#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1p8a n ALA 2 N 0.00 0.00 -2.43 0.00 0.00 -1.26 -5.14 120.51 111.68 1p8a n ALA 2 Ca 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 53.44 53.21 1p8a n ALA 2 Cb 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.35 1p8a n ALA 2 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.50 175.67 1p8a s GLU 3 N -1.00 1.49 0.00 0.00 -1.05 -1.26 -5.15 118.70 111.73 1p8a s GLU 3 Ca 0.00 -1.62 0.00 0.00 -0.15 0.00 0.00 54.97 53.20 1p8a s GLU 3 Cb 0.00 -1.54 0.00 0.00 -0.44 0.00 0.00 34.13 32.15 1p8a s GLU 3 CO 0.00 0.29 0.00 0.36 0.95 0.00 0.00 175.26 176.86 1p8a n LYS 4 N -0.26 0.42 -0.10 -4.83 0.00 -1.26 -4.96 118.16 107.17 1p8a n LYS 4 Ca -0.08 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.23 1p8a n LYS 4 Cb 0.59 0.00 0.00 0.00 -0.00 0.00 0.00 35.03 35.62 1p8a n LYS 4 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.40 179.03 1p8a n LYS 5 N -0.53 0.00 -3.69 -1.58 5.02 -1.26 -5.00 118.16 111.12 1p8a n LYS 5 Ca 0.00 0.00 -0.15 0.00 -2.02 0.00 0.00 58.31 56.14 1p8a n LYS 5 Cb 0.00 0.00 -0.15 0.00 -0.02 0.00 0.00 35.03 34.86 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 -1.20 -0.32 -0.15 7.82 0.00 -1.26 0.38 121.76 127.04 1p8a s ALA 6 Ca 0.00 0.72 -0.01 0.00 0.00 0.00 0.00 51.96 52.67 1p8a s ALA 6 Cb 0.00 -0.78 -0.01 0.00 0.00 0.00 0.00 23.12 22.32 1p8a s ALA 6 CO 0.00 -0.47 -0.11 0.08 0.00 0.00 0.00 175.76 175.26 1p8a s VAL 7 N 2.02 3.19 -1.07 0.00 1.01 -0.27 -1.44 120.40 123.84 1p8a s VAL 7 Ca -0.01 -0.60 -0.18 0.00 0.00 0.00 0.00 61.98 61.19 1p8a s VAL 7 Cb -0.12 -2.37 0.12 0.00 0.00 0.00 0.00 36.38 34.02 1p8a s VAL 7 CO -0.07 0.50 1.34 -0.22 0.00 0.00 0.00 175.10 176.66 1p8a s LEU 8 N 0.55 4.66 -0.68 3.92 2.96 0.08 -0.84 118.68 129.34 1p8a s LEU 8 Ca -0.07 -2.28 -0.27 0.00 -0.22 0.00 0.00 54.13 51.29 1p8a s LEU 8 Cb -0.15 -2.45 0.01 0.00 0.50 0.00 0.00 46.19 44.10 1p8a s LEU 8 CO 0.03 -1.05 1.49 -0.36 -1.32 0.00 0.00 176.35 175.14 1p8a s PHE 9 N 2.90 2.07 0.39 5.38 0.08 0.19 0.29 117.98 129.28 1p8a s PHE 9 Ca 0.40 0.28 0.07 0.00 0.12 0.00 0.00 56.93 57.80 1p8a s PHE 9 Cb -0.02 -4.43 -0.08 0.00 -0.57 0.00 0.00 43.02 37.92 1p8a s PHE 9 CO -0.05 -2.15 -0.01 0.54 -0.10 0.00 0.00 175.22 173.46 1p8a s VAL 10 N 6.90 1.99 0.18 -0.44 0.11 -0.32 -1.29 120.40 127.53 1p8a s VAL 10 Ca 0.47 -2.04 0.00 0.00 -2.93 0.00 0.00 61.98 57.48 1p8a s VAL 10 Cb -0.10 -2.91 0.00 0.00 -1.53 0.00 0.00 36.38 31.84 1p8a s VAL 10 CO 0.18 -0.04 0.00 0.00 -3.33 0.00 0.00 175.10 171.90 1p8a n LEU 12 N -2.90 0.00 -0.00 0.00 7.94 -1.26 -4.45 117.00 116.32 1p8a n LEU 12 Ca 0.00 0.00 0.08 0.00 -1.11 0.00 0.00 56.01 54.98 1p8a n LEU 12 Cb 0.00 0.00 -0.12 0.00 0.53 0.00 0.00 43.42 43.83 1p8a n LEU 12 CO 0.00 0.00 -0.43 0.61 -1.11 0.00 0.00 177.39 176.46 1p8a n GLY 13 N 0.00 -0.70 2.70 -3.96 0.00 -1.26 -3.40 105.19 98.57 1p8a n GLY 13 Ca 0.00 -0.43 -0.14 0.00 0.00 0.00 0.00 46.02 45.44 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 -1.80 -4.57 -0.19 1.61 2.85 -1.26 -4.67 115.26 107.23 1p8a n ASN 14 Ca -0.01 -0.28 0.03 0.00 -0.11 0.00 0.00 54.58 54.21 1p8a n ASN 14 Cb 0.37 -3.23 0.01 0.00 1.24 0.00 0.00 39.78 38.17 1p8a n ASN 14 CO 0.00 0.00 0.00 -0.38 -2.11 0.00 0.00 177.26 174.77 1p8a n ILE 15 N -4.02 0.00 -2.68 -1.44 5.41 -1.26 -4.45 119.36 110.93 1p8a n ILE 15 Ca -0.01 -0.47 -0.08 0.00 1.00 0.00 0.00 62.75 63.19 1p8a n ILE 15 Cb 0.55 1.10 0.03 0.00 -0.71 0.00 0.00 39.64 40.61 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 -0.34 0.00 -0.20 0.00 1.74 -1.26 -4.72 116.66 111.87 1p8a n ARG 17 Ca 0.13 0.00 -0.08 0.00 -0.77 0.00 0.00 57.85 57.12 1p8a n ARG 17 Cb 0.81 0.00 -0.04 0.00 -1.02 0.00 0.00 32.46 32.21 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 -1.49 0.07 0.55 0.02 -1.86 1.46 113.55 112.30 1p8a h SER 18 Ca 0.00 0.24 0.00 0.00 -0.84 0.00 0.00 61.79 61.19 1p8a h SER 18 Cb 0.00 0.67 0.00 0.00 0.14 0.00 0.00 62.40 63.21 1p8a h SER 18 CO 0.00 -0.34 0.00 -0.81 -1.14 0.00 0.00 176.83 174.54 1p8a n PRO 19 N -5.41 0.67 -0.11 3.45 -0.04 -1.26 -2.24 135.00 130.06 1p8a n PRO 19 Ca 0.01 0.01 -0.20 0.00 -0.04 0.00 0.00 63.50 63.29 1p8a n PRO 19 Cb 0.35 -1.50 -0.09 0.00 -0.04 0.00 0.00 33.50 32.22 1p8a n PRO 19 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1p8a n ALA 20 N -1.05 1.54 0.01 0.55 0.00 0.42 -3.83 120.51 118.15 1p8a n ALA 20 Ca 0.17 -0.91 -0.16 0.00 0.00 0.00 0.00 53.44 52.54 1p8a n ALA 20 Cb 0.10 0.11 -0.06 0.00 0.00 0.00 0.00 19.45 19.60 1p8a n ALA 20 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1p8a h GLU 22 N 0.43 0.41 -0.10 0.00 4.81 -1.62 -0.46 114.58 118.05 1p8a h GLU 22 Ca -0.07 -0.21 -0.06 0.00 -0.13 0.00 0.00 59.36 58.89 1p8a h GLU 22 Cb 1.47 0.01 0.00 0.00 0.63 0.00 0.00 28.75 30.86 1p8a h GLU 22 CO 0.16 0.77 -0.18 0.78 -0.73 0.00 0.00 179.01 179.82 1p8a h GLY 23 N 0.06 0.33 0.99 1.92 0.00 -1.66 -0.42 103.07 104.29 1p8a h GLY 23 Ca 0.03 -0.38 -0.01 0.00 0.00 0.00 0.00 47.33 46.97 1p8a h GLY 23 CO 0.04 0.34 0.33 1.19 0.00 0.00 0.00 176.54 178.44 1p8a h ILE 24 N -0.14 1.18 -0.39 2.60 6.09 -1.07 0.21 117.51 125.99 1p8a h ILE 24 Ca 0.01 -0.44 -0.16 0.00 -1.37 0.00 0.00 64.86 62.90 1p8a h ILE 24 Cb 0.76 0.43 -0.01 0.00 0.47 0.00 0.00 36.82 38.47 1p8a h ILE 24 CO 0.04 0.19 -0.38 0.00 -3.07 0.00 0.00 178.15 174.94 1p8a h ARG 26 N 0.78 0.30 0.03 0.00 2.47 -0.81 0.34 114.38 117.48 1p8a h ARG 26 Ca 0.06 -0.12 -0.15 0.00 -1.26 0.00 0.00 59.98 58.52 1p8a h ARG 26 Cb 0.97 -0.02 -0.01 0.00 -1.65 0.00 0.00 29.97 29.26 1p8a h ARG 26 CO 0.09 0.58 -0.81 0.22 0.56 0.00 0.00 179.97 180.62 1p8a h ASP 27 N 0.26 0.08 1.37 7.04 3.58 -0.84 0.63 116.42 128.54 1p8a h ASP 27 Ca 0.04 -0.77 -0.02 0.00 0.42 0.00 0.00 57.03 56.69 1p8a h ASP 27 Cb 0.68 -0.03 -0.00 0.00 1.72 0.00 0.00 39.33 41.70 1p8a h ASP 27 CO 0.05 1.33 -0.12 -0.03 -2.88 0.00 0.00 179.24 177.59 1p8a h MET 28 N -0.85 0.00 0.00 0.28 4.05 -0.70 -3.33 114.93 114.38 1p8a h MET 28 Ca -0.21 0.00 -0.00 0.00 -0.28 0.00 0.00 59.70 59.21 1p8a h MET 28 Cb 1.29 0.00 -0.00 0.00 -0.80 0.00 0.00 31.60 32.09 1p8a h MET 28 CO -0.07 0.12 -1.00 0.28 0.23 0.00 0.00 176.91 176.46 1p8a n VAL 29 N -3.18 0.00 0.00 -5.77 0.31 0.11 -5.04 118.33 104.76 1p8a n VAL 29 Ca 0.02 -0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.35 1p8a n VAL 29 Cb 0.46 -0.15 0.00 0.00 -0.91 0.00 0.00 33.84 33.24 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 2.72 2.68 2.90 2.92 0.00 0.22 -4.82 105.19 111.81 1p8a n GLY 30 Ca -0.00 -0.69 0.04 0.00 0.00 0.00 0.00 46.02 45.37 1p8a n GLY 30 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1p8a s ASP 31 N 0.00 -0.14 0.00 1.61 -1.08 -1.25 -4.50 116.67 111.31 1p8a s ASP 31 Ca 0.00 -0.03 0.00 0.00 -0.52 0.00 0.00 52.55 52.00 1p8a s ASP 31 Cb 0.00 0.59 0.00 0.00 -1.46 0.00 0.00 42.92 42.05 1p8a s ASP 31 CO 0.00 -0.02 0.00 0.29 0.52 0.00 0.00 175.17 175.96 1p8a n LYS 32 N 4.24 0.16 0.00 4.34 4.76 -1.26 -5.05 118.16 125.34 1p8a n LYS 32 Ca 0.07 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.51 1p8a n LYS 32 Cb 0.62 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.81 1p8a n LYS 32 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 1p8a n LEU 33 N 0.00 0.00 -1.95 -0.35 4.32 -1.26 -4.95 117.00 112.82 1p8a n LEU 33 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 55.99 1p8a n LEU 33 Cb 0.00 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 41.80 1p8a n LEU 33 CO 0.00 0.00 0.00 2.30 -1.22 0.00 0.00 177.39 178.47 1p8a n ILE 34 N 0.00 0.00 -3.46 -0.08 -5.35 0.16 -4.80 119.36 105.83 1p8a n ILE 34 Ca 0.00 0.00 -0.43 0.00 -0.27 0.00 0.00 62.75 62.05 1p8a n ILE 34 Cb 0.00 0.00 -0.05 0.00 -1.74 0.00 0.00 39.64 37.85 1p8a n ILE 34 CO 0.00 0.00 0.00 -0.63 -1.76 0.00 0.00 176.55 174.16 1p8a s ILE 35 N -1.47 4.95 -0.38 7.28 1.01 -1.26 -1.11 121.20 130.21 1p8a s ILE 35 Ca 0.00 -2.59 0.03 0.00 0.00 0.00 0.00 60.65 58.09 1p8a s ILE 35 Cb 0.00 -4.11 0.11 0.00 0.01 0.00 0.00 42.46 38.47 1p8a s ILE 35 CO 0.00 -0.97 0.11 -1.81 0.00 0.00 0.00 174.94 172.27 1p8a s ASP 36 N 1.73 4.54 0.12 3.58 1.01 -0.02 -4.92 116.67 122.71 1p8a s ASP 36 Ca 0.17 -2.30 -0.30 0.00 0.71 0.00 0.00 52.55 50.83 1p8a s ASP 36 Cb -0.14 -1.52 -0.06 0.00 1.01 0.00 0.00 42.92 42.21 1p8a s ASP 36 CO -0.07 -0.35 0.97 -0.55 0.21 0.00 0.00 175.17 175.39 1p8a s SER 37 N 0.71 7.48 0.21 0.27 0.15 -1.26 0.55 113.70 121.81 1p8a s SER 37 Ca 0.12 1.82 0.00 0.00 0.70 0.00 0.00 55.95 58.59 1p8a s SER 37 Cb -0.20 -2.59 -0.05 0.00 -1.71 0.00 0.00 66.02 61.47 1p8a s SER 37 CO -0.08 -0.08 0.08 0.00 1.20 0.00 0.00 173.24 174.37 1p8a s ALA 38 N -0.02 1.36 0.00 5.45 0.00 -0.41 -4.72 121.76 123.42 1p8a s ALA 38 Ca 0.47 -1.71 -0.01 0.00 0.00 0.00 0.00 51.96 50.71 1p8a s ALA 38 Cb -0.24 1.04 -0.00 0.00 0.00 0.00 0.00 23.12 23.92 1p8a s ALA 38 CO 0.30 -0.48 0.01 0.00 0.00 0.00 0.00 175.76 175.59 1p8a s ALA 39 N -3.91 -0.00 -0.63 0.00 0.00 -1.24 -3.30 121.76 112.69 1p8a s ALA 39 Ca 0.34 -0.13 -0.00 0.00 0.00 0.00 0.00 51.96 52.16 1p8a s ALA 39 Cb 0.07 0.03 0.44 0.00 0.00 0.00 0.00 23.12 23.66 1p8a s ALA 39 CO 0.10 -0.05 1.88 0.25 0.00 0.00 0.00 175.76 177.94 1p8a n THR 40 N 2.65 3.42 0.00 0.00 -2.24 -1.23 -2.51 114.28 114.37 1p8a n THR 40 Ca -0.15 -3.37 0.00 0.00 -2.27 0.00 0.00 64.05 58.26 1p8a n THR 40 Cb 0.59 -1.17 0.00 0.00 -2.10 0.00 0.00 70.33 67.64 1p8a n THR 40 