#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 -1.92 0.00 1.20 1.74 -1.26 -4.39 116.66 112.04 1r6r n ARG 22 Ca 0.00 0.71 0.00 0.00 -0.77 0.00 0.00 57.85 57.79 1r6r n ARG 22 Cb 0.00 -5.22 0.00 0.00 -1.02 0.00 0.00 32.46 26.22 1r6r n ARG 22 CO 0.00 0.00 0.00 1.55 -1.52 0.00 0.00 177.63 177.66 1r6r n VAL 23 N -3.08 0.00 1.23 1.55 3.14 -1.26 -0.07 118.33 119.85 1r6r n VAL 23 Ca -0.16 0.00 0.02 0.00 -2.96 0.00 0.00 64.34 61.25 1r6r n VAL 23 Cb 0.58 0.00 0.08 0.00 -1.06 0.00 0.00 33.84 33.44 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 -0.13 1.20 -0.13 6.55 3.41 -1.26 -3.81 113.62 119.45 1r6r n SER 24 Ca 0.00 -2.06 -0.18 0.00 -0.26 0.00 0.00 58.87 56.38 1r6r n SER 24 Cb 0.00 -0.23 -0.12 0.00 -0.26 0.00 0.00 64.21 63.60 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 0.02 1.49 0.88 6.66 -1.04 -1.26 -4.26 114.28 116.78 1r6r n THR 25 Ca 0.06 -0.58 0.10 0.00 -2.04 0.00 0.00 64.05 61.58 1r6r n THR 25 Cb 0.23 -1.40 0.48 0.00 -1.82 0.00 0.00 70.33 67.82 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 -3.25 0.45 -0.34 12.58 3.14 -1.25 -3.34 118.33 126.33 1r6r n VAL 26 Ca -0.46 0.11 0.03 0.00 -2.96 0.00 0.00 64.34 61.06 1r6r n VAL 26 Cb 0.99 -0.79 0.20 0.00 -1.06 0.00 0.00 33.84 33.19 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 -0.17 1.45 1.08 -1.74 -2.03 115.11 114.80 1r6r h GLN 27 Ca 0.00 -0.07 0.05 0.00 -1.45 0.00 0.00 58.65 57.19 1r6r h GLN 27 Cb 0.21 -0.25 -0.06 0.00 -0.05 0.00 0.00 27.48 27.33 1r6r h GLN 27 CO 0.00 0.72 -0.26 -0.56 -0.95 0.00 0.00 178.83 177.79 1r6r h GLN 28 N 1.13 -0.30 0.00 1.46 -0.00 -1.85 -1.17 115.11 114.39 1r6r h GLN 28 Ca 0.40 0.02 -0.08 0.00 -0.00 0.00 0.00 58.65 58.99 1r6r h GLN 28 Cb 0.13 0.07 -0.01 0.00 -0.00 0.00 0.00 27.48 27.67 1r6r h GLN 28 CO -0.15 -0.20 -0.38 1.37 -0.00 0.00 0.00 178.83 179.47 1r6r h LEU 29 N -0.31 0.00 -1.64 0.06 8.10 -1.78 -1.64 115.31 118.11 1r6r h LEU 29 Ca 0.11 0.00 -0.04 0.00 0.11 0.00 0.00 57.88 58.06 1r6r h LEU 29 Cb 0.48 0.00 -0.01 0.00 -0.44 0.00 0.00 40.66 40.69 1r6r h LEU 29 CO -0.34 0.38 -0.20 0.74 -4.11 0.00 0.00 178.44 174.91 1r6r h THR 30 N 0.00 0.90 0.00 0.15 2.02 -0.51 -0.43 112.91 115.03 1r6r h THR 30 Ca -0.00 -0.76 -0.08 0.00 0.77 0.00 0.00 66.41 66.34 1r6r h THR 30 Cb 0.95 1.44 -0.01 0.00 -1.74 0.00 0.00 68.15 68.79 1r6r h THR 30 CO 0.05 0.20 -2.01 2.29 0.37 0.00 0.00 175.52 176.42 1r6r n LYS 31 N -3.93 0.66 0.08 6.66 2.85 -0.58 -4.18 118.16 119.71 1r6r n LYS 31 Ca -0.02 -0.14 -0.02 0.00 -1.05 0.00 0.00 58.31 57.09 1r6r n LYS 31 Cb 