#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 -6.45 0.00 1.20 5.12 -1.26 -4.70 116.66 110.58 1r6r n ARG 22 Ca 0.00 0.75 0.00 0.00 -1.93 0.00 0.00 57.85 56.67 1r6r n ARG 22 Cb 0.00 -5.66 0.00 0.00 -1.16 0.00 0.00 32.46 25.64 1r6r n ARG 22 CO 0.00 0.00 0.00 1.55 -1.93 0.00 0.00 177.63 177.25 1r6r n VAL 23 N -4.50 0.00 0.04 1.55 3.14 -1.26 0.53 118.33 117.84 1r6r n VAL 23 Ca -0.16 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.23 1r6r n VAL 23 Cb 0.62 0.00 0.18 0.00 -1.06 0.00 0.00 33.84 33.57 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 -0.11 3.33 -0.06 6.55 7.64 -1.26 -3.91 113.62 125.79 1r6r n SER 24 Ca 0.00 -2.52 -0.04 0.00 1.01 0.00 0.00 58.87 57.32 1r6r n SER 24 Cb 0.00 -0.61 -0.13 0.00 -1.01 0.00 0.00 64.21 62.46 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 0.18 0.84 1.20 0.44 -1.04 -1.26 -4.32 114.28 110.32 1r6r n THR 25 Ca 0.17 -0.61 0.13 0.00 -2.04 0.00 0.00 64.05 61.69 1r6r n THR 25 Cb 0.79 -0.41 0.45 0.00 -1.82 0.00 0.00 70.33 69.34 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 -2.48 0.00 -0.15 12.58 3.14 -1.25 -3.85 118.33 126.32 1r6r n VAL 26 Ca -0.21 -0.05 -0.03 0.00 -2.96 0.00 0.00 64.34 61.08 1r6r n VAL 26 Cb 0.89 0.08 0.17 0.00 -1.06 0.00 0.00 33.84 33.92 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 0.51 0.87 -0.50 1.45 1.08 -1.76 -2.38 115.11 114.38 1r6r h GLN 27 Ca 0.00 -0.18 0.10 0.00 -1.45 0.00 0.00 58.65 57.12 1r6r h GLN 27 Cb 0.45 -0.13 -0.09 0.00 -0.05 0.00 0.00 27.48 27.66 1r6r h GLN 27 CO 0.00 0.78 -0.07 -0.56 -0.95 0.00 0.00 178.83 178.03 1r6r h GLN 28 N 0.84 0.04 0.05 1.46 -0.00 -1.84 -0.98 115.11 114.69 1r6r h GLN 28 Ca 0.18 -0.00 -0.24 0.00 -0.00 0.00 0.00 58.65 58.59 1r6r h GLN 28 Cb 0.31 -0.01 -0.00 0.00 -0.00 0.00 0.00 27.48 27.77 1r6r h GLN 28 CO -0.00 0.03 -1.05 1.37 -0.00 0.00 0.00 178.83 179.18 1r6r h LEU 29 N 0.05 0.35 -2.22 0.06 8.10 -1.81 -0.87 115.31 118.97 1r6r h LEU 29 Ca 0.25 -0.33 0.04 0.00 0.11 0.00 0.00 57.88 57.95 1r6r h LEU 29 Cb 0.38 -0.11 -0.01 0.00 -0.44 0.00 0.00 40.66 40.48 1r6r h LEU 29 CO -0.48 1.19 0.12 0.74 -4.11 0.00 0.00 178.44 175.90 1r6r h THR 30 N 0.11 0.63 0.00 0.15 2.02 -0.80 0.33 112.91 115.35 1r6r h THR 30 Ca -0.08 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.10 1r6r h THR 30 Cb 1.74 0.91 0.00 0.00 -1.74 0.00 0.00 68.15 69.06 1r6r h THR 30 CO 0.17 0.00 -1.46 2.29 0.37 0.00 0.00 175.52 176.89 1r6r n LYS 31 N -4.03 0.80 0.00 6.66 2.85 -0.45 -4.42 118.16 119.56 1r6r n LYS 31 Ca 