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 1p8a n SER 41 N -0.83 0.00 -2.99 3.42 3.41 -1.22 -4.95 113.62 110.47 1p8a n SER 41 Ca 0.58 0.00 -0.18 0.00 -0.26 0.00 0.00 58.87 59.01 1p8a n SER 41 Cb 0.65 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 64.57 1p8a n SER 41 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1p8a n GLY 42 N 0.00 2.88 0.05 5.00 0.00 -1.26 -4.37 105.19 107.49 1p8a n GLY 42 Ca 0.00 -0.78 -0.03 0.00 0.00 0.00 0.00 46.02 45.21 1p8a n GLY 42 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1p8a h PHE 43 N 5.98 0.00 -3.62 1.61 3.57 -1.93 -3.45 116.94 119.10 1p8a h PHE 43 Ca 0.40 0.00 -0.68 0.00 3.53 0.00 0.00 57.97 61.22 1p8a h PHE 43 Cb 0.28 0.00 -0.36 0.00 2.79 0.00 0.00 35.95 38.66 1p8a h PHE 43 CO 1.86 0.00 -0.64 -1.01 -2.23 0.00 0.00 178.31 176.29 1p8a s HIS 44 N -1.90 3.57 -0.03 0.41 3.76 -1.26 -5.07 115.29 114.76 1p8a s HIS 44 Ca -0.10 -2.49 -0.03 0.00 -0.15 0.00 0.00 55.06 52.30 1p8a s HIS 44 Cb 0.01 -2.86 0.01 0.00 1.11 0.00 0.00 32.58 30.85 1p8a s HIS 44 CO 0.15 -0.93 0.08 0.08 -0.85 0.00 0.00 174.74 173.26 1p8a s VAL 45 N 1.09 -0.00 0.00 -0.90 1.01 -1.26 -4.72 120.40 115.62 1p8a s VAL 45 Ca 0.06 0.01 0.00 0.00 0.00 0.00 0.00 61.98 62.05 1p8a s VAL 45 Cb -0.21 -0.12 0.00 0.00 0.00 0.00 0.00 36.38 36.06 1p8a s VAL 45 CO -0.05 0.00 0.00 0.61 0.00 0.00 0.00 175.10 175.67 1p8a n GLY 46 N 3.09 2.30 0.00 4.51 0.00 -1.26 -4.94 105.19 108.89 1p8a n GLY 46 Ca -0.13 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.89 1p8a n GLY 46 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1p8a n GLN 47 N -2.00 2.50 -1.45 1.61 10.64 -1.26 -5.06 117.38 122.36 1p8a n GLN 47 Ca 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.17 1p8a n GLN 47 Cb 0.00 0.00 0.00 0.00 -0.86 0.00 0.00 30.24 29.38 1p8a n GLN 47 CO 0.00 0.00 0.00 0.45 -1.83 0.00 0.00 177.06 175.68 1p8a n SER 48 N 0.00 -7.25 -4.56 2.61 2.88 -1.26 -4.66 113.62 101.38 1p8a n SER 48 Ca 0.00 0.98 -0.27 0.00 -1.33 0.00 0.00 58.87 58.25 1p8a n SER 48 Cb 0.00 -3.57 -0.05 0.00 -0.75 0.00 0.00 64.21 59.84 1p8a n SER 48 CO 0.00 0.00 0.00 -2.16 -1.23 0.00 0.00 175.04 171.65 1p8a s PRO 49 N -2.16 2.52 -0.31 -1.46 0.04 -1.26 -4.76 135.00 127.60 1p8a s PRO 49 Ca 0.00 -0.23 0.10 0.00 0.04 0.00 0.00 61.00 60.91 1p8a s PRO 49 Cb 0.00 -5.03 0.74 0.00 0.04 0.00 0.00 34.50 30.25 1p8a s PRO 49 CO 0.00 -3.40 1.78 -3.47 0.04 0.00 0.00 177.00 171.95 1p8a n ASP 50 N 14.13 4.85 0.09 6.66 2.03 -1.26 -4.32 116.55 138.73 1p8a n ASP 50 Ca 0.40 -3.16 -0.05 0.00 0.52 0.00 0.00 54.79 52.49 1p8a n ASP 50 Cb 0.47 -0.74 0.01 0.00 -0.72 0.00 0.00 41.12 40.14 1p8a n ASP 50 CO 0.00 0.00 0.00 0.71 -1.92 0.00 0.00 177.20 175.99 1p8a h THR 51 N 2.71 1.58 -0.01 5.18 1.35 -1.98 -1.23 112.91 120.51 1p8a h THR 51 Ca 0.25 -2.80 -0.02 0.00 -0.55 0.00 0.00 66.41 63.28 1p8a h THR 51 Cb 2.29 2.52 0.00 0.00 -1.73 0.00 0.00 68.15 71.24 1p8a h THR 51 CO 0.72 0.80 -0.09 0.03 -0.25 0.00 0.00 175.52 176.73 1p8a h ARG 52 N 0.02 0.08 0.03 4.72 2.47 -1.99 0.44 114.38 120.15 1p8a h ARG 52 Ca -0.01 -0.07 -0.00 0.00 -1.26 0.00 0.00 59.98 58.63 1p8a h ARG 52 Cb 1.47 0.02 0.00 0.00 -1.65 0.00 0.00 29.97 29.81 1p8a h ARG 52 CO 0.11 0.77 -0.02 1.03 0.56 0.00 0.00 179.97 182.42 1p8a h SER 53 N -0.58 -0.04 -0.74 7.04 0.87 -1.84 -1.28 113.55 116.98 1p8a h SER 53 Ca -0.01 -0.13 -0.01 0.00 -1.23 0.00 0.00 61.79 60.41 1p8a h SER 53 Cb 0.79 0.01 -0.04 0.00 -0.44 0.00 0.00 62.40 62.72 1p8a h SER 53 CO 0.02 0.11 0.43 -0.61 -0.53 0.00 0.00 176.83 176.25 1p8a h GLN 54 N -0.19 1.01 0.19 2.24 4.15 -1.31 -0.06 115.11 121.15 1p8a h GLN 54 Ca -0.00 -0.10 -0.01 0.00 0.77 0.00 0.00 58.65 59.31 1p8a h GLN 54 Cb 0.17 -0.21 -0.01 0.00 0.21 0.00 0.00 27.48 27.64 1p8a h GLN 54 CO 0.01 0.73 -0.20 -0.22 -1.93 0.00 0.00 178.83 177.21 1p8a h LYS 55 N 1.01 -0.38 -0.99 1.69 1.63 -0.62 -0.62 116.57 118.29 1p8a h LYS 55 Ca 0.26 0.03 0.25 0.00 -0.85 0.00 0.00 60.65 60.34 1p8a h LYS 55 Cb -0.01 0.09 -0.08 0.00 -0.60 0.00 0.00 32.23 31.63 1p8a h LYS 55 CO -0.05 -0.26 0.65 0.28 -3.45 0.00 0.00 179.45 176.63 1p8a h VAL 56 N -0.40 0.58 -0.17 2.00 2.07 -1.16 0.17 116.25 119.33 1p8a h VAL 56 Ca -0.02 -0.12 0.04 0.00 0.82 0.00 0.00 66.70 67.42 1p8a h VAL 56 Cb 0.35 0.19 -0.05 0.00 -1.52 0.00 0.00 31.29 30.27 1p8a h VAL 56 CO -0.03 0.07 -0.11 0.00 0.02 0.00 0.00 177.57 177.51 1p8a h LYS 58 N -0.11 0.00 0.00 0.00 1.57 0.68 0.73 116.57 119.44 1p8a h LYS 58 Ca 0.10 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.88 1p8a h LYS 58 Cb 0.26 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.57 1p8a h LYS 58 CO -0.24 0.41 -0.02 0.45 -0.57 0.00 0.00 179.45 179.48 1p8a n SER 59 N -3.85 