0.29 -1.54 -0.06 0.00 -0.65 0.00 0.00 35.03 33.07 1r6r n LYS 31 CO 0.00 0.00 0.00 -0.09 -0.05 0.00 0.00 177.40 177.26 1r6r h ARG 32 N 0.00 0.00 -0.39 -1.58 2.43 -1.03 -3.27 114.38 110.54 1r6r h ARG 32 Ca -0.11 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.06 1r6r h ARG 32 Cb 1.26 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.81 1r6r h ARG 32 CO 0.01 0.58 0.00 1.97 -1.51 0.00 0.00 179.97 181.02 1r6r n PHE 33 N -3.16 0.52 -0.55 2.20 -1.74 -0.20 -4.02 117.46 110.51 1r6r n PHE 33 Ca -0.03 -0.26 0.02 0.00 -0.56 0.00 0.00 57.45 56.62 1r6r n PHE 33 Cb 0.85 0.00 0.30 0.00 1.52 0.00 0.00 39.48 42.15 1r6r n PHE 33 CO 0.00 0.00 0.00 0.43 -0.56 0.00 0.00 176.76 176.63 1r6r n SER 34 N 0.71 4.64 -0.86 5.98 7.64 -1.23 -2.53 113.62 127.96 1r6r n SER 34 Ca 0.15 -2.82 -0.04 0.00 1.01 0.00 0.00 58.87 57.17 1r6r n SER 34 Cb 0.36 -0.67 -0.04 0.00 -1.01 0.00 0.00 64.21 62.86 1r6r n SER 34 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1r6r n LEU 35 N 0.32 -0.62 0.00 -3.43 -0.00 -1.26 -4.94 117.00 107.07 1r6r n LEU 35 Ca 0.26 -1.27 0.00 0.00 -0.00 0.00 0.00 56.01 55.00 1r6r n LEU 35 Cb 1.07 0.02 0.00 0.00 -0.00 0.00 0.00 43.42 44.50 1r6r n LEU 35 CO 0.29 1.13 0.00 0.61 -0.00 0.00 0.00 177.39 179.42 1r6r n GLY 36 N -0.04 -0.07 0.40 1.47 0.00 -1.26 -4.93 105.19 100.75 1r6r n GLY 36 Ca -0.17 -0.02 0.13 0.00 0.00 0.00 0.00 46.02 45.96 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 -1.51 1.18 0.32 1.61 1.56 -1.24 -1.14 117.12 117.89 1r6r n MET 37 Ca 0.00 -0.80 0.20 0.00 -0.27 0.00 0.00 57.70 56.84 1r6r n MET 37 Cb 0.00 -1.48 1.08 0.00 2.15 0.00 0.00 33.22 34.97 1r6r n MET 37 CO 0.00 0.00 0.00 1.37 -0.73 0.00 0.00 175.97 176.61 1r6r h LEU 38 N 1.94 0.00 0.00 -0.89 -0.00 -1.85 -2.73 115.31 111.78 1r6r h LEU 38 Ca 0.00 0.00 -0.02 0.00 -0.00 0.00 0.00 57.88 57.86 1r6r h LEU 38 Cb 0.60 0.00 -0.00 0.00 -0.00 0.00 0.00 40.66 41.26 1r6r h LEU 38 CO 0.00 0.00 -1.17 1.67 -0.00 0.00 0.00 178.44 178.94 1r6r n GLN 39 N -3.23 1.06 0.00 0.17 7.27 -1.26 -5.00 117.38 116.39 1r6r n GLN 39 Ca -0.02 -0.02 0.00 0.00 0.07 0.00 0.00 57.00 57.02 1r6r n GLN 39 Cb 0.15 -1.08 0.00 0.00 2.41 0.00 0.00 30.24 31.72 1r6r n GLN 39 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1r6r n GLY 40 N 2.45 0.58 6.85 1.69 0.00 -1.03 -5.06 105.19 110.67 1r6r n GLY 40 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.00 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 0.00 0.00 0.00 1.61 3.00 -0.29 -4.45 116.66 116.52 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 -1.85 0.11 5.14 0.00 -1.26 -4.98 105.19 102.34 1r6r n GLY 42 Ca 0.00 0.49 -0.19 0.00 0.00 0.00 0.00 46.02 46.31 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 0.20 -1.46 1.61 0.13 -2.01 -3.47 132.00 126.99 1r6r h PRO 43 Ca 0.00 -0.34 -0.33 0.00 -0.87 0.00 0.00 66.00 64.46 1r6r h PRO 43 Cb 0.00 0.13 -0.12 0.00 0.13 0.00 0.00 31.00 31.14 1r6r h PRO 43 CO 0.00 1.16 -0.32 -0.11 -0.23 0.00 0.00 178.00 178.51 1r6r n LEU 44 N -4.20 -1.23 -0.05 1.56 0.00 -1.26 -4.79 117.00 107.03 1r6r n LEU 44 Ca -0.18 0.37 -0.12 0.00 0.00 0.00 0.00 56.01 56.08 1r6r n LEU 44 Cb 0.76 -2.37 -0.14 0.00 0.00 0.00 0.00 43.42 41.66 1r6r n LEU 44 CO 0.41 -0.78 -0.87 2.29 0.00 0.00 0.00 177.39 178.44 1r6r n LYS 45 N -2.17 0.67 -0.27 1.96 2.85 -1.26 -4.32 118.16 115.62 1r6r n LYS 45 Ca -0.17 0.18 0.25 0.00 -1.05 0.00 0.00 58.31 57.52 1r6r n LYS 45 Cb 0.55 -1.66 0.46 0.00 -0.65 0.00 0.00 35.03 33.73 1r6r n LYS 45 CO 0.00 0.00 0.00 -0.11 -0.05 0.00 0.00 177.40 177.24 1r6r n LEU 46 N -3.06 0.24 -0.02 -5.58 -0.00 -1.26 0.67 117.00 107.98 1r6r n LEU 46 Ca -0.28 1.39 -0.16 0.00 -0.00 0.00 0.00 56.01 56.96 1r6r n LEU 46 Cb 1.08 -0.66 -0.11 0.00 -0.00 0.00 0.00 43.42 43.73 1r6r n LEU 46 CO 0.42 -1.54 0.37 0.15 -0.00 0.00 0.00 177.39 176.79 1r6r h PHE 47 N 0.00 0.32 -0.07 1.96 3.57 -1.98 -2.62 116.94 118.11 1r6r h PHE 47 Ca 0.68 -0.17 -0.00 0.00 3.53 0.00 0.00 57.97 62.01 1r6r h PHE 47 Cb 1.77 -0.04 -0.00 0.00 2.79 0.00 0.00 35.95 40.47 1r6r h PHE 47 CO -0.06 0.97 0.04 1.98 -2.23 0.00 0.00 178.31 179.01 1r6r h MET 48 N -0.42 0.10 -0.38 1.11 4.05 0.04 -2.33 114.93 117.10 1r6r h MET 48 Ca -0.04 -0.01 0.05 0.00 -0.28 0.00 0.00 59.70 59.42 1r6r h MET 48 Cb 1.06 -0.02 -0.05 0.00 -0.80 0.00 0.00 31.60 31.79 1r6r h MET 48 CO 0.06 0.15 0.11 0.00 0.23 0.00 0.00 176.91 177.46 1r6r h ALA 49 N 0.94 0.43 0.51 0.39 0.00 0.05 0.56 119.26 122.15 1r6r h ALA 49 Ca 0.03 0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.97 1r6r h ALA 49 Cb 0.08 0.05 -0.00 0.00 0.00 0.00 0.00 17.79 17.92 1r6r h ALA 49 CO -0.00 -0.29 -0.31 1.25 0.00 0.00 0.00 179.25 179.90 1r6r h LEU 50 N 0.25 -0.78 -1.58 0.00 5.85 -1.30 0.17 115.31 117.92 1r6r h LEU 50 Ca 0.18 0.04 0.01 0.00 0.84 0.00 0.00 57.88 58.95 1r6r h LEU 50 Cb 0.18 0.23 -0.02 0.00 0.37 0.00 0.00 40.66 41.42 1r6r h LEU 50 CO -0.21 -0.48 0.30 0.58 -0.34 0.00 0.00 178.44 178.29 1r6r h VAL 51 N -0.77 1.09 -0.21 1.05 2.07 -1.36 -2.14 116.25 115.98 1r6r h VAL 51 Ca -0.07 -0.20 -0.01 0.00 0.82 0.00 0.00 66.70 67.24 1r6r h VAL 51 Cb 0.61 