#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 -6.43 0.00 3.52 1.74 -1.26 -4.64 116.66 109.59 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 -5.62 0.00 0.00 -1.02 0.00 0.00 32.46 25.82 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 -4.69 0.00 1.66 1.55 3.14 -1.26 0.39 118.33 119.12 1r6r n VAL 23 Ca -0.05 0.00 0.13 0.00 -2.96 0.00 0.00 64.34 61.46 1r6r n VAL 23 Cb 0.57 0.00 0.79 0.00 -1.06 0.00 0.00 33.84 34.15 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 -0.09 0.00 -0.04 6.55 7.64 -1.26 -3.32 113.62 123.09 1r6r n SER 24 Ca 0.00 -0.80 -0.11 0.00 1.01 0.00 0.00 58.87 58.97 1r6r n SER 24 Cb 0.00 -0.02 -0.14 0.00 -1.01 0.00 0.00 64.21 63.04 1r6r n SER 24 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 1r6r n THR 25 N -1.02 1.56 1.08 0.44 -2.24 -1.26 -3.90 114.28 108.94 1r6r n THR 25 Ca 0.20 -0.79 0.10 0.00 -2.27 0.00 0.00 64.05 61.29 1r6r n THR 25 Cb 0.10 -0.97 0.55 0.00 -2.10 0.00 0.00 70.33 67.91 1r6r n THR 25 CO 0.00 0.00 0.00 0.55 -0.57 0.00 0.00 175.07 175.05 1r6r n VAL 26 N -3.02 0.26 0.05 2.28 3.14 -1.21 -2.95 118.33 116.89 1r6r n VAL 26 Ca -0.24 0.07 -0.05 0.00 -2.96 0.00 0.00 64.34 61.15 1r6r n VAL 26 Cb 1.08 -0.73 0.13 0.00 -1.06 0.00 0.00 33.84 33.26 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 0.37 -0.94 1.45 1.08 -1.71 -2.39 115.11 112.96 1r6r h GLN 27 Ca 0.00 -0.21 0.03 0.00 -1.45 0.00 0.00 58.65 57.02 1r6r h GLN 27 Cb 0.14 0.02 -0.05 0.00 -0.05 0.00 0.00 27.48 27.53 1r6r h GLN 27 CO 0.00 0.78 0.62 -0.56 -0.95 0.00 0.00 178.83 178.72 1r6r h GLN 28 N 0.29 1.15 0.10 1.46 -0.00 -1.78 -1.53 115.11 114.81 1r6r h GLN 28 Ca 0.01 -0.07 -0.30 0.00 -0.00 0.00 0.00 58.65 58.29 1r6r h GLN 28 Cb 0.98 -0.26 -0.01 0.00 -0.00 0.00 0.00 27.48 28.19 1r6r h GLN 28 CO 0.08 0.76 -1.52 1.37 -0.00 0.00 0.00 178.83 179.53 1r6r h LEU 29 N 1.19 0.34 -2.27 0.06 8.10 -1.77 -1.71 115.31 119.26 1r6r h LEU 29 Ca 0.37 -0.48 -0.01 0.00 0.11 0.00 0.00 57.88 57.87 1r6r h LEU 29 Cb 0.00 -0.11 -0.00 0.00 -0.44 0.00 0.00 40.66 40.11 1r6r h LEU 29 CO -0.11 1.40 -0.04 0.74 -4.11 0.00 0.00 178.44 176.32 1r6r h THR 30 N 0.06 0.56 0.00 0.15 2.02 -1.14 0.12 112.91 114.69 1r6r h THR 30 Ca -0.24 -0.19 -0.26 0.00 0.77 0.00 0.00 66.41 66.49 1r6r h THR 30 Cb 2.00 1.12 -0.05 0.00 -1.74 0.00 0.00 68.15 69.48 1r6r h THR 30 CO 0.15 0.04 -2.20 2.29 0.37 0.00 0.00 175.52 176.18 1r6r n LYS 31 N -3.80 0.86 0.14 6.66 2.85 -0.60 -4.26 118.16 120.00 1r6r n LYS 31 Ca -0.03 -0.05 0.12 0.00 -1.05 0.00 0.00 58.31 57.30 1r6r n LYS 31 