#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 -0.24 1.43 4.11 -1.26 -4.74 117.16 116.46 1rmj n TYR -26 Ca 0.00 0.00 0.02 0.00 -0.00 0.00 0.00 57.90 57.92 1rmj n TYR -26 Cb 0.00 -0.01 0.10 0.00 -0.00 0.00 0.00 39.34 39.43 1rmj n TYR -26 CO 0.00 0.00 0.00 -0.92 -0.00 0.00 0.00 176.86 175.94 1rmj h TYR -25 N 0.00 -0.27 -3.32 -3.48 3.20 -2.08 -3.38 116.97 107.64 1rmj h TYR -25 Ca -0.00 0.06 -0.40 0.00 3.14 0.00 0.00 58.73 61.53 1rmj h TYR -25 Cb 0.07 0.23 -0.38 0.00 1.54 0.00 0.00 36.73 38.19 1rmj h TYR -25 CO 0.00 -0.28 -0.75 -1.58 -1.64 0.00 0.00 178.16 173.91 1rmj s HIS -24 N -6.20 0.38 -0.63 -3.82 2.46 -1.26 -5.03 115.29 101.19 1rmj s HIS -24 Ca -0.14 0.02 -0.06 0.00 0.47 0.00 0.00 55.06 55.35 1rmj s HIS -24 Cb 0.21 -0.61 -0.14 0.00 -0.13 0.00 0.00 32.58 31.91 1rmj s HIS -24 CO 0.75 -0.24 2.75 0.72 -2.47 0.00 0.00 174.74 176.25 1rmj n HIS -23 N 5.00 0.94 -2.43 3.88 8.25 -1.26 -4.37 115.22 125.24 1rmj n HIS -23 Ca -0.09 -1.85 -0.28 0.00 -0.26 0.00 0.00 57.72 55.24 1rmj n HIS -23 Cb 0.50 -1.71 0.00 0.00 1.12 0.00 0.00 29.99 29.90 1rmj n HIS -23 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 1rmj n HIS -22 N 3.24 3.38 -3.95 4.41 8.25 -1.26 -4.99 115.22 124.30 1rmj n HIS -22 Ca 0.48 -3.04 -0.34 0.00 -0.26 0.00 0.00 57.72 54.55 1rmj n HIS -22 Cb 0.45 -0.19 -0.14 0.00 1.12 0.00 0.00 29.99 31.24 1rmj n HIS -22 CO 0.00 0.00 0.00 -1.58 0.64 0.00 0.00 176.34 175.40 1rmj s HIS -21 N -3.59 3.11 -0.01 4.41 5.04 -1.26 -5.01 115.29 117.99 1rmj s HIS -21 Ca 0.48 -1.64 -0.01 0.00 -1.54 0.00 0.00 55.06 52.36 1rmj s HIS -21 Cb 0.40 -2.07 -0.00 0.00 0.04 0.00 0.00 32.58 30.95 1rmj s HIS -21 CO -0.21 -0.75 -0.01 1.58 -2.34 0.00 0.00 174.74 173.01 1rmj n HIS -20 N 4.65 0.05 0.00 3.88 -0.00 -1.26 -4.85 115.22 117.69 1rmj n HIS -20 Ca -0.16 0.02 0.00 0.00 0.46 0.00 0.00 57.72 58.04 1rmj n HIS -20 Cb 0.46 -0.25 0.00 0.00 -0.12 0.00 0.00 29.99 30.08 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 -2.40 0.00 -4.76 1.57 -0.00 -1.26 -4.05 115.22 104.32 1rmj n HIS -19 Ca -0.00 0.00 -0.33 0.00 -0.00 0.00 0.00 57.72 57.39 1rmj n HIS -19 Cb 0.02 0.00 -0.15 0.00 -0.00 0.00 0.00 29.99 29.85 1rmj n HIS -19 CO 0.00 0.00 0.00 0.34 -0.00 0.00 0.00 176.34 176.68 1rmj s ASP -18 N -4.00 3.63 0.00 0.41 2.15 -1.26 -4.78 116.67 112.82 1rmj s ASP -18 Ca 0.00 -0.45 0.00 0.00 0.43 0.00 0.00 52.55 52.53 1rmj s ASP -18 Cb 0.00 -1.54 0.00 0.00 -0.30 0.00 0.00 42.92 41.08 1rmj s ASP -18 CO 0.00 0.13 0.00 -1.22 -0.17 0.00 0.00 175.17 173.91 1rmj n TYR -17 N 3.78 0.00 -2.68 -5.34 4.02 -1.26 -5.04 117.16 110.64 1rmj n TYR -17 Ca -0.19 0.00 -0.05 0.00 -0.01 0.00 0.00 57.90 57.65 1rmj n TYR -17 Cb 0.52 0.00 0.09 0.00 -0.02 0.00 0.00 39.34 39.93 1rmj n TYR -17 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 176.86 172.38 1rmj n ASP -16 N -0.78 -1.62 -3.83 7.72 2.03 -1.26 -5.12 116.55 113.69 1rmj n ASP -16 Ca 0.00 -2.20 -0.25 0.00 0.52 0.00 0.00 54.79 52.86 1rmj n ASP -16 Cb 0.00 0.95 -0.17 0.00 -0.72 0.00 0.00 41.12 41.18 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 0.15 0.69 -1.00 5.18 1.01 -1.26 -5.06 121.20 120.90 1rmj s ILE -15 Ca 0.16 -0.14 -0.24 0.00 0.00 0.00 0.00 60.65 60.42 1rmj s ILE -15 Cb 0.31 -0.82 -0.07 0.00 0.01 0.00 