#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 1.40 -1.15 1.43 4.02 -1.26 -4.76 117.16 116.84 1rmj n TYR -26 Ca 0.00 0.66 -0.37 0.00 -0.01 0.00 0.00 57.90 58.18 1rmj n TYR -26 Cb 0.00 -2.31 -0.03 0.00 -0.02 0.00 0.00 39.34 36.98 1rmj n TYR -26 CO 0.00 0.00 0.00 2.48 -1.01 0.00 0.00 176.86 178.33 1rmj n TYR -25 N 2.07 2.05 -4.22 -0.72 0.18 -1.26 -4.89 117.16 110.37 1rmj n TYR -25 Ca 0.17 -2.15 -0.30 0.00 1.88 0.00 0.00 57.90 57.50 1rmj n TYR -25 Cb 0.21 -1.90 -0.09 0.00 -0.38 0.00 0.00 39.34 37.18 1rmj n TYR -25 CO 0.00 0.00 0.00 -1.01 -2.08 0.00 0.00 176.86 173.77 1rmj s HIS -24 N 4.04 2.90 -0.46 -3.48 3.76 -1.26 -4.78 115.29 116.01 1rmj s HIS -24 Ca 0.52 -0.06 -0.10 0.00 -0.15 0.00 0.00 55.06 55.27 1rmj s HIS -24 Cb 0.13 -1.52 0.01 0.00 1.11 0.00 0.00 32.58 32.31 1rmj s HIS -24 CO 0.03 0.45 0.55 0.72 -0.85 0.00 0.00 174.74 175.64 1rmj n HIS -23 N 0.81 -2.92 -0.08 1.40 8.25 -1.26 -4.94 115.22 116.48 1rmj n HIS -23 Ca -0.12 1.16 -0.13 0.00 -0.26 0.00 0.00 57.72 58.36 1rmj n HIS -23 Cb 0.52 -3.78 -0.05 0.00 1.12 0.00 0.00 29.99 27.80 1rmj n HIS -23 CO 0.00 0.00 0.00 1.25 0.64 0.00 0.00 176.34 178.23 1rmj h HIS -22 N 1.32 0.77 -0.97 4.41 2.76 -2.00 -3.37 115.15 118.07 1rmj h HIS -22 Ca 0.00 -0.23 -0.54 0.00 -2.20 0.00 0.00 60.37 57.40 1rmj h HIS -22 Cb 0.92 -0.16 -0.08 0.00 1.55 0.00 0.00 27.41 29.63 1rmj h HIS -22 CO 0.12 0.96 1.43 -1.58 -1.30 0.00 0.00 177.93 177.55 1rmj s HIS -21 N -4.33 2.40 0.36 5.26 2.46 -1.26 -4.79 115.29 115.39 1rmj s HIS -21 Ca -0.13 -0.60 0.11 0.00 0.47 0.00 0.00 55.06 54.91 1rmj s HIS -21 Cb 0.08 -4.55 0.68 0.00 -0.13 0.00 0.00 32.58 28.66 1rmj s HIS -21 CO 0.82 -1.85 1.82 0.45 -2.47 0.00 0.00 174.74 173.51 1rmj h HIS -20 N 9.78 0.12 -3.95 3.88 3.86 -1.98 -3.43 115.15 123.44 1rmj h HIS -20 Ca 0.21 -0.02 -0.52 0.00 -1.16 0.00 0.00 60.37 58.88 1rmj h HIS -20 Cb 0.99 -0.03 0.07 0.00 1.06 0.00 0.00 27.41 29.49 1rmj h HIS -20 CO 1.29 0.42 0.55 -1.58 0.86 0.00 0.00 177.93 179.47 1rmj s HIS -19 N -4.31 2.93 0.00 2.45 2.46 -1.26 -5.02 115.29 112.54 1rmj s HIS -19 Ca -0.04 1.49 0.00 0.00 0.47 0.00 0.00 55.06 56.98 1rmj s HIS -19 Cb 0.14 -3.52 0.00 0.00 -0.13 0.00 0.00 32.58 29.07 1rmj s HIS -19 CO 0.74 -1.69 0.00 -3.47 -2.47 0.00 0.00 174.74 167.84 1rmj n ASP -18 N 0.05 0.00 -4.16 9.88 2.03 -1.26 -5.01 116.55 118.08 1rmj n ASP -18 Ca 0.04 0.00 -0.42 0.00 0.52 0.00 0.00 54.79 54.93 1rmj n ASP -18 Cb 0.45 0.00 -0.01 0.00 -0.72 0.00 0.00 41.12 40.85 1rmj n ASP -18 CO 0.00 0.00 0.00 -1.22 -1.92 0.00 0.00 177.20 174.06 1rmj n TYR -17 N 0.00 3.95 -3.74 -0.67 4.01 -1.26 -4.89 117.16 114.56 1rmj n TYR -17 Ca 0.00 -2.79 -0.38 0.00 -0.16 0.00 0.00 57.90 54.57 1rmj n TYR -17 Cb 0.00 -2.56 -0.12 0.00 -0.31 0.00 0.00 39.34 36.35 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 3.91 5.27 -0.33 7.72 2.15 -1.26 -5.06 116.67 129.07 1rmj s ASP -16 Ca 0.52 -0.90 -0.27 0.00 0.43 0.00 0.00 52.55 52.33 1rmj s ASP -16 Cb 0.09 -1.89 0.01 0.00 -0.30 0.00 0.00 42.92 40.83 1rmj s ASP -16 CO 0.01 -0.26 0.97 -0.63 -0.17 0.00 0.00 175.17 175.08 1rmj s ILE -15 N 1.47 4.59 -1.05 4.11 1.01 -1.26 -4.95 121.20 125.13 1rmj s ILE -15 Ca 0.01 1.44 -0.24 0.00 0.00 0.00 0.00 60.65 61.87 1rmj s ILE -15 Cb -0.18 -4.33 -0.08 0.00 0.01 0.00 0.00 42.46 37.88 