#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pp8 n ASP 2 N 0.00 1.12 0.00 6.12 5.75 -1.26 -4.73 116.55 123.55 1pp8 n ASP 2 Ca 0.00 -1.86 0.00 0.00 -0.01 0.00 0.00 54.79 52.92 1pp8 n ASP 2 Cb 0.00 -0.33 0.00 0.00 -1.03 0.00 0.00 41.12 39.76 1pp8 n ASP 2 CO 0.00 0.00 0.00 -0.24 -0.11 0.00 0.00 177.20 176.85 1pp8 n SER 3 N -2.74 0.00 -0.45 -1.12 2.88 -1.26 -1.20 113.62 109.74 1pp8 n SER 3 Ca 0.10 0.46 0.41 0.00 -1.33 0.00 0.00 58.87 58.52 1pp8 n SER 3 Cb 0.38 -0.05 0.71 0.00 -0.75 0.00 0.00 64.21 64.50 1pp8 n SER 3 CO 0.00 0.00 0.00 -1.13 -1.23 0.00 0.00 175.04 172.68 1pp8 h ASN 4 N 0.00 0.00 0.02 -3.46 -0.73 -2.02 -1.30 115.58 108.09 1pp8 h ASN 4 Ca 0.00 0.00 -0.15 0.00 1.87 0.00 0.00 56.30 58.02 1pp8 h ASN 4 Cb 0.00 0.00 -0.02 0.00 0.27 0.00 0.00 38.32 38.57 1pp8 h ASN 4 CO 0.00 0.00 -0.78 0.44 -0.37 0.00 0.00 177.43 176.72 1pp8 h ASP 5 N 0.00 0.05 -0.85 1.15 5.19 -1.52 -3.36 116.42 117.08 1pp8 h ASP 5 Ca 0.70 -0.75 0.08 0.00 -0.62 0.00 0.00 57.03 56.43 1pp8 h ASP 5 Cb 3.04 -0.02 -0.10 0.00 0.18 0.00 0.00 39.33 42.43 1pp8 h ASP 5 CO -0.01 1.32 -0.50 0.18 -3.12 0.00 0.00 179.24 177.10 1pp8 n LEU 6 N -4.43 -0.91 0.00 1.55 4.77 -0.34 -0.98 117.00 116.66 1pp8 n LEU 6 Ca -0.22 1.53 0.00 0.00 -0.03 0.00 0.00 56.01 57.28 1pp8 n LEU 6 Cb 0.63 -0.20 0.00 0.00 -2.33 0.00 0.00 43.42 41.52 1pp8 n LEU 6 CO 0.28 -1.24 0.10 1.21 -1.33 0.00 0.00 177.39 176.41 1pp8 n GLU 7 N -5.06 0.00 -0.46 3.23 4.07 -1.19 0.16 120.64 121.39 1pp8 n GLU 7 Ca 0.02 0.20 0.39 0.00 -0.06 0.00 0.00 57.16 57.70 1pp8 n GLU 7 Cb 0.22 -0.48 0.70 0.00 -0.06 0.00 0.00 31.44 31.82 1pp8 n GLU 7 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1pp8 h ALA 8 N -1.30 3.05 -0.02 4.31 0.00 -1.47 -1.47 119.26 122.35 1pp8 h ALA 8 Ca 0.00 0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.93 1pp8 h ALA 8 Cb 0.00 0.14 -0.00 0.00 0.00 0.00 0.00 17.79 17.93 1pp8 h ALA 8 CO 0.00 -1.56 0.00 1.03 0.00 0.00 0.00 179.25 178.73 1pp8 h SER 9 N 0.09 0.04 0.47 0.00 0.87 0.33 -1.48 113.55 113.86 1pp8 h SER 9 Ca 0.75 -0.29 -0.02 0.00 -1.23 0.00 0.00 61.79 61.00 1pp8 h SER 9 Cb 2.64 -0.01 0.00 0.00 -0.44 0.00 0.00 62.40 64.60 1pp8 h SER 9 CO -0.19 0.32 -0.24 -0.26 -0.53 0.00 0.00 176.83 175.92 1pp8 h PHE 10 N -0.24 -0.64 -0.75 2.24 0.04 -0.27 -2.62 116.94 114.70 1pp8 h PHE 10 Ca 0.01 -0.01 0.26 0.00 2.80 0.00 0.00 57.97 61.02 1pp8 h PHE 10 Cb 0.30 0.22 -0.14 0.00 2.20 0.00 0.00 35.95 38.53 1pp8 h PHE 10 CO 0.03 -0.38 0.20 2.41 -0.60 0.00 0.00 178.31 179.97 1pp8 n THR 11 N -3.82 -0.32 0.38 -1.55 -1.04 -0.98 0.20 114.28 107.14 1pp8 n THR 11 Ca -0.08 1.60 0.13 0.00 -2.04 0.00 0.00 64.05 63.66 1pp8 n THR 11 Cb 0.26 -2.45 0.53 0.00 -1.82 0.00 0.00 70.33 66.85 1pp8 n THR 11 CO 0.00 0.00 0.00 0.28 -0.64 0.00 0.00 175.07 174.71 1pp8 h SER 12 N 0.00 0.00 -0.01 8.00 0.02 -0.88 -3.03 113.55 117.65 1pp8 h SER 12 Ca 0.55 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.50 1pp8 h SER 12 Cb 1.30 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.84 1pp8 h SER 12 CO -0.65 0.00 -0.40 0.54 -1.14 0.00 0.00 176.83 175.18 1pp8 n ARG 13 N -2.48 1.85 -2.95 3.45 1.74 0.52 -4.94 116.66 113.85 1pp8 n ARG 13 Ca 0.02 -0.60 -0.35 0.00 -0.77 0.00 0.00 57.85 56.15 1pp8 n ARG 13 Cb 0.27 -1.23 -0.06 0.00 -1.02 0.00 0.00 32.46 30.41 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 -2.14 4.19 0.71 0.55 1.02 -0.95 -5.02 118.68 117.04 1pp8 s LEU 14 Ca 0.11 1.58 -0.16 0.00 0.02 0.00 0.00 54.13 55.68 1pp8 s LEU 14 Cb 0.12 -4.04 0.03 0.00 0.02 0.00 0.00 46.19 42.31 1pp8 s LEU 14 CO 0.43 -0.14 1.25 -2.84 0.02 0.00 0.00 176.35 175.07 1pp8 s PRO 15 N -2.50 2.18 0.33 1.29 0.02 -1.26 -4.77 135.00 130.30 1pp8 s PRO 15 Ca 0.52 1.91 0.02 0.00 0.02 0.00 0.00 61.00 63.48 1pp8 s PRO 15 Cb -0.14 -1.82 0.61 0.00 0.02 0.00 0.00 34.50 33.17 1pp8 s PRO 15 CO 0.19 -1.84 1.97 -1.00 -0.33 0.00 0.00 177.00 175.99 1pp8 h PRO 16 N -0.06 0.89 -0.18 5.54 0.13 -1.95 -1.64 132.00 134.72 