#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pp8 n THR 11 N 0.00 0.00 0.04 4.37 -2.24 -1.26 -0.83 114.28 114.35 1pp8 n THR 11 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 1pp8 n THR 11 Cb 0.00 -0.23 -0.00 0.00 -2.10 0.00 0.00 70.33 68.00 1pp8 n THR 11 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 1pp8 n SER 12 N 0.02 0.43 -0.01 3.42 3.41 -1.26 -4.75 113.62 114.88 1pp8 n SER 12 Ca 0.00 -0.71 0.02 0.00 -0.26 0.00 0.00 58.87 57.92 1pp8 n SER 12 Cb 0.03 0.62 -0.05 0.00 -0.26 0.00 0.00 64.21 64.55 1pp8 n SER 12 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1pp8 n ARG 13 N -0.61 0.45 -2.22 4.33 1.74 -0.01 -5.01 116.66 115.33 1pp8 n ARG 13 Ca 0.00 -0.05 -0.32 0.00 -0.77 0.00 0.00 57.85 56.72 1pp8 n ARG 13 Cb 0.02 -1.14 -0.02 0.00 -1.02 0.00 0.00 32.46 30.29 1pp8 n ARG 13 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1pp8 s LEU 14 N -3.51 3.49 0.69 0.55 2.01 -1.23 -5.00 118.68 115.68 1pp8 s LEU 14 Ca -0.02 1.53 -0.16 0.00 0.01 0.00 0.00 54.13 55.49 1pp8 s LEU 14 Cb 0.04 -4.50 0.02 0.00 0.01 0.00 0.00 46.19 41.76 1pp8 s LEU 14 CO 0.25 -0.69 1.18 -2.84 1.01 0.00 0.00 176.35 175.26 1pp8 s PRO 15 N -4.43 2.44 0.00 1.29 0.02 -1.26 -4.79 135.00 128.27 1pp8 s PRO 15 Ca 0.58 1.69 0.00 0.00 0.02 0.00 0.00 61.00 63.28 1pp8 s PRO 15 Cb -0.10 -1.88 0.00 0.00 0.02 0.00 0.00 34.50 32.54 1pp8 s PRO 15 CO 0.39 -1.59 0.72 -2.30 -0.33 0.00 0.00 177.00 173.89 1pp8 n PRO 16 N -2.44 0.00 0.00 5.54 -0.02 -1.26 -2.07 135.00 134.74 1pp8 n PRO 16 Ca 0.13 0.72 0.00 0.00 -2.02 0.00 0.00 63.50 62.33 1pp8 n PRO 16 Cb 0.50 -1.11 0.00 0.00 -0.02 0.00 0.00 33.50 32.87 1pp8 n PRO 16 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 1pp8 n GLU 17 N -2.47 0.00 -0.43 -0.52 4.71 -1.26 0.23 120.64 120.89 1pp8 n GLU 17 Ca 0.00 0.35 0.40 0.00 -0.01 0.00 0.00 57.16 57.90 1pp8 n GLU 17 Cb 0.00 -0.59 0.69 0.00 -1.01 0.00 0.00 31.44 30.53 1pp8 n GLU 17 CO 0.00 0.00 0.00 0.82 0.09 0.00 0.00 177.13 178.04 1pp8 h ILE 18 N 0.00 0.10 0.00 -3.67 2.04 -1.78 0.51 117.51 114.72 1pp8 h ILE 18 Ca 0.00 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.85 1pp8 h ILE 18 Cb 0.00 0.13 0.00 0.00 -0.74 0.00 0.00 36.82 36.21 1pp8 h ILE 18 CO 0.00 0.00 -0.05 0.58 0.00 0.00 0.00 178.15 178.68 1pp8 h VAL 19 N 0.00 1.65 0.31 1.67 2.07 0.31 -3.00 116.25 119.26 1pp8 h VAL 19 Ca 0.68 -1.98 0.00 0.00 0.82 0.00 0.00 66.70 66.23 1pp8 h VAL 19 Cb 3.06 2.98 -0.03 0.00 -1.52 0.00 0.00 31.29 35.79 1pp8 h VAL 19 CO -0.01 0.52 -0.36 0.00 0.02 0.00 0.00 177.57 177.74 1pp8 h ALA 20 N 0.17 -0.74 -1.40 1.67 0.00 0.96 -0.32 119.26 119.61 1pp8 h ALA 20 Ca -0.01 -0.11 0.43 0.00 0.00 0.00 0.00 54.91 55.22 1pp8 h ALA 20 Cb 0.87 0.53 -0.10 0.00 0.00 0.00 0.00 17.79 19.10 1pp8 h ALA 20 CO 0.01 -0.96 0.95 0.00 0.00 0.00 0.00 179.25 179.25 1pp8 h ALA 21 N -0.23 2.98 0.00 0.00 0.00 -0.81 1.99 119.26 123.19 1pp8 h ALA 21 Ca -0.01 0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 1pp8 h ALA 21 Cb 0.66 0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.59 1pp8 h ALA 21 CO -0.09 -1.51 -0.78 -0.07 0.00 0.00 0.00 179.25 176.79 1pp8 h LEU 22 N 0.09 0.00 -0.21 0.00 3.38 -1.08 -3.33 115.31 114.16 1pp8 h LEU 22 Ca 0.77 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 58.64 1pp8 h LEU 22 