#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rmj s TYR -26 N 0.00 2.83 -0.49 1.43 1.51 -1.26 -4.74 117.35 116.63 1rmj s TYR -26 Ca 0.00 -0.30 -0.04 0.00 -1.01 0.00 0.00 57.07 55.72 1rmj s TYR -26 Cb 0.00 -1.76 0.01 0.00 -0.11 0.00 0.00 41.96 40.10 1rmj s TYR -26 CO 0.00 0.06 0.08 2.48 -1.11 0.00 0.00 175.55 177.05 1rmj n TYR -25 N 2.85 -0.44 -2.03 2.71 0.18 -1.26 -4.75 117.16 114.42 1rmj n TYR -25 Ca -0.18 0.14 -0.42 0.00 1.88 0.00 0.00 57.90 59.32 1rmj n TYR -25 Cb 0.53 -0.94 -0.03 0.00 -0.38 0.00 0.00 39.34 38.52 1rmj n TYR -25 CO 0.00 0.00 0.00 -1.58 -2.08 0.00 0.00 176.86 173.20 1rmj s HIS -24 N -3.82 2.31 -0.31 -3.48 2.46 -1.26 -4.97 115.29 106.22 1rmj s HIS -24 Ca 0.06 0.37 -0.02 0.00 0.47 0.00 0.00 55.06 55.94 1rmj s HIS -24 Cb -0.03 -3.87 0.11 0.00 -0.13 0.00 0.00 32.58 28.65 1rmj s HIS -24 CO 0.34 -3.54 0.13 -1.58 -2.47 0.00 0.00 174.74 167.62 1rmj s HIS -23 N 3.26 1.08 0.37 3.88 5.04 -1.26 -5.12 115.29 122.54 1rmj s HIS -23 Ca 0.71 -1.43 -0.28 0.00 -1.54 0.00 0.00 55.06 52.53 1rmj s HIS -23 Cb -0.35 -1.33 -0.11 0.00 0.04 0.00 0.00 32.58 30.83 1rmj s HIS -23 CO 0.29 -0.85 1.47 1.58 -2.34 0.00 0.00 174.74 174.90 1rmj n HIS -22 N 4.86 2.90 -4.20 3.88 -0.00 -1.26 -4.98 115.22 116.42 1rmj n HIS -22 Ca -0.02 0.45 -0.34 0.00 0.46 0.00 0.00 57.72 58.27 1rmj n HIS -22 Cb 0.41 -2.52 -0.11 0.00 -0.12 0.00 0.00 29.99 27.65 1rmj n HIS -22 CO 0.00 0.00 0.00 -1.58 0.46 0.00 0.00 176.34 175.22 1rmj s HIS -21 N -1.04 3.15 0.00 1.57 2.46 -1.26 -5.00 115.29 115.17 1rmj s HIS -21 Ca 0.54 -0.07 0.00 0.00 0.47 0.00 0.00 55.06 56.00 1rmj s HIS -21 Cb -0.49 -2.01 0.00 0.00 -0.13 0.00 0.00 32.58 29.95 1rmj s HIS -21 CO 0.63 0.10 0.00 1.58 -2.47 0.00 0.00 174.74 174.57 1rmj n HIS -20 N 3.44 -1.53 -2.75 3.88 -0.00 -1.26 -4.95 115.22 112.04 1rmj n HIS -20 Ca -0.17 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.01 1rmj n HIS -20 Cb 0.52 0.18 0.00 0.00 -0.12 0.00 0.00 29.99 30.58 1rmj n HIS -20 CO 0.00 0.00 0.00 0.72 0.46 0.00 0.00 176.34 177.52 1rmj n HIS -19 N -1.14 -0.58 -0.05 1.57 -0.00 -1.26 -5.01 115.22 108.75 1rmj n HIS -19 Ca 0.00 0.00 -0.07 0.00 -0.00 0.00 0.00 57.72 57.65 1rmj n HIS -19 Cb 0.00 0.00 0.10 0.00 -0.00 0.00 0.00 29.99 30.09 1rmj n HIS -19 CO 0.00 0.00 0.00 0.38 -0.00 0.00 0.00 176.34 176.72 1rmj h ASP -18 N 0.00 0.70 -1.22 0.41 2.03 -2.05 -3.30 116.42 112.99 1rmj h ASP -18 Ca 0.00 -0.28 -0.69 0.00 -0.73 0.00 0.00 57.03 55.33 1rmj h ASP -18 Cb 0.00 -0.19 -0.11 0.00 -0.83 0.00 0.00 39.33 38.20 1rmj h ASP -18 CO 0.00 0.96 1.94 -0.72 -1.03 0.00 0.00 179.24 180.39 1rmj s TYR -17 N -4.45 2.96 -2.00 4.15 -0.85 -1.26 -4.78 117.35 111.12 1rmj s TYR -17 Ca -0.08 -1.72 0.08 0.00 -0.52 0.00 0.00 57.07 54.82 1rmj s TYR -17 Cb 0.13 -4.64 0.47 0.00 0.38 0.00 0.00 41.96 38.30 1rmj s TYR -17 CO 0.83 -1.71 1.06 -3.47 -1.52 0.00 0.00 175.55 170.74 1rmj n ASP -16 N 7.70 0.00 -3.69 -0.18 2.03 -1.25 -4.52 116.55 116.65 1rmj n ASP -16 Ca 0.45 -1.16 -0.28 0.00 0.52 0.00 0.00 54.79 54.32 1rmj n ASP -16 Cb 0.45 0.00 -0.16 0.00 -0.72 0.00 0.00 41.12 40.69 1rmj n ASP -16 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 1rmj s ILE -15 N -2.00 0.35 -1.04 5.18 1.01 -1.26 -5.04 121.20 118.40 1rmj s ILE -15 Ca 0.12 -0.55 -0.24 0.00 0.00 0.00 0.00 