#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1p8a h ALA 2 N 0.00 -0.41 -2.50 0.00 0.00 -1.97 -3.43 119.26 110.95 1p8a h ALA 2 Ca 0.00 -0.03 -0.57 0.00 0.00 0.00 0.00 54.91 54.31 1p8a h ALA 2 Cb 0.00 0.40 -0.15 0.00 0.00 0.00 0.00 17.79 18.04 1p8a h ALA 2 CO 0.00 -0.78 -0.77 -1.83 0.00 0.00 0.00 179.25 175.87 1p8a s GLU 3 N -6.07 1.51 0.00 0.00 -1.05 -1.26 -5.15 118.70 106.69 1p8a s GLU 3 Ca -0.15 -1.63 0.00 0.00 -0.15 0.00 0.00 54.97 53.03 1p8a s GLU 3 Cb 0.08 -1.58 0.00 0.00 -0.44 0.00 0.00 34.13 32.19 1p8a s GLU 3 CO 0.65 0.30 0.00 1.63 0.95 0.00 0.00 175.26 178.79 1p8a n LYS 4 N -0.27 0.74 -0.71 -4.83 4.01 -1.26 -5.04 118.16 110.79 1p8a n LYS 4 Ca -0.08 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.72 1p8a n LYS 4 Cb 0.59 0.00 0.00 0.00 -0.51 0.00 0.00 35.03 35.11 1p8a n LYS 4 CO 0.00 0.00 0.00 1.63 -1.11 0.00 0.00 177.40 177.92 1p8a n LYS 5 N -0.26 0.00 -4.21 1.97 5.02 -1.26 -5.05 118.16 114.37 1p8a n LYS 5 Ca 0.00 0.00 -0.19 0.00 -2.02 0.00 0.00 58.31 56.10 1p8a n LYS 5 Cb 0.00 0.00 -0.12 0.00 -0.02 0.00 0.00 35.03 34.89 1p8a n LYS 5 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1p8a s ALA 6 N -1.58 1.15 -0.10 7.82 0.00 -1.26 0.57 121.76 128.36 1p8a s ALA 6 Ca 0.00 -0.95 -0.08 0.00 0.00 0.00 0.00 51.96 50.94 1p8a s ALA 6 Cb 0.00 -0.11 0.03 0.00 0.00 0.00 0.00 23.12 23.04 1p8a s ALA 6 CO 0.00 0.17 0.26 0.14 0.00 0.00 0.00 175.76 176.33 1p8a s VAL 7 N -1.17 -0.01 -0.29 0.00 -7.23 0.41 -1.02 120.40 111.09 1p8a s VAL 7 Ca -0.01 0.04 -0.21 0.00 -1.81 0.00 0.00 61.98 59.99 1p8a s VAL 7 Cb -0.09 -0.37 -0.01 0.00 0.56 0.00 0.00 36.38 36.46 1p8a s VAL 7 CO 0.02 0.02 0.65 -0.22 -0.31 0.00 0.00 175.10 175.26 1p8a s LEU 8 N 0.49 4.11 -0.71 1.32 2.96 0.60 -0.36 118.68 127.09 1p8a s LEU 8 Ca -0.03 0.56 -0.18 0.00 -0.22 0.00 0.00 54.13 54.25 1p8a s LEU 8 Cb -0.04 -2.86 0.13 0.00 0.50 0.00 0.00 46.19 43.91 1p8a s LEU 8 CO -0.03 -0.46 0.83 -0.36 -1.32 0.00 0.00 176.35 175.02 1p8a s PHE 9 N 2.61 3.12 0.18 5.38 0.08 0.15 0.31 117.98 129.80 1p8a s PHE 9 Ca 0.26 -1.20 0.03 0.00 0.12 0.00 0.00 56.93 56.15 1p8a s PHE 9 Cb -0.15 -4.07 -0.03 0.00 -0.57 0.00 0.00 43.02 38.20 1p8a s PHE 9 CO 0.11 -1.32 0.29 0.08 -0.10 0.00 0.00 175.22 174.27 1p8a s VAL 10 N 2.39 5.21 0.16 -0.44 1.01 -0.49 -1.13 120.40 127.11 1p8a s VAL 10 Ca 0.18 -0.82 0.00 0.00 0.00 0.00 0.00 61.98 61.34 1p8a s VAL 10 Cb -0.17 -3.73 0.00 0.00 0.00 0.00 0.00 36.38 32.49 1p8a s VAL 10 CO 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 175.10 174.94 1p8a n LEU 12 N -2.91 0.00 0.00 0.00 -0.00 -1.26 -4.55 117.00 108.28 1p8a n LEU 12 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.01 1p8a n LEU 12 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.42 1p8a n LEU 12 CO 0.00 0.00 0.00 0.61 -0.00 0.00 0.00 177.39 178.00 1p8a n GLY 13 N 0.00 1.45 2.40 -3.96 0.00 -1.02 -3.94 105.19 100.13 1p8a n GLY 13 Ca 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.81 1p8a n GLY 13 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1p8a n ASN 14 N 0.00 -5.88 -0.00 1.61 5.15 -1.26 -4.38 115.26 110.50 1p8a n ASN 14 Ca 0.00 -0.01 0.04 0.00 -0.60 0.00 0.00 54.58 54.01 1p8a n ASN 14 Cb 0.00 -4.90 -0.06 0.00 -0.53 0.00 0.00 39.78 34.29 1p8a n ASN 14 CO 0.00 0.00 0.00 -0.38 1.40 0.00 0.00 177.26 178.28 1p8a n ILE 15 N -3.98 0.02 -4.41 -1.44 5.41 -1.25 -4.25 119.36 109.47 1p8a n ILE 15 Ca -0.25 -0.18 -0.22 0.00 1.00 0.00 0.00 62.75 63.11 1p8a n ILE 15 Cb 0.69 0.28 -0.16 0.00 -0.71 0.00 0.00 39.64 39.74 1p8a n ILE 15 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1p8a n ARG 17 N 3.60 0.00 -0.26 0.00 1.74 -1.26 -4.34 116.66 116.15 1p8a n ARG 17 Ca -0.21 0.00 0.01 0.00 -0.77 0.00 0.00 57.85 56.87 1p8a n ARG 17 Cb 0.53 0.00 0.08 0.00 -1.02 0.00 0.00 32.46 32.04 1p8a n ARG 17 CO 0.00 0.00 0.00 0.77 -1.52 0.00 0.00 177.63 176.88 1p8a h SER 18 N 0.00 -0.79 1.21 0.55 0.02 -1.86 0.89 113.55 113.57 1p8a h SER 18 Ca 0.00 0.23 0.00 0.00 -0.84 0.00 0.00 61.79 61.18 1p8a h SER 18 Cb 0.00 0.49 0.00 0.00 0.14 0.00 0.00 62.40 63.03 1p8a h SER 18 CO 0.00 -0.26 0.00 1.55 -1.14 0.00 0.00 176.83 176.98 1p8a h PRO 19 N -0.02 0.00 0.00 3.45 0.13 -1.76 -2.84 132.00 130.96 1p8a h PRO 19 Ca 0.34 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 65.44 1p8a h PRO 19 Cb 0.55 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.68 1p8a h PRO 19 CO -0.77 0.00 -0.17 0.00 -0.23 0.00 0.00 178.00 176.82 1p8a h ALA 20 N 2.00 1.07 -0.16 -0.56 0.00 0.49 -2.74 119.26 119.37 1p8a h ALA 20 Ca 0.00 -0.16 -0.09 0.00 0.00 0.00 0.00 54.91 54.66 1p8a h ALA 20 Cb 0.61 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.35 1p8a h ALA 20 CO 0.00 0.22 -0.30 0.00 0.00 0.00 0.00 179.25 179.17 1p8a h GLU 22 N 0.27 -0.57 -0.23 0.00 4.81 -1.65 0.24 114.58 117.45 1p8a h GLU 22 Ca 0.04 0.04 -0.05 0.00 -0.13 0.00 0.00 59.36 59.26 1p8a h GLU 22 Cb 0.67 0.13 -0.01 0.00 0.63 0.00 0.00 28.75 30.17 1p8a h GLU 22 CO 0.05 -0.38 -0.04 0.78 -0.73 0.00 0.00 179.01 178.69 1p8a h GLY 23 N -0.59 0.46 0.47 1.92 0.00 -1.66 -1.07 103.07 102.61 1p8a h GLY 23 Ca -0.02 -0.37 0.02 0.00 0.00 0.00 0.00 47.33 46.96 1p8a h GLY 23 CO -0.01 0.34 -0.26 1.19 0.00 0.00 0.00 176.54 177.80 1p8a h ILE 24 N 0.17 0.41 0.08 2.60 6.09 -1.07 -1.32 117.51 124.47 1p8a h ILE 24 Ca 0.06 0.00 -0.00 0.00 -1.37 0.00 0.00 64.86 63.55 1p8a h ILE 24 Cb 0.48 0.41 0.00 0.00 0.47 0.00 0.00 36.82 38.19 1p8a h ILE 24 CO 0.02 0.00 -0.04 0.00 -3.07 0.00 0.00 178.15 175.06 1p8a h ARG 26 N -0.12 -0.10 0.00 0.00 3.08 -0.88 0.74 114.38 117.10 1p8a h ARG 26 Ca -0.01 0.01 -0.00 0.00 0.07 0.00 0.00 59.98 60.05 1p8a h ARG 26 Cb 0.10 0.02 -0.00 0.00 0.08 0.00 0.00 29.97 30.17 1p8a h ARG 26 CO 0.02 -0.07 -0.00 0.22 -1.07 0.00 0.00 179.97 179.07 1p8a h ASP 27 N -0.10 0.00 0.00 7.04 1.82 -0.98 0.64 116.42 124.84 1p8a h ASP 27 Ca 0.27 0.00 -0.11 0.00 -0.39 0.00 0.00 57.03 56.80 1p8a h ASP 27 Cb 0.54 0.00 0.01 0.00 0.68 0.00 0.00 39.33 40.56 1p8a h ASP 27 CO -0.70 0.00 -0.45 -0.03 -1.61 0.00 0.00 179.24 176.46 1p8a h MET 28 N 0.00 0.29 0.00 0.28 4.05 0.41 -3.42 114.93 116.54 1p8a h MET 28 Ca -0.00 -0.32 0.00 0.00 -0.28 0.00 0.00 59.70 59.10 1p8a h MET 28 Cb 0.71 0.09 0.00 0.00 -0.80 0.00 0.00 31.60 31.60 1p8a h MET 28 CO 0.00 1.03 -0.04 0.28 0.23 0.00 0.00 176.91 178.41 1p8a n VAL 29 N -4.35 0.00 -2.07 -5.77 0.31 0.73 -5.06 118.33 102.13 1p8a n VAL 29 Ca -0.10 -0.05 0.00 0.00 -0.01 0.00 0.00 64.34 64.17 1p8a n VAL 29 Cb 0.60 0.76 0.00 0.00 -0.91 0.00 0.00 33.84 34.29 1p8a n VAL 29 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1p8a n GLY 30 N 0.21 -5.20 3.58 2.92 0.00 0.22 -4.62 105.19 102.30 1p8a n GLY 30 Ca 0.00 -0.24 -0.35 0.00 0.00 0.00 0.00 46.02 45.42 1p8a n GLY 30 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1p8a n ASP 31 N 1.58 -5.34 -0.04 1.61 2.03 -1.26 -4.89 116.55 110.24 1p8a n ASP 31 Ca 0.00 -0.37 0.01 0.00 0.52 0.00 0.00 54.79 54.94 1p8a n ASP 31 Cb 0.00 -1.67 0.01 0.00 -0.72 0.00 0.00 41.12 38.74 1p8a n ASP 31 CO 0.00 0.00 0.00 2.29 -1.92 0.00 0.00 177.20 177.57 1p8a n LYS 32 N -0.83 1.25 0.00 -0.67 0.00 -1.26 -5.02 118.16 111.63 1p8a n LYS 32 Ca -0.15 -1.04 0.00 0.00 -0.00 0.00 0.00 58.31 57.12 1p8a n LYS 32 Cb 0.69 -0.75 0.00 0.00 -0.00 0.00 0.00 35.03 34.97 1p8a n LYS 32 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.40 178.68 1p8a n LEU 33 N -0.27 0.00 -0.12 -5.58 4.77 -1.26 -4.27 117.00 110.26 1p8a n LEU 33 Ca 0.01 0.00 0.10 0.00 -0.03 0.00 0.00 56.01 56.09 1p8a n LEU 33 Cb 0.42 0.00 0.19 0.00 -2.33 0.00 0.00 43.42 41.71 1p8a n LEU 33 CO 0.00 0.00 0.37 2.30 -1.33 0.00 0.00 177.39 178.73 1p8a n ILE 34 N 0.00 -0.16 -1.77 -0.08 -6.64 0.19 -3.49 119.36 107.42 1p8a n ILE 34 Ca 0.00 0.76 -0.19 0.00 -1.77 0.00 0.00 62.75 61.56 1p8a n ILE 34 Cb 0.00 -1.21 -0.07 0.00 -1.44 0.00 0.00 39.64 36.92 1p8a n ILE 34 CO 0.00 0.00 0.00 -0.51 -1.77 0.00 0.00 176.55 174.27 1p8a s ILE 35 N -4.70 3.20 -0.54 7.28 2.07 -1.26 -0.44 121.20 126.80 1p8a s ILE 35 Ca -0.04 -0.21 0.07 0.00 -1.41 0.00 0.00 60.65 59.06 1p8a s ILE 35 Cb 0.12 -3.62 0.28 0.00 0.13 0.00 0.00 42.46 39.37 1p8a s ILE 35 CO 0.29 -0.40 0.74 0.47 -1.91 0.00 0.00 174.94 174.13 1p8a n ASP 36 N 17.05 2.77 -4.66 4.50 8.00 0.52 -4.91 116.55 139.81 1p8a n ASP 36 Ca 0.44 -3.28 -0.37 0.00 0.71 0.00 0.00 54.79 52.29 1p8a n ASP 36 Cb 0.45 -0.63 0.06 0.00 -0.02 0.00 0.00 41.12 40.98 1p8a n ASP 36 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 1p8a n SER 37 N 0.68 1.31 -1.33 -2.24 7.64 -1.26 -0.68 113.62 117.74 1p8a n SER 37 Ca 0.28 0.80 -0.01 0.00 1.01 0.00 0.00 58.87 60.95 1p8a n SER 37 Cb 0.46 -1.46 0.00 0.00 -1.01 0.00 0.00 64.21 62.20 1p8a n SER 37 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1p8a n ALA 38 N -1.88 -0.36 -3.66 -0.43 0.00 -0.28 -4.69 120.51 109.21 1p8a n ALA 38 Ca 0.15 -0.19 -0.10 0.00 0.00 0.00 0.00 53.44 53.29 1p8a n ALA 38 Cb 0.48 0.13 -0.11 0.00 0.00 0.00 0.00 19.45 19.95 1p8a n ALA 38 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1p8a s ALA 39 N -1.17 -0.93 0.18 0.00 0.00 -1.26 -3.87 121.76 114.71 1p8a s ALA 39 Ca 0.03 1.30 -0.08 0.00 0.00 0.00 0.00 51.96 53.21 1p8a s ALA 39 Cb -0.01 -1.18 0.08 0.00 0.00 0.00 0.00 23.12 22.02 1p8a s ALA 39 CO 0.01 -0.67 1.61 0.00 0.00 0.00 0.00 175.76 176.72 1p8a h THR 40 N 6.16 1.27 -3.67 0.00 1.03 -1.93 -3.07 112.91 112.70 1p8a h THR 40 Ca -0.17 -1.25 -0.53 0.00 -0.01 0.00 0.00 66.41 64.45 1p8a h THR 40 Cb 1.12 0.97 -0.32 0.00 -1.07 0.00 0.00 68.15 68.84 1p8a h THR 40 