0.47 -0.01 0.00 -1.52 0.00 0.00 31.29 30.84 1r6r h VAL 51 CO 0.07 0.10 0.09 0.00 0.02 0.00 0.00 177.57 177.86 1r6r h ALA 52 N 1.73 0.27 0.04 1.67 0.00 0.39 0.45 119.26 123.81 1r6r h ALA 52 Ca 0.17 -0.10 0.03 0.00 0.00 0.00 0.00 54.91 55.01 1r6r h ALA 52 Cb -0.02 -0.08 -0.05 0.00 0.00 0.00 0.00 17.79 17.64 1r6r h ALA 52 CO -0.04 -0.15 -0.37 0.35 0.00 0.00 0.00 179.25 179.04 1r6r h PHE 53 N 0.19 -1.04 -0.73 0.00 3.57 -0.02 0.49 116.94 119.41 1r6r h PHE 53 Ca 0.07 0.03 0.02 0.00 3.53 0.00 0.00 57.97 61.62 1r6r h PHE 53 Cb 0.16 0.45 -0.04 0.00 2.79 0.00 0.00 35.95 39.31 1r6r h PHE 53 CO -0.02 -0.47 0.48 -0.07 -2.23 0.00 0.00 178.31 176.01 1r6r h LEU 54 N -0.56 0.79 0.00 0.59 -0.00 -1.32 0.20 115.31 115.01 1r6r h LEU 54 Ca 0.04 -0.01 0.00 0.00 -0.00 0.00 0.00 57.88 57.91 1r6r h LEU 54 Cb 0.62 -0.19 0.00 0.00 -0.00 0.00 0.00 40.66 41.09 1r6r h LEU 54 CO -0.27 0.55 0.00 -1.14 -0.00 0.00 0.00 178.44 177.59 1r6r n ARG 55 N -4.44 0.08 -0.01 1.13 0.00 0.16 0.84 116.66 114.41 1r6r n ARG 55 Ca 0.09 0.18 0.05 0.00 -0.00 0.00 0.00 57.85 58.16 1r6r n ARG 55 Cb 0.09 -1.50 -0.14 0.00 0.00 0.00 0.00 32.46 30.91 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 -1.43 0.25 -0.09 -0.14 3.01 0.15 -4.19 117.46 115.02 1r6r n PHE 56 Ca 0.05 0.08 -0.13 0.00 1.01 0.00 0.00 57.45 58.47 1r6r n PHE 56 Cb 0.18 -0.75 -0.09 0.00 -0.01 0.00 0.00 39.48 38.80 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 -2.51 2.68 0.00 4.37 4.77 -0.92 -4.89 117.00 120.49 1r6r n LEU 57 Ca -0.11 -0.09 0.00 0.00 -0.03 0.00 0.00 56.01 55.78 1r6r n LEU 57 Cb 0.74 -0.57 0.00 0.00 -2.33 0.00 0.00 43.42 41.27 1r6r n LEU 57 CO 0.44 0.78 0.00 0.41 -1.33 0.00 0.00 177.39 177.69 1r6r n THR 58 N -3.01 0.00 -3.54 -5.08 -1.04 -0.30 -5.06 114.28 96.25 1r6r n THR 58 Ca -0.33 0.00 -0.26 0.00 -2.04 0.00 0.00 64.05 61.42 1r6r n THR 58 Cb 0.88 0.74 0.05 0.00 -1.82 0.00 0.00 70.33 70.18 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 -6.93 -2.80 12.58 -0.00 0.25 -4.92 119.36 117.54 1r6r n ILE 59 Ca 0.00 -1.06 -0.38 0.00 -0.00 0.00 0.00 62.75 61.32 1r6r n ILE 59 Cb 0.01 -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 -3.83 4.69 -2.12 0.38 -0.04 -1.26 -4.94 135.00 127.89 1r6r n PRO 60 Ca -0.09 -4.70 -0.43 0.00 -0.04 0.00 0.00 63.50 58.25 1r6r n PRO 60 Cb 0.60 -2.42 -0.02 0.00 -0.04 0.00 0.00 33.50 31.62 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 -3.83 3.59 1.06 0.54 0.04 -1.26 -4.98 135.00 130.15 1r6r s PRO 61 Ca 0.40 1.44 -0.14 0.00 0.04 0.00 0.00 61.00 62.75 1r6r s PRO 61 