#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1r6r n ARG 22 N 0.00 -1.64 -2.69 1.20 3.00 -1.26 -4.75 116.66 110.52 1r6r n ARG 22 Ca 0.00 0.85 -0.06 0.00 -0.01 0.00 0.00 57.85 58.63 1r6r n ARG 22 Cb 0.00 -5.28 0.08 0.00 0.00 0.00 0.00 32.46 27.26 1r6r n ARG 22 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.63 179.18 1r6r n VAL 23 N -2.73 0.00 -1.77 1.55 3.14 -1.26 0.17 118.33 117.43 1r6r n VAL 23 Ca -0.17 -1.20 0.00 0.00 -2.96 0.00 0.00 64.34 60.01 1r6r n VAL 23 Cb 0.57 0.96 0.00 0.00 -1.06 0.00 0.00 33.84 34.31 1r6r n VAL 23 CO 0.00 0.00 0.00 -1.54 -6.46 0.00 0.00 176.83 168.83 1r6r n SER 24 N -0.35 0.00 -0.03 6.55 3.41 -1.26 -4.88 113.62 117.06 1r6r n SER 24 Ca -0.09 -1.51 -0.04 0.00 -0.26 0.00 0.00 58.87 56.98 1r6r n SER 24 Cb 0.77 -0.10 -0.04 0.00 -0.26 0.00 0.00 64.21 64.57 1r6r n SER 24 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29 1r6r n THR 25 N 0.00 0.41 1.53 6.66 -1.04 -1.26 -4.52 114.28 116.06 1r6r n THR 25 Ca 0.00 -0.22 0.14 0.00 -2.04 0.00 0.00 64.05 61.93 1r6r n THR 25 Cb 0.60 -0.82 0.78 0.00 -1.82 0.00 0.00 70.33 69.07 1r6r n THR 25 CO 0.00 0.00 0.00 0.55 -0.64 0.00 0.00 175.07 174.98 1r6r n VAL 26 N -2.38 0.04 -0.22 12.58 3.14 -1.26 -3.50 118.33 126.73 1r6r n VAL 26 Ca -0.11 0.01 -0.08 0.00 -2.96 0.00 0.00 64.34 61.21 1r6r n VAL 26 Cb 0.68 -0.54 0.05 0.00 -1.06 0.00 0.00 33.84 32.97 1r6r n VAL 26 CO 0.00 0.00 0.00 1.56 -6.46 0.00 0.00 176.83 171.93 1r6r h GLN 27 N 0.00 1.09 -0.44 1.45 1.08 -1.90 -2.59 115.11 113.80 1r6r h GLN 27 Ca 0.00 -0.30 0.09 0.00 -1.45 0.00 0.00 58.65 56.99 1r6r h GLN 27 Cb 0.17 -0.12 -0.09 0.00 -0.05 0.00 0.00 27.48 27.39 1r6r h GLN 27 CO 0.00 1.01 -0.17 -0.56 -0.95 0.00 0.00 178.83 178.16 1r6r h GLN 28 N 1.01 -0.07 -0.15 1.46 -0.00 -1.87 -0.40 115.11 115.09 1r6r h GLN 28 Ca 0.20 0.00 -0.17 0.00 -0.00 0.00 0.00 58.65 58.68 1r6r h GLN 28 Cb 0.47 0.02 -0.01 0.00 -0.00 0.00 0.00 27.48 27.96 1r6r h GLN 28 CO 0.02 -0.05 -0.60 1.37 -0.00 0.00 0.00 178.83 179.57 1r6r h LEU 29 N -0.07 0.57 -2.70 0.06 8.10 -1.80 0.42 115.31 119.89 1r6r h LEU 29 Ca 0.21 -0.32 0.01 0.00 0.11 0.00 0.00 57.88 57.89 1r6r h LEU 29 Cb 0.40 -0.16 -0.00 0.00 -0.44 0.00 0.00 40.66 40.46 1r6r h LEU 29 CO -0.49 1.03 0.06 0.74 -4.11 0.00 0.00 178.44 175.67 1r6r h THR 30 N 0.37 0.16 0.00 0.15 2.02 -0.79 0.11 112.91 114.93 1r6r h THR 30 Ca -0.00 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.18 1r6r h THR 30 Cb 1.15 0.94 0.00 0.00 -1.74 0.00 0.00 68.15 68.50 1r6r h THR 30 CO 0.11 0.00 -0.78 2.29 0.37 0.00 0.00 175.52 177.51 1r6r n LYS 31 N -3.29 2.64 0.01 6.66 2.85 -0.29 -4.59 118.16 122.16 1r6r n LYS 