Cb 0.14 -1.48 0.16 0.00 -0.65 0.00 0.00 35.03 33.20 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 -0.67 -1.58 2.43 -0.95 -3.28 114.38 110.33 1r6r h ARG 32 Ca -0.39 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.78 1r6r h ARG 32 Cb 1.87 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 31.42 1r6r h ARG 32 CO 0.02 0.00 0.00 1.97 -1.51 0.00 0.00 179.97 180.45 1r6r n PHE 33 N -2.65 1.37 -0.95 2.20 -1.74 0.40 -4.27 117.46 111.82 1r6r n PHE 33 Ca 0.03 -0.58 0.05 0.00 -0.56 0.00 0.00 57.45 56.38 1r6r n PHE 33 Cb 0.50 -0.18 0.38 0.00 1.52 0.00 0.00 39.48 41.69 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 1.26 5.43 -2.82 5.98 7.64 -1.24 -4.18 113.62 125.70 1r6r n SER 34 Ca 0.26 -3.01 -0.37 0.00 1.01 0.00 0.00 58.87 56.75 1r6r n SER 34 Cb 0.83 -0.69 0.03 0.00 -1.01 0.00 0.00 64.21 63.37 1r6r n SER 34 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 1r6r n LEU 35 N 0.37 7.03 0.00 -3.43 4.77 -1.26 -4.57 117.00 119.91 1r6r n LEU 35 Ca 0.30 -4.89 0.00 0.00 -0.03 0.00 0.00 56.01 51.39 1r6r n LEU 35 Cb 1.22 -0.96 0.00 0.00 -2.33 0.00 0.00 43.42 41.35 1r6r n LEU 35 CO 0.34 1.84 0.00 0.61 -1.33 0.00 0.00 177.39 178.85 1r6r n GLY 36 N -0.54 1.28 0.33 -0.72 0.00 -1.26 -4.91 105.19 99.37 1r6r n GLY 36 Ca 0.52 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.63 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 0.35 -0.14 1.61 4.05 -1.81 -0.91 114.93 118.09 1r6r h MET 37 Ca 0.00 -0.02 0.04 0.00 -0.28 0.00 0.00 59.70 59.44 1r6r h MET 37 Cb 0.00 -0.08 -0.01 0.00 -0.80 0.00 0.00 31.60 30.72 1r6r h MET 37 CO 0.00 0.23 0.20 1.37 0.23 0.00 0.00 176.91 178.94 1r6r h LEU 38 N 0.36 0.00 -3.23 3.39 -0.00 -1.95 -0.46 115.31 113.41 1r6r h LEU 38 Ca 0.19 0.00 -0.09 0.00 -0.00 0.00 0.00 57.88 57.98 1r6r h LEU 38 Cb 0.31 0.00 -0.06 0.00 -0.00 0.00 0.00 40.66 40.91 1r6r h LEU 38 CO -0.05 0.00 -0.13 1.67 -0.00 0.00 0.00 178.44 179.94 1r6r n GLN 39 N -3.55 1.93 -1.57 0.17 7.27 -0.61 -4.92 117.38 116.11 1r6r n GLN 39 Ca 0.01 -3.07 -0.20 0.00 0.07 0.00 0.00 57.00 53.81 1r6r n GLN 39 Cb 0.31 -1.75 -0.08 0.00 2.41 0.00 0.00 30.24 31.12 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 -1.05 1.89 7.00 1.69 0.00 -0.18 -4.59 105.19 109.94 1r6r n GLY 40 Ca 0.26 -0.04 0.00 0.00 0.00 0.00 0.00 46.02 46.24 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 -2.34 0.00 0.00 1.61 3.00 -0.45 -4.45 116.66 114.03 1r6r n ARG 41 Ca -0.20 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.65 1r6r n ARG 41 Cb 0.66 0.00 0.00 0.00 0.00 