CO 0.14 0.44 -0.82 -0.55 -0.01 0.00 0.00 175.52 174.72 1p8a s SER 41 N -6.66 1.89 0.00 0.00 0.15 -1.26 -4.54 113.70 103.27 1p8a s SER 41 Ca -0.11 -0.31 0.00 0.00 0.70 0.00 0.00 55.95 56.23 1p8a s SER 41 Cb 0.13 -0.68 0.00 0.00 -1.71 0.00 0.00 66.02 63.76 1p8a s SER 41 CO 0.86 0.09 0.31 0.61 1.20 0.00 0.00 173.24 176.31 1p8a n GLY 42 N 3.45 -1.12 5.10 9.45 0.00 -1.26 -2.42 105.19 118.39 1p8a n GLY 42 Ca -0.20 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.82 1p8a n GLY 42 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1p8a n PHE 43 N -0.51 0.00 -2.95 1.61 -0.00 -1.26 -4.14 117.46 110.21 1p8a n PHE 43 Ca 0.00 0.00 -0.44 0.00 -0.00 0.00 0.00 57.45 57.01 1p8a n PHE 43 Cb 0.00 0.00 -0.03 0.00 -0.00 0.00 0.00 39.48 39.45 1p8a n PHE 43 CO 0.00 0.00 0.00 -1.01 -0.00 0.00 0.00 176.76 175.75 1p8a s HIS 44 N 0.00 3.12 0.34 -5.13 3.76 -1.26 -4.99 115.29 111.14 1p8a s HIS 44 Ca 0.00 -1.35 0.03 0.00 -0.15 0.00 0.00 55.06 53.59 1p8a s HIS 44 Cb 0.00 -4.25 -0.05 0.00 1.11 0.00 0.00 32.58 29.40 1p8a s HIS 44 CO 0.00 -1.47 0.10 0.08 -0.85 0.00 0.00 174.74 172.60 1p8a s VAL 45 N 2.65 0.81 -1.67 -0.90 1.01 -1.26 -4.67 120.40 116.37 1p8a s VAL 45 Ca 0.30 -2.00 0.00 0.00 0.00 0.00 0.00 61.98 60.28 1p8a s VAL 45 Cb -0.07 -2.58 0.00 0.00 0.00 0.00 0.00 36.38 33.73 1p8a s VAL 45 CO -0.08 0.00 0.00 0.61 0.00 0.00 0.00 175.10 175.63 1p8a n GLY 46 N -0.73 1.50 3.63 4.51 0.00 -1.26 -4.86 105.19 107.99 1p8a n GLY 46 Ca -0.03 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 45.96 1p8a n GLY 46 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1p8a s GLN 47 N -3.30 0.13 0.00 1.61 -2.07 -1.26 -5.15 119.66 109.61 1p8a s GLN 47 Ca 0.00 0.01 0.00 0.00 -1.82 0.00 0.00 55.36 53.55 1p8a s GLN 47 Cb 0.00 0.06 0.00 0.00 -1.09 0.00 0.00 33.01 31.98 1p8a s GLN 47 CO 0.00 -0.04 0.00 0.45 -1.32 0.00 0.00 175.29 174.38 1p8a n SER 48 N 0.43 0.00 -3.69 12.60 2.88 -1.26 -4.93 113.62 119.64 1p8a n SER 48 Ca -0.00 0.00 -0.42 0.00 -1.33 0.00 0.00 58.87 57.11 1p8a n SER 48 Cb 0.58 0.00 -0.06 0.00 -0.75 0.00 0.00 64.21 63.98 1p8a n SER 48 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 1p8a n PRO 49 N 0.00 1.41 -0.14 -1.46 -0.04 -1.26 -4.64 135.00 128.87 1p8a n PRO 49 Ca 0.00 -1.84 0.02 0.00 -0.04 0.00 0.00 63.50 61.64 1p8a n PRO 49 Cb 0.00 -2.95 0.07 0.00 -0.04 0.00 0.00 33.50 30.58 1p8a n PRO 49 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 1p8a n ASP 50 N 8.11 1.51 0.09 3.54 5.68 -1.26 -3.76 116.55 130.46 1p8a n ASP 50 Ca 0.49 -2.12 -0.08 0.00 -0.50 0.00 0.00 54.79 52.59 1p8a n ASP 50 Cb 0.41 -0.38 0.01 0.00 -1.14 0.00 0.00 41.12 40.03 1p8a n ASP 50 CO 0.00 0.00 0.00 0.74 -1.33 0.00 0.00 177.20 176.61 1p8a h THR 51 N 0.81 1.49 0.17 2.12 2.02 -1.97 -0.51 112.91 117.04 1p8a h THR 51 Ca 0.00 -2.54 -0.01 0.00 0.77 0.00 0.00 66.41 64.63 1p8a h THR 51 Cb 0.57 2.41 0.00 0.00 -1.74 0.00 0.00 68.15 69.39 1p8a h THR 51 CO 0.06 0.74 -0.08 0.03 0.37 0.00 0.00 175.52 176.64 1p8a h ARG 52 N 0.11 -0.22 0.26 6.66 3.08 -1.98 0.66 114.38 122.94 1p8a h ARG 52 Ca -0.04 0.02 -0.01 0.00 0.07 0.00 0.00 59.98 60.02 1p8a h ARG 52 Cb 1.45 0.05 -0.01 0.00 0.08 0.00 0.00 29.97 31.54 1p8a h ARG 52 CO 0.13 0.15 -0.18 1.03 -1.07 0.00 0.00 179.97 180.03 1p8a h SER 53 N -0.94 -0.46 -0.52 7.04 0.87 -1.79 -1.35 113.55 116.41 1p8a h SER 53 Ca -0.02 0.03 0.04 0.00 -1.23 0.00 0.00 61.79 60.61 1p8a h SER 53 Cb 0.48 0.15 -0.04 0.00 -0.44 0.00 0.00 62.40 62.54 1p8a h SER 53 CO 0.04 -0.29 0.27 -0.61 -0.53 0.00 0.00 176.83 175.72 1p8a h GLN 54 N -0.44 0.52 0.04 2.24 4.15 -1.20 0.19 115.11 120.61 1p8a h GLN 54 Ca -0.02 -0.03 0.01 0.00 0.77 0.00 0.00 58.65 59.38 1p8a h GLN 54 Cb 0.38 -0.12 -0.02 0.00 0.21 0.00 0.00 27.48 27.93 1p8a h GLN 54 CO 0.01 0.34 -0.24 -0.22 -1.93 0.00 0.00 178.83 176.79 1p8a h LYS 55 N 0.53 -0.32 -0.61 1.69 3.64 -0.42 0.24 116.57 121.32 1p8a h LYS 55 Ca 0.22 0.02 0.09 0.00 -1.27 0.00 0.00 60.65 59.72 1p8a h LYS 55 Cb 0.11 0.07 -0.04 0.00 -0.41 0.00 0.00 32.23 31.97 1p8a h LYS 55 CO -0.14 -0.22 0.41 -0.24 -2.27 0.00 0.00 179.45 176.99 1p8a h VAL 56 N -0.34 0.91 -0.38 2.00 3.04 -1.10 -0.31 116.25 120.08 1p8a h VAL 56 Ca -0.00 -0.16 0.04 0.00 -1.01 0.00 0.00 66.70 65.58 1p8a h VAL 56 Cb 0.34 0.42 -0.04 0.00 -2.01 0.00 0.00 31.29 30.00 1p8a h VAL 56 CO -0.14 0.08 0.13 0.00 -1.01 0.00 0.00 177.57 176.64 1p8a h LYS 58 N 0.29 0.04 0.00 0.00 3.64 0.13 1.06 116.57 121.73 1p8a h LYS 58 Ca 0.17 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.52 1p8a h LYS 58 Cb 0.15 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 31.98 1p8a h LYS 58 CO -0.18 0.72 0.00 0.43 -2.27 0.00 0.00 179.45 178.15 1p8a n SER 59 N -3.73 0.34 -0.01 4.20 7.64 -0.24 -3.62 113.62 118.20 1p8a n SER 59 Ca -0.01 0.54 -0.01 0.00 1.01 0.00 0.00 58.87 60.40 1p8a n SER 59 Cb 0.68 -0.63 -0.03 0.00 -1.01 0.00 0.00 64.21 63.22 1p8a n SER 59 CO 0.00 0.00 0.00 -3.20 -3.01 0.00 0.00 175.04 168.83 1p8a n ASN 60 N -1.83 4.02 0.00 6.43 2.85 0.17 -5.04 115.26 121.87 1p8a n ASN 60 Ca 0.06 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.53 1p8a n ASN 60 Cb 0.34 0.78 0.00 0.00 1.24 0.00 0.00 39.78 42.14 1p8a n ASN 60 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1p8a n GLY 61 N 2.61 2.05 3.77 8.20 0.00 0.35 -5.06 105.19 117.11 1p8a n GLY 61 Ca -0.05 -0.12 -0.06 0.00 0.00 0.00 0.00 46.02 45.79 1p8a n GLY 61 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1p8a s VAL 62 N 0.00 0.00 -0.45 1.61 1.01 -0.51 -4.37 120.40 117.70 1p8a s VAL 62 Ca 0.00 -0.75 0.07 0.00 0.00 0.00 0.00 61.98 61.30 1p8a s VAL 62 Cb 0.00 -1.87 0.27 0.00 0.00 0.00 0.00 36.38 34.78 1p8a s VAL 62 CO 0.00 0.00 0.83 -0.67 0.00 0.00 0.00 175.10 175.26 1p8a n ASP 63 N -0.45 -1.72 -2.91 3.32 -0.08 -1.26 -4.73 116.55 108.72 1p8a n ASP 63 Ca -0.06 -3.21 -0.10 0.00 -1.51 0.00 0.00 54.79 49.91 1p8a n ASP 63 Cb 0.60 1.04 -0.01 0.00 2.34 0.00 0.00 41.12 45.09 1p8a n ASP 63 CO 0.00 0.00 0.00 2.30 0.12 0.00 0.00 177.20 179.62 1p8a n ILE 64 N 1.22 0.00 -3.25 5.18 -5.35 -1.26 -4.87 119.36 111.03 1p8a n ILE 64 Ca 0.13 -0.77 -0.09 0.00 -0.27 0.00 0.00 62.75 61.75 1p8a n ILE 64 Cb 0.62 -0.01 -0.04 0.00 -1.74 0.00 0.00 39.64 38.47 1p8a n ILE 64 CO 0.00 0.00 0.00 -0.55 -1.76 0.00 0.00 176.55 174.24 1p8a s SER 65 N -1.98 -0.17 0.57 7.28 0.15 -1.26 -5.12 113.70 113.17 1p8a s SER 65 Ca 0.03 -1.34 0.00 0.00 0.70 0.00 0.00 55.95 55.34 1p8a s SER 65 Cb -0.00 1.22 0.00 0.00 -1.71 0.00 0.00 66.02 65.52 1p8a s SER 65 CO 0.02 -0.20 0.00 0.29 1.20 0.00 0.00 173.24 174.55 1p8a n LYS 66 N 4.13 -3.63 -3.56 5.44 4.01 -1.26 -5.04 118.16 118.25 1p8a n LYS 66 Ca 0.13 2.87 -0.00 0.00 -0.51 0.00 0.00 58.31 60.79 1p8a n LYS 66 Cb 0.51 -3.78 -0.06 0.00 -0.51 0.00 0.00 35.03 31.20 1p8a n LYS 66 CO 0.00 0.00 0.00 1.14 -1.11 0.00 0.00 177.40 177.43 1p8a s GLN 67 N -5.04 0.27 0.00 1.97 -2.07 -1.26 -5.13 119.66 108.40 1p8a s GLN 67 Ca 0.00 0.52 0.00 0.00 -1.82 0.00 0.00 55.36 54.06 1p8a s GLN 67 Cb 0.00 0.15 0.00 0.00 -1.09 0.00 0.00 33.01 32.07 1p8a s GLN 67 CO 0.00 -0.07 0.00 0.54 -1.32 0.00 0.00 175.29 174.44 1p8a n ARG 68 N 3.94 0.00 0.00 9.60 1.74 -1.26 -4.90 116.66 125.78 1p8a n ARG 68 Ca -0.15 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 56.93 1p8a n ARG 68 Cb 0.56 -0.00 0.00 0.00 -1.02 0.00 0.00 32.46 32.00 1p8a n ARG 68 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1p8a n ALA 69 N -2.87 0.00 -1.76 7.54 0.00 -1.26 -4.51 120.51 117.65 1p8a n ALA 69 Ca 0.00 0.00 -0.39 0.00 0.00 0.00 0.00 53.44 53.05 1p8a n ALA 69 Cb 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.40 1p8a n ALA 69 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 1p8a s ARG 70 N 0.00 4.63 0.58 0.00 3.52 -1.26 -4.85 118.95 121.57 1p8a s ARG 70 Ca 0.00 1.63 -0.18 0.00 -0.13 0.00 0.00 55.73 57.05 1p8a s ARG 70 Cb 0.00 -3.09 -0.04 0.00 -1.56 0.00 0.00 34.95 30.26 1p8a s ARG 70 CO 0.00 0.26 1.11 -1.14 -0.81 0.00 0.00 175.30 174.72 1p8a s GLN 71 N -1.56 3.23 0.65 5.12 2.00 -1.26 -4.59 119.66 123.25 1p8a s GLN 71 Ca 0.46 1.49 -0.02 0.00 -2.00 0.00 0.00 55.36 55.29 1p8a s GLN 71 Cb -0.28 -2.00 0.07 0.00 0.80 0.00 0.00 33.01 31.61 1p8a s GLN 71 CO 0.35 -0.92 0.91 -1.50 -0.50 0.00 0.00 175.29 173.63 1p8a s ILE 72 N -2.02 2.40 0.39 -2.34 2.07 -1.16 -4.97 121.20 115.57 1p8a s ILE 72 Ca 0.70 -0.54 0.04 0.00 -1.41 0.00 0.00 60.65 59.44 1p8a s ILE 72 Cb -0.21 -2.86 -0.06 0.00 0.13 0.00 0.00 42.46 39.46 1p8a s ILE 72 CO 0.31 0.00 0.04 0.28 -1.91 0.00 0.00 174.94 173.67 1p8a s THR 73 N -3.02 1.39 -2.00 4.00 -1.32 -1.26 -5.01 115.64 108.42 1p8a s THR 73 Ca 0.61 -2.00 0.21 0.00 -1.21 0.00 0.00 61.69 59.30 1p8a s THR 73 Cb -0.09 -2.72 0.60 0.00 -1.51 0.00 0.00 72.50 68.78 1p8a s THR 73 CO 0.42 0.00 1.75 0.29 -2.21 0.00 0.00 174.62 174.87 1p8a n LYS 74 N -0.89 0.92 0.02 7.08 5.02 -1.26 -2.91 118.16 126.13 1p8a n LYS 74 Ca -0.06 0.00 0.11 0.00 -2.02 0.00 0.00 58.31 56.34 1p8a n LYS 74 Cb 0.67 -1.36 0.05 0.00 -0.02 0.00 0.00 35.03 34.36 1p8a n LYS 74 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1p8a n ALA 75 N -0.86 3.58 -0.30 7.82 0.00 -1.26 -4.22 120.51 125.27 1p8a n ALA 75 Ca 0.16 -0.42 0.07 0.00 0.00 0.00 0.00 53.44 53.25 1p8a n ALA 75 Cb 0.07 -0.97 0.22 0.00 0.00 0.00 0.00 19.45 18.77 1p8a n ALA 75 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 1p8a h ASP 76 N 0.00 0.61 -0.59 0.00 5.19 -1.94 -1.73 116.42 117.96 1p8a h ASP 76 Ca 0.00 0.08 0.09 0.00 -0.62 0.00 0.00 57.03 56.58 1p8a h ASP 76 Cb 0.66 -0.03 -0.11 0.00 0.18 0.00 0.00 