31 Ca -0.02 -0.03 0.11 0.00 -1.05 0.00 0.00 58.31 57.32 1r6r n LYS 31 Cb 0.13 -0.97 -0.08 0.00 -0.65 0.00 0.00 35.03 33.47 1r6r n LYS 31 CO 0.00 0.00 0.00 -2.13 -0.05 0.00 0.00 177.40 175.22 1r6r n ARG 32 N -1.43 0.33 -0.26 -1.58 0.63 0.15 -4.17 116.66 110.33 1r6r n ARG 32 Ca 0.00 -0.06 0.03 0.00 -0.92 0.00 0.00 57.85 56.90 1r6r n ARG 32 Cb 0.13 -1.55 0.13 0.00 0.45 0.00 0.00 32.46 31.62 1r6r n ARG 32 CO 0.00 0.00 0.00 1.97 -2.51 0.00 0.00 177.63 177.09 1r6r n PHE 33 N -1.94 0.61 0.22 -0.14 -1.74 0.31 -4.22 117.46 110.55 1r6r n PHE 33 Ca 0.01 -0.22 0.17 0.00 -0.56 0.00 0.00 57.45 56.84 1r6r n PHE 33 Cb 0.45 -0.19 0.84 0.00 1.52 0.00 0.00 39.48 42.10 1r6r n PHE 33 CO 0.00 0.00 0.00 0.77 -0.56 0.00 0.00 176.76 176.97 1r6r h SER 34 N 1.35 0.00 -0.48 5.98 0.02 -1.82 -0.47 113.55 118.13 1r6r h SER 34 Ca 0.00 0.00 -0.03 0.00 -0.84 0.00 0.00 61.79 60.92 1r6r h SER 34 Cb 0.85 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 63.36 1r6r h SER 34 CO 0.13 0.00 0.20 -0.07 -1.14 0.00 0.00 176.83 175.94 1r6r h LEU 35 N 0.00 0.71 0.00 5.07 4.07 -1.94 -3.48 115.31 119.74 1r6r h LEU 35 Ca 0.08 -0.09 0.00 0.00 0.08 0.00 0.00 57.88 57.95 1r6r h LEU 35 Cb 0.45 -0.18 0.00 0.00 1.08 0.00 0.00 40.66 42.01 1r6r h LEU 35 CO -0.00 0.65 0.00 0.61 -1.08 0.00 0.00 178.44 178.62 1r6r n GLY 36 N -1.04 -1.51 2.33 0.83 0.00 -0.19 -5.00 105.19 100.61 1r6r n GLY 36 Ca 0.04 0.55 -0.17 0.00 0.00 0.00 0.00 46.02 46.44 1r6r n GLY 36 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 1r6r n MET 37 N 0.00 -1.45 -0.00 1.61 1.56 -1.26 -4.76 117.12 112.82 1r6r n MET 37 Ca 0.00 0.99 0.04 0.00 -0.27 0.00 0.00 57.70 58.46 1r6r n MET 37 Cb 0.00 -5.36 -0.06 0.00 2.15 0.00 0.00 33.22 29.96 1r6r n MET 37 CO 0.00 0.00 0.00 1.47 -0.73 0.00 0.00 175.97 176.71 1r6r n LEU 38 N -2.25 0.07 -0.29 -0.89 -0.00 -1.26 -4.61 117.00 107.76 1r6r n LEU 38 Ca -0.18 -0.09 0.07 0.00 -0.00 0.00 0.00 56.01 55.82 1r6r n LEU 38 Cb 0.58 0.00 0.12 0.00 -0.00 0.00 0.00 43.42 44.12 1r6r n LEU 38 CO 0.26 0.02 0.46 1.67 -0.00 0.00 0.00 177.39 179.80 1r6r n GLN 39 N -1.67 1.07 0.00 1.47 -0.06 -1.26 -4.95 117.38 111.98 1r6r n GLN 39 Ca -0.01 -2.42 0.00 0.00 -2.00 0.00 0.00 57.00 52.57 1r6r n GLN 39 Cb 0.19 -1.29 0.00 0.00 -4.06 0.00 0.00 30.24 25.08 1r6r n GLN 39 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 1r6r n GLY 40 N -1.07 1.85 5.70 1.69 0.00 -1.26 -4.97 105.19 107.12 1r6r n GLY 40 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.15 1r6r n GLY 40 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1r6r n ARG 41 N -0.02 0.00 0.00 1.61 3.00 -1.26 -4.29 116.66 115.69 1r6r n ARG 41 