#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 -6.73 0.00 1.20 1.74 -1.26 -4.73 116.66 106.88 1r6r n ARG 22 Ca 0.00 0.76 0.00 0.00 -0.77 0.00 0.00 57.85 57.84 1r6r n ARG 22 Cb 0.00 -5.70 0.00 0.00 -1.02 0.00 0.00 32.46 25.74 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 -4.63 0.00 0.62 1.55 3.14 -1.26 0.25 118.33 118.00 1r6r n VAL 23 Ca -0.10 0.00 0.03 0.00 -2.96 0.00 0.00 64.34 61.31 1r6r n VAL 23 Cb 0.60 0.00 0.12 0.00 -1.06 0.00 0.00 33.84 33.50 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 -0.05 2.18 -0.05 6.55 7.64 -1.26 -3.87 113.62 124.76 1r6r n SER 24 Ca 0.00 -2.22 -0.19 0.00 1.01 0.00 0.00 58.87 57.47 1r6r n SER 24 Cb 0.00 -0.45 -0.13 0.00 -1.01 0.00 0.00 64.21 62.61 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 0.20 1.66 0.58 0.44 -1.04 -1.26 -4.09 114.28 110.77 1r6r n THR 25 Ca 0.09 -0.63 0.09 0.00 -2.04 0.00 0.00 64.05 61.55 1r6r n THR 25 Cb 0.46 -1.56 0.39 0.00 -1.82 0.00 0.00 70.33 67.80 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 -3.37 0.78 -0.22 12.58 3.14 -1.25 -3.22 118.33 126.76 1r6r n VAL 26 Ca -0.37 0.18 0.03 0.00 -2.96 0.00 0.00 64.34 61.22 1r6r n VAL 26 Cb 1.03 -0.91 0.27 0.00 -1.06 0.00 0.00 33.84 33.17 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 -0.40 1.45 1.08 -1.76 -2.41 115.11 113.98 1r6r h GLN 27 Ca 0.00 -0.06 0.08 0.00 -1.45 0.00 0.00 58.65 57.23 1r6r h GLN 27 Cb 0.33 -0.21 -0.08 0.00 -0.05 0.00 0.00 27.48 27.47 1r6r h GLN 27 CO 0.00 0.61 -0.11 -0.56 -0.95 0.00 0.00 178.83 177.82 1r6r h GLN 28 N 0.95 -0.02 -0.03 1.46 -0.00 -1.81 -1.34 115.11 114.32 1r6r h GLN 28 Ca 0.31 0.00 -0.19 0.00 -0.00 0.00 0.00 58.65 58.77 1r6r h GLN 28 Cb 0.05 0.00 -0.01 0.00 -0.00 0.00 0.00 27.48 27.53 1r6r h GLN 28 CO -0.09 -0.01 -0.80 1.37 -0.00 0.00 0.00 178.83 179.30 1r6r h LEU 29 N -0.02 0.38 -2.11 0.06 8.10 -1.77 -1.28 115.31 118.68 1r6r h LEU 29 Ca 0.20 -0.27 0.08 0.00 0.11 0.00 0.00 57.88 58.00 1r6r h LEU 29 Cb 0.31 -0.11 -0.01 0.00 -0.44 0.00 0.00 40.66 40.41 1r6r h LEU 29 CO -0.42 1.03 0.26 0.74 -4.11 0.00 0.00 178.44 175.94 1r6r h THR 30 N 0.19 0.58 0.00 0.15 2.02 -0.80 0.42 112.91 115.47 1r6r h THR 30 Ca -0.04 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.12 1r6r h THR 30 Cb 1.39 0.80 -0.00 0.00 -1.74 0.00 0.00 68.15 68.59 1r6r h THR 30 CO 0.13 0.00 -1.92 2.29 0.37 0.00 0.00 175.52 176.39 1r6r n LYS 31 N -4.02 0.62 -0.24 6.66 2.85 -0.60 -4.20 118.16 119.22 1r6r n LYS 31 Ca 0.04 -0.17 0.11 0.00 -1.05 0.00 0.00 58.31 57.24 1r6r n LYS 31 Cb 0.42 -1.47 0.24 0.00 -0.65 0.00 0.00 35.03 33.57 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 -2.21 2.54 0.00 -1.58 0.63 -0.42 -4.29 116.66 111.32 1r6r n ARG 32 Ca -0.05 -2.35 0.00 0.00 -0.92 0.00 0.00 57.85 54.53 1r6r n ARG 32 Cb 0.55 -1.50 0.00 0.00 0.45 0.00 0.00 32.46 31.96 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 1.42 0.00 0.67 -0.14 -1.74 0.14 -4.61 117.46 113.19 1r6r n PHE 33 Ca 0.20 0.00 0.12 0.00 -0.56 0.00 0.00 57.45 57.21 1r6r n PHE 33 Cb 0.58 0.00 0.21 0.00 1.52 0.00 0.00 39.48 41.79 1r6r n PHE 33 CO 0.00 0.00 0.00 -1.13 -0.56 0.00 0.00 176.76 175.07 1r6r n SER 34 N -0.39 3.08 -2.17 5.98 3.41 -1.26 -3.37 113.62 118.90 1r6r n SER 34 Ca 0.00 -1.95 -0.30 0.00 -0.26 0.00 0.00 58.87 56.36 1r6r n SER 34 Cb 0.01 -0.15 0.07 0.00 -0.26 0.00 0.00 64.21 63.88 1r6r n SER 34 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1r6r n LEU 35 N 1.29 6.56 0.00 1.04 4.77 -1.26 -4.57 117.00 124.83 1r6r n LEU 35 Ca 0.17 -4.41 0.00 0.00 -0.03 0.00 0.00 56.01 51.74 1r6r n LEU 35 Cb 0.57 -0.74 0.00 0.00 -2.33 0.00 0.00 43.42 40.93 1r6r n LEU 35 CO 0.15 1.68 0.00 0.61 -1.33 0.00 0.00 177.39 178.50 1r6r n GLY 36 N -0.86 0.08 0.25 -0.72 0.00 -1.26 -4.95 105.19 97.72 1r6r n GLY 36 Ca 0.55 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.60 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 1.31 0.32 1.61 0.00 -1.22 -3.49 117.12 115.66 1r6r n MET 37 Ca 0.00 -0.49 0.19 0.00 0.00 0.00 0.00 57.70 57.41 1r6r n MET 37 Cb 0.00 -1.12 1.03 0.00 0.00 0.00 0.00 33.22 33.14 1r6r n MET 37 CO 0.00 0.00 0.00 1.37 0.00 0.00 0.00 175.97 177.34 1r6r h LEU 38 N 0.80 0.00 -2.85 -0.89 -0.00 -1.84 -0.72 115.31 109.81 1r6r h LEU 38 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.88 1r6r h LEU 38 Cb 0.18 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 40.84 1r6r h LEU 38 CO 0.00 0.00 -0.00 1.67 -0.00 0.00 0.00 178.44 180.11 1r6r n GLN 39 N -3.14 2.62 0.00 0.17 7.27 -1.26 -4.95 117.38 118.09 1r6r n GLN 39 Ca -0.02 -1.52 0.00 0.00 0.07 0.00 0.00 57.00 55.53 1r6r n GLN 39 Cb 0.20 -1.00 0.00 0.00 2.41 0.00 0.00 30.24 31.85 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 -0.54 0.39 6.75 1.69 0.00 -0.28 -4.94 105.19 108.26 1r6r n GLY 40 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.03 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 -1.60 0.00 0.03 1.61 3.00 -1.23 -4.57 116.66 113.90 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 -1.67 0.11 5.14 0.00 -1.26 -4.99 105.19 102.52 1r6r n GLY 42 Ca 0.00 