Cb 2.63 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 43.38 1pp8 h LEU 22 CO -0.24 0.05 -0.27 0.50 0.09 0.00 0.00 178.44 178.56 1pp8 h LYS 23 N 0.00 0.56 0.60 1.13 3.64 0.48 -3.47 116.57 119.51 1pp8 h LYS 23 Ca -0.01 -0.32 -0.03 0.00 -1.27 0.00 0.00 60.65 59.02 1pp8 h LYS 23 Cb 1.05 0.02 0.01 0.00 -0.41 0.00 0.00 32.23 32.89 1pp8 h LYS 23 CO 0.00 0.91 -0.29 -0.09 -2.27 0.00 0.00 179.45 177.72 1pp8 h ARG 24 N 0.24 -0.78 0.00 1.90 9.65 -1.45 -3.51 114.38 120.43 1pp8 h ARG 24 Ca 0.03 0.05 0.00 0.00 -1.10 0.00 0.00 59.98 58.96 1pp8 h ARG 24 Cb 0.84 0.18 0.00 0.00 -1.39 0.00 0.00 29.97 29.60 1pp8 h ARG 24 CO 0.06 -0.49 0.00 1.19 2.80 0.00 0.00 179.97 183.54 1pp8 n PHE 34 N -5.41 0.00 0.00 2.20 0.99 -1.26 -5.07 117.46 108.91 1pp8 n PHE 34 Ca -0.13 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.32 1pp8 n PHE 34 Cb 0.34 0.00 0.00 0.00 -1.00 0.00 0.00 39.48 38.82 1pp8 n PHE 34 CO 0.00 0.00 0.00 -2.30 -0.00 0.00 0.00 176.76 174.46 1pp8 n PRO 35 N 0.00 0.00 -0.32 -1.08 -0.02 -1.26 -0.52 135.00 131.81 1pp8 n PRO 35 Ca 0.00 0.00 0.10 0.00 -2.02 0.00 0.00 63.50 61.58 1pp8 n PRO 35 Cb 0.00 0.00 0.27 0.00 -0.02 0.00 0.00 33.50 33.75 1pp8 n PRO 35 CO 0.00 0.00 0.00 0.07 1.98 0.00 0.00 175.50 177.55 1pp8 h ARG 36 N 0.00 0.59 0.00 -0.52 -0.00 -1.99 -1.87 114.38 110.59 1pp8 h ARG 36 Ca 0.00 -0.04 0.00 0.00 -0.00 0.00 0.00 59.98 59.94 1pp8 h ARG 36 Cb 0.00 -0.13 0.00 0.00 -0.00 0.00 0.00 29.97 29.84 1pp8 h ARG 36 CO 0.00 0.39 0.00 1.63 -0.00 0.00 0.00 179.97 181.99 1pp8 n LYS 37 N -4.88 0.00 -0.29 0.08 5.02 0.33 0.15 118.16 118.56 1pp8 n LYS 37 Ca 0.20 0.38 0.34 0.00 -2.02 0.00 0.00 58.31 57.21 1pp8 n LYS 37 Cb 0.53 -1.24 0.74 0.00 -0.02 0.00 0.00 35.03 35.04 1pp8 n LYS 37 CO 0.00 0.00 0.00 1.25 -0.52 0.00 0.00 177.40 178.13 1pp8 h LEU 38 N 0.00 0.00 0.07 -0.35 6.46 -1.51 -1.30 115.31 118.68 1pp8 h LEU 38 Ca 0.00 0.00 -0.00 0.00 -0.12 0.00 0.00 57.88 57.76 1pp8 h LEU 38 Cb 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 39.93 1pp8 h LEU 38 CO 0.00 0.00 -0.03 -0.74 -0.62 0.00 0.00 178.44 177.05 1pp8 h HIS 39 N 0.00 -0.09 -1.79 1.25 2.76 -0.48 -2.90 115.15 113.90 1pp8 h HIS 39 Ca 0.53 -0.00 0.52 0.00 -2.20 0.00 0.00 60.37 59.22 1pp8 h HIS 39 Cb 2.19 0.03 -0.07 0.00 1.55 0.00 0.00 27.41 31.11 1pp8 h HIS 39 CO 0.00 -0.05 1.38 0.00 -1.30 0.00 0.00 177.93 177.96 1pp8 n MET 40 N -2.57 0.00 0.02 5.26 0.00 0.38 0.16 117.12 120.37 1pp8 n MET 40 Ca -0.01 1.06 -0.13 0.00 0.00 0.00 0.00 57.70 58.62 1pp8 n MET 40 Cb 0.04 -2.49 -0.09 0.00 0.00 0.00 0.00 33.22 30.68 1pp8 n MET 40 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 175.97 177.22 1pp8 h LEU 41 N 0.00 -0.07 -0.36 3.17 5.85 -1.30 -2.75 115.31 119.85 1pp8 h LEU 41 Ca 0.85 -0.40 0.07 0.00 0.84 0.00 0.00 57.88 59.24 1pp8 h LEU 41 Cb 3.60 0.02 -0.09 0.00 0.37 0.00 0.00 40.66 44.56 1pp8 h LEU 41 CO -0.01 0.38 -0.36 -0.07 -0.34 0.00 0.00 178.44 178.04 1pp8 h LEU 42 N -0.54 -1.17 -1.92 2.25 -0.00 0.18 -0.18 115.31 113.94 1pp8 h LEU 42 Ca -0.01 0.19 0.14 0.00 -0.00 0.00 0.00 57.88 58.20 1pp8 h LEU 42 Cb 0.47 0.53 -0.02 0.00 -0.00 0.00 0.00 40.66 41.64 1pp8 h LEU 42 CO 0.01 -0.34 0.51 0.71 -0.00 0.00 0.00 178.44 179.33 1pp8 h THR 43 N -0.30 0.36 0.00 0.22 1.35 -1.43 -0.66 112.91 112.45 1pp8 h THR 43 