#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 -4.47 0.00 3.52 1.74 -1.26 -4.56 116.66 111.63 1r6r n ARG 22 Ca 0.00 0.65 0.00 0.00 -0.77 0.00 0.00 57.85 57.73 1r6r n ARG 22 Cb 0.00 -5.46 0.00 0.00 -1.02 0.00 0.00 32.46 25.98 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 -4.31 0.00 1.64 1.55 3.14 -1.26 -0.05 118.33 119.03 1r6r n VAL 23 Ca -0.03 0.00 0.01 0.00 -2.96 0.00 0.00 64.34 61.36 1r6r n VAL 23 Cb 0.56 0.00 0.04 0.00 -1.06 0.00 0.00 33.84 33.38 1r6r n VAL 23 CO 0.00 0.00 0.00 -1.20 -6.46 0.00 0.00 176.83 169.17 1r6r n SER 24 N -0.13 0.54 -0.09 6.55 7.64 -1.26 -3.67 113.62 123.20 1r6r n SER 24 Ca 0.00 -2.01 -0.17 0.00 1.01 0.00 0.00 58.87 57.70 1r6r n SER 24 Cb 0.00 -0.11 -0.13 0.00 -1.01 0.00 0.00 64.21 62.96 1r6r n SER 24 CO 0.00 0.00 0.00 0.41 -3.01 0.00 0.00 175.04 172.44 1r6r n THR 25 N -0.23 1.55 0.79 0.44 -1.04 -1.26 -4.19 114.28 110.34 1r6r n THR 25 Ca 0.03 -0.64 0.09 0.00 -2.04 0.00 0.00 64.05 61.49 1r6r n THR 25 Cb 0.10 -1.35 0.45 0.00 -1.82 0.00 0.00 70.33 67.71 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 -3.23 0.55 -0.23 12.58 3.14 -1.24 -3.29 118.33 126.61 1r6r n VAL 26 Ca -0.40 0.14 0.03 0.00 -2.96 0.00 0.00 64.34 61.15 1r6r n VAL 26 Cb 1.03 -0.81 0.27 0.00 -1.06 0.00 0.00 33.84 33.27 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 0.92 0.02 1.45 1.08 -1.73 -2.51 115.11 114.34 1r6r h GLN 27 Ca 0.00 -0.06 0.02 0.00 -1.45 0.00 0.00 58.65 57.17 1r6r h GLN 27 Cb 0.26 -0.21 -0.03 0.00 -0.05 0.00 0.00 27.48 27.45 1r6r h GLN 27 CO 0.00 0.61 -0.16 -0.56 -0.95 0.00 0.00 178.83 177.77 1r6r h GLN 28 N 0.95 -0.27 -0.11 1.46 -0.00 -1.83 -0.34 115.11 114.97 1r6r h GLN 28 Ca 0.31 0.02 -0.11 0.00 -0.00 0.00 0.00 58.65 58.87 1r6r h GLN 28 Cb 0.06 0.06 -0.01 0.00 -0.00 0.00 0.00 27.48 27.59 1r6r h GLN 28 CO -0.09 -0.18 -0.43 1.37 -0.00 0.00 0.00 178.83 179.50 1r6r h LEU 29 N -0.28 0.26 0.32 0.06 8.10 -1.78 -1.70 115.31 120.29 1r6r h LEU 29 Ca 0.05 -0.11 -0.02 0.00 0.11 0.00 0.00 57.88 57.91 1r6r h LEU 29 Cb 0.34 -0.07 0.00 0.00 -0.44 0.00 0.00 40.66 40.49 1r6r h LEU 29 CO -0.14 0.67 -0.15 0.74 -4.11 0.00 0.00 178.44 175.44 1r6r h THR 30 N 0.21 0.71 0.00 0.15 2.02 -1.00 -2.16 112.91 112.84 1r6r h THR 30 Ca 0.02 -0.26 -0.02 0.00 0.77 0.00 0.00 66.41 66.91 1r6r h THR 30 Cb 0.85 0.86 -0.00 0.00 -1.74 0.00 0.00 68.15 68.11 1r6r h THR 30 CO 0.07 0.05 -0.11 0.07 0.37 0.00 0.00 175.52 175.97 1r6r h LYS 31 N -0.56 0.00 0.71 6.66 2.10 -1.05 -1.98 116.57 122.44 1r6r h LYS 31 Ca -0.04 0.00 -0.03 0.00 -2.00 0.00 0.00 60.65 58.57 