39.33 40.04 1p8a h ASP 76 CO 0.00 0.28 -0.40 -0.26 -3.12 0.00 0.00 179.24 175.74 1p8a h PHE 77 N 0.70 -1.17 -0.61 4.55 0.04 -1.83 0.40 116.94 119.02 1p8a h PHE 77 Ca 0.46 0.08 -0.25 0.00 2.80 0.00 0.00 57.97 61.06 1p8a h PHE 77 Cb 0.60 0.60 -0.15 0.00 2.20 0.00 0.00 35.95 39.20 1p8a h PHE 77 CO -0.07 -0.41 0.32 -1.13 -0.60 0.00 0.00 178.31 176.41 1p8a n SER 78 N -5.42 3.79 -0.00 2.17 3.41 -0.80 -4.00 113.62 112.77 1p8a n SER 78 Ca 0.03 -2.98 0.08 0.00 -0.26 0.00 0.00 58.87 55.73 1p8a n SER 78 Cb 0.35 -0.71 -0.10 0.00 -0.26 0.00 0.00 64.21 63.50 1p8a n SER 78 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 175.04 176.05 1p8a n LYS 79 N -0.31 1.50 0.00 4.33 3.00 0.14 -5.02 118.16 121.80 1p8a n LYS 79 Ca 0.35 -0.02 0.00 0.00 -0.00 0.00 0.00 58.31 58.64 1p8a n LYS 79 Cb 1.20 -1.28 0.00 0.00 0.00 0.00 0.00 35.03 34.95 1p8a n LYS 79 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.40 178.59 1p8a n PHE 80 N -1.46 0.00 0.03 5.64 3.01 -1.21 -5.05 117.46 118.42 1p8a n PHE 80 Ca 0.02 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.48 1p8a n PHE 80 Cb 0.27 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.74 1p8a n PHE 80 CO 0.00 0.00 0.00 -3.47 1.01 0.00 0.00 176.76 174.30 1p8a n ASP 81 N 0.00 0.20 -3.86 4.37 -0.08 -0.65 -4.89 116.55 111.65 1p8a n ASP 81 Ca 0.00 0.10 -0.23 0.00 -1.51 0.00 0.00 54.79 53.15 1p8a n ASP 81 Cb 0.00 -0.01 -0.17 0.00 2.34 0.00 0.00 41.12 43.28 1p8a n ASP 81 CO 0.00 0.00 0.00 -0.69 0.12 0.00 0.00 177.20 176.63 1p8a s VAL 82 N -2.00 0.63 -0.52 5.18 1.01 -0.19 -2.97 120.40 121.54 1p8a s VAL 82 Ca 0.00 -0.09 -0.21 0.00 0.00 0.00 0.00 61.98 61.68 1p8a s VAL 82 Cb 0.00 -0.70 0.05 0.00 0.00 0.00 0.00 36.38 35.73 1p8a s VAL 82 CO 0.00 0.28 0.77 -0.63 0.00 0.00 0.00 175.10 175.52 1p8a s ILE 83 N 1.51 4.66 0.07 2.22 1.01 0.43 -0.29 121.20 130.81 1p8a s ILE 83 Ca -0.01 -0.13 -0.12 0.00 0.00 0.00 0.00 60.65 60.38 1p8a s ILE 83 Cb -0.13 -4.40 -0.06 0.00 0.01 0.00 0.00 42.46 37.87 1p8a s ILE 83 CO -0.04 -0.94 0.44 0.00 0.00 0.00 0.00 174.94 174.41 1p8a s ALA 84 N 3.22 3.68 0.04 9.38 0.00 0.15 -0.22 121.76 138.00 1p8a s ALA 84 Ca 0.22 -0.27 0.01 0.00 0.00 0.00 0.00 51.96 51.92 1p8a s ALA 84 Cb -0.16 -2.37 -0.04 0.00 0.00 0.00 0.00 23.12 20.55 1p8a s ALA 84 CO 0.15 0.51 0.11 0.00 0.00 0.00 0.00 175.76 176.54 1p8a s ALA 85 N -1.32 3.70 -0.46 0.00 0.00 0.10 -1.40 121.76 122.38 1p8a s ALA 85 Ca 0.32 -0.90 0.03 0.00 0.00 0.00 0.00 51.96 51.40 1p8a s ALA 85 Cb -0.15 -1.61 0.59 0.00 0.00 0.00 0.00 23.12 21.95 1p8a s ALA 85 CO 0.17 0.74 1.89 -0.11 0.00 0.00 0.00 175.76 178.45 1p8a n LEU 86 N 0.75 6.68 0.00 0.00 7.94 0.15 0.17 117.00 132.70 1p8a n LEU 86 Ca -0.10 -3.59 0.00 0.00 -1.11 0.00 0.00 56.01 51.21 1p8a n LEU 86 Cb 0.52 -0.85 0.00 0.00 0.53 0.00 0.00 43.42 43.62 1p8a n LEU 86 CO 0.43 1.09 0.00 -0.67 -1.11 0.00 0.00 177.39 177.13 1p8a n ASP 87 N -0.99 0.00 -0.04 1.96 -0.08 -1.26 -4.88 116.55 111.26 1p8a n ASP 87 Ca 0.56 0.00 -0.05 0.00 -1.51 0.00 0.00 54.79 53.80 1p8a n ASP 87 Cb 1.43 0.00 -0.05 0.00 2.34 0.00 0.00 41.12 44.84 1p8a n ASP 87 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1p8a n GLN 88 N 0.00 1.62 -0.23 -0.67 6.02 -1.26 -4.51 117.38 118.36 1p8a n GLN 88 Ca 0.00 0.02 -0.05 0.00 -0.01 0.00 0.00 57.00 56.96 1p8a n GLN 88 Cb 0.00 -1.18 0.05 0.00 1.02 0.00 0.00 30.24 30.12 1p8a n GLN 88 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 177.06 177.08 1p8a h SER 89 N 0.00 0.74 0.54 1.08 0.87 -1.96 -0.55 113.55 114.27 1p8a h SER 89 Ca -0.20 -0.02 -0.02 0.00 -1.23 0.00 0.00 61.79 60.32 1p8a h SER 89 Cb 1.38 -0.18 -0.00 0.00 -0.44 0.00 0.00 62.40 63.16 1p8a h SER 89 CO -0.01 0.54 -0.35 0.40 -0.53 0.00 0.00 176.83 176.88 1p8a h ILE 90 N 0.88 0.00 -0.92 2.23 5.03 -1.82 0.23 117.51 123.14 1p8a h ILE 90 Ca 0.24 0.00 0.17 0.00 -0.12 0.00 0.00 64.86 65.15 1p8a h ILE 90 Cb -0.10 0.00 -0.08 0.00 -3.03 0.00 0.00 36.82 33.62 1p8a h ILE 90 CO -0.05 0.00 0.59 0.25 -0.68 0.00 0.00 178.15 178.25 1p8a h LEU 91 N -0.83 0.62 -1.06 1.44 5.85 -1.77 0.49 115.31 120.05 1p8a h LEU 91 Ca -0.07 0.05 -0.08 0.00 0.84 0.00 0.00 57.88 58.62 1p8a h LEU 91 Cb 0.67 -0.07 -0.01 0.00 0.37 0.00 0.00 40.66 41.62 1p8a h LEU 91 CO 0.06 0.28 -0.37 -1.28 -0.34 0.00 0.00 178.44 176.80 1p8a h SER 92 N 0.64 0.00 0.00 1.25 0.87 -0.66 -2.70 113.55 112.95 1p8a h SER 92 Ca 0.48 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 61.04 1p8a h SER 92 Cb 0.86 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.82 1p8a h SER 92 CO -0.23 0.37 -0.49 0.47 -0.53 0.00 0.00 176.83 176.42 1p8a n ASP 93 N -3.65 1.49 -0.34 6.23 9.92 0.80 -3.67 116.55 127.34 1p8a n ASP 93 Ca -0.01 0.51 0.23 0.00 -0.53 0.00 0.00 54.79 54.99 1p8a n ASP 93 Cb 0.48 -0.78 0.46 