#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3h8b s PRO 2 N 0.00 0.70 0.32 0.00 0.02 -1.26 -4.94 135.00 129.85 3h8b s PRO 2 Ca 0.00 1.46 0.08 0.00 0.02 0.00 0.00 61.00 62.57 3h8b s PRO 2 Cb 0.00 -1.70 0.56 0.00 0.02 0.00 0.00 34.50 33.38 3h8b s PRO 2 CO 0.00 -2.82 1.76 0.00 -0.33 0.00 0.00 177.00 175.61 3h8b h ARG 3 N -2.01 0.18 -3.74 5.54 2.47 -2.02 -3.45 114.38 111.36 3h8b h ARG 3 Ca -0.46 -0.08 -0.16 0.00 -1.26 0.00 0.00 59.98 58.03 3h8b h ARG 3 Cb 1.28 -0.01 -0.21 0.00 -1.65 0.00 0.00 29.97 29.38 3h8b h ARG 3 CO 0.42 0.53 -0.59 -1.12 0.56 0.00 0.00 179.97 179.77 3h8b s SER 4 N -6.89 0.13 -0.14 7.04 0.01 -1.26 -4.47 113.70 108.11 3h8b s SER 4 Ca -0.04 -0.35 -0.13 0.00 1.31 0.00 0.00 55.95 56.74 3h8b s SER 4 Cb 0.14 0.15 0.04 0.00 0.21 0.00 0.00 66.02 66.56 3h8b s SER 4 CO 0.76 -0.34 0.38 -0.69 0.41 0.00 0.00 173.24 173.76 3h8b s VAL 5 N -1.43 -0.00 -0.28 3.43 1.01 0.54 -4.96 120.40 118.72 3h8b s VAL 5 Ca -0.15 0.01 0.00 0.00 0.00 0.00 0.00 61.98 61.84 3h8b s VAL 5 Cb -0.09 -0.54 0.15 0.00 0.00 0.00 0.00 36.38 35.90 3h8b s VAL 5 CO 0.00 0.00 0.39 -0.62 0.00 0.00 0.00 175.10 174.87 3h8b s ASP 6 N 0.30 0.50 0.05 3.32 -1.08 -1.26 0.54 116.67 119.04 3h8b s ASP 6 Ca -0.01 -0.25 0.17 0.00 -0.52 0.00 0.00 52.55 51.94 3h8b s ASP 6 Cb -0.03 1.04 0.70 0.00 -1.46 0.00 0.00 42.92 43.17 3h8b s ASP 6 CO -0.01 -0.34 1.52 0.79 0.52 0.00 0.00 175.17 177.65 3h8b n TRP 7 N 5.35 0.16 0.22 -5.34 7.02 -0.01 -2.10 117.44 122.74 3h8b n TRP 7 Ca -0.01 0.06 0.07 0.00 -1.02 0.00 0.00 57.50 56.61 3h8b n TRP 7 Cb 0.49 -0.60 0.50 0.00 -2.42 0.00 0.00 31.31 29.28 3h8b n TRP 7 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 3h8b h ARG 8 N 0.00 0.00 -0.13 -0.99 3.08 -1.96 -2.40 114.38 111.97 3h8b h ARG 8 Ca 0.00 0.00 0.04 0.00 0.07 0.00 0.00 59.98 60.09 3h8b h ARG 8 Cb 0.28 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.32 3h8b h ARG 8 CO 0.00 0.26 0.12 0.93 -1.07 0.00 0.00 179.97 180.21 3h8b h GLU 9 N 0.00 0.00 -0.10 0.04 5.08 -1.83 -2.64 114.58 115.13 3h8b h GLU 9 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3h8b h GLU 9 Cb 0.56 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.81 3h8b h GLU 9 CO 0.03 0.00 0.00 1.63 -1.00 0.00 0.00 179.01 179.67 3h8b n LYS 10 N -4.07 1.71 -1.21 2.33 4.76 -0.91 -5.00 118.16 115.78 3h8b n LYS 10 Ca 0.00 -1.70 0.00 0.00 -2.87 0.00 0.00 58.31 53.74 3h8b n LYS 10 Cb 0.24 -1.36 0.00 0.00 -1.84 0.00 0.00 35.03 32.07 3h8b n LYS 10 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3h8b n GLY 11 N 1.05 0.55 0.06 0.72 0.00 -1.00 -4.97 105.19 101.61 3h8b n GLY 11 Ca 0.12 -0.84 0.12 0.00 0.00 0.00 0.00 46.02 45.42 3h8b n GLY 11 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3h8b n TYR 12 N -3.13 0.54 -4.73 1.61 4.02 -1.18 -4.79 117.16 109.50 