#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 -0.29 0.07 1.43 4.02 -1.26 -5.02 117.16 116.12 1rmj n TYR -26 Ca 0.00 0.00 0.02 0.00 -0.01 0.00 0.00 57.90 57.91 1rmj n TYR -26 Cb 0.00 0.00 0.37 0.00 -0.02 0.00 0.00 39.34 39.69 1rmj n TYR -26 CO 0.00 0.00 0.00 1.88 -1.01 0.00 0.00 176.86 177.73 1rmj h TYR -25 N 0.78 0.37 -1.45 -0.72 -1.99 -2.08 -3.43 116.97 108.44 1rmj h TYR -25 Ca 0.00 -0.03 -0.44 0.00 2.00 0.00 0.00 58.73 60.26 1rmj h TYR -25 Cb 0.00 -0.11 0.01 0.00 2.00 0.00 0.00 36.73 38.63 1rmj h TYR -25 CO 0.00 0.41 -0.29 -3.38 -0.00 0.00 0.00 178.16 174.90 1rmj s HIS -24 N -4.88 2.76 0.00 4.88 -3.43 -1.26 -5.09 115.29 108.28 1rmj s HIS -24 Ca -0.06 -0.43 0.00 0.00 -0.80 0.00 0.00 55.06 53.77 1rmj s HIS -24 Cb 0.16 -2.32 0.00 0.00 -1.43 0.00 0.00 32.58 28.98 1rmj s HIS -24 CO 0.74 -0.35 0.00 1.58 -2.00 0.00 0.00 174.74 174.71 1rmj n HIS -23 N -1.78 0.00 0.03 0.38 -0.00 -1.26 -4.77 115.22 107.83 1rmj n HIS -23 Ca 0.07 0.00 0.01 0.00 0.46 0.00 0.00 57.72 58.25 1rmj n HIS -23 Cb 0.60 0.00 -0.08 0.00 -0.12 0.00 0.00 29.99 30.39 1rmj n HIS -23 CO 0.00 0.00 0.00 0.72 0.46 0.00 0.00 176.34 177.52 1rmj n HIS -22 N -2.30 0.97 0.00 1.57 8.25 -1.26 -4.95 115.22 117.50 1rmj n HIS -22 Ca 0.00 0.32 0.00 0.00 -0.26 0.00 0.00 57.72 57.78 1rmj n HIS -22 Cb 0.00 -1.08 0.00 0.00 1.12 0.00 0.00 29.99 30.03 1rmj n HIS -22 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56 1rmj n HIS -21 N -2.87 0.00 -3.09 4.41 -0.00 -1.26 -4.52 115.22 107.88 1rmj n HIS -21 Ca -0.09 0.00 -0.45 0.00 0.46 0.00 0.00 57.72 57.64 1rmj n HIS -21 Cb 0.83 0.00 -0.02 0.00 -0.12 0.00 0.00 29.99 30.67 1rmj n HIS -21 CO 0.00 0.00 0.00 -1.58 0.46 0.00 0.00 176.34 175.22 1rmj s HIS -20 N 0.00 3.43 -0.00 1.57 2.46 -1.26 -5.01 115.29 116.47 1rmj s HIS -20 Ca 0.00 -1.71 -0.30 0.00 0.47 0.00 0.00 55.06 53.52 1rmj s HIS -20 Cb 0.00 -4.10 -0.06 0.00 -0.13 0.00 0.00 32.58 28.29 1rmj s HIS -20 CO 0.00 -1.28 1.52 -1.58 -2.47 0.00 0.00 174.74 170.93 1rmj s HIS -19 N 1.53 2.54 0.00 3.88 2.46 -1.26 -5.00 115.29 119.44 1rmj s HIS -19 Ca 0.28 0.55 0.00 0.00 0.47 0.00 0.00 55.06 56.36 1rmj s HIS -19 Cb -0.07 -3.79 0.00 0.00 -0.13 0.00 0.00 32.58 28.59 1rmj s HIS -19 CO -0.09 -3.10 0.00 -3.47 -2.47 0.00 0.00 174.74 165.61 1rmj n ASP -18 N 5.89 0.00 -1.69 9.88 -0.08 -1.26 -5.11 116.55 124.18 1rmj n ASP -18 Ca 0.15 -0.80 0.00 0.00 -1.51 0.00 0.00 54.79 52.63 1rmj n ASP -18 Cb 0.43 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.89 1rmj n ASP -18 CO 0.00 0.00 0.00 -1.22 0.12 0.00 0.00 177.20 176.10 1rmj n TYR -17 N -1.32 0.00 -4.22 -0.67 4.01 -1.26 -5.10 117.16 108.60 1rmj n TYR -17 Ca 0.00 0.00 -0.21 0.00 -0.16 0.00 0.00 57.90 57.53 1rmj n TYR -17 Cb 0.00 0.00 -0.16 0.00 -0.31 0.00 0.00 39.34 38.87 1rmj n TYR -17 CO 0.00 0.00 0.00 0.34 -0.46 0.00 0.00 176.86 176.74 1rmj s ASP -16 N -1.00 1.21 0.30 7.72 2.15 -1.26 -5.13 116.67 120.66 1rmj s ASP -16 Ca 0.00 -0.17 -0.29 0.00 0.43 0.00 0.00 52.55 52.52 1rmj s ASP -16 Cb 0.00 -0.54 -0.09 0.00 -0.30 0.00 0.00 42.92 41.98 1rmj s ASP -16 CO 0.00 -0.05 1.08 -0.63 -0.17 0.00 0.00 175.17 175.40 1rmj s ILE -15 N 0.96 3.57 -0.46 4.11 1.01 -1.26 -4.93 121.20 124.20 1rmj s ILE -15 Ca -0.10 1.52 -0.27 0.00 0.00 0.00 0.00 60.65 