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.85 1r6r n ARG 41 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.46 1r6r n ARG 41 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1r6r n GLY 42 N 0.00 -1.64 0.07 5.14 0.00 -1.26 -5.00 105.19 102.50 1r6r n GLY 42 Ca 0.00 0.44 -0.12 0.00 0.00 0.00 0.00 46.02 46.34 1r6r n GLY 42 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1r6r h PRO 43 N 0.00 0.00 0.00 1.61 0.13 -2.05 -3.47 132.00 128.22 1r6r h PRO 43 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 1r6r h PRO 43 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 1r6r h PRO 43 CO 0.00 0.72 0.00 -0.11 -0.23 0.00 0.00 178.00 178.38 1r6r n LEU 44 N -4.62 0.00 -0.00 1.56 0.00 -1.26 -4.71 117.00 107.97 1r6r n LEU 44 Ca -0.11 0.00 0.14 0.00 0.00 0.00 0.00 56.01 56.04 1r6r n LEU 44 Cb 0.39 0.00 0.59 0.00 0.00 0.00 0.00 43.42 44.40 1r6r n LEU 44 CO 0.23 0.00 1.17 0.07 0.00 0.00 0.00 177.39 178.85 1r6r h LYS 45 N 0.22 0.20 -0.64 1.96 2.10 -1.94 -3.01 116.57 115.46 1r6r h LYS 45 Ca 0.00 -0.01 0.20 0.00 -2.00 0.00 0.00 60.65 58.84 1r6r h LYS 45 Cb 0.00 -0.05 -0.12 0.00 -0.90 0.00 0.00 32.23 31.17 1r6r h LYS 45 CO 0.00 0.13 0.10 -0.11 -2.00 0.00 0.00 179.45 177.57 1r6r n LEU 46 N -4.45 0.01 -0.05 7.07 -0.00 -1.26 0.86 117.00 119.18 1r6r n LEU 46 Ca 0.08 1.08 -0.14 0.00 -0.00 0.00 0.00 56.01 57.03 1r6r n LEU 46 Cb 0.41 -0.43 -0.12 0.00 -0.00 0.00 0.00 43.42 43.28 1r6r n LEU 46 CO 0.35 -1.12 0.45 0.15 -0.00 0.00 0.00 177.39 177.22 1r6r h PHE 47 N 0.00 0.03 -0.03 1.96 3.57 -1.94 -2.64 116.94 117.88 1r6r h PHE 47 Ca 0.43 -0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.91 1r6r h PHE 47 Cb 0.97 -0.00 -0.00 0.00 2.79 0.00 0.00 35.95 39.70 1r6r h PHE 47 CO -0.24 0.86 0.02 0.52 -2.23 0.00 0.00 178.31 177.23 1r6r h MET 48 N -0.81 0.04 -0.23 1.11 2.86 -0.17 -1.53 114.93 116.19 1r6r h MET 48 Ca -0.00 -0.00 0.04 0.00 -2.06 0.00 0.00 59.70 57.67 1r6r h MET 48 Cb 0.86 -0.01 -0.03 0.00 0.06 0.00 0.00 31.60 32.48 1r6r h MET 48 CO 0.01 0.06 0.01 0.00 1.06 0.00 0.00 176.91 178.05 1r6r h ALA 49 N 0.97 0.21 0.81 6.32 0.00 0.35 0.48 119.26 128.39 1r6r h ALA 49 Ca 0.01 0.06 -0.04 0.00 0.00 0.00 0.00 54.91 54.94 1r6r h ALA 49 Cb 0.03 0.09 0.01 0.00 0.00 0.00 0.00 17.79 17.92 1r6r h ALA 49 CO -0.00 -0.41 -0.40 1.25 0.00 0.00 0.00 179.25 179.69 1r6r h LEU 50 N 0.09 -0.96 -2.05 0.00 5.85 -1.32 -1.09 115.31 115.83 1r6r h LEU 50 Ca 0.11 0.04 0.03 0.00 0.84 0.00 0.00 57.88 58.90 1r6r h LEU 50 Cb 0.13 0.25 -0.00 0.00 0.37 0.00 0.00 40.66 41.40 1r6r h LEU 50 CO -0.17 -0.67 0.09 0.58 -0.34 0.00 0.00 178.44 177.93 1r6r h VAL 51 N -1.10 0.87 0.43 1.05 