60.65 59.98 1rmj s ILE -15 Cb 0.05 -0.97 -0.07 0.00 0.01 0.00 0.00 42.46 41.49 1rmj s ILE -15 CO 0.09 -0.32 1.95 -2.16 0.00 0.00 0.00 174.94 174.50 1rmj s PRO -14 N 1.93 2.51 -0.19 2.79 0.04 -1.26 -4.91 135.00 135.91 1rmj s PRO -14 Ca 0.02 -0.71 0.01 0.00 0.04 0.00 0.00 61.00 60.36 1rmj s PRO -14 Cb -0.17 -5.15 0.03 0.00 0.04 0.00 0.00 34.50 29.25 1rmj s PRO -14 CO -0.12 -3.70 -0.18 0.95 0.04 0.00 0.00 177.00 173.98 1rmj s THR -13 N 10.64 2.04 -0.01 1.26 -4.23 -1.26 -4.99 115.64 119.10 1rmj s THR -13 Ca 0.70 -1.02 -0.15 0.00 -1.18 0.00 0.00 61.69 60.04 1rmj s THR -13 Cb -0.04 -1.90 -0.34 0.00 1.34 0.00 0.00 72.50 71.57 1rmj s THR -13 CO 0.06 0.45 0.86 0.74 -0.54 0.00 0.00 174.62 176.20 1rmj h THR -12 N 6.07 1.17 0.00 3.99 2.02 -2.05 -3.25 112.91 120.86 1rmj h THR -12 Ca -0.42 -2.61 0.00 0.00 0.77 0.00 0.00 66.41 64.15 1rmj h THR -12 Cb 1.13 2.95 0.00 0.00 -1.74 0.00 0.00 68.15 70.49 1rmj h THR -12 CO 0.61 0.82 0.00 -0.62 0.37 0.00 0.00 175.52 176.69 1rmj n GLU -11 N -3.72 0.31 0.33 6.66 4.71 -1.26 -2.94 120.64 124.74 1rmj n GLU -11 Ca -0.20 0.10 0.22 0.00 -0.01 0.00 0.00 57.16 57.27 1rmj n GLU -11 Cb 1.07 -1.50 1.13 0.00 -1.01 0.00 0.00 31.44 31.12 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 0.00 0.84 1.62 -0.00 -1.98 0.88 115.58 116.94 1rmj h ASN -10 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 56.30 56.30 1rmj h ASN -10 Cb 0.13 0.00 0.00 0.00 -0.00 0.00 0.00 38.32 38.45 1rmj h ASN -10 CO 0.00 0.00 0.00 0.18 -0.00 0.00 0.00 177.43 177.61 1rmj n LEU -9 N -3.12 0.29 -0.77 0.34 7.99 -1.15 -2.83 117.00 117.76 1rmj n LEU -9 Ca -0.02 0.55 0.10 0.00 -0.01 0.00 0.00 56.01 56.62 1rmj n LEU -9 Cb 0.11 -0.49 0.28 0.00 -0.11 0.00 0.00 43.42 43.21 1rmj n LEU -9 CO 0.22 -0.25 0.72 -1.22 -1.51 0.00 0.00 177.39 175.35 1rmj n TYR -8 N -1.80 0.41 -1.63 -1.77 4.01 0.30 -4.84 117.16 111.85 1rmj n TYR -8 Ca 0.04 -0.20 -0.26 0.00 -0.16 0.00 0.00 57.90 57.32 1rmj n TYR -8 Cb 0.27 0.00 -0.05 0.00 -0.31 0.00 0.00 39.34 39.25 1rmj n TYR -8 CO 0.00 0.00 0.00 -0.06 -0.46 0.00 0.00 176.86 176.34 1rmj s PHE -7 N -1.59 1.18 -0.79 -0.72 0.40 -1.13 -4.86 117.98 110.47 1rmj s PHE -7 Ca 0.33 1.65 -0.06 0.00 -0.60 0.00 0.00 56.93 58.24 1rmj s PHE -7 Cb 0.18 -3.58 0.20 0.00 0.51 0.00 0.00 43.02 40.33 1rmj s PHE -7 CO 0.25 -2.05 0.67 -0.65 0.70 0.00 0.00 175.22 174.15 1rmj s GLN -6 N 8.39 3.18 0.00 0.44 -0.21 -1.26 -4.94 119.66 125.26 1rmj s GLN -6 Ca 0.92 -2.75 0.00 0.00 0.02 0.00 0.00 55.36 53.55 1rmj s GLN -6 Cb -0.14 -4.06 0.00 0.00 1.00 0.00 0.00 33.01 29.81 1rmj s GLN -6 CO 0.16 -1.23 0.00 0.41 -2.12 0.00 0.00 175.29 172.51 1rmj n GLY -5 N 3.28 0.87 3.65 3.09 0.00 -1.26 -4.91 105.19 109.91 1rmj n GLY -5 Ca 0.14 -0.09 -0.43 0.00 0.00 0.00 0.00 46.02 45.64 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 -3.94 3.65 0.48 4.61 0.00 -1.26 -5.04 121.76 120.26 1rmj s ALA -4 Ca 0.00 0.09 0.07 0.00 0.00 0.00 0.00 51.96 52.12 1rmj s ALA -4 Cb 0.00 -3.54 0.01 0.00 0.00 0.00 0.00 23.12 19.59 1rmj s ALA -4 CO 0.00 -1.12 0.40 0.00 0.00 0.00 0.00 175.76 175.04 1rmj s MET -3 N 3.24 2.37 -0.79 0.00 0.00 -1.26 -4.90 119.30 117.95 1rmj s MET -3 Ca 0.43 -1.77 -0.16 0.00 0.00 0.00 0.00 55.69 54.19 1rmj s MET -3 Cb -0.15 -2.24 -0.12 0.00 0.00 0.00 0.00 34.83 32.32 1rmj