#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 -1.40 7.33 4.11 -1.26 -5.01 117.16 120.93 1rmj n TYR -26 Ca 0.00 0.00 -0.39 0.00 -0.00 0.00 0.00 57.90 57.51 1rmj n TYR -26 Cb 0.00 0.00 -0.06 0.00 -0.00 0.00 0.00 39.34 39.28 1rmj n TYR -26 CO 0.00 0.00 0.00 0.98 -0.00 0.00 0.00 176.86 177.84 1rmj n TYR -25 N 0.00 2.06 -2.52 -3.48 9.36 -1.26 -4.12 117.16 117.20 1rmj n TYR -25 Ca 0.00 -1.65 -0.03 0.00 3.32 0.00 0.00 57.90 59.54 1rmj n TYR -25 Cb 0.00 -1.94 0.07 0.00 -0.63 0.00 0.00 39.34 36.84 1rmj n TYR -25 CO 0.00 0.00 0.00 1.58 0.22 0.00 0.00 176.86 178.66 1rmj n HIS -24 N 9.59 -1.13 -0.08 2.98 -0.00 -1.26 -5.06 115.22 120.25 1rmj n HIS -24 Ca 0.48 -1.42 0.00 0.00 0.46 0.00 0.00 57.72 57.24 1rmj n HIS -24 Cb 0.42 1.05 0.00 0.00 -0.12 0.00 0.00 29.99 31.34 1rmj n HIS -24 CO 0.00 0.00 0.00 0.72 0.46 0.00 0.00 176.34 177.52 1rmj n HIS -23 N -0.99 0.00 0.19 1.57 8.25 -1.26 -4.82 115.22 118.15 1rmj n HIS -23 Ca -0.17 0.00 0.18 0.00 -0.26 0.00 0.00 57.72 57.47 1rmj n HIS -23 Cb 0.84 0.00 0.82 0.00 1.12 0.00 0.00 29.99 32.76 1rmj n HIS -23 CO 0.00 0.00 0.00 1.12 0.64 0.00 0.00 176.34 178.10 1rmj h HIS -22 N 0.00 0.00 -0.07 4.41 2.07 -2.00 -3.47 115.15 116.10 1rmj h HIS -22 Ca 0.00 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.52 1rmj h HIS -22 Cb 0.00 0.00 0.00 0.00 2.57 0.00 0.00 27.41 29.98 1rmj h HIS -22 CO 0.00 0.00 0.00 0.72 -3.07 0.00 0.00 177.93 175.58 1rmj n HIS -21 N -3.68 -0.07 -1.37 6.12 -0.00 -1.26 -2.64 115.22 112.32 1rmj n HIS -21 Ca 0.03 0.00 -0.42 0.00 -0.00 0.00 0.00 57.72 57.33 1rmj n HIS -21 Cb 0.41 0.07 -0.03 0.00 -0.00 0.00 0.00 29.99 30.44 1rmj n HIS -21 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06 1rmj n HIS -20 N 0.00 2.55 -1.20 4.41 8.25 -1.26 -4.81 115.22 123.16 1rmj n HIS -20 Ca 0.00 -2.35 -0.42 0.00 -0.26 0.00 0.00 57.72 54.69 1rmj n HIS -20 Cb 0.00 -2.08 -0.05 0.00 1.12 0.00 0.00 29.99 28.98 1rmj n HIS -20 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56 1rmj n HIS -19 N 6.59 2.04 -1.89 4.41 -0.00 -1.08 -4.87 115.22 120.41 1rmj n HIS -19 Ca 0.51 -1.95 -0.26 0.00 0.46 0.00 0.00 57.72 56.49 1rmj n HIS -19 Cb 0.38 -1.80 -0.05 0.00 -0.12 0.00 0.00 29.99 28.39 1rmj n HIS -19 CO 0.00 0.00 0.00 0.34 0.46 0.00 0.00 176.34 177.14 1rmj s ASP -18 N 4.71 4.78 0.00 0.26 -1.08 -1.26 -4.55 116.67 119.53 1rmj s ASP -18 Ca 0.55 -0.22 0.00 0.00 -0.52 0.00 0.00 52.55 52.37 1rmj s ASP -18 Cb 0.14 -2.55 0.00 0.00 -1.46 0.00 0.00 42.92 39.05 1rmj s ASP -18 CO 0.09 -3.00 0.86 0.00 0.52 0.00 0.00 175.17 173.65 1rmj n TYR -17 N 15.16 0.00 0.14 -5.34 4.19 -1.26 -4.86 117.16 125.19 1rmj n TYR -17 Ca 0.39 0.00 -0.02 0.00 3.31 0.00 0.00 57.90 61.58 1rmj n TYR -17 Cb 0.47 -0.03 0.14 0.00 0.49 0.00 0.00 39.34 40.41 1rmj n TYR -17 CO 0.00 0.00 0.00 -0.25 0.91 0.00 0.00 176.86 177.52 1rmj n ASP -16 N 0.00 3.13 -4.24 2.98 8.00 -1.26 -4.82 116.55 120.33 1rmj n ASP -16 Ca 0.00 -2.50 -0.29 0.00 0.71 0.00 0.00 54.79 52.70 1rmj n ASP -16 Cb 0.65 -0.60 -0.16 0.00 -0.02 0.00 0.00 41.12 40.98 1rmj n ASP -16 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1rmj s ILE -15 N -1.61 1.84 -0.06 0.53 -1.09 -1.26 -5.08 121.20 114.46 1rmj s ILE -15 Ca 0.23 -0.97 -0.30 0.00 -2.23 0.00 0.00 60.65 57.39 1rmj s ILE -15 Cb 0.19 -1.54 -0.06 