0.00 -0.11 0.13 0.00 -1.05 0.00 0.00 58.31 57.28 1r6r n LYS 31 Cb 0.23 -1.30 0.27 0.00 -0.65 0.00 0.00 35.03 33.58 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 -1.87 1.60 -0.09 -1.58 0.00 -0.33 -4.08 116.66 110.31 1r6r n ARG 32 Ca -0.02 -1.16 0.03 0.00 -0.00 0.00 0.00 57.85 56.71 1r6r n ARG 32 Cb 0.34 -1.48 0.08 0.00 0.00 0.00 0.00 32.46 31.40 1r6r n ARG 32 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 177.63 179.60 1r6r n PHE 33 N 0.31 0.23 0.27 -0.14 -1.74 0.05 -4.62 117.46 111.81 1r6r n PHE 33 Ca 0.14 -0.53 0.18 0.00 -0.56 0.00 0.00 57.45 56.68 1r6r n PHE 33 Cb 0.45 -0.05 0.97 0.00 1.52 0.00 0.00 39.48 42.36 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 0.90 0.00 0.34 5.98 0.02 -1.77 -1.67 113.55 117.34 1r6r h SER 34 Ca 0.00 0.00 -0.13 0.00 -0.84 0.00 0.00 61.79 60.82 1r6r h SER 34 Cb 0.65 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.18 1r6r h SER 34 CO 0.01 0.00 -0.53 0.17 -1.14 0.00 0.00 176.83 175.33 1r6r h LEU 35 N 0.00 0.24 0.00 5.07 8.10 -1.90 -3.49 115.31 123.33 1r6r h LEU 35 Ca 0.00 -0.12 0.00 0.00 0.11 0.00 0.00 57.88 57.87 1r6r h LEU 35 Cb 0.01 -0.07 0.00 0.00 -0.44 0.00 0.00 40.66 40.16 1r6r h LEU 35 CO 0.00 0.73 0.00 0.61 -4.11 0.00 0.00 178.44 175.67 1r6r n GLY 36 N 0.10 2.47 2.30 0.17 0.00 -0.63 -4.99 105.19 104.62 1r6r n GLY 36 Ca -0.02 -0.05 -0.16 0.00 0.00 0.00 0.00 46.02 45.79 1r6r n GLY 36 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1r6r n MET 37 N 0.00 -1.66 -0.02 1.61 2.81 -1.26 -4.79 117.12 113.82 1r6r n MET 37 Ca 0.00 0.85 0.05 0.00 -1.81 0.00 0.00 57.70 56.79 1r6r n MET 37 Cb 0.00 -5.29 -0.11 0.00 -0.71 0.00 0.00 33.22 27.11 1r6r n MET 37 CO 0.00 0.00 0.00 1.47 1.51 0.00 0.00 175.97 178.95 1r6r n LEU 38 N -2.43 0.00 -0.15 4.03 -0.00 -1.26 -4.55 117.00 112.64 1r6r n LEU 38 Ca -0.17 0.00 0.02 0.00 -0.00 0.00 0.00 56.01 55.86 1r6r n LEU 38 Cb 0.57 0.05 0.01 0.00 -0.00 0.00 0.00 43.42 44.05 1r6r n LEU 38 CO 0.23 0.05 0.28 0.00 -0.00 0.00 0.00 177.39 177.94 1r6r n GLN 39 N -2.06 0.37 0.00 1.47 1.13 -1.26 -4.97 117.38 112.06 1r6r n GLN 39 Ca -0.05 -0.66 0.00 0.00 -1.94 0.00 0.00 57.00 54.35 1r6r n GLN 39 Cb 0.45 -1.03 0.00 0.00 0.11 0.00 0.00 30.24 29.77 1r6r n GLN 39 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1r6r n GLY 40 N 0.35 1.55 6.04 1.08 0.00 -1.26 -5.04 105.19 107.90 1r6r n GLY 40 Ca 0.02 -0.11 0.00 0.00 0.00 0.00 0.00 46.02 45.93 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 0.02 1.61 3.00 -1.26 -4.33 116.66 