Ca 0.15 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 66.01 1pp8 h THR 43 Cb 0.56 0.60 0.00 0.00 -1.73 0.00 0.00 68.15 67.58 1pp8 h THR 43 CO -0.52 0.00 -0.06 0.22 -0.25 0.00 0.00 175.52 174.91 1pp8 h TYR 44 N 0.00 0.00 -0.22 4.73 -0.00 -0.77 -3.37 116.97 117.35 1pp8 h TYR 44 Ca 0.23 0.00 0.06 0.00 -0.00 0.00 0.00 58.73 59.02 1pp8 h TYR 44 Cb 1.24 0.00 -0.01 0.00 -0.00 0.00 0.00 36.73 37.96 1pp8 h TYR 44 CO 0.00 0.00 0.77 -0.07 -0.00 0.00 0.00 178.16 178.86 1pp8 h LEU 45 N -0.41 0.00 0.00 2.82 3.38 -0.87 2.57 115.31 122.81 1pp8 h LEU 45 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1pp8 h LEU 45 Cb 0.06 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.81 1pp8 h LEU 45 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 178.44 178.53 1pp8 n ALA 46 N -1.84 2.67 -0.79 1.53 0.00 -0.29 -2.98 120.51 118.81 1pp8 n ALA 46 Ca 0.04 -0.19 0.07 0.00 0.00 0.00 0.00 53.44 53.37 1pp8 n ALA 46 Cb 0.85 -1.48 0.13 0.00 0.00 0.00 0.00 19.45 18.95 1pp8 n ALA 46 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1pp8 n SER 47 N -0.97 2.57 -3.22 0.00 7.64 0.86 -4.76 113.62 115.74 1pp8 n SER 47 Ca 0.22 -2.79 -0.08 0.00 1.01 0.00 0.00 58.87 57.23 1pp8 n SER 47 Cb 0.10 -0.35 -0.04 0.00 -1.01 0.00 0.00 64.21 62.92 1pp8 n SER 47 CO 0.00 0.00 0.00 0.21 -3.01 0.00 0.00 175.04 172.24 1pp8 s ASN 48 N -2.23 -0.39 0.06 6.43 3.04 -1.16 -5.06 114.94 115.63 1pp8 s ASN 48 Ca 0.27 -1.30 -0.13 0.00 0.04 0.00 0.00 52.86 51.73 1pp8 s ASN 48 Cb 0.22 1.33 -0.04 0.00 -1.54 0.00 0.00 41.25 41.23 1pp8 s ASN 48 CO 0.04 -0.19 1.23 -0.65 -3.04 0.00 0.00 177.10 174.49 1pp8 h PRO 49 N 6.72 -0.06 -0.37 0.43 0.11 -1.86 -1.10 132.00 135.86 1pp8 h PRO 49 Ca 0.06 0.00 0.08 0.00 0.11 0.00 0.00 66.00 66.25 1pp8 h PRO 49 Cb 1.11 0.01 -0.09 0.00 0.11 0.00 0.00 31.00 32.15 1pp8 h PRO 49 CO 0.14 -0.04 -0.30 1.96 -0.21 0.00 0.00 178.00 179.55 1pp8 h GLN 50 N -0.06 -0.24 -0.91 1.05 1.08 -1.97 -0.33 115.11 113.74 1pp8 h GLN 50 Ca 0.05 0.02 0.11 0.00 -1.45 0.00 0.00 58.65 57.38 1pp8 h GLN 50 Cb 0.20 0.05 -0.07 0.00 -0.05 0.00 0.00 27.48 27.61 1pp8 h GLN 50 CO -0.34 -0.16 0.59 1.25 -0.95 0.00 0.00 178.83 179.21 1pp8 h LEU 51 N -0.24 0.79 0.24 1.46 7.12 -1.59 -1.96 115.31 121.13 1pp8 h LEU 51 Ca 0.17 0.03 -0.01 0.00 0.13 0.00 0.00 57.88 58.20 1pp8 h LEU 51 Cb 0.52 -0.13 0.00 0.00 -0.53 0.00 0.00 40.66 40.52 1pp8 h LEU 51 CO -0.51 0.44 -0.12 1.05 -0.13 0.00 0.00 178.44 179.18 1pp8 h GLU 52 N 0.86 -0.31 -0.46 1.25 4.11 0.09 0.70 114.58 120.82 1pp8 h GLU 52 Ca 0.43 0.02 0.05 0.00 0.07 0.00 0.00 59.36 59.94 1pp8 h GLU 52 Cb 0.49 0.07 -0.03 0.00 0.50 0.00 0.00 28.75 29.78 1pp8 h GLU 52 CO -0.20 0.01 0.31 0.93 0.07 0.00 0.00 179.01 180.13 1pp8 h GLU 53 N -0.66 0.39 0.14 1.06 3.07 -1.23 0.13 114.58 117.48 1pp8 h GLU 53 Ca -0.03 -0.02 -0.01 0.00 -0.50 0.00 0.00 59.36 58.80 1pp8 h GLU 53 Cb 0.47 -0.09 0.00 0.00 -0.84 0.00 0.00 28.75 28.29 1pp8 h GLU 53 CO 0.05 0.26 -0.07 0.93 -1.40 0.00 0.00 179.01 178.78 1pp8 h GLU 54 N 0.40 -0.18 -0.24 2.33 5.08 -1.14 -3.25 114.58 117.58 1pp8 h GLU 54 Ca 0.20 0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.56 1pp8 h GLU 54 Cb 0.27 0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.55 1pp8 h GLU 54 CO -0.05 0.26 0.13 0.82 -1.00 0.00 0.00 179.01 