0.00 42.46 41.89 1rmj s ILE -15 CO -0.07 0.25 1.96 -2.16 0.00 0.00 0.00 174.94 174.91 1rmj s PRO -14 N 1.84 2.49 0.46 2.79 0.04 -1.26 -4.71 135.00 136.65 1rmj s PRO -14 Ca 0.04 -0.59 0.02 0.00 0.04 0.00 0.00 61.00 60.52 1rmj s PRO -14 Cb -0.13 -5.12 -0.01 0.00 0.04 0.00 0.00 34.50 29.28 1rmj s PRO -14 CO -0.07 -3.66 0.08 0.25 0.04 0.00 0.00 177.00 173.65 1rmj n THR -13 N 7.89 0.00 0.08 1.26 -2.24 -1.26 -4.99 114.28 115.03 1rmj n THR -13 Ca 0.42 -2.44 -0.13 0.00 -2.27 0.00 0.00 64.05 59.63 1rmj n THR -13 Cb 0.47 0.71 -0.08 0.00 -2.10 0.00 0.00 70.33 69.32 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 1.50 0.96 -0.15 4.28 1.35 -1.98 0.22 112.91 119.10 1rmj h THR -12 Ca -0.37 -0.69 0.00 0.00 -0.55 0.00 0.00 66.41 64.80 1rmj h THR -12 Cb 1.27 1.38 -0.01 0.00 -1.73 0.00 0.00 68.15 69.06 1rmj h THR -12 CO 0.60 0.16 0.10 -0.33 -0.25 0.00 0.00 175.52 175.80 1rmj h GLU -11 N -0.56 0.19 0.07 4.72 3.07 -1.97 0.32 114.58 120.42 1rmj h GLU -11 Ca -0.02 -0.01 -0.27 0.00 -0.50 0.00 0.00 59.36 58.56 1rmj h GLU -11 Cb 0.43 -0.04 0.02 0.00 -0.84 0.00 0.00 28.75 28.31 1rmj h GLU -11 CO 0.04 0.12 -1.12 -0.97 -1.40 0.00 0.00 179.01 175.68 1rmj h ASN -10 N 0.19 0.72 0.49 1.42 -0.73 -1.80 -3.15 115.58 112.73 1rmj h ASN -10 Ca 0.05 -0.63 -0.11 0.00 1.87 0.00 0.00 56.30 57.48 1rmj h ASN -10 Cb -0.02 -0.22 -0.02 0.00 0.27 0.00 0.00 38.32 38.33 1rmj h ASN -10 CO -0.01 1.45 -0.51 0.25 -0.37 0.00 0.00 177.43 178.24 1rmj h LEU -9 N 0.25 0.02 0.00 0.34 5.85 0.41 -2.54 115.31 119.64 1rmj h LEU -9 Ca -0.14 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.57 1rmj h LEU -9 Cb 1.79 -0.01 0.00 0.00 0.37 0.00 0.00 40.66 42.81 1rmj h LEU -9 CO 0.21 0.53 0.00 -1.22 -0.34 0.00 0.00 178.44 177.61 1rmj n TYR -8 N -3.93 0.00 -0.01 1.25 4.01 0.10 -3.93 117.16 114.64 1rmj n TYR -8 Ca -0.01 0.00 0.23 0.00 -0.16 0.00 0.00 57.90 57.96 1rmj n TYR -8 Cb 0.52 0.00 0.72 0.00 -0.31 0.00 0.00 39.34 40.28 1rmj n TYR -8 CO 0.00 0.00 0.00 0.35 -0.46 0.00 0.00 176.86 176.75 1rmj h PHE -7 N 0.00 0.00 -1.37 -0.72 3.57 -1.47 -3.39 116.94 113.57 1rmj h PHE -7 Ca 0.00 0.00 -0.57 0.00 3.53 0.00 0.00 57.97 60.93 1rmj h PHE -7 Cb 0.00 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 38.73 1rmj h PHE -7 CO 0.00 0.00 1.54 1.04 -2.23 0.00 0.00 178.31 178.66 1rmj n GLN -6 N -3.94 1.18 -0.63 1.11 6.02 -1.25 -4.68 117.38 115.19 1rmj n GLN -6 Ca 0.12 0.23 -0.22 0.00 -0.01 0.00 0.00 57.00 57.11 1rmj n GLN -6 Cb 0.76 -2.88 -0.06 0.00 1.02 0.00 0.00 30.24 29.08 1rmj n GLN -6 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1rmj n GLY -5 N 6.18 0.41 3.91 1.08 0.00 -1.26 -4.85 105.19 110.66 1rmj n GLY -5 Ca 0.40 -0.46 -0.28 0.00 0.00 0.00 0.00 46.02 45.68 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 5.03 2.83 0.00 4.61 0.00 -1.26 -4.89 121.76 128.08 1rmj s ALA -4 Ca 0.34 -0.71 0.00 0.00 0.00 0.00 0.00 51.96 51.59 1rmj s ALA -4 Cb 0.07 -2.85 0.00 0.00 0.00 0.00 0.00 23.12 20.34 1rmj s ALA -4 CO 0.17 -1.51 0.00 -1.33 0.00 0.00 0.00 175.76 173.09 1rmj n MET -3 N -3.16 3.80 -2.70 0.00 2.81 -1.26 -4.98 117.12 111.63 1rmj n MET -3 Ca 0.08 0.00 -0.43 0.00 -1.81 0.00 0.00 57.70 55.53 1rmj n MET -3 Cb 0.60 0.00 0.00 0.00 -0.71 0.00 0.00 33.22 33.11 1rmj n MET -3 