0.00 0.00 32.46 33.12 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 -1.42 0.10 5.14 0.00 -1.26 -5.00 105.19 102.75 1r6r n GLY 42 Ca 0.00 0.35 -0.19 0.00 0.00 0.00 0.00 46.02 46.18 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 -1.84 1.61 0.13 -1.99 -3.48 132.00 126.44 1r6r h PRO 43 Ca 0.00 0.00 -0.34 0.00 -0.87 0.00 0.00 66.00 64.79 1r6r h PRO 43 Cb 0.00 0.00 -0.10 0.00 0.13 0.00 0.00 31.00 31.03 1r6r h PRO 43 CO 0.00 0.86 -0.34 -0.11 -0.23 0.00 0.00 178.00 178.17 1r6r n LEU 44 N -4.47 -1.30 -0.09 1.56 0.00 -1.26 -4.78 117.00 106.66 1r6r n LEU 44 Ca -0.28 0.32 -0.11 0.00 0.00 0.00 0.00 56.01 55.94 1r6r n LEU 44 Cb 0.61 -2.42 -0.15 0.00 0.00 0.00 0.00 43.42 41.46 1r6r n LEU 44 CO 0.18 -0.67 -1.06 2.29 0.00 0.00 0.00 177.39 178.12 1r6r n LYS 45 N -2.33 0.68 -0.54 1.96 2.85 -1.26 -4.34 118.16 115.18 1r6r n LYS 45 Ca -0.17 0.07 0.44 0.00 -1.05 0.00 0.00 58.31 57.59 1r6r n LYS 45 Cb 0.57 -1.57 0.74 0.00 -0.65 0.00 0.00 35.03 34.12 1r6r n LYS 45 CO 0.00 0.00 0.00 -0.07 -0.05 0.00 0.00 177.40 177.28 1r6r h LEU 46 N 0.00 0.11 0.08 -5.58 4.07 -1.98 0.70 115.31 112.70 1r6r h LEU 46 Ca -0.51 0.06 -0.13 0.00 0.08 0.00 0.00 57.88 57.39 1r6r h LEU 46 Cb 2.16 0.05 0.01 0.00 1.08 0.00 0.00 40.66 43.97 1r6r h LEU 46 CO 0.03 -0.08 -0.55 0.15 -1.08 0.00 0.00 178.44 176.91 1r6r h PHE 47 N 0.04 0.39 -0.26 1.13 3.57 -1.98 -2.58 116.94 117.25 1r6r h PHE 47 Ca 0.84 -0.27 -0.02 0.00 3.53 0.00 0.00 57.97 62.04 1r6r h PHE 47 Cb 3.05 -0.02 -0.01 0.00 2.79 0.00 0.00 35.95 41.75 1r6r h PHE 47 CO -0.00 1.19 0.07 1.98 -2.23 0.00 0.00 178.31 179.31 1r6r h MET 48 N -0.51 0.42 0.09 1.11 4.05 -0.30 -2.10 114.93 117.69 1r6r h MET 48 Ca -0.09 -0.10 0.01 0.00 -0.28 0.00 0.00 59.70 59.24 1r6r h MET 48 Cb 1.40 -0.06 -0.01 0.00 -0.80 0.00 0.00 31.60 32.13 1r6r h MET 48 CO 0.10 0.51 -0.10 0.00 0.23 0.00 0.00 176.91 177.65 1r6r h ALA 49 N 0.89 -0.19 0.79 0.39 0.00 0.00 0.47 119.26 121.61 1r6r h ALA 49 Ca 0.08 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.94 1r6r h ALA 49 Cb 0.27 0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.21 1r6r h ALA 49 CO 0.00 -0.62 -0.49 1.25 0.00 0.00 0.00 179.25 179.39 1r6r h LEU 50 N -0.22 -1.24 -1.38 0.00 5.85 -1.41 0.11 115.31 117.02 1r6r h LEU 50 Ca 0.01 0.07 0.01 0.00 0.84 0.00 0.00 57.88 58.81 1r6r h LEU 50 Cb 0.22 0.36 -0.03 0.00 0.37 0.00 0.00 40.66 41.58 1r6r h LEU 50 CO -0.04 -0.75 0.43 0.58 -0.34 0.00 0.00 178.44 178.32 1r6r h VAL 51 N -1.20 1.15 0.07 1.05 2.07 -1.37 -2.44 116.25 115.58 1r6r h VAL 51 