0.61 -0.21 0.00 0.00 0.00 0.00 46.02 46.42 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 0.15 -1.26 1.61 0.13 -2.01 -3.48 132.00 127.14 1r6r h PRO 43 Ca 0.00 -0.25 -0.35 0.00 -0.87 0.00 0.00 66.00 64.53 1r6r h PRO 43 Cb 0.00 0.09 -0.13 0.00 0.13 0.00 0.00 31.00 31.09 1r6r h PRO 43 CO 0.00 1.12 -0.32 -0.11 -0.23 0.00 0.00 178.00 178.46 1r6r n LEU 44 N -4.10 -1.24 0.00 1.56 0.00 -1.26 -4.79 117.00 107.17 1r6r n LEU 44 Ca -0.26 0.41 -0.06 0.00 0.00 0.00 0.00 56.01 56.09 1r6r n LEU 44 Cb 0.81 -2.42 -0.12 0.00 0.00 0.00 0.00 43.42 41.68 1r6r n LEU 44 CO 0.34 -0.87 -0.36 0.07 0.00 0.00 0.00 177.39 176.58 1r6r h LYS 45 N 0.00 0.00 -0.53 1.96 2.10 -1.92 -3.39 116.57 114.79 1r6r h LYS 45 Ca -0.35 0.00 0.16 0.00 -2.00 0.00 0.00 60.65 58.46 1r6r h LYS 45 Cb 1.11 0.00 -0.10 0.00 -0.90 0.00 0.00 32.23 32.34 1r6r h LYS 45 CO 0.51 0.53 0.05 -0.11 -2.00 0.00 0.00 179.45 178.42 1r6r n LEU 46 N -3.07 -0.03 0.10 7.07 -0.00 -1.26 0.49 117.00 120.30 1r6r n LEU 46 Ca -0.13 0.90 -0.11 0.00 -0.00 0.00 0.00 56.01 56.67 1r6r n LEU 46 Cb 0.99 -0.34 -0.07 0.00 -0.00 0.00 0.00 43.42 43.99 1r6r n LEU 46 CO 0.45 -0.93 0.43 0.15 -0.00 0.00 0.00 177.39 177.50 1r6r h PHE 47 N 0.00 -0.29 -0.49 1.96 3.57 -1.99 -2.58 116.94 117.12 1r6r h PHE 47 Ca 0.34 -0.01 0.05 0.00 3.53 0.00 0.00 57.97 61.88 1r6r h PHE 47 Cb 0.74 0.10 -0.04 0.00 2.79 0.00 0.00 35.95 39.53 1r6r h PHE 47 CO -0.23 0.09 0.24 0.52 -2.23 0.00 0.00 178.31 176.70 1r6r h MET 48 N -0.85 0.45 -0.77 1.11 2.86 -0.20 -0.47 114.93 117.07 1r6r h MET 48 Ca -0.03 -0.03 0.11 0.00 -2.06 0.00 0.00 59.70 57.69 1r6r h MET 48 Cb 0.51 -0.10 -0.08 0.00 0.06 0.00 0.00 31.60 31.99 1r6r h MET 48 CO 0.05 0.30 0.39 0.00 1.06 0.00 0.00 176.91 178.71 1r6r h ALA 49 N 1.27 1.10 0.20 6.32 0.00 -0.03 0.48 119.26 128.61 1r6r h ALA 49 Ca 0.22 0.06 -0.01 0.00 0.00 0.00 0.00 54.91 55.18 1r6r h ALA 49 Cb 0.14 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.89 1r6r h ALA 49 CO -0.16 -0.05 -0.10 1.25 0.00 0.00 0.00 179.25 180.19 1r6r h LEU 50 N 0.62 -0.22 -0.73 0.00 5.85 -0.94 -2.28 115.31 117.61 1r6r h LEU 50 Ca 0.39 -0.29 -0.00 0.00 0.84 0.00 0.00 57.88 58.82 1r6r h LEU 50 Cb 0.47 0.06 -0.04 0.00 0.37 0.00 0.00 40.66 41.52 1r6r h LEU 50 CO -0.30 0.31 0.45 0.58 -0.34 0.00 0.00 178.44 179.13 1r6r h VAL 51 N -0.90 1.20 -0.44 1.05 2.07 -0.96 -2.47 116.25 115.81 1r6r h VAL 51 Ca -0.03 -0.44 -0.00 0.00 0.82 0.00 0.00 66.70 67.05 1r6r h VAL 51 Cb 0.50 0.18 -0.02 0.00 -1.52 0.00 0.00 31.29 30.43 1r6r h VAL 51 CO 0.04 