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1rmj n GLY -2 N 5.00 2.97 3.41 3.03 0.00 0.21 -4.51 105.19 115.31 1rmj n GLY -2 Ca 0.00 -1.69 -0.16 0.00 0.00 0.00 0.00 46.02 44.16 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 7.19 -6.34 -3.74 1.61 7.64 -1.26 -4.38 113.62 114.35 1rmj n SER -1 Ca 0.44 -0.62 -0.16 0.00 1.01 0.00 0.00 58.87 59.54 1rmj n SER -1 Cb 0.44 -4.03 -0.16 0.00 -1.01 0.00 0.00 64.21 59.46 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 -3.19 0.09 0.54 0.23 0.00 -1.17 -4.77 107.32 99.04 1rmj s GLY 1 Ca 0.21 0.39 0.33 0.00 0.00 0.00 0.00 44.72 45.65 1rmj s GLY 1 CO 0.81 0.99 1.95 -0.56 0.00 0.00 0.00 173.10 176.29 1rmj h PRO 2 N 7.61 0.00 -0.46 2.90 0.13 -1.84 -3.23 132.00 137.11 1rmj h PRO 2 Ca -0.36 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.75 1rmj h PRO 2 Cb 1.12 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.23 1rmj h PRO 2 CO 0.37 0.00 0.19 0.00 -0.23 0.00 0.00 178.00 178.33 1rmj h ARG 4 N 0.59 0.60 -0.88 0.00 9.65 -1.49 0.92 114.38 123.77 1rmj h ARG 4 Ca 0.15 -0.04 0.03 0.00 -1.10 0.00 0.00 59.98 59.02 1rmj h ARG 4 Cb 0.17 -0.14 -0.05 0.00 -1.39 0.00 0.00 29.97 28.57 1rmj h ARG 4 CO -0.01 0.40 0.58 0.00 2.80 0.00 0.00 179.97 183.73 1rmj h ARG 5 N 0.62 1.11 -0.38 0.20 3.08 -1.65 0.46 114.38 117.81 1rmj h ARG 5 Ca 0.22 -0.07 -0.15 0.00 0.07 0.00 0.00 59.98 60.05 1rmj h ARG 5 Cb 0.04 -0.25 -0.01 0.00 0.08 0.00 0.00 29.97 29.84 1rmj h ARG 5 CO -0.11 0.73 -0.36 1.25 -1.07 0.00 0.00 179.97 180.42 1rmj h HIS 6 N 1.14 1.06 0.09 3.04 2.76 -0.29 -2.01 115.15 120.94 1rmj h HIS 6 Ca 0.34 -0.31 -0.00 0.00 -2.20 0.00 0.00 60.37 58.20 1rmj h HIS 6 Cb -0.04 -0.23 0.00 0.00 1.55 0.00 0.00 27.41 28.69 1rmj h HIS 6 CO -0.01 1.12 -0.04 1.25 -1.30 0.00 0.00 177.93 178.94 1rmj h LEU 7 N 0.74 -0.11 -0.55 0.26 6.46 0.19 -0.61 115.31 121.69 1rmj h LEU 7 Ca 0.07 -0.29 0.03 0.00 -0.12 0.00 0.00 57.88 57.56 1rmj h LEU 7 Cb 0.94 0.03 -0.04 0.00 -0.73 0.00 0.00 40.66 40.86 1rmj h LEU 7 CO 0.09 0.24 0.33 -0.78 -0.62 0.00 0.00 178.44 177.70 1rmj h ASP 8 N -0.47 0.53 0.01 1.25 3.58 -0.15 1.43 116.42 122.60 1rmj h ASP 8 Ca -0.01 0.00 -0.00 0.00 0.42 0.00 0.00 57.03 57.44 1rmj h ASP 8 Cb 0.39 -0.11 0.00 0.00 1.72 0.00 0.00 39.33 41.33 1rmj h ASP 8 CO 0.02 0.37 -0.00 0.28 -2.88 0.00 0.00 179.24 177.03 1rmj h SER 9 N 0.65 -0.01 -0.03 2.28 0.02 -1.34 0.26 113.55 115.37 1rmj h SER 9 Ca 0.22 -0.11 -0.02 0.00 -0.84 0.00 0.00 61.79 61.04 1rmj h SER 9 Cb 0.02 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.57 1rmj h SER 9 CO -0.10 0.10 -0.07 0.58 -1.14 0.00 0.00 176.83 176.20 1rmj h VAL 10 N -0.12 1.44 -0.50 2.27 2.07 -0.77 -2.73 116.25 117.91 1rmj h VAL 10 Ca -0.00 -1.41 -0.06 0.00 0.82 0.00 0.00 66.70 66.05 1rmj h VAL 10 Cb 0.12 2.30 -0.02 0.00 -1.52 0.00 0.00 31.29 32.16 1rmj h VAL 10 CO 0.00 0.38 0.08 0.17 0.02 0.00 0.00 177.57 178.22 1rmj h LEU 11 N -0.42 0.73 0.14 2.57 8.10 0.20 0.92 115.31 127.55 1rmj h LEU 11 Ca 0.00 -0.14 -0.01 0.00 0.11 0.00 0.00 57.88 57.84 1rmj h LEU 11 Cb 0.66 -0.19 0.00 0.00 -0.44 0.00 0.00 40.66 40.69 1rmj h LEU 11 CO 0.02 0.75 -0.07 1.56 -4.11 0.00 0.00 178.44 176.59 1rmj h GLN 12 N 0.74 -0.18 0.00 0.17 4.20 -0.53 -2.90 115.11 116.61 1rmj h GLN 12 Ca 0.16 0.01 -0.06 