1rmj s ILE -15 CO 0.03 -0.45 1.96 -2.16 0.00 0.00 0.00 174.94 174.32 1rmj s PRO -14 N 3.45 2.43 -0.23 2.79 0.04 -1.26 -4.92 135.00 137.30 1rmj s PRO -14 Ca 0.40 -0.70 -0.06 0.00 0.04 0.00 0.00 61.00 60.68 1rmj s PRO -14 Cb -0.12 -5.14 -0.02 0.00 0.04 0.00 0.00 34.50 29.25 1rmj s PRO -14 CO 0.16 -3.81 0.03 0.95 0.04 0.00 0.00 177.00 174.36 1rmj s THR -13 N 11.02 4.01 -0.15 1.26 -4.23 -1.26 -5.00 115.64 121.29 1rmj s THR -13 Ca 0.70 -0.28 -0.15 0.00 -1.18 0.00 0.00 61.69 60.78 1rmj s THR -13 Cb -0.04 -2.85 -0.05 0.00 1.34 0.00 0.00 72.50 70.90 1rmj s THR -13 CO 0.07 0.38 -0.30 0.41 -0.54 0.00 0.00 174.62 174.65 1rmj n THR -12 N 4.69 1.35 0.24 3.99 -1.04 -1.26 -4.50 114.28 117.75 1rmj n THR -12 Ca -0.17 0.19 0.11 0.00 -2.04 0.00 0.00 64.05 62.13 1rmj n THR -12 Cb 0.51 -2.23 0.52 0.00 -1.82 0.00 0.00 70.33 67.31 1rmj n THR -12 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 1rmj n GLU -11 N -4.22 0.15 0.00 -2.82 -0.58 -1.26 -1.47 120.64 110.44 1rmj n GLU -11 Ca -0.12 0.55 0.14 0.00 -0.42 0.00 0.00 57.16 57.31 1rmj n GLU -11 Cb 0.44 -1.89 0.60 0.00 -0.57 0.00 0.00 31.44 30.02 1rmj n GLU -11 CO 0.00 0.00 0.00 0.27 -0.48 0.00 0.00 177.13 176.92 1rmj n ASN -10 N -2.19 0.10 0.23 1.62 6.94 -1.26 -3.50 115.26 117.20 1rmj n ASN -10 Ca 0.00 0.19 -0.14 0.00 -0.02 0.00 0.00 54.58 54.61 1rmj n ASN -10 Cb 0.10 -0.33 -0.08 0.00 -2.36 0.00 0.00 39.78 37.12 1rmj n ASN -10 CO 0.00 0.00 0.00 -0.07 -1.03 0.00 0.00 177.26 176.16 1rmj h LEU -9 N 0.05 -0.51 -0.18 -4.53 -0.00 -1.48 -2.48 115.31 106.17 1rmj h LEU -9 Ca 0.00 -0.09 0.00 0.00 -0.00 0.00 0.00 57.88 57.79 1rmj h LEU -9 Cb 0.44 0.13 0.00 0.00 -0.00 0.00 0.00 40.66 41.24 1rmj h LEU -9 CO 0.00 -0.16 0.00 0.00 -0.00 0.00 0.00 178.44 178.28 1rmj n TYR -8 N -5.24 0.29 0.15 1.13 4.11 -1.25 -2.11 117.16 114.24 1rmj n TYR -8 Ca -0.10 0.11 0.01 0.00 -0.00 0.00 0.00 57.90 57.92 1rmj n TYR -8 Cb 0.30 -0.67 0.20 0.00 -0.00 0.00 0.00 39.34 39.17 1rmj n TYR -8 CO 0.00 0.00 0.00 0.35 -0.00 0.00 0.00 176.86 177.21 1rmj h PHE -7 N 0.00 0.00 -0.31 -3.48 3.57 -1.53 -2.99 116.94 112.20 1rmj h PHE -7 Ca 0.00 0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.50 1rmj h PHE -7 Cb 0.37 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 39.11 1rmj h PHE -7 CO 0.00 0.54 0.00 1.04 -2.23 0.00 0.00 178.31 177.66 1rmj n GLN -6 N -3.62 3.25 0.00 1.11 1.13 -0.90 -4.75 117.38 113.60 1rmj n GLN -6 Ca -0.00 -2.91 0.00 0.00 -1.94 0.00 0.00 57.00 52.15 1rmj n GLN -6 Cb 0.61 -1.92 0.00 0.00 0.11 0.00 0.00 30.24 29.04 1rmj n GLN -6 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1rmj n GLY -5 N -0.33 0.14 3.86 1.08 0.00 -1.12 -5.05 105.19 103.77 1rmj n GLY -5 Ca 0.23 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.93 1rmj n GLY -5 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1rmj s ALA -4 N -2.66 3.04 0.80 4.61 0.00 -1.19 -5.01 121.76 121.35 1rmj s ALA -4 Ca 0.00 -0.04 -0.12 0.00 0.00 0.00 0.00 51.96 51.81 1rmj s ALA -4 Cb 0.00 -3.10 0.08 0.00 0.00 0.00 0.00 23.12 20.10 1rmj s ALA -4 CO 0.00 -0.72 1.13 -1.64 0.00 0.00 0.00 175.76 174.53 1rmj s MET -3 N -5.05 1.88 -1.36 0.00 1.00 -1.26 -4.74 119.30 109.77 1rmj s MET -3 Ca 0.56 1.43 -0.15 0.00 0.00 0.00 0.00 55.69 57.53 1rmj s MET -3 Cb -0.11 -1.83 0.02 0.00 0.00 0.00 0.00 