61.80 1rmj s ILE -15 Cb -0.14 -3.94 -0.03 0.00 0.01 0.00 0.00 42.46 38.35 1rmj s ILE -15 CO 0.00 0.32 1.98 -2.16 0.00 0.00 0.00 174.94 175.08 1rmj s PRO -14 N -1.59 2.81 0.00 2.79 0.04 -1.26 -4.95 135.00 132.83 1rmj s PRO -14 Ca 0.46 1.17 0.00 0.00 0.04 0.00 0.00 61.00 62.67 1rmj s PRO -14 Cb -0.30 -4.36 0.00 0.00 0.04 0.00 0.00 34.50 29.88 1rmj s PRO -14 CO 0.38 -2.49 0.00 0.25 0.04 0.00 0.00 177.00 175.18 1rmj n THR -13 N 7.49 0.00 -0.01 1.26 -2.24 -1.26 -5.02 114.28 114.49 1rmj n THR -13 Ca 0.25 0.00 -0.01 0.00 -2.27 0.00 0.00 64.05 62.02 1rmj n THR -13 Cb 0.50 -0.58 -0.00 0.00 -2.10 0.00 0.00 70.33 68.14 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 -3.33 112.91 113.17 1rmj h THR -12 Ca 0.00 -0.76 0.00 0.00 -0.55 0.00 0.00 66.41 65.10 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 -4.29 0.11 0.00 4.72 4.71 -1.26 -2.30 120.64 122.33 1rmj n GLU -11 Ca -0.01 0.22 0.13 0.00 -0.01 0.00 0.00 57.16 57.50 1rmj n GLU -11 Cb 0.02 -1.50 0.45 0.00 -1.01 0.00 0.00 31.44 29.41 1rmj n GLU -11 CO 0.00 0.00 0.00 -1.71 0.09 0.00 0.00 177.13 175.51 1rmj n ASN -10 N -1.35 0.81 -0.13 1.62 5.15 -1.25 -4.07 115.26 116.05 1rmj n ASN -10 Ca 0.04 -0.74 0.11 0.00 -0.60 0.00 0.00 54.58 53.39 1rmj n ASN -10 Cb 0.10 0.06 0.45 0.00 -0.53 0.00 0.00 39.78 39.86 1rmj n ASN -10 CO 0.00 0.00 0.00 -0.07 1.40 0.00 0.00 177.26 178.59 1rmj h LEU -9 N 0.94 0.47 -1.20 1.20 -0.00 -1.60 0.44 115.31 115.57 1rmj h LEU -9 Ca 0.00 0.01 0.00 0.00 -0.00 0.00 0.00 57.88 57.89 1rmj h LEU -9 Cb 0.46 -0.09 0.00 0.00 -0.00 0.00 0.00 40.66 41.03 1rmj h LEU -9 CO 0.00 0.28 0.00 -1.22 -0.00 0.00 0.00 178.44 177.50 1rmj n TYR -8 N -4.48 0.26 0.00 1.13 4.01 -1.26 -4.21 117.16 112.61 1rmj n TYR -8 Ca 0.11 -0.13 0.00 0.00 -0.16 0.00 0.00 57.90 57.72 1rmj n TYR -8 Cb 0.36 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.39 1rmj n TYR -8 CO 0.00 0.00 0.00 1.19 -0.46 0.00 0.00 176.86 177.59 1rmj n PHE -7 N 0.41 0.00 -1.87 -0.72 3.01 0.23 -4.96 117.46 113.56 1rmj n PHE -7 Ca 0.16 0.00 -0.31 0.00 1.01 0.00 0.00 57.45 58.31 1rmj n PHE -7 Cb 0.34 0.00 -0.04 0.00 -0.01 0.00 0.00 39.48 39.77 1rmj n PHE -7 CO 0.00 0.00 0.00 1.14 1.01 0.00 0.00 176.76 178.91 1rmj s GLN -6 N -1.81 2.34 -0.66 -1.08 -2.07 0.13 -4.86 119.66 111.65 1rmj s GLN -6 Ca 0.00 0.52 -0.26 0.00 -1.82 0.00 0.00 55.36 53.80 1rmj s GLN -6 Cb 0.00 -4.67 -0.10 0.00 -1.09 0.00 0.00 33.01 27.15 1rmj s GLN -6 CO 0.00 -3.28 2.38 0.20 -1.32 0.00 0.00 175.29 173.27 1rmj s GLY -5 N 9.38 -0.60 0.00 2.60 0.00 -1.26 -4.77 107.32 112.66 1rmj s GLY -5 Ca 0.78 -0.45 0.00 0.00 0.00 0.00 0.00 44.72 45.05 1rmj s GLY -5 CO 0.14 4.15 0.37 0.00 0.00 0.00 0.00 173.10 177.77 1rmj n ALA -4 N 17.20 0.98 -2.72 3.20 0.00 -1.26 -4.80 120.51 133.11 1rmj n ALA -4 Ca 0.41 0.00 -0.22 0.00 0.00 0.00 0.00 53.44 53.63 1rmj n ALA -4 Cb 0.49 -1.99 -0.06 0.00 0.00 0.00 0.00 19.45 17.89 1rmj n ALA -4 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 1rmj s MET -3 N 2.55 2.63 -1.11 0.00 -1.94 -1.26 -4.75 119.30 115.43 1rmj s MET -3 Ca 0.00 -1.24 -0.07 0.00 -1.71 0.00 0.00 55.69 52.67 1rmj s MET -3 Cb 0.00 -2.37 -0.08 0.00 2.01 0.00 0.00 34.83 34.38 1rmj s MET -3 CO 0.00 0.36 2.55 0.41 -0.01 0.00 0.00 175.02 178.33 1rmj n GLY -2 N -1.07 3.52 4.10 -0.03 0.00 0.22 -4.63 105.19 107.30 1rmj n GLY -2 Ca -0.07 -1.12 -0.31 0.00 0.00 0.00 0.00 46.02 44.52 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 3.77 -0.19 -4.89 1.61 7.64 -1.26 -4.67 113.62 115.63 1rmj n SER -1 Ca 0.57 -1.10 -0.29 0.00 1.01 0.00 0.00 58.87 59.06 1rmj n SER -1 Cb 0.23 -1.38 0.07 0.00 -1.01 0.00 0.00 64.21 62.13 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 -3.67 1.61 0.10 0.23 0.00 -1.24 -4.96 107.32 99.38 1rmj s GLY 1 Ca 0.31 -0.52 -0.17 0.00 0.00 0.00 0.00 44.72 44.34 1rmj s GLY 1 CO 0.88 -0.07 1.53 -0.56 0.00 0.00 0.00 173.10 174.87 1rmj h PRO 2 N -0.91 0.54 -0.51 2.90 0.13 -1.82 -2.97 132.00 129.36 1rmj h PRO 2 Ca -0.46 -0.18 0.07 0.00 -0.87 0.00 0.00 66.00 64.56 1rmj h PRO 2 Cb 1.30 -0.05 -0.06 0.00 0.13 0.00 0.00 31.00 32.32 1rmj h PRO 2 CO 0.65 0.70 0.18 0.00 -0.23 0.00 0.00 178.00 179.29 1rmj h ARG 4 N 0.35 0.43 -0.41 0.00 1.12 -0.92 0.24 114.38 115.18 1rmj h ARG 4 Ca 0.25 -0.03 -0.12 0.00 -1.11 0.00 0.00 59.98 58.97 1rmj h ARG 4 Cb 0.27 -0.10 -0.01 0.00 -0.01 0.00 0.00 29.97 30.12 1rmj h ARG 4 CO -0.25 0.28 -0.21 0.00 -3.11 0.00 0.00 179.97 176.68 1rmj h ARG 5 N 0.44 0.87 -0.70 0.20 2.47 -1.07 -2.38 114.38 114.21 1rmj h ARG 5 Ca 0.27 -0.39 0.04 0.00 -1.26 0.00 0.00 59.98 58.65 1rmj h ARG 5 Cb 0.28 -0.02 -0.05 0.00 -1.65 0.00 0.00 29.97 28.52 1rmj h ARG 5 CO -0.24 1.03 0.42 1.25 0.56 0.00 0.00 179.97 182.99 1rmj h HIS 6 N 0.69 0.78 -0.79 3.04 2.76 0.14 -0.37 115.15 121.40 1rmj h HIS 6 Ca 0.09 0.02 -0.01 0.00 -2.20 0.00 0.00 60.37 58.27 1rmj h HIS 6 Cb 0.78 -0.25 -0.04 0.00 1.55 0.00 0.00 27.41 29.45 1rmj h HIS 6 CO 0.06 0.42 0.44 -0.07 -1.30 0.00 0.00 177.93 177.48 1rmj h LEU 7 N 0.80 0.97 -0.29 0.26 3.38 -0.39 0.75 115.31 120.80 1rmj h LEU 7 Ca 0.30 -0.08 0.00 0.00 0.09 0.00 0.00 57.88 58.19 1rmj h LEU 7 Cb 0.09 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.58 1rmj h LEU 7 CO -0.14 0.78 0.19 -0.78 0.09 0.00 0.00 178.44 178.57 1rmj h ASP 8 N 1.10 0.32 -0.17 -0.43 3.58 -0.60 0.69 116.42 120.92 1rmj h ASP 8 Ca 0.28 -0.01 -0.05 0.00 0.42 0.00 0.00 57.03 57.67 1rmj h ASP 8 Cb 0.01 -0.08 -0.00 0.00 1.72 0.00 0.00 39.33 40.98 1rmj h ASP 8 CO -0.05 0.23 -0.09 0.28 -2.88 0.00 0.00 179.24 176.73 1rmj h SER 9 N 0.38 0.37 -0.46 2.28 0.02 -0.51 -1.83 113.55 113.80 1rmj h SER 9 Ca 0.11 -0.42 0.01 0.00 -0.84 0.00 0.00 61.79 60.64 1rmj h SER 9 Cb -0.04 -0.10 -0.02 0.00 0.14 0.00 0.00 62.40 62.38 1rmj h SER 9 CO -0.03 0.71 0.30 0.58 -1.14 0.00 0.00 176.83 177.25 1rmj h VAL 10 N 0.02 1.11 -0.71 2.27 2.07 0.74 0.53 116.25 122.29 1rmj h VAL 10 Ca 0.04 -0.21 0.05 0.00 0.82 0.00 0.00 66.70 67.39 1rmj h VAL 10 Cb 0.58 0.44 -0.05 0.00 -1.52 0.00 0.00 31.29 30.74 1rmj h VAL 10 CO 0.03 0.11 0.42 0.25 0.02 0.00 0.00 177.57 178.40 1rmj h LEU 11 N 0.61 0.65 -0.16 2.57 5.85 0.45 0.93 115.31 126.23 1rmj h LEU 11 Ca 0.17 0.02 -0.08 0.00 0.84 0.00 0.00 57.88 58.83 1rmj h LEU 11 Cb -0.07 -0.12 -0.00 0.00 0.37 0.00 0.00 40.66 40.85 1rmj h LEU 11 CO -0.04 0.43 -0.21 1.56 -0.34 0.00 0.00 178.44 179.84 1rmj h GLN 12 N 0.79 0.42 -0.06 1.25 1.08 -0.51 -3.28 115.11 114.81 1rmj h GLN 12 Ca 0.31 -0.24 -0.05 0.00 -1.45 0.00 0.00 58.65 57.21 1rmj h GLN 12 Cb 0.13 0.02 0.00 0.00 -0.05 0.00 