Cb 0.19 -4.09 0.15 0.00 0.04 0.00 0.00 34.50 30.79 1r6r s PRO 61 CO -0.09 -1.55 0.63 -2.37 0.04 0.00 0.00 177.00 173.66 1r6r n THR 62 N 6.91 0.00 -0.23 1.26 5.66 -1.26 -4.78 114.28 121.84 1r6r n THR 62 Ca 0.20 -0.26 0.04 0.00 -3.05 0.00 0.00 64.05 60.98 1r6r n THR 62 Cb 0.46 -0.80 0.15 0.00 -1.55 0.00 0.00 70.33 68.59 1r6r n THR 62 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1r6r h ALA 63 N -2.10 0.84 -0.32 1.79 0.00 -0.80 -1.99 119.26 116.67 1r6r h ALA 63 Ca -0.51 0.17 0.05 0.00 0.00 0.00 0.00 54.91 54.62 1r6r h ALA 63 Cb 1.32 0.24 -0.05 0.00 0.00 0.00 0.00 17.79 19.29 1r6r h ALA 63 CO 0.41 -0.34 0.01 0.78 0.00 0.00 0.00 179.25 180.11 1r6r h GLY 64 N 0.24 0.32 -0.34 0.00 0.00 -1.84 -1.27 103.07 100.18 1r6r h GLY 64 Ca 0.38 0.03 0.31 0.00 0.00 0.00 0.00 47.33 48.05 1r6r h GLY 64 CO -0.49 -0.06 0.75 -2.22 0.00 0.00 0.00 176.54 174.51 1r6r h ILE 65 N 0.11 0.44 0.00 2.60 1.08 -1.67 0.55 117.51 120.61 1r6r h ILE 65 Ca 0.15 -0.08 -0.03 0.00 -0.39 0.00 0.00 64.86 64.51 1r6r h ILE 65 Cb 0.20 0.17 -0.00 0.00 -3.07 0.00 0.00 36.82 34.12 1r6r h ILE 65 CO -0.25 0.04 -0.19 -0.07 -0.69 0.00 0.00 178.15 177.00 1r6r h LEU 66 N 0.24 0.00 -1.50 1.44 -0.00 -1.28 -1.33 115.31 112.88 1r6r h LEU 66 Ca 0.62 -0.72 0.07 0.00 -0.00 0.00 0.00 57.88 57.85 1r6r h LEU 66 Cb 1.87 0.00 -0.04 0.00 -0.00 0.00 0.00 40.66 42.49 1r6r h LEU 66 CO -0.23 0.97 0.43 0.11 -0.00 0.00 0.00 178.44 179.72 1r6r h LYS 67 N -1.00 0.58 0.00 1.13 1.79 -0.31 -0.40 116.57 118.37 1r6r h LYS 67 Ca -0.05 -0.04 -0.21 0.00 -2.18 0.00 0.00 60.65 58.18 1r6r h LYS 67 Cb 0.84 -0.13 -0.03 0.00 -1.58 0.00 0.00 32.23 31.33 1r6r h LYS 67 CO -0.03 0.39 -1.01 0.07 -1.08 0.00 0.00 179.45 177.79 1r6r h ARG 68 N 0.60 0.00 -1.10 3.15 0.11 -0.05 -3.30 114.38 113.79 1r6r h ARG 68 Ca 0.29 -0.01 0.31 0.00 0.10 0.00 0.00 59.98 60.67 1r6r h ARG 68 Cb 0.35 0.00 -0.10 0.00 1.11 0.00 0.00 29.97 31.33 1r6r h ARG 68 CO -0.09 1.00 0.71 2.35 0.10 0.00 0.00 179.97 184.03 1r6r h TRP 69 N 0.00 0.64 -0.93 4.08 -0.00 0.15 0.02 115.95 119.91 1r6r h TRP 69 Ca -0.01 0.02 -0.63 0.00 -0.00 0.00 0.00 58.89 58.27 1r6r h TRP 69 Cb 1.77 -0.18 -0.34 0.00 -0.00 0.00 0.00 29.16 30.41 1r6r h TRP 69 CO 0.00 -0.01 0.25 0.41 -0.00 0.00 0.00 178.44 179.08 1r6r n GLY 70 N -1.48 6.07 0.70 2.65 0.00 -1.22 -4.46 105.19 107.45 1r6r n GLY 70 Ca 0.28 -2.45 -0.03 0.00 0.00 0.00 0.00 46.02 43.82 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 -0.83 0.00 0.00 2.61 5.66 -0.02 -5.11 114.28 116.59 1r6r n THR 71 Ca 0.56 