1pp8 h PRO 16 Ca -0.49 -0.05 0.05 0.00 -0.87 0.00 0.00 66.00 64.64 1pp8 h PRO 16 Cb 1.32 -0.20 -0.07 0.00 0.13 0.00 0.00 31.00 32.18 1pp8 h PRO 16 CO 0.50 0.59 -0.39 0.93 -0.23 0.00 0.00 178.00 179.40 1pp8 h GLU 17 N 0.92 -0.41 -0.20 0.86 3.07 -1.99 0.43 114.58 117.25 1pp8 h GLU 17 Ca 0.30 0.03 -0.02 0.00 -0.50 0.00 0.00 59.36 59.17 1pp8 h GLU 17 Cb 0.06 0.09 -0.01 0.00 -0.84 0.00 0.00 28.75 28.06 1pp8 h GLU 17 CO -0.09 -0.28 0.05 0.82 -1.40 0.00 0.00 179.01 178.12 1pp8 h ILE 18 N -0.43 1.20 -0.12 3.13 2.04 -1.74 -1.36 117.51 120.23 1pp8 h ILE 18 Ca 0.10 -0.65 0.04 0.00 1.00 0.00 0.00 64.86 65.35 1pp8 h ILE 18 Cb 0.60 1.25 -0.06 0.00 -0.74 0.00 0.00 36.82 37.86 1pp8 h ILE 18 CO -0.42 0.20 -0.41 0.58 0.00 0.00 0.00 178.15 178.10 1pp8 h VAL 19 N 0.14 0.15 -0.99 1.67 2.07 -0.73 -0.31 116.25 118.26 1pp8 h VAL 19 Ca 0.06 0.00 0.16 0.00 0.82 0.00 0.00 66.70 67.75 1pp8 h VAL 19 Cb 0.26 0.15 -0.17 0.00 -1.52 0.00 0.00 31.29 30.02 1pp8 h VAL 19 CO 0.00 0.00 -0.36 0.00 0.02 0.00 0.00 177.57 177.23 1pp8 h ALA 20 N 0.12 0.26 0.25 1.67 0.00 -0.73 0.58 119.26 121.40 1pp8 h ALA 20 Ca 0.07 0.30 0.00 0.00 0.00 0.00 0.00 54.91 55.29 1pp8 h ALA 20 Cb 0.62 0.96 -0.04 0.00 0.00 0.00 0.00 17.79 19.33 1pp8 h ALA 20 CO -0.39 -0.57 -0.51 0.00 0.00 0.00 0.00 179.25 177.78 1pp8 h ALA 21 N 1.50 -1.02 -0.98 0.00 0.00 0.07 -1.54 119.26 117.29 1pp8 h ALA 21 Ca 0.37 -0.13 0.20 0.00 0.00 0.00 0.00 54.91 55.35 1pp8 h ALA 21 Cb 0.62 0.83 -0.09 0.00 0.00 0.00 0.00 17.79 19.15 1pp8 h ALA 21 CO -0.99 -1.14 0.62 -0.07 0.00 0.00 0.00 179.25 177.67 1pp8 h LEU 22 N -0.83 0.63 0.10 0.00 -0.00 -0.01 -2.73 115.31 112.47 1pp8 h LEU 22 Ca -0.02 0.08 0.02 0.00 -0.00 0.00 0.00 57.88 57.96 1pp8 h LEU 22 Cb 0.79 -0.03 -0.04 0.00 -0.00 0.00 0.00 40.66 41.38 1pp8 h LEU 22 CO -0.21 0.22 -0.34 0.50 -0.00 0.00 0.00 178.44 178.61 1pp8 h LYS 23 N 0.61 -0.54 -6.56 1.13 1.63 0.07 -3.45 116.57 109.46 1pp8 h LYS 23 Ca 0.55 0.04 -0.58 0.00 -0.85 0.00 0.00 60.65 59.81 1pp8 h LYS 23 Cb 1.06 0.12 0.17 0.00 -0.60 0.00 0.00 32.23 32.98 1pp8 h LYS 23 CO -0.31 -0.36 -0.34 -2.13 -3.45 0.00 0.00 179.45 172.86 1pp8 n ARG 24 N -5.43 0.52 -2.82 1.90 3.00 -1.03 -4.95 116.66 107.85 1pp8 n ARG 24 Ca -0.06 0.21 -0.33 0.00 -0.00 0.00 0.00 57.85 57.67 1pp8 n ARG 24 Cb 0.34 -1.77 -0.06 0.00 0.00 0.00 0.00 32.46 30.97 1pp8 n ARG 24 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.63 177.84 1pp8 s LYS 25 N -2.26 4.16 0.52 -0.14 2.20 -1.26 -5.01 119.74 117.94 1pp8 s LYS 25 Ca 0.69 1.03 -0.22 0.00 -0.36 0.00 0.00 55.97 57.11 1pp8 s LYS 25 Cb -0.43 -2.21 -0.06 0.00 -1.51 0.00 0.00 37.83 33.62 1pp8 s LYS 25 CO 0.54 -0.03 1.25 -1.54 -0.36 0.00 0.00 175.35 175.21 1pp8 s SER 26 N -2.31 5.64 0.00 1.43 1.04 -1.24 -4.94 113.70 113.32 1pp8 s SER 26 Ca 0.60 2.51 0.00 0.00 0.48 0.00 0.00 55.95 59.55 1pp8 s SER 26 Cb -0.09 -2.62 0.00 0.00 0.10 0.00 0.00 66.02 63.41 1pp8 s SER 26 CO 0.16 -1.30 0.00 -1.54 0.98 0.00 0.00 173.24 171.54 1pp8 n SER 27 N -0.88 0.00 0.00 7.02 3.41 -1.26 -5.02 113.62 116.89 1pp8 n SER 27 Ca 0.10 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.71 1pp8 n SER 27 Cb 0.47 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.42 1pp8 n SER 27 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1pp8 n ARG 28 N 0.00 0.00 -1.38 4.33 5.12 -1.26 -4.81 116.66 118.66 1pp8 n ARG 28 Ca 0.00 0.00 -0.54 0.00 -1.93 0.00 0.00 57.85 55.38 1pp8 n ARG 28 Cb 0.00 -0.55 -0.08 0.00 -1.16 0.00 0.00 32.46 30.67 1pp8 n ARG 28 CO 0.00 0.00 0.00 -3.47 -1.93 0.00 0.00 177.63 172.23 1pp8 n ASP 29 N -0.47 0.49 0.00 0.55 2.03 -1.26 -4.74 116.55 113.15 1pp8 n ASP 29 Ca 0.00 1.00 0.09 0.00 0.52 0.00 0.00 54.79 56.41 1pp8 n ASP 29 Cb 0.00 -0.77 0.49 0.00 -0.72 0.00 0.00 41.12 40.12 1pp8 n ASP 29 CO 0.00 0.00 0.00 -2.65 -1.92 0.00 0.00 177.20 172.63 1pp8 n PRO 30 N 2.31 0.35 0.00 -0.67 -0.02 -1.26 -2.90 135.00 132.80 1pp8 n PRO 30 Ca 0.22 0.08 0.00 0.00 -2.02 0.00 0.00 63.50 