Ca -0.11 -0.29 -0.00 0.00 0.82 0.00 0.00 66.70 67.12 1r6r h VAL 51 Cb 0.96 0.23 0.00 0.00 -1.52 0.00 0.00 31.29 30.96 1r6r h VAL 51 CO 0.10 0.15 -0.03 0.00 0.02 0.00 0.00 177.57 177.82 1r6r h ALA 52 N 1.61 -0.09 -0.22 1.67 0.00 0.26 0.54 119.26 123.03 1r6r h ALA 52 Ca 0.24 -0.08 0.04 0.00 0.00 0.00 0.00 54.91 55.12 1r6r h ALA 52 Cb -0.07 0.03 -0.07 0.00 0.00 0.00 0.00 17.79 17.69 1r6r h ALA 52 CO -0.06 -0.49 -0.49 0.35 0.00 0.00 0.00 179.25 178.56 1r6r h PHE 53 N -0.21 -1.46 -0.91 0.00 3.57 -0.33 0.49 116.94 118.09 1r6r h PHE 53 Ca -0.01 0.06 0.01 0.00 3.53 0.00 0.00 57.97 61.56 1r6r h PHE 53 Cb 0.18 0.67 -0.04 0.00 2.79 0.00 0.00 35.95 39.55 1r6r h PHE 53 CO -0.03 -0.51 0.59 -0.07 -2.23 0.00 0.00 178.31 176.06 1r6r h LEU 54 N -0.49 1.05 0.00 0.59 -0.00 -1.37 0.64 115.31 115.73 1r6r h LEU 54 Ca 0.07 -0.03 0.00 0.00 -0.00 0.00 0.00 57.88 57.91 1r6r h LEU 54 Cb 0.64 -0.26 0.00 0.00 -0.00 0.00 0.00 40.66 41.04 1r6r h LEU 54 CO -0.47 0.77 0.00 -1.14 -0.00 0.00 0.00 178.44 177.60 1r6r n ARG 55 N -4.39 0.25 -0.01 1.13 0.00 0.19 0.10 116.66 113.93 1r6r n ARG 55 Ca 0.10 0.13 0.06 0.00 -0.00 0.00 0.00 57.85 58.14 1r6r n ARG 55 Cb 0.03 -1.50 -0.10 0.00 0.00 0.00 0.00 32.46 30.88 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 -1.23 0.00 -0.10 -0.14 3.01 0.14 -4.31 117.46 114.84 1r6r n PHE 56 Ca 0.07 0.00 -0.15 0.00 1.01 0.00 0.00 57.45 58.38 1r6r n PHE 56 Cb 0.10 -0.32 -0.08 0.00 -0.01 0.00 0.00 39.48 39.16 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 -1.99 2.59 0.00 4.37 4.77 -0.86 -4.86 117.00 121.03 1r6r n LEU 57 Ca -0.03 -0.01 0.00 0.00 -0.03 0.00 0.00 56.01 55.93 1r6r n LEU 57 Cb 0.38 -0.65 0.00 0.00 -2.33 0.00 0.00 43.42 40.82 1r6r n LEU 57 CO 0.28 0.72 -0.01 0.41 -1.33 0.00 0.00 177.39 177.47 1r6r n THR 58 N -3.28 0.00 -3.57 -5.08 -1.04 -0.56 -5.06 114.28 95.69 1r6r n THR 58 Ca -0.35 -0.09 -0.27 0.00 -2.04 0.00 0.00 64.05 61.30 1r6r n THR 58 Cb 0.84 0.92 0.05 0.00 -1.82 0.00 0.00 70.33 70.33 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 -0.21 -6.69 -2.79 12.58 -0.00 0.28 -4.92 119.36 117.61 1r6r n ILE 59 Ca 0.00 -1.05 -0.38 0.00 -0.00 0.00 0.00 62.75 61.32 1r6r n ILE 59 Cb 0.00 -4.91 0.00 0.00 -0.00 0.00 0.00 39.64 34.73 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 -3.93 4.73 -2.08 0.38 -0.04 -1.26 -4.93 135.00 127.87 1r6r n PRO 60 Ca -0.10 -4.69 -0.43 0.00 -0.04 0.00 0.00 63.50 58.24 1r6r n PRO 60 Cb 0.60 -2.42 -0.03 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 -3.84 3.34 1.15 0.54 0.04 -1.26 -4.97 135.00 130.00 1r6r s PRO 61 Ca 0.40 1.26 -0.16 0.00 0.04 0.00 0.00 61.00 62.54 1r6r s PRO 61 Cb 0.18 -4.17 0.20 0.00 0.04 0.00 0.00 34.50 30.75 1r6r s PRO 61 CO -0.09 -1.86 0.49 -2.37 0.04 0.00 0.00 177.00 173.21 1r6r n THR 62 N 7.33 0.00 -0.21 1.26 5.66 -1.26 -4.78 114.28 122.27 1r6r n THR 62 Ca 0.21 -0.38 0.01 0.00 -3.05 0.00 0.00 64.05 60.84 1r6r n THR 62 Cb 0.47 -0.79 0.12 0.00 -1.55 0.00 0.00 70.33 68.58 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 -2.38 0.82 -0.44 1.79 0.00 -0.39 -2.28 119.26 116.37 1r6r h ALA 63 Ca -0.58 0.10 0.06 0.00 0.00 0.00 0.00 54.91 54.48 1r6r h ALA 63 Cb 1.35 0.09 -0.05 0.00 0.00 0.00 0.00 17.79 19.18 1r6r h ALA 63 CO 0.44 -0.22 0.15 0.78 0.00 0.00 0.00 179.25 180.40 1r6r h GLY 64 N 0.38 0.57 -0.28 0.00 0.00 -1.83 -0.95 103.07 100.96 1r6r h GLY 64 Ca 0.33 -0.09 0.30 0.00 0.00 0.00 0.00 47.33 47.87 1r6r h GLY 64 CO -0.34 0.02 0.71 -2.22 0.00 0.00 0.00 176.54 174.71 1r6r h ILE 65 N 0.32 0.46 0.00 2.60 1.08 -1.72 0.59 117.51 120.85 1r6r h ILE 65 Ca 0.20 -0.11 -0.07 0.00 -0.39 0.00 0.00 64.86 64.50 1r6r h ILE 65 Cb 0.20 0.13 -0.01 0.00 -3.07 0.00 0.00 36.82 34.06 1r6r h ILE 65 CO -0.21 0.06 -0.44 -0.07 -0.69 0.00 0.00 178.15 176.79 1r6r h LEU 66 N 0.31 0.00 -1.74 1.44 -0.00 -1.33 -1.86 115.31 112.13 1r6r h LEU 66 Ca 0.62 -0.49 0.11 0.00 -0.00 0.00 0.00 57.88 58.12 1r6r h LEU 66 Cb 1.72 0.00 -0.03 0.00 -0.00 0.00 0.00 40.66 42.35 1r6r h LEU 66 CO -0.28 1.00 0.38 0.11 -0.00 0.00 0.00 178.44 179.65 1r6r h LYS 67 N -1.00 0.28 0.04 1.13 1.79 -0.60 -0.36 116.57 117.84 1r6r h LYS 67 Ca -0.10 -0.02 -0.26 0.00 -2.18 0.00 0.00 60.65 58.10 1r6r h LYS 67 Cb 0.80 -0.06 -0.03 0.00 -1.58 0.00 0.00 32.23 31.36 1r6r h LYS 67 CO -0.06 0.19 -1.31 0.07 -1.08 0.00 0.00 179.45 177.26 1r6r h ARG 68 N 0.29 0.08 -1.12 3.15 0.11 0.05 -3.33 114.38 113.61 1r6r h ARG 68 Ca 0.26 -0.13 0.31 0.00 0.10 0.00 0.00 59.98 60.52 1r6r h ARG 68 Cb 0.63 0.05 -0.09 0.00 1.11 0.00 0.00 29.97 31.67 1r6r h ARG 68 CO -0.06 0.92 0.74 2.35 0.10 0.00 0.00 179.97 184.02 1r6r h TRP 69 N 0.02 0.52 -0.87 4.08 -0.00 -0.17 -0.49 115.95 119.03 1r6r h TRP 69 Ca -0.14 0.02 -0.60 0.00 -0.00 0.00 0.00 58.89 58.17 1r6r h TRP 69 Cb 1.90 -0.15 -0.37 0.00 -0.00 0.00 0.00 29.16 30.54 1r6r h TRP 69 CO 0.02 -0.00 -0.14 0.41 -0.00 0.00 0.00 178.44 178.73 1r6r n GLY 70 N -1.53 6.19 0.63 2.65 0.00 -1.21 -4.54 105.19 107.38 1r6r n GLY 70 Ca 0.28 -2.53 -0.02 0.00 0.00 0.00 0.00 46.02 43.75 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 -0.79 