1r6r h LYS 31 Cb 0.41 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.75 1r6r h LYS 31 CO 0.07 0.11 -0.36 -0.09 -2.00 0.00 0.00 179.45 177.18 1r6r h ARG 32 N 0.00 -0.95 -0.69 0.07 2.43 -0.67 -2.76 114.38 111.81 1r6r h ARG 32 Ca -0.00 0.06 0.00 0.00 -0.81 0.00 0.00 59.98 59.23 1r6r h ARG 32 Cb 0.30 0.21 0.00 0.00 -0.42 0.00 0.00 29.97 30.06 1r6r h ARG 32 CO 0.01 -0.63 0.00 1.97 -1.51 0.00 0.00 179.97 179.81 1r6r n PHE 33 N -5.52 1.19 0.07 2.20 1.16 -1.01 -3.81 117.46 111.74 1r6r n PHE 33 Ca -0.14 -0.43 -0.22 0.00 -1.87 0.00 0.00 57.45 54.79 1r6r n PHE 33 Cb 0.40 -0.30 -0.15 0.00 -1.61 0.00 0.00 39.48 37.83 1r6r n PHE 33 CO 0.00 0.00 0.00 0.77 -1.87 0.00 0.00 176.76 175.66 1r6r h SER 34 N 2.53 0.59 0.00 5.98 0.02 -1.05 -3.25 113.55 118.37 1r6r h SER 34 Ca 0.00 -0.87 -0.00 0.00 -0.84 0.00 0.00 61.79 60.08 1r6r h SER 34 Cb 1.29 -0.19 -0.00 0.00 0.14 0.00 0.00 62.40 63.63 1r6r h SER 34 CO 0.26 1.74 -0.25 0.18 -1.14 0.00 0.00 176.83 177.61 1r6r n LEU 35 N -3.57 2.46 -0.97 5.07 4.32 -1.24 -4.66 117.00 118.41 1r6r n LEU 35 Ca -0.23 -3.42 -0.07 0.00 -0.02 0.00 0.00 56.01 52.27 1r6r n LEU 35 Cb 1.07 -0.46 -0.07 0.00 -1.62 0.00 0.00 43.42 42.34 1r6r n LEU 35 CO 0.51 1.02 0.34 0.61 -1.22 0.00 0.00 177.39 178.66 1r6r n GLY 36 N -1.25 0.51 0.48 -0.72 0.00 -1.25 -5.00 105.19 97.96 1r6r n GLY 36 Ca 0.17 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 46.01 1r6r n GLY 36 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 173.32 175.30 1r6r h MET 37 N 0.00 -1.10 -5.24 1.61 -1.53 -1.80 -3.33 114.93 103.54 1r6r h MET 37 Ca -0.54 0.08 -0.68 0.00 -3.44 0.00 0.00 59.70 55.12 1r6r h MET 37 Cb 1.38 0.25 -0.16 0.00 -0.55 0.00 0.00 31.60 32.52 1r6r h MET 37 CO -0.27 -0.74 1.09 -1.17 0.14 0.00 0.00 176.91 175.96 1r6r s LEU 38 N -9.41 4.70 -0.03 3.39 0.20 -1.26 -4.67 118.68 111.60 1r6r s LEU 38 Ca -0.17 -2.06 0.25 0.00 0.69 0.00 0.00 54.13 52.83 1r6r s LEU 38 Cb 0.02 -2.44 0.43 0.00 -0.43 0.00 0.00 46.19 43.78 1r6r s LEU 38 CO 0.54 -1.12 1.17 0.00 -0.29 0.00 0.00 176.35 176.65 1r6r n GLN 39 N 6.98 0.23 0.00 1.98 6.02 -1.25 -5.01 117.38 126.33 1r6r n GLN 39 Ca 0.28 -2.19 0.00 0.00 -0.01 0.00 0.00 57.00 55.08 1r6r n GLN 39 Cb 0.49 -0.22 0.00 0.00 1.02 0.00 0.00 30.24 31.52 1r6r n GLN 39 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1r6r n GLY 40 N 0.32 2.41 1.45 1.08 0.00 -1.26 -5.02 105.19 104.17 1r6r n GLY 40 Ca 0.07 -0.61 0.19 0.00 0.00 0.00 0.00 46.02 45.66 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 -3.14 0.06 1.61 3.00 -1.26 -5.04 116.66 111.89 