3h8b n TYR 12 Ca 0.00 0.16 -0.33 0.00 -0.01 0.00 0.00 57.90 57.72 3h8b n TYR 12 Cb 0.19 -0.66 -0.14 0.00 -0.02 0.00 0.00 39.34 38.71 3h8b n TYR 12 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 176.86 175.93 3h8b s VAL 13 N -3.12 3.21 0.85 -0.72 1.01 -1.26 -3.81 120.40 116.55 3h8b s VAL 13 Ca 0.08 -0.61 -0.13 0.00 0.00 0.00 0.00 61.98 61.32 3h8b s VAL 13 Cb 0.14 -2.35 0.11 0.00 0.00 0.00 0.00 36.38 34.28 3h8b s VAL 13 CO 0.68 0.53 1.21 0.42 0.00 0.00 0.00 175.10 177.94 3h8b s THR 14 N 0.22 2.01 0.87 3.92 -4.23 -1.26 -5.03 115.64 112.13 3h8b s THR 14 Ca -0.07 -0.01 -0.10 0.00 -1.18 0.00 0.00 61.69 60.33 3h8b s THR 14 Cb -0.15 -3.00 0.12 0.00 1.34 0.00 0.00 72.50 70.81 3h8b s THR 14 CO 0.05 0.00 1.12 -2.84 -0.54 0.00 0.00 174.62 172.41 3h8b s PRO 15 N -5.65 1.42 0.29 3.99 0.02 -1.26 -4.93 135.00 128.89 3h8b s PRO 15 Ca 0.65 1.39 -0.30 0.00 0.02 0.00 0.00 61.00 62.76 3h8b s PRO 15 Cb -0.09 -1.79 -0.11 0.00 0.02 0.00 0.00 34.50 32.53 3h8b s PRO 15 CO 0.50 -2.30 1.52 0.08 -0.33 0.00 0.00 177.00 176.47 3h8b s VAL 16 N -2.74 2.28 0.50 3.83 1.01 -1.26 -5.02 120.40 118.99 3h8b s VAL 16 Ca 0.65 0.24 0.07 0.00 0.00 0.00 0.00 61.98 62.94 3h8b s VAL 16 Cb -0.21 -3.16 0.02 0.00 0.00 0.00 0.00 36.38 33.04 3h8b s VAL 16 CO 0.57 0.04 0.42 -0.54 0.00 0.00 0.00 175.10 175.60 3h8b s LYS 17 N -0.72 2.34 -0.17 2.72 1.02 -1.26 -4.80 119.74 118.87 3h8b s LYS 17 Ca 0.60 -1.82 -0.03 0.00 0.02 0.00 0.00 55.97 54.74 3h8b s LYS 17 Cb -0.45 -2.23 0.06 0.00 -0.52 0.00 0.00 37.83 34.68 3h8b s LYS 17 CO 0.49 -0.48 0.05 1.21 -0.92 0.00 0.00 175.35 175.69 3h8b s ASN 18 N -4.25 2.54 0.47 2.83 3.84 -1.26 -0.91 114.94 118.21 3h8b s ASN 18 Ca 0.42 -0.65 0.30 0.00 0.21 0.00 0.00 52.86 53.14 3h8b s ASN 18 Cb -0.02 -0.47 1.17 0.00 -0.55 0.00 0.00 41.25 41.38 3h8b s ASN 18 CO 0.25 -0.30 1.89 0.06 -2.79 0.00 0.00 177.10 176.20 3h8b h GLN 19 N 8.31 0.00 0.00 0.43 3.07 -1.15 -3.47 115.11 122.29 3h8b h GLN 19 Ca -0.16 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.58 3h8b h GLN 19 Cb 1.13 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.69 3h8b h GLN 19 CO 0.31 0.00 0.00 0.41 0.09 0.00 0.00 178.83 179.64 3h8b n GLY 20 N 0.19 0.32 2.51 0.06 0.00 -1.26 -3.82 105.19 103.19 3h8b n GLY 20 Ca 0.01 -0.95 -0.40 0.00 0.00 0.00 0.00 46.02 44.68 3h8b n GLY 20 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3h8b n GLN 21 N 0.00 3.40 -3.70 1.61 6.02 -1.26 -4.77 117.38 118.68 3h8b n GLN 21 Ca 0.00 -2.47 -0.11 0.00 -0.01 0.00 0.00 57.00 54.41 3h8b n GLN 21 Cb 0.00 -2.99 -0.10 0.00 1.02 0.00 0.00 30.24 28.16 3h8b n GLN 21 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3h8b n GLY 23 N 3.87 3.93 1.19 0.00 0.00 0.30 -4.50 105.19 109.98 3h8b n GLY 23 Ca -0.20 -1.44 0.08 0.00 0.00 0.00 0.00 46.02 44.46 3h8b n GLY 