0.00 0.00 2.61 5.66 -0.21 -5.10 114.28 116.46 1r6r n THR 71 Ca 0.51 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.51 1r6r n THR 71 Cb 0.84 0.16 0.00 0.00 -1.55 0.00 0.00 70.33 69.78 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 -0.01 1.09 -5.35 -1.15 -5.01 119.36 108.94 1r6r n ILE 72 Ca -0.09 0.00 -0.01 0.00 -0.27 0.00 0.00 62.75 62.38 1r6r n ILE 72 Cb 0.53 0.00 -0.01 0.00 -1.74 0.00 0.00 39.64 38.42 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 2.17 0.00 6.28 3.00 -1.26 -5.00 118.16 123.35 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 -1.03 0.00 0.00 0.00 0.00 0.00 35.03 34.00 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 -2.26 0.00 -0.29 1.64 4.76 -1.26 -4.49 118.16 116.26 1r6r n LYS 74 Ca -0.03 0.00 -0.03 0.00 -2.87 0.00 0.00 58.31 55.38 1r6r n LYS 74 Cb 0.54 -0.05 0.08 0.00 -1.84 0.00 0.00 35.03 33.76 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 0.88 0.02 4.39 4.64 -1.98 0.58 113.55 122.08 1r6r h SER 75 Ca 0.00 -0.01 -0.20 0.00 -0.47 0.00 0.00 61.79 61.11 1r6r h SER 75 Cb 0.00 -0.21 0.02 0.00 -0.31 0.00 0.00 62.40 61.90 1r6r h SER 75 CO 0.00 0.62 -0.80 0.50 -0.87 0.00 0.00 176.83 176.28 1r6r h LYS 76 N 1.03 0.50 0.31 4.77 1.63 -1.99 -2.01 116.57 120.82 1r6r h LYS 76 Ca 0.30 -0.57 -0.02 0.00 -0.85 0.00 0.00 60.65 59.52 1r6r h LYS 76 Cb -0.06 0.17 0.00 0.00 -0.60 0.00 0.00 32.23 31.75 1r6r h LYS 76 CO -0.09 1.20 -0.15 0.00 -3.45 0.00 0.00 179.45 176.97 1r6r h ALA 77 N 0.32 -0.42 -0.92 5.00 0.00 -1.81 0.37 119.26 121.80 1r6r h ALA 77 Ca -0.11 -0.13 0.03 0.00 0.00 0.00 0.00 54.91 54.71 1r6r h ALA 77 Cb 1.50 0.16 -0.05 0.00 0.00 0.00 0.00 17.79 19.40 1r6r h ALA 77 CO 0.16 -0.68 0.60 0.82 0.00 0.00 0.00 179.25 180.14 1r6r h ILE 78 N -0.52 1.16 -0.66 0.00 2.04 0.06 0.11 117.51 119.70 1r6r h ILE 78 Ca -0.04 -0.40 -0.06 0.00 1.00 0.00 0.00 64.86 65.35 1r6r h ILE 78 Cb 0.39 -0.11 -0.03 0.00 -0.74 0.00 0.00 36.82 36.33 1r6r h ILE 78 CO 0.07 0.21 0.17 0.78 0.00 0.00 0.00 178.15 179.38 1r6r h ASN 79 N 1.17 0.99 -0.39 1.72 2.35 -1.09 -1.21 115.58 119.12 1r6r h ASN 79 Ca 0.36 -0.23 0.02 0.00 -0.55 0.00 0.00 56.30 55.90 1r6r h ASN 79 Cb -0.01 -0.26 -0.03 0.00 0.05 0.00 0.00 38.32 38.07 1r6r h ASN 79 CO -0.12 0.97 0.22 0.58 -1.65 0.00 0.00 177.43 177.43 1r6r h VAL 80 N 0.98 1.03 -0.29 2.81 2.07 0.99 0.06 116.25 123.89 1r6r h VAL 80 Ca 0.21 -0.16 0.02 0.00 0.82 0.00 0.00 66.70 67.59 1r6r h VAL 80 Cb 0.35 0.53 -0.02 0.00 -1.52 0.00 0.00 31.29 30.64 1r6r h VAL 80 CO 0.00 0.08 0.20 0.25 0.02 