2.07 -1.23 -2.52 116.25 115.82 1r6r h VAL 51 Ca -0.11 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.39 1r6r h VAL 51 Cb 0.85 0.94 0.00 0.00 -1.52 0.00 0.00 31.29 31.56 1r6r h VAL 51 CO 0.17 0.00 -0.21 0.00 0.02 0.00 0.00 177.57 177.56 1r6r h ALA 52 N 1.93 -0.57 -0.34 1.67 0.00 0.30 0.45 119.26 122.70 1r6r h ALA 52 Ca 0.06 -0.18 0.07 0.00 0.00 0.00 0.00 54.91 54.86 1r6r h ALA 52 Cb 0.24 0.22 -0.08 0.00 0.00 0.00 0.00 17.79 18.17 1r6r h ALA 52 CO -0.00 -0.68 -0.31 0.35 0.00 0.00 0.00 179.25 178.61 1r6r h PHE 53 N -0.86 -0.84 -0.90 0.00 3.57 -0.84 0.56 116.94 117.65 1r6r h PHE 53 Ca -0.06 0.05 0.01 0.00 3.53 0.00 0.00 57.97 61.50 1r6r h PHE 53 Cb 0.56 0.42 -0.05 0.00 2.79 0.00 0.00 35.95 39.67 1r6r h PHE 53 CO 0.01 -0.37 0.59 -0.07 -2.23 0.00 0.00 178.31 176.24 1r6r h LEU 54 N -0.27 1.03 0.00 0.59 -0.00 -1.44 0.61 115.31 115.83 1r6r h LEU 54 Ca 0.16 -0.03 0.00 0.00 -0.00 0.00 0.00 57.88 58.01 1r6r h LEU 54 Cb 0.52 -0.26 0.00 0.00 -0.00 0.00 0.00 40.66 40.93 1r6r h LEU 54 CO -0.49 0.74 0.00 -1.14 -0.00 0.00 0.00 178.44 177.55 1r6r n ARG 55 N -4.46 0.63 -0.02 1.13 0.00 0.16 0.81 116.66 114.90 1r6r n ARG 55 Ca 0.10 0.02 0.05 0.00 -0.00 0.00 0.00 57.85 58.01 1r6r n ARG 55 Cb 0.02 -1.50 -0.13 0.00 0.00 0.00 0.00 32.46 30.84 1r6r n ARG 55 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.63 178.82 1r6r n PHE 56 N -1.06 0.00 -0.09 -0.14 3.01 0.17 -4.36 117.46 115.00 1r6r n PHE 56 Ca 0.16 0.00 -0.12 0.00 1.01 0.00 0.00 57.45 58.49 1r6r n PHE 56 Cb 0.10 -0.49 -0.08 0.00 -0.01 0.00 0.00 39.48 39.00 1r6r n PHE 56 CO 0.00 0.00 0.00 1.28 1.01 0.00 0.00 176.76 179.05 1r6r n LEU 57 N -2.22 2.89 0.00 4.37 4.77 -0.88 -4.89 117.00 121.05 1r6r n LEU 57 Ca -0.09 -0.08 0.00 0.00 -0.03 0.00 0.00 56.01 55.82 1r6r n LEU 57 Cb 0.59 -0.60 0.00 0.00 -2.33 0.00 0.00 43.42 41.08 1r6r n LEU 57 CO 0.36 0.77 0.00 0.41 -1.33 0.00 0.00 177.39 177.60 1r6r n THR 58 N -3.05 0.00 -3.54 -5.08 -1.04 -0.84 -5.06 114.28 95.67 1r6r n THR 58 Ca -0.31 0.00 -0.25 0.00 -2.04 0.00 0.00 64.05 61.45 1r6r n THR 58 Cb 0.82 0.84 0.05 0.00 -1.82 0.00 0.00 70.33 70.22 1r6r n THR 58 CO 0.00 0.00 0.00 -0.38 -0.64 0.00 0.00 175.07 174.05 1r6r n ILE 59 N 0.00 -6.89 -2.85 12.58 -0.00 0.24 -4.93 119.36 117.51 1r6r n ILE 59 Ca 0.00 -1.07 -0.38 0.00 -0.00 0.00 0.00 62.75 61.30 1r6r n ILE 59 Cb 0.00 -5.04 -0.00 0.00 -0.00 0.00 0.00 39.64 34.60 1r6r n ILE 59 CO 0.00 0.00 0.00 -0.81 -0.00 0.00 0.00 176.55 175.74 1r6r n PRO 60 N -3.87 4.60 -2.17 0.38 -0.04 -1.26 -4.93 135.00 127.71 1r6r n PRO 60 Ca -0.10 -4.67 -0.42 0.00 -0.04 0.00 0.00 63.50 58.27 1r6r n PRO 60 Cb 0.61 -2.43 -0.03 0.00 -0.04 0.00 0.00 33.50 31.61 1r6r n PRO 60 CO 0.00 0.00 0.00 -1.25 -0.04 0.00 0.00 175.50 174.21 1r6r s PRO 61 N -3.63 4.23 1.03 0.54 0.04 -1.26 -5.00 135.00 130.96 1r6r s PRO 61 Ca 0.38 2.00 -0.12 0.00 0.04 0.00 0.00 61.00 63.30 1r6r s PRO 61 Cb 0.16 -3.76 0.21 0.00 0.04 0.00 0.00 34.50 31.15 1r6r s PRO 61 CO -0.05 -0.70 1.07 0.99 0.04 0.00 0.00 177.00 178.35 1r6r s THR 62 N 3.20 2.21 0.23 1.26 2.01 -1.26 -4.81 115.64 118.48 1r6r s THR 62 Ca 0.66 0.07 -0.07 0.00 0.31 0.00 0.00 61.69 62.66 1r6r s THR 62 Cb -0.30 -2.30 0.19 0.00 0.01 0.00 0.00 72.50 70.09 1r6r s THR 62 CO 0.25 -0.09 1.73 0.00 -0.69 0.00 0.00 174.62 175.83 1r6r h ALA 63 N -2.11 0.92 -0.83 7.40 0.00 0.14 -1.25 119.26 123.53 1r6r h ALA 63 Ca -0.54 0.10 0.09 0.00 0.00 0.00 0.00 54.91 54.56 1r6r h ALA 63 Cb 1.31 0.08 -0.07 0.00 0.00 0.00 0.00 17.79 19.11 1r6r h ALA 63 CO 0.51 -0.20 0.48 0.78 0.00 0.00 0.00 179.25 180.82 1r6r h GLY 64 N 0.42 1.27 0.50 0.00 0.00 -1.91 0.30 103.07 103.65 1r6r h GLY 64 Ca 0.36 -0.33 0.10 0.00 0.00 0.00 0.00 47.33 47.46 1r6r h GLY 64 CO -0.36 0.16 0.48 -2.22 0.00 0.00 0.00 176.54 174.60 1r6r h ILE 65 N 0.83 0.90 0.07 2.60 1.08 -1.55 0.61 117.51 122.04 1r6r h ILE 65 Ca 0.39 -0.27 -0.09 0.00 -0.39 0.00 0.00 64.86 64.49 1r6r h ILE 65 Cb 0.31 0.03 0.01 0.00 -3.07 0.00 0.00 36.82 34.10 1r6r h ILE 65 CO -0.23 0.15 -0.42 -0.07 -0.69 0.00 0.00 178.15 176.89 1r6r h LEU 66 N 0.80 0.22 -1.00 1.44 -0.00 -1.20 -1.24 115.31 114.34 1r6r h LEU 66 Ca 0.41 -0.97 0.05 0.00 -0.00 0.00 0.00 57.88 57.37 1r6r h LEU 66 Cb 0.39 -0.07 -0.06 0.00 -0.00 0.00 0.00 40.66 40.92 1r6r h LEU 66 CO -0.26 1.20 0.65 0.11 -0.00 0.00 0.00 178.44 180.14 1r6r h LYS 67 N -0.70 1.18 0.00 1.13 1.79 -0.20 -1.22 116.57 118.56 1r6r h LYS 67 Ca -0.08 -0.07 -0.12 0.00 -2.18 0.00 0.00 60.65 58.20 1r6r h LYS 67 Cb 1.31 -0.27 -0.02 0.00 -1.58 0.00 0.00 32.23 31.68 1r6r h LYS 67 CO 0.07 0.78 -0.57 0.07 -1.08 0.00 0.00 179.45 178.72 1r6r h ARG 68 N 1.22 0.00 -0.85 3.15 0.11 0.13 -3.28 114.38 114.86 1r6r h ARG 68 Ca 0.41 0.00 0.24 0.00 0.10 0.00 0.00 59.98 60.73 1r6r h ARG 68 Cb 0.08 0.00 -0.04 0.00 1.11 0.00 0.00 29.97 31.11 1r6r h ARG 68 CO -0.15 0.57 0.60 2.35 0.10 0.00 0.00 179.97 183.44 1r6r h TRP 69 N 0.00 0.12 -1.58 4.08 -0.00 0.06 -2.49 115.95 116.13 1r6r h TRP 69 Ca -0.01 0.00 -0.62 0.00 -0.00 0.00 0.00 58.89 58.26 1r6r h TRP 69 Cb 1.36 -0.04 -0.39 0.00 -0.00 0.00 0.00 29.16 30.09 1r6r h TRP 69 CO 0.00 0.03 -0.37 0.41 -0.00 0.00 0.00 178.44 178.51 1r6r n GLY 70 N -1.66 5.93 0.61 2.65 0.00 -1.23 -4.62 105.19 106.87 1r6r n GLY 70 Ca 0.18 -2.71 -0.03 0.00 0.00 0.00 0.00 46.02 43.46 1r6r n GLY 