0.20 -0.03 0.86 2.88 -0.23 -3.59 113.62 109.87 1p8a n SER 59 Ca -0.01 0.50 -0.01 0.00 -1.33 0.00 0.00 58.87 58.01 1p8a n SER 59 Cb 0.46 -0.55 -0.06 0.00 -0.75 0.00 0.00 64.21 63.32 1p8a n SER 59 CO 0.00 0.00 0.00 0.59 -1.23 0.00 0.00 175.04 174.40 1p8a n ASN 60 N -1.68 3.11 0.00 -3.46 3.02 0.19 -5.04 115.26 111.40 1p8a n ASN 60 Ca 0.07 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.62 1p8a n ASN 60 Cb 0.36 0.93 0.00 0.00 -0.61 0.00 0.00 39.78 40.46 1p8a n ASN 60 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1p8a n GLY 61 N 2.35 0.48 3.24 7.41 0.00 0.23 -5.07 105.19 113.84 1p8a n GLY 61 Ca -0.09 -0.24 0.01 0.00 0.00 0.00 0.00 46.02 45.71 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 -0.95 -0.49 1.61 1.01 0.04 -4.11 120.40 117.51 1p8a s VAL 62 Ca 0.00 -0.00 -0.17 0.00 0.00 0.00 0.00 61.98 61.81 1p8a s VAL 62 Cb 0.00 -0.97 0.07 0.00 0.00 0.00 0.00 36.38 35.48 1p8a s VAL 62 CO 0.00 -0.01 0.49 1.51 0.00 0.00 0.00 175.10 177.09 1p8a s ASP 63 N 2.83 6.18 0.05 3.32 -4.77 -1.26 -3.93 116.67 119.09 1p8a s ASP 63 Ca 0.14 -1.24 0.01 0.00 -3.30 0.00 0.00 52.55 48.15 1p8a s ASP 63 Cb -0.14 -2.22 -0.00 0.00 -1.09 0.00 0.00 42.92 39.46 1p8a s ASP 63 CO -0.20 -0.76 0.06 2.30 0.70 0.00 0.00 175.17 177.27 1p8a n ILE 64 N 5.35 0.00 -3.47 2.11 -5.35 -1.26 -4.76 119.36 111.97 1p8a n ILE 64 Ca -0.11 -0.34 0.02 0.00 -0.27 0.00 0.00 62.75 62.05 1p8a n ILE 64 Cb 0.44 0.18 -0.05 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 -1.36 -0.14 -0.23 7.28 0.15 -1.26 -5.08 113.70 113.06 1p8a s SER 65 Ca 0.06 0.20 -0.07 0.00 0.70 0.00 0.00 55.95 56.84 1p8a s SER 65 Cb 0.00 1.10 0.03 0.00 -1.71 0.00 0.00 66.02 65.44 1p8a s SER 65 CO 0.04 -0.03 0.14 0.29 1.20 0.00 0.00 173.24 174.88 1p8a n LYS 66 N 3.76 -4.01 -2.72 5.44 4.01 -1.26 -4.83 118.16 118.55 1p8a n LYS 66 Ca -0.13 3.10 -0.42 0.00 -0.51 0.00 0.00 58.31 60.35 1p8a n LYS 66 Cb 0.56 -5.04 -0.03 0.00 -0.51 0.00 0.00 35.03 30.00 1p8a n LYS 66 CO 0.00 0.00 0.00 -0.65 -1.11 0.00 0.00 177.40 175.64 1p8a s GLN 67 N -1.07 3.32 -1.25 1.97 -1.52 -1.26 -4.93 119.66 114.92 1p8a s GLN 67 Ca -0.16 -0.90 -0.11 0.00 -1.95 0.00 0.00 55.36 52.24 1p8a s GLN 67 Cb 0.01 -4.58 0.17 0.00 -0.22 0.00 0.00 33.01 28.39 1p8a s GLN 67 CO 0.76 -1.99 1.68 0.54 -0.25 0.00 0.00 175.29 176.04 1p8a n ARG 68 N 8.21 3.52 -1.60 2.91 1.74 -1.26 -4.67 116.66 125.53 1p8a n ARG 68 Ca 0.11 -3.68 -0.60 0.00 -0.77 0.00 0.00 57.85 52.91 1p8a n ARG 68 Cb 0.48 -2.97 -0.08 0.00 -1.02 0.00 0.00 32.46 28.87 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 4.60 -2.38 -2.77 7.54 0.00 -1.26 -4.93 120.51 121.31 1p8a n ALA 69 Ca 0.38 0.54 -0.29 0.00 0.00 0.00 0.00 53.44 54.08 1p8a n ALA 69 Cb 0.39 -1.89 -0.06 0.00 0.00 0.00 0.00 19.45 17.89 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 1.13 2.83 0.13 0.00 3.00 -1.26 -4.69 118.95 120.09 1p8a s ARG 70 Ca 0.94 -0.77 -0.14 0.00 -1.00 0.00 0.00 55.73 54.76 1p8a s ARG 70 Cb -1.26 -2.67 -0.07 0.00 0.00 0.00 0.00 34.95 30.94 1p8a s ARG 70 CO 0.63 0.54 0.53 -1.14 0.00 0.00 0.00 175.30 175.86 1p8a s GLN 71 N -2.59 3.98 0.77 5.12 0.74 -1.26 -3.63 119.66 122.80 1p8a s GLN 71 Ca 0.29 0.49 -0.09 0.00 0.05 0.00 0.00 55.36 56.10 1p8a s GLN 71 Cb -0.11 -2.99 0.08 0.00 1.10 0.00 0.00 33.01 31.09 1p8a s GLN 71 CO 0.22 0.51 1.11 -1.50 -0.55 0.00 0.00 175.29 175.08 1p8a s ILE 72 N -1.40 2.13 0.11 -2.34 2.07 -1.04 -4.79 121.20 115.93 1p8a s ILE 72 Ca 0.36 -0.13 -0.09 0.00 -1.41 0.00 0.00 60.65 59.37 1p8a s ILE 72 Cb -0.15 -2.99 -0.00 0.00 0.13 0.00 0.00 42.46 39.44 1p8a s ILE 72 CO 0.19 0.00 0.22 0.42 -1.91 0.00 0.00 174.94 173.86 1p8a s THR 73 N -3.43 0.12 -0.18 4.00 -4.23 -1.26 -4.96 115.64 105.71 1p8a s THR 73 Ca 0.62 -1.18 0.21 0.00 -1.18 0.00 0.00 61.69 60.15 1p8a s THR 73 Cb -0.10 -1.43 0.21 0.00 1.34 0.00 0.00 72.50 72.52 1p8a s THR 73 CO 0.47 -0.56 1.64 0.29 -0.54 0.00 0.00 174.62 175.92 1p8a n LYS 74 N -0.10 0.14 0.04 3.99 5.02 -1.26 -0.49 118.16 125.49 1p8a n LYS 74 Ca -0.14 0.63 0.14 0.00 -2.02 0.00 0.00 58.31 56.92 1p8a n LYS 74 Cb 0.63 -1.97 0.51 0.00 -0.02 0.00 0.00 35.03 34.18 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 -1.76 2.36 0.25 7.82 0.00 -1.26 -3.70 120.51 124.22 1p8a n ALA 75 Ca -0.01 -0.08 0.12 0.00 0.00 0.00 0.00 53.44 53.47 1p8a n ALA 75 Cb 0.05 -1.45 0.52 0.00 0.00 0.00 0.00 19.45 18.57 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 0.00 0.00 0.00 5.19 -1.19 -2.78 116.42 117.63 1p8a h ASP 76 Ca 0.00 0.00 -0.27 0.00 -0.62 0.00 0.00 57.03 56.14 1p8a h ASP 76 Cb 0.60 0.00 -0.04 0.00 0.18 0.00 0.00 39.33 40.07 1p8a h ASP 76 CO 0.00 0.00 0.74 0.49 -3.12 0.00 0.00 179.24 177.35 1p8a n PHE 77 N -2.90 