0.00 -1.58 0.00 0.00 42.46 39.46 1rmj s ILE -15 CO 0.06 0.52 1.78 -2.16 -1.23 0.00 0.00 174.94 173.91 1rmj s PRO -14 N -0.31 4.04 -0.49 2.79 0.04 -1.26 -4.83 135.00 134.98 1rmj s PRO -14 Ca 0.02 2.22 -0.45 0.00 0.04 0.00 0.00 61.00 62.84 1rmj s PRO -14 Cb -0.11 -4.07 -0.19 0.00 0.04 0.00 0.00 34.50 30.17 1rmj s PRO -14 CO 0.01 -1.03 1.94 0.25 0.04 0.00 0.00 177.00 178.21 1rmj n THR -13 N 5.80 0.01 -0.03 1.26 -2.24 -1.26 -4.83 114.28 112.99 1rmj n THR -13 Ca 0.19 -0.01 -0.13 0.00 -2.27 0.00 0.00 64.05 61.83 1rmj n THR -13 Cb 0.43 -0.55 -0.11 0.00 -2.10 0.00 0.00 70.33 68.00 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 6.25 1.46 0.00 4.28 1.35 -2.06 -3.14 112.91 121.04 1rmj h THR -12 Ca -0.24 -1.70 0.00 0.00 -0.55 0.00 0.00 66.41 63.93 1rmj h THR -12 Cb 1.40 2.57 0.00 0.00 -1.73 0.00 0.00 68.15 70.39 1rmj h THR -12 CO 1.05 0.42 0.00 -0.62 -0.25 0.00 0.00 175.52 176.12 1rmj n GLU -11 N -4.75 0.79 -0.30 4.72 1.02 -1.26 -3.96 120.64 116.89 1rmj n GLU -11 Ca -0.09 0.00 0.02 0.00 -0.02 0.00 0.00 57.16 57.08 1rmj n GLU -11 Cb 0.35 -1.21 0.22 0.00 -0.02 0.00 0.00 31.44 30.78 1rmj n GLU -11 CO 0.00 0.00 0.00 -0.97 1.18 0.00 0.00 177.13 177.34 1rmj h ASN -10 N 0.11 0.94 0.56 1.62 -1.24 -1.92 0.12 115.58 115.78 1rmj h ASN -10 Ca 0.00 -0.00 -0.14 0.00 0.71 0.00 0.00 56.30 56.87 1rmj h ASN -10 Cb 0.21 -0.21 -0.02 0.00 0.73 0.00 0.00 38.32 39.03 1rmj h ASN -10 CO 0.00 0.63 -0.62 -0.07 -1.29 0.00 0.00 177.43 176.08 1rmj h LEU -9 N 1.09 0.07 -0.44 0.34 3.38 -1.84 -2.83 115.31 115.07 1rmj h LEU -9 Ca 0.37 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.30 1rmj h LEU -9 Cb 0.08 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 40.81 1rmj h LEU -9 CO -0.12 0.67 -0.02 -1.22 0.09 0.00 0.00 178.44 177.85 1rmj n TYR -8 N -3.81 0.00 -0.15 1.13 4.01 -0.14 -2.63 117.16 115.57 1rmj n TYR -8 Ca -0.01 0.00 -0.07 0.00 -0.16 0.00 0.00 57.90 57.65 1rmj n TYR -8 Cb 0.62 -0.02 0.01 0.00 -0.31 0.00 0.00 39.34 39.64 1rmj n TYR -8 CO 0.00 0.00 0.00 0.74 -0.46 0.00 0.00 176.86 177.14 1rmj h PHE -7 N 1.08 0.55 -0.00 -0.72 -1.00 -0.83 -1.73 116.94 114.29 1rmj h PHE -7 Ca 0.00 0.01 -0.00 0.00 2.81 0.00 0.00 57.97 60.79 1rmj h PHE -7 Cb 0.26 -0.18 -0.00 0.00 3.61 0.00 0.00 35.95 39.64 1rmj h PHE -7 CO 0.00 0.34 -0.02 0.00 -1.61 0.00 0.00 178.31 177.02 1rmj n GLN -6 N -4.79 1.32 -0.00 1.51 10.64 -1.25 -4.62 117.38 120.19 1rmj n GLN -6 Ca 0.02 -2.61 0.00 0.00 -1.83 0.00 0.00 57.00 52.58 1rmj n GLN -6 Cb 0.03 -1.51 -0.01 0.00 -0.86 0.00 0.00 30.24 27.89 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 -1.41 -0.06 0.30 2.61 0.00 -1.08 -4.70 105.19 100.85 1rmj n GLY -5 Ca 0.16 -0.03 0.18 0.00 0.00 0.00 0.00 46.02 46.33 1rmj n GLY -5 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1rmj h ALA -4 N 0.10 1.10 -1.95 4.61 0.00 -1.55 -3.43 119.26 118.14 1rmj h ALA -4 Ca -0.01 -0.03 -0.43 0.00 0.00 0.00 0.00 54.91 54.44 1rmj h ALA -4 Cb 0.26 -0.01 0.22 0.00 0.00 0.00 0.00 17.79 18.27 1rmj h ALA -4 CO 0.00 0.05 -0.37 0.00 0.00 0.00 0.00 179.25 178.93 1rmj n MET -3 N -3.27 -2.53 -0.52 0.00 0.00 -1.26 -4.74 117.12 104.80 1rmj n MET -3 Ca -0.02 -0.72 -0.06 0.00 0.00 0.00 0.00 57.70 56.91 1rmj n MET -3 Cb 0.19 -1.98 -0.08 0.00 0.00 0.00 0.00 33.22 31.35 