115.70 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 -1.84 0.10 5.14 0.00 -1.26 -4.99 105.19 102.35 1r6r n GLY 42 Ca 0.00 0.45 -0.20 0.00 0.00 0.00 0.00 46.02 46.27 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 0.06 -1.41 1.61 0.13 -2.01 -3.48 132.00 126.90 1r6r h PRO 43 Ca 0.00 -0.11 -0.33 0.00 -0.87 0.00 0.00 66.00 64.69 1r6r h PRO 43 Cb 0.00 0.04 -0.12 0.00 0.13 0.00 0.00 31.00 31.05 1r6r h PRO 43 CO 0.00 1.05 -0.31 -0.11 -0.23 0.00 0.00 178.00 178.40 1r6r n LEU 44 N -4.33 -1.22 -0.04 1.56 0.00 -1.26 -4.78 117.00 106.92 1r6r n LEU 44 Ca -0.25 0.38 -0.09 0.00 0.00 0.00 0.00 56.01 56.05 1r6r n LEU 44 Cb 0.69 -2.36 -0.14 0.00 0.00 0.00 0.00 43.42 41.60 1r6r n LEU 44 CO 0.28 -0.80 -0.68 2.29 0.00 0.00 0.00 177.39 178.49 1r6r n LYS 45 N -2.15 0.65 -0.26 1.96 2.85 -1.26 -4.28 118.16 115.67 1r6r n LYS 45 Ca -0.17 0.23 0.14 0.00 -1.05 0.00 0.00 58.31 57.46 1r6r n LYS 45 Cb 0.55 -1.73 0.27 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 -2.98 -0.01 0.02 -5.58 -0.00 -1.26 0.71 117.00 107.90 1r6r n LEU 46 Ca -0.21 1.27 -0.18 0.00 -0.00 0.00 0.00 56.01 56.89 1r6r n LEU 46 Cb 1.08 -0.50 -0.13 0.00 -0.00 0.00 0.00 43.42 43.87 1r6r n LEU 46 CO 0.44 -1.32 0.17 0.15 -0.00 0.00 0.00 177.39 176.84 1r6r h PHE 47 N 0.00 0.55 -0.09 1.96 3.57 -1.99 -2.62 116.94 118.33 1r6r h PHE 47 Ca 0.50 -0.35 0.02 0.00 3.53 0.00 0.00 57.97 61.68 1r6r h PHE 47 Cb 1.11 -0.04 -0.03 0.00 2.79 0.00 0.00 35.95 39.78 1r6r h PHE 47 CO -0.30 1.21 -0.06 1.98 -2.23 0.00 0.00 178.31 178.91 1r6r h MET 48 N -0.26 -0.07 -0.65 1.11 4.05 0.10 -1.10 114.93 118.11 1r6r h MET 48 Ca -0.10 0.00 0.02 0.00 -0.28 0.00 0.00 59.70 59.34 1r6r h MET 48 Cb 1.44 0.01 -0.04 0.00 -0.80 0.00 0.00 31.60 32.22 1r6r h MET 48 CO 0.13 -0.04 0.41 0.00 0.23 0.00 0.00 176.91 177.64 1r6r h ALA 49 N 1.01 0.84 0.74 0.39 0.00 0.06 0.45 119.26 122.75 1r6r h ALA 49 Ca 0.06 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.90 1r6r h ALA 49 Cb 0.15 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.72 1r6r h ALA 49 CO -0.13 0.19 -0.40 1.25 0.00 0.00 0.00 179.25 180.17 1r6r h LEU 50 N 0.83 -0.96 -1.91 0.00 5.85 -1.02 0.24 115.31 118.33 1r6r h LEU 50 Ca 0.25 0.04 -0.01 0.00 0.84 0.00 0.00 57.88 59.00 1r6r h LEU 50 Cb -0.03 0.26 -0.00 0.00 0.37 0.00 0.00 40.66 41.26 1r6r h LEU 50 CO -0.08 -0.64 -0.05 0.58 -0.34 0.00 0.00 178.44 177.90 1r6r h VAL 51 N -1.04 1.02 0.01 1.05 2.07 -1.15 -2.28 116.25 115.93 1r6r h VAL 51 Ca -0.10 -0.18 -0.00 0.00 0.82 0.00 0.00 