34.83 32.90 1rmj s MET -3 CO 0.52 -1.97 2.13 0.41 0.00 0.00 0.00 175.02 176.12 1rmj n GLY -2 N -0.35 3.95 3.27 -0.03 0.00 0.49 -4.60 105.19 107.92 1rmj n GLY -2 Ca 0.11 -1.53 -0.17 0.00 0.00 0.00 0.00 46.02 44.43 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 6.65 -6.64 -4.28 1.61 7.64 -1.26 -4.66 113.62 112.68 1rmj n SER -1 Ca 0.51 -0.11 -0.26 0.00 1.01 0.00 0.00 58.87 60.02 1rmj n SER -1 Cb 0.40 -3.64 -0.14 0.00 -1.01 0.00 0.00 64.21 59.82 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 -2.50 1.21 0.30 0.23 0.00 -1.07 -4.83 107.32 100.66 1rmj s GLY 1 Ca 0.17 -1.13 0.08 0.00 0.00 0.00 0.00 44.72 43.83 1rmj s GLY 1 CO 0.82 -1.06 1.71 -0.56 0.00 0.00 0.00 173.10 174.01 1rmj h PRO 2 N 4.75 0.18 -0.25 2.90 0.13 -1.81 -3.08 132.00 134.81 1rmj h PRO 2 Ca -0.44 -0.09 -0.16 0.00 -0.87 0.00 0.00 66.00 64.45 1rmj h PRO 2 Cb 1.16 -0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.28 1rmj h PRO 2 CO 0.43 0.58 -0.48 0.00 -0.23 0.00 0.00 178.00 178.30 1rmj h ARG 4 N 0.53 0.37 -0.32 0.00 9.65 -0.98 0.96 114.38 124.60 1rmj h ARG 4 Ca 0.03 -0.02 -0.08 0.00 -1.10 0.00 0.00 59.98 58.80 1rmj h ARG 4 Cb 1.03 -0.08 -0.02 0.00 -1.39 0.00 0.00 29.97 29.51 1rmj h ARG 4 CO 0.10 0.25 -0.14 0.00 2.80 0.00 0.00 179.97 182.97 1rmj h ARG 5 N 0.39 0.56 -0.38 0.20 3.08 -1.55 -1.97 114.38 114.71 1rmj h ARG 5 Ca 0.11 -0.17 -0.03 0.00 0.07 0.00 0.00 59.98 59.95 1rmj h ARG 5 Cb -0.03 -0.05 -0.02 0.00 0.08 0.00 0.00 29.97 29.95 1rmj h ARG 5 CO -0.04 0.69 0.10 1.25 -1.07 0.00 0.00 179.97 180.90 1rmj h HIS 6 N 0.51 0.63 -0.35 3.04 2.76 0.02 -1.62 115.15 120.13 1rmj h HIS 6 Ca 0.09 -0.07 0.03 0.00 -2.20 0.00 0.00 60.37 58.22 1rmj h HIS 6 Cb 0.54 -0.18 -0.03 0.00 1.55 0.00 0.00 27.41 29.29 1rmj h HIS 6 CO 0.02 0.61 0.15 -0.07 -1.30 0.00 0.00 177.93 177.34 1rmj h LEU 7 N 0.47 0.20 -0.39 0.26 3.38 0.14 1.07 115.31 120.43 1rmj h LEU 7 Ca 0.12 0.03 0.02 0.00 0.09 0.00 0.00 57.88 58.13 1rmj h LEU 7 Cb 0.29 -0.01 -0.03 0.00 0.09 0.00 0.00 40.66 41.01 1rmj h LEU 7 CO -0.00 0.15 0.23 0.44 0.09 0.00 0.00 178.44 179.36 1rmj h ASP 8 N 0.32 0.38 -0.13 -0.43 3.32 -1.18 0.58 116.42 119.28 1rmj h ASP 8 Ca 0.15 0.00 -0.03 0.00 0.02 0.00 0.00 57.03 57.17 1rmj h ASP 8 Cb 0.09 -0.08 -0.00 0.00 0.22 0.00 0.00 39.33 39.56 1rmj h ASP 8 CO -0.13 0.28 -0.04 0.28 -1.72 0.00 0.00 179.24 177.91 1rmj h SER 9 N 0.47 0.25 -0.93 6.45 0.02 -0.76 -1.36 113.55 117.71 1rmj h SER 9 Ca 0.15 -0.38 0.02 0.00 -0.84 0.00 0.00 61.79 60.74 1rmj h SER 9 Cb -0.00 -0.07 -0.05 0.00 0.14 0.00 0.00 62.40 62.42 1rmj h SER 9 CO -0.07 0.58 0.61 0.58 -1.14 0.00 0.00 176.83 177.39 1rmj h VAL 10 N -0.07 1.20 -0.42 2.27 2.07 0.14 0.97 116.25 122.41 1rmj h VAL 10 Ca 0.03 -0.42 0.03 0.00 0.82 0.00 0.00 66.70 67.16 1rmj h VAL 10 Cb 0.47 -0.12 -0.03 0.00 -1.52 0.00 0.00 31.29 30.09 1rmj h VAL 10 CO 0.01 0.22 0.23 0.25 0.02 0.00 0.00 177.57 178.30 1rmj h LEU 11 N 1.22 0.35 -0.26 2.57 5.85 0.35 1.78 115.31 127.17 1rmj h LEU 11 Ca 0.35 0.01 -0.09 0.00 0.84 0.00 0.00 57.88 58.99 1rmj h LEU 11 Cb -0.08 -0.05 -0.01 0.00 0.37 0.00 0.00 40.66 40.89 1rmj h LEU 11 CO -0.09 0.25 -0.20 1.56 -0.34 0.00 0.00 178.44 179.61 1rmj h GLN 12 N 0.46 0.61 -0.12 1.25 4.20 -0.06 -3.21 115.11 118.23 1rmj h GLN 12 Ca 0.18 -0.30 -0.14 0.00 0.06 0.00 