0.21 0.26 0.00 0.02 0.00 0.00 177.57 178.11 1r6r h ALA 52 N 1.24 0.56 -0.06 1.67 0.00 -0.12 0.39 119.26 122.93 1r6r h ALA 52 Ca 0.26 -0.06 0.04 0.00 0.00 0.00 0.00 54.91 55.15 1r6r h ALA 52 Cb -0.05 -0.18 -0.06 0.00 0.00 0.00 0.00 17.79 17.51 1r6r h ALA 52 CO -0.05 0.05 -0.35 0.35 0.00 0.00 0.00 179.25 179.25 1r6r h PHE 53 N 0.58 -0.97 -0.75 0.00 3.57 -1.04 0.39 116.94 118.72 1r6r h PHE 53 Ca 0.16 0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.70 1r6r h PHE 53 Cb -0.00 0.44 -0.04 0.00 2.79 0.00 0.00 35.95 39.14 1r6r h PHE 53 CO -0.03 -0.43 0.48 -0.07 -2.23 0.00 0.00 178.31 176.03 1r6r h LEU 54 N -0.47 0.87 -0.31 0.59 3.38 -1.19 0.15 115.31 118.33 1r6r h LEU 54 Ca 0.07 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.01 1r6r h LEU 54 Cb 0.58 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 41.11 1r6r h LEU 54 CO -0.32 0.64 0.00 -1.14 0.09 0.00 0.00 178.44 177.71 1r6r n ARG 55 N -4.41 0.06 -0.01 1.13 0.00 0.13 0.11 116.66 113.67 1r6r n ARG 55 Ca 0.08 0.38 0.07 0.00 -0.00 0.00 0.00 57.85 58.38 1r6r n ARG 55 Cb 0.04 -1.64 -0.15 0.00 0.00 0.00 0.00 32.46 30.72 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 -1.76 0.15 -0.09 -0.14 3.01 0.11 -4.16 117.46 114.57 1r6r n PHE 56 Ca 0.02 0.05 -0.13 0.00 1.01 0.00 0.00 57.45 58.40 1r6r n PHE 56 Cb 0.14 -0.66 -0.09 0.00 -0.01 0.00 0.00 39.48 38.86 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 -2.41 2.71 0.00 4.37 4.77 -0.85 -4.89 117.00 120.71 1r6r n LEU 57 Ca -0.08 -0.09 0.00 0.00 -0.03 0.00 0.00 56.01 55.80 1r6r n LEU 57 Cb 0.67 -0.58 0.00 0.00 -2.33 0.00 0.00 43.42 41.18 1r6r n LEU 57 CO 0.45 0.79 0.00 0.41 -1.33 0.00 0.00 177.39 177.70 1r6r n THR 58 N -3.02 0.00 -3.45 -5.08 -1.04 0.23 -5.07 114.28 96.85 1r6r n THR 58 Ca -0.33 0.00 -0.19 0.00 -2.04 0.00 0.00 64.05 61.48 1r6r n THR 58 Cb 0.88 0.77 0.03 0.00 -1.82 0.00 0.00 70.33 70.19 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 -7.31 -2.71 12.58 -0.00 0.29 -4.92 119.36 117.29 1r6r n ILE 59 Ca 0.00 -0.72 -0.38 0.00 -0.00 0.00 0.00 62.75 61.65 1r6r n ILE 59 Cb 0.02 -5.26 0.01 0.00 -0.00 0.00 0.00 39.64 34.40 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 -3.15 4.92 -2.18 0.38 -0.04 -1.26 -4.94 135.00 128.74 1r6r n PRO 60 Ca -0.10 -4.72 -0.41 0.00 -0.04 0.00 0.00 63.50 58.24 1r6r n PRO 60 Cb 0.59 -2.41 -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 -4.13 3.07 1.25 0.54 0.04 -1.26 -4.98 135.00 129.53 1r6r s PRO 61 Ca 0.41 0.73 -0.17 0.00 0.04 0.00 0.00 61.00 62.01 1r6r s PRO 61 