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.56 1r6r n THR 71 Cb 0.77 0.24 0.00 0.00 -1.55 0.00 0.00 70.33 69.79 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 -0.05 1.09 -5.35 -1.14 -5.02 119.36 108.90 1r6r n ILE 72 Ca -0.13 0.00 -0.06 0.00 -0.27 0.00 0.00 62.75 62.28 1r6r n ILE 72 Cb 0.52 0.00 -0.05 0.00 -1.74 0.00 0.00 39.64 38.38 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 0.68 0.00 6.28 3.00 -1.26 -4.99 118.16 121.87 1r6r n LYS 73 Ca 0.00 0.04 0.00 0.00 -0.00 0.00 0.00 58.31 58.35 1r6r n LYS 73 Cb 0.00 -1.19 0.00 0.00 0.00 0.00 0.00 35.03 33.84 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 -2.69 0.00 -0.15 1.64 4.76 -1.26 -4.46 118.16 116.00 1r6r n LYS 74 Ca -0.16 0.00 -0.06 0.00 -2.87 0.00 0.00 58.31 55.22 1r6r n LYS 74 Cb 0.69 0.00 0.03 0.00 -1.84 0.00 0.00 35.03 33.91 1r6r n LYS 74 CO 0.00 0.00 0.00 0.66 -1.37 0.00 0.00 177.40 176.69 1r6r h SER 75 N 0.00 0.40 0.05 4.39 4.64 -1.98 0.60 113.55 121.65 1r6r h SER 75 Ca 0.00 0.01 -0.27 0.00 -0.47 0.00 0.00 61.79 61.06 1r6r h SER 75 Cb 0.00 -0.07 0.02 0.00 -0.31 0.00 0.00 62.40 62.04 1r6r h SER 75 CO 0.00 0.28 -1.09 0.11 -0.87 0.00 0.00 176.83 175.27 1r6r h LYS 76 N 0.51 0.65 0.30 4.77 1.79 -1.99 -2.21 116.57 120.40 1r6r h LYS 76 Ca 0.19 -0.76 -0.01 0.00 -2.18 0.00 0.00 60.65 57.88 1r6r h LYS 76 Cb 0.04 0.23 0.00 0.00 -1.58 0.00 0.00 32.23 30.93 1r6r h LYS 76 CO -0.10 1.33 -0.14 0.00 -1.08 0.00 0.00 179.45 179.46 1r6r h ALA 77 N 0.34 -0.40 -0.70 3.86 0.00 -1.80 0.40 119.26 120.97 1r6r h ALA 77 Ca -0.15 -0.12 0.01 0.00 0.00 0.00 0.00 54.91 54.65 1r6r h ALA 77 Cb 1.76 0.16 -0.04 0.00 0.00 0.00 0.00 17.79 19.67 1r6r h ALA 77 CO 0.21 -0.67 0.46 0.82 0.00 0.00 0.00 179.25 180.07 1r6r h ILE 78 N -0.51 1.16 -0.67 0.00 2.04 0.11 0.18 117.51 119.81 1r6r h ILE 78 Ca -0.04 -0.32 -0.05 0.00 1.00 0.00 0.00 64.86 65.45 1r6r h ILE 78 Cb 0.38 0.16 -0.03 0.00 -0.74 0.00 0.00 36.82 36.59 1r6r h ILE 78 CO 0.07 0.17 0.23 0.78 0.00 0.00 0.00 178.15 179.39 1r6r h ASN 79 N 0.92 0.93 0.16 1.72 2.35 -1.21 -0.23 115.58 120.22 1r6r h ASN 79 Ca 0.26 -0.15 -0.01 0.00 -0.55 0.00 0.00 56.30 55.85 1r6r h ASN 79 Cb -0.08 -0.24 0.00 0.00 0.05 0.00 0.00 38.32 38.05 1r6r h ASN 79 CO -0.07 0.86 -0.08 0.58 -1.65 0.00 0.00 177.43 177.08 1r6r h VAL 80 N 0.98 0.89 -0.44 2.81 2.07 0.98 0.16 116.25 123.70 1r6r h VAL 80 Ca 0.22 -0.18 0.06 0.00 0.82 0.00 0.00 66.70 67.61 1r6r h VAL 80 Cb 0.25 1.00 -0.02 0.00 -1.52 0.00 0.00 31.29 31.00 1r6r h VAL 80 CO -0.01 0.04 0.30 -0.07 0.02 0.00 0.00 177.57 177.85 1r6r