0.00 27.48 27.58 1rmj h GLN 12 CO -0.16 0.82 -0.17 1.96 -0.95 0.00 0.00 178.83 180.34 1rmj h GLN 13 N 0.05 0.21 -0.96 1.46 4.20 0.43 -3.29 115.11 117.22 1rmj h GLN 13 Ca 0.02 -0.15 0.20 0.00 0.06 0.00 0.00 58.65 58.78 1rmj h GLN 13 Cb 0.77 0.03 -0.08 0.00 0.30 0.00 0.00 27.48 28.50 1rmj h GLN 13 CO 0.05 0.78 0.61 1.25 -0.67 0.00 0.00 178.83 180.85 1rmj h LEU 14 N -0.31 0.56 -0.82 1.46 6.46 0.77 2.21 115.31 125.65 1rmj h LEU 14 Ca -0.01 0.07 -0.05 0.00 -0.12 0.00 0.00 57.88 57.77 1rmj h LEU 14 Cb 0.79 -0.04 -0.01 0.00 -0.73 0.00 0.00 40.66 40.68 1rmj h LEU 14 CO 0.04 0.21 -0.25 1.56 -0.62 0.00 0.00 178.44 179.38 1rmj h GLN 15 N 0.55 0.00 0.00 1.25 4.20 -1.64 -3.16 115.11 116.32 1rmj h GLN 15 Ca 0.52 0.00 -0.32 0.00 0.06 0.00 0.00 58.65 58.92 1rmj h GLN 15 Cb 1.09 0.00 -0.06 0.00 0.30 0.00 0.00 27.48 28.81 1rmj h GLN 15 CO -0.26 0.25 -2.19 2.41 -0.67 0.00 0.00 178.83 178.36 1rmj n THR 16 N -3.32 1.19 -1.46 -0.54 -1.04 0.25 -4.47 114.28 104.90 1rmj n THR 16 Ca 0.01 -0.61 -0.30 0.00 -2.04 0.00 0.00 64.05 61.11 1rmj n THR 16 Cb 0.49 -0.86 0.01 0.00 -1.82 0.00 0.00 70.33 68.15 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 -2.84 2.42 -0.24 -2.82 -0.58 0.72 -4.69 120.64 112.61 1rmj n GLU 17 Ca -0.32 -2.66 0.18 0.00 -0.42 0.00 0.00 57.16 53.94 1rmj n GLU 17 Cb 0.99 -2.10 0.49 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 1.63 0.70 -0.64 2.62 3.04 -1.75 0.13 116.25 121.99 1rmj h VAL 18 Ca 0.46 -0.15 0.17 0.00 -1.01 0.00 0.00 66.70 66.16 1rmj h VAL 18 Cb 0.59 0.22 -0.03 0.00 -2.01 0.00 0.00 31.29 30.06 1rmj h VAL 18 CO 1.12 0.08 0.45 0.10 -1.01 0.00 0.00 177.57 178.31 1rmj h TYR 19 N 0.44 0.13 0.01 3.17 -0.00 -1.90 1.85 116.97 120.68 1rmj h TYR 19 Ca 0.46 0.00 -0.21 0.00 -0.00 0.00 0.00 58.73 58.99 1rmj h TYR 19 Cb 1.10 -0.04 -0.03 0.00 -0.00 0.00 0.00 36.73 37.76 1rmj h TYR 19 CO -0.00 0.05 -1.11 0.00 -0.00 0.00 0.00 178.16 177.10 1rmj h ARG 20 N 0.11 0.03 -0.91 0.10 2.47 -1.19 -3.27 114.38 111.72 1rmj h ARG 20 Ca 0.31 -0.05 -0.01 0.00 -1.26 0.00 0.00 59.98 58.96 1rmj h ARG 20 Cb 1.06 0.02 -0.04 0.00 -1.65 0.00 0.00 29.97 29.36 1rmj h ARG 20 CO -0.04 1.03 0.53 0.78 0.56 0.00 0.00 179.97 182.83 1rmj h GLY 21 N -0.82 1.34 2.00 0.04 0.00 -0.29 0.72 103.07 106.06 1rmj h GLY 21 Ca -0.30 -0.58 0.00 0.00 0.00 0.00 0.00 47.33 46.45 1rmj h GLY 21 CO -0.15 0.56 0.00 0.00 0.00 0.00 0.00 176.54 176.96 1rmj h ALA 22 N 1.29 1.00 0.00 3.60 0.00 0.27 -2.74 119.26 122.68 1rmj h ALA 22 Ca 0.32 0.00 -0.10 0.00 0.00 0.00 0.00 54.91 55.14 1rmj h ALA 22 Cb -0.02 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 1rmj h ALA 22 CO -0.06 0.00 -1.03 0.94 0.00 0.00 0.00 179.25 179.11 1rmj n GLN 23 N -2.98 0.29 -2.19 0.00 0.00 -0.44 -1.28 117.38 110.78 1rmj n GLN 23 Ca 0.00 0.12 -0.02 0.00 -0.00 0.00 0.00 57.00 57.10 1rmj n GLN 23 Cb 0.27 -0.99 0.08 0.00 0.00 0.00 0.00 30.24 29.59 1rmj n GLN 23 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.06 174.69 1rmj n THR 24 N -3.86 0.00 -2.44 1.69 5.66 0.20 -3.17 114.28 112.35 1rmj n THR 24 Ca -0.16 -0.66 -0.41 0.00 -3.05 0.00 0.00 64.05 59.77 1rmj n THR 24 Cb 0.44 0.81 -0.04 0.00 -1.55 0.00 0.00 70.33 70.00 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 -2.73 4.48 0.18 1.09 