23 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3h8b n SER 24 N 3.21 4.39 -0.24 1.61 3.41 -1.26 -2.64 113.62 122.10 3h8b n SER 24 Ca 0.68 -2.90 0.13 0.00 -0.26 0.00 0.00 58.87 56.53 3h8b n SER 24 Cb 0.42 -0.57 0.42 0.00 -0.26 0.00 0.00 64.21 64.23 3h8b n SER 24 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3h8b h TRP 26 N 0.59 0.76 -0.27 0.00 5.08 -1.83 0.32 115.95 120.61 3h8b h TRP 26 Ca 0.43 0.02 -0.18 0.00 1.08 0.00 0.00 58.89 60.23 3h8b h TRP 26 Cb 0.79 -0.26 -0.00 0.00 -3.00 0.00 0.00 29.16 26.70 3h8b h TRP 26 CO -0.00 0.44 -0.56 0.00 -1.28 0.00 0.00 178.44 177.04 3h8b h ALA 27 N 1.61 0.50 -0.35 0.11 0.00 -1.17 -1.86 119.26 118.09 3h8b h ALA 27 Ca 0.27 -0.52 -0.12 0.00 0.00 0.00 0.00 54.91 54.54 3h8b h ALA 27 Cb 0.09 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 3h8b h ALA 27 CO -0.08 0.68 -0.26 0.74 0.00 0.00 0.00 179.25 180.33 3h8b h PHE 28 N 0.63 0.82 -0.52 0.00 -1.00 -1.12 -0.19 116.94 115.57 3h8b h PHE 28 Ca 0.01 -0.20 -0.06 0.00 2.81 0.00 0.00 57.97 60.53 3h8b h PHE 28 Cb 1.16 -0.19 -0.02 0.00 3.61 0.00 0.00 35.95 40.50 3h8b h PHE 28 CO 0.07 0.91 0.08 1.03 -1.61 0.00 0.00 178.31 178.78 3h8b h SER 29 N 0.62 0.83 0.04 2.17 0.87 -0.96 -1.51 113.55 115.60 3h8b h SER 29 Ca 0.08 -0.26 -0.00 0.00 -1.23 0.00 0.00 61.79 60.38 3h8b h SER 29 Cb 0.77 -0.22 0.00 0.00 -0.44 0.00 0.00 62.40 62.51 3h8b h SER 29 CO 0.06 0.88 -0.02 0.00 -0.53 0.00 0.00 176.83 177.22 3h8b h ALA 30 N 0.98 -0.05 -0.60 6.23 0.00 -1.12 -1.71 119.26 122.99 3h8b h ALA 30 Ca 0.16 -0.10 -0.00 0.00 0.00 0.00 0.00 54.91 54.97 3h8b h ALA 30 Cb 0.41 0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.19 3h8b h ALA 30 CO 0.01 -0.44 0.36 1.79 0.00 0.00 0.00 179.25 180.97 3h8b h THR 31 N -0.23 1.17 -0.36 0.00 1.35 -1.00 -0.66 112.91 113.18 3h8b h THR 31 Ca -0.01 -0.38 -0.01 0.00 -0.55 0.00 0.00 66.41 65.47 3h8b h THR 31 Cb 0.21 0.33 -0.02 0.00 -1.73 0.00 0.00 68.15 66.95 3h8b h THR 31 CO 0.01 0.18 0.20 1.23 -0.25 0.00 0.00 175.52 176.89 3h8b h GLY 32 N 0.86 0.53 1.38 5.82 0.00 -1.05 0.46 103.07 111.07 3h8b h GLY 32 Ca 0.21 -0.23 -0.13 0.00 0.00 0.00 0.00 47.33 47.18 3h8b h GLY 32 CO -0.04 0.22 -0.35 0.00 0.00 0.00 0.00 176.54 176.37 3h8b h ALA 33 N 1.07 0.81 -0.23 3.60 0.00 -0.87 -2.46 119.26 121.18 3h8b h ALA 33 Ca 0.13 -0.42 -0.16 0.00 0.00 0.00 0.00 54.91 54.45 3h8b h ALA 33 Cb 0.04 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 3h8b h ALA 33 CO -0.02 0.65 -0.50 1.25 0.00 0.00 0.00 179.25 180.62 3h8b h LEU 34 N 0.57 0.69 -0.51 0.00 6.46 -0.92 -1.41 115.31 120.19 3h8b h LEU 34 Ca 0.06 -0.35 0.03 0.00 -0.12 0.00 0.00 57.88 57.50 3h8b h LEU 34 Cb 0.87 -0.20 -0.04 0.00 -0.73 0.00 0.00 40.66 40.57 3h8b h LEU 34 CO 0.08 1.07 0.28 -0.33 -0.62 0.00 0.00 178.44 178.91 3h8b h GLU 35 N 0.49 