0.55 0.00 4.55 3.72 -1.24 -3.25 117.46 118.89 1p8a n PHE 77 Ca 0.02 -1.66 0.00 0.00 -0.05 0.00 0.00 57.45 55.76 1p8a n PHE 77 Cb 0.71 -1.63 0.00 0.00 -0.94 0.00 0.00 39.48 37.62 1p8a n PHE 77 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 176.76 175.58 1p8a n SER 78 N 2.91 0.00 0.00 4.37 3.41 -1.05 -4.70 113.62 118.56 1p8a n SER 78 Ca 0.45 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 59.06 1p8a n SER 78 Cb 0.62 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.57 1p8a n SER 78 CO 0.00 0.00 0.00 2.29 -0.16 0.00 0.00 175.04 177.17 1p8a n LYS 79 N 0.00 0.37 -4.38 4.33 0.00 -1.20 -5.10 118.16 112.18 1p8a n LYS 79 Ca 0.00 0.00 -0.23 0.00 -0.00 0.00 0.00 58.31 58.08 1p8a n LYS 79 Cb 0.00 -0.61 -0.11 0.00 -0.00 0.00 0.00 35.03 34.31 1p8a n LYS 79 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.40 177.34 1p8a s PHE 80 N -1.21 1.99 0.18 5.58 0.08 -1.26 -4.89 117.98 118.44 1p8a s PHE 80 Ca 0.00 -0.44 -0.04 0.00 0.12 0.00 0.00 56.93 56.57 1p8a s PHE 80 Cb 0.00 -0.96 0.07 0.00 -0.57 0.00 0.00 43.02 41.57 1p8a s PHE 80 CO 0.00 0.44 1.47 -0.44 -0.10 0.00 0.00 175.22 176.59 1p8a h ASP 81 N 2.98 0.65 -5.15 1.36 5.19 -1.56 -3.42 116.42 116.48 1p8a h ASP 81 Ca -0.42 -0.36 -0.13 0.00 -0.62 0.00 0.00 57.03 55.49 1p8a h ASP 81 Cb 1.22 -0.19 -0.17 0.00 0.18 0.00 0.00 39.33 40.37 1p8a h ASP 81 CO 0.53 1.09 -0.65 -0.69 -3.12 0.00 0.00 179.24 176.40 1p8a s VAL 82 N -3.94 0.18 -0.08 -1.35 1.01 -0.52 -3.43 120.40 112.26 1p8a s VAL 82 Ca -0.08 -1.45 0.04 0.00 0.00 0.00 0.00 61.98 60.50 1p8a s VAL 82 Cb 0.11 -1.09 -0.01 0.00 0.00 0.00 0.00 36.38 35.38 1p8a s VAL 82 CO 0.85 -0.80 -0.22 -0.63 0.00 0.00 0.00 175.10 174.30 1p8a s ILE 83 N -3.09 2.32 -0.13 2.22 1.01 0.13 -0.74 121.20 122.93 1p8a s ILE 83 Ca -0.01 -0.96 -0.03 0.00 0.00 0.00 0.00 60.65 59.65 1p8a s ILE 83 Cb 0.02 -1.88 -0.03 0.00 0.01 0.00 0.00 42.46 40.57 1p8a s ILE 83 CO -0.07 0.56 -0.00 0.00 0.00 0.00 0.00 174.94 175.43 1p8a s ALA 84 N -0.01 3.19 -0.15 9.38 0.00 0.15 -0.97 121.76 133.35 1p8a s ALA 84 Ca -0.07 -0.80 0.00 0.00 0.00 0.00 0.00 51.96 51.09 1p8a s ALA 84 Cb -0.15 -1.58 -0.00 0.00 0.00 0.00 0.00 23.12 21.39 1p8a s ALA 84 CO 0.05 0.38 -0.16 0.00 0.00 0.00 0.00 175.76 176.04 1p8a s ALA 85 N -0.22 2.48 0.00 0.00 0.00 0.11 -1.17 121.76 122.97 1p8a s ALA 85 Ca 0.05 -1.04 0.00 0.00 0.00 0.00 0.00 51.96 50.97 1p8a s ALA 85 Cb -0.12 -1.20 0.00 0.00 0.00 0.00 0.00 23.12 21.80 1p8a s ALA 85 CO 0.02 -0.01 0.03 1.28 0.00 0.00 0.00 175.76 177.08 1p8a n LEU 86 N 4.03 2.41 -4.18 0.00 4.32 -0.15 -0.29 117.00 123.15 1p8a n LEU 86 Ca -0.19 0.10 -0.27 0.00 -0.02 0.00 0.00 56.01 55.63 1p8a n LEU 86 Cb 0.52 -0.08 0.25 0.00 -1.62 0.00 0.00 43.42 42.49 1p8a n LEU 86 CO 0.29 -0.08 0.27 0.47 -1.22 0.00 0.00 177.39 177.12 1p8a n ASP 87 N -0.73 -3.69 -0.08 -1.43 9.92 -1.26 -3.94 116.55 115.34 1p8a n ASP 87 Ca 0.00 -0.69 -0.12 0.00 -0.53 0.00 0.00 54.79 53.45 1p8a n ASP 87 Cb 0.00 -0.95 -0.06 0.00 -0.64 0.00 0.00 41.12 39.46 1p8a n ASP 87 CO 0.00 0.00 0.00 1.56 0.13 0.00 0.00 177.20 178.89 1p8a h GLN 88 N -3.32 0.00 -0.75 -1.24 1.08 -1.91 -3.35 115.11 105.62 1p8a h GLN 88 Ca -0.37 0.00 0.16 0.00 -1.45 0.00 0.00 58.65 56.99 1p8a h GLN 88 Cb 1.17 0.00 -0.14 0.00 -0.05 0.00 0.00 27.48 28.46 1p8a h GLN 88 CO 0.23 0.49 -0.10 0.77 -0.95 0.00 0.00 178.83 179.27 1p8a h SER 89 N -1.00 -0.54 -0.70 1.46 0.02 -1.96 0.24 113.55 111.07 1p8a h SER 89 Ca -0.16 0.21 0.14 0.00 -0.84 0.00 0.00 61.79 61.15 1p8a h SER 89 Cb 0.86 0.41 -0.13 0.00 0.14 0.00 0.00 62.40 63.68 1p8a h SER 89 CO -0.09 -0.22 -0.15 -0.29 -1.14 0.00 0.00 176.83 174.94 1p8a h ILE 90 N 0.04 0.32 -0.03 3.27 2.10 -1.85 0.44 117.51 121.80 1p8a h ILE 90 Ca 0.38 -0.00 -0.00 0.00 1.08 0.00 0.00 64.86 66.32 1p8a h ILE 90 Cb 0.64 0.30 -0.00 0.00 -1.09 0.00 0.00 36.82 36.67 1p8a h ILE 90 CO -0.72 0.00 0.01 0.25 -1.08 0.00 0.00 178.15 176.61 1p8a h LEU 91 N 0.01 0.04 -2.08 2.19 5.85 -0.71 -0.64 115.31 119.97 1p8a h LEU 91 Ca 0.34 -0.18 0.00 0.00 0.84 0.00 0.00 57.88 58.88 1p8a h LEU 91 Cb 0.53 -0.01 0.00 0.00 0.37 0.00 0.00 40.66 41.55 1p8a h LEU 91 CO -0.70 0.21 0.00 -1.28 -0.34 0.00 0.00 178.44 176.33 1p8a h SER 92 N -0.13 0.00 0.00 1.25 0.87 0.10 -2.28 113.55 113.36 1p8a h SER 92 Ca 0.01 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.57 1p8a h SER 92 Cb 0.18 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.14 1p8a h SER 92 CO -0.00 0.00 -0.07 -0.78 -0.53 0.00 0.00 176.83 175.45 1p8a h ASP 93 N 0.00 0.00 -0.64 6.23 1.82 0.72 -3.19 116.42 121.36 1p8a h ASP 93 Ca 0.00 0.00 0.11 0.00 -0.39 0.00 0.00 57.03 56.75 1p8a h ASP 93 Cb 0.04 0.00 -0.12 0.00 0.68 0.00 0.00 39.33 39.93 1p8a h