h LEU 81 N -0.30 0.31 -0.31 2.57 4.07 -0.35 0.20 115.31 121.51 1r6r h LEU 81 Ca -0.02 -0.00 -0.15 0.00 0.08 0.00 0.00 57.88 57.79 1r6r h LEU 81 Cb 0.23 -0.07 -0.00 0.00 1.08 0.00 0.00 40.66 41.90 1r6r h LEU 81 CO 0.04 0.21 -0.40 -0.09 -1.08 0.00 0.00 178.44 177.11 1r6r h ARG 82 N 0.36 0.81 -0.38 1.13 9.65 -0.33 -2.05 114.38 123.57 1r6r h ARG 82 Ca 0.19 -0.46 -0.06 0.00 -1.10 0.00 0.00 59.98 58.55 1r6r h ARG 82 Cb 0.30 0.03 -0.02 0.00 -1.39 0.00 0.00 29.97 28.89 1r6r h ARG 82 CO -0.04 1.10 -0.01 0.78 2.80 0.00 0.00 179.97 184.59 1r6r h GLY 83 N 0.59 0.66 1.02 2.80 0.00 0.11 -2.12 103.07 106.12 1r6r h GLY 83 Ca 0.04 -0.41 -0.05 0.00 0.00 0.00 0.00 47.33 46.91 1r6r h GLY 83 CO 0.09 0.38 0.22 0.74 0.00 0.00 0.00 176.54 177.98 1r6r h PHE 84 N 0.58 1.02 -0.86 5.60 0.04 -0.45 0.41 116.94 123.27 1r6r h PHE 84 Ca 0.12 -0.09 0.02 0.00 2.80 0.00 0.00 57.97 60.82 1r6r h PHE 84 Cb 0.38 -0.30 -0.05 0.00 2.20 0.00 0.00 35.95 38.19 1r6r h PHE 84 CO 0.02 0.82 0.56 -0.09 -0.60 0.00 0.00 178.31 179.02 1r6r h ARG 85 N 0.92 1.09 -0.02 1.51 1.12 -0.74 0.40 114.38 118.66 1r6r h ARG 85 Ca 0.21 -0.07 -0.17 0.00 -1.11 0.00 0.00 59.98 58.84 1r6r h ARG 85 Cb 0.26 -0.25 -0.01 0.00 -0.01 0.00 0.00 29.97 29.96 1r6r h ARG 85 CO -0.01 0.72 -0.76 -0.22 -3.11 0.00 0.00 179.97 176.59 1r6r h LYS 86 N 1.12 0.17 -0.33 0.20 1.63 -0.91 -1.88 116.57 116.57 1r6r h LYS 86 Ca 0.33 -0.15 -0.13 0.00 -0.85 0.00 0.00 60.65 59.84 1r6r h LYS 86 Cb -0.07 0.04 -0.01 0.00 -0.60 0.00 0.00 32.23 31.59 1r6r h LYS 86 CO -0.09 0.85 -0.34 0.93 -3.45 0.00 0.00 179.45 177.35 1r6r h GLU 87 N 0.11 0.72 -0.24 1.90 5.08 0.84 -1.70 114.58 121.29 1r6r h GLU 87 Ca -0.02 -0.34 -0.18 0.00 -1.00 0.00 0.00 59.36 57.81 1r6r h GLU 87 Cb 1.33 -0.01 -0.00 0.00 0.50 0.00 0.00 28.75 30.58 1r6r h GLU 87 CO 0.11 0.96 -0.57 0.97 -1.00 0.00 0.00 179.01 179.48 1r6r h ILE 88 N 0.61 1.29 -0.23 3.13 2.10 -0.17 -1.96 117.51 122.28 1r6r h ILE 88 Ca 0.06 -1.79 -0.03 0.00 1.08 0.00 0.00 64.86 64.19 1r6r h ILE 88 Cb 0.86 1.72 -0.01 0.00 -1.09 0.00 0.00 36.82 38.30 1r6r h ILE 88 CO 0.08 0.57 0.01 1.23 -1.08 0.00 0.00 178.15 178.96 1r6r h GLY 89 N 0.83 0.36 1.28 8.18 0.00 -1.17 -1.33 103.07 111.23 1r6r h GLY 89 Ca 0.01 -0.18 -0.16 0.00 0.00 0.00 0.00 47.33 47.00 1r6r h GLY 89 CO 0.12 0.17 -0.45 3.21 0.00 0.00 0.00 176.54 179.59 1r6r h ARG 90 N 0.33 0.78 -0.93 4.80 3.08 -0.98 -2.28 114.38 119.17 1r6r h ARG 90 Ca 0.08 -0.43 0.05 0.00 0.07 0.00 0.00 59.98 59.75 1r6r h ARG 90 Cb 0.20 0.03 -0.06 0.00 0.08 0.00 0.00 29.97 30.22 