66.70 67.24 1r6r h VAL 51 Cb 0.82 1.10 0.00 0.00 -1.52 0.00 0.00 31.29 31.68 1r6r h VAL 51 CO 0.14 0.05 -0.01 0.00 0.02 0.00 0.00 177.57 177.78 1r6r h ALA 52 N 1.95 -0.01 -0.19 1.67 0.00 0.33 0.39 119.26 123.39 1r6r h ALA 52 Ca -0.00 -0.13 0.05 0.00 0.00 0.00 0.00 54.91 54.83 1r6r h ALA 52 Cb 0.09 0.01 -0.06 0.00 0.00 0.00 0.00 17.79 17.82 1r6r h ALA 52 CO 0.01 -0.38 -0.24 0.35 0.00 0.00 0.00 179.25 178.99 1r6r h PHE 53 N -0.27 -0.64 -0.74 0.00 3.57 0.03 0.53 116.94 119.40 1r6r h PHE 53 Ca -0.00 0.03 0.01 0.00 3.53 0.00 0.00 57.97 61.54 1r6r h PHE 53 Cb 0.27 0.31 -0.04 0.00 2.79 0.00 0.00 35.95 39.28 1r6r h PHE 53 CO 0.01 -0.32 0.49 -0.07 -2.23 0.00 0.00 178.31 176.19 1r6r h LEU 54 N -0.28 0.86 0.00 0.59 -0.00 -1.37 0.22 115.31 115.33 1r6r h LEU 54 Ca 0.12 -0.02 0.00 0.00 -0.00 0.00 0.00 57.88 57.98 1r6r h LEU 54 Cb 0.46 -0.21 0.00 0.00 -0.00 0.00 0.00 40.66 40.90 1r6r h LEU 54 CO -0.35 0.62 0.00 -1.14 -0.00 0.00 0.00 178.44 177.58 1r6r n ARG 55 N -4.42 0.26 -0.03 1.13 0.00 0.14 0.88 116.66 114.62 1r6r n ARG 55 Ca 0.08 0.11 0.04 0.00 -0.00 0.00 0.00 57.85 58.08 1r6r n ARG 55 Cb 0.03 -1.50 -0.15 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 -1.30 0.11 -0.09 -0.14 3.01 0.15 -4.27 117.46 114.93 1r6r n PHE 56 Ca 0.09 0.03 -0.13 0.00 1.01 0.00 0.00 57.45 58.45 1r6r n PHE 56 Cb 0.16 -0.70 -0.08 0.00 -0.01 0.00 0.00 39.48 38.84 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 -2.46 2.85 0.00 4.37 4.77 -0.90 -4.89 117.00 120.74 1r6r n LEU 57 Ca -0.13 -0.07 0.00 0.00 -0.03 0.00 0.00 56.01 55.78 1r6r n LEU 57 Cb 0.76 -0.63 0.00 0.00 -2.33 0.00 0.00 43.42 41.21 1r6r n LEU 57 CO 0.45 0.77 0.00 0.41 -1.33 0.00 0.00 177.39 177.69 1r6r n THR 58 N -3.11 0.00 -3.51 -5.08 -1.04 -0.54 -5.06 114.28 95.94 1r6r n THR 58 Ca -0.33 0.00 -0.23 0.00 -2.04 0.00 0.00 64.05 61.45 1r6r n THR 58 Cb 0.84 0.81 0.04 0.00 -1.82 0.00 0.00 70.33 70.20 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 -7.06 -2.87 12.58 -0.00 0.25 -4.92 119.36 117.34 1r6r n ILE 59 Ca 0.00 -0.92 -0.38 0.00 -0.00 0.00 0.00 62.75 61.44 1r6r n ILE 59 Cb 0.00 -5.12 -0.00 0.00 -0.00 0.00 0.00 39.64 34.52 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 -3.56 4.55 -2.05 0.38 -0.04 -1.26 -4.94 135.00 128.08 1r6r n PRO 60 Ca -0.09 -4.67 -0.41 0.00 -0.04 0.00 0.00 63.50 58.29 1r6r n PRO 60 Cb 0.59 -2.43 -0.03 0.00 -0.04 0.00 0.00 33.50 31.60 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 -3.56 3.10 1.06 0.54 0.04 -1.26 -4.97 135.00 