1r6r n ARG 41 Ca 0.00 2.34 0.00 0.00 -0.00 0.00 0.00 57.85 60.19 1r6r n ARG 41 Cb 0.00 -3.75 0.00 0.00 0.00 0.00 0.00 32.46 28.71 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 -4.32 -1.86 0.10 5.14 0.00 -1.26 -5.00 105.19 97.99 1r6r n GLY 42 Ca -0.04 0.51 -0.21 0.00 0.00 0.00 0.00 46.02 46.28 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 -0.94 1.61 0.13 -2.02 -3.48 132.00 127.30 1r6r h PRO 43 Ca 0.00 0.00 -0.35 0.00 -0.87 0.00 0.00 66.00 64.78 1r6r h PRO 43 Cb 0.00 0.00 -0.14 0.00 0.13 0.00 0.00 31.00 30.99 1r6r h PRO 43 CO 0.00 0.96 -0.32 -0.11 -0.23 0.00 0.00 178.00 178.30 1r6r n LEU 44 N -4.44 -1.15 0.07 1.56 0.00 -1.26 -4.79 117.00 106.98 1r6r n LEU 44 Ca -0.31 0.43 0.05 0.00 0.00 0.00 0.00 56.01 56.18 1r6r n LEU 44 Cb 0.66 -2.67 -0.04 0.00 0.00 0.00 0.00 43.42 41.36 1r6r n LEU 44 CO 0.18 -1.01 -0.15 2.29 0.00 0.00 0.00 177.39 178.70 1r6r n LYS 45 N -1.92 0.61 -0.25 1.96 2.85 -1.26 -4.31 118.16 115.84 1r6r n LYS 45 Ca -0.17 0.17 0.15 0.00 -1.05 0.00 0.00 58.31 57.41 1r6r n LYS 45 Cb 0.62 -1.82 0.28 0.00 -0.65 0.00 0.00 35.03 33.47 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 -2.78 0.02 -0.03 -5.58 -0.00 -1.26 0.91 117.00 108.27 1r6r n LEU 46 Ca -0.05 1.25 -0.14 0.00 -0.00 0.00 0.00 56.01 57.07 1r6r n LEU 46 Cb 0.70 -0.50 -0.10 0.00 -0.00 0.00 0.00 43.42 43.52 1r6r n LEU 46 CO 0.42 -1.31 0.48 0.15 -0.00 0.00 0.00 177.39 177.12 1r6r h PHE 47 N 0.00 0.31 0.73 1.96 3.57 -1.99 -2.62 116.94 118.89 1r6r h PHE 47 Ca 0.50 -0.13 -0.03 0.00 3.53 0.00 0.00 57.97 61.84 1r6r h PHE 47 Cb 1.15 -0.05 -0.00 0.00 2.79 0.00 0.00 35.95 39.84 1r6r h PHE 47 CO -0.27 0.84 -0.41 1.98 -2.23 0.00 0.00 178.31 178.22 1r6r h MET 48 N -0.32 -1.02 -0.71 1.11 4.05 0.30 -2.38 114.93 115.95 1r6r h MET 48 Ca -0.01 0.07 0.15 0.00 -0.28 0.00 0.00 59.70 59.63 1r6r h MET 48 Cb 0.87 0.23 -0.11 0.00 -0.80 0.00 0.00 31.60 31.79 1r6r h MET 48 CO 0.04 -0.68 0.16 0.00 0.23 0.00 0.00 176.91 176.66 1r6r h ALA 49 N -0.85 0.90 0.81 0.39 0.00 -0.03 0.56 119.26 121.03 1r6r h ALA 49 Ca -0.10 0.17 -0.04 0.00 0.00 0.00 0.00 54.91 54.94 1r6r h ALA 49 Cb 0.84 0.23 -0.00 0.00 0.00 0.00 0.00 17.79 18.86 1r6r h ALA 49 CO 0.12 -0.33 -0.49 1.25 0.00 0.00 0.00 179.25 179.79 1r6r h LEU 50 N 0.26 -1.25 -0.97 0.00 5.85 -1.27 0.39 115.31 118.33 1r6r h LEU 50 Ca 0.40 0.07 -0.01 0.00 0.84 0.00 0.00 57.88 59.18 1r6r h LEU 50 Cb 0.67 0.36 -0.05 0.00 0.37 0.00 0.00 40.66 42.01 1r6r h LEU 50 CO -0.50 -0.76 0.56 0.58 -0.34 0.00 0.00 178.44 177.98 1r6r h VAL 51 N -1.22 1.26 -0.05 1.05 2.07 -1.00 -2.51 116.25 115.85 1r6r h VAL 51 Ca -0.11 -0.56 0.01 0.00 0.82 0.00 0.00 66.70 66.86 1r6r h VAL 51 Cb 0.98 -0.06 -0.01 0.00 -1.52 0.00 0.00 31.29 30.67 1r6r h VAL 51 CO 0.11 0.27 -0.01 0.00 0.02 0.00 0.00 177.57 177.96 1r6r h ALA 52 N 1.33 0.03 -0.09 1.67 0.00 0.38 0.42 119.26 123.00 1r6r h ALA 52 Ca 0.34 0.02 0.03 0.00 0.00 0.00 0.00 54.91 55.30 1r6r h ALA 52 Cb -0.05 0.03 -0.06 0.00 0.00 0.00 0.00 17.79 17.71 1r6r h ALA 52 CO -0.06 -0.49 -0.47 0.35 0.00 0.00 0.00 179.25 178.58 1r6r h PHE 53 N 0.00 -1.35 -0.60 0.00 3.57 0.16 0.35 116.94 119.07 1r6r h PHE 53 Ca 0.02 0.05 0.05 0.00 3.53 0.00 0.00 57.97 61.62 1r6r h PHE 53 Cb 0.03 0.60 -0.04 0.00 2.79 0.00 0.00 35.95 39.34 1r6r h PHE 53 CO -0.11 -0.51 0.40 -0.07 -2.23 0.00 0.00 178.31 175.78 1r6r h LEU 54 N -0.56 0.54 -0.50 0.59 -0.00 -1.25 0.33 115.31 114.47 1r6r h LEU 54 Ca 0.05 -0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.93 1r6r h LEU 54 Cb 0.66 -0.12 0.00 0.00 -0.00 0.00 0.00 40.66 41.20 1r6r h LEU 54 CO -0.39 0.36 0.00 -1.14 -0.00 0.00 0.00 178.44 177.28 1r6r n ARG 55 N -4.47 0.13 0.03 1.13 0.00 0.15 0.83 116.66 114.44 1r6r n ARG 55 Ca 0.08 0.38 0.07 0.00 -0.00 0.00 0.00 57.85 58.39 1r6r n ARG 55 Cb 0.20 -1.75 -0.10 0.00 0.00 0.00 0.00 32.46 30.81 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 -1.99 0.47 -0.10 -0.14 3.72 0.11 -4.10 117.46 115.43 1r6r n PHE 56 Ca 0.02 0.14 -0.14 0.00 -0.05 0.00 0.00 57.45 57.42 1r6r n PHE 56 Cb 0.20 -0.79 -0.10 0.00 -0.94 0.00 0.00 39.48 37.84 1r6r n PHE 56 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 176.76 177.99 1r6r n LEU 57 N -2.54 2.87 0.00 4.37 4.77 -0.92 -4.89 117.00 120.65 1r6r n LEU 57 Ca -0.06 -0.11 0.00 0.00 -0.03 0.00 0.00 56.01 55.81 1r6r n LEU 57 Cb 0.66 -0.69 0.00 0.00 -2.33 0.00 0.00 43.42 41.06 1r6r n LEU 57 CO 0.43 0.84 0.00 0.41 -1.33 0.00 0.00 177.39 177.74 1r6r n THR 58 N -3.10 0.00 -3.54 -5.08 -1.04 0.10 -5.06 114.28 96.56 1r6r n THR 58 Ca -0.37 0.00 -0.26 0.00 -2.04 0.00 0.00 64.05 61.39 1r6r n THR 58 Cb 0.90 0.68 0.05 0.00 -1.82 0.00 0.00 70.33 70.14 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 -6.91 -2.85 12.58 -0.00 0.24 -4.92 119.36 117.51 1r6r n ILE 59 Ca 0.00 -1.01 -0.38 0.00 -0.00 0.00 0.00 62.75 61.36 1r6r n ILE 59 Cb 0.03 -5.02 -0.00 0.00 -0.00 0.00 0.00 39.64 34.64 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 -3.77 4.59 -2.13 0.38 -0.04 -1.26 -4.95 135.00 127.82 1r6r n PRO 60 Ca -0.09 -4.68 -0.43 0.00 -0.04 0.00 0.00 63.50 58.27 1r6r n PRO 60 Cb 0.60 -2.42 -0.02 