70 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 1r6r n THR 71 N -0.50 0.00 0.00 2.61 5.66 -0.94 -5.10 114.28 116.01 1r6r n THR 71 Ca 0.42 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.42 1r6r n THR 71 Cb 0.59 0.19 0.00 0.00 -1.55 0.00 0.00 70.33 69.55 1r6r n THR 71 CO 0.00 0.00 0.00 2.30 -3.05 0.00 0.00 175.07 174.32 1r6r n ILE 72 N 0.00 0.00 -0.00 1.09 -5.35 -1.25 -5.06 119.36 108.80 1r6r n ILE 72 Ca -0.10 0.00 -0.00 0.00 -0.27 0.00 0.00 62.75 62.37 1r6r n ILE 72 Cb 0.45 0.00 -0.00 0.00 -1.74 0.00 0.00 39.64 38.35 1r6r n ILE 72 CO 0.00 0.00 0.00 1.17 -1.76 0.00 0.00 176.55 175.96 1r6r n LYS 73 N 0.00 3.92 0.00 6.28 3.00 -1.26 -5.00 118.16 125.10 1r6r n LYS 73 Ca 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.31 1r6r n LYS 73 Cb 0.00 -1.01 0.00 0.00 0.00 0.00 0.00 35.03 34.02 1r6r n LYS 73 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.40 179.03 1r6r n LYS 74 N -2.02 0.00 -0.10 1.64 4.76 -1.26 -4.46 118.16 116.72 1r6r n LYS 74 Ca -0.01 0.00 0.03 0.00 -2.87 0.00 0.00 58.31 55.47 1r6r n LYS 74 Cb 0.51 -0.07 0.36 0.00 -1.84 0.00 0.00 35.03 33.99 1r6r n LYS 74 CO 0.00 0.00 0.00 1.03 -1.37 0.00 0.00 177.40 177.06 1r6r h SER 75 N 0.00 0.63 0.05 4.39 0.87 -1.98 0.64 113.55 118.14 1r6r h SER 75 Ca 0.00 -0.01 -0.15 0.00 -1.23 0.00 0.00 61.79 60.40 1r6r h SER 75 Cb 0.00 -0.15 0.01 0.00 -0.44 0.00 0.00 62.40 61.82 1r6r h SER 75 CO 0.00 0.45 -0.60 0.11 -0.53 0.00 0.00 176.83 176.26 1r6r h LYS 76 N 0.74 0.32 0.21 2.24 6.56 -1.99 -2.00 116.57 122.65 1r6r h LYS 76 Ca 0.22 -0.41 -0.01 0.00 -1.06 0.00 0.00 60.65 59.39 1r6r h LYS 76 Cb -0.03 0.13 0.00 0.00 -0.57 0.00 0.00 32.23 31.77 1r6r h LYS 76 CO -0.05 1.12 -0.10 0.00 -2.06 0.00 0.00 179.45 178.36 1r6r h ALA 77 N 0.22 -0.28 -0.92 3.86 0.00 -1.77 -0.84 119.26 119.52 1r6r h ALA 77 Ca -0.09 -0.12 0.03 0.00 0.00 0.00 0.00 54.91 54.72 1r6r h ALA 77 Cb 1.37 0.11 -0.05 0.00 0.00 0.00 0.00 17.79 19.21 1r6r h ALA 77 CO 0.12 -0.58 0.60 0.82 0.00 0.00 0.00 179.25 180.21 1r6r h ILE 78 N -0.45 1.18 -0.80 0.00 2.04 0.14 -0.74 117.51 118.89 1r6r h ILE 78 Ca -0.03 -0.41 0.01 0.00 1.00 0.00 0.00 64.86 65.43 1r6r h ILE 78 Cb 0.34 -0.11 -0.04 0.00 -0.74 0.00 0.00 36.82 36.27 1r6r h ILE 78 CO 0.05 0.22 0.53 0.78 0.00 0.00 0.00 178.15 179.72 1r6r h ASN 79 N 1.18 0.93 -0.57 1.72 2.35 -1.16 -1.36 115.58 118.67 1r6r h ASN 79 Ca 0.36 -0.03 0.01 0.00 -0.55 0.00 0.00 56.30 56.09 1r6r h ASN 79 Cb -0.04 -0.23 -0.03 0.00 0.05 0.00 0.00 38.32 38.07 1r6r h ASN 79 CO -0.11 0.68 0.37 0.58 -1.65 0.00 0.00 177.43 177.30 1r6r h VAL 80 N 1.09 1.13 -0.80 2.81 2.07 -0.09 -0.63 116.25 121.83 1r6r h VAL 80 