129.96 1r6r s PRO 61 Ca 0.38 1.09 -0.13 0.00 0.04 0.00 0.00 61.00 62.38 1r6r s PRO 61 Cb 0.16 -4.25 0.17 0.00 0.04 0.00 0.00 34.50 30.61 1r6r s PRO 61 CO -0.05 -2.14 0.69 -2.37 0.04 0.00 0.00 177.00 173.17 1r6r n THR 62 N 7.32 0.00 -0.22 1.26 5.66 -1.26 -4.71 114.28 122.33 1r6r n THR 62 Ca 0.21 -0.26 0.02 0.00 -3.05 0.00 0.00 64.05 60.97 1r6r n THR 62 Cb 0.49 -0.83 0.11 0.00 -1.55 0.00 0.00 70.33 68.55 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 -2.16 0.63 -0.74 1.79 0.00 -0.20 -0.93 119.26 117.65 1r6r h ALA 63 Ca -0.52 0.21 0.10 0.00 0.00 0.00 0.00 54.91 54.70 1r6r h ALA 63 Cb 1.32 0.37 -0.08 0.00 0.00 0.00 0.00 17.79 19.40 1r6r h ALA 63 CO 0.42 -0.40 0.37 0.78 0.00 0.00 0.00 179.25 180.41 1r6r h GLY 64 N 0.10 1.13 0.52 0.00 0.00 -1.81 0.17 103.07 103.17 1r6r h GLY 64 Ca 0.34 -0.22 0.11 0.00 0.00 0.00 0.00 47.33 47.56 1r6r h GLY 64 CO -0.58 0.04 0.60 -2.22 0.00 0.00 0.00 176.54 174.38 1r6r h ILE 65 N 0.60 0.94 0.11 2.60 1.08 -1.47 0.74 117.51 122.11 1r6r h ILE 65 Ca 0.37 -0.34 -0.17 0.00 -0.39 0.00 0.00 64.86 64.34 1r6r h ILE 65 Cb 0.43 -0.13 0.01 0.00 -3.07 0.00 0.00 36.82 34.06 1r6r h ILE 65 CO -0.29 0.18 -0.78 -0.07 -0.69 0.00 0.00 178.15 176.50 1r6r h LEU 66 N 0.99 0.35 -1.15 1.44 -0.00 -1.21 -0.33 115.31 115.39 1r6r h LEU 66 Ca 0.47 -0.93 -0.01 0.00 -0.00 0.00 0.00 57.88 57.41 1r6r h LEU 66 Cb 0.41 -0.11 -0.04 0.00 -0.00 0.00 0.00 40.66 40.92 1r6r h LEU 66 CO -0.25 1.36 0.44 0.11 -0.00 0.00 0.00 178.44 180.10 1r6r h LYS 67 N -0.50 1.03 0.00 1.13 1.79 -0.41 -1.47 116.57 118.13 1r6r h LYS 67 Ca -0.15 -0.09 -0.03 0.00 -2.18 0.00 0.00 60.65 58.19 1r6r h LYS 67 Cb 1.53 -0.21 -0.00 0.00 -1.58 0.00 0.00 32.23 31.96 1r6r h LYS 67 CO 0.09 0.73 -0.37 0.07 -1.08 0.00 0.00 179.45 178.89 1r6r h ARG 68 N 1.04 0.00 -1.10 3.15 0.11 0.40 -3.32 114.38 114.67 1r6r h ARG 68 Ca 0.27 0.00 0.30 0.00 0.10 0.00 0.00 59.98 60.65 1r6r h ARG 68 Cb -0.02 0.00 -0.08 0.00 1.11 0.00 0.00 29.97 30.98 1r6r h ARG 68 CO -0.05 0.12 0.74 2.35 0.10 0.00 0.00 179.97 183.24 1r6r h TRP 69 N 0.00 0.38 -0.46 4.08 -0.00 0.08 -0.18 115.95 119.85 1r6r h TRP 69 Ca -0.01 0.01 -0.30 0.00 -0.00 0.00 0.00 58.89 58.59 1r6r h TRP 69 Cb 1.12 -0.11 -0.20 0.00 -0.00 0.00 0.00 29.16 29.97 1r6r h TRP 69 CO 0.00 0.02 -0.30 0.41 -0.00 0.00 0.00 178.44 178.58 1r6r n GLY 70 N -1.60 5.50 0.06 2.65 0.00 -1.25 -4.54 105.19 106.02 1r6r n GLY 70 Ca 0.26 -1.77 0.00 0.00 0.00 0.00 0.00 46.02 44.50 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 -0.98 