61.78 1pp8 n PRO 30 Cb 0.01 -1.50 0.00 0.00 -0.02 0.00 0.00 33.50 31.99 1pp8 n PRO 30 CO 0.00 0.00 0.00 -1.71 1.98 0.00 0.00 175.50 175.77 1pp8 n ASN 31 N -1.21 0.48 -0.40 2.55 5.15 -1.26 -2.48 115.26 118.09 1pp8 n ASN 31 Ca 0.10 -1.09 0.00 0.00 -0.60 0.00 0.00 54.58 52.99 1pp8 n ASN 31 Cb 0.13 -0.24 0.00 0.00 -0.53 0.00 0.00 39.78 39.14 1pp8 n ASN 31 CO 0.00 0.00 0.00 -1.54 1.40 0.00 0.00 177.26 177.12 1pp8 n SER 32 N 0.14 0.00 -4.95 1.20 3.41 -1.14 -4.71 113.62 107.57 1pp8 n SER 32 Ca 0.00 -1.08 -0.23 0.00 -0.26 0.00 0.00 58.87 57.30 1pp8 n SER 32 Cb 0.12 -0.02 -0.01 0.00 -0.26 0.00 0.00 64.21 64.04 1pp8 n SER 32 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 1pp8 s ARG 33 N 0.00 3.47 0.00 4.33 0.52 -1.03 -3.67 118.95 122.57 1pp8 s ARG 33 Ca 0.00 -0.45 0.00 0.00 -0.52 0.00 0.00 55.73 54.76 1pp8 s ARG 33 Cb 0.00 -2.73 0.00 0.00 0.52 0.00 0.00 34.95 32.74 1pp8 s ARG 33 CO 0.00 0.24 0.50 0.34 0.02 0.00 0.00 175.30 176.40 1pp8 n PHE 34 N -1.64 0.00 0.00 -0.53 -0.00 -1.26 -2.15 117.46 111.88 1pp8 n PHE 34 Ca -0.06 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.39 1pp8 n PHE 34 Cb 0.56 -0.10 0.00 0.00 -0.00 0.00 0.00 39.48 39.94 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 -1.38 0.00 -0.28 -7.13 -0.02 -1.26 0.63 135.00 125.56 1pp8 n PRO 35 Ca 0.00 0.14 0.05 0.00 -2.02 0.00 0.00 63.50 61.67 1pp8 n PRO 35 Cb 0.00 -0.28 0.15 0.00 -0.02 0.00 0.00 33.50 33.34 1pp8 n PRO 35 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1pp8 h ARG 36 N 0.00 0.05 -0.70 -0.52 2.47 -1.76 0.37 114.38 114.28 1pp8 h ARG 36 Ca 0.00 -0.00 0.15 0.00 -1.26 0.00 0.00 59.98 58.87 1pp8 h ARG 36 Cb 0.00 -0.01 -0.11 0.00 -1.65 0.00 0.00 29.97 28.20 1pp8 h ARG 36 CO 0.00 0.03 0.09 -0.22 0.56 0.00 0.00 179.97 180.43 1pp8 h LYS 37 N 0.05 0.18 0.09 0.04 3.64 0.72 0.18 116.57 121.46 1pp8 h LYS 37 Ca 0.42 -0.01 -0.18 0.00 -1.27 0.00 0.00 60.65 59.61 1pp8 h LYS 37 Cb 0.72 -0.04 0.02 0.00 -0.41 0.00 0.00 32.23 32.52 1pp8 h LYS 37 CO -0.76 0.12 -0.76 1.25 -2.27 0.00 0.00 179.45 177.03 1pp8 h LEU 38 N 0.19 0.51 -0.90 5.20 6.46 0.10 -2.71 115.31 124.16 1pp8 h LEU 38 Ca 0.39 -0.87 0.00 0.00 -0.12 0.00 0.00 57.88 57.27 1pp8 h LEU 38 Cb 0.66 -0.16 0.00 0.00 -0.73 0.00 0.00 40.66 40.42 1pp8 h LEU 38 CO -0.55 1.34 0.01 1.57 -0.62 0.00 0.00 178.44 180.19 1pp8 n HIS 39 N -4.14 0.46 -0.04 1.25 -0.00 0.56 0.39 115.22 113.70 1pp8 n HIS 39 Ca -0.12 0.24 -0.14 0.00 0.46 0.00 0.00 57.72 58.15 1pp8 n HIS 39 Cb 0.77 -0.88 -0.11 0.00 -0.12 0.00 0.00 29.99 29.66 1pp8 n HIS 39 CO 0.00 0.00 0.00 1.98 0.46 0.00 0.00 176.34 178.78 1pp8 h MET 40 N 0.00 0.07 -0.32 1.57 1.85 -0.34 -3.09 114.93 114.67 1pp8 h MET 40 Ca 0.00 -0.06 0.07 0.00 -0.61 0.00 0.00 59.70 59.09 1pp8 h MET 40 Cb 0.02 0.02 -0.07 0.00 0.43 0.00 0.00 31.60 32.00 1pp8 h MET 40 CO 0.00 0.79 -0.12 -0.07 -0.40 0.00 0.00 176.91 177.11 1pp8 h LEU 41 N -0.64 -0.42 0.00 3.39 3.38 0.07 -1.10 115.31 120.00 1pp8 h LEU 41 Ca -0.01 0.11 0.00 0.00 0.09 0.00 0.00 57.88 58.07 1pp8 h LEU 41 Cb 0.81 0.25 0.00 0.00 0.09 0.00 0.00 40.66 41.81 1pp8 h LEU 41 CO 0.02 -0.15 0.00 0.18 0.09 0.00 0.00 178.44 178.57 1pp8 n LEU 42 N -5.30 0.00 -0.28 1.67 4.32 -0.61 -1.10 117.00 115.70 1pp8 n LEU 42 Ca 0.01 0.75 0.34 0.00 -0.02 0.00 0.00 56.01 57.08 1pp8 n LEU 42 Cb 0.22 -0.25 0.72 0.00 -1.62 0.00 0.00 43.42 42.49 1pp8 n LEU 42 CO 0.17 -0.25 1.31 0.71 -1.22 0.00 0.00 177.39 178.11 1pp8 h THR 43 N 0.00 0.31 -0.02 -5.08 1.35 -1.41 0.29 112.91 108.35 1pp8 h THR 43 Ca 0.00 0.00 -0.01 0.00 -0.55 0.00 0.00 66.41 65.85 1pp8 h THR 43 Cb 0.00 0.36 0.00 0.00 -1.73 0.00 0.00 68.15 66.78 1pp8 h THR 43 CO 0.00 0.00 -0.03 0.22 -0.25 0.00 0.00 175.52 175.46 1pp8 h TYR 44 N 0.00 0.07 0.00 4.73 5.03 0.15 -2.60 116.97 124.35 1pp8 h TYR 44 Ca 0.53 -0.02 0.00 0.00 2.58 0.00 0.00 58.73 61.82 1pp8 h TYR 44 Cb 2.30 -0.01 0.00 0.00 1.55 0.00 0.00 36.73 40.57 1pp8 h TYR 44 CO 0.00 0.61 0.00 -0.07 -1.32 0.00 0.00 