s MET -3 CO 0.08 -0.40 1.96 0.41 0.00 0.00 0.00 175.02 177.07 1rmj n GLY -2 N -1.65 2.71 3.06 3.16 0.00 0.93 -4.65 105.19 108.76 1rmj n GLY -2 Ca 0.02 -1.11 -0.14 0.00 0.00 0.00 0.00 46.02 44.79 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 6.38 -2.58 -4.88 1.61 7.64 -1.26 -4.47 113.62 116.05 1rmj n SER -1 Ca 0.47 -0.46 -0.21 0.00 1.01 0.00 0.00 58.87 59.68 1rmj n SER -1 Cb 0.31 -0.84 -0.03 0.00 -1.01 0.00 0.00 64.21 62.64 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 -2.26 2.14 0.31 0.23 0.00 -1.26 -4.89 107.32 101.59 1rmj s GLY 1 Ca 0.03 -1.87 0.10 0.00 0.00 0.00 0.00 44.72 42.98 1rmj s GLY 1 CO 0.47 -1.70 1.71 -0.56 0.00 0.00 0.00 173.10 173.02 1rmj h PRO 2 N 1.00 0.07 -0.44 2.90 0.13 -1.77 -3.20 132.00 130.69 1rmj h PRO 2 Ca -0.41 -0.04 -0.06 0.00 -0.87 0.00 0.00 66.00 64.63 1rmj h PRO 2 Cb 1.27 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.38 1rmj h PRO 2 CO 0.57 0.54 0.05 0.00 -0.23 0.00 0.00 178.00 178.93 1rmj h ARG 4 N 0.59 0.69 -0.38 0.00 1.12 -1.47 0.94 114.38 115.88 1rmj h ARG 4 Ca 0.13 -0.04 -0.08 0.00 -1.11 0.00 0.00 59.98 58.88 1rmj h ARG 4 Cb 0.41 -0.16 -0.01 0.00 -0.01 0.00 0.00 29.97 30.20 1rmj h ARG 4 CO 0.01 0.46 -0.09 0.00 -3.11 0.00 0.00 179.97 177.24 1rmj h ARG 5 N 0.71 0.72 -0.31 0.20 3.08 -1.60 -0.77 114.38 116.41 1rmj h ARG 5 Ca 0.42 -0.27 -0.04 0.00 0.07 0.00 0.00 59.98 60.15 1rmj h ARG 5 Cb 0.47 -0.04 -0.01 0.00 0.08 0.00 0.00 29.97 30.46 1rmj h ARG 5 CO -0.29 0.87 0.02 0.45 -1.07 0.00 0.00 179.97 179.95 1rmj h HIS 6 N 0.53 0.57 0.03 3.04 3.86 -0.39 -1.57 115.15 121.22 1rmj h HIS 6 Ca 0.10 -0.09 0.01 0.00 -1.16 0.00 0.00 60.37 59.23 1rmj h HIS 6 Cb 0.60 -0.15 -0.02 0.00 1.06 0.00 0.00 27.41 28.90 1rmj h HIS 6 CO 0.05 0.64 -0.10 1.25 0.86 0.00 0.00 177.93 180.63 1rmj h LEU 7 N 0.34 -0.27 -0.44 2.43 6.46 0.96 0.64 115.31 125.43 1rmj h LEU 7 Ca 0.09 0.04 0.06 0.00 -0.12 0.00 0.00 57.88 57.95 1rmj h LEU 7 Cb 0.40 0.11 -0.05 0.00 -0.73 0.00 0.00 40.66 40.39 1rmj h LEU 7 CO 0.01 -0.14 0.14 -0.78 -0.62 0.00 0.00 178.44 177.05 1rmj h ASP 8 N -0.18 0.13 -0.08 1.25 1.82 -1.06 0.71 116.42 119.02 1rmj h ASP 8 Ca 0.03 0.06 -0.02 0.00 -0.39 0.00 0.00 57.03 56.70 1rmj h ASP 8 Cb 0.21 0.05 -0.00 0.00 0.68 0.00 0.00 39.33 40.27 1rmj h ASP 8 CO -0.08 0.11 -0.03 0.28 -1.61 0.00 0.00 179.24 177.91 1rmj h SER 9 N 0.30 0.16 -0.08 2.28 0.02 -0.87 -0.14 113.55 115.22 1rmj h SER 9 Ca 0.21 -0.40 -0.02 0.00 -0.84 0.00 0.00 61.79 60.74 1rmj h SER 9 Cb 0.22 -0.04 -0.00 0.00 0.14 0.00 0.00 62.40 62.71 1rmj h SER 9 CO -0.23 0.52 -0.02 0.58 -1.14 0.00 0.00 176.83 176.54 1rmj h VAL 10 N -0.21 1.30 -0.38 2.27 2.07 0.56 -2.50 116.25 119.36 1rmj h VAL 10 Ca 0.02 -0.95 -0.10 0.00 0.82 0.00 0.00 66.70 66.48 1rmj h VAL 10 Cb 0.46 1.78 -0.02 0.00 -1.52 0.00 0.00 31.29 31.99 1rmj h VAL 10 CO 0.01 0.26 -0.18 0.17 0.02 0.00 0.00 177.57 177.86 1rmj h LEU 11 N -0.19 0.72 0.06 2.57 8.10 0.37 0.38 115.31 127.32 1rmj h LEU 11 Ca 0.02 -0.23 -0.00 0.00 0.11 0.00 0.00 57.88 57.77 1rmj h LEU 11 Cb 0.43 -0.19 0.00 0.00 -0.44 0.00 0.00 40.66 40.46 1rmj h LEU 11 CO 0.01 0.90 -0.03 1.56 -4.11 0.00 0.00 178.44 176.77 1rmj h GLN 12 N 0.64 -0.07 0.00 0.17 1.08 -1.00 -2.12 115.11 113.81 1rmj h GLN 12 Ca 0.10 0.01 -0.00 0.00 -1.45 0.00 0.00 58.65 