ASP 93 CO 0.00 0.14 -0.38 0.40 -1.61 0.00 0.00 179.24 177.79 1p8a h ILE 94 N -0.20 0.12 0.00 2.25 2.04 -1.13 2.21 117.51 122.80 1p8a h ILE 94 Ca 0.00 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.86 1p8a h ILE 94 Cb 0.07 0.12 0.00 0.00 -0.74 0.00 0.00 36.82 36.27 1p8a h ILE 94 CO 0.00 0.00 0.00 -3.20 0.00 0.00 0.00 178.15 174.95 1p8a n ASN 95 N -5.43 0.57 0.09 1.72 2.85 -0.86 -0.00 115.26 114.20 1p8a n ASN 95 Ca 0.04 0.77 -0.16 0.00 -0.11 0.00 0.00 54.58 55.12 1p8a n ASN 95 Cb 0.36 -0.84 -0.14 0.00 1.24 0.00 0.00 39.78 40.39 1p8a n ASN 95 CO 0.00 0.00 0.00 -1.28 -2.11 0.00 0.00 177.26 173.87 1p8a h SER 96 N 0.00 0.39 0.21 1.20 0.87 0.37 -3.35 113.55 113.24 1p8a h SER 96 Ca 0.00 -0.46 -0.27 0.00 -1.23 0.00 0.00 61.79 59.83 1p8a h SER 96 Cb 0.00 -0.13 -0.05 0.00 -0.44 0.00 0.00 62.40 61.79 1p8a h SER 96 CO 0.00 1.37 -2.04 1.15 -0.53 0.00 0.00 176.83 176.78 1p8a n MET 97 N -3.49 0.66 -1.42 2.24 0.00 -0.38 -4.97 117.12 109.77 1p8a n MET 97 Ca -0.11 0.06 -0.48 0.00 0.00 0.00 0.00 57.70 57.16 1p8a n MET 97 Cb 1.03 -1.62 -0.03 0.00 0.00 0.00 0.00 33.22 32.60 1p8a n MET 97 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 175.97 177.60 1p8a n LYS 98 N -2.76 0.10 0.00 3.17 5.02 1.00 -4.94 118.16 119.75 1p8a n LYS 98 Ca -0.22 0.03 0.00 0.00 -2.02 0.00 0.00 58.31 56.10 1p8a n LYS 98 Cb 1.00 -1.09 0.00 0.00 -0.02 0.00 0.00 35.03 34.92 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 1.02 0.31 -0.50 1.97 -0.04 -1.26 -4.97 135.00 131.53 1p8a n PRO 99 Ca 0.18 0.00 0.07 0.00 -0.04 0.00 0.00 63.50 63.71 1p8a n PRO 99 Cb 0.24 0.00 0.26 0.00 -0.04 0.00 0.00 33.50 33.96 1p8a n PRO 99 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1p8a n SER 100 N -1.19 3.79 -3.43 3.54 7.64 -1.26 -4.93 113.62 117.77 1p8a n SER 100 Ca 0.00 -3.10 0.01 0.00 1.01 0.00 0.00 58.87 56.79 1p8a n SER 100 Cb 0.00 -0.56 -0.04 0.00 -1.01 0.00 0.00 64.21 62.60 1p8a n SER 100 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 1p8a s ASN 101 N -1.96 -0.56 0.04 6.43 4.22 -1.26 -5.18 114.94 116.67 1p8a s ASN 101 Ca 0.43 0.79 -0.28 0.00 -2.14 0.00 0.00 52.86 51.65 1p8a s ASN 101 Cb 0.35 1.59 0.10 0.00 1.28 0.00 0.00 41.25 44.58 1p8a s ASN 101 CO 0.08 -0.11 1.18 0.00 -2.04 0.00 0.00 177.10 176.21 1p8a n ARG 103 N -0.50 2.74 -3.64 0.00 0.00 -1.26 -4.89 116.66 109.10 1p8a n ARG 103 Ca -0.07 -3.37 -0.07 0.00 -0.00 0.00 0.00 57.85 54.34 1p8a n ARG 103 Cb 0.62 -2.29 -0.07 0.00 -0.00 0.00 0.00 32.46 30.72 1p8a n ARG 103 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1p8a s ALA 104 N -3.86 -1.95 0.47 2.89 0.00 -1.26 -4.61 121.76 113.45 1p8a s ALA 104 Ca 0.62 2.31 0.07 0.00 0.00 0.00 0.00 51.96 54.97 1p8a s ALA 104 Cb 0.49 -1.46 0.00 0.00 0.00 0.00 0.00 23.12 22.16 1p8a s ALA 104 CO -0.07 -0.36 0.40 0.15 0.00 0.00 0.00 175.76 175.87 1p8a s LYS 105 N 1.37 2.39 0.02 0.00 1.02 -1.22 -4.92 119.74 118.39 1p8a s LYS 105 Ca -0.08 -1.74 0.08 0.00 0.02 0.00 0.00 55.97 54.25 1p8a s LYS 105 Cb -0.05 -2.26 -0.03 0.00 -0.52 0.00 0.00 37.83 34.98 1p8a s LYS 105 CO -0.16 -0.38 -0.24 0.08 -0.92 0.00 0.00 175.35 173.73 1p8a s VAL 106 N -2.60 2.29 0.13 3.17 1.01 -1.26 -0.70 120.40 122.44 1p8a s VAL 106 Ca 0.43 -1.22 0.02 0.00 0.00 0.00 0.00 61.98 61.22 1p8a s VAL 106 Cb -0.02 -1.87 -0.04 0.00 0.00 0.00 0.00 36.38 34.44 1p8a s VAL 106 CO 0.26 0.44 -0.05 -0.69 0.00 0.00 0.00 175.10 175.06 1p8a s VAL 107 N -0.76 0.78 -0.43 2.92 1.01 -0.14 -4.94 120.40 118.84 1p8a s VAL 107 Ca 0.12 -1.98 -0.12 0.00 0.00 0.00 0.00 61.98 60.00 1p8a s VAL 107 Cb -0.10 -1.87 0.07 0.00 0.00 0.00 0.00 36.38 34.48 1p8a s VAL 107 CO 0.01 -0.71 0.31 -0.22 0.00 0.00 0.00 175.10 174.49 1p8a s LEU 108 N -3.11 5.29 0.10 3.92 0.20 -1.26 -0.71 118.68 123.11 1p8a s LEU 108 Ca 0.17 -1.39 -0.31 0.00 0.69 0.00 0.00 54.13 53.29 1p8a s LEU 108 Cb 0.05 -2.07 -0.12 0.00 -0.43 0.00 0.00 46.19 43.63 1p8a s LEU 108 CO -0.01 -0.56 1.60 0.15 -0.29 0.00 0.00 176.35 177.24 1p8a h PHE 109 N 8.54 -1.07 -2.79 5.38 3.57 -0.90 -3.47 116.94 126.20 1p8a h PHE 109 Ca -0.25 0.02 0.05 0.00 3.53 0.00 0.00 57.97 61.32 1p8a h PHE 109 Cb 1.10 0.44 -0.10 0.00 2.79 0.00 0.00 35.95 40.17 1p8a h PHE 109 CO 0.62 -0.52 0.30 0.54 -2.23 0.00 0.00 178.31 177.02 1p8a s ASN 110 N -4.63 -0.40 1.05 0.41 2.20 -1.25 -4.86 114.94 107.46 1p8a s ASN 110 Ca -0.17 -0.22 -0.16 0.00 -0.94 0.00 0.00 52.86 51.37 1p8a s ASN 110 Cb 0.06 0.58 0.22 0.00 -2.00 0.00 0.00 41.25 40.12 1p8a s ASN 110 CO 0.63 -1.01 1.17 -2.16 -2.94 0.00 0.00 177.10 172.80 1p8a s PRO 111 N -3.63 0.02 -0.25 3.55 0.04 -1.26 -4.30 135.00 129.18 1p8a s PRO 111 Ca 0.06 -0.03 -0.04 0.00 0.04 0.00 0.00 61.00 61.03 1p8a s PRO 111 Cb -0.02 -1.74 -0.14 