0.14 0.00 2.61 5.66 -0.08 -5.06 114.28 116.57 1r6r n THR 71 Ca 0.36 -0.15 0.00 0.00 -3.05 0.00 0.00 64.05 61.21 1r6r n THR 71 Cb 0.91 0.86 0.00 0.00 -1.55 0.00 0.00 70.33 70.55 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 -0.08 0.00 -0.01 1.09 -5.35 -1.21 -5.06 119.36 108.74 1r6r n ILE 72 Ca 0.00 0.00 -0.01 0.00 -0.27 0.00 0.00 62.75 62.48 1r6r n ILE 72 Cb 0.50 0.00 -0.01 0.00 -1.74 0.00 0.00 39.64 38.39 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 3.17 0.00 6.28 3.00 -1.26 -5.00 118.16 124.35 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 -2.13 0.00 -0.37 1.64 4.76 -1.26 -4.52 118.16 116.29 1r6r n LYS 74 Ca -0.02 0.00 0.03 0.00 -2.87 0.00 0.00 58.31 55.45 1r6r n LYS 74 Cb 0.54 -0.12 0.18 0.00 -1.84 0.00 0.00 35.03 33.78 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 1.04 0.02 4.39 0.87 -1.98 0.70 113.55 118.59 1r6r h SER 75 Ca 0.00 0.01 -0.16 0.00 -1.23 0.00 0.00 61.79 60.41 1r6r h SER 75 Cb 0.00 -0.21 0.01 0.00 -0.44 0.00 0.00 62.40 61.76 1r6r h SER 75 CO 0.00 0.66 -0.65 0.50 -0.53 0.00 0.00 176.83 176.81 1r6r h LYS 76 N 1.18 0.39 0.30 2.24 1.63 -1.99 -2.17 116.57 118.15 1r6r h LYS 76 Ca 0.43 -0.46 -0.01 0.00 -0.85 0.00 0.00 60.65 59.76 1r6r h LYS 76 Cb 0.17 0.14 0.00 0.00 -0.60 0.00 0.00 32.23 31.94 1r6r h LYS 76 CO -0.18 1.13 -0.14 0.00 -3.45 0.00 0.00 179.45 176.81 1r6r h ALA 77 N 0.28 -0.40 -0.71 5.00 0.00 -1.74 0.40 119.26 122.09 1r6r h ALA 77 Ca -0.09 -0.11 0.03 0.00 0.00 0.00 0.00 54.91 54.75 1r6r h ALA 77 Cb 1.38 0.15 -0.04 0.00 0.00 0.00 0.00 17.79 19.28 1r6r h ALA 77 CO 0.13 -0.70 0.44 0.82 0.00 0.00 0.00 179.25 179.94 1r6r h ILE 78 N -0.46 1.09 -0.44 0.00 2.04 0.27 0.35 117.51 120.37 1r6r h ILE 78 Ca -0.04 -0.29 -0.06 0.00 1.00 0.00 0.00 64.86 65.46 1r6r h ILE 78 Cb 0.35 0.16 -0.02 0.00 -0.74 0.00 0.00 36.82 36.56 1r6r h ILE 78 CO 0.07 0.16 0.02 0.78 0.00 0.00 0.00 178.15 179.17 1r6r h ASN 79 N 0.86 0.67 0.09 1.72 2.35 -1.14 -0.46 115.58 119.67 1r6r h ASN 79 Ca 0.29 -0.14 -0.00 0.00 -0.55 0.00 0.00 56.30 55.89 1r6r h ASN 79 Cb 0.03 -0.18 0.00 0.00 0.05 0.00 0.00 38.32 38.22 1r6r h ASN 79 CO -0.11 0.73 -0.04 0.58 -1.65 0.00 0.00 177.43 176.93 1r6r h VAL 80 N 0.67 1.05 -0.75 2.81 2.07 0.14 0.68 116.25 122.92 1r6r h VAL 80 Ca 0.14 -0.54 0.06 0.00 0.82 0.00 0.00 66.70 67.18 1r6r h VAL 80 Cb 0.39 1.40 -0.05 0.00 -1.52 0.00 0.00 31.29 31.51 1r6r h VAL 80 CO 0.01 0.13 0.49 -0.07 0.02 0.00 0.00 177.57 178.16 1r6r h LEU 81 N -0.37 0.70 -0.50 2.57 4.07 -0.09 0.41 