178.16 177.38 1pp8 h LEU 45 N -0.49 0.00 0.10 2.82 3.38 0.62 0.10 115.31 121.84 1pp8 h LEU 45 Ca 0.00 0.00 0.02 0.00 0.09 0.00 0.00 57.88 57.99 1pp8 h LEU 45 Cb 0.60 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.32 1pp8 h LEU 45 CO 0.01 0.00 -0.23 0.00 0.09 0.00 0.00 178.44 178.31 1pp8 h ALA 46 N 2.00 -0.38 0.00 1.53 0.00 -0.72 -2.20 119.26 119.50 1pp8 h ALA 46 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1pp8 h ALA 46 Cb 0.02 0.38 0.00 0.00 0.00 0.00 0.00 17.79 18.18 1pp8 h ALA 46 CO 0.00 -0.76 0.00 0.43 0.00 0.00 0.00 179.25 178.92 1pp8 n SER 47 N -5.35 0.00 -3.41 0.00 7.64 0.33 -3.89 113.62 108.93 1pp8 n SER 47 Ca -0.06 0.17 -0.26 0.00 1.01 0.00 0.00 58.87 59.73 1pp8 n SER 47 Cb 0.27 -0.36 -0.09 0.00 -1.01 0.00 0.00 64.21 63.02 1pp8 n SER 47 CO 0.00 0.00 0.00 -3.20 -3.01 0.00 0.00 175.04 168.83 1pp8 n ASN 48 N -1.36 1.85 -0.35 6.43 4.05 -0.83 -4.89 115.26 120.17 1pp8 n ASN 48 Ca 0.08 -3.01 0.11 0.00 0.45 0.00 0.00 54.58 52.21 1pp8 n ASN 48 Cb 0.18 -0.66 0.29 0.00 1.23 0.00 0.00 39.78 40.82 1pp8 n ASN 48 CO 0.00 0.00 0.00 -0.65 -3.05 0.00 0.00 177.26 173.56 1pp8 h PRO 49 N 4.51 0.75 0.32 1.20 0.11 -1.67 0.33 132.00 137.55 1pp8 h PRO 49 Ca 0.16 -0.05 -0.01 0.00 0.11 0.00 0.00 66.00 66.21 1pp8 h PRO 49 Cb 0.78 -0.17 -0.01 0.00 0.11 0.00 0.00 31.00 31.71 1pp8 h PRO 49 CO 0.63 0.50 -0.32 0.37 -0.21 0.00 0.00 178.00 178.96 1pp8 h GLN 50 N 0.78 -0.62 -0.50 1.05 5.75 -1.90 -1.12 115.11 118.55 1pp8 h GLN 50 Ca 0.55 0.04 0.07 0.00 -0.15 0.00 0.00 58.65 59.17 1pp8 h GLN 50 Cb 0.80 0.14 -0.06 0.00 1.07 0.00 0.00 27.48 29.43 1pp8 h GLN 50 CO -0.36 -0.41 0.16 1.25 -2.65 0.00 0.00 178.83 176.81 1pp8 h LEU 51 N -0.64 0.14 -0.64 -2.39 6.46 -1.69 -2.45 115.31 114.10 1pp8 h LEU 51 Ca -0.04 0.07 0.06 0.00 -0.12 0.00 0.00 57.88 57.85 1pp8 h LEU 51 Cb 0.56 0.06 -0.08 0.00 -0.73 0.00 0.00 40.66 40.48 1pp8 h LEU 51 CO -0.04 0.10 -0.38 1.21 -0.62 0.00 0.00 178.44 178.72 1pp8 n GLU 52 N -5.03 -0.28 -0.59 1.25 0.00 0.11 0.56 120.64 116.66 1pp8 n GLU 52 Ca 0.05 1.32 0.46 0.00 0.00 0.00 0.00 57.16 59.00 1pp8 n GLU 52 Cb 0.22 -1.96 0.74 0.00 0.00 0.00 0.00 31.44 30.44 1pp8 n GLU 52 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.13 175.22 1pp8 n GLU 53 N -4.43 -0.02 -0.02 5.31 2.13 -0.47 -0.08 120.64 123.06 1pp8 n GLU 53 Ca 0.01 1.13 -0.15 0.00 0.66 0.00 0.00 57.16 58.81 1pp8 n GLU 53 Cb 0.17 -2.43 -0.11 0.00 0.27 0.00 0.00 31.44 29.34 1pp8 n GLU 53 CO 0.00 0.00 0.00 0.93 -0.41 0.00 0.00 177.13 177.65 1pp8 h GLU 54 N 0.00 0.22 0.16 5.31 5.08 0.07 -3.39 114.58 122.03 1pp8 h GLU 54 Ca 0.89 -0.22 -0.01 0.00 -1.00 0.00 0.00 59.36 59.03 1pp8 h GLU 54 Cb 3.28 0.06 0.00 0.00 0.50 0.00 0.00 28.75 32.59 1pp8 h GLU 54 CO -0.21 0.92 -0.08 0.82 -1.00 0.00 0.00 179.01 179.46 1pp8 h ILE 55 N -0.39 0.06 -0.24 3.13 2.04 -0.27 -3.50 117.51 118.34 1pp8 h ILE 55 Ca -0.03 -0.88 0.00 0.00 1.00 0.00 0.00 64.86 64.95 1pp8 h ILE 55 Cb 1.00 0.11 0.00 0.00 -0.74 0.00 0.00 36.82 37.20 1pp8 h ILE 55 CO 0.06 0.02 0.00 0.61 0.00 0.00 0.00 178.15 178.84 1pp8 n GLY 56 N 1.23 0.65 3.15 5.37 0.00 -0.42 -4.42 105.19 110.74 1pp8 n GLY 56 Ca -0.03 -0.65 0.04 0.00 0.00 0.00 0.00 46.02 45.39 1pp8 n GLY 56 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1pp8 s LEU 57 N -0.12 -1.53 0.14 0.99 1.98 -1.25 -0.04 118.68 118.86 1pp8 s LEU 57 Ca 0.00 0.46 -0.18 0.00 -2.89 0.00 0.00 54.13 51.52 1pp8 s LEU 57 Cb 0.00 2.08 0.04 0.00 0.66 0.00 0.00 46.19 48.97 1pp8 s LEU 57 CO 0.00 -0.28 0.47 -0.94 -1.89 0.00 0.00 176.35 173.71 1pp8 s SER 58 N 2.84 -0.32 -0.42 3.68 1.04 -0.00 -4.84 113.70 115.68 1pp8 s SER 58 Ca 0.14 -0.26 -0.29 0.00 0.48 0.00 0.00 55.95 56.03 1pp8 s SER 58 Cb -0.12 0.52 0.01 0.00 0.10 0.00 0.00 66.02 66.54 1pp8 s SER 58 CO -0.24 -0.91 1.33 0.26 0.98 0.00 0.00 173.24 174.66 1pp8 s TRP 59 N -3.80 2.54 -0.07 5.02 0.23 -1.26 -0.95 118.94 120.65 1pp8 s TRP 59 Ca 0.03 0.71 -0.15 0.00 -2.03 0.00 0.00 56.10 54.66 1pp8 