0.00 0.06 0.00 0.00 58.65 58.82 1rmj h GLN 12 Cb 0.34 0.04 -0.01 0.00 0.30 0.00 0.00 27.48 28.15 1rmj h GLN 12 CO 0.01 0.23 -0.34 0.37 -0.67 0.00 0.00 178.83 178.43 1rmj h GLN 13 N -0.66 0.00 0.00 1.46 5.75 -1.46 -3.36 115.11 116.85 1rmj h GLN 13 Ca -0.02 0.00 -0.00 0.00 -0.15 0.00 0.00 58.65 58.48 1rmj h GLN 13 Cb 0.49 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.04 1rmj h GLN 13 CO 0.03 0.98 -0.00 -0.07 -2.65 0.00 0.00 178.83 177.12 1rmj h LEU 14 N -1.00 -0.00 -2.26 -2.39 3.38 0.68 -2.88 115.31 110.83 1rmj h LEU 14 Ca -0.09 -0.65 0.04 0.00 0.09 0.00 0.00 57.88 57.26 1rmj h LEU 14 Cb 1.06 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.81 1rmj h LEU 14 CO -0.06 0.66 0.24 -0.61 0.09 0.00 0.00 178.44 178.76 1rmj h GLN 15 N -0.66 0.00 0.00 1.13 -0.00 -1.04 2.46 115.11 117.00 1rmj h GLN 15 Ca -0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 58.65 58.64 1rmj h GLN 15 Cb 0.66 0.00 0.00 0.00 0.00 0.00 0.00 27.48 28.14 1rmj h GLN 15 CO 0.00 0.00 -0.03 1.79 0.00 0.00 0.00 178.83 180.59 1rmj h THR 16 N 0.00 1.79 -0.53 2.39 1.35 -1.66 -3.29 112.91 112.95 1rmj h THR 16 Ca 0.06 -2.35 0.00 0.00 -0.55 0.00 0.00 66.41 63.56 1rmj h THR 16 Cb 0.53 3.39 0.00 0.00 -1.73 0.00 0.00 68.15 70.34 1rmj h THR 16 CO -0.00 0.61 0.00 -0.62 -0.25 0.00 0.00 175.52 175.26 1rmj n GLU 17 N -4.60 2.40 -0.04 4.72 1.02 -0.57 -4.61 120.64 118.96 1rmj n GLU 17 Ca -0.10 -2.16 -0.05 0.00 -0.02 0.00 0.00 57.16 54.83 1rmj n GLU 17 Cb 0.49 -1.49 -0.02 0.00 -0.02 0.00 0.00 31.44 30.41 1rmj n GLU 17 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 1rmj n VAL 18 N 1.29 0.87 -0.03 2.62 0.31 0.82 -4.33 118.33 119.87 1rmj n VAL 18 Ca 0.20 0.28 -0.09 0.00 -0.01 0.00 0.00 64.34 64.72 1rmj n VAL 18 Cb 0.53 -1.91 -0.02 0.00 -0.91 0.00 0.00 33.84 31.52 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 -0.51 -0.69 0.29 3.52 -1.99 -1.69 0.20 116.97 116.10 1rmj h TYR 19 Ca 0.00 0.04 -0.01 0.00 2.00 0.00 0.00 58.73 60.75 1rmj h TYR 19 Cb 0.51 0.33 0.00 0.00 2.00 0.00 0.00 36.73 39.58 1rmj h TYR 19 CO -0.22 -0.33 -0.14 0.00 -0.00 0.00 0.00 178.16 177.47 1rmj h ARG 20 N -0.29 -0.38 0.00 4.88 -0.00 -1.83 -3.37 114.38 113.40 1rmj h ARG 20 Ca 0.12 0.03 0.00 0.00 -0.50 0.00 0.00 59.98 59.63 1rmj h ARG 20 Cb 0.48 0.09 0.00 0.00 0.00 0.00 0.00 29.97 30.53 1rmj h ARG 20 CO -0.37 -0.18 0.00 0.41 0.00 0.00 0.00 179.97 179.84 1rmj n GLY 21 N -0.96 -0.41 0.00 0.04 0.00 -1.22 -4.72 105.19 97.92 1rmj n GLY 21 Ca -0.10 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.92 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 -0.25 4.61 0.00 0.69 -5.05 120.51 120.44 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 0.11 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.56 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 -0.18 0.00 -2.57 0.00 6.02 -1.26 -4.99 117.38 114.40 1rmj n GLN 23 Ca 0.00 0.00 -0.04 0.00 -0.01 0.00 0.00 57.00 56.95 1rmj n GLN 23 Cb 0.00 0.00 0.06 0.00 1.02 0.00 0.00 30.24 31.32 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 -2.13 0.00 -2.40 5.09 -1.04 -1.23 -3.35 114.28 109.21 1rmj n THR 24 Ca 0.00 -1.00 -0.42 0.00 -2.04 0.00 0.00 64.05 60.60 1rmj n THR 24 Cb 0.00 0.81 -0.03 0.00 -1.82 0.00 0.00 70.33 69.29 1rmj