0.00 -0.64 0.00 0.00 41.12 40.63 1p8a n ASP 93 CO 0.00 0.00 0.00 -0.29 0.13 0.00 0.00 177.20 177.04 1p8a h ILE 94 N -0.81 0.35 0.00 0.53 2.10 -0.35 2.03 117.51 121.36 1p8a h ILE 94 Ca 0.00 -0.13 0.00 0.00 1.08 0.00 0.00 64.86 65.81 1p8a h ILE 94 Cb 0.49 -0.06 0.00 0.00 -1.09 0.00 0.00 36.82 36.16 1p8a h ILE 94 CO 0.00 0.07 0.00 -1.13 -1.08 0.00 0.00 178.15 176.01 1p8a h ASN 95 N 0.38 0.00 1.01 2.19 -0.73 -1.65 -2.52 115.58 114.26 1p8a h ASN 95 Ca 0.71 0.00 0.00 0.00 1.87 0.00 0.00 56.30 58.88 1p8a h ASN 95 Cb 1.58 0.00 0.00 0.00 0.27 0.00 0.00 38.32 40.17 1p8a h ASN 95 CO -0.57 0.00 0.00 -0.24 -0.37 0.00 0.00 177.43 176.25 1p8a n SER 96 N -2.32 0.38 -0.06 1.15 2.88 0.69 -4.03 113.62 112.30 1p8a n SER 96 Ca 0.03 0.55 -0.13 0.00 -1.33 0.00 0.00 58.87 57.99 1p8a n SER 96 Cb 0.28 -0.65 -0.04 0.00 -0.75 0.00 0.00 64.21 63.04 1p8a n SER 96 CO 0.00 0.00 0.00 0.23 -1.23 0.00 0.00 175.04 174.04 1p8a n MET 97 N -1.88 0.30 -1.46 -1.46 2.81 -0.98 -5.00 117.12 109.45 1p8a n MET 97 Ca 0.05 0.13 -0.53 0.00 -1.81 0.00 0.00 57.70 55.54 1p8a n MET 97 Cb 0.32 -1.01 -0.05 0.00 -0.71 0.00 0.00 33.22 31.77 1p8a n MET 97 CO 0.00 0.00 0.00 1.63 1.51 0.00 0.00 175.97 179.11 1p8a n LYS 98 N -3.72 0.12 0.00 0.03 5.02 -1.04 -4.93 118.16 113.63 1p8a n LYS 98 Ca -0.24 0.04 0.00 0.00 -2.02 0.00 0.00 58.31 56.09 1p8a n LYS 98 Cb 0.61 -1.32 0.00 0.00 -0.02 0.00 0.00 35.03 34.30 1p8a n LYS 98 CO 0.00 0.00 0.00 -0.35 -0.52 0.00 0.00 177.40 176.53 1p8a n PRO 99 N 1.30 -0.62 -0.59 1.97 -0.04 -1.26 -4.91 135.00 130.85 1p8a n PRO 99 Ca 0.19 0.00 -0.03 0.00 -0.04 0.00 0.00 63.50 63.62 1p8a n PRO 99 Cb 0.17 0.00 0.18 0.00 -0.04 0.00 0.00 33.50 33.81 1p8a n PRO 99 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1p8a n SER 100 N -2.88 3.60 -3.37 3.54 2.88 -1.26 -4.80 113.62 111.34 1p8a n SER 100 Ca 0.00 -2.68 0.03 0.00 -1.33 0.00 0.00 58.87 54.88 1p8a n SER 100 Cb 0.00 -0.64 -0.05 0.00 -0.75 0.00 0.00 64.21 62.77 1p8a n SER 100 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 1p8a s ASN 101 N -0.39 -0.17 0.00 -3.46 4.22 -1.26 -5.18 114.94 108.70 1p8a s ASN 101 Ca 0.32 0.25 0.00 0.00 -2.14 0.00 0.00 52.86 51.29 1p8a s ASN 101 Cb 0.25 1.16 0.00 0.00 1.28 0.00 0.00 41.25 43.94 1p8a s ASN 101 CO 0.08 -0.04 0.00 0.00 -2.04 0.00 0.00 177.10 175.10 1p8a n ARG 103 N 0.00 0.89 0.00 0.00 3.00 -1.26 -5.05 116.66 114.24 1p8a n ARG 103 Ca 0.00 -0.03 0.00 0.00 -0.01 0.00 0.00 57.85 57.81 1p8a n ARG 103 Cb 0.00 -1.04 0.00 0.00 0.00 0.00 0.00 32.46 31.42 1p8a n ARG 103 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1p8a n ALA 104 N -1.56 0.00 -3.64 7.54 0.00 -1.26 -5.06 120.51 116.53 1p8a n ALA 104 Ca -0.01 0.00 -0.08 0.00 0.00 0.00 0.00 53.44 53.36 1p8a n ALA 104 Cb 0.10 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.52 1p8a n ALA 104 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1p8a s LYS 105 N 2.27 1.69 0.05 0.00 1.02 -1.16 -5.05 119.74 118.56 1p8a s LYS 105 Ca 0.00 -1.03 0.06 0.00 0.02 0.00 0.00 55.97 55.02 1p8a s LYS 105 Cb 0.00 0.57 -0.02 0.00 -0.52 0.00 0.00 37.83 37.85 1p8a s LYS 105 CO 0.00 -0.75 -0.17 0.14 -0.92 0.00 0.00 175.35 173.65 1p8a s VAL 106 N -3.94 1.33 0.22 3.17 -7.23 -1.26 -0.43 120.40 112.26 1p8a s VAL 106 Ca 0.13 -1.15 -0.05 0.00 -1.81 0.00 0.00 61.98 59.11 1p8a s VAL 106 Cb -0.04 -1.20 -0.03 0.00 0.56 0.00 0.00 36.38 35.67 1p8a s VAL 106 CO 0.06 0.03 0.25 -0.69 -0.31 0.00 0.00 175.10 174.44 1p8a s VAL 107 N -0.92 0.00 -0.22 1.32 1.01 0.69 -4.89 120.40 117.39 1p8a s VAL 107 Ca 0.03 -1.80 -0.05 0.00 0.00 0.00 0.00 61.98 60.16 1p8a s VAL 107 Cb -0.09 -2.40 -0.02 0.00 0.00 0.00 0.00 36.38 33.87 1p8a s VAL 107 CO 0.02 0.00 -0.01 -0.22 0.00 0.00 0.00 175.10 174.89 1p8a s LEU 108 N -3.12 3.14 0.19 3.92 0.20 -1.26 0.00 118.68 121.75 1p8a s LEU 108 Ca 0.33 -0.28 -0.17 0.00 0.69 0.00 0.00 54.13 54.70 1p8a s LEU 108 Cb 0.04 -1.81 0.15 0.00 -0.43 0.00 0.00 46.19 44.15 1p8a s LEU 108 CO 0.11 0.01 1.62 0.15 -0.29 0.00 0.00 176.35 177.96 1p8a h PHE 109 N 7.88 -0.51 -2.00 5.38 3.04 -0.59 -3.45 116.94 126.70 1p8a h PHE 109 Ca -0.38 0.05 0.28 0.00 3.98 0.00 0.00 57.97 61.90 1p8a h PHE 109 Cb 1.17 0.30 -0.05 0.00 2.56 0.00 0.00 35.95 39.93 1p8a h PHE 109 CO 0.60 -0.29 0.74 0.09 -2.02 0.00 0.00 178.31 177.43 1p8a n ASN 110 N -5.41 -1.02 -4.26 0.41 3.02 -1.26 -5.06 115.26 101.69 1p8a n ASN 110 Ca 0.04 -1.23 -0.30 0.00 -0.03 0.00 0.00 54.58 53.07 1p8a n ASN 110 Cb 0.31 1.58 0.19 0.00 -0.61 0.00 0.00 39.78 41.25 1p8a n ASN 110 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 1p8a s PRO 111 N -2.01 0.18 -0.32 3.52 0.04 -1.26 -4.49 135.00 130.66 1p8a s PRO 111 Ca 0.25 -0.04 -0.05 0.00 0.04 0.00 0.00 61.00 61.20 1p8a s PRO 111 Cb -0.01 -1.76 -0.14 0.00 0.04 0.00 