Ca 0.29 -0.26 0.12 0.00 0.82 0.00 0.00 66.70 67.67 1r6r h VAL 80 Cb -0.12 0.31 -0.06 0.00 -1.52 0.00 0.00 31.29 29.91 1r6r h VAL 80 CO -0.06 0.14 0.52 0.25 0.02 0.00 0.00 177.57 178.44 1r6r h LEU 81 N 0.75 0.59 -0.42 2.57 6.46 -0.14 0.51 115.31 125.63 1r6r h LEU 81 Ca 0.21 0.02 -0.06 0.00 -0.12 0.00 0.00 57.88 57.93 1r6r h LEU 81 Cb -0.07 -0.10 -0.02 0.00 -0.73 0.00 0.00 40.66 39.75 1r6r h LEU 81 CO -0.05 0.33 0.03 -0.09 -0.62 0.00 0.00 178.44 178.03 1r6r h ARG 82 N 0.65 0.73 -0.27 1.25 9.65 -0.16 -1.98 114.38 124.24 1r6r h ARG 82 Ca 0.38 -0.22 -0.08 0.00 -1.10 0.00 0.00 59.98 58.97 1r6r h ARG 82 Cb 0.59 -0.07 -0.02 0.00 -1.39 0.00 0.00 29.97 29.08 1r6r h ARG 82 CO -0.15 0.79 -0.16 0.78 2.80 0.00 0.00 179.97 184.03 1r6r h GLY 83 N 0.57 0.51 0.97 2.80 0.00 0.00 -1.98 103.07 105.94 1r6r h GLY 83 Ca 0.12 -0.37 0.04 0.00 0.00 0.00 0.00 47.33 47.13 1r6r h GLY 83 CO 0.02 0.34 0.59 0.74 0.00 0.00 0.00 176.54 178.22 1r6r h PHE 84 N 0.43 1.07 -0.21 5.60 -1.00 0.48 0.18 116.94 123.49 1r6r h PHE 84 Ca 0.08 0.03 -0.05 0.00 2.81 0.00 0.00 57.97 60.83 1r6r h PHE 84 Cb 0.53 -0.36 -0.01 0.00 3.61 0.00 0.00 35.95 39.73 1r6r h PHE 84 CO 0.02 0.61 -0.06 -0.09 -1.61 0.00 0.00 178.31 177.17 1r6r h ARG 85 N 1.09 0.42 0.00 1.51 1.12 -0.66 -0.59 114.38 117.28 1r6r h ARG 85 Ca 0.36 -0.16 -0.03 0.00 -1.11 0.00 0.00 59.98 59.04 1r6r h ARG 85 Cb 0.06 -0.02 -0.00 0.00 -0.01 0.00 0.00 29.97 30.00 1r6r h ARG 85 CO -0.11 0.67 -0.14 -0.22 -3.11 0.00 0.00 179.97 177.06 1r6r h LYS 86 N 0.14 0.00 0.00 0.20 1.63 -0.91 -0.85 116.57 116.78 1r6r h LYS 86 Ca 0.05 0.00 -0.22 0.00 -0.85 0.00 0.00 60.65 59.63 1r6r h LYS 86 Cb 0.52 0.00 0.02 0.00 -0.60 0.00 0.00 32.23 32.17 1r6r h LYS 86 CO 0.02 0.14 -0.86 0.93 -3.45 0.00 0.00 179.45 176.23 1r6r h GLU 87 N 0.00 0.58 -0.49 1.90 4.39 -0.23 -2.27 114.58 118.46 1r6r h GLU 87 Ca -0.00 -0.62 -0.13 0.00 0.34 0.00 0.00 59.36 58.95 1r6r h GLU 87 Cb 0.33 0.18 -0.01 0.00 -0.10 0.00 0.00 28.75 29.15 1r6r h GLU 87 CO 0.02 1.24 -0.19 0.97 -1.16 0.00 0.00 179.01 179.88 1r6r h ILE 88 N 0.18 1.27 -0.88 3.13 6.09 -0.66 -1.40 117.51 125.23 1r6r h ILE 88 Ca -0.11 -1.36 -0.00 0.00 -1.37 0.00 0.00 64.86 62.02 1r6r h ILE 88 Cb 1.54 1.09 -0.04 0.00 0.47 0.00 0.00 36.82 39.87 1r6r h ILE 88 CO 0.17 0.47 0.54 1.23 -3.07 0.00 0.00 178.15 177.49 1r6r h GLY 89 N 0.89 1.27 1.57 8.18 0.00 -1.20 -0.43 103.07 113.34 1r6r h GLY 89 Ca 0.12 -0.52 -0.07 0.00 0.00 0.00 0.00 47.33 46.86 1r6r h GLY 89 CO 0.06 0.50 -0.09 3.21 0.00 0.00 0.00 176.54 180.22 1r6r h ARG 90 N 1.21 0.53 -0.98 4.80 3.08 -0.97 -2.02 114.38 120.03 1r6r h ARG 90 Ca 0.32 -0.14 0.05 0.00 0.07 0.00 