#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pp8 n SER 3 N 0.00 0.00 -0.09 1.67 7.64 -1.26 -2.26 113.62 119.31 1pp8 n SER 3 Ca 0.00 -0.03 -0.10 0.00 1.01 0.00 0.00 58.87 59.75 1pp8 n SER 3 Cb 0.00 -0.24 -0.03 0.00 -1.01 0.00 0.00 64.21 62.93 1pp8 n SER 3 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 1pp8 n ASN 4 N -1.24 1.94 0.27 6.43 3.02 -1.26 -4.26 115.26 120.16 1pp8 n ASN 4 Ca 0.08 0.34 0.16 0.00 -0.03 0.00 0.00 54.58 55.13 1pp8 n ASN 4 Cb 0.11 -0.75 0.80 0.00 -0.61 0.00 0.00 39.78 39.33 1pp8 n ASN 4 CO 0.00 0.00 0.00 -0.78 -2.62 0.00 0.00 177.26 173.86 1pp8 h ASP 5 N -1.00 0.00 -0.64 6.41 1.82 -1.99 2.34 116.42 123.36 1pp8 h ASP 5 Ca -0.04 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.60 1pp8 h ASP 5 Cb 1.03 0.00 -0.03 0.00 0.68 0.00 0.00 39.33 41.01 1pp8 h ASP 5 CO -0.03 0.00 0.41 0.25 -1.61 0.00 0.00 179.24 178.26 1pp8 h LEU 6 N 0.00 0.76 -0.08 2.28 7.12 -1.64 -0.17 115.31 123.58 1pp8 h LEU 6 Ca 0.05 -0.03 -0.00 0.00 0.13 0.00 0.00 57.88 58.03 1pp8 h LEU 6 Cb 0.77 -0.19 -0.00 0.00 -0.53 0.00 0.00 40.66 40.71 1pp8 h LEU 6 CO -0.00 0.57 0.05 -0.08 -0.13 0.00 0.00 178.44 178.85 1pp8 h GLU 7 N 0.89 0.11 0.00 1.25 4.81 0.38 -3.06 114.58 118.96 1pp8 h GLU 7 Ca 0.24 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.45 1pp8 h GLU 7 Cb -0.06 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.29 1pp8 h GLU 7 CO -0.05 0.14 0.00 0.00 -0.73 0.00 0.00 179.01 178.37 1pp8 n ALA 8 N -2.15 0.00 -0.15 2.92 0.00 -0.10 -1.18 120.51 119.86 1pp8 n ALA 8 Ca -0.06 0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.50 1pp8 n ALA 8 Cb 0.06 0.05 0.22 0.00 0.00 0.00 0.00 19.45 19.79 1pp8 n ALA 8 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1pp8 n SER 9 N -0.26 0.09 0.00 0.00 2.88 -1.03 -1.19 113.62 114.11 1pp8 n SER 9 Ca 0.00 0.76 0.00 0.00 -1.33 0.00 0.00 58.87 58.30 1pp8 n SER 9 Cb 0.00 -0.34 0.00 0.00 -0.75 0.00 0.00 64.21 63.12 1pp8 n SER 9 CO 0.00 0.00 0.00 0.49 -1.23 0.00 0.00 175.04 174.30 1pp8 n PHE 10 N -4.18 0.00 -0.38 0.66 0.99 -0.64 -0.88 117.46 113.03 1pp8 n PHE 10 Ca 0.15 0.00 -0.02 0.00 -0.00 0.00 0.00 57.45 57.58 1pp8 n PHE 10 Cb 0.51 -0.04 0.03 0.00 -1.00 0.00 0.00 39.48 38.98 1pp8 n PHE 10 CO 0.00 0.00 0.00 0.25 -0.00 0.00 0.00 176.76 177.01 1pp8 n THR 11 N -0.61 -0.52 -0.00 4.37 -2.24 -0.32 -1.14 114.28 113.82 1pp8 n THR 11 Ca 0.00 2.28 -0.13 0.00 -2.27 0.00 0.00 64.05 63.93 1pp8 n THR 11 Cb 0.00 -2.99 -0.08 0.00 -2.10 0.00 0.00 70.33 65.16 1pp8 n THR 11 CO 0.00 0.00 0.00 -1.28 -0.57 0.00 0.00 175.07 173.22 1pp8 h SER 12 N 0.00 -1.41 0.00 3.42 0.87 -1.23 0.92 113.55 116.11 1pp8 h SER 12 Ca 0.32 0.17 0.00 0.00 -1.23 0.00 0.00 61.79 61.05 1pp8 h SER 12 Cb 0.56 0.55 0.00 0.00 -0.44 0.00 0.00 62.40 63.07 1pp8 h SER 12 CO -0.96 -0.40 0.00 -1.14 -0.53 0.00 0.00 176.83 173.80 1pp8 n ARG 13 N -4.91 0.20 -4.29 2.24 0.63 -0.06 -4.63 116.66 105.85 1pp8 n ARG 13 Ca -0.05 0.00 -0.33 0.00 -0.92 0.00 0.00 57.85 56.54 1pp8 n ARG 13 Cb 0.31 -1.01 -0.09 0.00 0.45 0.00 0.00 32.46 32.13 1pp8 n ARG 13 CO 0.00 0.00 0.00 -0.51 -2.51 0.00 0.00 177.63 174.61 1pp8 s LEU 14 N -1.01 3.60 0.13 6.15 1.43 0.32 -5.05 118.68 124.25 1pp8 s LEU 14 Ca 0.00 0.07 -0.31 0.00 -1.03 0.00 0.00 54.13 52.86 1pp8 s LEU 14 Cb 0.00 -1.98 -0.11 0.00 0.03 0.00 0.00 46.19 44.13 1pp8 s LEU 14 CO 0.00 0.31 1.82 -2.65 0.23 0.00 0.00 176.35 176.07 1pp8 n PRO 15 N 1.63 2.78 -0.67 1.29 -0.02 -1.26 -4.81 135.00 133.93 1pp8 n PRO 15 Ca -0.16 1.01 0.51 0.00 -2.02 0.00 0.00 63.50 62.84 1pp8 n PRO 15 Cb 0.53 -2.90 0.80 0.00 -0.02 0.00 0.00 33.50 31.91 1pp8 n PRO 15 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 1pp8 h PRO 16 N 8.28 0.00 0.35 0.52 0.11 -1.90 0.28 132.00 139.64 1pp8 h PRO 16 Ca -0.46 -0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.63 1pp8 h PRO 16 Cb 1.22 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.33 1pp8 h PRO 16 CO 0.95 0.00 -0.17 1.05 -0.21 0.00 0.00 178.00 179.62 1pp8 h GLU 17 N 0.00 -0.45 -0.10 1.05 4.11 -1.99 -1.40 114.58 115.80 1pp8 h GLU 17 Ca 0.94 0.03 0.04 0.00 0.07 0.00 0.00 59.36 60.44 1pp8 h GLU 17 Cb 3.62 0.10 -0.06 0.00 0.50 0.00 0.00 28.75 32.91 1pp8 h GLU 17 CO -0.10 -0.13 -0.32 0.82 0.07 0.00 0.00 179.01 179.35 1pp8 h ILE 18 N -0.89 0.29 0.00 -1.06 5.03 -0.81 0.84 117.51 120.90 1pp8 h ILE 18 Ca -0.05 0.00 0.00 0.00 -0.12 0.00 0.00 64.86 64.69 1pp8 h ILE 18 Cb 0.53 0.29 0.00 0.00 -3.03 0.00 0.00 36.82 34.61 1pp8 h ILE 18 CO 0.08 0.00 0.00 0.52 -0.68 0.00 0.00 178.15 178.07 1pp8 n VAL 19 N -5.41 0.00 -0.23 1.67 0.31 -0.99 -0.91 118.33 112.77 1pp8 n VAL 19 Ca -0.04 1.48 -0.02 0.00 -0.01 0.00 0.00 64.34 65.75 1pp8 n VAL 19 Cb 0.33 -2.08 0.00 0.00 -0.91 0.00 0.00 33.84 31.17 1pp8 n VAL 19 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1pp8 n ALA 20 N -2.74 -0.16 -0.42 3.52 0.00 -0.53 0.14 120.51 120.32 1pp8 n ALA 20 Ca 0.00 0.56 0.00 0.00 0.00 0.00 0.00 53.44 54.00 1pp8 n ALA 20 Cb 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 19.45 19.24 1pp8 n ALA 20 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1pp8 n ALA 21 N -3.66 -0.04 -0.46 0.00 0.00 0.23 -1.15 120.51 115.43 1pp8 n ALA 21 Ca 0.05 0.00 0.42 0.00 0.00 0.00 0.00 53.44 53.90 1pp8 n ALA 21 Cb 0.21 0.34 0.77 0.00 0.00 0.00 0.00 19.45 20.77 1pp8 n ALA 21 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1pp8 h LEU 22 N 0.00 0.00 -0.49 0.00 4.07 0.66 -1.51 115.31 118.04 1pp8 h LEU 22 Ca 0.00 0.00 -0.14 0.00 0.08 0.00 0.00 57.88 57.82 1pp8 h LEU 22 Cb 0.00 0.00 -0.02 0.00 1.08 0.00 0.00 40.66 41.72 1pp8 h LEU 22 CO 0.00 0.00 -0.68 0.11 -1.08 0.00 0.00 178.44 176.79 1pp8 h LYS 23 N 0.00 0.00 -6.53 1.13 1.57 0.40 -3.46 116.57 109.68 1pp8 h LYS 23 Ca 0.69 0.00 -0.53 0.00 -1.87 0.00 0.00 60.65 58.94 1pp8 h LYS 23 Cb 2.81 0.00 0.03 0.00 0.08 0.00 0.00 32.23 35.15 1pp8 h LYS 23 CO -0.01 0.68 0.79 0.50 -0.57 0.00 0.00 179.45 180.84 1pp8 s ARG 24 N -3.27 4.28 0.84 3.15 6.06 -0.57 -4.99 118.95 124.44 1pp8 s ARG 24 Ca 0.00 2.15 -0.13 0.00 -2.50 0.00 0.00 55.73 55.25 1pp8 s ARG 24 Cb 0.11 -3.29 0.08 0.00 0.06 0.00 0.00 34.95 31.91 1pp8 s ARG 24 CO 0.76 -0.52 1.05 1.17 -2.50 0.00 0.00 175.30 175.27 1pp8 n LYS 25 N 4.24 0.02 -2.68 5.12 0.00 -1.26 -4.93 118.16 118.66 1pp8 n LYS 25 Ca 0.13 0.08 -0.42 0.00 0.00 0.00 0.00 58.31 58.09 1pp8 n LYS 25 Cb 0.41 -2.31 -0.03 0.00 0.00 0.00 0.00 35.03 33.10 1pp8 n LYS 25 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.40 175.86 1pp8 s SER 26 N -2.15 7.31 0.00 3.14 1.04 -1.26 -4.91 113.70 116.86 1pp8 s SER 26 Ca 0.70 1.63 0.00 0.00 0.48 0.00 0.00 55.95 58.76 1pp8 s SER 26 Cb -0.28 -2.57 0.00 0.00 0.10 0.00 0.00 66.02 63.28 1pp8 s SER 26 CO 0.55 -0.34 0.00 -1.54 0.98 0.00 0.00 173.24 172.88 1pp8 n SER 27 N 4.31 1.94 0.28 7.02 3.41 -1.26 -5.01 113.62 124.32 1pp8 n SER 27 Ca 0.07 -0.86 0.18 0.00 -0.26 0.00 0.00 58.87 58.00 1pp8 n SER 27 Cb 0.50 0.00 0.73 0.00 -0.26 0.00 0.00 64.21 65.17 1pp8 n SER 27 CO 0.00 0.00 0.00 0.03 -0.16 0.00 0.00 175.04 174.91 1pp8 h ARG 28 N 0.00 0.00 -6.20 4.33 2.47 -1.99 -3.42 114.38 109.56 1pp8 h ARG 28 Ca 0.00 0.00 -0.57 0.00 -1.26 0.00 0.00 59.98 58.15 1pp8 h ARG 28 Cb 0.00 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 28.31 1pp8 h ARG 28 CO 0.00 0.00 1.30 0.34 0.56 0.00 0.00 179.97 182.17 1pp8 s ASP 29 N -5.66 5.94 0.45 7.04 2.15 -1.26 -4.90 116.67 120.44 1pp8 s ASP 29 Ca 0.01 1.70 0.31 0.00 0.43 0.00 0.00 52.55 54.99 1pp8 s ASP 29 Cb 0.09 -2.52 1.41 0.00 -0.30 0.00 0.00 42.92 41.60 1pp8 s ASP 29 CO 0.53 -1.60 1.66 -0.65 -0.17 0.00 0.00 