n THR 24 CO 0.00 0.00 0.00 -0.76 -0.64 0.00 0.00 175.07 173.67 1rmj s LEU 25 N -2.70 4.42 0.02 -4.42 1.02 0.04 -3.71 118.68 113.35 1rmj s LEU 25 Ca 0.12 2.12 -0.17 0.00 0.02 0.00 0.00 54.13 56.23 1rmj s LEU 25 Cb 0.25 -3.59 -0.06 0.00 0.02 0.00 0.00 46.19 42.81 1rmj s LEU 25 CO -0.06 -0.41 0.47 -0.47 0.02 0.00 0.00 176.35 175.91 1rmj s TYR 26 N 0.45 3.75 -0.04 0.29 5.04 -1.25 0.56 117.35 126.14 1rmj s TYR 26 Ca 0.55 1.10 0.07 0.00 -2.44 0.00 0.00 57.07 56.35 1rmj s TYR 26 Cb -0.31 -2.38 -0.01 0.00 0.35 0.00 0.00 41.96 39.60 1rmj s TYR 26 CO 0.33 0.60 -0.25 0.08 -1.34 0.00 0.00 175.55 174.96 1rmj s VAL 27 N -0.99 2.06 0.51 3.14 1.01 0.33 -4.89 120.40 121.55 1rmj s VAL 27 Ca 0.26 -1.08 -0.19 0.00 0.00 0.00 0.00 61.98 60.97 1rmj s VAL 27 Cb -0.18 -1.73 -0.08 0.00 0.00 0.00 0.00 36.38 34.40 1rmj s VAL 27 CO 0.15 0.57 1.03 -2.16 0.00 0.00 0.00 175.10 174.70 1rmj s PRO 28 N -0.33 3.73 -0.08 2.72 0.04 -1.26 -2.63 135.00 137.19 1rmj s PRO 28 Ca 0.01 1.29 0.02 0.00 0.04 0.00 0.00 61.00 62.36 1rmj s PRO 28 Cb -0.12 -2.09 -0.02 0.00 0.04 0.00 0.00 34.50 32.30 1rmj s PRO 28 CO 0.02 -0.48 -0.12 1.21 0.04 0.00 0.00 177.00 177.67 1rmj s ASN 29 N -2.22 4.22 -0.02 6.66 2.47 0.82 -4.85 114.94 122.02 1rmj s ASN 29 Ca 0.66 -0.18 0.04 0.00 0.42 0.00 0.00 52.86 53.80 1rmj s ASN 29 Cb -0.15 -1.14 -0.01 0.00 -1.45 0.00 0.00 41.25 38.50 1rmj s ASN 29 CO 0.24 0.30 -0.14 0.00 -3.72 0.00 0.00 177.10 173.77 1rmj s ASP 31 N -0.17 3.78 0.63 0.00 2.15 -0.76 -4.79 116.67 117.51 1rmj s ASP 31 Ca 0.02 0.61 0.25 0.00 0.43 0.00 0.00 52.55 53.86 1rmj s ASP 31 Cb -0.08 -0.93 1.26 0.00 -0.30 0.00 0.00 42.92 42.87 1rmj s ASP 31 CO 0.00 -2.35 1.71 0.45 -0.17 0.00 0.00 175.17 174.81 1rmj h HIS 32 N -1.37 0.00 -0.03 -5.34 3.86 -2.00 0.65 115.15 110.93 1rmj h HIS 32 Ca -0.46 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 58.75 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 -0.31 0.00 0.00 2.89 0.86 0.00 0.00 177.93 181.37 1rmj n ARG 33 N -3.20 1.07 -0.74 2.45 -4.01 -1.26 0.67 116.66 111.64 1rmj n ARG 33 Ca 0.06 -0.11 0.00 0.00 -1.04 0.00 0.00 57.85 56.76 1rmj n ARG 33 Cb 0.73 -1.05 0.00 0.00 -3.04 0.00 0.00 32.46 29.10 1rmj n ARG 33 CO 0.00 0.00 0.00 0.41 -3.04 0.00 0.00 177.63 175.00 1rmj n GLY 34 N 0.52 0.34 3.97 2.89 0.00 0.23 -3.04 105.19 110.10 1rmj n GLY 34 Ca 0.01 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.82 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 -2.00 3.02 -1.14 1.61 0.40 -1.26 -0.10 117.98 118.52 1rmj s PHE 35 Ca 0.00 -0.02 -0.22 0.00 -0.60 0.00 0.00 56.93 56.09 1rmj s PHE 35 Cb 0.00 -2.41 -0.01 0.00 0.51 0.00 0.00 43.02 41.11 1rmj s PHE 35 CO 0.00 -0.48 1.80 0.71 0.70 0.00 0.00 175.22 177.95 1rmj s TYR 36 N -2.53 2.27 -0.06 0.36 1.51 -1.10 -1.83 117.35 115.97 1rmj s TYR 36 Ca 0.52 -0.34 -0.00 0.00 -1.01 0.00 0.00 57.07 56.23 1rmj s TYR 36 Cb -0.10 -4.35 -0.00 0.00 -0.11 0.00 0.00 41.96 37.40 1rmj s TYR 36 CO 0.36 -1.61 0.02 -0.09 -1.11 0.00 0.00 175.55 173.12 1rmj h ARG 37 N 9.40 -0.01 0.00 -0.62 2.43 -1.69 -2.96 114.38 120.93 1rmj h ARG 37 Ca 0.26 0.00 -0.45 0.00 -0.81 0.00 0.00 59.98 58.98 1rmj h ARG 37 Cb 0.94 0.00 -0.07 0.00 -0.42 0.00 0.00 29.97 30.43 1rmj h ARG 37 CO 1.33 -0.01 -2.52 1.17 -1.51 0.00 