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 1.46 2.05 5.14 3.17 0.00 0.25 -4.75 105.19 112.50 1rmj n GLY -2 Ca 0.02 -0.58 0.00 0.00 0.00 0.00 0.00 46.02 45.46 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 2.56 0.00 -1.46 1.61 7.64 -1.26 -4.48 113.62 118.23 1rmj n SER -1 Ca 0.21 0.00 0.20 0.00 1.01 0.00 0.00 58.87 60.28 1rmj n SER -1 Cb 0.48 0.00 -0.05 0.00 -1.01 0.00 0.00 64.21 63.63 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 -2.05 0.18 0.23 0.00 -1.26 -2.07 105.19 100.22 1rmj n GLY 1 Ca 0.00 -1.13 0.06 0.00 0.00 0.00 0.00 46.02 44.95 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 -1.36 0.00 0.00 1.61 0.13 -1.83 -2.95 132.00 127.60 1rmj h PRO 2 Ca 0.00 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 65.10 1rmj h PRO 2 Cb 1.35 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.47 1rmj h PRO 2 CO 0.02 0.37 -0.27 0.00 -0.23 0.00 0.00 178.00 177.89 1rmj h ARG 4 N -1.00 1.22 -0.97 0.00 9.65 -0.68 0.27 114.38 122.87 1rmj h ARG 4 Ca -0.05 -0.13 0.00 0.00 -1.10 0.00 0.00 59.98 58.70 1rmj h ARG 4 Cb 0.62 -0.24 -0.05 0.00 -1.39 0.00 0.00 29.97 28.91 1rmj h ARG 4 CO -0.03 0.88 0.61 0.00 2.80 0.00 0.00 179.97 184.22 1rmj h ARG 5 N 1.22 1.30 -0.70 0.20 2.47 -1.29 0.24 114.38 117.82 1rmj h ARG 5 Ca 0.31 -0.10 -0.02 0.00 -1.26 0.00 0.00 59.98 58.91 1rmj h ARG 5 Cb -0.00 -0.28 -0.03 0.00 -1.65 0.00 0.00 29.97 28.01 1rmj h ARG 5 CO -0.05 0.89 0.35 1.25 0.56 0.00 0.00 179.97 182.96 1rmj h HIS 6 N 1.32 0.99 -0.92 3.04 2.76 -1.05 -1.35 115.15 119.95 1rmj h HIS 6 Ca 0.35 -0.04 0.06 0.00 -2.20 0.00 0.00 60.37 58.54 1rmj h HIS 6 Cb -0.10 -0.31 -0.06 0.00 1.55 0.00 0.00 27.41 28.50 1rmj h HIS 6 CO 0.00 0.73 0.60 -0.07 -1.30 0.00 0.00 177.93 177.89 1rmj h LEU 7 N 0.97 0.93 -0.42 0.26 3.38 0.13 0.97 115.31 121.53 1rmj h LEU 7 Ca 0.24 0.00 0.05 0.00 0.09 0.00 0.00 57.88 58.26 1rmj h LEU 7 Cb 0.10 -0.20 -0.04 0.00 0.09 0.00 0.00 40.66 40.61 1rmj h LEU 7 CO -0.03 0.60 0.16 0.44 0.09 0.00 0.00 178.44 179.70 1rmj h ASP 8 N 1.06 0.18 -0.21 -0.43 3.32 0.11 1.66 116.42 122.11 1rmj h ASP 8 Ca 0.39 0.04 -0.08 0.00 0.02 0.00 0.00 57.03 57.40 1rmj h ASP 8 Cb 0.17 0.02 -0.00 0.00 0.22 0.00 0.00 39.33 39.74 1rmj h ASP 8 CO -0.14 0.14 -0.18 0.28 -1.72 0.00 0.00 179.24 177.62 1rmj h SER 9 N 0.33 0.53 -1.01 6.45 0.02 -0.78 -2.21 113.55 116.89 1rmj h SER 9 Ca 0.19 -0.46 0.03 0.00 -0.84 0.00 0.00 61.79 60.71 1rmj h SER 9 Cb 0.16 -0.15 -0.06 0.00 0.14 0.00 0.00 62.40 62.50 1rmj h SER 9 CO -0.18 0.88 0.66 0.58 -1.14 0.00 0.00 176.83 177.63 1rmj h VAL 10 N 0.19 1.20 -0.18 2.27 2.07 0.17 1.33 116.25 123.29 1rmj h VAL 10 Ca 0.04 -0.45 0.02 0.00 0.82 0.00 0.00 66.70 67.13 1rmj h VAL 10 Cb 0.72 -0.22 -0.02 0.00 -1.52 0.00 0.00 31.29 30.25 1rmj h VAL 10 CO 0.05 0.24 0.04 0.25 0.02 0.00 0.00 177.57 178.17 1rmj h LEU 11 N 1.31 0.03 -0.62 2.57 5.85 0.26 1.39 115.31 126.09 1rmj h LEU 11 Ca 0.39 0.02 -0.15 0.00 0.84 0.00 0.00 57.88 58.99 1rmj h LEU 11 Cb -0.05 0.03 -0.01 0.00 0.37 0.00 0.00 40.66 41.00 1rmj h LEU 11 CO -0.11 0.04 -0.51 1.56 -0.34 0.00 0.00 178.44 179.08 1rmj h GLN 12 N 0.12 0.46 -0.01 1.25 1.08 -0.66 -3.08 115.11 114.29 1rmj h GLN 12 Ca 0.08 -0.28 -0.12 0.00 -1.45 0.00 0.00 58.65 56.88 1rmj h GLN 12 Cb 0.06 0.02 -0.02 0.00 -0.05 0.00 0.00 27.48 27.50 1rmj h GLN 12 