.26 -4.46 113.70 113.84 1rmj s SER 78 Ca 0.11 1.50 -0.12 0.00 1.31 0.00 0.00 55.95 58.74 1rmj s SER 78 Cb 0.33 -2.51 0.03 0.00 0.21 0.00 0.00 66.02 64.07 1rmj s SER 78 CO -0.09 -0.15 2.39 -1.20 0.41 0.00 0.00 173.24 174.60 1rmj n SER 79 N 3.58 5.53 0.00 2.44 7.64 -1.26 -5.13 113.62 126.42 1rmj n SER 79 Ca 0.02 -2.82 0.00 0.00 1.01 0.00 0.00 58.87 57.08 1rmj n SER 79 Cb 0.51 -1.60 0.00 0.00 -1.01 0.00 0.00 64.21 62.11 1rmj n SER 79 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64