57.30 1rmj h GLN 12 Cb 0.66 0.02 0.00 0.00 -0.05 0.00 0.00 27.48 28.10 1rmj h GLN 12 CO 0.05 0.26 -0.00 0.37 -0.95 0.00 0.00 178.83 178.56 1rmj h GLN 13 N -0.42 -0.01 -0.04 1.46 4.15 -1.44 -3.22 115.11 115.60 1rmj h GLN 13 Ca -0.01 0.00 -0.02 0.00 0.77 0.00 0.00 58.65 59.39 1rmj h GLN 13 Cb 0.37 0.00 -0.00 0.00 0.21 0.00 0.00 27.48 28.06 1rmj h GLN 13 CO 0.01 0.66 -0.06 -0.07 -1.93 0.00 0.00 178.83 177.45 1rmj h LEU 14 N -0.99 0.12 -2.65 -2.39 3.38 -0.39 -0.98 115.31 111.40 1rmj h LEU 14 Ca -0.00 -0.53 -0.00 0.00 0.09 0.00 0.00 57.88 57.44 1rmj h LEU 14 Cb 0.67 -0.03 -0.00 0.00 0.09 0.00 0.00 40.66 41.39 1rmj h LEU 14 CO 0.00 0.62 -0.01 -0.61 0.09 0.00 0.00 178.44 178.53 1rmj h GLN 15 N -0.39 0.00 0.00 1.13 4.15 -1.11 1.02 115.11 119.92 1rmj h GLN 15 Ca 0.00 0.00 -0.05 0.00 0.77 0.00 0.00 58.65 59.37 1rmj h GLN 15 Cb 0.60 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 28.28 1rmj h GLN 15 CO 0.01 0.01 -0.28 1.15 -1.93 0.00 0.00 178.83 177.80 1rmj h THR 16 N 0.00 1.58 -0.42 2.39 2.02 -1.52 -3.35 112.91 113.62 1rmj h THR 16 Ca -0.00 -2.29 0.00 0.00 0.77 0.00 0.00 66.41 64.89 1rmj h THR 16 Cb 0.07 3.10 0.00 0.00 -1.74 0.00 0.00 68.15 69.57 1rmj h THR 16 CO 0.00 0.54 0.00 -0.62 0.37 0.00 0.00 175.52 175.81 1rmj n GLU 17 N -4.57 2.45 -0.09 6.66 -0.58 -0.39 -4.62 120.64 119.50 1rmj n GLU 17 Ca -0.15 -2.26 -0.14 0.00 -0.42 0.00 0.00 57.16 54.20 1rmj n GLU 17 Cb 0.52 -1.48 -0.05 0.00 -0.57 0.00 0.00 31.44 29.87 1rmj n GLU 17 CO 0.00 0.00 0.00 0.28 -0.48 0.00 0.00 177.13 176.93 1rmj n VAL 18 N 1.36 1.40 0.22 2.62 0.31 0.35 -4.66 118.33 119.94 1rmj n VAL 18 Ca 0.19 0.01 0.09 0.00 -0.01 0.00 0.00 64.34 64.62 1rmj n VAL 18 Cb 0.57 -2.09 0.50 0.00 -0.91 0.00 0.00 33.84 31.91 1rmj n VAL 18 CO 0.00 0.00 0.00 1.88 -1.32 0.00 0.00 176.83 177.39 1rmj h TYR 19 N -0.84 0.00 0.00 3.52 -1.99 -1.68 -1.53 116.97 114.44 1rmj h TYR 19 Ca -0.20 0.00 -0.06 0.00 2.00 0.00 0.00 58.73 60.46 1rmj h TYR 19 Cb 1.08 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 39.80 1rmj h TYR 19 CO -0.26 0.00 -0.43 0.07 -0.00 0.00 0.00 178.16 177.54 1rmj h ARG 20 N 0.00 0.00 0.00 4.88 0.11 -1.83 -3.35 114.38 114.19 1rmj h ARG 20 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 1rmj h ARG 20 Cb 0.63 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.71 1rmj h ARG 20 CO 0.00 0.62 0.00 0.41 0.10 0.00 0.00 179.97 181.10 1rmj n GLY 21 N 1.60 -0.34 0.00 0.08 0.00 -1.17 -4.83 105.19 100.54 1rmj n GLY 21 Ca -0.13 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.89 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 -0.07 0.00 -0.26 4.61 0.00 -0.58 -5.05 120.51 119.15 1rmj n ALA 22 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1rmj n ALA 22 Cb 0.13 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.58 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 -0.05 0.00 -2.66 0.00 6.02 -1.26 -5.03 117.38 114.40 1rmj n GLN 23 Ca 0.00 0.00 -0.05 0.00 -0.01 0.00 0.00 57.00 56.94 1rmj n GLN 23 Cb 0.00 0.00 0.04 0.00 1.02 0.00 0.00 30.24 31.30 1rmj n GLN 23 CO 0.00 0.00 0.00 2.41 -1.01 0.00 0.00 177.06 178.46 1rmj n THR 24 N -2.11 0.00 -2.14 5.09 -1.04 -1.23 -4.14 114.28 108.72 1rmj n THR 24 Ca 0.00 -0.98 -0.42 0.00 -2.04 0.00 0.00 64.05 60.61 1rmj n THR 24 Cb 0.00 