0.00 0.04 0.00 0.00 34.50 32.64 1p8a s PRO 111 CO -0.05 -2.89 2.39 -0.35 0.04 0.00 0.00 177.00 176.14 1p8a n PRO 112 N -4.19 1.50 0.00 0.56 -0.04 -1.26 -3.48 135.00 128.10 1p8a n PRO 112 Ca 0.11 -0.85 0.00 0.00 -0.04 0.00 0.00 63.50 62.72 1p8a n PRO 112 Cb 0.59 -1.98 0.00 0.00 -0.04 0.00 0.00 33.50 32.07 1p8a n PRO 112 CO 0.00 0.00 0.00 -1.71 -0.04 0.00 0.00 175.50 173.75 1p8a n ASN 113 N 3.04 0.17 0.00 3.54 5.15 -1.26 -4.99 115.26 120.90 1p8a n ASN 113 Ca 0.32 -0.49 0.00 0.00 -0.60 0.00 0.00 54.58 53.81 1p8a n ASN 113 Cb 0.47 0.41 0.00 0.00 -0.53 0.00 0.00 39.78 40.13 1p8a n ASN 113 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1p8a n GLY 114 N 0.41 0.68 3.77 8.20 0.00 -1.23 -5.06 105.19 111.97 1p8a n GLY 114 Ca 0.00 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.63 1p8a n GLY 114 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1p8a s VAL 115 N 0.12 4.66 -0.08 1.61 1.01 -1.26 -4.63 120.40 121.82 1p8a s VAL 115 Ca 0.00 1.53 0.03 0.00 0.00 0.00 0.00 61.98 63.54 1p8a s VAL 115 Cb 0.00 -4.06 0.10 0.00 0.00 0.00 0.00 36.38 32.42 1p8a s VAL 115 CO 0.00 0.44 0.82 -0.67 0.00 0.00 0.00 175.10 175.69 1p8a n ASP 116 N 2.31 -0.72 -4.17 3.32 2.03 -1.26 -4.66 116.55 113.41 1p8a n ASP 116 Ca -0.05 -1.42 -0.29 0.00 0.52 0.00 0.00 54.79 53.54 1p8a n ASP 116 Cb 0.50 0.28 -0.06 0.00 -0.72 0.00 0.00 41.12 41.11 1p8a n ASP 116 CO 0.00 0.00 0.00 0.47 -1.92 0.00 0.00 177.20 175.75 1p8a n ASP 117 N -0.37 0.21 -4.76 1.67 8.00 -1.26 -4.86 116.55 115.18 1p8a n ASP 117 Ca -0.15 -1.15 -0.40 0.00 0.71 0.00 0.00 54.79 53.80 1p8a n ASP 117 Cb 0.60 -2.26 -0.04 0.00 -0.02 0.00 0.00 41.12 39.41 1p8a n ASP 117 CO 0.00 0.00 0.00 -2.16 -0.39 0.00 0.00 177.20 174.65 1p8a s PRO 118 N -7.01 4.58 -0.31 -0.24 0.04 -1.26 -4.97 135.00 125.82 1p8a s PRO 118 Ca 0.05 1.89 0.15 0.00 0.04 0.00 0.00 61.00 63.14 1p8a s PRO 118 Cb -0.03 -3.17 0.47 0.00 0.04 0.00 0.00 34.50 31.82 1p8a s PRO 118 CO 0.95 0.12 1.08 0.66 0.04 0.00 0.00 177.00 179.85 1p8a n TYR 119 N 1.13 1.87 -0.07 0.56 4.01 -1.26 -4.72 117.16 118.67 1p8a n TYR 119 Ca -0.01 -2.52 -0.09 0.00 -0.16 0.00 0.00 57.90 55.12 1p8a n TYR 119 Cb 0.44 -0.27 -0.09 0.00 -0.31 0.00 0.00 39.34 39.11 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 -0.43 0.00 -0.77 -0.72 9.36 -1.26 -5.10 117.16 118.24 1p8a n TYR 120 Ca 0.20 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.42 1p8a n TYR 120 Cb 0.81 -0.63 0.00 0.00 -0.63 0.00 0.00 39.34 38.89 1p8a n TYR 120 CO 0.00 0.00 0.00 0.43 0.22 0.00 0.00 176.86 177.51 1p8a n SER 121 N -2.78 1.27 0.29 2.98 7.64 -1.26 -4.99 113.62 116.77 1p8a n SER 121 Ca -0.26 0.00 0.14 0.00 1.01 0.00 0.00 58.87 59.76 1p8a n SER 121 Cb 0.85 0.00 0.85 0.00 -1.01 0.00 0.00 64.21 64.91 1p8a n SER 121 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 1p8a h SER 122 N 0.00 0.00 -1.48 6.43 0.02 -1.98 -3.43 113.55 113.11 1p8a h SER 122 Ca 0.00 0.00 -0.75 0.00 -0.84 0.00 0.00 61.79 60.20 1p8a h SER 122 Cb 0.00 0.00 0.03 0.00 0.14 0.00 0.00 62.40 62.57 1p8a h SER 122 CO 0.00 0.02 0.72 -0.90 -1.14 0.00 0.00 176.83 175.54 1p8a n ASP 123 N -3.89 1.93 0.00 3.07 5.68 -1.26 -2.57 116.55 119.51 1p8a n ASP 123 Ca -0.03 1.10 0.00 0.00 -0.50 0.00 0.00 54.79 55.37 1p8a n ASP 123 Cb 0.11 -1.11 0.00 0.00 -1.14 0.00 0.00 41.12 38.98 1p8a n ASP 123 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1p8a n GLY 124 N 3.62 1.21 0.13 6.12 0.00 -1.26 -4.59 105.19 110.43 1p8a n GLY 124 Ca 0.25 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 46.02 1p8a n GLY 124 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1p8a n PHE 125 N 0.00 0.18 0.00 1.61 3.72 -1.06 -4.20 117.46 117.71 1p8a n PHE 125 Ca 0.00 0.06 0.00 0.00 -0.05 0.00 0.00 57.45 57.46 1p8a n PHE 125 Cb 0.00 -1.02 0.00 0.00 -0.94 0.00 0.00 39.48 37.52 1p8a n PHE 125 CO 0.00 0.00 0.00 -0.35 -0.05 0.00 0.00 176.76 176.36 1p8a n PRO 126 N -3.88 0.00 -0.48 -1.08 -0.04 -1.26 -3.29 135.00 124.96 1p8a n PRO 126 Ca -0.48 0.27 0.40 0.00 -0.04 0.00 0.00 63.50 63.65 1p8a n PRO 126 Cb 0.91 -0.75 0.70 0.00 -0.04 0.00 0.00 33.50 34.32 1p8a n PRO 126 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1p8a h THR 127 N 0.00 0.16 0.08 0.52 1.03 -1.91 -0.94 112.91 111.86 1p8a h THR 127 Ca 0.00 -0.03 -0.00 0.00 -0.01 0.00 0.00 66.41 66.37 1p8a h THR 127 Cb 0.00 0.08 0.00 0.00 -1.07 0.00 0.00 68.15 67.16 1p8a h THR 127 CO 0.00 0.01 -0.04 -0.03 -0.01 0.00 0.00 175.52 175.45 1p8a h MET 128 N 0.08 -0.11 -0.53 0.00 -1.53 -1.73 0.61 114.93 111.72 1p8a h MET 128 Ca 0.80 0.01 0.11 0.00 -3.44 0.00 0.00 59.70 57.17 1p8a h MET 128 Cb 2.75 0.02 -0.10 0.00 -0.55 0.00 0.00 31.60 33.72 1p8a h MET 128 CO -0.25 -0.07 -0.14 