0.00 0.00 177.57 178.12 1r6r h LEU 81 N 0.45 0.28 -0.38 2.57 5.85 -0.37 0.25 115.31 123.96 1r6r h LEU 81 Ca 0.16 -0.01 -0.09 0.00 0.84 0.00 0.00 57.88 58.79 1r6r h LEU 81 Cb 0.02 -0.07 -0.01 0.00 0.37 0.00 0.00 40.66 40.97 1r6r h LEU 81 CO -0.08 0.20 -0.10 -0.09 -0.34 0.00 0.00 178.44 178.02 1r6r h ARG 82 N 0.33 0.74 -0.16 1.25 9.65 0.16 -2.17 114.38 124.18 1r6r h ARG 82 Ca 0.12 -0.29 -0.07 0.00 -1.10 0.00 0.00 59.98 58.64 1r6r h ARG 82 Cb 0.07 -0.04 -0.01 0.00 -1.39 0.00 0.00 29.97 28.59 1r6r h ARG 82 CO -0.03 0.89 -0.22 0.78 2.80 0.00 0.00 179.97 184.20 1r6r h GLY 83 N 0.54 0.30 1.00 2.80 0.00 0.48 -2.14 103.07 106.05 1r6r h GLY 83 Ca 0.10 -0.21 0.01 0.00 0.00 0.00 0.00 47.33 47.22 1r6r h GLY 83 CO 0.04 0.20 0.41 0.74 0.00 0.00 0.00 176.54 177.93 1r6r h PHE 84 N 0.25 0.78 -0.43 5.60 0.04 -0.06 0.45 116.94 123.58 1r6r h PHE 84 Ca 0.04 0.02 -0.08 0.00 2.80 0.00 0.00 57.97 60.75 1r6r h PHE 84 Cb 0.53 -0.26 -0.02 0.00 2.20 0.00 0.00 35.95 38.40 1r6r h PHE 84 CO 0.01 0.49 -0.06 -0.09 -0.60 0.00 0.00 178.31 178.06 1r6r h ARG 85 N 0.84 0.73 -0.25 1.51 1.12 -0.88 -0.28 114.38 117.16 1r6r h ARG 85 Ca 0.23 -0.21 -0.14 0.00 -1.11 0.00 0.00 59.98 58.74 1r6r h ARG 85 Cb -0.10 -0.08 -0.00 0.00 -0.01 0.00 0.00 29.97 29.79 1r6r h ARG 85 CO -0.05 0.78 -0.40 0.87 -3.11 0.00 0.00 179.97 178.06 1r6r h LYS 86 N 0.67 0.71 -0.64 0.20 6.56 -0.70 -1.92 116.57 121.46 1r6r h LYS 86 Ca 0.12 -0.43 -0.07 0.00 -1.06 0.00 0.00 60.65 59.21 1r6r h LYS 86 Cb 0.50 0.04 -0.03 0.00 -0.57 0.00 0.00 32.23 32.18 1r6r h LYS 86 CO 0.03 1.05 0.11 0.93 -2.06 0.00 0.00 179.45 179.51 1r6r h GLU 87 N 0.44 1.05 -0.32 3.15 4.39 0.10 -2.10 114.58 121.30 1r6r h GLU 87 Ca 0.02 -0.28 -0.08 0.00 0.34 0.00 0.00 59.36 59.37 1r6r h GLU 87 Cb 0.99 -0.13 -0.02 0.00 -0.10 0.00 0.00 28.75 29.50 1r6r h GLU 87 CO 0.09 0.97 -0.12 0.97 -1.16 0.00 0.00 179.01 179.76 1r6r h ILE 88 N 0.97 1.24 -0.86 3.13 6.09 -1.01 -1.60 117.51 125.46 1r6r h ILE 88 Ca 0.20 -1.05 -0.02 0.00 -1.37 0.00 0.00 64.86 62.62 1r6r h ILE 88 Cb 0.42 1.12 -0.04 0.00 0.47 0.00 0.00 36.82 38.79 1r6r h ILE 88 CO 0.01 0.35 0.46 1.23 -3.07 0.00 0.00 178.15 177.13 1r6r h GLY 89 N 0.94 1.29 1.56 8.18 0.00 -0.87 -0.98 103.07 113.20 1r6r h GLY 89 Ca 0.09 -0.59 -0.09 0.00 0.00 0.00 0.00 47.33 46.75 1r6r h GLY 89 CO 0.03 0.57 -0.19 3.21 0.00 0.00 0.00 176.54 180.16 1r6r h ARG 90 N 1.21 0.52 -0.90 4.80 3.08 -0.72 -2.36 114.38 120.01 1r6r h ARG 90 Ca 0.30 -0.18 0.06 0.00 0.07 0.00 0.00 59.98 60.24 1r6r h ARG 90 Cb 0.04 -0.04 -0.06 