0.20 0.17 -3.66 118.68 118.41 1rmj s LEU 25 Ca 0.06 2.18 -0.30 0.00 0.69 0.00 0.00 54.13 56.76 1rmj s LEU 25 Cb 0.30 -3.61 -0.08 0.00 -0.43 0.00 0.00 46.19 42.37 1rmj s LEU 25 CO -0.09 -0.28 1.14 -0.47 -0.29 0.00 0.00 176.35 176.36 1rmj s TYR 26 N -0.29 3.52 -0.17 5.38 5.04 -1.25 -0.41 117.35 129.17 1rmj s TYR 26 Ca 0.50 1.53 0.01 0.00 -2.44 0.00 0.00 57.07 56.67 1rmj s TYR 26 Cb -0.31 -3.34 0.02 0.00 0.35 0.00 0.00 41.96 38.68 1rmj s TYR 26 CO 0.37 -0.85 -0.20 0.08 -1.34 0.00 0.00 175.55 173.61 1rmj s VAL 27 N -0.14 2.02 0.28 3.14 1.01 0.23 -4.92 120.40 122.02 1rmj s VAL 27 Ca 0.51 -0.92 -0.21 0.00 0.00 0.00 0.00 61.98 61.36 1rmj s VAL 27 Cb -0.31 -1.81 -0.09 0.00 0.00 0.00 0.00 36.38 34.17 1rmj s VAL 27 CO 0.35 0.54 0.81 -2.16 0.00 0.00 0.00 175.10 174.64 1rmj s PRO 28 N 1.18 4.31 -0.22 2.72 0.04 -1.26 -2.43 135.00 139.34 1rmj s PRO 28 Ca 0.02 1.00 -0.04 0.00 0.04 0.00 0.00 61.00 62.01 1rmj s PRO 28 Cb -0.14 -2.74 -0.01 0.00 0.04 0.00 0.00 34.50 31.65 1rmj s PRO 28 CO -0.10 0.29 -0.02 1.21 0.04 0.00 0.00 177.00 178.42 1rmj s ASN 29 N -1.77 4.48 0.05 6.66 2.47 -0.71 -4.85 114.94 121.27 1rmj s ASN 29 Ca 0.48 -0.34 0.07 0.00 0.42 0.00 0.00 52.86 53.50 1rmj s ASN 29 Cb -0.16 -1.77 -0.03 0.00 -1.45 0.00 0.00 41.25 37.84 1rmj s ASN 29 CO 0.21 -0.01 -0.21 0.00 -3.72 0.00 0.00 177.10 173.37 1rmj s ASP 31 N -1.25 5.01 0.54 0.00 2.15 -1.18 -4.83 116.67 117.10 1rmj s ASP 31 Ca 0.07 -0.62 0.15 0.00 0.43 0.00 0.00 52.55 52.58 1rmj s ASP 31 Cb -0.09 0.02 0.79 0.00 -0.30 0.00 0.00 42.92 43.34 1rmj s ASP 31 CO 0.02 -1.37 1.39 0.45 -0.17 0.00 0.00 175.17 175.49 1rmj h HIS 32 N 0.07 0.00 -0.03 -5.34 3.86 -1.94 0.88 115.15 112.65 1rmj h HIS 32 Ca -0.34 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 58.87 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 0.27 0.00 0.00 0.54 0.86 0.00 0.00 177.93 179.60 1rmj n ARG 33 N -2.44 1.23 -0.66 2.45 5.12 -1.26 0.71 116.66 121.81 1rmj n ARG 33 Ca -0.01 -0.35 0.00 0.00 -1.93 0.00 0.00 57.85 55.56 1rmj n ARG 33 Cb 0.57 -1.41 0.00 0.00 -1.16 0.00 0.00 32.46 30.45 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 0.99 0.34 0.00 -0.13 0.00 0.30 -3.60 105.19 103.09 1rmj n GLY 34 Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.21 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 -2.00 -3.46 -3.19 1.61 3.72 -1.26 -0.43 117.46 112.45 1rmj n PHE 35 Ca 0.00 0.00 -0.46 0.00 -0.05 0.00 0.00 57.45 56.94 1rmj n PHE 35 Cb 0.00 0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 38.51 1rmj n PHE 35 CO 0.00 0.00 0.00 0.71 -0.05 0.00 0.00 176.76 177.42 1rmj s TYR 36 N -0.13 3.44 -0.05 1.38 1.51 -1.22 -3.13 117.35 119.15 1rmj s TYR 36 Ca 0.00 -1.62 -0.05 0.00 -1.01 0.00 0.00 57.07 54.39 1rmj s TYR 36 Cb 0.00 -3.97 -0.03 0.00 -0.11 0.00 0.00 41.96 37.85 1rmj s TYR 36 CO 0.00 -1.17 0.26 -0.09 -1.11 0.00 0.00 175.55 173.44 1rmj h ARG 37 N 8.36 -0.18 0.00 -0.62 2.43 -1.61 -2.98 114.38 119.79 1rmj h ARG 37 Ca 0.02 0.01 -0.41 0.00 -0.81 0.00 0.00 59.98 58.80 1rmj h ARG 37 Cb 1.05 0.04 -0.06 0.00 -0.42 0.00 0.00 29.97 30.58 1rmj h ARG 37 CO 0.92 -0.12 -2.26 1.17 -1.51 0.00 0.00 179.97 178.17 1rmj n LYS 38 N -4.20 0.58 -4.38 0.20 4.81 -1.26 -3.19 118.16 110.72 1rmj n LYS 38 Ca -0.02 0.32 -0.29 