CO -0.10 0.87 -0.56 1.96 -0.95 0.00 0.00 178.83 180.05 1rmj h GLN 13 N 0.36 0.02 -0.83 1.46 4.20 0.25 -3.35 115.11 117.23 1rmj h GLN 13 Ca 0.01 -0.01 0.21 0.00 0.06 0.00 0.00 58.65 58.92 1rmj h GLN 13 Cb 1.02 0.00 -0.14 0.00 0.30 0.00 0.00 27.48 28.67 1rmj h GLN 13 CO 0.09 0.57 0.13 1.25 -0.67 0.00 0.00 178.83 180.20 1rmj h LEU 14 N 0.02 -0.17 0.01 1.46 6.46 0.19 1.91 115.31 125.19 1rmj h LEU 14 Ca -0.00 0.20 -0.22 0.00 -0.12 0.00 0.00 57.88 57.73 1rmj h LEU 14 Cb 0.99 0.31 -0.02 0.00 -0.73 0.00 0.00 40.66 41.21 1rmj h LEU 14 CO 0.07 -0.17 -1.05 1.56 -0.62 0.00 0.00 178.44 178.23 1rmj h GLN 15 N 0.16 0.08 0.00 1.25 1.08 -1.77 -3.37 115.11 112.54 1rmj h GLN 15 Ca 0.49 -0.13 -0.08 0.00 -1.45 0.00 0.00 58.65 57.48 1rmj h GLN 15 Cb 0.93 0.05 -0.02 0.00 -0.05 0.00 0.00 27.48 28.39 1rmj h GLN 15 CO -0.67 1.05 -1.74 2.41 -0.95 0.00 0.00 178.83 178.93 1rmj n THR 16 N -3.42 0.31 -0.32 -0.54 -1.04 -0.81 -4.55 114.28 103.91 1rmj n THR 16 Ca -0.02 -0.41 0.05 0.00 -2.04 0.00 0.00 64.05 61.62 1rmj n THR 16 Cb 0.95 -0.11 0.28 0.00 -1.82 0.00 0.00 70.33 69.64 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 -2.17 3.70 0.31 -2.82 1.02 0.64 -4.25 120.64 117.08 1rmj n GLU 17 Ca -0.09 -2.19 0.18 0.00 -0.02 0.00 0.00 57.16 55.03 1rmj n GLU 17 Cb 0.56 -2.04 1.01 0.00 -0.02 0.00 0.00 31.44 30.96 1rmj n GLU 17 CO 0.00 0.00 0.00 -0.39 1.18 0.00 0.00 177.13 177.92 1rmj h VAL 18 N 2.75 0.35 0.00 2.62 -1.51 -1.72 -1.85 116.25 116.90 1rmj h VAL 18 Ca 0.01 -0.02 0.00 0.00 -1.23 0.00 0.00 66.70 65.46 1rmj h VAL 18 Cb 1.54 1.01 0.00 0.00 -2.13 0.00 0.00 31.29 31.72 1rmj h VAL 18 CO 0.35 0.00 0.00 0.00 -1.23 0.00 0.00 177.57 176.69 1rmj n TYR 19 N -3.59 0.00 -0.31 5.19 0.18 -1.23 -2.68 117.16 114.72 1rmj n TYR 19 Ca -0.03 0.00 0.01 0.00 1.88 0.00 0.00 57.90 59.76 1rmj n TYR 19 Cb 0.08 -0.04 0.08 0.00 -0.38 0.00 0.00 39.34 39.08 1rmj n TYR 19 CO 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 176.86 174.78 1rmj h ARG 20 N 0.03 -0.03 0.00 -3.48 2.47 -1.60 -3.37 114.38 108.41 1rmj h ARG 20 Ca 0.00 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.72 1rmj h ARG 20 Cb 0.20 0.01 0.00 0.00 -1.65 0.00 0.00 29.97 28.53 1rmj h ARG 20 CO 0.00 -0.02 0.00 0.41 0.56 0.00 0.00 179.97 180.92 1rmj n GLY 21 N -1.52 0.11 0.46 0.04 0.00 -1.26 -4.94 105.19 98.07 1rmj n GLY 21 Ca 0.11 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.13 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 -1.79 1.40 -0.29 4.61 0.00 -1.26 -4.84 120.51 118.33 1rmj n ALA 22 Ca 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 53.44 53.27 1rmj n ALA 22 Cb 0.00 0.01 0.00 0.00 0.00 0.00 0.00 19.45 19.46 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 -2.66 1.13 -0.60 0.00 6.02 -1.13 -3.47 117.38 116.67 1rmj n GLN 23 Ca -0.01 -0.91 -0.07 0.00 -0.01 0.00 0.00 57.00 56.01 1rmj n GLN 23 Cb 0.03 -0.85 -0.10 0.00 1.02 0.00 0.00 30.24 30.34 1rmj n GLN 23 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 177.06 176.30 1rmj n THR 24 N -0.23 1.85 -2.48 5.09 -2.24 -1.09 -3.36 114.28 111.82 1rmj n THR 24 Ca 0.00 -0.89 -0.43 0.00 -2.27 0.00 0.00 64.05 60.47 1rmj n THR 24 Cb 0.23 -1.76 -0.02 0.00 -2.10 0.00 0.00 70.33 66.68 1rmj n THR 24 CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 1rmj s LEU 