0.75 -0.03 0.00 -1.82 0.00 0.00 70.33 69.23 1rmj n THR 24 CO 0.00 0.00 0.00 -0.22 -0.64 0.00 0.00 175.07 174.21 1rmj s LEU 25 N -2.58 4.36 0.17 -4.42 0.20 0.82 -2.65 118.68 114.58 1rmj s LEU 25 Ca 0.11 2.32 -0.26 0.00 0.69 0.00 0.00 54.13 56.99 1rmj s LEU 25 Cb 0.20 -3.58 -0.08 0.00 -0.43 0.00 0.00 46.19 42.30 1rmj s LEU 25 CO -0.05 -0.70 0.80 -0.72 -0.29 0.00 0.00 176.35 175.40 1rmj s TYR 26 N 1.50 3.91 -0.05 5.38 1.13 -1.25 -0.13 117.35 127.84 1rmj s TYR 26 Ca 0.66 1.67 0.04 0.00 -1.41 0.00 0.00 57.07 58.03 1rmj s TYR 26 Cb -0.37 -2.81 -0.02 0.00 -1.10 0.00 0.00 41.96 37.67 1rmj s TYR 26 CO 0.30 0.49 -0.17 0.08 -2.51 0.00 0.00 175.55 173.74 1rmj s VAL 27 N -1.08 2.83 0.50 -3.49 1.01 0.02 -4.86 120.40 115.33 1rmj s VAL 27 Ca 0.37 -0.80 -0.19 0.00 0.00 0.00 0.00 61.98 61.35 1rmj s VAL 27 Cb -0.23 -2.09 -0.08 0.00 0.00 0.00 0.00 36.38 33.97 1rmj s VAL 27 CO 0.27 0.58 1.02 -2.16 0.00 0.00 0.00 175.10 174.81 1rmj s PRO 28 N -0.57 3.79 -0.08 2.72 0.04 -1.26 -2.72 135.00 136.92 1rmj s PRO 28 Ca 0.08 1.25 -0.00 0.00 0.04 0.00 0.00 61.00 62.37 1rmj s PRO 28 Cb -0.11 -2.10 -0.03 0.00 0.04 0.00 0.00 34.50 32.30 1rmj s PRO 28 CO 0.01 -0.43 -0.06 1.21 0.04 0.00 0.00 177.00 177.77 1rmj s ASN 29 N -2.28 4.67 -0.07 6.66 2.47 0.86 -4.86 114.94 122.39 1rmj s ASN 29 Ca 0.65 -0.04 0.05 0.00 0.42 0.00 0.00 52.86 53.94 1rmj s ASN 29 Cb -0.14 -1.30 -0.01 0.00 -1.45 0.00 0.00 41.25 38.35 1rmj s ASN 29 CO 0.23 0.33 -0.24 0.00 -3.72 0.00 0.00 177.10 173.70 1rmj s ASP 31 N 0.05 3.79 0.65 0.00 1.11 -1.01 -4.75 116.67 116.51 1rmj s ASP 31 Ca -0.10 -0.13 0.19 0.00 0.18 0.00 0.00 52.55 52.69 1rmj s ASP 31 Cb -0.15 -0.09 0.98 0.00 1.07 0.00 0.00 42.92 44.72 1rmj s ASP 31 CO 0.06 -2.26 1.54 1.12 1.18 0.00 0.00 175.17 176.81 1rmj h HIS 32 N -1.01 0.00 -0.05 4.23 2.07 -1.90 0.36 115.15 118.84 1rmj h HIS 32 Ca -0.39 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.13 1rmj h HIS 32 Cb 1.25 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.23 1rmj h HIS 32 CO -0.63 0.00 0.00 2.89 -3.07 0.00 0.00 177.93 177.12 1rmj n ARG 33 N -2.85 1.13 -0.70 5.12 0.00 -1.26 0.31 116.66 118.41 1rmj n ARG 33 Ca 0.01 -0.19 0.00 0.00 -0.00 0.00 0.00 57.85 57.67 1rmj n ARG 33 Cb 0.71 -1.09 0.00 0.00 -0.00 0.00 0.00 32.46 32.09 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 0.63 0.27 3.98 2.89 0.00 0.13 -4.04 105.19 109.05 1rmj n GLY 34 Ca 0.04 0.00 -0.21 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 -1.80 3.09 -1.26 1.61 0.40 -1.26 0.85 117.98 119.62 1rmj s PHE 35 Ca 0.00 -0.03 -0.17 0.00 -0.60 0.00 0.00 56.93 56.12 1rmj s PHE 35 Cb 0.00 -2.26 -0.00 0.00 0.51 0.00 0.00 43.02 41.27 1rmj s PHE 35 CO 0.00 -0.30 2.02 0.66 0.70 0.00 0.00 175.22 178.30 1rmj n TYR 36 N -1.92 3.43 -0.05 0.36 4.02 -1.10 -2.42 117.16 119.49 1rmj n TYR 36 Ca 0.02 -2.58 -0.00 0.00 -0.01 0.00 0.00 57.90 55.33 1rmj n TYR 36 Cb 0.58 -2.42 -0.00 0.00 -0.02 0.00 0.00 39.34 37.48 1rmj n TYR 36 CO 0.00 0.00 0.00 -0.09 -1.01 0.00 0.00 176.86 175.76 1rmj h ARG 37 N 7.11 0.00 0.01 -0.72 2.43 -1.61 -2.17 114.38 119.43 1rmj h ARG 37 Ca 0.48 0.00 -0.30 0.00 -0.81 0.00 0.00 59.98 59.35 1rmj h ARG 37 Cb 0.73 0.00 -0.04 0.00 -0.42 0.00 0.00 29.97 30.24 1rmj h ARG 37 CO 1.73 0.00 -1.64 1.17 -1.51 0.00 0.00 179.97 179.72 