0.00 59.98 60.27 1r6r h ARG 90 Cb -0.07 -0.06 -0.06 0.00 0.08 0.00 0.00 29.97 29.86 1r6r h ARG 90 CO -0.06 0.62 0.64 1.98 -1.07 0.00 0.00 179.97 182.08 1r6r h MET 91 N 0.49 1.15 -0.57 0.04 4.05 0.01 0.36 114.93 120.47 1r6r h MET 91 Ca 0.09 -0.07 -0.08 0.00 -0.28 0.00 0.00 59.70 59.37 1r6r h MET 91 Cb 0.46 -0.26 -0.02 0.00 -0.80 0.00 0.00 31.60 30.98 1r6r h MET 91 CO 0.03 0.76 0.04 -0.07 0.23 0.00 0.00 176.91 177.90 1r6r h LEU 92 N 1.18 0.95 -2.11 3.39 3.38 -0.91 0.16 115.31 121.35 1r6r h LEU 92 Ca 0.40 -0.29 0.08 0.00 0.09 0.00 0.00 57.88 58.17 1r6r h LEU 92 Cb 0.09 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.58 1r6r h LEU 92 CO -0.14 1.00 0.31 -1.13 0.09 0.00 0.00 178.44 178.56 1r6r h ASN 93 N 0.86 0.00 0.34 -0.43 -0.00 -0.38 0.53 115.58 116.50 1r6r h ASN 93 Ca 0.17 0.00 -0.33 0.00 -0.00 0.00 0.00 56.30 56.14 1r6r h ASN 93 Cb 0.49 0.00 -0.01 0.00 -0.00 0.00 0.00 38.32 38.80 1r6r h ASN 93 CO 0.02 0.00 -1.67 0.40 -0.00 0.00 0.00 177.43 176.18 1r6r h ILE 94 N 0.00 1.00 -0.60 2.57 2.04 -0.09 -3.35 117.51 119.08 1r6r h ILE 94 Ca 0.13 -2.65 0.00 0.00 1.00 0.00 0.00 64.86 63.34 1r6r h ILE 94 Cb 0.75 2.70 0.00 0.00 -0.74 0.00 0.00 36.82 39.53 1r6r h ILE 94 CO -0.00 0.81 0.00 0.00 0.00 0.00 0.00 178.15 178.96 1r6r n LEU 95 N -3.46 4.73 -0.11 1.44 -0.00 0.20 -4.06 117.00 115.73 1r6r n LEU 95 Ca -0.21 -2.39 0.02 0.00 -0.00 0.00 0.00 56.01 53.44 1r6r n LEU 95 Cb 1.05 -0.59 0.00 0.00 -0.00 0.00 0.00 43.42 43.89 1r6r n LEU 95 CO 0.49 0.74 0.18 0.59 -0.00 0.00 0.00 177.39 179.39 1r6r n ASN 96 N 0.98 0.89 -1.25 1.45 3.02 0.16 -4.54 115.26 115.97 1r6r n ASN 96 Ca 0.25 -0.95 0.08 0.00 -0.03 0.00 0.00 54.58 53.93 1r6r n ASN 96 Cb 0.91 0.43 0.30 0.00 -0.61 0.00 0.00 39.78 40.81 1r6r n ASN 96 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 1r6r n ARG 97 N -0.32 3.46 0.12 3.52 1.74 -1.26 -4.52 116.66 119.40 1r6r n ARG 97 Ca 0.02 -2.73 0.03 0.00 -0.77 0.00 0.00 57.85 54.40 1r6r n ARG 97 Cb 0.10 -1.78 0.43 0.00 -1.02 0.00 0.00 32.46 30.19 1r6r n ARG 97 CO 0.00 0.00 0.00 0.07 -1.52 0.00 0.00 177.63 176.18 1r6r h ARG 98 N 3.11 0.24 -2.62 5.56 0.11 -1.80 -3.45 114.38 115.53 1r6r h ARG 98 Ca 0.00 -0.04 -0.28 0.00 0.10 0.00 0.00 59.98 59.75 1r6r h ARG 98 Cb 1.35 -0.04 -0.06 0.00 1.11 0.00 0.00 29.97 32.33 1r6r h ARG 98 CO 0.20 0.32 -0.32 -2.13 0.10 0.00 0.00 179.97 178.14 1r6r n ARG 99 N -4.34 -1.76 0.00 0.08 0.00 -1.26 -5.23 116.66 104.16 1r6r n ARG 99 Ca -0.01 0.75 0.00 0.00 -0.00 0.00 0.00 57.85 58.59 1r6r n ARG 99 Cb 0.21 -5.20 0.00 0.00 0.00 0.00 0.00 32.46 27.47 1r6r n ARG 99 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.63 175.50