175.17 174.95 1pp8 h PRO 30 N 12.75 0.12 -0.82 4.34 0.11 -1.99 0.11 132.00 146.62 1pp8 h PRO 30 Ca -0.38 -0.01 -0.06 0.00 0.11 0.00 0.00 66.00 65.66 1pp8 h PRO 30 Cb 1.19 -0.03 -0.04 0.00 0.11 0.00 0.00 31.00 32.24 1pp8 h PRO 30 CO 0.99 0.08 0.08 0.09 -0.21 0.00 0.00 178.00 179.04 1pp8 n ASN 31 N -4.55 3.63 0.00 -2.05 3.02 -1.26 -3.68 115.26 110.36 1pp8 n ASN 31 Ca 0.34 -2.61 0.00 0.00 -0.03 0.00 0.00 54.58 52.28 1pp8 n ASN 31 Cb 1.37 -0.63 0.00 0.00 -0.61 0.00 0.00 39.78 39.91 1pp8 n ASN 31 CO 0.00 0.00 0.00 -0.24 -2.62 0.00 0.00 177.26 174.40 1pp8 n SER 32 N 0.18 4.41 -2.68 6.41 2.88 0.38 -4.57 113.62 120.63 1pp8 n SER 32 Ca 0.20 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.74 1pp8 n SER 32 Cb 0.87 0.80 0.00 0.00 -0.75 0.00 0.00 64.21 65.13 1pp8 n SER 32 CO 0.00 0.00 0.00 -2.11 -1.23 0.00 0.00 175.04 171.70 1pp8 n ARG 33 N -1.41 0.29 0.00 -1.46 1.85 -1.23 -4.32 116.66 110.38 1pp8 n ARG 33 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.85 1pp8 n ARG 33 Cb 0.08 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 31.49 1pp8 n ARG 33 CO 0.00 0.00 0.00 0.34 -0.01 0.00 0.00 177.63 177.96 1pp8 n PHE 34 N -1.22 0.00 0.00 2.89 -0.00 -1.26 -3.46 117.46 114.40 1pp8 n PHE 34 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.45 1pp8 n PHE 34 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 39.48 39.48 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 -0.02 0.00 0.07 -7.13 -0.02 -1.26 0.57 135.00 127.21 1pp8 n PRO 35 Ca 0.00 0.00 -0.06 0.00 -2.02 0.00 0.00 63.50 61.42 1pp8 n PRO 35 Cb 0.00 0.00 -0.03 0.00 -0.02 0.00 0.00 33.50 33.45 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 -0.28 -0.93 -0.52 -0.00 -1.79 0.35 114.38 111.21 1pp8 h ARG 36 Ca 0.00 0.02 0.16 0.00 -0.50 0.00 0.00 59.98 59.65 1pp8 h ARG 36 Cb 0.00 0.06 -0.16 0.00 0.00 0.00 0.00 29.97 29.88 1pp8 h ARG 36 CO 0.00 -0.19 -0.33 1.17 0.00 0.00 0.00 179.97 180.63 1pp8 n LYS 37 N -3.35 -0.18 0.24 0.04 4.81 0.19 -0.12 118.16 119.79 1pp8 n LYS 37 Ca -0.03 1.44 -0.13 0.00 -0.87 0.00 0.00 58.31 58.72 1pp8 n LYS 37 Cb 0.14 -2.14 -0.07 0.00 0.02 0.00 0.00 35.03 32.99 1pp8 n LYS 37 CO 0.00 0.00 0.00 1.25 1.17 0.00 0.00 177.40 179.82 1pp8 h LEU 38 N 0.00 -0.89 -1.59 3.14 7.12 -1.11 -2.83 115.31 119.15 1pp8 h LEU 38 Ca 0.36 0.06 0.29 0.00 0.13 0.00 0.00 57.88 58.72 1pp8 h LEU 38 Cb 0.59 0.28 -0.08 0.00 -0.53 0.00 0.00 40.66 40.92 1pp8 h LEU 38 CO -0.93 -0.48 0.72 -0.74 -0.13 0.00 0.00 178.44 176.88 1pp8 h HIS 39 N -0.74 0.42 -0.49 1.25 2.76 0.22 -0.29 115.15 118.27 1pp8 h HIS 39 Ca -0.06 0.01 -0.04 0.00 -2.20 0.00 0.00 60.37 58.08 1pp8 h HIS 39 Cb 0.62 -0.12 -0.02 0.00 1.55 0.00 0.00 27.41 29.44 1pp8 h HIS 39 CO -0.12 0.04 0.13 0.00 -1.30 0.00 0.00 177.93 176.68 1pp8 h MET 40 N 0.25 0.77 0.56 5.26 -0.00 -0.27 -2.64 114.93 118.87 1pp8 h MET 40 Ca 0.57 -0.18 -0.02 0.00 -0.00 0.00 0.00 59.70 60.07 1pp8 h MET 40 Cb 1.74 -0.10 -0.01 0.00 -0.00 0.00 0.00 31.60 33.23 1pp8 h MET 40 CO -0.19 0.74 -0.42 1.25 -0.00 0.00 0.00 176.91 178.29 1pp8 h LEU 41 N 0.66 -1.10 0.00 -0.10 5.85 -1.04 0.26 115.31 119.84 1pp8 h LEU 41 Ca 0.15 0.07 0.00 0.00 0.84 0.00 0.00 57.88 58.95 1pp8 h LEU 41 Cb 0.31 0.34 0.00 0.00 0.37 0.00 0.00 40.66 41.68 1pp8 h LEU 41 CO -0.00 -0.60 0.00 -0.11 -0.34 0.00 0.00 178.44 177.39 1pp8 n LEU 42 N -5.01 0.00 0.26 2.25 -0.00 -0.79 0.14 117.00 113.85 1pp8 n LEU 42 Ca -0.11 0.34 0.12 0.00 -0.00 0.00 0.00 56.01 56.36 1pp8 n LEU 42 Cb 0.41 -0.13 0.72 0.00 -0.00 0.00 0.00 43.42 44.42 1pp8 n LEU 42 CO 0.26 -0.13 0.98 0.71 -0.00 0.00 0.00 177.39 179.21 1pp8 h THR 43 N 0.00 0.63 0.64 1.96 1.35 -1.43 -1.68 112.91 114.38 1pp8 h THR 43 Ca 0.00 -0.49 -0.03 0.00 -0.55 0.00 0.00 66.41 65.34 1pp8 h THR 43 Cb 0.00 1.31 0.01 0.00 -1.73 0.00 0.00 