1rmj n LYS 38 N -4.69 0.59 -4.35 0.20 4.81 -1.26 -3.73 118.16 109.73 1rmj n LYS 38 Ca -0.01 0.47 -0.29 0.00 -0.87 0.00 0.00 58.31 57.62 1rmj n LYS 38 Cb 0.02 -1.68 -0.12 0.00 0.02 0.00 0.00 35.03 33.27 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 -2.41 1.64 -0.05 1.64 3.00 -1.26 -1.01 118.95 120.49 1rmj s ARG 39 Ca -0.31 -1.29 -0.02 0.00 -1.00 0.00 0.00 55.73 53.11 1rmj s ARG 39 Cb 0.08 -2.01 0.03 0.00 0.00 0.00 0.00 34.95 33.06 1rmj s ARG 39 CO 0.58 0.46 0.08 -0.65 0.00 0.00 0.00 175.30 175.77 1rmj s GLN 40 N -2.23 -0.05 0.00 5.12 -1.52 -0.86 -0.10 119.66 120.03 1rmj s GLN 40 Ca 0.17 0.39 0.00 0.00 -1.95 0.00 0.00 55.36 53.98 1rmj s GLN 40 Cb -0.10 -0.42 -0.00 0.00 -0.22 0.00 0.00 33.01 32.27 1rmj s GLN 40 CO 0.09 -0.30 -0.00 0.00 -0.25 0.00 0.00 175.29 174.83 1rmj s ARG 42 N -0.07 4.45 -0.23 0.00 1.81 -0.58 -0.80 118.95 123.53 1rmj s ARG 42 Ca -0.01 1.26 -0.06 0.00 -1.72 0.00 0.00 55.73 55.20 1rmj s ARG 42 Cb -0.00 -3.50 -0.03 0.00 -0.45 0.00 0.00 34.95 30.97 1rmj s ARG 42 CO -0.00 -0.16 0.04 -1.12 -0.68 0.00 0.00 175.30 173.38 1rmj s SER 43 N 1.03 5.02 0.53 0.23 0.01 0.82 -1.68 113.70 119.66 1rmj s SER 43 Ca 0.46 -0.20 0.00 0.00 1.31 0.00 0.00 55.95 57.53 1rmj s SER 43 Cb -0.19 -1.89 0.02 0.00 0.21 0.00 0.00 66.02 64.18 1rmj s SER 43 CO 0.21 0.00 0.76 -0.94 0.41 0.00 0.00 173.24 173.68 1rmj s SER 44 N 1.37 5.44 0.04 2.44 1.04 -1.26 -0.13 113.70 122.65 1rmj s SER 44 Ca 0.05 0.13 -0.16 0.00 0.48 0.00 0.00 55.95 56.45 1rmj s SER 44 Cb -0.15 -1.12 -0.26 0.00 0.10 0.00 0.00 66.02 64.60 1rmj s SER 44 CO 0.02 -1.03 1.12 1.56 0.98 0.00 0.00 173.24 175.90 1rmj h GLN 45 N 0.13 0.59 0.00 4.02 4.20 -1.72 -3.44 115.11 118.89 1rmj h GLN 45 Ca -0.44 -0.70 0.00 0.00 0.06 0.00 0.00 58.65 57.58 1rmj h GLN 45 Cb 1.28 0.21 0.00 0.00 0.30 0.00 0.00 27.48 29.28 1rmj h GLN 45 CO 0.54 1.29 0.00 0.41 -0.67 0.00 0.00 178.83 180.41 1rmj n GLY 46 N 1.22 1.33 0.38 3.46 0.00 -1.26 -4.92 105.19 105.40 1rmj n GLY 46 Ca -0.12 -1.58 0.07 0.00 0.00 0.00 0.00 46.02 44.39 1rmj n GLY 46 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1rmj n GLN 47 N 0.00 1.49 0.00 1.61 7.27 -1.26 -4.04 117.38 122.45 1rmj n GLN 47 Ca 0.00 -0.74 0.02 0.00 0.07 0.00 0.00 57.00 56.34 1rmj n GLN 47 Cb 0.00 -1.28 0.08 0.00 2.41 0.00 0.00 30.24 31.45 1rmj n GLN 47 CO 0.00 0.00 0.00 -2.13 0.07 0.00 0.00 177.06 175.00 1rmj n ARG 48 N 0.02 0.02 0.00 3.69 0.63 -1.26 -4.85 116.66 114.91 1rmj n ARG 48 Ca 0.12 0.35 0.00 0.00 -0.92 0.00 0.00 57.85 57.40 1rmj n ARG 48 Cb 0.21 -1.50 0.00 0.00 0.45 0.00 0.00 32.46 31.62 1rmj n ARG 48 CO 0.00 0.00 0.00 0.54 -2.51 0.00 0.00 177.63 175.66 1rmj n ARG 49 N -1.39 0.00 -1.24 -0.14 1.74 -1.26 -4.56 116.66 109.81 1rmj n ARG 49 Ca 0.01 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.09 1rmj n ARG 49 Cb 0.03 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.47 1rmj n ARG 49 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1rmj n GLY 50 N 0.00 0.30 3.78 -0.13 0.00 -0.68 -4.69 105.19 103.78 1rmj n GLY 50 Ca 0.00 -1.69 -0.37 0.00 0.00 0.00 0.00 46.02 43.96 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 -2.00 4.41 0.24 1.61 0.04 -1.22 -4.06 135.00 134.03 1rmj s PRO 51 Ca 0.00 1.41 -0.01 0.00 0.04 0.00 0.00 61.00 62.44 1rmj s PRO 51 Cb 