25 N 0.00 4.23 -0.04 3.22 2.96 -0.50 -4.50 118.68 124.05 1rmj s LEU 25 Ca 0.38 1.72 -0.15 0.00 -0.22 0.00 0.00 54.13 55.86 1rmj s LEU 25 Cb 0.18 -3.55 -0.05 0.00 0.50 0.00 0.00 46.19 43.27 1rmj s LEU 25 CO 0.00 -0.64 0.39 -0.47 -1.32 0.00 0.00 176.35 174.30 1rmj s TYR 26 N 2.73 3.66 -0.13 5.38 5.04 -1.26 -0.95 117.35 131.82 1rmj s TYR 26 Ca 0.54 0.91 -0.02 0.00 -2.44 0.00 0.00 57.07 56.06 1rmj s TYR 26 Cb -0.22 -2.31 -0.02 0.00 0.35 0.00 0.00 41.96 39.75 1rmj s TYR 26 CO 0.18 0.54 -0.07 0.08 -1.34 0.00 0.00 175.55 174.94 1rmj s VAL 27 N -0.67 3.61 0.21 3.14 1.01 0.63 -4.93 120.40 123.40 1rmj s VAL 27 Ca 0.23 -0.47 -0.15 0.00 0.00 0.00 0.00 61.98 61.59 1rmj s VAL 27 Cb -0.16 -2.54 -0.08 0.00 0.00 0.00 0.00 36.38 33.60 1rmj s VAL 27 CO 0.11 0.52 0.63 -2.16 0.00 0.00 0.00 175.10 174.20 1rmj s PRO 28 N 0.12 4.02 -0.21 2.72 0.04 -1.26 0.12 135.00 140.54 1rmj s PRO 28 Ca -0.03 0.58 -0.06 0.00 0.04 0.00 0.00 61.00 61.54 1rmj s PRO 28 Cb -0.14 -2.78 -0.03 0.00 0.04 0.00 0.00 34.50 31.59 1rmj s PRO 28 CO 0.03 0.37 0.03 1.21 0.04 0.00 0.00 177.00 178.68 1rmj s ASN 29 N -1.91 4.99 0.04 6.66 3.04 -1.10 -4.88 114.94 121.78 1rmj s ASN 29 Ca 0.44 -0.18 0.05 0.00 0.04 0.00 0.00 52.86 53.21 1rmj s ASN 29 Cb -0.14 -1.87 -0.02 0.00 -1.54 0.00 0.00 41.25 37.68 1rmj s ASN 29 CO 0.20 0.04 -0.14 0.00 -3.04 0.00 0.00 177.10 174.16 1rmj s ASP 31 N -1.25 4.38 0.65 0.00 -4.77 -0.95 -4.84 116.67 109.88 1rmj s ASP 31 Ca 0.01 -0.48 0.20 0.00 -3.30 0.00 0.00 52.55 48.98 1rmj s ASP 31 Cb -0.08 0.12 1.02 0.00 -1.09 0.00 0.00 42.92 42.88 1rmj s ASP 31 CO 0.01 -1.85 1.56 -0.74 0.70 0.00 0.00 175.17 174.85 1rmj h HIS 32 N -0.47 0.00 -0.32 2.11 -0.00 -1.97 0.36 115.15 114.87 1rmj h HIS 32 Ca -0.35 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.02 1rmj h HIS 32 Cb 1.27 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 28.68 1rmj h HIS 32 CO -0.16 0.00 0.00 0.54 -0.00 0.00 0.00 177.93 178.31 1rmj n ARG 33 N -2.91 1.74 -0.75 5.26 5.12 -1.26 0.85 116.66 124.71 1rmj n ARG 33 Ca 0.02 -1.15 0.00 0.00 -1.93 0.00 0.00 57.85 54.79 1rmj n ARG 33 Cb 0.73 -1.25 0.00 0.00 -1.16 0.00 0.00 32.46 30.78 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 1.01 0.40 3.90 -0.13 0.00 0.13 -3.98 105.19 106.52 1rmj n GLY 34 Ca 0.11 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.85 1rmj n GLY 34 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1rmj s PHE 35 N -2.17 3.51 -0.65 1.61 0.40 -1.26 0.05 117.98 119.47 1rmj s PHE 35 Ca 0.00 0.78 -0.26 0.00 -0.60 0.00 0.00 56.93 56.85 1rmj s PHE 35 Cb 0.00 -2.25 -0.02 0.00 0.51 0.00 0.00 43.02 41.26 1rmj s PHE 35 CO 0.00 -0.09 1.82 0.71 0.70 0.00 0.00 175.22 178.35 1rmj s TYR 36 N -2.46 1.73 -0.03 0.36 1.51 -0.91 -2.24 117.35 115.32 1rmj s TYR 36 Ca 0.47 0.68 -0.01 0.00 -1.01 0.00 0.00 57.07 57.21 1rmj s TYR 36 Cb -0.10 -4.14 -0.00 0.00 -0.11 0.00 0.00 41.96 37.61 1rmj s TYR 36 CO 0.37 -2.23 0.06 -0.09 -1.11 0.00 0.00 175.55 172.54 1rmj h ARG 37 N 14.15 -0.02 0.00 -0.62 9.65 -1.68 -3.24 114.38 132.61 1rmj h ARG 37 Ca -0.22 0.00 -0.38 0.00 -1.10 0.00 0.00 59.98 58.28 1rmj h ARG 37 Cb 1.14 0.00 -0.06 0.00 -1.39 0.00 0.00 29.97 29.66 1rmj h ARG 37 CO 1.23 -0.01 -2.36 1.63 2.80 0.00 0.00 179.97 183.25 1rmj n LYS 38 N -2.84 0.57 -4.28 0.20 5.02 -1.26 -3.65 118.16 111.92 1rmj n LYS 38 Ca -0.00 0.17 -0.24 0.00 -2.02 0.00 0.00 58.31 56.22 1rmj n LYS 38 Cb 0.01 -1.45 -0.08 0.00 -0.02 0.00 0.00 35.03 33.49 1rmj n LYS 38 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 1rmj s ARG 39 N -2.47 2.18 -0.03 1.97 0.52 -1.26 0.12 118.95 119.98 1rmj s ARG 39 Ca -0.33 -1.61 -0.01 0.00 -0.52 0.00 0.00 55.73 53.26 1rmj s ARG 39 Cb 0.10 -2.04 0.03 0.00 0.52 0.00 0.00 34.95 33.56 1rmj s ARG 39 CO 0.51 0.21 0.05 -0.65 0.02 0.00 0.00 175.30 175.45 1rmj s GLN 40 N -3.72 -0.05 -0.09 3.54 -0.21 -0.88 -2.71 119.66 115.54 1rmj s GLN 40 Ca 0.34 0.31 -0.00 0.00 0.02 0.00 0.00 55.36 56.03 1rmj s GLN 40 Cb -0.03 -0.39 -0.03 0.00 1.00 0.00 0.00 33.01 33.57 1rmj s GLN 40 CO 0.20 -0.26 -0.07 0.00 -2.12 0.00 0.00 175.29 173.04 1rmj s ARG 42 N -0.49 3.82 0.17 0.00 1.04 -1.06 -0.27 118.95 122.16 1rmj s ARG 42 Ca 0.07 -0.39 0.08 0.00 -1.04 0.00 0.00 55.73 54.45 1rmj s ARG 42 Cb -0.12 -3.49 -0.04 0.00 -2.04 0.00 0.00 34.95 29.26 1rmj s ARG 42 CO 0.02 -0.16 -0.17 -1.12 -0.04 0.00 0.00 175.30 173.83 1rmj s SER 43 N 1.62 2.63 0.27 -2.89 0.01 -0.12 -2.75 113.70 112.47 1rmj s SER 43 Ca 0.07 -0.89 0.11 0.00 1.31 0.00 0.00 55.95 56.55 1rmj s SER 43 Cb -0.15 -0.15 -0.05 0.00 0.21 0.00 0.00 66.02 65.88 1rmj s SER 43 CO 0.07 -0.06 -0.12 -0.44 0.41 0.00 0.00 173.24 173.10 1rmj s SER 44 N -2.77 3.98 0.15 2.44 0.01 -0.84 -1.40 113.70 115.26 1rmj s SER 44 Ca 0.17 -0.85 -0.19 0.00 1.31 0.00 0.00 55.95 56.38 1rmj s SER 44 Cb -0.05 -0.53 0.04 0.00 0.21 0.00 0.00 66.02 65.69 1rmj s SER 44 CO 0.07 0.03 1.67 -0.61 0.41 0.00 0.00 173.24 174.81 1rmj h GLN 45 N 2.18 -0.07 0.25 12.44 -0.00 -1.85 -2.79 115.11 125.28 1rmj h GLN 45 Ca -0.42 0.00 -0.00 0.00 -0.00 0.00 0.00 58.65 58.23 1rmj h GLN 45 Cb 1.25 0.02 -0.03 0.00 0.00 0.00 0.00 27.48 28.72 1rmj h GLN 45 CO 0.59 -0.05 -0.41 0.78 0.00 0.00 0.00 178.83 179.75 1rmj h GLY 46 N -0.07 -1.17 -7.54 2.39 0.00 -1.96 -3.36 103.07 91.35 1rmj h GLY 46 Ca 0.14 0.58 -0.70 0.00 0.00 0.00 0.00 47.33 47.35 1rmj h GLY 46 CO -0.33 -0.33 -0.55 1.20 0.00 0.00 0.00 176.54 176.53 1rmj s GLN 47 N -5.21 2.37 0.00 4.80 -0.21 -1.07 -4.94 119.66 115.41 1rmj s GLN 47 Ca -0.14 -1.52 0.17 0.00 0.02 0.00 0.00 55.36 53.89 1rmj s GLN 47 Cb 0.04 -3.57 0.78 0.00 1.00 0.00 0.00 33.01 31.25 1rmj s GLN 47 CO 0.48 -0.91 1.52 0.54 -2.12 0.00 0.00 175.29 174.80 1rmj n ARG 48 N 4.74 0.10 0.00 2.91 1.74 -1.15 -1.99 116.66 123.01 1rmj n ARG 48 Ca -0.08 0.18 0.00 0.00 -0.77 0.00 0.00 57.85 57.17 1rmj n ARG 48 Cb 0.43 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 30.37 1rmj n ARG 48 CO 0.00 0.00 0.00 2.89 -1.52 0.00 0.00 177.63 179.00 1rmj n ARG 49 N -1.41 1.91 0.00 5.56 -4.01 -1.26 -4.74 116.66 112.71 1rmj n ARG 49 Ca 0.06 0.00 0.00 0.00 -1.04 0.00 0.00 57.85 56.87 1rmj n ARG 49 Cb 0.17 0.00 0.00 0.00 -3.04 0.00 0.00 32.46 29.59 1rmj n ARG 49 CO 0.00 0.00 0.00 0.41 -3.04 0.00 0.00 177.63 175.00 1rmj n GLY 50 N 0.93 -1.65 3.76 2.89 0.00 -1.26 -4.23 105.19 105.63 1rmj n GLY 50 Ca 0.00 -1.00 -0.39 0.00 0.00 0.00 0.00 46.02 44.63 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 4.64 0.34 1.61 0.04 -1.11 -4.18 135.00 136.35 1rmj s PRO 51 Ca 0.00 1.64 0.01 0.00 0.04 0.00 0.00 61.00 62.69 1rmj s PRO 51 Cb 0.00 -3.10 -0.03 0.00 