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 -3.65 3.61 1.09 0.54 0.04 -1.26 -4.98 135.00 130.40 1r6r s PRO 61 Ca 0.39 1.45 -0.13 0.00 0.04 0.00 0.00 61.00 62.75 1r6r s PRO 61 Cb 0.17 -4.08 0.20 0.00 0.04 0.00 0.00 34.50 30.83 1r6r s PRO 61 CO -0.06 -1.52 0.79 -2.37 0.04 0.00 0.00 177.00 173.88 1r6r n THR 62 N 6.85 0.00 -0.21 1.26 5.66 -1.26 -4.78 114.28 121.80 1r6r n THR 62 Ca 0.20 -0.30 0.02 0.00 -3.05 0.00 0.00 64.05 60.91 1r6r n THR 62 Cb 0.46 -0.88 0.12 0.00 -1.55 0.00 0.00 70.33 68.48 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 -2.30 0.71 -0.51 1.79 0.00 -0.79 -1.80 119.26 116.36 1r6r h ALA 63 Ca -0.54 0.16 0.08 0.00 0.00 0.00 0.00 54.91 54.61 1r6r h ALA 63 Cb 1.32 0.25 -0.06 0.00 0.00 0.00 0.00 17.79 19.30 1r6r h ALA 63 CO 0.44 -0.35 0.16 0.78 0.00 0.00 0.00 179.25 180.28 1r6r h GLY 64 N 0.20 0.68 -0.11 0.00 0.00 -1.83 -1.12 103.07 100.87 1r6r h GLY 64 Ca 0.34 -0.08 0.26 0.00 0.00 0.00 0.00 47.33 47.85 1r6r h GLY 64 CO -0.48 -0.02 0.66 -2.22 0.00 0.00 0.00 176.54 174.48 1r6r h ILE 65 N 0.33 0.54 0.06 2.60 1.08 -1.63 0.56 117.51 121.04 1r6r h ILE 65 Ca 0.25 -0.14 -0.00 0.00 -0.39 0.00 0.00 64.86 64.58 1r6r h ILE 65 Cb 0.30 0.08 0.00 0.00 -3.07 0.00 0.00 36.82 34.12 1r6r h ILE 65 CO -0.28 0.08 -0.03 -0.07 -0.69 0.00 0.00 178.15 177.16 1r6r h LEU 66 N 0.42 -0.07 -1.03 1.44 -0.00 -1.23 -1.08 115.31 113.76 1r6r h LEU 66 Ca 0.59 -0.43 0.07 0.00 -0.00 0.00 0.00 57.88 58.12 1r6r h LEU 66 Cb 1.45 0.02 -0.07 0.00 -0.00 0.00 0.00 40.66 42.06 1r6r h LEU 66 CO -0.31 0.61 0.64 0.11 -0.00 0.00 0.00 178.44 179.50 1r6r h LYS 67 N -0.97 1.10 0.00 1.13 1.79 -0.73 -0.50 116.57 118.40 1r6r h LYS 67 Ca -0.01 -0.07 -0.11 0.00 -2.18 0.00 0.00 60.65 58.28 1r6r h LYS 67 Cb 0.49 -0.25 -0.02 0.00 -1.58 0.00 0.00 32.23 30.88 1r6r h LYS 67 CO 0.01 0.73 -0.53 0.07 -1.08 0.00 0.00 179.45 178.66 1r6r h ARG 68 N 1.14 0.00 -0.99 3.15 0.11 -0.01 -3.24 114.38 114.54 1r6r h ARG 68 Ca 0.44 0.00 0.22 0.00 0.10 0.00 0.00 59.98 60.73 1r6r h ARG 68 Cb 0.21 0.00 -0.10 0.00 1.11 0.00 0.00 29.97 31.20 1r6r h ARG 68 CO -0.18 0.53 0.62 2.35 0.10 0.00 0.00 179.97 183.39 1r6r h TRP 69 N 0.00 0.85 -0.86 4.08 -0.00 0.29 -1.39 115.95 118.92 1r6r h TRP 69 Ca -0.01 0.03 -0.60 0.00 -0.00 0.00 0.00 58.89 58.32 1r6r h TRP 69 Cb 1.19 -0.25 -0.34 0.00 -0.00 0.00 0.00 29.16 29.76 1r6r h TRP 69 CO 0.00 0.16 0.10 0.41 -0.00 0.00 0.00 178.44 179.11 1r6r n GLY 70 N -1.40 6.03 0.61 2.65 0.00 -1.22 -4.47 105.19 107.38 1r6r n GLY 70 Ca 0.23 -2.39 -0.01 0.00 0.00 0.00 0.00 46.02 43.86 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 -0.85 0.00 0.00 2.61 5.66 -0.53 -5.10 114.28 116.07 1r6r n THR 71 Ca 0.53 -0.04 0.00 0.00 -3.05 0.00 0.00 64.05 61.50 1r6r n THR 71 Cb 0.83 0.19 0.00 0.00 -1.55 0.00 0.00 70.33 69.80 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 0.02 0.00 -0.01 1.09 -5.35 -1.18 -5.02 119.36 108.90 1r6r n ILE 72 Ca -0.04 0.00 -0.01 0.00 -0.27 0.00 0.00 62.75 62.43 1r6r n ILE 72 Cb 0.59 0.00 -0.02 0.00 -1.74 0.00 0.00 39.64 38.46 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 3.15 0.00 6.28 3.00 -1.26 -5.00 118.16 124.33 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 -1.07 0.00 0.00 0.00 0.00 0.00 35.03 33.96 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 -2.16 0.00 -0.32 1.64 4.76 -1.26 -4.45 118.16 116.37 1r6r n LYS 74 Ca -0.05 0.00 -0.04 0.00 -2.87 0.00 0.00 58.31 55.36 1r6r n LYS 74 Cb 0.59 -0.03 0.08 0.00 -1.84 0.00 0.00 35.03 33.84 1r6r n LYS 74 CO 0.00 0.00 0.00 0.77 -1.37 0.00 0.00 177.40 176.80 1r6r h SER 75 N 0.00 1.02 0.01 4.39 0.02 -1.98 0.56 113.55 117.58 1r6r h SER 75 Ca 0.00 -0.04 -0.19 0.00 -0.84 0.00 0.00 61.79 60.72 1r6r h SER 75 Cb 0.00 -0.26 0.02 0.00 0.14 0.00 0.00 62.40 62.30 1r6r h SER 75 CO 0.00 0.76 -0.75 0.50 -1.14 0.00 0.00 176.83 176.20 1r6r h LYS 76 N 1.19 0.48 0.41 3.45 1.63 -1.99 -2.07 116.57 119.68 1r6r h LYS 76 Ca 0.32 -0.54 -0.02 0.00 -0.85 0.00 0.00 60.65 59.56 1r6r h LYS 76 Cb -0.10 0.16 0.00 0.00 -0.60 0.00 0.00 32.23 31.69 1r6r h LYS 76 CO -0.06 1.18 -0.20 0.00 -3.45 0.00 0.00 179.45 176.92 1r6r h ALA 77 N 0.32 -0.55 -0.83 5.00 0.00 -1.82 0.17 119.26 121.54 1r6r h ALA 77 Ca -0.10 -0.17 0.05 0.00 0.00 0.00 0.00 54.91 54.70 1r6r h ALA 77 Cb 1.46 0.21 -0.06 0.00 0.00 0.00 0.00 17.79 19.40 1r6r h ALA 77 CO 0.15 -0.72 0.52 0.82 0.00 0.00 0.00 179.25 180.02 1r6r h ILE 78 N -0.73 1.06 -0.81 0.00 2.04 -0.01 0.41 117.51 119.48 1r6r h ILE 78 Ca -0.06 -0.33 -0.04 0.00 1.00 0.00 0.00 64.86 65.43 1r6r h ILE 78 Cb 0.51 0.01 -0.04 0.00 -0.74 0.00 0.00 36.82 36.57 1r6r h ILE 78 CO 0.09 0.18 0.33 0.78 0.00 0.00 0.00 178.15 179.53 1r6r h ASN 79 N 0.97 1.10 0.00 1.72 -0.26 -1.23 -0.38 115.58 117.50 1r6r h ASN 79 Ca 0.36 -0.16 -0.00 0.00 -0.56 0.00 0.00 56.30 55.93 1r6r h ASN 79 Cb 0.12 -0.28 0.00 0.00 -1.06 0.00 0.00 38.32 37.10 1r6r h ASN 79 CO -0.16 0.96 -0.00 0.58 -1.06 0.00 0.00 177.43 177.76 1r6r h VAL 80 N 1.17 1.17 -0.68 2.81 2.07 0.94 -1.76 116.25 121.96 1r6r h VAL 80 Ca 0.27 -0.52 0.09 0.00 0.82 0.00 0.00 66.70 67.36 1r6r h VAL 80 Cb 0.20 1.53 -0.04 0.00 -1.52 0.00 0.00 31.29 31.45 1r6r