0.00 58.65 58.45 1rmj h GLN 12 Cb 0.06 -0.00 -0.01 0.00 0.30 0.00 0.00 27.48 27.83 1rmj h GLN 12 CO -0.11 0.89 -0.52 1.96 -0.67 0.00 0.00 178.83 180.38 1rmj h GLN 13 N 0.33 0.33 -0.81 1.46 4.20 0.14 -3.32 115.11 117.45 1rmj h GLN 13 Ca 0.05 -0.20 0.18 0.00 0.06 0.00 0.00 58.65 58.74 1rmj h GLN 13 Cb 0.75 0.02 -0.11 0.00 0.30 0.00 0.00 27.48 28.43 1rmj h GLN 13 CO 0.05 0.78 0.30 1.25 -0.67 0.00 0.00 178.83 180.54 1rmj h LEU 14 N 0.26 0.22 -1.44 1.46 6.46 0.27 2.46 115.31 125.01 1rmj h LEU 14 Ca 0.01 0.14 -0.04 0.00 -0.12 0.00 0.00 57.88 57.87 1rmj h LEU 14 Cb 1.00 0.14 -0.01 0.00 -0.73 0.00 0.00 40.66 41.07 1rmj h LEU 14 CO 0.09 0.02 -0.17 1.56 -0.62 0.00 0.00 178.44 179.31 1rmj h GLN 15 N 0.38 0.00 0.00 1.25 4.20 -1.72 -3.06 115.11 116.16 1rmj h GLN 15 Ca 0.48 0.00 -0.26 0.00 0.06 0.00 0.00 58.65 58.92 1rmj h GLN 15 Cb 0.83 0.00 -0.05 0.00 0.30 0.00 0.00 27.48 28.56 1rmj h GLN 15 CO -0.49 0.17 -1.98 2.41 -0.67 0.00 0.00 178.83 178.27 1rmj n THR 16 N -3.44 0.98 -0.34 -0.54 -1.04 0.18 -4.55 114.28 105.53 1rmj n THR 16 Ca -0.01 -0.61 0.02 0.00 -2.04 0.00 0.00 64.05 61.42 1rmj n THR 16 Cb 0.35 -0.62 0.26 0.00 -1.82 0.00 0.00 70.33 68.51 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 -2.53 3.50 -0.33 -2.82 -0.58 0.80 -4.45 120.64 114.24 1rmj n GLU 17 Ca -0.23 -2.18 0.12 0.00 -0.42 0.00 0.00 57.16 54.45 1rmj n GLU 17 Cb 0.97 -2.01 0.34 0.00 -0.57 0.00 0.00 31.44 30.16 1rmj n GLU 17 CO 0.00 0.00 0.00 -0.39 -0.48 0.00 0.00 177.13 176.26 1rmj h VAL 18 N 2.53 0.78 0.00 2.62 -1.51 -1.72 -2.04 116.25 116.91 1rmj h VAL 18 Ca 0.05 -0.26 0.00 0.00 -1.23 0.00 0.00 66.70 65.26 1rmj h VAL 18 Cb 1.62 -0.05 0.00 0.00 -2.13 0.00 0.00 31.29 30.73 1rmj h VAL 18 CO 0.39 0.14 0.00 0.00 -1.23 0.00 0.00 177.57 176.87 1rmj n TYR 19 N -4.66 0.00 -0.19 5.19 4.11 -0.77 -2.11 117.16 118.74 1rmj n TYR 19 Ca 0.21 0.00 -0.04 0.00 -0.00 0.00 0.00 57.90 58.07 1rmj n TYR 19 Cb 0.52 0.00 0.03 0.00 -0.00 0.00 0.00 39.34 39.89 1rmj n TYR 19 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.86 176.86 1rmj h ARG 20 N 0.00 -0.11 0.00 -3.48 2.47 -1.69 -3.38 114.38 108.19 1rmj h ARG 20 Ca 0.00 0.01 0.00 0.00 -1.26 0.00 0.00 59.98 58.73 1rmj h ARG 20 Cb 0.00 0.02 0.00 0.00 -1.65 0.00 0.00 29.97 28.34 1rmj h ARG 20 CO 0.00 -0.07 0.00 0.41 0.56 0.00 0.00 179.97 180.87 1rmj n GLY 21 N -1.43 0.12 0.45 0.04 0.00 -1.26 -4.97 105.19 98.14 1rmj n GLY 21 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.07 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 -1.56 1.40 -0.44 4.61 0.00 -1.26 -4.87 120.51 118.39 1rmj n ALA 22 Ca 0.00 -0.12 0.00 0.00 0.00 0.00 0.00 53.44 53.32 1rmj n ALA 22 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 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 -2.42 0.88 -0.64 0.00 6.02 -0.90 -1.84 117.38 118.49 1rmj n GLN 23 Ca 0.00 -0.78 -0.07 0.00 -0.01 0.00 0.00 57.00 56.14 1rmj n GLN 23 Cb 0.00 -0.78 -0.10 0.00 1.02 0.00 0.00 30.24 30.38 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 -0.18 1.98 -2.41 5.09 5.66 -1.17 -3.65 114.28 119.60 1rmj n THR 24 Ca 0.00 -0.94 -0.42 0.00 -3.05 0.00 0.00 64.05 59.63 1rmj n THR 24 Cb 0.27 -1.78 -0.03 0.00 -1.55 0.00 0.00 70.33 67.24 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 0.00 4.34 0.25 1.09 