0.00 -0.87 0.00 0.00 58.31 57.45 1rmj n LYS 38 Cb 0.07 -1.54 -0.12 0.00 0.02 0.00 0.00 35.03 33.46 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 -2.49 1.48 -0.06 1.64 3.52 -1.26 -0.07 118.95 121.70 1rmj s ARG 39 Ca -0.37 -1.36 -0.01 0.00 -0.13 0.00 0.00 55.73 53.86 1rmj s ARG 39 Cb 0.13 -1.92 0.03 0.00 -1.56 0.00 0.00 34.95 31.63 1rmj s ARG 39 CO 0.51 0.44 0.02 -0.65 -0.81 0.00 0.00 175.30 174.80 1rmj s GLN 40 N -2.20 0.41 -0.03 5.12 -0.21 -0.98 -1.74 119.66 120.03 1rmj s GLN 40 Ca 0.16 0.17 -0.03 0.00 0.02 0.00 0.00 55.36 55.68 1rmj s GLN 40 Cb -0.10 -0.81 0.01 0.00 1.00 0.00 0.00 33.01 33.11 1rmj s GLN 40 CO 0.07 -0.29 0.08 0.00 -2.12 0.00 0.00 175.29 173.03 1rmj s ARG 42 N -0.08 4.12 0.15 0.00 1.81 -0.82 0.75 118.95 124.88 1rmj s ARG 42 Ca -0.01 0.19 0.06 0.00 -1.72 0.00 0.00 55.73 54.24 1rmj s ARG 42 Cb -0.01 -3.58 -0.04 0.00 -0.45 0.00 0.00 34.95 30.86 1rmj s ARG 42 CO 0.00 -0.15 -0.14 -1.12 -0.68 0.00 0.00 175.30 173.22 1rmj s SER 43 N 1.27 2.14 0.36 0.23 0.01 0.45 -2.79 113.70 115.37 1rmj s SER 43 Ca 0.18 -0.91 0.08 0.00 1.31 0.00 0.00 55.95 56.62 1rmj s SER 43 Cb -0.15 -0.08 -0.05 0.00 0.21 0.00 0.00 66.02 65.95 1rmj s SER 43 CO 0.09 -0.18 0.12 -0.94 0.41 0.00 0.00 173.24 172.74 1rmj s SER 44 N -2.82 4.49 0.08 2.44 1.04 -1.19 -0.76 113.70 116.97 1rmj s SER 44 Ca 0.14 -0.91 0.03 0.00 0.48 0.00 0.00 55.95 55.69 1rmj s SER 44 Cb -0.02 -0.61 -0.24 0.00 0.10 0.00 0.00 66.02 65.24 1rmj s SER 44 CO 0.04 -0.35 1.13 0.06 0.98 0.00 0.00 173.24 175.10 1rmj h GLN 45 N 1.58 0.11 -0.71 4.02 3.07 -0.86 -3.41 115.11 118.91 1rmj h GLN 45 Ca -0.43 -0.19 -0.32 0.00 0.09 0.00 0.00 58.65 57.79 1rmj h GLN 45 Cb 1.25 0.07 -0.26 0.00 0.08 0.00 0.00 27.48 28.62 1rmj h GLN 45 CO 0.66 1.04 -0.76 0.41 0.09 0.00 0.00 178.83 180.26 1rmj n GLY 46 N 1.46 1.73 3.21 0.06 0.00 -1.26 -5.08 105.19 105.31 1rmj n GLY 46 Ca -0.06 -0.71 -0.09 0.00 0.00 0.00 0.00 46.02 45.16 1rmj n GLY 46 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1rmj s GLN 47 N -1.10 0.86 0.20 1.61 -1.52 -1.26 -5.04 119.66 113.40 1rmj s GLN 47 Ca 0.28 -1.03 0.11 0.00 -1.95 0.00 0.00 55.36 52.77 1rmj s GLN 47 Cb 0.36 0.33 -0.07 0.00 -0.22 0.00 0.00 33.01 33.41 1rmj s GLN 47 CO -0.05 -0.27 1.34 0.00 -0.25 0.00 0.00 175.29 176.06 1rmj h ARG 48 N 2.77 0.00 -6.80 2.91 2.47 -1.98 -3.44 114.38 110.31 1rmj h ARG 48 Ca -0.34 0.00 -0.52 0.00 -1.26 0.00 0.00 59.98 57.86 1rmj h ARG 48 Cb 1.20 0.00 0.05 0.00 -1.65 0.00 0.00 29.97 29.57 1rmj h ARG 48 CO 0.56 0.73 0.66 -0.98 0.56 0.00 0.00 179.97 181.51 1rmj s ARG 49 N -2.84 4.35 0.00 0.04 1.70 -1.26 -4.92 118.95 116.03 1rmj s ARG 49 Ca 0.02 2.19 0.00 0.00 -0.47 0.00 0.00 55.73 57.47 1rmj s ARG 49 Cb 0.09 -3.11 0.00 0.00 -0.57 0.00 0.00 34.95 31.36 1rmj s ARG 49 CO 0.78 -0.24 0.00 0.41 -1.08 0.00 0.00 175.30 175.17 1rmj n GLY 50 N 1.50 0.21 3.92 3.88 0.00 -1.26 -3.92 105.19 109.52 1rmj n GLY 50 Ca 0.03 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.82 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 0.00 3.30 0.11 1.61 0.04 -1.12 -4.22 135.00 134.72 1rmj s PRO 51 Ca 0.00 -0.78 -0.12 0.00 0.04 0.00 0.00 61.00 60.14 1rmj s PRO 51 Cb 0.00 -2.83 -0.06 0.00 0.04 0.00 0.00 34.50 31.65 1rmj s PRO 51 CO 0.00 0.45 0.47 0.00 