0.00 179.97 178.42 1rmj n LYS 38 N -3.67 0.60 -4.29 0.20 4.81 -1.14 -3.67 118.16 111.00 1rmj n LYS 38 Ca -0.00 0.24 -0.29 0.00 -0.87 0.00 0.00 58.31 57.38 1rmj n LYS 38 Cb 0.00 -1.50 -0.11 0.00 0.02 0.00 0.00 35.03 33.44 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 -2.51 1.83 -0.08 1.64 3.00 -1.26 -0.59 118.95 120.98 1rmj s ARG 39 Ca -0.38 -1.16 -0.03 0.00 -1.00 0.00 0.00 55.73 53.16 1rmj s ARG 39 Cb 0.13 -2.14 0.04 0.00 0.00 0.00 0.00 34.95 32.99 1rmj s ARG 39 CO 0.52 0.48 0.15 -0.65 0.00 0.00 0.00 175.30 175.80 1rmj s GLN 40 N -2.17 0.04 -0.00 5.12 -1.52 -0.99 -0.12 119.66 120.02 1rmj s GLN 40 Ca 0.19 0.50 -0.01 0.00 -1.95 0.00 0.00 55.36 54.08 1rmj s GLN 40 Cb -0.11 -0.26 -0.00 0.00 -0.22 0.00 0.00 33.01 32.42 1rmj s GLN 40 CO 0.11 -0.27 0.02 0.00 -0.25 0.00 0.00 175.29 174.89 1rmj s ARG 42 N -0.50 4.35 -0.21 0.00 0.52 -1.06 -0.52 118.95 121.54 1rmj s ARG 42 Ca -0.06 0.76 -0.04 0.00 -0.52 0.00 0.00 55.73 55.88 1rmj s ARG 42 Cb -0.04 -3.37 -0.01 0.00 0.52 0.00 0.00 34.95 32.06 1rmj s ARG 42 CO -0.00 0.30 -0.04 -1.12 0.02 0.00 0.00 175.30 174.45 1rmj s SER 43 N 0.05 4.35 0.59 0.23 0.01 0.19 -3.25 113.70 115.87 1rmj s SER 43 Ca 0.32 -0.36 -0.13 0.00 1.31 0.00 0.00 55.95 57.09 1rmj s SER 43 Cb -0.18 -1.74 -0.05 0.00 0.21 0.00 0.00 66.02 64.26 1rmj s SER 43 CO 0.17 0.01 1.02 -0.44 0.41 0.00 0.00 173.24 174.41 1rmj s SER 44 N 1.31 6.20 0.01 2.44 0.01 -1.22 -0.78 113.70 121.68 1rmj s SER 44 Ca 0.04 1.53 0.12 0.00 1.31 0.00 0.00 55.95 58.94 1rmj s SER 44 Cb -0.14 -2.49 -0.21 0.00 0.21 0.00 0.00 66.02 63.39 1rmj s SER 44 CO -0.02 -0.88 0.83 0.06 0.41 0.00 0.00 173.24 173.64 1rmj h GLN 45 N 0.08 0.00 0.00 12.44 3.07 -1.71 -3.43 115.11 125.56 1rmj h GLN 45 Ca -0.45 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.29 1rmj h GLN 45 Cb 1.19 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.75 1rmj h GLN 45 CO 0.61 0.58 -0.71 0.41 0.09 0.00 0.00 178.83 179.80 1rmj n GLY 46 N 1.48 -0.49 3.83 0.06 0.00 -1.26 -4.76 105.19 104.05 1rmj n GLY 46 Ca -0.12 -0.24 -0.32 0.00 0.00 0.00 0.00 46.02 45.34 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 -2.41 3.76 0.01 1.61 -0.21 -1.26 -4.94 119.66 116.22 1rmj s GLN 47 Ca -0.21 1.03 0.23 0.00 0.02 0.00 0.00 55.36 56.43 1rmj s GLN 47 Cb 0.03 -2.10 0.96 0.00 1.00 0.00 0.00 33.01 32.90 1rmj s GLN 47 CO 0.31 -0.43 1.73 0.54 -2.12 0.00 0.00 175.29 175.31 1rmj n ARG 48 N -1.70 0.01 -1.48 2.91 5.12 -1.26 -4.48 116.66 115.77 1rmj n ARG 48 Ca 0.07 0.12 -0.35 0.00 -1.93 0.00 0.00 57.85 55.76 1rmj n ARG 48 Cb 0.54 -1.51 0.09 0.00 -1.16 0.00 0.00 32.46 30.42 1rmj n ARG 48 CO 0.00 0.00 0.00 -0.98 -1.93 0.00 0.00 177.63 174.72 1rmj s ARG 49 N -3.01 2.18 0.00 5.56 1.70 -1.26 -4.88 118.95 119.25 1rmj s ARG 49 Ca 0.11 1.86 0.00 0.00 -0.47 0.00 0.00 55.73 57.23 1rmj s ARG 49 Cb 0.15 -1.83 0.00 0.00 -0.57 0.00 0.00 34.95 32.70 1rmj s ARG 49 CO 0.42 -1.83 0.00 0.41 -1.08 0.00 0.00 175.30 173.22 1rmj n GLY 50 N 0.59 0.40 3.85 3.88 0.00 -1.26 -3.39 105.19 109.26 1rmj n GLY 50 Ca 0.14 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.84 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 -0.36 3.88 0.18 1.61 0.04 -1.20 -3.69 135.00 135.46 1rmj s PRO 51 Ca 0.00 0.92 -0.06 0.00 0.04 