68.15 67.73 1pp8 h THR 43 CO 0.00 0.11 -0.31 0.22 -0.25 0.00 0.00 175.52 175.29 1pp8 h TYR 44 N 0.00 -0.80 -0.42 4.73 5.03 0.49 -3.27 116.97 122.74 1pp8 h TYR 44 Ca -0.00 -0.02 0.09 0.00 2.58 0.00 0.00 58.73 61.38 1pp8 h TYR 44 Cb 0.30 0.26 -0.09 0.00 1.55 0.00 0.00 36.73 38.75 1pp8 h TYR 44 CO 0.00 -0.45 -0.27 -0.07 -1.32 0.00 0.00 178.16 176.05 1pp8 h LEU 45 N -1.08 -0.89 0.00 2.82 3.38 0.12 0.21 115.31 119.86 1pp8 h LEU 45 Ca -0.09 0.18 0.00 0.00 0.09 0.00 0.00 57.88 58.06 1pp8 h LEU 45 Cb 0.70 0.45 0.00 0.00 0.09 0.00 0.00 40.66 41.90 1pp8 h LEU 45 CO 0.14 -0.28 0.00 0.00 0.09 0.00 0.00 178.44 178.39 1pp8 n ALA 46 N -2.97 0.86 -0.03 1.53 0.00 -0.68 0.22 120.51 119.44 1pp8 n ALA 46 Ca 0.02 0.00 0.04 0.00 0.00 0.00 0.00 53.44 53.51 1pp8 n ALA 46 Cb 0.32 -0.58 -0.15 0.00 0.00 0.00 0.00 19.45 19.04 1pp8 n ALA 46 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1pp8 n SER 47 N -0.78 0.43 -2.77 0.00 2.88 0.74 -4.75 113.62 109.36 1pp8 n SER 47 Ca 0.00 0.00 -0.21 0.00 -1.33 0.00 0.00 58.87 57.33 1pp8 n SER 47 Cb 0.00 1.63 -0.01 0.00 -0.75 0.00 0.00 64.21 65.08 1pp8 n SER 47 CO 0.00 0.00 0.00 0.59 -1.23 0.00 0.00 175.04 174.40 1pp8 n ASN 48 N -2.34 3.07 0.00 -3.46 4.13 0.59 -5.04 115.26 112.21 1pp8 n ASN 48 Ca -0.11 -3.32 0.00 0.00 1.68 0.00 0.00 54.58 52.83 1pp8 n ASN 48 Cb 0.69 -0.53 0.00 0.00 -1.54 0.00 0.00 39.78 38.40 1pp8 n ASN 48 CO 0.00 0.00 0.00 -2.65 0.28 0.00 0.00 177.26 174.89 1pp8 n PRO 49 N -0.17 0.00 0.04 3.52 -0.02 -1.23 -0.47 135.00 136.66 1pp8 n PRO 49 Ca 0.27 0.00 -0.10 0.00 -2.02 0.00 0.00 63.50 61.64 1pp8 n PRO 49 Cb 0.64 0.00 -0.04 0.00 -0.02 0.00 0.00 33.50 34.08 1pp8 n PRO 49 CO 0.00 0.00 0.00 0.37 1.98 0.00 0.00 175.50 177.85 1pp8 h GLN 50 N 0.00 -0.27 -0.42 -0.52 4.15 -1.96 0.74 115.11 116.83 1pp8 h GLN 50 Ca 0.00 0.02 -0.05 0.00 0.77 0.00 0.00 58.65 59.39 1pp8 h GLN 50 Cb 0.00 0.06 -0.02 0.00 0.21 0.00 0.00 27.48 27.73 1pp8 h GLN 50 CO 0.00 -0.18 0.06 -0.07 -1.93 0.00 0.00 178.83 176.70 1pp8 h LEU 51 N -0.28 0.59 -1.84 -2.39 4.07 -1.13 0.90 115.31 115.22 1pp8 h LEU 51 Ca 0.07 -0.11 0.11 0.00 0.08 0.00 0.00 57.88 58.03 1pp8 h LEU 51 Cb 0.38 -0.15 -0.02 0.00 1.08 0.00 0.00 40.66 41.94 1pp8 h LEU 51 CO -0.21 0.63 0.33 -0.08 -1.08 0.00 0.00 178.44 178.03 1pp8 h GLU 52 N 0.61 0.17 0.11 1.13 4.22 -1.19 0.38 114.58 120.01 1pp8 h GLU 52 Ca 0.13 -0.01 -0.01 0.00 0.08 0.00 0.00 59.36 59.56 1pp8 h GLU 52 Cb 0.30 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.51 1pp8 h GLU 52 CO 0.00 0.11 -0.05 1.49 -2.18 0.00 0.00 179.01 178.38 1pp8 h GLU 53 N 0.17 -0.14 -0.46 1.92 4.81 0.13 0.56 114.58 121.57 1pp8 h GLU 53 Ca 0.23 0.01 0.09 0.00 -0.13 0.00 0.00 59.36 59.56 1pp8 h GLU 53 Cb 0.66 0.03 -0.10 0.00 0.63 0.00 0.00 28.75 29.98 1pp8 h GLU 53 CO -0.03 -0.10 -0.21 0.93 -0.73 0.00 0.00 179.01 178.87 1pp8 h GLU 54 N -0.72 -0.11 -0.01 1.92 5.08 -0.60 -2.57 114.58 117.57 1pp8 h GLU 54 Ca -0.02 0.01 -0.12 0.00 -1.00 0.00 0.00 59.36 58.23 1pp8 h GLU 54 Cb 0.11 0.03 0.01 0.00 0.50 0.00 0.00 28.75 29.40 1pp8 h GLU 54 CO 0.02 -0.07 -0.46 0.82 -1.00 0.00 0.00 179.01 178.32 1pp8 h ILE 55 N -0.12 1.47 -2.65 3.13 5.03 -0.40 -3.49 117.51 120.48 1pp8 h ILE 55 Ca 0.22 -2.00 0.00 0.00 -0.12 0.00 0.00 64.86 62.95 1pp8 h ILE 55 Cb 0.45 2.63 0.00 0.00 -3.03 0.00 0.00 36.82 36.87 1pp8 h ILE 55 CO -0.53 0.57 0.00 0.61 -0.68 0.00 0.00 178.15 178.12 1pp8 n GLY 56 N 1.03 0.15 2.83 5.37 0.00 0.18 -4.39 105.19 110.36 1pp8 n GLY 56 Ca -0.10 -0.29 -0.13 0.00 0.00 0.00 0.00 46.02 45.50 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 -2.03 -0.44 0.29 0.99 0.20 -1.21 -0.62 118.68 115.86 1pp8 s LEU 57 Ca 0.00 -0.30 -0.20 0.00 0.69 0.00 0.00 54.13 54.32 1pp8 s LEU 57 Cb 0.00 0.78 0.02 0.00 -0.43 0.00 0.00 46.19 46.56 1pp8 