179.18 1pp8 h ILE 55 N -0.77 1.12 0.00 3.13 1.08 -0.77 -3.48 117.51 117.82 1pp8 h ILE 55 Ca -0.02 -0.32 0.00 0.00 -0.39 0.00 0.00 64.86 64.13 1pp8 h ILE 55 Cb 0.53 0.89 0.00 0.00 -3.07 0.00 0.00 36.82 35.18 1pp8 h ILE 55 CO 0.03 0.12 0.00 0.61 -0.69 0.00 0.00 178.15 178.22 1pp8 n GLY 56 N -0.93 0.78 0.00 5.37 0.00 0.45 -4.28 105.19 106.58 1pp8 n GLY 56 Ca -0.03 -0.71 0.00 0.00 0.00 0.00 0.00 46.02 45.28 1pp8 n GLY 56 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1pp8 n LEU 57 N 0.00 0.00 -3.99 0.99 -0.00 -1.09 -1.42 117.00 111.50 1pp8 n LEU 57 Ca 0.00 0.00 -0.11 0.00 -0.00 0.00 0.00 56.01 55.90 1pp8 n LEU 57 Cb 0.00 0.00 -0.03 0.00 -0.00 0.00 0.00 43.42 43.39 1pp8 n LEU 57 CO 0.00 0.00 0.25 -0.94 -0.00 0.00 0.00 177.39 176.70 1pp8 s SER 58 N 0.00 0.32 0.17 1.96 1.04 -0.76 -4.79 113.70 111.64 1pp8 s SER 58 Ca 0.00 -1.18 -0.00 0.00 0.48 0.00 0.00 55.95 55.25 1pp8 s SER 58 Cb 0.00 0.68 -0.04 0.00 0.10 0.00 0.00 66.02 66.76 1pp8 s SER 58 CO 0.00 -1.33 0.35 0.26 0.98 0.00 0.00 173.24 173.50 1pp8 s TRP 59 N -3.26 3.49 0.00 5.02 0.51 -1.26 -0.19 118.94 123.25 1pp8 s TRP 59 Ca 0.24 0.28 0.00 0.00 -2.12 0.00 0.00 56.10 54.50 1pp8 s TRP 59 Cb -0.02 -1.80 0.00 0.00 -0.81 0.00 0.00 33.47 30.84 1pp8 s TRP 59 CO 0.14 0.43 0.00 -0.89 -0.51 0.00 0.00 176.95 176.12 1pp8 n ILE 60 N -0.53 0.00 0.00 2.03 5.41 -0.53 -4.82 119.36 120.92 1pp8 n ILE 60 Ca -0.05 0.13 0.00 0.00 1.00 0.00 0.00 62.75 63.82 1pp8 n ILE 60 Cb 0.54 -1.01 0.00 0.00 -0.71 0.00 0.00 39.64 38.45 1pp8 n ILE 60 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 176.55 175.01 1pp8 n SER 61 N -1.98 0.00 0.00 4.38 3.41 -0.89 -4.99 113.62 113.54 1pp8 n SER 61 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 1pp8 n SER 61 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 1pp8 n SER 61 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 1pp8 n ASP 62 N -0.41 0.00 0.00 4.04 4.64 -1.26 -4.89 116.55 118.67 1pp8 n ASP 62 Ca 0.00 0.00 0.00 0.00 -1.38 0.00 0.00 54.79 53.41 1pp8 n ASP 62 Cb 0.00 0.00 0.00 0.00 -1.04 0.00 0.00 41.12 40.08 1pp8 n ASP 62 CO 0.00 0.00 0.00 1.07 -0.82 0.00 0.00 177.20 177.45 1pp8 n THR 63 N 0.00 0.00 -4.02 5.18 5.66 -1.25 -3.26 114.28 116.58 1pp8 n THR 63 Ca 0.00 -0.04 -0.33 0.00 -3.05 0.00 0.00 64.05 60.63 1pp8 n THR 63 Cb 0.00 1.15 -0.15 0.00 -1.55 0.00 0.00 70.33 69.78 1pp8 n THR 63 CO 0.00 0.00 0.00 -0.70 -3.05 0.00 0.00 175.07 171.32 1pp8 s GLU 64 N -0.06 2.55 0.33 1.09 2.12 -1.26 -4.15 118.70 119.31 1pp8 s GLU 64 Ca 0.00 -1.15 0.07 0.00 0.36 0.00 0.00 54.97 54.25 1pp8 s GLU 64 Cb 0.00 -2.91 -0.06 0.00 0.26 0.00 0.00 34.13 31.42 1pp8 s GLU 64 CO 0.00 -0.47 -0.04 -0.59 -0.54 0.00 0.00 175.26 173.62 1pp8 s PHE 65 N 1.21 2.16 0.00 5.30 -0.12 -0.69 -1.46 117.98 124.40 1pp8 s PHE 65 Ca -0.04 -0.69 -0.15 0.00 -0.05 0.00 0.00 56.93 56.00 1pp8 s PHE 65 Cb -0.18 -1.32 -0.06 0.00 -0.63 0.00 0.00 43.02 40.83 1pp8 s PHE 65 CO -0.06 0.34 0.43 0.15 -0.05 0.00 0.00 175.22 176.04 1pp8 s LYS 66 N -3.72 3.97 0.01 1.99 1.02 0.73 -0.87 119.74 122.87 1pp8 s LYS 66 Ca 0.32 0.45 -0.23 0.00 0.02 0.00 0.00 55.97 56.53 1pp8 s LYS 66 Cb 0.05 -3.23 0.05 0.00 -0.52 0.00 0.00 37.83 34.18 1pp8 s LYS 66 CO 0.15 0.66 0.52 1.41 -0.92 0.00 0.00 175.35 177.17 1pp8 s MET 67 N -1.00 0.97 -0.54 1.68 1.75 -0.52 -1.84 119.30 119.80 1pp8 s MET 67 Ca 0.24 -0.09 0.06 0.00 -1.25 0.00 0.00 55.69 54.66 1pp8 s MET 67 Cb -0.17 0.44 0.23 0.00 2.84 0.00 0.00 34.83 38.18 1pp8 s MET 67 CO 0.14 -0.32 0.60 1.63 -0.65 0.00 0.00 175.02 176.42 1pp8 n LYS 68 N 0.73 1.63 0.00 4.11 5.02 -0.51 0.60 118.16 129.74 1pp8 n LYS 68 Ca -0.19 -4.03 0.00 0.00 -2.02 0.00 0.00 58.31 52.07 1pp8 n LYS 68 Cb 0.58 -1.86 0.00 0.00 -0.02 0.00 0.00 35.03 33.74 1pp8 n LYS 68 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1pp8 n LYS 69 N 1.35 0.00 0.00 1.97 5.02 -1.26 -1.54 118.16 123.69 1pp8 n LYS 69 Ca 0.26 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.55 1pp8 n LYS 69 Cb 0.45 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.46 1pp8 n LYS 69 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1pp8 n LYS 70 N -0.01 0.00 -0.11 1.97 4.01 -1.26 0.16 118.16 122.91 1pp8 n LYS 70 Ca 0.00 0.29 -0.06 0.00 -0.51 0.00 0.00 58.31 58.03 1pp8 n LYS 70 Cb 0.00 -0.43 0.01 0.00 -0.51 0.00 0.00 35.03 34.10 1pp8 n LYS 70 CO 0.00 0.00 0.00 -0.91 -1.11 0.00 0.00 177.40 175.38 1pp8 h ASN 71 N 0.00 -0.70 -0.96 4.39 4.21 -1.53 0.06 115.58 121.05 1pp8 h ASN 71 Ca 0.00 0.16 0.16 0.00 1.21 0.00 0.00 56.30 57.83 1pp8 h ASN 71 Cb 0.00 0.37 -0.10 0.00 -1.12 0.00 0.00 38.32 37.47 1pp8 h ASN 71 CO 0.00 -0.24 0.56 0.58 -1.29 0.00 0.00 177.43 177.04 1pp8 h VAL 72 N -0.14 0.75 0.58 2.81 2.07 0.17 -0.87 116.25 121.63 1pp8 h VAL 72 Ca 0.19 -0.26 -0.02 0.00 0.82 0.00 0.00 66.70 67.42 1pp8 h VAL 72 Cb 0.44 -0.08 -0.01 0.00 -1.52 0.00 0.00 31.29 30.12 1pp8 h VAL 72 CO -0.48 0.14 -0.39 0.00 0.02 0.00 0.00 177.57 176.87 1pp8 h ALA 73 N 1.60 -1.17 -0.79 1.67 0.00 0.11 -2.48 119.26 118.20 1pp8 h ALA 73 Ca 0.53 -0.19 0.18 0.00 0.00 0.00 0.00 54.91 55.43 1pp8 h ALA 73 Cb 0.75 0.52 -0.14 0.00 0.00 0.00 0.00 17.79 18.91 1pp8 h ALA 73 CO -0.35 -1.15 -0.06 1.25 0.00 0.00 0.00 179.25 178.94 1pp8 h LEU 74 N -0.92 -0.49 -1.52 0.00 7.12 -0.76 0.31 115.31 119.06 1pp8 h LEU 74 Ca -0.08 0.22 0.06 0.00 0.13 0.00 0.00 57.88 58.21 1pp8 h LEU 74 Cb 0.74 0.41 -0.04 0.00 -0.53 0.00 0.00 40.66 41.24 1pp8 h LEU 74 CO 0.06 -0.22 0.40 0.58 -0.13 0.00 0.00 178.44 179.12 1pp8 h VAL 75 N 0.06 1.01 0.00 1.05 2.07 -1.03 -2.77 116.25 116.65 1pp8 h VAL 75 Ca 0.42 -0.21 -0.13 0.00 0.82 0.00 0.00 66.70 67.60 1pp8 h VAL 75 Cb 0.73 0.36 -0.02 0.00 -1.52 0.00 0.00 31.29 30.84 1pp8 h VAL 75 CO -0.74 0.11 -1.02 -0.03 0.02 0.00 0.00 177.57 175.91 1pp8 h MET 76 N 0.60 0.00 0.00 1.57 4.05 -0.02 -3.47 114.93 117.66 1pp8 h MET 76 Ca 0.25 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.67 1pp8 h MET 76 Cb 0.24 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.04 1pp8 h MET 76 CO -0.07 0.35 0.00 0.41 0.23 0.00 0.00 176.91 177.83 1pp8 n GLY 77 N 1.31 0.75 3.68 1.39 0.00 0.01 -4.77 105.19 107.57 1pp8 n GLY 77 Ca -0.04 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.68 1pp8 n GLY 77 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1pp8 s ILE 78 N -2.13 2.42 0.61 -0.61 1.01 -1.06 -4.95 121.20 116.50 1pp8 s ILE 78 Ca 0.00 0.14 0.02 0.00 0.00 0.00 0.00 60.65 60.81 1pp8 s ILE 78 Cb 0.00 -2.54 0.12 0.00 0.01 0.00 0.00 42.46 40.04 1pp8 s ILE 78 CO 0.00 -0.18 0.84 0.29 0.00 0.00 0.00 174.94 175.89 1pp8 n LYS 79 N -4.09 