0.00 0.00 61.00 61.90 1rmj s PRO 51 Cb 0.00 -2.12 -0.06 0.00 0.04 0.00 0.00 34.50 32.36 1rmj s PRO 51 CO 0.00 -0.33 0.44 0.00 0.04 0.00 0.00 177.00 177.14 1rmj s TRP 53 N -1.76 -0.05 0.36 0.00 -2.14 -1.00 -5.02 118.94 109.33 1rmj s TRP 53 Ca 0.43 -0.01 -0.10 0.00 2.66 0.00 0.00 56.10 59.07 1rmj s TRP 53 Cb -0.12 0.02 -0.07 0.00 -3.10 0.00 0.00 33.47 30.21 1rmj s TRP 53 CO 0.25 -0.38 0.72 0.00 -2.66 0.00 0.00 176.95 174.87 1rmj s VAL 55 N -2.23 0.37 0.92 0.00 -7.23 0.24 -0.35 120.40 112.11 1rmj s VAL 55 Ca 0.50 -1.97 -0.13 0.00 -1.81 0.00 0.00 61.98 58.57 1rmj s VAL 55 Cb -0.10 -2.32 0.19 0.00 0.56 0.00 0.00 36.38 34.71 1rmj s VAL 55 CO 0.28 -0.25 1.27 1.51 -0.31 0.00 0.00 175.10 177.60 1rmj s ASP 56 N -3.18 3.30 0.50 4.85 -4.77 -0.86 -4.27 116.67 112.25 1rmj s ASP 56 Ca 0.31 0.13 0.27 0.00 -3.30 0.00 0.00 52.55 49.96 1rmj s ASP 56 Cb 0.07 -0.22 1.46 0.00 -1.09 0.00 0.00 42.92 43.14 1rmj s ASP 56 CO 0.08 -2.60 1.80 0.08 0.70 0.00 0.00 175.17 175.22 1rmj h ARG 57 N -1.46 0.00 0.00 2.11 -0.00 -1.63 0.30 114.38 113.70 1rmj h ARG 57 Ca -0.43 0.00 -0.04 0.00 -0.00 0.00 0.00 59.98 59.52 1rmj h ARG 57 Cb 1.24 0.00 -0.01 0.00 -0.00 0.00 0.00 29.97 31.20 1rmj h ARG 57 CO 0.38 0.00 -0.97 1.98 -0.00 0.00 0.00 179.97 181.36 1rmj h MET 58 N 0.00 0.00 0.00 0.08 -1.53 -1.88 -2.92 114.93 108.68 1rmj h MET 58 Ca 0.00 0.00 0.00 0.00 -3.44 0.00 0.00 59.70 56.26 1rmj h MET 58 Cb 0.37 0.00 0.00 0.00 -0.55 0.00 0.00 31.60 31.42 1rmj h MET 58 CO 0.00 0.07 0.00 0.41 0.14 0.00 0.00 176.91 177.53 1rmj n GLY 59 N 1.22 1.26 3.71 1.39 0.00 0.10 -4.51 105.19 108.36 1rmj n GLY 59 Ca -0.01 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.59 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 -0.21 4.53 -0.08 1.61 2.20 -1.26 -4.74 119.74 121.78 1rmj s LYS 60 Ca 0.00 1.30 -0.29 0.00 -0.36 0.00 0.00 55.97 56.62 1rmj s LYS 60 Cb 0.00 -3.46 -0.07 0.00 -1.51 0.00 0.00 37.83 32.79 1rmj s LYS 60 CO 0.00 -0.04 2.09 -1.12 -0.36 0.00 0.00 175.35 175.92 1rmj s SER 61 N 0.97 5.98 -0.48 1.43 0.01 -1.26 -2.03 113.70 118.32 1rmj s SER 61 Ca 0.49 2.30 -0.21 0.00 1.31 0.00 0.00 55.95 59.84 1rmj s SER 61 Cb -0.20 -2.52 0.04 0.00 0.21 0.00 0.00 66.02 63.54 1rmj s SER 61 CO 0.25 -1.48 0.70 -0.76 0.41 0.00 0.00 173.24 172.37 1rmj s LEU 62 N 6.27 4.55 0.06 2.44 1.43 0.52 -4.92 118.68 129.04 1rmj s LEU 62 Ca 0.94 -0.50 -0.20 0.00 -1.03 0.00 0.00 54.13 53.34 1rmj s LEU 62 Cb -0.38 -2.68 -0.11 0.00 0.03 0.00 0.00 46.19 43.05 1rmj s LEU 62 CO 0.39 -0.90 1.45 1.55 0.23 0.00 0.00 176.35 179.06 1rmj h PRO 63 N 9.00 0.37 0.00 1.29 0.13 -1.91 -3.42 132.00 137.45 1rmj h PRO 63 Ca -0.26 -0.14 -0.07 0.00 -0.87 0.00 0.00 66.00 64.65 1rmj h PRO 63 Cb 1.09 -0.02 -0.08 0.00 0.13 0.00 0.00 31.00 32.12 1rmj h PRO 63 CO 0.95 0.63 0.11 0.41 -0.23 0.00 0.00 178.00 179.87 1rmj n GLY 64 N -0.13 -0.59 3.32 1.56 0.00 -1.26 -4.90 105.19 103.18 1rmj n GLY 64 Ca -0.05 -0.02 -0.35 0.00 0.00 0.00 0.00 46.02 45.59 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 -0.22 4.42 0.45 1.61 0.01 -1.26 -4.25 113.70 114.46 1rmj s SER 65 Ca 0.03 -0.42 0.22 0.00 1.31 0.00 0.00 55.95 57.10 1rmj s SER 65 Cb 0.08 -1.76 1.08 0.00 0.21 0.00 0.00 66.02 65.62 1rmj s SER 65 CO -0.02 -0.04 1.92 1.55 0.41 0.00 