s LEU 57 CO 0.00 -0.35 0.72 -0.55 -0.29 0.00 0.00 176.35 175.88 1pp8 s SER 58 N 2.44 -0.22 -0.17 3.68 0.15 0.17 -4.74 113.70 115.01 1pp8 s SER 58 Ca 0.10 -0.68 -0.27 0.00 0.70 0.00 0.00 55.95 55.80 1pp8 s SER 58 Cb -0.14 0.74 -0.01 0.00 -1.71 0.00 0.00 66.02 64.89 1pp8 s SER 58 CO -0.24 -1.37 0.92 0.26 1.20 0.00 0.00 173.24 174.01 1pp8 s TRP 59 N -3.77 3.43 -0.17 3.44 0.52 -1.26 0.16 118.94 121.29 1pp8 s TRP 59 Ca 0.12 1.39 -0.23 0.00 0.02 0.00 0.00 56.10 57.40 1pp8 s TRP 59 Cb -0.06 -3.11 -0.22 0.00 -1.15 0.00 0.00 33.47 28.93 1pp8 s TRP 59 CO 0.08 -0.29 0.42 0.97 0.02 0.00 0.00 176.95 178.15 1pp8 h ILE 60 N 5.22 1.19 -1.26 2.03 6.09 -1.62 -3.47 117.51 125.69 1pp8 h ILE 60 Ca -0.28 -2.26 -0.63 0.00 -1.37 0.00 0.00 64.86 60.32 1pp8 h ILE 60 Cb 1.12 2.64 -0.13 0.00 0.47 0.00 0.00 36.82 40.92 1pp8 h ILE 60 CO 0.87 0.46 -0.54 -0.55 -3.07 0.00 0.00 178.15 175.31 1pp8 s SER 61 N -6.69 3.71 0.00 2.19 0.15 -0.86 -5.01 113.70 107.18 1pp8 s SER 61 Ca -0.25 -1.56 0.23 0.00 0.70 0.00 0.00 55.95 55.07 1pp8 s SER 61 Cb 0.03 0.24 1.23 0.00 -1.71 0.00 0.00 66.02 65.81 1pp8 s SER 61 CO 0.65 -0.74 1.81 -0.90 1.20 0.00 0.00 173.24 175.25 1pp8 n ASP 62 N -1.15 0.45 -0.01 5.45 5.68 -1.26 -3.52 116.55 122.19 1pp8 n ASP 62 Ca -0.12 -1.38 -0.01 0.00 -0.50 0.00 0.00 54.79 52.77 1pp8 n ASP 62 Cb 0.67 -0.02 -0.02 0.00 -1.14 0.00 0.00 41.12 40.61 1pp8 n ASP 62 CO 0.00 0.00 0.00 0.35 -1.33 0.00 0.00 177.20 176.22 1pp8 n THR 63 N -0.54 0.16 -4.38 2.12 -2.24 -1.26 -2.50 114.28 105.64 1pp8 n THR 63 Ca 0.17 -0.09 -0.27 0.00 -2.27 0.00 0.00 64.05 61.59 1pp8 n THR 63 Cb 0.15 -0.86 -0.11 0.00 -2.10 0.00 0.00 70.33 67.41 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 -2.06 1.67 0.26 -0.78 2.02 -1.23 -4.53 118.70 114.06 1pp8 s GLU 64 Ca -0.02 -1.44 -0.01 0.00 0.02 0.00 0.00 54.97 53.52 1pp8 s GLU 64 Cb 0.01 -1.94 -0.03 0.00 0.10 0.00 0.00 34.13 32.27 1pp8 s GLU 64 CO 0.09 0.41 0.27 -0.59 0.02 0.00 0.00 175.26 175.47 1pp8 s PHE 65 N -1.64 1.14 0.04 1.61 -0.71 0.16 -1.65 117.98 116.94 1pp8 s PHE 65 Ca 0.22 -1.32 -0.00 0.00 -1.04 0.00 0.00 56.93 54.79 1pp8 s PHE 65 Cb -0.08 -0.39 -0.03 0.00 -1.21 0.00 0.00 43.02 41.30 1pp8 s PHE 65 CO 0.11 -0.82 -0.04 -1.59 -1.34 0.00 0.00 175.22 171.54 1pp8 s LYS 66 N -3.82 0.52 0.27 1.99 -2.85 0.42 0.24 119.74 116.51 1pp8 s LYS 66 Ca 0.35 -0.96 -0.19 0.00 -1.00 0.00 0.00 55.97 54.17 1pp8 s LYS 66 Cb 0.04 0.08 0.02 0.00 -2.06 0.00 0.00 37.83 35.90 1pp8 s LYS 66 CO 0.16 -0.06 0.66 0.00 0.10 0.00 0.00 175.35 176.21 1pp8 s MET 67 N -2.78 1.71 -0.70 1.78 0.23 0.13 0.43 119.30 120.10 1pp8 s MET 67 Ca -0.03 -1.02 -0.02 0.00 -1.03 0.00 0.00 55.69 53.59 1pp8 s MET 67 Cb -0.01 0.58 0.18 0.00 -1.53 0.00 0.00 34.83 34.05 1pp8 s MET 67 CO -0.05 -0.77 0.53 0.15 -2.03 0.00 0.00 175.02 172.85 1pp8 s LYS 68 N -3.93 2.76 0.16 3.16 1.02 0.21 -1.86 119.74 121.26 1pp8 s LYS 68 Ca 0.13 -2.75 -0.19 0.00 0.02 0.00 0.00 55.97 53.17 1pp8 s LYS 68 Cb -0.05 -3.79 0.07 0.00 -0.52 0.00 0.00 37.83 33.55 1pp8 s LYS 68 CO 0.06 -1.20 1.23 1.63 -0.92 0.00 0.00 175.35 176.16 1pp8 n LYS 69 N 3.14 -0.27 -0.23 1.68 5.02 -1.26 0.15 118.16 126.40 1pp8 n LYS 69 Ca 0.12 1.22 0.14 0.00 -2.02 0.00 0.00 58.31 57.77 1pp8 n LYS 69 Cb 0.38 -1.80 0.27 0.00 -0.02 0.00 0.00 35.03 33.85 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 -5.09 -0.05 -0.04 1.97 4.76 -1.26 -0.20 118.16 118.25 1pp8 n LYS 70 Ca 0.05 0.98 -0.18 0.00 -2.87 0.00 0.00 58.31 56.29 1pp8 n LYS 70 Cb 0.26 -1.63 -0.13 0.00 -1.84 0.00 0.00 35.03 31.70 1pp8 n LYS 70 CO 0.00 0.00 0.00 -0.91 -1.37 0.00 0.00 177.40 175.12 1pp8 h ASN 71 N 0.00 0.16 0.47 4.39 4.21 0.12 -3.04 115.58 121.89 1pp8 h ASN 71 Ca 0.46 -0.84 -0.02 0.00 1.21 0.00 0.00 56.30 57.11 1pp8 h ASN 71 Cb 1.07 -0.05 0.00 0.00 -1.12 0.00 0.00 38.32 38.22 1pp8 h ASN 71 CO -0.60 1.32 -0.24 -0.37 -1.29 0.00 0.00 177.43 176.25 1pp8 h VAL 72 N -0.75 0.51 0.00 2.81 -1.51 -0.09 0.66 116.25 117.88 1pp8 h VAL 72 Ca -0.17 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.30 1pp8 h VAL 72 Cb 1.34 0.51 0.00 0.00 -2.13 0.00 0.00 31.29 31.01 1pp8 h VAL 72 CO -0.01 0.00 0.31 0.00 -1.23 0.00 0.00 177.57 176.63 1pp8 n ALA 73 N -2.39 0.57 -0.07 5.19 0.00 0.72 0.54 120.51 125.06 1pp8 n ALA 73 Ca -0.12 0.08 -0.09 0.00 0.00 0.00 0.00 53.44 53.32 1pp8 n ALA 73 Cb 0.28 -0.68 -0.07 0.00 0.00 0.00 0.00 19.45 18.98 1pp8 n ALA 73 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1pp8 h LEU 74 N 0.00 0.00 -0.70 0.00 5.85 0.38 -3.04 115.31 117.80 1pp8 h LEU 74 Ca 0.00 -0.46 0.14 0.00 0.84 0.00 0.00 57.88 58.40 1pp8 h LEU 74 Cb 0.62 0.00 -0.10 0.00 0.37 0.00 0.00 40.66 41.54 1pp8 h LEU 74 CO 0.00 0.87 0.18 0.58 -0.34 0.00 0.00 178.44 179.73 1pp8 h VAL 75 N -1.00 0.57 0.00 1.05 2.07 0.16 0.29 116.25 119.39 1pp8 h VAL 75 Ca -0.05 -0.10 0.00 0.00 0.82 0.00 0.00 66.70 67.37 1pp8 h VAL 75 Cb 0.64 0.25 0.00 0.00 -1.52 0.00 0.00 31.29 30.66 1pp8 h VAL 75 CO -0.03 0.05 0.00 0.23 0.02 0.00 0.00 177.57 177.84 1pp8 n MET 76 N -5.13 0.68 -0.49 1.57 2.81 -0.44 -4.82 117.12 111.30 1pp8 n MET 76 Ca 0.13 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 56.02 1pp8 n MET 76 Cb 0.41 -1.08 0.00 0.00 -0.71 0.00 0.00 33.22 31.84 1pp8 n MET 76 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1pp8 n GLY 77 N 0.17 0.00 3.76 3.03 0.00 0.10 -4.90 105.19 107.36 1pp8 n GLY 77 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.65 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 -0.58 5.28 1.02 -0.61 1.10 -1.15 -5.04 121.20 121.21 1pp8 s ILE 78 Ca 0.00 0.57 -0.15 0.00 -0.51 0.00 0.00 60.65 60.56 1pp8 s ILE 78 Cb 0.00 -3.62 0.07 0.00 0.15 0.00 0.00 42.46 39.06 1pp8 s ILE 78 CO 0.00 0.45 0.31 0.29 -2.11 0.00 0.00 174.94 173.87 1pp8 n LYS 79 N 3.10 -0.83 0.33 3.50 4.76 -1.26 -4.40 118.16 123.35 1pp8 n LYS 79 Ca -0.13 -0.21 -0.16 0.00 -2.87 0.00 0.00 58.31 54.94 1pp8 n LYS 79 Cb 0.52 -1.83 -0.08 0.00 -1.84 0.00 0.00 35.03 31.81 1pp8 n LYS 79 CO 0.00 0.00 0.00 1.25 -1.37 0.00 0.00 177.40 177.28 1pp8 h LEU 80 N -1.79 -0.71 -0.35 -0.35 7.12 -1.95 -1.40 115.31 115.88 1pp8 h LEU 80 Ca -0.48 -0.02 0.03 0.00 0.13 0.00 0.00 57.88 57.54 1pp8 h LEU 80 Cb 1.31 0.18 -0.04 0.00 -0.53 0.00 0.00 40.66 41.58 1pp8 h LEU 80 CO 0.36 -0.38 -0.21 -3.20 -0.13 0.00 0.00 178.44 174.88 1pp8 n ASN 81 N -5.38 -0.37 -0.08 1.25 2.85 -1.26 -0.65 115.26 111.62 1pp8 n ASN 81 Ca -0.12 1.05 -0.06 0.00 -0.11 0.00 0.00 54.58 55.34 1pp8 n ASN 81 Cb 0.36 -0.30 -0.04 0.00 1.24 0.00 0.00 39.78 41.04 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 0.00 -1.29 -0.44 1.35 -1.90 0.11 112.91 110.74 1pp8 h THR 82 Ca 0.06 0.00 0.45 0.00 -0.55 0.00 0.00 66.41 66.37 1pp8 h THR 82 Cb 0.14 0.00 -0.14 0.00 -1.73 0.00 0.00 68.15 66.43 1pp8 h THR 82 CO -0.33 0.00 0.82 -0.11 -0.25 0.00 0.00 175.52 175.65 1pp8 n LEU 83 N -3.91 0.21 0.01 3.87 7.94 0.18 0.20 117.00 125.51 1pp8 n LEU 83 Ca -0.01 1.35 -0.18 0.00 -1.11 0.00 0.00 56.01 56.05 1pp8 n LEU 83 Cb 0.15 -0.66 -0.11 0.00 0.53 0.00 0.00 43.42 43.33 1pp8 n LEU 83 CO -0.01 -1.47 0.22 0.78 -1.11 0.00 0.00 177.39 175.80 1pp8 h ASN 84 N 0.00 0.59 -0.88 1.96 4.21 0.14 -2.56 115.58 119.04 1pp8 h ASN 84 Ca 0.84 -0.77 0.18 0.00 1.21 0.00 0.00 56.30 57.76 1pp8 h ASN 84 Cb 2.67 -0.18 -0.07 0.00 -1.12 0.00 0.00 38.32 39.62 1pp8 h ASN 84 CO -0.47 1.28 0.58 0.58 -1.29 0.00 0.00 177.43 178.11 1pp8 h VAL 85 N -0.04 0.73 -0.04 2.81 2.07 0.37 0.67 116.25 122.83 1pp8 h VAL 85 Ca -0.09 -0.17 -0.12 0.00 0.82 0.00 0.00 66.70 67.15 1pp8 h VAL 85 Cb 1.39 0.21 0.01 0.00 -1.52 0.00 0.00 31.29 