1r6r h ARG 90 CO 0.00 1.06 0.61 1.98 -1.07 0.00 0.00 179.97 182.55 1r6r h MET 91 N 0.62 1.08 -0.53 0.04 4.05 -0.49 0.10 114.93 119.81 1r6r h MET 91 Ca 0.04 -0.07 -0.05 0.00 -0.28 0.00 0.00 59.70 59.35 1r6r h MET 91 Cb 1.01 -0.24 -0.02 0.00 -0.80 0.00 0.00 31.60 31.55 1r6r h MET 91 CO 0.10 0.72 0.14 -0.07 0.23 0.00 0.00 176.91 178.03 1r6r h LEU 92 N 1.12 0.79 -2.18 3.39 3.38 -1.18 0.19 115.31 120.82 1r6r h LEU 92 Ca 0.38 -0.22 0.06 0.00 0.09 0.00 0.00 57.88 58.19 1r6r h LEU 92 Cb 0.10 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.63 1r6r h LEU 92 CO -0.13 0.81 0.26 -1.13 0.09 0.00 0.00 178.44 178.34 1r6r h ASN 93 N 0.74 0.00 0.29 -0.43 -0.73 -0.44 0.38 115.58 115.39 1r6r h ASN 93 Ca 0.17 0.00 -0.33 0.00 1.87 0.00 0.00 56.30 58.00 1r6r h ASN 93 Cb 0.32 0.00 -0.01 0.00 0.27 0.00 0.00 38.32 38.90 1r6r h ASN 93 CO -0.00 0.00 -1.75 0.40 -0.37 0.00 0.00 177.43 175.71 1r6r h ILE 94 N 0.00 0.91 -0.54 2.57 2.04 0.11 -3.25 117.51 119.35 1r6r h ILE 94 Ca 0.11 -2.58 0.00 0.00 1.00 0.00 0.00 64.86 63.39 1r6r h ILE 94 Cb 0.62 2.65 0.00 0.00 -0.74 0.00 0.00 36.82 39.35 1r6r h ILE 94 CO -0.00 0.82 0.00 0.00 0.00 0.00 0.00 178.15 178.97 1r6r n LEU 95 N -3.46 3.61 0.00 1.44 -0.00 0.42 -4.06 117.00 114.95 1r6r n LEU 95 Ca -0.23 -1.81 0.00 0.00 -0.00 0.00 0.00 56.01 53.96 1r6r n LEU 95 Cb 1.06 -0.47 0.00 0.00 -0.00 0.00 0.00 43.42 44.01 1r6r n LEU 95 CO 0.48 0.70 -0.28 0.59 -0.00 0.00 0.00 177.39 178.88 1r6r n ASN 96 N 0.98 2.82 -0.23 1.45 3.02 0.11 -4.60 115.26 118.81 1r6r n ASN 96 Ca 0.20 -0.21 0.13 0.00 -0.03 0.00 0.00 54.58 54.67 1r6r n ASN 96 Cb 0.65 0.99 0.67 0.00 -0.61 0.00 0.00 39.78 41.47 1r6r n ASN 96 CO 0.00 0.00 0.00 -1.14 -2.62 0.00 0.00 177.26 173.50 1r6r n ARG 97 N -1.27 1.31 0.14 3.52 0.63 -1.23 -3.94 116.66 115.82 1r6r n ARG 97 Ca 0.00 -0.46 0.15 0.00 -0.92 0.00 0.00 57.85 56.62 1r6r n ARG 97 Cb 0.00 -1.44 0.70 0.00 0.45 0.00 0.00 32.46 32.17 1r6r n ARG 97 CO 0.00 0.00 0.00 0.07 -2.51 0.00 0.00 177.63 175.19 1r6r h ARG 98 N 1.06 0.00 -2.48 -0.14 0.11 -1.81 -3.45 114.38 107.66 1r6r h ARG 98 Ca 0.00 0.00 -0.33 0.00 0.10 0.00 0.00 59.98 59.75 1r6r h ARG 98 Cb 0.23 0.00 -0.07 0.00 1.11 0.00 0.00 29.97 31.24 1r6r h ARG 98 CO 0.00 0.00 -0.36 -2.13 0.10 0.00 0.00 179.97 177.58 1r6r n ARG 99 N -4.33 -1.71 0.00 0.08 0.63 -1.25 -5.23 116.66 104.85 1r6r n ARG 99 Ca 0.03 0.86 0.00 0.00 -0.92 0.00 0.00 57.85 57.82 1r6r n ARG 99 Cb 0.35 -5.34 0.00 0.00 0.45 0.00 0.00 32.46 27.92 1r6r n ARG 99 CO 0.00 0.00 0.00 2.89 -2.51 0.00 0.00 177.63 178.01