2.96 0.54 -3.95 118.68 123.91 1rmj s LEU 25 Ca 0.40 1.97 -0.30 0.00 -0.22 0.00 0.00 54.13 55.99 1rmj s LEU 25 Cb 0.19 -3.57 -0.09 0.00 0.50 0.00 0.00 46.19 43.22 1rmj s LEU 25 CO 0.00 -0.52 1.08 -0.47 -1.32 0.00 0.00 176.35 175.12 1rmj s TYR 26 N 1.46 3.63 -0.07 5.38 5.04 -1.26 -2.19 117.35 129.34 1rmj s TYR 26 Ca 0.58 1.70 0.03 0.00 -2.44 0.00 0.00 57.07 56.94 1rmj s TYR 26 Cb -0.28 -3.25 -0.02 0.00 0.35 0.00 0.00 41.96 38.76 1rmj s TYR 26 CO 0.27 -0.45 -0.16 0.08 -1.34 0.00 0.00 175.55 173.95 1rmj s VAL 27 N -0.94 2.86 0.31 3.14 1.01 0.11 -4.92 120.40 121.97 1rmj s VAL 27 Ca 0.45 -0.78 -0.12 0.00 0.00 0.00 0.00 61.98 61.54 1rmj s VAL 27 Cb -0.31 -2.13 -0.08 0.00 0.00 0.00 0.00 36.38 33.87 1rmj s VAL 27 CO 0.38 0.57 0.68 -2.16 0.00 0.00 0.00 175.10 174.57 1rmj s PRO 28 N -0.31 3.88 -0.06 2.72 0.04 -1.26 -2.49 135.00 137.52 1rmj s PRO 28 Ca 0.02 0.48 0.02 0.00 0.04 0.00 0.00 61.00 61.57 1rmj s PRO 28 Cb -0.13 -2.49 -0.03 0.00 0.04 0.00 0.00 34.50 31.89 1rmj s PRO 28 CO 0.03 0.16 -0.10 0.54 0.04 0.00 0.00 177.00 177.67 1rmj s ASN 29 N -2.52 4.39 0.08 6.66 2.20 -1.25 -4.82 114.94 119.68 1rmj s ASN 29 Ca 0.51 -0.09 0.06 0.00 -0.94 0.00 0.00 52.86 52.40 1rmj s ASN 29 Cb -0.10 -1.03 -0.03 0.00 -2.00 0.00 0.00 41.25 38.08 1rmj s ASN 29 CO 0.22 0.36 -0.15 0.00 -2.94 0.00 0.00 177.10 174.58 1rmj s ASP 31 N -1.86 4.87 0.62 0.00 2.15 -1.18 -4.79 116.67 116.48 1rmj s ASP 31 Ca 0.01 -1.02 0.25 0.00 0.43 0.00 0.00 52.55 52.22 1rmj s ASP 31 Cb -0.09 0.18 1.21 0.00 -0.30 0.00 0.00 42.92 43.92 1rmj s ASP 31 CO 0.03 -1.09 1.67 0.45 -0.17 0.00 0.00 175.17 176.06 1rmj h HIS 32 N 0.62 0.00 -0.02 -5.34 3.86 -1.96 0.52 115.15 112.85 1rmj h HIS 32 Ca -0.36 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 58.85 1rmj h HIS 32 Cb 1.29 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.76 1rmj h HIS 32 CO 0.72 0.00 0.00 -2.13 0.86 0.00 0.00 177.93 177.38 1rmj n ARG 33 N -3.22 1.23 -0.76 2.45 3.00 -1.26 0.19 116.66 118.27 1rmj n ARG 33 Ca 0.07 -0.33 0.00 0.00 -0.00 0.00 0.00 57.85 57.59 1rmj n ARG 33 Cb 0.80 -1.46 0.00 0.00 0.00 0.00 0.00 32.46 31.80 1rmj n ARG 33 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1rmj n GLY 34 N 1.03 0.34 3.95 5.14 0.00 0.18 -2.60 105.19 113.24 1rmj n GLY 34 Ca 0.21 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.99 1rmj n GLY 34 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1rmj s PHE 35 N -1.98 2.85 -0.82 1.61 0.08 -1.26 -0.49 117.98 117.97 1rmj s PHE 35 Ca 0.00 0.21 -0.25 0.00 0.12 0.00 0.00 56.93 57.01 1rmj s PHE 35 Cb 0.00 -2.99 -0.03 0.00 -0.57 0.00 0.00 43.02 39.43 1rmj s PHE 35 CO 0.00 -1.17 1.87 0.71 -0.10 0.00 0.00 175.22 176.53 1rmj s TYR 36 N -3.02 1.82 -0.05 0.36 2.02 -1.06 -3.13 117.35 114.29 1rmj s TYR 36 Ca 0.59 0.57 -0.01 0.00 -0.37 0.00 0.00 57.07 57.85 1rmj s TYR 36 Cb -0.10 -4.11 -0.01 0.00 -0.40 0.00 0.00 41.96 37.34 1rmj s TYR 36 CO 0.42 -1.94 0.08 -0.09 -1.57 0.00 0.00 175.55 172.45 1rmj h ARG 37 N 12.30 -0.04 0.00 -0.62 9.65 -1.69 -3.23 114.38 130.75 1rmj h ARG 37 Ca -0.02 0.00 -0.35 0.00 -1.10 0.00 0.00 59.98 58.52 1rmj h ARG 37 Cb 1.05 0.01 -0.05 0.00 -1.39 0.00 0.00 29.97 29.59 1rmj h ARG 37 CO 1.23 -0.03 -2.08 1.17 2.80 0.00 0.00 179.97 183.06 1rmj n LYS 38 N -3.43 0.57 -4.67 0.20 4.81 -1.26 -3.91 118.16 110.47 1rmj n LYS 38 Ca -0.01 0.30 -0.30 0.00 -0.87 0.00 0.00 58.31 57.43 1rmj n LYS 38 Cb 0.02 -1.52 -0.10 0.00 0.02 0.00 0.00 35.03 33.45 1rmj n LYS 38 CO 0.00 0.00 0.00 -0.98 1.17 0.00 0.00 177.40 177.59 1rmj s ARG 39 N -2.55 2.05 -0.06 1.64 1.70 -1.26 0.16 118.95 120.62 1rmj s ARG 39 Ca -0.35 -2.22 -0.03 0.00 -0.47 0.00 0.00 55.73 52.66 1rmj s ARG 39 Cb 0.12 -1.60 0.04 0.00 -0.57 0.00 0.00 34.95 32.94 1rmj s ARG 39 CO 0.48 -0.17 0.13 -0.65 -1.08 0.00 0.00 175.30 174.01 1rmj s GLN 40 N -3.77 0.02 -0.01 3.89 -1.52 0.96 -3.75 119.66 115.48 1rmj s GLN 40 Ca 0.24 0.44 0.03 0.00 -1.95 0.00 0.00 55.36 54.12 1rmj s GLN 40 Cb 0.07 -0.28 -0.01 0.00 -0.22 0.00 0.00 33.01 32.57 1rmj s GLN 40 CO 0.12 -0.25 -0.10 0.00 -0.25 0.00 0.00 175.29 174.81 1rmj s ARG 42 N -0.21 3.99 -0.05 0.00 0.52 -1.00 0.04 118.95 122.24 1rmj s ARG 42 Ca 0.03 -0.24 0.03 0.00 -0.52 0.00 0.00 55.73 55.04 1rmj s ARG 42 Cb -0.04 -3.63 0.00 0.00 0.52 0.00 0.00 34.95 31.80 1rmj s ARG 42 CO -0.00 -0.15 -0.13 -1.12 0.02 0.00 0.00 175.30 173.92 1rmj s SER 43 N 1.59 1.76 0.37 0.23 0.01 -0.93 -3.36 113.70 113.37 1rmj s SER 43 Ca 0.09 -0.29 0.08 0.00 1.31 0.00 0.00 55.95 57.14 1rmj s SER 43 Cb -0.15 -0.60 -0.04 0.00 0.21 0.00 0.00 66.02 65.44 1rmj s SER 43 CO 0.10 0.09 0.20 -0.44 0.41 0.00 0.00 173.24 173.59 1rmj s SER 44 N 0.29 4.73 0.35 2.44 0.01 -1.19 -0.34 113.70 119.99 1rmj s SER 44 Ca -0.07 -0.81 0.10 0.00 1.31 0.00 0.00 55.95 56.48 1rmj s SER 44 Cb -0.12 -0.67 0.87 0.00 0.21 0.00 0.00 66.02 66.31 1rmj s SER 44 CO 0.02 -0.41 1.81 0.06 0.41 0.00 0.00 173.24 175.13 1rmj h GLN 45 N 1.42 0.62 0.00 12.44 -0.00 -1.94 -3.44 115.11 124.22 1rmj h GLN 45 Ca -0.43 -0.04 0.00 0.00 -0.00 0.00 0.00 58.65 58.18 1rmj h GLN 45 Cb 1.25 -0.14 0.00 0.00 -0.00 0.00 0.00 27.48 28.59 1rmj h GLN 45 CO 0.63 0.41 0.00 0.41 -0.00 0.00 0.00 178.83 180.28 1rmj n GLY 46 N -1.41 5.33 1.90 0.06 0.00 -1.26 -5.00 105.19 104.82 1rmj n GLY 46 Ca 0.22 -1.40 -0.17 0.00 0.00 0.00 0.00 46.02 44.66 1rmj n GLY 46 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1rmj n GLN 47 N 0.00 1.96 0.25 1.61 10.64 -1.26 -4.52 117.38 126.05 1rmj n GLN 47 Ca 0.00 -2.22 -0.14 0.00 -1.83 0.00 0.00 57.00 52.80 1rmj n GLN 47 Cb 0.00 -1.87 -0.08 0.00 -0.86 0.00 0.00 30.24 27.43 1rmj n GLN 47 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 1rmj h ARG 48 N 0.78 -0.63 -2.33 2.61 3.08 -1.94 -3.43 114.38 112.52 1rmj h ARG 48 Ca 0.46 0.04 -0.32 0.00 0.07 0.00 0.00 59.98 60.23 1rmj h ARG 48 Cb 2.37 0.14 -0.34 0.00 0.08 0.00 0.00 29.97 32.22 1rmj h ARG 48 CO 0.81 -0.32 -0.63 0.50 -1.07 0.00 0.00 179.97 179.26 1rmj s ARG 49 N -4.87 0.26 0.00 0.04 3.52 -1.26 -5.07 118.95 111.57 1rmj s ARG 49 Ca -0.15 0.03 0.00 0.00 -0.13 0.00 0.00 55.73 55.48 1rmj s ARG 49 Cb 0.02 -0.91 0.00 0.00 -1.56 0.00 0.00 34.95 32.50 1rmj s ARG 49 CO 0.51 -0.84 0.00 0.41 -0.81 0.00 0.00 175.30 174.57 1rmj n GLY 50 N 5.31 0.59 3.59 8.12 0.00 -1.26 -3.18 105.19 118.37 1rmj n GLY 50 Ca -0.04 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.75 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 2.75 2.11 0.09 1.61 0.04 -1.21 -4.59 135.00 135.80 1rmj s PRO 51 Ca 0.00 -1.51 -0.09 0.00 0.04 0.00 0.00 61.00 59.44 1rmj s PRO 51 Cb 0.00 -2.05 -0.06 0.00 