31.37 1pp8 h VAL 85 CO 0.13 0.09 -0.43 0.78 0.02 0.00 0.00 177.57 178.16 1pp8 h ASN 86 N 0.48 0.44 -0.97 0.57 2.35 -0.89 -2.35 115.58 115.21 1pp8 h ASN 86 Ca 0.45 -0.71 0.19 0.00 -0.55 0.00 0.00 56.30 55.68 1pp8 h ASN 86 Cb 1.01 -0.13 -0.11 0.00 0.05 0.00 0.00 38.32 39.14 1pp8 h ASN 86 CO -0.18 1.09 0.56 -0.07 -1.65 0.00 0.00 177.43 177.17 1pp8 h LEU 87 N -0.17 0.69 0.06 1.61 4.07 -0.45 0.61 115.31 121.74 1pp8 h LEU 87 Ca -0.04 0.10 -0.30 0.00 0.08 0.00 0.00 57.88 57.72 1pp8 h LEU 87 Cb 1.12 -0.01 -0.03 0.00 1.08 0.00 0.00 40.66 42.82 1pp8 h LEU 87 CO 0.09 0.23 -1.59 -0.09 -1.08 0.00 0.00 178.44 175.99 1pp8 h ARG 88 N 0.69 0.13 -0.72 1.13 2.43 -1.50 0.18 114.38 116.72 1pp8 h ARG 88 Ca 0.56 -0.23 0.02 0.00 -0.81 0.00 0.00 59.98 59.52 1pp8 h ARG 88 Cb 0.89 0.09 -0.04 0.00 -0.42 0.00 0.00 29.97 30.49 1pp8 h ARG 88 CO -0.40 0.90 0.47 -0.44 -1.51 0.00 0.00 179.97 178.99 1pp8 h ASP 89 N 0.04 0.80 -0.50 -3.80 3.45 -0.76 0.28 116.42 115.93 1pp8 h ASP 89 Ca -0.25 -0.01 -0.13 0.00 0.43 0.00 0.00 57.03 57.06 1pp8 h ASP 89 Cb 1.99 -0.19 -0.08 0.00 -0.56 0.00 0.00 39.33 40.49 1pp8 h ASP 89 CO 0.12 0.57 0.17 0.18 -1.57 0.00 0.00 179.24 178.71 1pp8 n LEU 90 N -4.61 4.75 -3.23 1.55 4.77 0.13 -4.95 117.00 115.41 1pp8 n LEU 90 Ca 0.07 -2.45 -0.26 0.00 -0.03 0.00 0.00 56.01 53.34 1pp8 n LEU 90 Cb 0.04 -0.67 0.03 0.00 -2.33 0.00 0.00 43.42 40.49 1pp8 n LEU 90 CO 0.35 0.65 -0.14 0.00 -1.33 0.00 0.00 177.39 176.92 1pp8 n ALA 91 N 0.03 -2.60 -2.47 -1.18 0.00 0.09 -5.03 120.51 109.35 1pp8 n ALA 91 Ca 0.27 0.70 -0.30 0.00 0.00 0.00 0.00 53.44 54.11 1pp8 n ALA 91 Cb 1.05 -2.90 -0.12 0.00 0.00 0.00 0.00 19.45 17.49 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 -1.94 2.53 -0.19 0.00 0.08 0.63 -4.79 117.98 114.29 1pp8 s PHE 92 Ca 0.33 -0.27 -0.08 0.00 0.12 0.00 0.00 56.93 57.03 1pp8 s PHE 92 Cb -0.05 -1.37 -0.04 0.00 -0.57 0.00 0.00 43.02 40.99 1pp8 s PHE 92 CO 0.83 0.35 0.08 -2.00 -0.10 0.00 0.00 175.22 174.38 1pp8 s GLU 93 N -1.95 3.99 -0.39 0.44 2.12 0.14 -4.64 118.70 118.41 1pp8 s GLU 93 Ca 0.17 -0.33 -0.21 0.00 0.36 0.00 0.00 54.97 54.96 1pp8 s GLU 93 Cb -0.11 -3.28 0.01 0.00 0.26 0.00 0.00 34.13 31.02 1pp8 s GLU 93 CO 0.09 0.22 0.65 -1.14 -0.54 0.00 0.00 175.26 174.53 1pp8 s GLN 94 N 0.53 3.54 -0.12 4.30 0.74 -1.26 -2.88 119.66 124.52 1pp8 s GLN 94 Ca 0.04 -0.08 0.14 0.00 0.05 0.00 0.00 55.36 55.51 1pp8 s GLN 94 Cb -0.13 -3.86 0.40 0.00 1.10 0.00 0.00 33.01 30.53 1pp8 s GLN 94 CO 0.01 -0.84 1.31 1.47 -0.55 0.00 0.00 175.29 176.69 1pp8 n LEU 95 N 6.15 3.30 -3.00 3.68 -0.00 -1.20 -4.88 117.00 121.06 1pp8 n LEU 95 Ca -0.01 -2.71 0.02 0.00 -0.00 0.00 0.00 56.01 53.31 1pp8 n LEU 95 Cb 0.48 -0.41 -0.00 0.00 -0.00 0.00 0.00 43.42 43.49 1pp8 n LEU 95 CO 0.51 0.68 0.33 -1.58 -0.00 0.00 0.00 177.39 177.33 1pp8 s GLN 96 N -2.27 0.39 0.66 1.47 0.74 -1.26 -5.02 119.66 114.37 1pp8 s GLN 96 Ca 0.33 -0.02 -0.12 0.00 0.05 0.00 0.00 55.36 55.60 1pp8 s GLN 96 Cb 0.26 0.07 -0.11 0.00 1.10 0.00 0.00 33.01 34.33 1pp8 s GLN 96 CO 0.09 -0.60 -0.50 1.58 -0.55 0.00 0.00 175.29 175.31 1pp8 n HIS 97 N 4.31 -3.46 -1.71 1.67 -0.00 -1.26 -4.36 115.22 110.41 1pp8 n HIS 97 Ca 0.08 0.02 -0.56 0.00 -0.00 0.00 0.00 57.72 57.26 1pp8 n HIS 97 Cb 0.60 -1.03 -0.07 0.00 -0.00 0.00 0.00 29.99 29.49 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 2.36 2.56 -3.98 0.26 4.64 -1.26 -4.84 116.55 116.29 1pp8 n ASP 98 Ca -0.00 1.06 -0.32 0.00 -1.38 0.00 0.00 54.79 54.14 1pp8 n ASP 98 Cb 0.38 -1.18 -0.09 0.00 -1.04 0.00 0.00 41.12 39.20 1pp8 n ASP 98 CO 0.00 0.00 0.00 0.29 -0.82 0.00 0.00 177.20 176.67 1pp8 n LYS 99 N 5.56 2.33 -3.24 -0.67 4.76 -0.08 -4.78 118.16 122.04 1pp8 n LYS 99 Ca 0.26 -4.50 -0.16 0.00 -2.87 0.00 0.00 58.31 51.04 1pp8 n LYS 99 Cb 0.16 -2.35 