Cb 0.21 -4.23 0.28 0.00 0.04 0.00 0.00 34.50 30.80 1r6r s PRO 61 CO -0.13 -2.20 0.73 -2.37 0.04 0.00 0.00 177.00 173.07 1r6r n THR 62 N 7.11 0.00 0.17 1.26 5.66 -1.26 -4.74 114.28 122.48 1r6r n THR 62 Ca 0.18 -0.30 0.18 0.00 -3.05 0.00 0.00 64.05 61.06 1r6r n THR 62 Cb 0.50 -0.88 0.80 0.00 -1.55 0.00 0.00 70.33 69.19 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 -2.88 1.90 -0.04 1.79 0.00 -0.51 -2.16 119.26 117.36 1r6r h ALA 63 Ca -0.53 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.35 1r6r h ALA 63 Cb 1.30 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.11 1r6r h ALA 63 CO 0.39 -0.43 -0.08 0.78 0.00 0.00 0.00 179.25 179.91 1r6r h GLY 64 N 0.00 0.14 -0.01 0.00 0.00 -1.81 -1.64 103.07 99.75 1r6r h GLY 64 Ca 0.12 -0.16 0.21 0.00 0.00 0.00 0.00 47.33 47.51 1r6r h GLY 64 CO -0.00 0.15 0.59 -2.22 0.00 0.00 0.00 176.54 175.05 1r6r h ILE 65 N -0.38 0.62 0.00 2.60 1.08 -1.68 0.73 117.51 120.48 1r6r h ILE 65 Ca 0.00 -0.23 -0.00 0.00 -0.39 0.00 0.00 64.86 64.24 1r6r h ILE 65 Cb 0.64 -0.10 0.00 0.00 -3.07 0.00 0.00 36.82 34.29 1r6r h ILE 65 CO 0.02 0.12 -0.00 -0.07 -0.69 0.00 0.00 178.15 177.53 1r6r h LEU 66 N 0.66 -0.00 -1.47 1.44 -0.00 -1.58 -0.33 115.31 114.03 1r6r h LEU 66 Ca 0.61 -0.61 0.10 0.00 -0.00 0.00 0.00 57.88 57.98 1r6r h LEU 66 Cb 1.04 0.00 -0.05 0.00 -0.00 0.00 0.00 40.66 41.66 1r6r h LEU 66 CO -0.43 0.80 0.48 0.11 -0.00 0.00 0.00 178.44 179.40 1r6r h LYS 67 N -1.00 0.56 0.00 1.13 1.79 -0.93 0.60 116.57 118.72 1r6r h LYS 67 Ca -0.00 -0.03 -0.08 0.00 -2.18 0.00 0.00 60.65 58.35 1r6r h LYS 67 Cb 0.61 -0.13 -0.01 0.00 -1.58 0.00 0.00 32.23 31.12 1r6r h LYS 67 CO 0.00 0.37 -0.70 0.07 -1.08 0.00 0.00 179.45 178.11 1r6r h ARG 68 N 0.58 0.00 -0.92 3.15 0.11 0.36 -3.32 114.38 114.34 1r6r h ARG 68 Ca 0.34 0.00 0.18 0.00 0.10 0.00 0.00 59.98 60.60 1r6r h ARG 68 Cb 0.54 0.00 -0.08 0.00 1.11 0.00 0.00 29.97 31.54 1r6r h ARG 68 CO -0.12 0.27 0.59 2.35 0.10 0.00 0.00 179.97 183.17 1r6r h TRP 69 N 0.00 0.73 -1.42 4.08 -0.00 0.97 -2.16 115.95 118.15 1r6r h TRP 69 Ca -0.04 0.02 -0.65 0.00 -0.00 0.00 0.00 58.89 58.22 1r6r h TRP 69 Cb 1.30 -0.22 -0.36 0.00 -0.00 0.00 0.00 29.16 29.87 1r6r h TRP 69 CO 0.00 0.21 0.05 0.41 -0.00 0.00 0.00 178.44 179.11 1r6r n GLY 70 N -1.45 5.92 0.76 2.65 0.00 -1.21 -4.52 105.19 107.34 1r6r n GLY 70 Ca 0.20 -2.59 -0.04 0.00 0.00 0.00 0.00 46.02 43.59 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 -0.62 0.00 0.00 2.61 5.66 -0.81 -5.10 114.28 116.02 1r6r n THR 71 Ca 0.48 