0.00 34.50 32.63 1p8a s PRO 111 CO -0.00 -2.78 2.49 -0.35 0.04 0.00 0.00 177.00 176.39 1p8a n PRO 112 N -4.11 1.65 0.00 0.56 -0.04 -1.26 -3.58 135.00 128.23 1p8a n PRO 112 Ca 0.11 -0.94 0.00 0.00 -0.04 0.00 0.00 63.50 62.63 1p8a n PRO 112 Cb 0.59 -2.04 0.00 0.00 -0.04 0.00 0.00 33.50 32.02 1p8a n PRO 112 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1p8a n ASN 113 N 3.08 3.83 0.00 3.54 4.13 -1.26 -4.93 115.26 123.65 1p8a n ASN 113 Ca 0.35 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.61 1p8a n ASN 113 Cb 0.47 0.49 0.00 0.00 -1.54 0.00 0.00 39.78 39.20 1p8a n ASN 113 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1p8a n GLY 114 N 2.28 0.84 3.57 7.41 0.00 -1.23 -4.80 105.19 113.25 1p8a n GLY 114 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 1p8a n GLY 114 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1p8a s VAL 115 N 0.00 3.70 0.00 1.61 -7.23 -1.26 -4.35 120.40 112.87 1p8a s VAL 115 Ca 0.00 0.53 0.00 0.00 -1.81 0.00 0.00 61.98 60.70 1p8a s VAL 115 Cb 0.00 -4.45 0.00 0.00 0.56 0.00 0.00 36.38 32.49 1p8a s VAL 115 CO 0.00 -1.26 0.00 -0.90 -0.31 0.00 0.00 175.10 172.63 1p8a n ASP 116 N 10.07 0.19 -3.16 4.85 5.75 -1.26 -4.93 116.55 128.06 1p8a n ASP 116 Ca 0.12 0.00 -0.08 0.00 -0.01 0.00 0.00 54.79 54.82 1p8a n ASP 116 Cb 0.50 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.59 1p8a n ASP 116 CO 0.00 0.00 0.00 0.47 -0.11 0.00 0.00 177.20 177.56 1p8a n ASP 117 N 0.00 -7.24 -4.61 -1.12 9.92 -1.26 -4.80 116.55 107.44 1p8a n ASP 117 Ca 0.00 -0.08 -0.43 0.00 -0.53 0.00 0.00 54.79 53.75 1p8a n ASP 117 Cb 0.00 -4.55 -0.02 0.00 -0.64 0.00 0.00 41.12 35.90 1p8a n ASP 117 CO 0.00 0.00 0.00 -2.16 0.13 0.00 0.00 177.20 175.17 1p8a s PRO 118 N -3.19 3.66 3.32 -0.24 0.04 -1.26 -4.83 135.00 132.49 1p8a s PRO 118 Ca 0.08 1.20 0.00 0.00 0.04 0.00 0.00 61.00 62.32 1p8a s PRO 118 Cb -0.02 -4.02 0.00 0.00 0.04 0.00 0.00 34.50 30.51 1p8a s PRO 118 CO 0.78 -1.46 0.00 0.66 0.04 0.00 0.00 177.00 177.03 1p8a n TYR 119 N 8.68 0.00 0.00 0.56 4.01 -1.26 -4.73 117.16 124.43 1p8a n TYR 119 Ca 0.17 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.91 1p8a n TYR 119 Cb 0.47 0.02 0.00 0.00 -0.31 0.00 0.00 39.34 39.52 1p8a n TYR 119 CO 0.00 0.00 0.00 0.98 -0.46 0.00 0.00 176.86 177.38 1p8a n TYR 120 N 14.00 0.00 -1.55 -0.72 4.19 -1.26 -4.67 117.16 127.15 1p8a n TYR 120 Ca 0.00 0.00 0.00 0.00 3.31 0.00 0.00 57.90 61.21 1p8a n TYR 120 Cb 0.00 0.00 0.00 0.00 0.49 0.00 0.00 39.34 39.83 1p8a n TYR 120 CO 0.00 0.00 0.00 -1.13 0.91 0.00 0.00 176.86 176.64 1p8a n SER 121 N 1.70 0.00 0.00 2.98 3.41 -1.26 -5.17 113.62 115.28 1p8a n SER 121 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 1p8a n SER 121 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 1p8a n SER 121 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1p8a n SER 122 N 0.00 0.00 -0.74 4.04 3.41 -1.26 -4.72 113.62 114.35 1p8a n SER 122 Ca 0.00 0.00 -0.10 0.00 -0.26 0.00 0.00 58.87 58.51 1p8a n SER 122 Cb 0.00 0.00 -0.04 0.00 -0.26 0.00 0.00 64.21 63.91 1p8a n SER 122 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 1p8a n ASP 123 N 0.00 -4.73 0.00 4.04 -0.08 -1.26 -4.67 116.55 109.86 1p8a n ASP 123 Ca 0.00 0.24 0.00 0.00 -1.51 0.00 0.00 54.79 53.52 1p8a n ASP 123 Cb 0.00 -3.07 0.00 0.00 2.34 0.00 0.00 41.12 40.39 1p8a n ASP 123 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1p8a n GLY 124 N -1.05 0.02 0.33 0.27 0.00 -1.26 -4.71 105.19 98.80 1p8a n GLY 124 Ca -0.10 -0.03 0.03 0.00 0.00 0.00 0.00 46.02 45.93 1p8a n GLY 124 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 1p8a h PHE 125 N 0.00 -0.54 0.25 1.61 0.04 -1.89 2.29 116.94 118.70 1p8a h PHE 125 Ca 0.00 0.08 -0.01 0.00 2.80 0.00 0.00 57.97 60.84 1p8a h PHE 125 Cb 0.00 0.38 0.00 0.00 2.20 0.00 0.00 35.95 38.53 1p8a h PHE 125 CO 0.00 -0.39 -0.12 -1.00 -0.60 0.00 0.00 178.31 176.20 1p8a h PRO 126 N -0.01 -0.33 -0.72 1.51 0.13 -1.94 -3.06 132.00 127.59 1p8a h PRO 126 Ca 0.42 0.02 0.08 0.00 -0.87 0.00 0.00 66.00 65.65 1p8a h PRO 126 Cb 0.65 0.07 -0.06 0.00 0.13 0.00 0.00 31.00 31.79 1p8a h PRO 126 CO -0.92 0.01 0.39 1.15 -0.23 0.00 0.00 178.00 178.40 1p8a h THR 127 N -0.94 0.92 0.00 1.56 2.02 -1.60 -0.76 112.91 114.11 1p8a h THR 127 Ca -0.03 -0.23 0.00 0.00 0.77 0.00 0.00 66.41 66.91 1p8a h THR 127 Cb 0.49 0.17 0.00 0.00 -1.74 0.00 0.00 68.15 67.07 1p8a h THR 127 CO 0.06 0.12 0.00 0.80 0.37 0.00 0.00 175.52 176.87 1p8a n MET 128 N -4.80 0.00 -0.16 6.66 0.00 0.76 0.38 117.12 119.97 1p8a n MET 128 Ca 0.10 0.45 -0.08 0.00 0.00 0.00 0.00 57.70 58.17 1p8a n MET 128 Cb 0.23 -1.21 -0.03 0.00 0.00 0.00 0.00 33.22 32.21 1p8a n MET 128 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 175.97 176.32 1p8a h