115.31 122.09 1r6r h LEU 81 Ca -0.01 0.00 -0.11 0.00 0.08 0.00 0.00 57.88 57.84 1r6r h LEU 81 Cb 0.31 -0.15 -0.02 0.00 1.08 0.00 0.00 40.66 41.89 1r6r h LEU 81 CO 0.02 0.45 -0.10 -0.09 -1.08 0.00 0.00 178.44 177.64 1r6r h ARG 82 N 0.80 0.96 -0.55 1.13 9.65 -0.78 -1.90 114.38 123.69 1r6r h ARG 82 Ca 0.32 -0.36 -0.07 0.00 -1.10 0.00 0.00 59.98 58.77 1r6r h ARG 82 Cb 0.24 -0.06 -0.02 0.00 -1.39 0.00 0.00 29.97 28.74 1r6r h ARG 82 CO -0.11 1.02 0.04 0.78 2.80 0.00 0.00 179.97 184.51 1r6r h GLY 83 N 0.82 0.97 1.21 2.80 0.00 0.11 -1.99 103.07 106.99 1r6r h GLY 83 Ca 0.13 -0.64 0.00 0.00 0.00 0.00 0.00 47.33 46.82 1r6r h GLY 83 CO 0.05 0.60 0.51 0.74 0.00 0.00 0.00 176.54 178.44 1r6r h PHE 84 N 0.85 1.01 -0.27 5.60 0.04 0.11 0.20 116.94 124.48 1r6r h PHE 84 Ca 0.17 0.02 -0.01 0.00 2.80 0.00 0.00 57.97 60.95 1r6r h PHE 84 Cb 0.44 -0.34 -0.01 0.00 2.20 0.00 0.00 35.95 38.24 1r6r h PHE 84 CO 0.03 0.64 0.14 -0.09 -0.60 0.00 0.00 178.31 178.44 1r6r h ARG 85 N 1.08 0.37 -0.03 1.51 1.12 -0.62 0.39 114.38 118.20 1r6r h ARG 85 Ca 0.29 -0.04 -0.07 0.00 -1.11 0.00 0.00 59.98 59.05 1r6r h ARG 85 Cb -0.10 -0.07 -0.01 0.00 -0.01 0.00 0.00 29.97 29.77 1r6r h ARG 85 CO -0.06 0.33 -0.31 0.87 -3.11 0.00 0.00 179.97 177.69 1r6r h LYS 86 N 0.32 0.05 -0.19 0.20 6.56 -0.91 0.15 116.57 122.74 1r6r h LYS 86 Ca 0.09 -0.02 -0.21 0.00 -1.06 0.00 0.00 60.65 59.46 1r6r h LYS 86 Cb 0.07 -0.00 0.01 0.00 -0.57 0.00 0.00 32.23 31.73 1r6r h LYS 86 CO -0.01 0.36 -0.69 0.93 -2.06 0.00 0.00 179.45 177.97 1r6r h GLU 87 N 0.04 0.78 -0.24 3.15 5.08 0.24 -1.81 114.58 121.83 1r6r h GLU 87 Ca 0.00 -0.58 -0.18 0.00 -1.00 0.00 0.00 59.36 57.60 1r6r h GLU 87 Cb 0.58 0.10 -0.00 0.00 0.50 0.00 0.00 28.75 29.93 1r6r h GLU 87 CO 0.04 1.20 -0.56 0.97 -1.00 0.00 0.00 179.01 179.66 1r6r h ILE 88 N 0.56 1.30 -0.34 3.13 2.10 0.12 -1.64 117.51 122.74 1r6r h ILE 88 Ca -0.03 -1.78 -0.05 0.00 1.08 0.00 0.00 64.86 64.09 1r6r h ILE 88 Cb 1.30 1.71 -0.02 0.00 -1.09 0.00 0.00 36.82 38.73 1r6r h ILE 88 CO 0.14 0.57 0.01 1.23 -1.08 0.00 0.00 178.15 179.02 1r6r h GLY 89 N 0.86 0.56 1.45 8.18 0.00 -0.95 -1.56 103.07 111.62 1r6r h GLY 89 Ca 0.01 -0.32 -0.14 0.00 0.00 0.00 0.00 47.33 46.87 1r6r h GLY 89 CO 0.12 0.30 -0.43 3.21 0.00 0.00 0.00 176.54 179.73 1r6r h ARG 90 N 0.51 0.60 -0.85 4.80 3.08 -1.05 -2.14 114.38 119.33 1r6r h ARG 90 Ca 0.11 -0.32 0.03 0.00 0.07 0.00 0.00 59.98 59.87 1r6r h ARG 90 Cb 0.31 0.01 -0.05 0.00 0.08 0.00 0.00 29.97 30.32 1r6r h ARG 90 CO 0.01 