s TRP 59 Cb 0.01 -4.29 -0.10 0.00 0.03 0.00 0.00 33.47 29.11 1pp8 s TRP 59 CO -0.11 -1.77 0.58 0.82 0.96 0.00 0.00 176.95 177.43 1pp8 h ILE 60 N 6.35 0.46 0.00 2.03 2.04 -1.77 -3.46 117.51 123.16 1pp8 h ILE 60 Ca -0.26 -1.04 0.00 0.00 1.00 0.00 0.00 64.86 64.56 1pp8 h ILE 60 Cb 1.09 0.80 0.00 0.00 -0.74 0.00 0.00 36.82 37.98 1pp8 h ILE 60 CO 1.09 0.13 0.00 -1.54 0.00 0.00 0.00 178.15 177.83 1pp8 n SER 61 N -4.93 0.00 -0.96 1.72 3.41 -1.01 -4.99 113.62 106.85 1pp8 n SER 61 Ca -0.06 0.00 0.01 0.00 -0.26 0.00 0.00 58.87 58.56 1pp8 n SER 61 Cb 0.20 0.00 -0.00 0.00 -0.26 0.00 0.00 64.21 64.15 1pp8 n SER 61 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 1pp8 n ASP 62 N 0.00 0.27 0.00 4.04 8.00 -1.26 -4.70 116.55 122.89 1pp8 n ASP 62 Ca 0.00 -1.88 0.00 0.00 0.71 0.00 0.00 54.79 53.62 1pp8 n ASP 62 Cb 0.00 -0.15 0.00 0.00 -0.02 0.00 0.00 41.12 40.95 1pp8 n ASP 62 CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 1pp8 n THR 63 N 0.20 0.00 -4.15 -3.53 -2.24 -1.26 -3.58 114.28 99.72 1pp8 n THR 63 Ca -0.01 0.00 -0.22 0.00 -2.27 0.00 0.00 64.05 61.54 1pp8 n THR 63 Cb 0.85 0.00 -0.06 0.00 -2.10 0.00 0.00 70.33 69.03 1pp8 n THR 63 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 1pp8 s GLU 64 N -0.92 2.61 0.22 -0.78 2.02 -1.26 -4.54 118.70 116.05 1pp8 s GLU 64 Ca 0.00 -1.27 -0.20 0.00 0.02 0.00 0.00 54.97 53.52 1pp8 s GLU 64 Cb 0.00 -2.36 0.04 0.00 0.10 0.00 0.00 34.13 31.91 1pp8 s GLU 64 CO 0.00 0.33 0.62 -0.59 0.02 0.00 0.00 175.26 175.64 1pp8 s PHE 65 N -2.26 -0.25 0.13 1.61 -0.71 0.48 -2.32 117.98 114.67 1pp8 s PHE 65 Ca 0.34 -0.11 0.03 0.00 -1.04 0.00 0.00 56.93 56.14 1pp8 s PHE 65 Cb -0.06 0.56 -0.04 0.00 -1.21 0.00 0.00 43.02 42.26 1pp8 s PHE 65 CO 0.23 -1.03 -0.07 -1.59 -1.34 0.00 0.00 175.22 171.42 1pp8 s LYS 66 N -3.86 0.96 0.03 1.99 -2.85 -0.13 0.12 119.74 116.01 1pp8 s LYS 66 Ca 0.08 -1.41 -0.28 0.00 -1.00 0.00 0.00 55.97 53.36 1pp8 s LYS 66 Cb -0.03 -0.38 0.09 0.00 -2.06 0.00 0.00 37.83 35.45 1pp8 s LYS 66 CO -0.01 0.00 0.93 0.00 0.10 0.00 0.00 175.35 176.37 1pp8 s MET 67 N -3.81 0.89 -0.39 1.78 0.23 0.21 -0.82 119.30 117.39 1pp8 s MET 67 Ca 0.15 -0.39 -0.14 0.00 -1.03 0.00 0.00 55.69 54.28 1pp8 s MET 67 Cb 0.04 0.37 0.02 0.00 -1.53 0.00 0.00 34.83 33.73 1pp8 s MET 67 CO -0.01 -0.40 0.27 0.15 -2.03 0.00 0.00 175.02 173.00 1pp8 s LYS 68 N -3.12 3.00 0.00 3.16 1.02 0.95 -0.12 119.74 124.63 1pp8 s LYS 68 Ca 0.07 -0.99 0.00 0.00 0.02 0.00 0.00 55.97 55.08 1pp8 s LYS 68 Cb -0.01 -3.89 0.00 0.00 -0.52 0.00 0.00 37.83 33.41 1pp8 s LYS 68 CO -0.06 -0.70 0.57 1.63 -0.92 0.00 0.00 175.35 175.88 1pp8 n LYS 69 N 5.11 0.00 0.00 1.68 5.02 -1.25 -2.01 118.16 126.71 1pp8 n LYS 69 Ca -0.11 0.08 0.00 0.00 -2.02 0.00 0.00 58.31 56.26 1pp8 n LYS 69 Cb 0.47 -1.07 0.00 0.00 -0.02 0.00 0.00 35.03 34.41 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 -0.75 0.00 0.14 1.97 5.02 -1.26 0.20 118.16 123.49 1pp8 n LYS 70 Ca 0.00 0.00 -0.06 0.00 -2.02 0.00 0.00 58.31 56.23 1pp8 n LYS 70 Cb 0.00 0.00 -0.03 0.00 -0.02 0.00 0.00 35.03 34.98 1pp8 n LYS 70 CO 0.00 0.00 0.00 -0.91 -0.52 0.00 0.00 177.40 175.97 1pp8 h ASN 71 N 0.00 -0.33 -0.56 4.39 4.21 -1.78 -3.09 115.58 118.42 1pp8 h ASN 71 Ca 0.00 0.01 0.10 0.00 1.21 0.00 0.00 56.30 57.62 1pp8 h ASN 71 Cb 0.00 0.09 -0.11 0.00 -1.12 0.00 0.00 38.32 37.18 1pp8 h ASN 71 CO 0.00 -0.12 -0.32 0.58 -1.29 0.00 0.00 177.43 176.28 1pp8 h VAL 72 N -0.63 0.19 0.00 2.81 2.07 0.30 0.97 116.25 121.95 1pp8 h VAL 72 Ca -0.04 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.48 1pp8 h VAL 72 Cb 0.30 0.19 0.00 0.00 -1.52 0.00 0.00 31.29 30.26 1pp8 h VAL 72 CO 0.07 0.00 0.19 0.00 0.02 0.00 0.00 177.57 177.84 1pp8 n ALA 73 N -3.12 0.72 -0.06 1.67 0.00 -0.59 -0.58 120.51 118.55 1pp8 n ALA 73 Ca 0.04 0.07 -0.05 0.00 0.00 0.00 0.00 53.44 53.50 1pp8 n ALA 73 Cb 0.35 -0.82 -0.15 0.00 0.00 0.00 0.00 19.45 18.83 1pp8 n ALA 73 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1pp8 