0.12 0.00 2.79 4.01 -1.26 -4.21 118.16 115.52 1pp8 n LYS 79 Ca 0.06 -2.48 0.00 0.00 -0.51 0.00 0.00 58.31 55.39 1pp8 n LYS 79 Cb 0.55 -0.50 0.00 0.00 -0.51 0.00 0.00 35.03 34.57 1pp8 n LYS 79 CO 0.00 0.00 0.00 -0.11 -1.11 0.00 0.00 177.40 176.18 1pp8 n LEU 80 N 0.00 0.61 -0.27 -0.35 0.00 -1.26 -3.69 117.00 112.05 1pp8 n LEU 80 Ca 0.15 0.09 -0.01 0.00 0.00 0.00 0.00 56.01 56.23 1pp8 n LEU 80 Cb 0.52 0.00 0.02 0.00 0.00 0.00 0.00 43.42 43.96 1pp8 n LEU 80 CO 0.35 0.00 0.40 -3.20 0.00 0.00 0.00 177.39 174.94 1pp8 n ASN 81 N -0.19 -0.47 -0.43 1.96 5.15 -1.26 0.23 115.26 120.25 1pp8 n ASN 81 Ca 0.00 1.20 0.00 0.00 -0.60 0.00 0.00 54.58 55.18 1pp8 n ASN 81 Cb 0.00 -0.26 0.00 0.00 -0.53 0.00 0.00 39.78 38.99 1pp8 n ASN 81 CO 0.00 0.00 0.00 0.35 1.40 0.00 0.00 177.26 179.01 1pp8 n THR 82 N -5.00 0.00 0.03 -0.44 -2.24 -1.26 0.11 114.28 105.48 1pp8 n THR 82 Ca 0.06 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.84 1pp8 n THR 82 Cb 0.27 -0.08 0.00 0.00 -2.10 0.00 0.00 70.33 68.42 1pp8 n THR 82 CO 0.00 0.00 0.00 -0.11 -0.57 0.00 0.00 175.07 174.39 1pp8 n LEU 83 N 0.35 0.04 0.05 3.22 -0.00 0.63 -4.35 117.00 116.93 1pp8 n LEU 83 Ca 0.00 0.09 0.21 0.00 -0.00 0.00 0.00 56.01 56.32 1pp8 n LEU 83 Cb 0.00 0.05 0.68 0.00 -0.00 0.00 0.00 43.42 44.15 1pp8 n LEU 83 CO 0.00 -0.46 1.19 -1.13 -0.00 0.00 0.00 177.39 176.99 1pp8 h ASN 84 N 0.00 0.00 0.00 1.96 -0.73 0.23 -1.26 115.58 115.78 1pp8 h ASN 84 Ca 0.00 0.00 -0.43 0.00 1.87 0.00 0.00 56.30 57.74 1pp8 h ASN 84 Cb 0.21 0.00 -0.07 0.00 0.27 0.00 0.00 38.32 38.73 1pp8 h ASN 84 CO 0.00 0.00 -2.48 0.55 -0.37 0.00 0.00 177.43 175.13 1pp8 n VAL 85 N -3.53 1.46 0.14 2.57 3.14 0.29 -2.71 118.33 119.70 1pp8 n VAL 85 Ca 0.10 -0.42 0.07 0.00 -2.96 0.00 0.00 64.34 61.12 1pp8 n VAL 85 Cb 0.80 -1.73 0.36 0.00 -1.06 0.00 0.00 33.84 32.20 1pp8 n VAL 85 CO 0.00 0.00 0.00 0.59 -6.46 0.00 0.00 176.83 170.96 1pp8 n ASN 86 N -3.93 0.34 -0.04 6.55 5.03 -0.96 0.02 115.26 122.26 1pp8 n ASN 86 Ca -0.51 0.57 -0.02 0.00 0.87 0.00 0.00 54.58 55.50 1pp8 n ASN 86 Cb 0.90 -0.55 -0.01 0.00 -1.02 0.00 0.00 39.78 39.10 1pp8 n ASN 86 CO 0.00 0.00 0.00 0.25 -1.83 0.00 0.00 177.26 175.68 1pp8 h LEU 87 N 0.00 0.00 -0.95 3.41 5.85 -1.40 -3.35 115.31 118.87 1pp8 h LEU 87 Ca 0.00 0.00 0.12 0.00 0.84 0.00 0.00 57.88 58.84 1pp8 h LEU 87 Cb 0.42 0.00 -0.08 0.00 0.37 0.00 0.00 40.66 41.37 1pp8 h LEU 87 CO 0.00 0.39 0.58 -0.09 -0.34 0.00 0.00 178.44 178.98 1pp8 h ARG 88 N -0.59 0.88 -1.74 1.25 9.65 -0.83 -2.88 114.38 120.13 1pp8 h ARG 88 Ca 0.00 -0.05 -0.73 0.00 -1.10 0.00 0.00 59.98 58.10 1pp8 h ARG 88 Cb 0.18 -0.20 -0.29 0.00 -1.39 0.00 0.00 29.97 28.27 1pp8 h ARG 88 CO 0.00 0.58 0.83 -0.25 2.80 0.00 0.00 179.97 183.94 1pp8 n ASP 89 N -4.67 7.27 -1.06 -3.80 10.43 0.10 -4.36 116.55 120.46 1pp8 n ASP 89 Ca 0.18 -3.82 -0.04 0.00 2.57 0.00 0.00 54.79 53.68 1pp8 n ASP 89 Cb 0.36 -0.98 -0.03 0.00 1.84 0.00 0.00 41.12 42.31 1pp8 n ASP 89 CO 0.00 0.00 0.00 -0.11 -1.07 0.00 0.00 177.20 176.02 1pp8 n LEU 90 N -0.61 -0.75 0.00 0.64 0.00 -1.15 -4.87 117.00 110.26 1pp8 n LEU 90 Ca 0.54 -1.56 0.00 0.00 0.00 0.00 0.00 56.01 54.99 1pp8 n LEU 90 Cb 0.37 0.05 0.00 0.00 0.00 0.00 0.00 43.42 43.84 1pp8 n LEU 90 CO 0.55 1.24 0.00 0.00 0.00 0.00 0.00 177.39 179.18 1pp8 