0.04 0.00 0.00 34.50 31.41 1rmj s PRO 51 CO 0.00 0.26 0.53 0.00 0.04 0.00 0.00 177.00 177.83 1rmj s TRP 53 N -2.28 1.65 0.28 0.00 -2.14 -0.30 -4.37 118.94 111.77 1rmj s TRP 53 Ca 0.40 -0.66 -0.29 0.00 2.66 0.00 0.00 56.10 58.22 1rmj s TRP 53 Cb -0.10 -0.82 -0.09 0.00 -3.10 0.00 0.00 33.47 29.36 1rmj s TRP 53 CO 0.35 0.26 1.00 0.00 -2.66 0.00 0.00 176.95 175.90 1rmj s VAL 55 N -1.30 0.05 0.80 0.00 -7.23 0.33 -0.77 120.40 112.29 1rmj s VAL 55 Ca 0.45 -1.88 -0.05 0.00 -1.81 0.00 0.00 61.98 58.69 1rmj s VAL 55 Cb -0.26 -2.21 0.15 0.00 0.56 0.00 0.00 36.38 34.62 1rmj s VAL 55 CO 0.33 -0.25 1.09 1.51 -0.31 0.00 0.00 175.10 177.48 1rmj s ASP 56 N -3.08 3.96 0.52 4.85 -4.77 -0.66 -4.19 116.67 113.29 1rmj s ASP 56 Ca 0.29 -0.21 0.29 0.00 -3.30 0.00 0.00 52.55 49.63 1rmj s ASP 56 Cb 0.07 -0.05 1.42 0.00 -1.09 0.00 0.00 42.92 43.27 1rmj s ASP 56 CO 0.06 -2.14 1.89 0.08 0.70 0.00 0.00 175.17 175.76 1rmj h ARG 57 N -0.86 0.06 0.00 2.11 0.11 -1.62 0.26 114.38 114.42 1rmj h ARG 57 Ca -0.38 -0.00 -0.02 0.00 0.10 0.00 0.00 59.98 59.68 1rmj h ARG 57 Cb 1.26 -0.01 -0.00 0.00 1.11 0.00 0.00 29.97 32.32 1rmj h ARG 57 CO 0.39 0.04 -0.08 1.98 0.10 0.00 0.00 179.97 182.40 1rmj h MET 58 N 0.06 0.00 0.00 0.08 -1.53 -1.90 -2.41 114.93 109.23 1rmj h MET 58 Ca 0.43 0.00 0.00 0.00 -3.44 0.00 0.00 59.70 56.69 1rmj h MET 58 Cb 1.61 0.00 0.00 0.00 -0.55 0.00 0.00 31.60 32.66 1rmj h MET 58 CO -0.03 0.08 0.00 0.41 0.14 0.00 0.00 176.91 177.50 1rmj n GLY 59 N 0.82 1.22 3.79 1.39 0.00 0.90 -4.54 105.19 108.77 1rmj n GLY 59 Ca 0.03 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.66 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 -0.33 4.44 -0.19 1.61 2.20 -1.26 -4.77 119.74 121.44 1rmj s LYS 60 Ca 0.00 1.01 -0.29 0.00 -0.36 0.00 0.00 55.97 56.33 1rmj s LYS 60 Cb 0.00 -3.25 -0.02 0.00 -1.51 0.00 0.00 37.83 33.04 1rmj s LYS 60 CO 0.00 0.60 1.49 -1.12 -0.36 0.00 0.00 175.35 175.95 1rmj s SER 61 N -1.13 6.62 -0.02 1.43 0.01 -1.26 -1.66 113.70 117.69 1rmj s SER 61 Ca 0.33 1.68 -0.24 0.00 1.31 0.00 0.00 55.95 59.04 1rmj s SER 61 Cb -0.22 -2.53 -0.20 0.00 0.21 0.00 0.00 66.02 63.28 1rmj s SER 61 CO 0.24 -1.05 1.18 -0.07 0.41 0.00 0.00 173.24 173.95 1rmj h LEU 62 N 10.81 0.22 0.00 2.44 3.38 -1.28 -3.46 115.31 127.42 1rmj h LEU 62 Ca -0.32 -0.62 0.00 0.00 0.09 0.00 0.00 57.88 57.03 1rmj h LEU 62 Cb 1.14 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.82 1rmj h LEU 62 CO 0.99 0.80 0.00 -0.81 0.09 0.00 0.00 178.44 179.51 1rmj n PRO 63 N -4.60 3.48 0.08 1.13 -0.04 -1.26 -5.09 135.00 128.69 1rmj n PRO 63 Ca -0.08 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.38 1rmj n PRO 63 Cb 0.40 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.86 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 5.00 -0.12 3.89 0.55 0.00 -1.26 -5.04 105.19 108.20 1rmj n GLY 64 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 1rmj n GLY 64 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1rmj s SER 65 N -5.71 6.55 0.19 1.61 1.04 -1.26 -5.00 113.70 111.12 1rmj s SER 65 Ca 0.00 0.74 -0.05 0.00 0.48 0.00 0.00 55.95 57.12 1rmj s SER 65 Cb 0.00 -2.15 0.10 0.00 0.10 0.00 0.00 66.02 64.07 1rmj s SER 65 CO 0.00 -0.00 1.52 1.55 0.98 0.00 0.00 173.24 177.29 1rmj h PRO 66 N 2.71 0.68 -0.72 4.02 