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.48 1r6r n THR 71 Cb 0.59 0.29 0.00 0.00 -1.55 0.00 0.00 70.33 69.66 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 -0.02 1.09 -5.35 -1.22 -5.02 119.36 108.85 1r6r n ILE 72 Ca -0.16 0.00 -0.02 0.00 -0.27 0.00 0.00 62.75 62.30 1r6r n ILE 72 Cb 0.54 0.00 -0.02 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 1.58 0.00 6.28 3.00 -1.26 -5.00 118.16 122.76 1r6r n LYS 73 Ca 0.00 0.01 0.00 0.00 -0.00 0.00 0.00 58.31 58.32 1r6r n LYS 73 Cb 0.00 -1.08 0.00 0.00 0.00 0.00 0.00 35.03 33.95 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 -2.40 0.00 -0.35 1.64 4.76 -1.26 -4.50 118.16 116.05 1r6r n LYS 74 Ca -0.06 0.00 -0.03 0.00 -2.87 0.00 0.00 58.31 55.35 1r6r n LYS 74 Cb 0.58 -0.07 0.10 0.00 -1.84 0.00 0.00 35.03 33.80 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 1.12 0.11 4.39 4.64 -1.98 0.47 113.55 122.30 1r6r h SER 75 Ca 0.00 -0.06 -0.24 0.00 -0.47 0.00 0.00 61.79 61.02 1r6r h SER 75 Cb 0.00 -0.28 0.02 0.00 -0.31 0.00 0.00 62.40 61.83 1r6r h SER 75 CO 0.00 0.85 -1.01 0.50 -0.87 0.00 0.00 176.83 176.30 1r6r h LYS 76 N 1.29 0.49 0.45 4.77 1.63 -1.98 -2.04 116.57 121.18 1r6r h LYS 76 Ca 0.34 -0.67 -0.02 0.00 -0.85 0.00 0.00 60.65 59.44 1r6r h LYS 76 Cb -0.08 0.23 0.00 0.00 -0.60 0.00 0.00 32.23 31.78 1r6r h LYS 76 CO -0.07 1.29 -0.22 0.00 -3.45 0.00 0.00 179.45 177.01 1r6r h ALA 77 N 0.23 -0.60 -0.69 5.00 0.00 -1.82 0.29 119.26 121.66 1r6r h ALA 77 Ca -0.16 -0.16 0.01 0.00 0.00 0.00 0.00 54.91 54.61 1r6r h ALA 77 Cb 1.73 0.23 -0.04 0.00 0.00 0.00 0.00 17.79 19.72 1r6r h ALA 77 CO 0.19 -0.79 0.46 0.82 0.00 0.00 0.00 179.25 179.93 1r6r h ILE 78 N -0.70 1.16 -0.73 0.00 2.04 -0.18 0.10 117.51 119.20 1r6r h ILE 78 Ca -0.06 -0.32 -0.02 0.00 1.00 0.00 0.00 64.86 65.46 1r6r h ILE 78 Cb 0.51 0.16 -0.03 0.00 -0.74 0.00 0.00 36.82 36.72 1r6r h ILE 78 CO 0.10 0.17 0.37 0.78 0.00 0.00 0.00 178.15 179.57 1r6r h ASN 79 N 0.93 0.92 0.47 1.72 -0.26 -1.20 -1.08 115.58 117.07 1r6r h ASN 79 Ca 0.26 -0.09 -0.02 0.00 -0.56 0.00 0.00 56.30 55.89 1r6r h ASN 79 Cb -0.09 -0.24 0.00 0.00 -1.06 0.00 0.00 38.32 36.94 1r6r h ASN 79 CO -0.06 0.77 -0.23 0.58 -1.06 0.00 0.00 177.43 177.43 1r6r h VAL 80 N 1.03 0.51 -0.66 2.81 2.07 0.72 -1.39 116.25 121.34 1r6r h VAL 80 Ca 0.25 -0.27 0.19 0.00 0.82 0.00 0.00 66.70 67.70 1r6r h VAL 80 Cb 0.07 0.63 -0.03 0.00 -1.52 0.00 0.00 31.29 30.44 1r6r h VAL 80 CO -0.04 0.05 0.48 -0.07 0.02 0.00 0.00 177.57 178.01 1r6r h LEU 81 N -0.80 0.00 0.05 2.57 