h VAL 80 CO -0.02 0.14 0.45 -0.07 0.02 0.00 0.00 177.57 178.08 1r6r h LEU 81 N -0.23 0.51 -0.84 2.57 4.07 0.06 0.19 115.31 121.64 1r6r h LEU 81 Ca -0.00 0.01 -0.10 0.00 0.08 0.00 0.00 57.88 57.87 1r6r h LEU 81 Cb 0.23 -0.10 -0.02 0.00 1.08 0.00 0.00 40.66 41.85 1r6r h LEU 81 CO 0.00 0.31 -0.16 -0.09 -1.08 0.00 0.00 178.44 177.42 1r6r h ARG 82 N 0.56 0.70 -0.24 1.13 9.65 -0.68 -2.03 114.38 123.47 1r6r h ARG 82 Ca 0.31 -0.24 -0.11 0.00 -1.10 0.00 0.00 59.98 58.84 1r6r h ARG 82 Cb 0.47 -0.05 -0.01 0.00 -1.39 0.00 0.00 29.97 28.98 1r6r h ARG 82 CO -0.10 0.82 -0.31 0.78 2.80 0.00 0.00 179.97 183.96 1r6r h GLY 83 N 0.98 0.54 1.16 2.80 0.00 0.18 -1.97 103.07 106.75 1r6r h GLY 83 Ca 0.10 -0.47 -0.06 0.00 0.00 0.00 0.00 47.33 46.90 1r6r h GLY 83 CO 0.04 0.43 0.19 0.74 0.00 0.00 0.00 176.54 177.94 1r6r h PHE 84 N 0.43 1.09 -0.31 5.60 0.04 -0.52 0.43 116.94 123.70 1r6r h PHE 84 Ca 0.05 -0.11 -0.09 0.00 2.80 0.00 0.00 57.97 60.62 1r6r h PHE 84 Cb 0.75 -0.32 -0.02 0.00 2.20 0.00 0.00 35.95 38.57 1r6r h PHE 84 CO 0.03 0.88 -0.18 -0.09 -0.60 0.00 0.00 178.31 178.35 1r6r h ARG 85 N 1.01 0.57 0.01 1.51 2.43 -0.99 0.01 114.38 118.92 1r6r h ARG 85 Ca 0.22 -0.19 -0.19 0.00 -0.81 0.00 0.00 59.98 59.00 1r6r h ARG 85 Cb 0.32 -0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 29.81 1r6r h ARG 85 CO -0.00 0.72 -0.90 -0.22 -1.51 0.00 0.00 179.97 178.06 1r6r h LYS 86 N 0.51 0.08 -0.26 0.20 1.63 -0.66 -2.35 116.57 115.72 1r6r h LYS 86 Ca 0.08 -0.10 -0.16 0.00 -0.85 0.00 0.00 60.65 59.62 1r6r h LYS 86 Cb 0.60 0.03 -0.00 0.00 -0.60 0.00 0.00 32.23 32.26 1r6r h LYS 86 CO 0.04 0.92 -0.50 0.93 -3.45 0.00 0.00 179.45 177.39 1r6r h GLU 87 N 0.04 0.72 -0.40 1.90 5.08 0.25 -0.97 114.58 121.21 1r6r h GLU 87 Ca -0.03 -0.43 -0.14 0.00 -1.00 0.00 0.00 59.36 57.76 1r6r h GLU 87 Cb 1.56 0.04 -0.01 0.00 0.50 0.00 0.00 28.75 30.84 1r6r h GLU 87 CO 0.13 1.05 -0.30 0.97 -1.00 0.00 0.00 179.01 179.85 1r6r h ILE 88 N 0.57 1.28 -0.45 3.13 6.09 -0.99 0.10 117.51 127.23 1r6r h ILE 88 Ca 0.02 -1.47 -0.06 0.00 -1.37 0.00 0.00 64.86 61.99 1r6r h ILE 88 Cb 1.07 1.34 -0.02 0.00 0.47 0.00 0.00 36.82 39.67 1r6r h ILE 88 CO 0.10 0.49 0.04 1.23 -3.07 0.00 0.00 178.15 176.95 1r6r h GLY 89 N 0.72 0.75 1.46 8.18 0.00 -1.33 -1.59 103.07 111.27 1r6r h GLY 89 Ca 0.07 -0.46 -0.12 0.00 0.00 0.00 0.00 47.33 46.83 1r6r h GLY 89 CO 0.08 0.43 -0.31 3.21 0.00 0.00 0.00 176.54 179.94 1r6r h ARG 90 N 0.67 0.61 -0.94 4.80 3.08 -0.83 -2.38 114.38 119.39 1r6r h ARG 90 Ca 0.14 -0.27 0.03 0.00 0.07 0.00 0.00 59.98 59.96 1r6r