0.00 173.24 177.07 1rmj h PRO 66 N 8.13 0.00 0.00 12.44 0.13 -1.84 0.66 132.00 151.52 1rmj h PRO 66 Ca -0.40 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.73 1rmj h PRO 66 Cb 1.16 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.29 1rmj h PRO 66 CO 0.60 0.23 0.00 -3.47 -0.23 0.00 0.00 178.00 175.13 1rmj n ASP 67 N -3.67 0.03 0.00 1.44 2.03 -1.26 -3.76 116.55 111.35 1rmj n ASP 67 Ca -0.01 0.51 0.00 0.00 0.52 0.00 0.00 54.79 55.80 1rmj n ASP 67 Cb 0.35 -0.51 0.00 0.00 -0.72 0.00 0.00 41.12 40.24 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 -0.10 0.00 2.68 0.27 0.00 -0.69 -4.84 105.19 102.52 1rmj n GLY 68 Ca 0.03 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.64 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 -2.71 5.26 -4.78 1.61 5.15 0.22 -4.50 115.26 115.52 1rmj n ASN 69 Ca 0.00 -2.89 -0.30 0.00 -0.60 0.00 0.00 54.58 50.79 1rmj n ASN 69 Cb 0.41 -1.57 -0.06 0.00 -0.53 0.00 0.00 39.78 38.02 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 2.22 2.72 0.57 8.20 0.00 -1.25 -4.50 107.32 115.28 1rmj s GLY 70 Ca 0.49 -1.05 0.29 0.00 0.00 0.00 0.00 44.72 44.44 1rmj s GLY 70 CO -0.06 -2.09 1.93 1.76 0.00 0.00 0.00 173.10 174.65 1rmj h SER 71 N 1.27 0.00 -0.87 1.64 0.02 -1.67 0.80 113.55 114.74 1rmj h SER 71 Ca -0.42 0.00 0.04 0.00 -0.84 0.00 0.00 61.79 60.57 1rmj h SER 71 Cb 1.29 0.00 -0.05 0.00 0.14 0.00 0.00 62.40 63.78 1rmj h SER 71 CO 0.70 0.00 0.57 0.28 -1.14 0.00 0.00 176.83 177.25 1rmj h SER 72 N 0.00 0.92 0.00 3.07 0.02 -1.91 -3.34 113.55 112.31 1rmj h SER 72 Ca 0.23 -0.01 0.00 0.00 -0.84 0.00 0.00 61.79 61.17 1rmj h SER 72 Cb 1.14 -0.21 0.00 0.00 0.14 0.00 0.00 62.40 63.47 1rmj h SER 72 CO -0.00 0.62 -0.42 -1.54 -1.14 0.00 0.00 176.83 174.35 1rmj n SER 73 N -4.45 0.98 -4.55 3.07 3.41 0.15 -4.80 113.62 107.43 1rmj n SER 73 Ca 0.12 0.28 -0.25 0.00 -0.26 0.00 0.00 58.87 58.76 1rmj n SER 73 Cb 0.13 -0.65 -0.09 0.00 -0.26 0.00 0.00 64.21 63.34 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 -0.41 0.00 -4.04 0.00 -0.04 -1.26 -2.66 135.00 126.59 1rmj n PRO 75 Ca -0.08 0.48 -0.12 0.00 -0.04 0.00 0.00 63.50 63.74 1rmj n PRO 75 Cb 0.58 -1.35 -0.11 0.00 -0.04 0.00 0.00 33.50 32.57 1rmj n PRO 75 CO 0.00 0.00 0.00 0.99 -0.04 0.00 0.00 175.50 176.45 1rmj s THR 76 N -2.42 0.40 0.00 0.52 2.01 -1.26 -4.16 115.64 110.73 1rmj s THR 76 Ca 0.00 -1.03 0.00 0.00 0.31 0.00 0.00 61.69 60.97 1rmj s THR 76 Cb 0.00 -0.50 0.00 0.00 0.01 0.00 0.00 72.50 72.01 1rmj s THR 76 CO 0.00 -0.43 0.00 0.61 -0.69 0.00 0.00 174.62 174.11 1rmj n GLY 77 N 1.49 0.31 2.76 4.40 0.00 -1.26 -5.06 105.19 107.83 1rmj n GLY 77 Ca -0.23 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.37 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 6.79 -3.68 1.61 7.64 -1.26 -4.89 113.62 119.83 1rmj n SER 78 Ca 0.00 -3.38 -0.42 0.00 1.01 0.00 0.00 58.87 56.08 1rmj n SER 78 Cb 0.00 -1.30 -0.01 0.00 -1.01 0.00 0.00 64.21 61.88 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 1.50 3.80 0.00 6.43 7.64 -1.26 -4.90 113.62 126.83 1rmj n SER 79 Ca 0.43 -2.79 0.00 0.00 1.01 0.00 0.00 58.87 57.52 1rmj n SER 79 Cb 0.30 -1.53 0.00 0.00 -1.01 0.00 0.00 64.21 61.97 1rmj n SER 79 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64