0.00 -2.69 -0.04 0.00 0.04 0.00 0.00 34.50 31.81 1rmj s PRO 51 CO 0.00 0.10 0.45 0.00 0.04 0.00 0.00 177.00 177.59 1rmj s TRP 53 N -1.98 -0.72 0.61 0.00 -2.14 -0.89 -4.99 118.94 108.82 1rmj s TRP 53 Ca 0.40 1.53 -0.12 0.00 2.66 0.00 0.00 56.10 60.57 1rmj s TRP 53 Cb -0.11 0.33 -0.04 0.00 -3.10 0.00 0.00 33.47 30.55 1rmj s TRP 53 CO 0.30 -0.48 1.02 0.00 -2.66 0.00 0.00 176.95 175.14 1rmj s VAL 55 N -3.08 0.00 0.85 0.00 -7.23 -0.18 -1.82 120.40 108.94 1rmj s VAL 55 Ca 0.56 -1.71 -0.07 0.00 -1.81 0.00 0.00 61.98 58.95 1rmj s VAL 55 Cb -0.11 -2.36 0.18 0.00 0.56 0.00 0.00 36.38 34.65 1rmj s VAL 55 CO 0.50 0.00 1.16 1.51 -0.31 0.00 0.00 175.10 177.96 1rmj s ASP 56 N -3.10 3.61 0.56 4.85 -4.77 -0.67 -4.18 116.67 112.97 1rmj s ASP 56 Ca 0.31 -0.25 0.34 0.00 -3.30 0.00 0.00 52.55 49.65 1rmj s ASP 56 Cb 0.03 0.12 1.49 0.00 -1.09 0.00 0.00 42.92 43.46 1rmj s ASP 56 CO 0.11 -2.38 1.79 0.08 0.70 0.00 0.00 175.17 175.48 1rmj h ARG 57 N -1.08 0.00 0.00 2.11 0.11 -1.70 0.49 114.38 114.30 1rmj h ARG 57 Ca -0.38 0.00 -0.01 0.00 0.10 0.00 0.00 59.98 59.69 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 -0.14 0.52 0.10 0.00 0.00 179.97 180.80 1rmj h MET 58 N 0.00 0.00 0.00 0.08 2.86 -1.89 -2.90 114.93 113.08 1rmj h MET 58 Ca 0.48 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 58.12 1rmj h MET 58 Cb 2.05 0.00 0.00 0.00 0.06 0.00 0.00 31.60 33.71 1rmj h MET 58 CO -0.01 0.04 0.00 0.41 1.06 0.00 0.00 176.91 178.41 1rmj n GLY 59 N 1.12 1.13 3.88 8.32 0.00 0.17 -4.67 105.19 115.14 1rmj n GLY 59 Ca 0.03 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.71 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 -0.10 3.63 0.07 1.61 -2.85 -1.26 -4.78 119.74 116.07 1rmj s LYS 60 Ca 0.00 -0.02 -0.32 0.00 -1.00 0.00 0.00 55.97 54.63 1rmj s LYS 60 Cb 0.00 -3.04 -0.11 0.00 -2.06 0.00 0.00 37.83 32.62 1rmj s LYS 60 CO 0.00 0.61 1.83 0.43 0.10 0.00 0.00 175.35 178.32 1rmj n SER 61 N 0.95 3.82 -4.77 0.03 7.64 -1.26 -1.68 113.62 118.35 1rmj n SER 61 Ca -0.09 0.98 -0.39 0.00 1.01 0.00 0.00 58.87 60.38 1rmj n SER 61 Cb 0.52 -1.49 -0.06 0.00 -1.01 0.00 0.00 64.21 62.18 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 3.00 4.49 -0.01 -3.43 1.43 -0.76 -4.88 118.68 118.53 1rmj s LEU 62 Ca 0.85 1.37 -0.02 0.00 -1.03 0.00 0.00 54.13 55.30 1rmj s LEU 62 Cb -0.54 -3.09 -0.01 0.00 0.03 0.00 0.00 46.19 42.58 1rmj s LEU 62 CO 0.41 0.14 0.33 1.55 0.23 0.00 0.00 176.35 179.01 1rmj h PRO 63 N 5.10 -0.06 0.00 1.29 0.13 -1.91 -3.46 132.00 133.09 1rmj h PRO 63 Ca -0.46 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 1rmj h PRO 63 Cb 1.21 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.35 1rmj h PRO 63 CO 0.68 -0.04 0.00 0.41 -0.23 0.00 0.00 178.00 178.82 1rmj n GLY 64 N 1.02 -0.16 3.70 1.56 0.00 -1.26 -4.91 105.19 105.14 1rmj n GLY 64 Ca -0.01 -1.58 -0.29 0.00 0.00 0.00 0.00 46.02 44.14 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 -1.58 3.20 0.55 1.61 1.04 -1.26 -4.90 113.70 112.37 1rmj s SER 65 Ca 0.00 1.43 0.32 0.00 0.48 0.00 0.00 55.95 58.18 1rmj s SER 65 Cb 0.00 -2.11 1.59 0.00 0.10 0.00 0.00 66.02 65.60 1rmj s SER 65 CO 0.00 -2.80 2.09 1.55 0.98 0.00 0.00 173.24 175.06 1rmj h PRO 66 N -1.66 0.00 0.00 4.02 0.13 -2.00 -1.40 132.00 131.09 1rmj h PRO 66 