PHE 129 N 0.00 -1.10 -0.19 1.12 3.04 -1.49 0.91 116.94 119.24 1p8a h PHE 129 Ca 0.00 0.07 0.05 0.00 3.98 0.00 0.00 57.97 62.07 1p8a h PHE 129 Cb 0.00 0.55 -0.01 0.00 2.56 0.00 0.00 35.95 39.05 1p8a h PHE 129 CO -0.13 -0.41 0.41 0.00 -2.02 0.00 0.00 178.31 176.15 1p8a h ALA 130 N 0.66 1.71 0.00 2.41 0.00 -0.96 0.40 119.26 123.48 1p8a h ALA 130 Ca 0.17 -0.01 -0.10 0.00 0.00 0.00 0.00 54.91 54.98 1p8a h ALA 130 Cb 0.56 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.35 1p8a h ALA 130 CO -0.61 -0.50 -0.84 0.43 0.00 0.00 0.00 179.25 177.73 1p8a n SER 131 N -3.24 1.83 0.18 0.00 7.64 0.28 -0.89 113.62 119.42 1p8a n SER 131 Ca 0.02 0.55 0.12 0.00 1.01 0.00 0.00 58.87 60.57 1p8a n SER 131 Cb 0.51 -0.91 0.65 0.00 -1.01 0.00 0.00 64.21 63.45 1p8a n SER 131 CO 0.00 0.00 0.00 -0.29 -3.01 0.00 0.00 175.04 171.74 1p8a h ILE 132 N -1.00 0.00 0.00 0.44 2.10 0.01 -0.65 117.51 118.41 1p8a h ILE 132 Ca -0.15 -0.00 -0.42 0.00 1.08 0.00 0.00 64.86 65.36 1p8a h ILE 132 Cb 0.84 0.54 -0.06 0.00 -1.09 0.00 0.00 36.82 37.05 1p8a h ILE 132 CO -0.09 0.00 -2.41 -0.24 -1.08 0.00 0.00 178.15 174.33 1p8a n SER 133 N -2.34 1.77 0.17 2.19 2.88 0.14 -3.77 113.62 114.66 1p8a n SER 133 Ca -0.02 0.31 0.09 0.00 -1.33 0.00 0.00 58.87 57.92 1p8a n SER 133 Cb 0.04 -0.74 0.60 0.00 -0.75 0.00 0.00 64.21 63.36 1p8a n SER 133 CO 0.00 0.00 0.00 0.50 -1.23 0.00 0.00 175.04 174.31 1p8a h LYS 134 N -0.90 0.11 -0.59 -1.46 1.63 -0.79 -0.56 116.57 114.01 1p8a h LYS 134 Ca -0.64 -0.01 -0.11 0.00 -0.85 0.00 0.00 60.65 59.05 1p8a h LYS 134 Cb 1.56 -0.02 -0.06 0.00 -0.60 0.00 0.00 32.23 33.10 1p8a h LYS 134 CO -0.39 0.07 0.12 0.39 -3.45 0.00 0.00 179.45 176.19 1p8a n GLU 135 N -4.51 3.90 -0.02 1.90 1.02 -0.27 -4.34 120.64 118.32 1p8a n GLU 135 Ca 0.00 -3.09 0.13 0.00 -0.02 0.00 0.00 57.16 54.18 1p8a n GLU 135 Cb 0.16 -2.16 0.49 0.00 -0.02 0.00 0.00 31.44 29.91 1p8a n GLU 135 CO 0.00 0.00 0.00 -0.12 1.18 0.00 0.00 177.13 178.19 1p8a n MET 136 N -0.01 1.66 -0.04 3.49 1.56 -0.22 -4.07 117.12 119.51 1p8a n MET 136 Ca 0.33 -0.98 -0.21 0.00 -0.27 0.00 0.00 57.70 56.57 1p8a n MET 136 Cb 1.23 -1.45 -0.13 0.00 2.15 0.00 0.00 33.22 35.01 1p8a n MET 136 CO 0.00 0.00 0.00 1.63 -0.73 0.00 0.00 175.97 176.87 1p8a n LYS 137 N 0.19 0.71 0.00 2.12 5.02 -1.26 -3.76 118.16 121.18 1p8a n LYS 137 Ca 0.18 0.30 0.07 0.00 -2.02 0.00 0.00 58.31 56.84 1p8a n LYS 137 Cb 0.34 -1.68 0.41 0.00 -0.02 0.00 0.00 35.03 34.07 1p8a n LYS 137 CO 0.00 0.00 0.00 -0.35 -0.52 0.00 0.00 177.40 176.53 1p8a n PRO 138 N -3.65 0.82 0.00 1.97 -0.04 -1.26 -2.88 135.00 129.96 1p8a n PRO 138 Ca -0.35 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.11 1p8a n PRO 138 Cb 0.97 -1.26 0.00 0.00 -0.04 0.00 0.00 33.50 33.17 1p8a n PRO 138 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 1p8a n PHE 139 N -0.76 0.00 0.25 0.54 7.35 -1.26 -4.25 117.46 119.34 1p8a n PHE 139 Ca 0.10 0.00 -0.16 0.00 -0.76 0.00 0.00 57.45 56.63 1p8a n PHE 139 Cb 0.05 0.00 -0.08 0.00 0.35 0.00 0.00 39.48 39.80 1p8a n PHE 139 CO 0.00 0.00 0.00 -0.07 -0.76 0.00 0.00 176.76 175.93 1p8a h LEU 140 N 0.00 -0.63 -0.82 -2.13 4.07 -1.72 2.00 115.31 116.09 1p8a h LEU 140 Ca 0.00 0.04 0.00 0.00 0.08 0.00 0.00 57.88 58.00 1p8a h LEU 140 Cb 0.00 0.18 0.00 0.00 1.08 0.00 0.00 40.66 41.92 1p8a h LEU 140 CO 0.00 -0.41 0.00 0.41 -1.08 0.00 0.00 178.44 177.36 1p8a n THR 141 N -5.39 1.37 -0.08 0.22 -1.04 -0.65 -1.00 114.28 107.71 1p8a n THR 141 Ca -0.11 0.60 -0.14 0.00 -2.04 0.00 0.00 64.05 62.36 1p8a n THR 141 Cb 0.29 -1.59 -0.05 0.00 -1.82 0.00 0.00 70.33 67.17 1p8a n THR 141 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 1p8a n GLU 142 N -1.95 0.42 -0.27 -2.82 1.02 -0.35 -4.34 120.64 112.34 1p8a n GLU 142 Ca -0.00 0.17 0.32 0.00 -0.02 0.00 0.00 57.16 57.63 1p8a n GLU 142 Cb 0.04 -1.22 0.57 0.00 -0.02 0.00 0.00 31.44 30.81 1p8a n GLU 142 CO 0.00 0.00 0.00 1.25 1.18 0.00 0.00 177.13 179.56 1p8a h HIS 143 N -0.75 0.00 0.00 -0.32 2.76 0.32 -3.40 115.15 113.76 1p8a h HIS 143 Ca -0.25 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 57.92 1p8a h HIS 143 Cb 1.08 0.00 0.00 0.00 1.55 0.00 0.00 27.41 30.04 1p8a h HIS 143 CO -0.20 0.00 0.00 0.41 -1.30 0.00 0.00 177.93 176.84 1p8a n GLY 144 N -1.73 0.46 0.00 5.26 0.00 -1.15 -5.08 105.19 102.95 1p8a n GLY 144 Ca 0.25 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.27 1p8a n GLY 144 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1p8a n LEU 145 N 0.00 0.00 0.00 0.99 4.77 -0.17 -4.65 117.00 117.94 1p8a n LEU 145 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 1p8a n LEU 145 Cb 0.00 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 1p8a n LEU 145 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.39 176.06