4.07 -0.55 0.51 115.31 121.16 1r6r h LEU 81 Ca -0.06 0.00 -0.00 0.00 0.08 0.00 0.00 57.88 57.89 1r6r h LEU 81 Cb 0.56 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.30 1r6r h LEU 81 CO 0.11 0.00 -0.02 -0.09 -1.08 0.00 0.00 178.44 177.35 1r6r h ARG 82 N 0.00 -0.06 0.00 1.13 9.65 -0.70 -2.06 114.38 122.34 1r6r h ARG 82 Ca 0.31 0.00 -0.03 0.00 -1.10 0.00 0.00 59.98 59.17 1r6r h ARG 82 Cb 1.27 0.01 -0.00 0.00 -1.39 0.00 0.00 29.97 29.86 1r6r h ARG 82 CO -0.00 0.40 -0.14 0.78 2.80 0.00 0.00 179.97 183.80 1r6r h GLY 83 N -0.55 0.00 1.02 2.80 0.00 0.08 -1.53 103.07 104.88 1r6r h GLY 83 Ca -0.01 0.00 -0.06 0.00 0.00 0.00 0.00 47.33 47.27 1r6r h GLY 83 CO 0.01 0.00 0.16 0.74 0.00 0.00 0.00 176.54 177.45 1r6r h PHE 84 N 0.00 1.01 -0.19 5.60 -1.00 0.18 0.43 116.94 122.97 1r6r h PHE 84 Ca -0.00 -0.12 -0.09 0.00 2.81 0.00 0.00 57.97 60.57 1r6r h PHE 84 Cb 0.30 -0.29 -0.01 0.00 3.61 0.00 0.00 35.95 39.56 1r6r h PHE 84 CO 0.00 0.85 -0.28 -0.09 -1.61 0.00 0.00 178.31 177.18 1r6r h ARG 85 N 0.88 0.37 -0.01 1.51 1.12 -0.58 -1.17 114.38 116.50 1r6r h ARG 85 Ca 0.19 -0.14 -0.22 0.00 -1.11 0.00 0.00 59.98 58.70 1r6r h ARG 85 Cb 0.34 -0.02 -0.00 0.00 -0.01 0.00 0.00 29.97 30.28 1r6r h ARG 85 CO 0.00 0.63 -0.90 -0.22 -3.11 0.00 0.00 179.97 176.36 1r6r h LYS 86 N 0.33 0.38 -0.37 0.20 1.63 -0.80 -2.25 116.57 115.68 1r6r h LYS 86 Ca 0.05 -0.40 -0.11 0.00 -0.85 0.00 0.00 60.65 59.33 1r6r h LYS 86 Cb 0.67 0.11 -0.01 0.00 -0.60 0.00 0.00 32.23 32.40 1r6r h LYS 86 CO 0.05 1.07 -0.23 0.93 -3.45 0.00 0.00 179.45 177.82 1r6r h GLU 87 N 0.22 0.74 -0.38 1.90 5.08 0.15 -1.79 114.58 120.51 1r6r h GLU 87 Ca -0.07 -0.30 -0.16 0.00 -1.00 0.00 0.00 59.36 57.83 1r6r h GLU 87 Cb 1.53 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 30.74 1r6r h GLU 87 CO 0.15 0.90 -0.39 0.97 -1.00 0.00 0.00 179.01 179.65 1r6r h ILE 88 N 0.65 1.27 -0.35 3.13 6.09 -1.20 -1.76 117.51 125.34 1r6r h ILE 88 Ca 0.09 -1.57 -0.01 0.00 -1.37 0.00 0.00 64.86 62.00 1r6r h ILE 88 Cb 0.73 1.39 -0.02 0.00 0.47 0.00 0.00 36.82 39.40 1r6r h ILE 88 CO 0.06 0.52 0.16 1.23 -3.07 0.00 0.00 178.15 177.05 1r6r h GLY 89 N 0.79 0.51 1.49 8.18 0.00 -1.19 -0.54 103.07 112.31 1r6r h GLY 89 Ca 0.06 -0.22 -0.14 0.00 0.00 0.00 0.00 47.33 47.03 1r6r h GLY 89 CO 0.10 0.21 -0.42 3.21 0.00 0.00 0.00 176.54 179.64 1r6r h ARG 90 N 0.48 0.56 -0.86 4.80 3.08 -0.92 -2.30 114.38 119.22 1r6r h ARG 90 Ca 0.12 -0.29 0.03 0.00 0.07 0.00 0.00 59.98 59.92 1r6r h ARG 90 Cb 0.06 0.01 -0.05 0.00 0.08 0.00 0.00 29.97 