0.00 0.08 0.00 0.00 29.97 29.99 1r6r h ARG 90 CO -0.05 0.69 0.57 1.98 -1.07 0.00 0.00 179.97 182.09 1r6r h MET 91 N 0.47 1.01 -0.50 0.04 4.05 -0.26 -0.06 114.93 119.68 1r6r h MET 91 Ca 0.08 -0.06 -0.02 0.00 -0.28 0.00 0.00 59.70 59.42 1r6r h MET 91 Cb 0.59 -0.23 -0.02 0.00 -0.80 0.00 0.00 31.60 31.14 1r6r h MET 91 CO 0.04 0.67 0.23 -0.07 0.23 0.00 0.00 176.91 178.01 1r6r h LEU 92 N 1.04 0.67 -2.03 3.39 3.38 -0.93 0.18 115.31 121.00 1r6r h LEU 92 Ca 0.39 -0.14 0.11 0.00 0.09 0.00 0.00 57.88 58.33 1r6r h LEU 92 Cb 0.15 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.71 1r6r h LEU 92 CO -0.17 0.62 0.39 0.78 0.09 0.00 0.00 178.44 180.15 1r6r h ASN 93 N 0.67 0.00 0.28 -0.43 2.35 -0.60 0.46 115.58 118.30 1r6r h ASN 93 Ca 0.17 0.00 -0.34 0.00 -0.55 0.00 0.00 56.30 55.58 1r6r h ASN 93 Cb 0.14 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.51 1r6r h ASN 93 CO -0.02 0.00 -1.70 0.40 -1.65 0.00 0.00 177.43 174.46 1r6r h ILE 94 N 0.00 0.98 -0.50 2.81 2.04 0.20 -3.35 117.51 119.69 1r6r h ILE 94 Ca 0.18 -2.60 0.00 0.00 1.00 0.00 0.00 64.86 63.44 1r6r h ILE 94 Cb 0.95 2.74 0.00 0.00 -0.74 0.00 0.00 36.82 39.77 1r6r h ILE 94 CO -0.00 0.84 0.00 0.00 0.00 0.00 0.00 178.15 178.99 1r6r n LEU 95 N -3.53 4.01 -0.23 1.44 -0.00 0.35 -3.94 117.00 115.11 1r6r n LEU 95 Ca -0.22 -2.03 0.02 0.00 -0.00 0.00 0.00 56.01 53.79 1r6r n LEU 95 Cb 1.06 -0.54 0.04 0.00 -0.00 0.00 0.00 43.42 43.99 1r6r n LEU 95 CO 0.50 0.64 0.41 0.59 -0.00 0.00 0.00 177.39 179.53 1r6r n ASN 96 N 0.78 1.77 -1.17 1.45 3.02 0.13 -4.53 115.26 116.72 1r6r n ASN 96 Ca 0.21 -1.49 0.10 0.00 -0.03 0.00 0.00 54.58 53.36 1r6r n ASN 96 Cb 0.78 -0.04 0.28 0.00 -0.61 0.00 0.00 39.78 40.19 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 0.16 2.83 0.03 3.52 0.63 -1.25 -4.50 116.66 118.07 1r6r n ARG 97 Ca 0.04 -2.51 0.15 0.00 -0.92 0.00 0.00 57.85 54.60 1r6r n ARG 97 Cb 0.20 -1.51 0.62 0.00 0.45 0.00 0.00 32.46 32.22 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 3.64 0.12 -0.98 -0.14 0.11 -1.83 -3.45 114.38 111.86 1r6r h ARG 98 Ca 0.00 -0.01 -0.32 0.00 0.10 0.00 0.00 59.98 59.76 1r6r h ARG 98 Cb 0.95 -0.03 -0.13 0.00 1.11 0.00 0.00 29.97 31.87 1r6r h ARG 98 CO 0.01 0.08 -0.29 -2.13 0.10 0.00 0.00 179.97 177.75 1r6r n ARG 99 N -4.44 -1.48 0.00 0.08 0.63 -1.26 -5.24 116.66 104.94 1r6r n ARG 99 Ca 0.07 0.98 0.00 0.00 -0.92 0.00 0.00 57.85 57.98 1r6r n ARG 99 Cb 0.43 -5.30 0.00 0.00 0.45 0.00 0.00 32.46 28.04 1r6r n ARG 99 CO 0.00 0.00 0.00 2.89 -2.51 0.00 0.00 177.63 178.01