0.06 0.00 -1.84 0.00 0.00 35.03 31.06 1pp8 n LYS 99 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1pp8 n GLY 100 N 2.05 -0.17 0.00 0.72 0.00 -1.26 -3.15 105.19 103.38 1pp8 n GLY 100 Ca 0.22 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.24 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 -1.44 2.63 3.92 -0.02 0.00 -1.26 -5.07 105.19 103.95 1pp8 n GLY 101 Ca -0.08 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.66 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 -2.69 3.48 -0.00 1.61 0.52 -1.19 -4.17 118.94 116.51 1pp8 s TRP 102 Ca 0.00 0.37 -0.14 0.00 0.02 0.00 0.00 56.10 56.36 1pp8 s TRP 102 Cb 0.00 -1.88 0.02 0.00 -1.15 0.00 0.00 33.47 30.46 1pp8 s TRP 102 CO 0.00 0.40 0.29 0.99 0.02 0.00 0.00 176.95 178.64 1pp8 s THR 103 N -1.82 0.07 0.11 2.01 2.01 -0.77 -0.90 115.64 116.34 1pp8 s THR 103 Ca 0.39 -0.55 0.10 0.00 0.31 0.00 0.00 61.69 61.94 1pp8 s THR 103 Cb -0.11 -0.66 -0.04 0.00 0.01 0.00 0.00 72.50 71.70 1pp8 s THR 103 CO 0.28 -0.30 -0.26 0.00 -0.69 0.00 0.00 174.62 173.65 1pp8 s GLN 104 N -1.59 1.44 0.30 4.92 -2.07 -1.26 -0.70 119.66 120.70 1pp8 s GLN 104 Ca -0.12 -1.27 0.02 0.00 -1.82 0.00 0.00 55.36 52.16 1pp8 s GLN 104 Cb -0.05 -1.85 -0.02 0.00 -1.09 0.00 0.00 33.01 30.01 1pp8 s GLN 104 CO 0.02 0.45 0.31 -1.58 -1.32 0.00 0.00 175.29 173.16 1pp8 s TRP 105 N -1.02 1.35 0.24 9.60 0.52 0.67 -3.25 118.94 127.05 1pp8 s TRP 105 Ca 0.13 -1.44 -0.22 0.00 0.02 0.00 0.00 56.10 54.58 1pp8 s TRP 105 Cb -0.10 -0.46 0.04 0.00 -1.15 0.00 0.00 33.47 31.80 1pp8 s TRP 105 CO 0.05 -0.89 0.69 0.21 0.02 0.00 0.00 176.95 177.03 1pp8 s LYS 106 N -3.55 1.62 -0.29 4.98 2.36 -1.14 0.39 119.74 124.11 1pp8 s LYS 106 Ca 0.37 -0.82 -0.14 0.00 -2.55 0.00 0.00 55.97 52.83 1pp8 s LYS 106 Cb 0.03 0.60 0.12 0.00 -1.05 0.00 0.00 37.83 37.52 1pp8 s LYS 106 CO 0.21 -0.73 0.75 0.50 1.55 0.00 0.00 175.35 177.63 1pp8 s ARG 107 N -3.85 0.57 0.26 4.03 3.52 -1.26 0.25 118.95 122.47 1pp8 s ARG 107 Ca 0.08 1.18 0.11 0.00 -0.13 0.00 0.00 55.73 56.97 1pp8 s ARG 107 Cb -0.04 0.44 0.88 0.00 -1.56 0.00 0.00 34.95 34.66 1pp8 s ARG 107 CO 0.01 -0.15 1.18 0.43 -0.81 0.00 0.00 175.30 175.95 1pp8 n SER 108 N 4.73 0.16 0.06 -2.12 7.64 -1.26 0.22 113.62 123.03 1pp8 n SER 108 Ca -0.16 1.25 0.12 0.00 1.01 0.00 0.00 58.87 61.09 1pp8 n SER 108 Cb 0.54 -0.56 0.13 0.00 -1.01 0.00 0.00 64.21 63.31 1pp8 n SER 108 CO 0.00 0.00 0.00 1.23 -3.01 0.00 0.00 175.04 173.26 1pp8 h GLY 109 N 0.00 0.00 -5.26 0.23 0.00 -1.96 -3.46 103.07 92.62 1pp8 h GLY 109 Ca 0.58 0.00 -0.58 0.00 0.00 0.00 0.00 47.33 47.33 1pp8 h GLY 109 CO -0.61 0.00 0.63 -0.12 0.00 0.00 0.00 176.54 176.43 1pp8 s PHE 110 N -3.19 3.36 -0.01 5.60 5.36 0.58 -4.76 117.98 124.93 1pp8 s PHE 110 Ca 0.05 1.37 -0.05 0.00 -0.96 0.00 0.00 56.93 57.34 1pp8 s PHE 110 Cb 0.13 -3.17 0.02 0.00 -0.34 0.00 0.00 43.02 39.66 1pp8 s PHE 110 CO 0.74 -0.39 0.22 0.25 -1.46 0.00 0.00 175.22 174.58 1pp8 n THR 111 N 5.13 0.00 0.00 0.12 -2.24 -1.17 -4.40 114.28 111.72 1pp8 n THR 111 Ca 0.09 -0.01 0.00 0.00 -2.27 0.00 0.00 64.05 61.85 1pp8 n THR 111 Cb 0.47 0.09 0.00 0.00 -2.10 0.00 0.00 70.33 68.79 1pp8 n THR 111 CO 0.00 0.00 0.00 -1.14 -0.57 0.00 0.00 175.07 173.36 1pp8 n ARG 112 N -0.16 0.00 -3.00 -0.78 0.00 -1.04 -2.96 116.66 108.72 1pp8 n ARG 112 Ca 0.01 0.00 -0.17 0.00 -0.00 0.00 0.00 57.85 57.69 1pp8 n ARG 112 Cb 0.10 0.00 -0.01 0.00 0.00 0.00 0.00 32.46 32.54 1pp8 n ARG 112 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.63 175.92 1pp8 n ASN 113 N 0.00 -1.03 0.00 6.15 4.05 -1.26 -4.99 115.26 118.18 1pp8 n ASN 113 Ca 0.00 -3.01 0.00 0.00 0.45 0.00 0.00 54.58 52.02 1pp8 n ASN 113 Cb 0.00 0.42 0.00 0.00 1.23 0.00 0.00 39.78 41.43 1pp8 n ASN 113 CO 0.00 0.00 0.00 -1.20 -3.05 0.00 0.00 177.26 173.01