n ALA 91 N -0.15 0.00 -2.66 1.96 0.00 -1.26 -5.00 120.51 113.40 1pp8 n ALA 91 Ca -0.19 0.00 -0.37 0.00 0.00 0.00 0.00 53.44 52.88 1pp8 n ALA 91 Cb 0.59 -0.15 -0.09 0.00 0.00 0.00 0.00 19.45 19.81 1pp8 n ALA 91 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 1pp8 s PHE 92 N -2.00 3.33 -0.49 0.00 0.08 -1.10 -4.12 117.98 113.68 1pp8 s PHE 92 Ca 0.00 0.40 -0.16 0.00 0.12 0.00 0.00 56.93 57.29 1pp8 s PHE 92 Cb 0.00 -2.40 0.08 0.00 -0.57 0.00 0.00 43.02 40.13 1pp8 s PHE 92 CO 0.00 0.00 0.44 -1.21 -0.10 0.00 0.00 175.22 174.35 1pp8 s GLU 93 N 1.27 2.99 0.45 0.44 2.02 0.67 -4.60 118.70 121.94 1pp8 s GLU 93 Ca 0.13 -1.40 -0.08 0.00 0.02 0.00 0.00 54.97 53.65 1pp8 s GLU 93 Cb -0.14 -4.17 0.12 0.00 0.10 0.00 0.00 34.13 30.03 1pp8 s GLU 93 CO 0.07 -1.12 0.30 0.94 0.02 0.00 0.00 175.26 175.47 1pp8 n GLN 94 N 5.30 -2.58 0.00 1.61 7.27 -1.26 -2.21 117.38 125.51 1pp8 n GLN 94 Ca -0.12 -0.49 0.00 0.00 0.07 0.00 0.00 57.00 56.45 1pp8 n GLN 94 Cb 0.43 -0.58 0.00 0.00 2.41 0.00 0.00 30.24 32.50 1pp8 n GLN 94 CO 0.00 0.00 0.00 1.47 0.07 0.00 0.00 177.06 178.60 1pp8 n LEU 95 N 0.00 0.00 0.07 1.69 -0.00 -1.23 -4.81 117.00 112.71 1pp8 n LEU 95 Ca 0.05 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.06 1pp8 n LEU 95 Cb 0.19 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.61 1pp8 n LEU 95 CO 0.13 0.00 0.00 0.00 -0.00 0.00 0.00 177.39 177.52 1pp8 n GLN 96 N 0.00 0.00 0.00 1.47 1.13 -1.26 -4.85 117.38 113.87 1pp8 n GLN 96 Ca 0.00 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.06 1pp8 n GLN 96 Cb 0.00 0.00 0.00 0.00 0.11 0.00 0.00 30.24 30.35 1pp8 n GLN 96 CO 0.00 0.00 0.00 1.58 -1.44 0.00 0.00 177.06 177.20 1pp8 n HIS 97 N -2.73 0.00 0.00 1.08 -0.00 -1.26 -4.88 115.22 107.43 1pp8 n HIS 97 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.72 1pp8 n HIS 97 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 29.99 1pp8 n HIS 97 CO 0.00 0.00 0.00 -3.47 -0.00 0.00 0.00 176.34 172.87 1pp8 n ASP 98 N 0.46 1.78 -0.29 0.26 2.03 -1.19 -4.79 116.55 114.83 1pp8 n ASP 98 Ca 0.00 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.31 1pp8 n ASP 98 Cb 0.00 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.40 1pp8 n ASP 98 CO 0.00 0.00 0.00 1.17 -1.92 0.00 0.00 177.20 176.45 1pp8 n LYS 99 N 0.00 0.00 -1.38 -0.67 0.00 -1.24 -4.42 118.16 110.45 1pp8 n LYS 99 Ca 0.00 0.10 -0.13 0.00 0.00 0.00 0.00 58.31 58.27 1pp8 n LYS 99 Cb 0.00 -0.19 -0.06 0.00 0.00 0.00 0.00 35.03 34.78 1pp8 n LYS 99 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1pp8 n GLY 100 N 0.59 1.36 0.76 3.14 0.00 -1.26 -2.76 105.19 107.02 1pp8 n GLY 100 Ca 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 46.02 45.77 1pp8 n GLY 100 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1pp8 n GLY 101 N -0.92 1.89 3.91 -0.02 0.00 -1.26 -5.06 105.19 103.73 1pp8 n GLY 101 Ca -0.13 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.61 1pp8 n GLY 101 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1pp8 s TRP 102 N -2.37 3.49 -0.01 1.61 0.52 -1.11 -4.35 118.94 116.72 1pp8 s TRP 102 Ca 0.00 0.65 0.01 0.00 0.02 0.00 0.00 56.10 56.78 1pp8 s TRP 102 Cb 0.00 -2.12 0.00 0.00 -1.15 0.00 0.00 33.47 30.20 1pp8 s TRP 102 CO 0.00 0.10 -0.02 0.99 0.02 0.00 0.00 176.95 178.04 1pp8 s THR 103 