0.04 0.00 0.00 34.50 32.43 1rmj s PRO 51 CO 0.00 0.36 0.41 0.00 0.04 0.00 0.00 177.00 177.81 1rmj s TRP 53 N -1.45 0.84 0.30 0.00 -2.14 0.75 -4.96 118.94 112.28 1rmj s TRP 53 Ca 0.35 -1.20 -0.15 0.00 2.66 0.00 0.00 56.10 57.76 1rmj s TRP 53 Cb -0.14 -0.44 -0.09 0.00 -3.10 0.00 0.00 33.47 29.70 1rmj s TRP 53 CO 0.19 -0.55 0.71 0.00 -2.66 0.00 0.00 176.95 174.64 1rmj s VAL 55 N -1.90 0.02 0.88 0.00 -7.23 0.41 -0.78 120.40 111.79 1rmj s VAL 55 Ca 0.52 -1.61 -0.09 0.00 -1.81 0.00 0.00 61.98 58.99 1rmj s VAL 55 Cb -0.11 -2.21 0.19 0.00 0.56 0.00 0.00 36.38 34.81 1rmj s VAL 55 CO 0.18 -0.08 1.20 1.51 -0.31 0.00 0.00 175.10 177.60 1rmj s ASP 56 N -3.05 3.49 0.56 4.85 -4.77 -0.75 -4.22 116.67 112.78 1rmj s ASP 56 Ca 0.26 -0.12 0.33 0.00 -3.30 0.00 0.00 52.55 49.72 1rmj s ASP 56 Cb 0.03 0.01 1.47 0.00 -1.09 0.00 0.00 42.92 43.33 1rmj s ASP 56 CO 0.08 -2.46 1.80 0.08 0.70 0.00 0.00 175.17 175.36 1rmj h ARG 57 N -1.22 0.00 0.00 2.11 0.11 -1.67 0.40 114.38 114.11 1rmj h ARG 57 Ca -0.40 0.00 -0.01 0.00 0.10 0.00 0.00 59.98 59.67 1rmj h ARG 57 Cb 1.24 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 32.32 1rmj h ARG 57 CO 0.35 0.00 -0.37 0.52 0.10 0.00 0.00 179.97 180.57 1rmj h MET 58 N 0.00 0.00 0.00 0.08 2.86 -1.91 -2.81 114.93 113.15 1rmj h MET 58 Ca 0.44 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 58.08 1rmj h MET 58 Cb 1.95 0.00 0.00 0.00 0.06 0.00 0.00 31.60 33.61 1rmj h MET 58 CO -0.00 0.05 0.00 0.41 1.06 0.00 0.00 176.91 178.42 1rmj n GLY 59 N 1.14 1.16 3.76 8.32 0.00 0.14 -4.72 105.19 114.99 1rmj n GLY 59 Ca 0.02 0.00 -0.40 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 -0.47 4.47 -0.40 1.61 2.20 -1.26 -4.73 119.74 121.16 1rmj s LYS 60 Ca 0.00 1.02 -0.36 0.00 -0.36 0.00 0.00 55.97 56.27 1rmj s LYS 60 Cb 0.00 -3.33 -0.13 0.00 -1.51 0.00 0.00 37.83 32.86 1rmj s LYS 60 CO 0.00 0.37 2.20 0.43 -0.36 0.00 0.00 175.35 177.99 1rmj n SER 61 N 2.51 1.81 -4.45 1.43 7.64 -1.26 -1.80 113.62 119.50 1rmj n SER 61 Ca -0.04 0.43 -0.44 0.00 1.01 0.00 0.00 58.87 59.83 1rmj n SER 61 Cb 0.50 -1.19 -0.06 0.00 -1.01 0.00 0.00 64.21 62.45 1rmj n SER 61 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1rmj s LEU 62 N 7.25 4.92 0.00 -3.43 1.43 0.04 -4.87 118.68 124.02 1rmj s LEU 62 Ca 1.12 -0.91 0.00 0.00 -1.03 0.00 0.00 54.13 53.31 1rmj s LEU 62 Cb -0.97 -2.47 0.00 0.00 0.03 0.00 0.00 46.19 42.78 1rmj s LEU 62 CO 0.52 -0.95 0.00 -0.81 0.23 0.00 0.00 176.35 175.34 1rmj n PRO 63 N 6.32 1.74 0.00 1.29 -0.04 -1.26 -4.71 135.00 138.34 1rmj n PRO 63 Ca -0.06 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.40 1rmj n PRO 63 Cb 0.45 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.91 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 4.64 -2.35 3.64 0.55 0.00 -1.26 -4.88 105.19 105.53 1rmj n GLY 64 Ca 0.00 -1.67 -0.24 0.00 0.00 0.00 0.00 46.02 44.10 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 -3.00 4.24 0.31 1.61 0.01 -1.26 -4.95 113.70 110.66 1rmj s SER 65 Ca 0.00 -0.95 0.10 0.00 1.31 0.00 0.00 55.95 56.41 1rmj s SER 65 Cb 0.00 -0.56 0.49 0.00 0.21 0.00 0.00 66.02 66.16 1rmj s SER 65 CO 0.00 -0.23 1.70 1.55 0.41 0.00 0.00 173.24 176.67 1rmj h PRO 66 N 1.79 0.05 0.00 12.44 0.13 -1.90 0.22 132.00 144.74 1rmj h PRO 66 Ca -0.43 