n LEU 74 N -1.74 0.24 0.04 0.00 4.77 0.33 -2.41 117.00 118.24 1pp8 n LEU 74 Ca -0.01 0.11 -0.12 0.00 -0.03 0.00 0.00 56.01 55.97 1pp8 n LEU 74 Cb 0.20 0.32 -0.08 0.00 -2.33 0.00 0.00 43.42 41.52 1pp8 n LEU 74 CO 0.03 0.36 0.47 0.58 -1.33 0.00 0.00 177.39 177.50 1pp8 h VAL 75 N 0.00 1.01 0.00 4.08 2.07 -0.56 -1.32 116.25 121.53 1pp8 h VAL 75 Ca -0.38 -1.15 0.00 0.00 0.82 0.00 0.00 66.70 66.00 1pp8 h VAL 75 Cb 1.93 1.66 0.00 0.00 -1.52 0.00 0.00 31.29 33.36 1pp8 h VAL 75 CO 0.03 0.25 0.25 0.24 0.02 0.00 0.00 177.57 178.36 1pp8 h MET 76 N -0.77 0.00 -5.72 1.57 2.86 -1.30 -3.45 114.93 108.11 1pp8 h MET 76 Ca -0.02 0.00 -0.14 0.00 -2.06 0.00 0.00 59.70 57.49 1pp8 h MET 76 Cb 0.54 0.00 0.01 0.00 0.06 0.00 0.00 31.60 32.21 1pp8 h MET 76 CO 0.03 0.00 -0.72 0.41 1.06 0.00 0.00 176.91 177.69 1pp8 n GLY 77 N -1.27 -0.85 3.33 8.32 0.00 -0.50 -4.96 105.19 109.26 1pp8 n GLY 77 Ca -0.01 1.18 0.02 0.00 0.00 0.00 0.00 46.02 47.22 1pp8 n GLY 77 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1pp8 s ILE 78 N -2.28 -0.21 0.26 -0.61 2.07 -1.01 -5.02 121.20 114.39 1pp8 s ILE 78 Ca 0.27 0.00 -0.30 0.00 -1.41 0.00 0.00 60.65 59.21 1pp8 s ILE 78 Cb -0.06 -1.00 -0.14 0.00 0.13 0.00 0.00 42.46 41.40 1pp8 s ILE 78 CO 0.81 0.00 1.26 2.29 -1.91 0.00 0.00 174.94 177.39 1pp8 n LYS 79 N 4.52 1.77 0.00 3.50 2.85 -1.26 -4.59 118.16 124.95 1pp8 n LYS 79 Ca -0.09 0.63 0.00 0.00 -1.05 0.00 0.00 58.31 57.80 1pp8 n LYS 79 Cb 0.55 -2.19 0.00 0.00 -0.65 0.00 0.00 35.03 32.74 1pp8 n LYS 79 CO 0.00 0.00 0.00 -0.11 -0.05 0.00 0.00 177.40 177.24 1pp8 n LEU 80 N 1.67 0.00 -0.25 -5.58 -0.00 -1.26 -1.58 117.00 110.01 1pp8 n LEU 80 Ca 0.10 0.34 -0.03 0.00 -0.00 0.00 0.00 56.01 56.42 1pp8 n LEU 80 Cb 0.31 -0.13 -0.01 0.00 -0.00 0.00 0.00 43.42 43.59 1pp8 n LEU 80 CO 0.62 -0.13 0.33 -3.20 -0.00 0.00 0.00 177.39 175.01 1pp8 n ASN 81 N -1.79 -0.52 -0.09 1.96 2.85 -1.26 0.28 115.26 116.68 1pp8 n ASN 81 Ca 0.00 1.09 -0.07 0.00 -0.11 0.00 0.00 54.58 55.49 1pp8 n ASN 81 Cb 0.00 -0.20 0.01 0.00 1.24 0.00 0.00 39.78 40.83 1pp8 n ASN 81 CO 0.00 0.00 0.00 0.71 -2.11 0.00 0.00 177.26 175.86 1pp8 h THR 82 N 0.00 0.91 -0.45 -0.44 1.35 -1.64 0.79 112.91 113.44 1pp8 h THR 82 Ca 0.16 -0.09 0.02 0.00 -0.55 0.00 0.00 66.41 65.95 1pp8 h THR 82 Cb 0.32 0.63 -0.02 0.00 -1.73 0.00 0.00 68.15 67.34 1pp8 h THR 82 CO -0.60 0.05 0.30 0.25 -0.25 0.00 0.00 175.52 175.27 1pp8 h LEU 83 N 0.26 0.47 0.37 3.87 7.12 0.43 0.87 115.31 128.70 1pp8 h LEU 83 Ca 0.15 -0.01 -0.02 0.00 0.13 0.00 0.00 57.88 58.13 1pp8 h LEU 83 Cb 0.12 -0.11 0.00 0.00 -0.53 0.00 0.00 40.66 40.14 1pp8 h LEU 83 CO -0.15 0.33 -0.18 -1.13 -0.13 0.00 0.00 178.44 177.18 1pp8 h ASN 84 N 0.55 -0.42 -0.48 1.25 -1.24 0.24 -1.46 115.58 114.02 1pp8 h ASN 84 Ca 0.17 -0.09 -0.11 0.00 0.71 0.00 0.00 56.30 56.99 1pp8 h ASN 84 Cb 0.03 0.11 -0.02 0.00 0.73 0.00 0.00 38.32 39.17 1pp8 h ASN 84 CO -0.04 -0.16 -0.10 1.62 -1.29 0.00 0.00 177.43 177.46 1pp8 h VAL 85 N -0.68 1.27 -0.58 2.57 3.04 0.17 -1.51 116.25 120.52 1pp8 h VAL 85 Ca -0.05 -1.24 0.12 0.00 -1.01 0.00 0.00 66.70 64.52 1pp8 h VAL 85 Cb 0.48 0.98 -0.10 0.00 -2.01 0.00 0.00 31.29 30.64 1pp8 h VAL 85 CO 0.08 0.43 -0.08 0.78 -1.01 0.00 0.00 177.57 177.78 1pp8 h ASN 86 N 0.85 -0.41 -0.55 3.17 2.35 0.74 0.23 115.58 121.96 1pp8 h ASN 86 Ca 0.14 0.16 0.08 0.00 -0.55 0.00 0.00 56.30 56.13 1pp8 h ASN 86 Cb 0.65 0.31 -0.10 0.00 0.05 0.00 0.00 38.32 39.23 1pp8 h ASN 86 CO 0.04 -0.15 -0.44 -0.07 -1.65 0.00 0.00 177.43 175.16 1pp8 h LEU 87 N 0.05 -1.51 0.00 1.61 3.38 -0.20 0.02 115.31 118.66 1pp8 h LEU 87 Ca 0.29 0.24 0.00 0.00 0.09 0.00 0.00 57.88 58.50 1pp8 h LEU 87 Cb 0.46 0.68 0.00 0.00 0.09 0.00 0.00 40.66 41.88 1pp8 h LEU 87 CO -0.55 -0.34 -0.29 0.08 0.09 0.00 0.00 178.44 177.42 1pp8 h ARG 88 N -0.25 0.00 -0.21 1.13 0.11 -1.19 -2.61 114.38 111.37 1pp8 h ARG 88 Ca 0.17 0.00 -0.11 0.00 0.10 0.00 0.00 59.98 60.14 1pp8 h ARG 88 Cb 0.57 