30.07 1r6r h ARG 90 CO -0.02 0.88 0.57 1.98 -1.07 0.00 0.00 179.97 182.31 1r6r h MET 91 N 0.46 1.04 -0.49 0.04 4.05 -0.23 -0.16 114.93 119.64 1r6r h MET 91 Ca 0.04 -0.06 -0.07 0.00 -0.28 0.00 0.00 59.70 59.32 1r6r h MET 91 Cb 0.92 -0.24 -0.02 0.00 -0.80 0.00 0.00 31.60 31.47 1r6r h MET 91 CO 0.08 0.69 0.03 -0.07 0.23 0.00 0.00 176.91 177.87 1r6r h LEU 92 N 1.07 0.82 -2.02 3.39 3.38 -1.08 0.10 115.31 120.96 1r6r h LEU 92 Ca 0.34 -0.29 0.12 0.00 0.09 0.00 0.00 57.88 58.14 1r6r h LEU 92 Cb 0.02 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.54 1r6r h LEU 92 CO -0.10 0.90 0.40 0.78 0.09 0.00 0.00 178.44 180.51 1r6r h ASN 93 N 0.70 0.00 0.33 -0.43 -0.26 -0.51 0.49 115.58 115.90 1r6r h ASN 93 Ca 0.14 0.00 -0.33 0.00 -0.56 0.00 0.00 56.30 55.55 1r6r h ASN 93 Cb 0.46 0.00 -0.00 0.00 -1.06 0.00 0.00 38.32 37.72 1r6r h ASN 93 CO 0.02 0.00 -1.67 0.40 -1.06 0.00 0.00 177.43 175.12 1r6r h ILE 94 N 0.00 1.01 -0.63 2.81 2.04 -0.25 -3.12 117.51 119.37 1r6r h ILE 94 Ca 0.19 -2.64 0.00 0.00 1.00 0.00 0.00 64.86 63.41 1r6r h ILE 94 Cb 0.99 2.72 0.00 0.00 -0.74 0.00 0.00 36.82 39.79 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 -3.49 3.62 0.00 1.44 -0.00 0.21 -4.32 117.00 114.47 1r6r n LEU 95 Ca -0.21 -1.82 0.00 0.00 -0.00 0.00 0.00 56.01 53.98 1r6r n LEU 95 Cb 1.06 -0.46 0.00 0.00 -0.00 0.00 0.00 43.42 44.02 1r6r n LEU 95 CO 0.50 0.82 -0.49 0.59 -0.00 0.00 0.00 177.39 178.81 1r6r n ASN 96 N 1.28 4.46 0.31 1.45 3.02 0.15 -4.64 115.26 121.30 1r6r n ASN 96 Ca 0.22 0.00 0.18 0.00 -0.03 0.00 0.00 54.58 54.95 1r6r n ASN 96 Cb 0.60 0.27 1.00 0.00 -0.61 0.00 0.00 39.78 41.04 1r6r n ASN 96 CO 0.00 0.00 0.00 -0.09 -2.62 0.00 0.00 177.26 174.55 1r6r h ARG 97 N 0.00 0.00 -0.93 3.52 2.43 -1.70 -2.61 114.38 115.09 1r6r h ARG 97 Ca 0.00 0.00 0.21 0.00 -0.81 0.00 0.00 59.98 59.38 1r6r h ARG 97 Cb 0.98 0.00 -0.07 0.00 -0.42 0.00 0.00 29.97 30.46 1r6r h ARG 97 CO 0.00 0.02 0.61 0.07 -1.51 0.00 0.00 179.97 179.16 1r6r h ARG 98 N 0.00 0.42 -1.90 0.20 0.11 -1.82 -3.44 114.38 107.95 1r6r h ARG 98 Ca -0.00 -0.03 -0.30 0.00 0.10 0.00 0.00 59.98 59.75 1r6r h ARG 98 Cb 0.12 -0.10 -0.09 0.00 1.11 0.00 0.00 29.97 31.01 1r6r h ARG 98 CO 0.00 0.28 -0.31 -2.13 0.10 0.00 0.00 179.97 177.92 1r6r n ARG 99 N -4.54 -1.52 0.00 0.08 0.63 -0.99 -5.21 116.66 105.12 1r6r n ARG 99 Ca 0.20 0.84 0.00 0.00 -0.92 0.00 0.00 57.85 57.97 1r6r n ARG 99 Cb 0.71 -5.21 0.00 0.00 0.45 0.00 0.00 32.46 28.41 1r6r n ARG 99 CO 0.00 0.00 0.00 2.89 -2.51 0.00 0.00 177.63 178.01