0.92 0.56 1.98 -1.07 0.00 0.00 179.97 182.37 1r6r h MET 91 N 0.49 1.05 -0.52 0.04 4.05 -0.32 -0.04 114.93 119.68 1r6r h MET 91 Ca 0.04 -0.06 -0.09 0.00 -0.28 0.00 0.00 59.70 59.30 1r6r h MET 91 Cb 0.95 -0.24 -0.02 0.00 -0.80 0.00 0.00 31.60 31.50 1r6r h MET 91 CO 0.09 0.70 -0.04 -0.07 0.23 0.00 0.00 176.91 177.81 1r6r h LEU 92 N 1.08 0.93 -2.05 3.39 3.38 -1.12 -0.27 115.31 120.66 1r6r h LEU 92 Ca 0.33 -0.33 0.11 0.00 0.09 0.00 0.00 57.88 58.09 1r6r h LEU 92 Cb -0.01 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.48 1r6r h LEU 92 CO -0.09 1.03 0.37 -1.13 0.09 0.00 0.00 178.44 178.71 1r6r h ASN 93 N 0.80 0.00 0.22 -0.43 -0.73 -0.37 0.52 115.58 115.59 1r6r h ASN 93 Ca 0.14 0.00 -0.35 0.00 1.87 0.00 0.00 56.30 57.96 1r6r h ASN 93 Cb 0.58 0.00 0.01 0.00 0.27 0.00 0.00 38.32 39.18 1r6r h ASN 93 CO 0.03 0.00 -1.69 0.40 -0.37 0.00 0.00 177.43 175.80 1r6r h ILE 94 N 0.00 1.01 -0.49 2.57 2.04 -0.24 -3.31 117.51 119.09 1r6r h ILE 94 Ca 0.18 -2.57 0.00 0.00 1.00 0.00 0.00 64.86 63.48 1r6r h ILE 94 Cb 0.92 2.82 0.00 0.00 -0.74 0.00 0.00 36.82 39.82 1r6r h ILE 94 CO -0.00 0.85 0.00 0.00 0.00 0.00 0.00 178.15 179.00 1r6r n LEU 95 N -3.61 3.74 -0.00 1.44 -0.00 0.17 -3.92 117.00 114.82 1r6r n LEU 95 Ca -0.23 -1.89 0.03 0.00 -0.00 0.00 0.00 56.01 53.92 1r6r n LEU 95 Cb 1.08 -0.51 -0.04 0.00 -0.00 0.00 0.00 43.42 43.96 1r6r n LEU 95 CO 0.53 0.63 -0.15 0.59 -0.00 0.00 0.00 177.39 179.00 1r6r n ASN 96 N 0.79 1.05 -2.36 1.45 5.03 0.16 -4.67 115.26 116.70 1r6r n ASN 96 Ca 0.20 -0.50 -0.23 0.00 0.87 0.00 0.00 54.58 54.92 1r6r n ASN 96 Cb 0.71 1.07 -0.08 0.00 -1.02 0.00 0.00 39.78 40.46 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 -1.28 2.29 -0.02 3.52 0.63 -1.25 -4.07 116.66 116.49 1r6r n ARG 97 Ca 0.01 -2.01 -0.00 0.00 -0.92 0.00 0.00 57.85 54.92 1r6r n ARG 97 Cb 0.11 -2.10 -0.05 0.00 0.45 0.00 0.00 32.46 30.88 1r6r n ARG 97 CO 0.00 0.00 0.00 2.89 -2.51 0.00 0.00 177.63 178.01 1r6r n ARG 98 N 1.24 1.85 -1.57 -0.14 1.85 -1.26 -5.00 116.66 113.62 1r6r n ARG 98 Ca 0.47 -0.03 -0.20 0.00 -1.00 0.00 0.00 57.85 57.10 1r6r n ARG 98 Cb 0.64 -1.15 -0.08 0.00 -1.05 0.00 0.00 32.46 30.81 1r6r n ARG 98 CO 0.00 0.00 0.00 -2.13 -0.01 0.00 0.00 177.63 175.49 1r6r n ARG 99 N -2.00 -1.43 0.00 2.89 0.63 -1.26 -5.26 116.66 110.23 1r6r n ARG 99 Ca -0.06 1.16 0.01 0.00 -0.92 0.00 0.00 57.85 58.04 1r6r n ARG 99 Cb 0.46 -5.52 0.01 0.00 0.45 0.00 0.00 32.46 27.86 1r6r n ARG 99 CO 0.00 0.00 0.00 -2.13 -2.51 0.00 0.00 177.63 172.99