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.63 1pp8 h ARG 88 CO -0.67 0.00 -0.34 -0.44 0.10 0.00 0.00 179.97 178.63 1pp8 h ASP 89 N 0.00 0.45 -0.70 0.08 3.45 0.12 -2.58 116.42 117.24 1pp8 h ASP 89 Ca 0.00 -0.18 -0.31 0.00 0.43 0.00 0.00 57.03 56.98 1pp8 h ASP 89 Cb 0.92 -0.12 -0.18 0.00 -0.56 0.00 0.00 39.33 39.38 1pp8 h ASP 89 CO 0.00 0.76 0.31 0.18 -1.57 0.00 0.00 179.24 178.92 1pp8 n LEU 90 N -4.07 5.67 -3.32 1.55 4.77 -0.31 -4.97 117.00 116.31 1pp8 n LEU 90 Ca -0.01 -3.50 -0.14 0.00 -0.03 0.00 0.00 56.01 52.33 1pp8 n LEU 90 Cb 0.46 -0.74 0.01 0.00 -2.33 0.00 0.00 43.42 40.81 1pp8 n LEU 90 CO 0.43 1.01 0.03 0.00 -1.33 0.00 0.00 177.39 177.52 1pp8 n ALA 91 N -0.81 -2.66 -3.43 -1.18 0.00 -0.97 -5.01 120.51 106.45 1pp8 n ALA 91 Ca 0.45 0.14 -0.34 0.00 0.00 0.00 0.00 53.44 53.68 1pp8 n ALA 91 Cb 1.37 -1.70 -0.14 0.00 0.00 0.00 0.00 19.45 18.98 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 -2.74 2.92 -0.13 0.00 0.08 -0.98 -4.62 117.98 112.51 1pp8 s PHE 92 Ca 0.09 -0.89 -0.14 0.00 0.12 0.00 0.00 56.93 56.12 1pp8 s PHE 92 Cb -0.02 -2.03 -0.05 0.00 -0.57 0.00 0.00 43.02 40.35 1pp8 s PHE 92 CO 0.82 -0.47 0.31 -1.83 -0.10 0.00 0.00 175.22 173.95 1pp8 s GLU 93 N 1.18 4.14 -0.22 0.44 -1.05 0.41 -4.63 118.70 118.96 1pp8 s GLU 93 Ca 0.02 0.14 -0.19 0.00 -0.15 0.00 0.00 54.97 54.79 1pp8 s GLU 93 Cb -0.14 -3.37 -0.03 0.00 -0.44 0.00 0.00 34.13 30.14 1pp8 s GLU 93 CO -0.02 0.35 0.56 -1.14 0.95 0.00 0.00 175.26 175.97 1pp8 s GLN 94 N 0.11 4.16 0.00 -4.83 0.74 -1.26 -1.70 119.66 116.88 1pp8 s GLN 94 Ca 0.18 0.47 0.02 0.00 0.05 0.00 0.00 55.36 56.08 1pp8 s GLN 94 Cb -0.14 -3.60 0.02 0.00 1.10 0.00 0.00 33.01 30.40 1pp8 s GLN 94 CO 0.06 -0.26 0.61 1.47 -0.55 0.00 0.00 175.29 176.62 1pp8 n LEU 95 N 5.16 1.28 -3.91 3.68 -0.00 -0.04 -4.89 117.00 118.29 1pp8 n LEU 95 Ca -0.03 -1.08 -0.30 0.00 -0.00 0.00 0.00 56.01 54.60 1pp8 n LEU 95 Cb 0.50 -0.00 -0.14 0.00 -0.00 0.00 0.00 43.42 43.77 1pp8 n LEU 95 CO 0.42 0.30 -0.22 -1.58 -0.00 0.00 0.00 177.39 176.31 1pp8 s GLN 96 N -0.26 1.72 0.21 1.47 2.00 -1.22 -4.94 119.66 118.64 1pp8 s GLN 96 Ca 0.03 -2.34 0.12 0.00 -2.00 0.00 0.00 55.36 51.17 1pp8 s GLN 96 Cb 0.02 -3.07 0.42 0.00 0.80 0.00 0.00 33.01 31.18 1pp8 s GLN 96 CO 0.03 -1.09 0.49 0.72 -0.50 0.00 0.00 175.29 174.94 1pp8 n HIS 97 N 3.43 0.00 0.00 1.67 8.25 -1.26 -3.77 115.22 123.54 1pp8 n HIS 97 Ca 0.05 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.51 1pp8 n HIS 97 Cb 0.34 -0.12 0.00 0.00 1.12 0.00 0.00 29.99 31.33 1pp8 n HIS 97 CO 0.00 0.00 0.00 -3.47 0.64 0.00 0.00 176.34 173.51 1pp8 n ASP 98 N -2.20 0.00 -4.06 0.41 2.03 -1.26 -5.03 116.55 106.44 1pp8 n ASP 98 Ca 0.11 0.00 -0.35 0.00 0.52 0.00 0.00 54.79 55.07 1pp8 n ASP 98 Cb 0.60 0.00 -0.09 0.00 -0.72 0.00 0.00 41.12 40.91 1pp8 n ASP 98 CO 0.00 0.00 0.00 -0.54 -1.92 0.00 0.00 177.20 174.74 1pp8 s LYS 99 N -1.87 2.79 -0.58 -0.67 1.02 -0.50 -4.79 119.74 115.15 1pp8 s LYS 99 Ca 0.00 -2.97 -0.03 0.00 0.02 0.00 0.00 55.97 53.00 1pp8 s LYS 99 Cb 0.00 -3.75 -0.03 0.00 -0.52 0.00 0.00 37.83 33.53 1pp8 s LYS 99 CO 0.00 -1.22 0.50 0.41 -0.92 0.00 0.00 175.35 174.12 1pp8 n GLY 100 N 2.76 -0.18 3.04 -3.33 0.00 -1.26 -3.37 105.19 102.86 1pp8 n GLY 100 Ca 0.15 0.14 0.00 0.00 0.00 0.00 0.00 46.02 46.31 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 -1.31 2.83 3.62 -0.02 0.00 -1.26 -5.00 105.19 104.05 1pp8 n GLY 101 Ca -0.05 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.59 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 -2.21 3.27 0.33 1.61 0.52 -1.22 -3.74 118.94 117.49 1pp8 s TRP 102 Ca 0.00 0.23 0.10 0.00 0.02 0.00 0.00 56.10 56.45 1pp8 s TRP 102 Cb 0.00 -2.37 -0.06 0.00 -1.15 0.00 0.00 33.47 29.89 1pp8 s TRP 102 CO 0.00 -0.08 -0.10 0.99 0.02 0.00 0.00 176.95 177.78 1pp8 s THR 103 N 1.51 2.38 0.03 2.01 2.01 0.82 -1.41 115.64 122.99 1pp8 s THR 103 Ca 0.09 -2.22 0.06 0.00 0.31 0.00 0.00 61.69 59.93 1pp8 s THR 103 Cb -0.15 -2.59 -0.02 0.00 0.01 0.00 0.00 72.50 69.75 1pp8 s THR 103 CO 0.08 -0.25 -0.16 -1.10 -0.69 0.00 0.00 174.62 172.50 1pp8 s GLN 104 N -3.60 1.15 0.22 4.92 -0.21 -1.25 -0.62 119.66 120.27 1pp8 s GLN 104 Ca 0.32 -0.75 -0.02 0.00 0.02 0.00 0.00 55.36 54.93 1pp8 s GLN 104 Cb 0.00 -1.18 0.01 0.00 1.00 0.00 0.00 33.01 32.84 1pp8 s GLN 104 CO 0.17 0.30 0.32 0.91 -2.12 0.00 0.00 175.29 174.87 1pp8 n TRP 105 N 2.10 -1.14 -3.60 0.91 7.02 0.33 -0.86 117.44 122.21 1pp8 n TRP 105 Ca -0.17 -1.40 -0.09 0.00 -1.02 0.00 0.00 57.50 54.82 1pp8 n TRP 105 Cb 0.54 0.36 -0.05 0.00 -2.42 0.00 0.00 31.31 29.74 1pp8 n TRP 105 CO 0.00 0.00 0.00 0.21 -2.02 0.00 0.00 177.69 175.88 1pp8 s LYS 106 N -2.44 0.48 -0.01 -0.99 2.20 -0.69 -0.39 119.74 117.90 1pp8 s LYS 106 Ca 0.17 0.17 0.02 0.00 -0.36 0.00 0.00 55.97 55.97 1pp8 s LYS 106 Cb -0.01 0.23 0.00 0.00 -1.51 0.00 0.00 37.83 36.54 1pp8 s LYS 106 CO 0.12 -0.14 -0.07 0.50 -0.36 0.00 0.00 175.35 175.41 1pp8 s ARG 107 N -0.90 0.64 0.27 4.03 3.52 -1.26 -0.45 118.95 124.80 1pp8 s ARG 107 Ca 0.01 -0.22 -0.27 0.00 -0.13 0.00 0.00 55.73 55.11 1pp8 s ARG 107 Cb -0.01 -0.62 -0.15 0.00 -1.56 0.00 0.00 34.95 32.60 1pp8 s ARG 107 CO -0.01 0.10 0.70 -1.13 -0.81 0.00 0.00 175.30 174.15 1pp8 n SER 108 N 3.15 -0.28 0.00 -2.12 3.41 -1.26 0.90 113.62 117.42 1pp8 n SER 108 Ca -0.16 1.11 0.00 0.00 -0.26 0.00 0.00 58.87 59.56 1pp8 n SER 108 Cb 0.56 -1.10 0.00 0.00 -0.26 0.00 0.00 64.21 63.41 1pp8 n SER 108 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1pp8 n GLY 109 N 1.68 0.00 3.45 5.00 0.00 -1.26 -4.72 105.19 109.34 1pp8 n GLY 109 Ca 0.14 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.72 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 -0.74 2.98 0.44 1.61 5.36 0.26 -3.09 117.98 124.80 1pp8 s PHE 110 Ca 0.00 -1.12 0.04 0.00 -0.96 0.00 0.00 56.93 54.89 1pp8 s PHE 110 Cb 0.00 -4.27 -0.04 0.00 -0.34 0.00 0.00 43.02 38.37 1pp8 s PHE 110 CO 0.00 -1.52 0.03 0.95 -1.46 0.00 0.00 175.22 173.21 1pp8 s THR 111 N 3.09 1.41 0.60 0.12 -4.23 -0.78 -4.52 115.64 111.33 1pp8 s THR 111 Ca 0.28 -2.00 0.29 0.00 -1.18 0.00 0.00 61.69 59.08 1pp8 s THR 111 Cb -0.10 -2.56 0.42 0.00 1.34 0.00 0.00 72.50 71.60 1pp8 s THR 111 CO -0.03 0.00 1.47 0.03 -0.54 0.00 0.00 174.62 175.56 1pp8 h ARG 112 N 1.64 0.00 -0.09 3.99 3.08 -1.92 -3.06 114.38 118.02 1pp8 h ARG 112 Ca -0.43 0.00 -0.18 0.00 0.07 0.00 0.00 59.98 59.45 1pp8 h ARG 112 Cb 1.28 0.00 -0.22 0.00 0.08 0.00 0.00 29.97 31.11 1pp8 h ARG 112 CO 0.74 0.00 -0.52 0.27 -1.07 0.00 0.00 179.97 179.39 1pp8 n ASN 113 N -3.41 -0.51 -3.64 7.04 0.23 -1.26 -4.90 115.26 108.80 1pp8 n ASN 113 Ca 0.21 -2.11 -0.06 0.00 -0.53 0.00 0.00 54.58 52.10 1pp8 n ASN 113 Cb 1.35 0.27 -0.07 0.00 -2.08 0.00 0.00 39.78 39.26 1pp8 n ASN 113 CO 0.00 0.00 0.00 -0.94 -0.93 0.00 0.00 177.26 175.39 1pp8 s SER 114 N -1.73 -0.48 -0.33 0.53 1.04 -1.16 -5.12 113.70 106.45 1pp8 s SER 114 Ca 0.13 0.83 0.03 0.00 0.48 0.00 0.00 55.95 57.43 1pp8 s SER 114 Cb 0.32 1.03 0.10 0.00 0.10 0.00 0.00 66.02 67.57 1pp8 s SER 114 CO -0.09 -0.14 0.05 -0.69 0.98 0.00 0.00 173.24 173.36 1pp8 s VAL 115 N 0.81 2.01 0.09 5.02 1.01 -1.26 -1.87 120.40 126.21 1pp8 s VAL 115 Ca -0.03 -2.13 -0.30 0.00 0.00 0.00 0.00 61.98 59.52 1pp8 s VAL 115 Cb -0.04 -2.47 -0.06 0.00 0.00 0.00 0.00 36.38 33.81 1pp8 s VAL 115 CO -0.11 -0.58 1.09 0.12 0.00 0.00 0.00 175.10 175.62 1pp8 s PHE 116 N 1.05 3.58 -0.25 5.22 5.36 -1.18 -5.01 117.98 126.76 1pp8 s PHE 116 Ca 0.10 1.54 0.00 0.00 -0.96 0.00 0.00 56.93 57.61 1pp8 s PHE 116 Cb -0.19 -3.26 0.04 0.00 -0.34 0.00 0.00 43.02 39.27 1pp8 s PHE 116 CO -0.11 -0.60 -0.10 -1.21 -1.46 0.00 0.00 175.22 171.75 1pp8 s GLU 117 N 0.50 2.62 0.00 10.12 0.41 -1.26 -4.85 118.70 126.24 1pp8 s GLU 117 Ca 0.53 -1.11 0.00 0.00 -0.41 0.00 0.00 54.97 53.98 1pp8 s GLU 117 Cb -0.27 -2.90 0.00 0.00 -1.78 0.00 0.00 34.13 29.18 1pp8 s GLU 117 CO 0.31 -0.45 0.00 -3.47 -0.49 0.00 0.00 175.26 171.16