h ARG 90 Cb 0.35 -0.02 -0.05 0.00 0.08 0.00 0.00 29.97 30.34 1r6r h ARG 90 CO 0.01 0.85 0.62 1.98 -1.07 0.00 0.00 179.97 182.35 1r6r h MET 91 N 0.52 1.16 -0.59 0.04 4.05 -0.02 0.01 114.93 120.09 1r6r h MET 91 Ca 0.06 -0.07 -0.04 0.00 -0.28 0.00 0.00 59.70 59.37 1r6r h MET 91 Cb 0.80 -0.26 -0.03 0.00 -0.80 0.00 0.00 31.60 31.31 1r6r h MET 91 CO 0.07 0.76 0.21 -0.07 0.23 0.00 0.00 176.91 178.11 1r6r h LEU 92 N 1.19 0.84 -2.07 3.39 3.38 -1.01 0.20 115.31 121.23 1r6r h LEU 92 Ca 0.37 -0.19 0.09 0.00 0.09 0.00 0.00 57.88 58.24 1r6r h LEU 92 Cb -0.01 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.51 1r6r h LEU 92 CO -0.11 0.80 0.35 0.78 0.09 0.00 0.00 178.44 180.35 1r6r h ASN 93 N 0.83 0.00 0.18 -0.43 2.35 -0.53 0.50 115.58 118.48 1r6r h ASN 93 Ca 0.19 0.00 -0.32 0.00 -0.55 0.00 0.00 56.30 55.62 1r6r h ASN 93 Cb 0.24 0.00 0.01 0.00 0.05 0.00 0.00 38.32 38.63 1r6r h ASN 93 CO -0.01 0.00 -1.56 0.40 -1.65 0.00 0.00 177.43 174.61 1r6r h ILE 94 N 0.00 1.07 -0.42 2.81 2.04 0.15 -3.29 117.51 119.87 1r6r h ILE 94 Ca 0.15 -2.53 0.00 0.00 1.00 0.00 0.00 64.86 63.49 1r6r h ILE 94 Cb 0.85 2.85 0.00 0.00 -0.74 0.00 0.00 36.82 39.77 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 -3.73 3.05 -0.00 1.44 -0.00 0.14 -3.78 117.00 114.12 1r6r n LEU 95 Ca -0.22 -1.54 0.05 0.00 -0.00 0.00 0.00 56.01 54.30 1r6r n LEU 95 Cb 1.03 -0.43 -0.07 0.00 -0.00 0.00 0.00 43.42 43.94 1r6r n LEU 95 CO 0.51 0.56 -0.45 0.59 -0.00 0.00 0.00 177.39 178.60 1r6r n ASN 96 N 0.66 2.11 0.00 1.45 5.03 0.15 -4.45 115.26 120.21 1r6r n ASN 96 Ca 0.16 -0.20 0.13 0.00 0.87 0.00 0.00 54.58 55.54 1r6r n ASN 96 Cb 0.57 1.33 0.63 0.00 -1.02 0.00 0.00 39.78 41.29 1r6r n ASN 96 CO 0.00 0.00 0.00 -1.14 -1.83 0.00 0.00 177.26 174.29 1r6r n ARG 97 N -1.67 0.31 0.29 3.52 0.63 -1.24 -3.48 116.66 115.01 1r6r n ARG 97 Ca -0.01 0.05 0.18 0.00 -0.92 0.00 0.00 57.85 57.15 1r6r n ARG 97 Cb 0.23 -1.50 0.98 0.00 0.45 0.00 0.00 32.46 32.61 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 0.00 0.00 0.00 -0.14 0.11 -1.79 -3.45 114.38 109.11 1r6r h ARG 98 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 1r6r h ARG 98 Cb 0.27 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.35 1r6r h ARG 98 CO 0.00 0.00 0.00 -2.13 0.10 0.00 0.00 179.97 177.94 1r6r n ARG 99 N -3.51 0.00 0.00 0.08 0.63 -1.23 -5.23 116.66 107.40 1r6r n ARG 99 Ca -0.02 0.00 0.06 0.00 -0.92 0.00 0.00 57.85 56.97 1r6r n ARG 99 Cb 0.18 0.00 0.05 0.00 0.45 0.00 0.00 32.46 33.13 1r6r n ARG 99 CO 0.00 0.00 0.00 2.89 -2.51 0.00 0.00 177.63 178.01