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 1rmj h PRO 66 Cb 1.25 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.38 1rmj h PRO 66 CO 0.66 0.54 0.00 -0.40 -0.23 0.00 0.00 178.00 178.57 1rmj n ASP 67 N -3.95 0.00 0.05 1.44 5.75 -1.26 -1.79 116.55 116.79 1rmj n ASP 67 Ca -0.02 -0.13 0.00 0.00 -0.01 0.00 0.00 54.79 54.64 1rmj n ASP 67 Cb 0.52 -0.21 0.00 0.00 -1.03 0.00 0.00 41.12 40.40 1rmj n ASP 67 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1rmj n GLY 68 N 0.23 -0.09 0.95 6.12 0.00 -0.96 -4.83 105.19 106.61 1rmj n GLY 68 Ca 0.10 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.20 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 -3.08 2.74 -0.34 1.61 5.15 0.74 -4.57 115.26 117.52 1rmj n ASN 69 Ca 0.00 -2.00 0.04 0.00 -0.60 0.00 0.00 54.58 52.02 1rmj n ASN 69 Cb 0.00 -0.34 0.11 0.00 -0.53 0.00 0.00 39.78 39.02 1rmj n ASN 69 CO 0.00 0.00 0.00 1.23 1.40 0.00 0.00 177.26 179.89 1rmj h GLY 70 N 4.88 0.57 0.97 8.20 0.00 -1.11 1.20 103.07 117.78 1rmj h GLY 70 Ca 0.00 0.35 0.01 0.00 0.00 0.00 0.00 47.33 47.69 1rmj h GLY 70 CO 0.00 -0.33 0.56 1.76 0.00 0.00 0.00 176.54 178.52 1rmj h SER 71 N -0.01 0.95 0.00 0.19 0.02 -1.80 -3.05 113.55 109.86 1rmj h SER 71 Ca 0.43 -0.02 -0.00 0.00 -0.84 0.00 0.00 61.79 61.36 1rmj h SER 71 Cb 0.67 -0.23 0.00 0.00 0.14 0.00 0.00 62.40 62.98 1rmj h SER 71 CO -0.97 0.68 -0.00 0.28 -1.14 0.00 0.00 176.83 175.68 1rmj h SER 72 N 1.12 -0.00 0.00 3.07 0.02 -0.68 -3.45 113.55 113.63 1rmj h SER 72 Ca 0.32 -0.85 0.00 0.00 -0.84 0.00 0.00 61.79 60.42 1rmj h SER 72 Cb -0.10 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.44 1rmj h SER 72 CO -0.08 0.91 0.00 -1.54 -1.14 0.00 0.00 176.83 174.98 1rmj n SER 73 N -4.64 0.00 -3.67 3.07 3.41 0.37 -4.23 113.62 107.93 1rmj n SER 73 Ca -0.09 0.00 -0.10 0.00 -0.26 0.00 0.00 58.87 58.42 1rmj n SER 73 Cb 0.41 0.00 -0.09 0.00 -0.26 0.00 0.00 64.21 64.27 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 6.57 0.12 -5.42 0.00 0.13 -1.89 -3.41 132.00 128.10 1rmj h PRO 75 Ca -0.32 -0.21 -0.65 0.00 -0.87 0.00 0.00 66.00 63.95 1rmj h PRO 75 Cb 1.20 0.08 -0.13 0.00 0.13 0.00 0.00 31.00 32.27 1rmj h PRO 75 CO 0.21 1.10 -0.55 0.95 -0.23 0.00 0.00 178.00 179.48 1rmj s THR 76 N -2.38 1.56 0.00 1.56 -4.23 -1.26 -4.96 115.64 105.93 1rmj s THR 76 Ca -0.22 -1.99 0.00 0.00 -1.18 0.00 0.00 61.69 58.30 1rmj s THR 76 Cb 0.03 -2.55 0.00 0.00 1.34 0.00 0.00 72.50 71.32 1rmj s THR 76 CO 0.70 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 175.39 1rmj n GLY 77 N -1.14 0.75 1.72 3.99 0.00 -1.26 -5.08 105.19 104.18 1rmj n GLY 77 Ca -0.12 -0.01 -0.10 0.00 0.00 0.00 0.00 46.02 45.78 1rmj n GLY 77 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1rmj n SER 78 N 0.00 1.32 0.02 1.61 7.64 -1.26 -5.02 113.62 117.93 1rmj n SER 78 Ca 0.00 -1.76 -0.11 0.00 1.01 0.00 0.00 58.87 58.01 1rmj n SER 78 Cb 0.00 -0.11 -0.06 0.00 -1.01 0.00 0.00 64.21 63.03 1rmj n SER 78 CO 0.00 0.00 0.00 0.77 -3.01 0.00 0.00 175.04 172.80 1rmj h SER 79 N 0.16 -0.10 0.00 6.43 4.64 -2.05 -3.55 113.55 119.07 1rmj h SER 79 Ca -0.14 0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.21 1rmj h SER 79 Cb 0.56 0.05 0.00 0.00 -0.31 0.00 0.00 62.40 62.70 1rmj h SER 79 CO 0.20 -0.04 0.00 0.61 -0.87 0.00 0.00 176.83 176.73