Ca -0.51 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.62 1rmj h PRO 66 Cb 1.29 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.42 1rmj h PRO 66 CO 0.55 0.08 0.00 -3.47 -0.23 0.00 0.00 178.00 174.92 1rmj n ASP 67 N -3.39 0.00 -1.35 1.44 2.03 -1.26 -4.88 116.55 109.14 1rmj n ASP 67 Ca -0.01 -0.03 -0.02 0.00 0.52 0.00 0.00 54.79 55.25 1rmj n ASP 67 Cb 0.23 -0.28 0.01 0.00 -0.72 0.00 0.00 41.12 40.36 1rmj n ASP 67 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1rmj n GLY 68 N 0.49 0.39 3.69 0.27 0.00 -0.53 -4.97 105.19 104.53 1rmj n GLY 68 Ca 0.10 -0.38 -0.42 0.00 0.00 0.00 0.00 46.02 45.32 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 -3.14 6.83 0.09 1.61 3.84 -1.26 -4.91 114.94 117.99 1rmj s ASN 69 Ca 0.01 2.13 -0.15 0.00 0.21 0.00 0.00 52.86 55.05 1rmj s ASN 69 Cb -0.00 -2.56 -0.10 0.00 -0.55 0.00 0.00 41.25 38.04 1rmj s ASN 69 CO 0.09 -0.75 1.39 1.23 -2.79 0.00 0.00 177.10 176.27 1rmj h GLY 70 N 8.53 0.72 0.27 1.21 0.00 -1.93 -3.09 103.07 108.78 1rmj h GLY 70 Ca -0.38 -0.77 0.12 0.00 0.00 0.00 0.00 47.33 46.30 1rmj h GLY 70 CO 0.91 0.70 0.28 1.76 0.00 0.00 0.00 176.54 180.18 1rmj h SER 71 N 0.38 0.27 1.14 0.19 0.02 -1.92 0.56 113.55 114.19 1rmj h SER 71 Ca 0.03 0.09 -0.00 0.00 -0.84 0.00 0.00 61.79 61.07 1rmj h SER 71 Cb 0.89 0.07 -0.00 0.00 0.14 0.00 0.00 62.40 63.50 1rmj h SER 71 CO 0.08 0.13 -0.01 0.28 -1.14 0.00 0.00 176.83 176.17 1rmj h SER 72 N 0.45 0.00 0.00 3.07 0.02 -1.97 -3.36 113.55 111.76 1rmj h SER 72 Ca 0.37 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.32 1rmj h SER 72 Cb 0.50 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.04 1rmj h SER 72 CO -0.35 0.01 -0.85 -1.54 -1.14 0.00 0.00 176.83 172.95 1rmj n SER 73 N -3.10 1.70 -3.88 3.07 3.41 0.01 -4.55 113.62 110.27 1rmj n SER 73 Ca 0.01 0.31 -0.15 0.00 -0.26 0.00 0.00 58.87 58.78 1rmj n SER 73 Cb 0.34 -0.72 -0.15 0.00 -0.26 0.00 0.00 64.21 63.42 1rmj n SER 73 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1rmj n PRO 75 N 3.43 0.00 -3.97 0.00 -0.04 -1.26 -3.97 135.00 129.18 1rmj n PRO 75 Ca -0.18 0.00 -0.09 0.00 -0.04 0.00 0.00 63.50 63.19 1rmj n PRO 75 Cb 0.56 -0.35 -0.08 0.00 -0.04 0.00 0.00 33.50 33.59 1rmj n PRO 75 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 1rmj s THR 76 N -0.06 0.12 0.00 0.52 -1.32 -1.26 -4.92 115.64 108.73 1rmj s THR 76 Ca 0.00 -1.46 0.00 0.00 -1.21 0.00 0.00 61.69 59.02 1rmj s THR 76 Cb 0.00 -1.65 0.00 0.00 -1.51 0.00 0.00 72.50 69.34 1rmj s THR 76 CO 0.00 -0.55 0.00 0.61 -2.21 0.00 0.00 174.62 172.47 1rmj n GLY 77 N -0.09 1.80 0.54 6.08 0.00 -1.26 -4.78 105.19 107.47 1rmj n GLY 77 Ca -0.11 0.00 0.06 0.00 0.00 0.00 0.00 46.02 45.97 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 -0.26 1.55 0.00 1.61 7.64 -1.26 -4.88 113.62 118.02 1rmj n SER 78 Ca 0.00 -3.02 0.00 0.00 1.01 0.00 0.00 58.87 56.86 1rmj n SER 78 Cb 0.00 -0.41 0.00 0.00 -1.01 0.00 0.00 64.21 62.79 1rmj n SER 78 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 1rmj n SER 79 N -0.81 0.00 0.00 6.43 3.41 -1.26 -5.18 113.62 116.21 1rmj n SER 79 Ca 0.13 0.14 0.00 0.00 -0.26 0.00 0.00 58.87 58.88 1rmj n SER 79 Cb 0.74 -0.37 0.00 0.00 -0.26 0.00 0.00 64.21 64.33 1rmj n SER 79 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49