0.13 -1.87 -2.44 132.00 134.50 1rmj h PRO 66 Ca -0.46 -0.38 0.00 0.00 -0.87 0.00 0.00 66.00 64.29 1rmj h PRO 66 Cb 1.17 0.02 0.00 0.00 0.13 0.00 0.00 31.00 32.32 1rmj h PRO 66 CO 0.71 0.99 0.00 -0.25 -0.23 0.00 0.00 178.00 179.22 1rmj n ASP 67 N -4.01 3.04 0.00 1.44 8.00 -1.26 -3.69 116.55 120.07 1rmj n ASP 67 Ca -0.02 -2.37 0.00 0.00 0.71 0.00 0.00 54.79 53.11 1rmj n ASP 67 Cb 0.56 -0.53 0.00 0.00 -0.02 0.00 0.00 41.12 41.13 1rmj n ASP 67 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1rmj n GLY 68 N 0.43 1.04 3.41 0.44 0.00 -0.92 -4.84 105.19 104.75 1rmj n GLY 68 Ca 0.13 0.00 -0.45 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 -1.00 6.96 0.00 1.61 2.47 -1.26 -4.76 114.94 118.96 1rmj s ASN 69 Ca 0.00 -2.82 0.00 0.00 0.42 0.00 0.00 52.86 50.46 1rmj s ASN 69 Cb 0.00 -2.33 0.00 0.00 -1.45 0.00 0.00 41.25 37.47 1rmj s ASN 69 CO 0.00 -0.70 0.00 0.61 -3.72 0.00 0.00 177.10 173.29 1rmj n GLY 70 N 4.15 -1.96 0.07 1.21 0.00 -1.26 -4.82 105.19 102.58 1rmj n GLY 70 Ca 0.27 -0.57 -0.06 0.00 0.00 0.00 0.00 46.02 45.66 1rmj n GLY 70 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1rmj h SER 71 N 0.00 0.00 0.39 1.61 4.64 -1.76 -3.24 113.55 115.18 1rmj h SER 71 Ca 0.00 -0.16 -0.32 0.00 -0.47 0.00 0.00 61.79 60.84 1rmj h SER 71 Cb 0.00 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.07 1rmj h SER 71 CO 0.00 0.76 -1.68 0.28 -0.87 0.00 0.00 176.83 175.32 1rmj h SER 72 N -1.00 0.30 -3.82 4.97 0.02 -1.88 -2.96 113.55 109.18 1rmj h SER 72 Ca -0.04 -0.51 -0.49 0.00 -0.84 0.00 0.00 61.79 59.90 1rmj h SER 72 Cb 0.44 -0.10 0.01 0.00 0.14 0.00 0.00 62.40 62.88 1rmj h SER 72 CO -0.02 1.44 0.42 -0.44 -1.14 0.00 0.00 176.83 177.10 1rmj s SER 73 N -6.79 7.28 -0.04 3.07 0.01 -1.26 -4.73 113.70 111.23 1rmj s SER 73 Ca -0.11 2.12 0.05 0.00 1.31 0.00 0.00 55.95 59.33 1rmj s SER 73 Cb 0.07 -2.61 -0.02 0.00 0.21 0.00 0.00 66.02 63.67 1rmj s SER 73 CO 0.83 -0.12 -0.20 0.00 0.41 0.00 0.00 173.24 174.16 1rmj h PRO 75 N 5.50 0.00 -4.63 0.00 0.13 -1.92 -3.43 132.00 127.64 1rmj h PRO 75 Ca -0.43 0.00 -0.70 0.00 -0.87 0.00 0.00 66.00 64.00 1rmj h PRO 75 Cb 1.14 0.00 -0.24 0.00 0.13 0.00 0.00 31.00 32.03 1rmj h PRO 75 CO 0.49 0.00 -0.53 0.95 -0.23 0.00 0.00 178.00 178.68 1rmj s THR 76 N -1.54 4.51 0.01 1.56 -4.23 -1.26 -4.99 115.64 109.70 1rmj s THR 76 Ca -0.02 -0.80 -0.17 0.00 -1.18 0.00 0.00 61.69 59.52 1rmj s THR 76 Cb 0.00 -3.48 -0.10 0.00 1.34 0.00 0.00 72.50 70.27 1rmj s THR 76 CO 0.03 -0.17 0.94 1.23 -0.54 0.00 0.00 174.62 176.11 1rmj h GLY 77 N 8.40 -0.65 -6.91 3.99 0.00 -1.93 -3.44 103.07 102.53 1rmj h GLY 77 Ca -0.27 0.24 -0.47 0.00 0.00 0.00 0.00 47.33 46.83 1rmj h GLY 77 CO 0.65 -0.24 -0.78 -0.56 0.00 0.00 0.00 176.54 175.62 1rmj s SER 78 N -3.75 1.83 0.00 0.19 0.01 -1.26 -4.26 113.70 106.46 1rmj s SER 78 Ca -0.09 -0.18 0.00 0.00 1.31 0.00 0.00 55.95 56.99 1rmj s SER 78 Cb 0.01 -0.59 0.00 0.00 0.21 0.00 0.00 66.02 65.65 1rmj s SER 78 CO 0.27 -0.17 0.49 -1.20 0.41 0.00 0.00 173.24 173.04 1rmj n SER 79 N 5.07 0.00 -0.26 2.44 7.64 -1.26 -5.17 113.62 122.08 1rmj n SER 79 Ca -0.09 0.61 0.03 0.00 1.01 0.00 0.00 58.87 60.43 1rmj n SER 79 Cb 0.50 -0.31 0.03 0.00 -1.01 0.00 0.00 64.21 63.42 1rmj n SER 79 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64