N -2.20 0.16 -0.00 2.01 2.01 0.20 -3.16 115.64 114.66 1pp8 s THR 103 Ca 0.44 -0.05 -0.12 0.00 0.31 0.00 0.00 61.69 62.27 1pp8 s THR 103 Cb -0.10 -0.17 -0.05 0.00 0.01 0.00 0.00 72.50 72.19 1pp8 s THR 103 CO 0.32 0.06 0.35 -1.10 -0.69 0.00 0.00 174.62 173.57 1pp8 s GLN 104 N 0.15 3.78 0.32 4.92 -0.21 -1.26 -1.44 119.66 125.92 1pp8 s GLN 104 Ca -0.01 0.23 0.04 0.00 0.02 0.00 0.00 55.36 55.64 1pp8 s GLN 104 Cb -0.03 -3.16 -0.02 0.00 1.00 0.00 0.00 33.01 30.80 1pp8 s GLN 104 CO -0.00 0.68 0.32 -1.58 -2.12 0.00 0.00 175.29 172.58 1pp8 s TRP 105 N -1.16 1.52 0.00 0.91 0.52 -0.05 -3.57 118.94 117.12 1pp8 s TRP 105 Ca 0.25 -1.54 -0.28 0.00 0.02 0.00 0.00 56.10 54.54 1pp8 s TRP 105 Cb -0.15 -0.54 0.10 0.00 -1.15 0.00 0.00 33.47 31.73 1pp8 s TRP 105 CO 0.13 -0.92 0.86 0.21 0.02 0.00 0.00 176.95 177.25 1pp8 s LYS 106 N -3.41 0.86 -0.15 4.98 2.20 -0.94 -1.70 119.74 121.58 1pp8 s LYS 106 Ca 0.38 -0.28 -0.29 0.00 -0.36 0.00 0.00 55.97 55.42 1pp8 s LYS 106 Cb 0.02 0.40 0.09 0.00 -1.51 0.00 0.00 37.83 36.83 1pp8 s LYS 106 CO 0.24 -0.37 0.80 0.50 -0.36 0.00 0.00 175.35 176.17 1pp8 s ARG 107 N -3.03 0.84 1.22 4.03 3.52 -1.26 0.24 118.95 124.52 1pp8 s ARG 107 Ca 0.04 0.43 -0.14 0.00 -0.13 0.00 0.00 55.73 55.93 1pp8 s ARG 107 Cb -0.01 0.40 0.31 0.00 -1.56 0.00 0.00 34.95 34.09 1pp8 s ARG 107 CO -0.08 -0.22 1.00 0.45 -0.81 0.00 0.00 175.30 175.64 1pp8 s SER 108 N -0.67 0.47 0.00 -2.12 0.15 -1.26 -2.96 113.70 107.31 1pp8 s SER 108 Ca -0.05 1.43 0.00 0.00 0.70 0.00 0.00 55.95 58.03 1pp8 s SER 108 Cb -0.02 -2.20 0.00 0.00 -1.71 0.00 0.00 66.02 62.09 1pp8 s SER 108 CO 0.04 -4.50 0.00 0.61 1.20 0.00 0.00 173.24 170.59 1pp8 n GLY 109 N 1.03 0.00 3.55 9.45 0.00 -1.26 -4.87 105.19 113.09 1pp8 n GLY 109 Ca 0.03 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.64 1pp8 n GLY 109 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1pp8 s PHE 110 N -0.64 3.18 -0.04 1.61 2.19 -1.15 -3.70 117.98 119.42 1pp8 s PHE 110 Ca 0.00 0.11 -0.12 0.00 0.33 0.00 0.00 56.93 57.25 1pp8 s PHE 110 Cb 0.00 -2.91 0.02 0.00 -1.31 0.00 0.00 43.02 38.82 1pp8 s PHE 110 CO 0.00 -0.55 0.27 0.95 1.83 0.00 0.00 175.22 177.72 1pp8 s THR 111 N 2.35 0.05 -2.00 0.12 -4.23 -0.93 -3.94 115.64 107.06 1pp8 s THR 111 Ca 0.18 -0.39 0.03 0.00 -1.18 0.00 0.00 61.69 60.33 1pp8 s THR 111 Cb -0.16 -0.52 0.08 0.00 1.34 0.00 0.00 72.50 73.24 1pp8 s THR 111 CO 0.13 -0.21 0.58 -2.11 -0.54 0.00 0.00 174.62 172.47 1pp8 n ARG 112 N 1.76 0.11 -0.12 3.99 1.85 -1.20 -1.28 116.66 121.77 1pp8 n ARG 112 Ca -0.19 0.00 -0.26 0.00 -1.00 0.00 0.00 57.85 56.40 1pp8 n ARG 112 Cb 0.56 -1.40 -0.11 0.00 -1.05 0.00 0.00 32.46 30.46 1pp8 n ARG 112 CO 0.00 0.00 0.00 0.09 -0.01 0.00 0.00 177.63 177.71 1pp8 n ASN 113 N -0.90 1.94 -2.51 2.89 3.02 -1.26 -5.06 115.26 113.38 1pp8 n ASN 113 Ca 0.02 0.31 0.02 0.00 -0.03 0.00 0.00 54.58 54.90 1pp8 n ASN 113 Cb 0.01 -0.83 0.01 0.00 -0.61 0.00 0.00 39.78 38.36 1pp8 n ASN 113 CO 0.00 0.00 0.00 -0.24 -2.62 0.00 0.00 177.26 174.40 1pp8 n SER 114 N -4.16 -0.61 0.00 6.41 2.88 -0.40 -5.23 113.62 112.51 1pp8 n SER 114 Ca -0.46 -1.10 0.00 0.00 -1.33 0.00 0.00 58.87 55.98 1pp8 n SER 114 Cb 0.85 0.93 0.00 0.00 -0.75 0.00 0.00 64.21 65.24 1pp8 n SER 114 CO 0.00 0.00 0.00 0.52 -1.23 0.00 0.00 175.04 174.33