0.35 0.14 0.00 0.00 176.91 176.93 1p8a h PHE 129 N -0.12 -0.31 -0.59 1.39 3.57 -1.26 0.24 116.94 119.85 1p8a h PHE 129 Ca -0.01 0.05 0.12 0.00 3.53 0.00 0.00 57.97 61.65 1p8a h PHE 129 Cb 0.08 0.22 -0.09 0.00 2.79 0.00 0.00 35.95 38.95 1p8a h PHE 129 CO 0.19 -0.24 0.06 0.00 -2.23 0.00 0.00 178.31 176.09 1p8a h ALA 130 N 1.50 0.64 -0.21 2.41 0.00 -1.21 -1.00 119.26 121.38 1p8a h ALA 130 Ca 0.25 0.16 -0.02 0.00 0.00 0.00 0.00 54.91 55.30 1p8a h ALA 130 Cb 0.40 0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.43 1p8a h ALA 130 CO -0.55 -0.35 0.05 1.03 0.00 0.00 0.00 179.25 179.42 1p8a h SER 131 N 0.18 0.33 -0.40 0.00 0.87 0.14 -0.01 113.55 114.67 1p8a h SER 131 Ca 0.31 -0.24 0.07 0.00 -1.23 0.00 0.00 61.79 60.70 1p8a h SER 131 Cb 0.48 -0.09 -0.09 0.00 -0.44 0.00 0.00 62.40 62.26 1p8a h SER 131 CO -0.45 0.49 -0.39 0.40 -0.53 0.00 0.00 176.83 176.34 1p8a h ILE 132 N 0.16 0.15 -0.16 2.23 1.08 0.59 0.12 117.51 121.68 1p8a h ILE 132 Ca 0.07 0.00 -0.01 0.00 -0.39 0.00 0.00 64.86 64.52 1p8a h ILE 132 Cb 0.29 0.15 -0.01 0.00 -3.07 0.00 0.00 36.82 34.18 1p8a h ILE 132 CO 0.00 0.00 0.05 0.77 -0.69 0.00 0.00 178.15 178.29 1p8a h SER 133 N -0.31 0.24 -0.41 1.72 4.64 -1.19 0.39 113.55 118.63 1p8a h SER 133 Ca 0.15 -0.20 0.12 0.00 -0.47 0.00 0.00 61.79 61.39 1p8a h SER 133 Cb 0.57 -0.06 -0.02 0.00 -0.31 0.00 0.00 62.40 62.58 1p8a h SER 133 CO -0.56 0.37 0.44 0.50 -0.87 0.00 0.00 176.83 176.71 1p8a h LYS 134 N 0.09 0.00 -0.10 4.77 3.11 -0.01 0.21 116.57 124.64 1p8a h LYS 134 Ca 0.05 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 57.89 1p8a h LYS 134 Cb 0.22 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 31.45 1p8a h LYS 134 CO -0.00 0.00 0.00 0.39 -2.81 0.00 0.00 179.45 177.03 1p8a n GLU 135 N -3.73 2.41 -0.00 1.90 -0.58 0.33 -4.53 120.64 116.44 1p8a n GLU 135 Ca 0.07 -2.17 0.00 0.00 -0.42 0.00 0.00 57.16 54.64 1p8a n GLU 135 Cb 0.62 -1.35 -0.01 0.00 -0.57 0.00 0.00 31.44 30.12 1p8a n GLU 135 CO 0.00 0.00 0.00 -0.12 -0.48 0.00 0.00 177.13 176.53 1p8a n MET 136 N -0.63 0.85 -0.05 3.49 1.56 0.13 -4.33 117.12 118.13 1p8a n MET 136 Ca 0.11 -0.01 -0.19 0.00 -0.27 0.00 0.00 57.70 57.34 1p8a n MET 136 Cb 0.52 -1.03 -0.13 0.00 2.15 0.00 0.00 33.22 34.73 1p8a n MET 136 CO 0.00 0.00 0.00 0.87 -0.73 0.00 0.00 175.97 176.11 1p8a h LYS 137 N 0.00 0.09 0.00 2.12 1.57 -1.42 -2.02 116.57 116.90 1p8a h LYS 137 Ca -0.01 -0.15 0.00 0.00 -1.87 0.00 0.00 60.65 58.62 1p8a h LYS 137 Cb 0.28 0.06 0.00 0.00 0.08 0.00 0.00 32.23 32.64 1p8a h LYS 137 CO 0.00 1.07 0.00 -0.35 -0.57 0.00 0.00 179.45 179.60 1p8a n PRO 138 N -4.34 0.50 -0.08 3.15 -0.04 -1.26 -3.23 135.00 129.70 1p8a n PRO 138 Ca -0.21 0.02 -0.17 0.00 -0.04 0.00 0.00 63.50 63.10 1p8a n PRO 138 Cb 0.68 -1.50 -0.06 0.00 -0.04 0.00 0.00 33.50 32.58 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 -1.23 0.00 0.23 0.54 -0.00 -1.25 -4.46 117.46 111.29 1p8a n PHE 139 Ca 0.15 0.00 0.03 0.00 -0.00 0.00 0.00 57.45 57.63 1p8a n PHE 139 Cb 0.20 -0.60 0.14 0.00 -0.00 0.00 0.00 39.48 39.22 1p8a n PHE 139 CO 0.00 0.00 0.00 -0.11 -0.00 0.00 0.00 176.76 176.65 1p8a n LEU 140 N -3.66 0.00 0.00 -2.13 0.00 -0.76 0.58 117.00 111.03 1p8a n LEU 140 Ca -0.32 0.48 0.00 0.00 0.00 0.00 0.00 56.01 56.17 1p8a n LEU 140 Cb 0.74 -0.48 0.00 0.00 0.00 0.00 0.00 43.42 43.68 1p8a n LEU 140 CO 0.03 -0.37 0.14 0.41 0.00 0.00 0.00 177.39 177.60 1p8a n THR 141 N -1.48 0.00 0.74 1.96 -1.04 -1.20 0.13 114.28 113.40 1p8a n THR 141 Ca 0.02 0.71 0.08 0.00 -2.04 0.00 0.00 64.05 62.81 1p8a n THR 141 Cb 0.07 -1.56 -0.02 0.00 -1.82 0.00 0.00 70.33 67.00 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 -1.69 1.66 -0.66 -2.82 1.02 -1.22 -1.05 120.64 115.88 1p8a n GLU 142 Ca 0.00 -0.68 0.03 0.00 -0.02 0.00 0.00 57.16 56.49 1p8a n GLU 142 Cb 0.00 -1.29 0.26 0.00 -0.02 0.00 0.00 31.44 30.40 1p8a n GLU 142 CO 0.00 0.00 0.00 1.58 1.18 0.00 0.00 177.13 179.89 1p8a n HIS 143 N -0.34 1.35 0.04 -0.32 -0.00 0.20 -4.78 115.22 111.36 1p8a n HIS 143 Ca 0.06 -1.09 0.00 0.00 0.46 0.00 0.00 57.72 57.15 1p8a n HIS 143 Cb 0.33 -0.44 0.00 0.00 -0.12 0.00 0.00 29.99 29.76 1p8a n HIS 143 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 1p8a n GLY 144 N -0.52 -0.87 0.00 1.57 0.00 -1.03 -4.65 105.19 99.69 1p8a n GLY 144 Ca 0.28 0.26 0.00 0.00 0.00 0.00 0.00 46.02 46.57 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 -2.63 0.00 0.00 0.99 4.32 0.35 -4.62 117.00 115.40 1p8a n LEU 145 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 55.99 1p8a n LEU 145 Cb 0.00 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 41.80 1p8a n LEU 145 CO 0.00 0.00 0.00 0.00 -1.22 0.00 0.00 177.39 176.17