0.04 0.00 0.00 177.00 177.96 1rmj s TRP 53 N -1.41 -0.26 0.40 0.00 -2.14 -1.00 -5.00 118.94 109.53 1rmj s TRP 53 Ca 0.35 0.55 -0.22 0.00 2.66 0.00 0.00 56.10 59.43 1rmj s TRP 53 Cb -0.15 0.10 -0.11 0.00 -3.10 0.00 0.00 33.47 30.22 1rmj s TRP 53 CO 0.18 -0.28 0.95 0.00 -2.66 0.00 0.00 176.95 175.15 1rmj s VAL 55 N -2.01 0.25 0.65 0.00 -7.23 0.89 0.04 120.40 112.99 1rmj s VAL 55 Ca 0.59 -1.96 0.05 0.00 -1.81 0.00 0.00 61.98 58.85 1rmj s VAL 55 Cb -0.12 -2.26 0.11 0.00 0.56 0.00 0.00 36.38 34.67 1rmj s VAL 55 CO 0.17 -0.29 0.89 1.51 -0.31 0.00 0.00 175.10 177.07 1rmj s ASP 56 N -3.14 4.72 0.53 4.85 -4.77 -0.90 -4.14 116.67 113.82 1rmj s ASP 56 Ca 0.30 -0.68 0.38 0.00 -3.30 0.00 0.00 52.55 49.24 1rmj s ASP 56 Cb 0.07 0.25 1.55 0.00 -1.09 0.00 0.00 42.92 43.70 1rmj s ASP 56 CO 0.06 -1.62 1.74 0.03 0.70 0.00 0.00 175.17 176.09 1rmj h ARG 57 N -0.16 0.04 0.00 2.11 3.08 -1.65 1.04 114.38 118.84 1rmj h ARG 57 Ca -0.32 -0.00 -0.03 0.00 0.07 0.00 0.00 59.98 59.70 1rmj h ARG 57 Cb 1.28 -0.01 -0.00 0.00 0.08 0.00 0.00 29.97 31.32 1rmj h ARG 57 CO 0.40 0.02 -0.13 1.98 -1.07 0.00 0.00 179.97 181.17 1rmj h MET 58 N 0.04 0.00 0.00 0.04 1.85 -1.88 -3.23 114.93 111.74 1rmj h MET 58 Ca 0.66 0.00 0.00 0.00 -0.61 0.00 0.00 59.70 59.75 1rmj h MET 58 Cb 2.54 0.00 0.00 0.00 0.43 0.00 0.00 31.60 34.57 1rmj h MET 58 CO -0.06 0.13 0.00 0.41 -0.40 0.00 0.00 176.91 177.00 1rmj n GLY 59 N 0.73 0.47 3.80 1.39 0.00 0.36 -4.56 105.19 107.37 1rmj n GLY 59 Ca 0.02 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.70 1rmj n GLY 59 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1rmj s LYS 60 N -0.91 4.02 0.39 1.61 -2.85 -1.26 -4.67 119.74 116.07 1rmj s LYS 60 Ca 0.00 1.33 -0.27 0.00 -1.00 0.00 0.00 55.97 56.03 1rmj s LYS 60 Cb 0.00 -2.24 -0.10 0.00 -2.06 0.00 0.00 37.83 33.43 1rmj s LYS 60 CO 0.00 -0.23 1.44 -1.12 0.10 0.00 0.00 175.35 175.53 1rmj s SER 61 N -1.93 6.27 -1.08 0.03 0.01 -1.26 -2.13 113.70 113.61 1rmj s SER 61 Ca 0.63 2.95 -0.12 0.00 1.31 0.00 0.00 55.95 60.72 1rmj s SER 61 Cb -0.16 -2.66 0.23 0.00 0.21 0.00 0.00 66.02 63.64 1rmj s SER 61 CO 0.20 -0.91 1.15 -0.76 0.41 0.00 0.00 173.24 173.33 1rmj s LEU 62 N -2.25 5.94 -0.00 2.44 1.43 0.11 -4.85 118.68 121.50 1rmj s LEU 62 Ca 0.55 -3.17 -0.22 0.00 -1.03 0.00 0.00 54.13 50.26 1rmj s LEU 62 Cb -0.44 -2.28 -0.20 0.00 0.03 0.00 0.00 46.19 43.30 1rmj s LEU 62 CO 0.59 -0.52 1.18 1.55 0.23 0.00 0.00 176.35 179.38 1rmj h PRO 63 N 7.15 0.28 0.00 1.29 0.13 -1.87 -3.45 132.00 135.53 1rmj h PRO 63 Ca 0.20 -0.22 0.00 0.00 -0.87 0.00 0.00 66.00 65.11 1rmj h PRO 63 Cb 0.91 0.04 0.00 0.00 0.13 0.00 0.00 31.00 32.09 1rmj h PRO 63 CO 1.05 0.86 0.00 0.41 -0.23 0.00 0.00 178.00 180.09 1rmj n GLY 64 N 0.67 0.00 3.52 1.56 0.00 -1.26 -4.80 105.19 104.88 1rmj n GLY 64 Ca -0.08 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.60 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 4.67 0.00 1.61 0.01 -1.26 -4.98 113.70 113.75 1rmj s SER 65 Ca 0.00 -0.10 0.15 0.00 1.31 0.00 0.00 55.95 57.30 1rmj s SER 65 Cb 0.00 -1.54 0.69 0.00 0.21 0.00 0.00 66.02 65.38 1rmj s SER 65 CO 0.00 0.24 1.43 -0.81 0.41 0.00 0.00 173.24 174.51 1rmj n PRO 66 N 3.03 0.13 0.29 12.44 -0.04 -1.26 -2.45 135.00 147.14 1rmj n PRO 66 Ca -0.18 0.19 0.18 0.00 -0.04 0.00 0.00 63.50 63.65 1rmj n PRO 66 Cb 0.53 -1.50 0.77 0.00 -0.04 0.00 0.00 33.50 33.25 1rmj n PRO 66 CO 0.00 0.00 0.00 0.22 -0.04 0.00 0.00 175.50 175.68 1rmj h ASP 67 N 0.00 0.00 -1.19 3.54 3.58 -2.03 -2.85 116.42 117.46 1rmj h ASP 67 Ca 0.00 0.00 -0.66 0.00 0.42 0.00 0.00 57.03 56.79 1rmj h ASP 67 Cb 0.18 0.00 -0.33 0.00 1.72 0.00 0.00 39.33 40.90 1rmj h ASP 67 CO 0.00 0.00 0.35 0.61 -2.88 0.00 0.00 179.24 177.32 1rmj n GLY 68 N -0.13 5.95 2.33 -0.78 0.00 -1.02 -4.84 105.19 106.69 1rmj n GLY 68 Ca 0.00 -2.48 -0.36 0.00 0.00 0.00 0.00 46.02 43.18 1rmj n GLY 68 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1rmj n ASN 69 N -0.75 8.28 -3.90 1.61 5.15 -1.08 -4.71 115.26 119.86 1rmj n ASN 69 Ca 0.54 -2.54 -0.29 0.00 -0.60 0.00 0.00 54.58 51.69 1rmj n ASN 69 Cb 0.65 -1.51 -0.13 0.00 -0.53 0.00 0.00 39.78 38.27 1rmj n ASN 69 CO 0.00 0.00 0.00 -0.83 1.40 0.00 0.00 177.26 177.83 1rmj s GLY 70 N 2.29 2.70 0.28 8.20 0.00 -1.26 -4.94 107.32 114.59 1rmj s GLY 70 Ca 0.67 -3.58 0.02 0.00 0.00 0.00 0.00 44.72 41.83 1rmj s GLY 70 CO -0.06 1.09 1.81 1.76 0.00 0.00 0.00 173.10 177.70 1rmj h SER 71 N 5.83 0.83 -0.95 1.64 0.02 -1.85 0.33 113.55 119.41 1rmj h SER 71 Ca 0.06 0.07 0.12 0.00 -0.84 0.00 0.00 61.79 61.20 1rmj h SER 71 Cb 0.81 -0.09 -0.08 0.00 0.14 0.00 0.00 62.40 63.18 1rmj h SER 71 CO 0.69 0.39 0.58 0.28 -1.14 0.00 0.00 176.83 177.63 1rmj h SER 72 N 0.87 0.84 0.13 3.07 0.02 -1.99 -2.90 113.55 113.59 1rmj h SER 72 Ca 0.52 0.05 -0.01 0.00 -0.84 0.00 0.00 61.79 61.51 1rmj h SER 72 Cb 0.63 -0.11 0.00 0.00 0.14 0.00 0.00 62.40 63.06 1rmj h SER 72 CO -0.31 0.44 -0.06 0.28 -1.14 0.00 0.00 176.83 176.04 1rmj h SER 73 N 0.92 -0.15 -3.37 3.07 0.02 -1.00 -3.47 113.55 109.56 1rmj h SER 73 Ca 0.47 0.01 -0.15 0.00 -0.84 0.00 0.00 61.79 61.28 1rmj h SER 73 Cb 0.48 0.04 -0.27 0.00 0.14 0.00 0.00 62.40 62.79 1rmj h SER 73 CO -0.27 0.17 -0.36 0.00 -1.14 0.00 0.00 176.83 175.22 1rmj h PRO 75 N 6.89 0.25 -2.75 0.00 0.13 -1.78 -3.33 132.00 131.41 1rmj h PRO 75 Ca -0.36 -0.43 -0.15 0.00 -0.87 0.00 0.00 66.00 64.18 1rmj h PRO 75 Cb 1.18 0.16 -0.02 0.00 0.13 0.00 0.00 31.00 32.44 1rmj h PRO 75 CO 0.32 1.16 0.63 0.25 -0.23 0.00 0.00 178.00 180.14 1rmj n THR 76 N -3.45 1.63 -0.02 1.56 -2.24 -1.26 -4.23 114.28 106.26 1rmj n THR 76 Ca -0.30 -0.87 -0.15 0.00 -2.27 0.00 0.00 64.05 60.46 1rmj n THR 76 Cb 1.05 -1.82 -0.11 0.00 -2.10 0.00 0.00 70.33 67.35 1rmj n THR 76 CO 0.00 0.00 0.00 1.23 -0.57 0.00 0.00 175.07 175.73 1rmj h GLY 77 N 6.24 0.24 0.00 3.38 0.00 -1.87 -3.48 103.07 107.58 1rmj h GLY 77 Ca 0.18 -0.42 0.00 0.00 0.00 0.00 0.00 47.33 47.09 1rmj h GLY 77 CO 0.61 0.37 0.00 1.44 0.00 0.00 0.00 176.54 178.96 1rmj n SER 78 N -4.46 0.00 -3.62 0.19 7.64 -1.26 -4.27 113.62 107.84 1rmj n SER 78 Ca -0.10 0.00 -0.41 0.00 1.01 0.00 0.00 58.87 59.37 1rmj n SER 78 Cb 0.53 0.00 -0.02 0.00 -1.01 0.00 0.00 64.21 63.71 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 0.00 4.15 0.00 6.43 7.64 -1.26 -5.11 113.62 125.47 1rmj n SER 79 Ca 0.00 -2.74 0.00 0.00 1.01 0.00 0.00 58.87 57.14 1rmj n SER 79 Cb 0.00 -1.48 0.00 0.00 -1.01 0.00 0.00 64.21 61.72 1rmj n SER 79 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64