0.53 -0.38 1.25 5.08 -0.00 0.48 114.58 122.03 3h8b h GLU 35 Ca 0.02 -0.03 -0.03 0.00 -1.00 0.00 0.00 59.36 58.32 3h8b h GLU 35 Cb 1.05 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 30.16 3h8b h GLU 35 CO 0.10 0.35 0.12 0.78 -1.00 0.00 0.00 179.01 179.36 3h8b h GLY 36 N 0.54 0.65 1.71 -3.84 0.00 -1.18 -1.03 103.07 99.92 3h8b h GLY 36 Ca 0.21 -0.38 -0.14 0.00 0.00 0.00 0.00 47.33 47.02 3h8b h GLY 36 CO -0.13 0.36 -0.54 1.46 0.00 0.00 0.00 176.54 177.69 3h8b h GLN 37 N 0.47 0.31 -0.45 4.80 1.08 -1.03 -0.98 115.11 119.31 3h8b h GLN 37 Ca 0.12 -0.19 -0.13 0.00 -1.45 0.00 0.00 58.65 57.00 3h8b h GLN 37 Cb 0.26 0.02 -0.01 0.00 -0.05 0.00 0.00 27.48 27.70 3h8b h GLN 37 CO -0.00 0.77 -0.25 0.52 -0.95 0.00 0.00 178.83 178.92 3h8b h MET 38 N 0.24 0.95 -0.29 1.46 2.86 -0.83 -2.23 114.93 117.09 3h8b h MET 38 Ca 0.00 -0.42 -0.02 0.00 -2.06 0.00 0.00 59.70 57.21 3h8b h MET 38 Cb 1.02 -0.03 -0.01 0.00 0.06 0.00 0.00 31.60 32.65 3h8b h MET 38 CO 0.09 1.08 0.09 0.35 1.06 0.00 0.00 176.91 179.58 3h8b h PHE 39 N 0.81 0.46 -0.87 -0.22 3.57 -0.93 -0.34 116.94 119.42 3h8b h PHE 39 Ca 0.10 -0.05 0.12 0.00 3.53 0.00 0.00 57.97 61.67 3h8b h PHE 39 Cb 0.82 -0.13 -0.06 0.00 2.79 0.00 0.00 35.95 39.36 3h8b h PHE 39 CO 0.05 0.49 0.56 -0.09 -2.23 0.00 0.00 178.31 177.09 3h8b h ARG 40 N 0.30 0.75 0.18 1.11 2.43 -1.07 0.68 114.38 118.75 3h8b h ARG 40 Ca 0.09 -0.04 -0.31 0.00 -0.81 0.00 0.00 59.98 58.91 3h8b h ARG 40 Cb 0.24 -0.17 0.02 0.00 -0.42 0.00 0.00 29.97 29.64 3h8b h ARG 40 CO -0.00 0.49 -1.43 -0.22 -1.51 0.00 0.00 179.97 177.30 3h8b h LYS 41 N 0.77 0.39 -0.00 0.20 3.64 -1.02 -3.39 116.57 117.15 3h8b h LYS 41 Ca 0.42 -0.67 0.00 0.00 -1.27 0.00 0.00 60.65 59.13 3h8b h LYS 41 Cb 0.55 0.25 0.00 0.00 -0.41 0.00 0.00 32.23 32.62 3h8b h LYS 41 CO -0.18 1.30 -0.08 0.25 -2.27 0.00 0.00 179.45 178.48 3h8b n THR 42 N -3.60 0.00 -0.91 1.00 -2.24 -0.17 -4.99 114.28 103.36 3h8b n THR 42 Ca -0.14 -0.46 0.00 0.00 -2.27 0.00 0.00 64.05 61.17 3h8b n THR 42 Cb 1.07 1.03 0.00 0.00 -2.10 0.00 0.00 70.33 70.33 3h8b n THR 42 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3h8b n GLY 43 N 0.66 0.50 3.36 3.38 0.00 0.23 -4.99 105.19 108.34 3h8b n GLY 43 Ca 0.01 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.70 3h8b n GLY 43 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3h8b s ARG 44 N -0.50 3.41 -0.43 1.61 0.52 -1.26 -5.02 118.95 117.28 3h8b s ARG 44 Ca 0.00 -0.65 -0.17 0.00 -0.52 0.00 0.00 55.73 54.39 3h8b s ARG 44 Cb 0.00 -2.77 0.03 0.00 0.52 0.00 0.00 34.95 32.73 3h8b s ARG 44 CO 0.00 0.09 0.45 -1.17 0.02 0.00 0.00 175.30 174.69 3h8b s LEU 45 N 0.68 4.91 -0.14 2.53 2.96 -1.26 -3.85 118.68 124.52 3h8b s LEU 45 Ca -0.05 -0.73 0.01 0.00 -0.22 0.00 0.00 54.13 53.14 3h8b s LEU 45 Cb -0.15 -2.38 0.02 0.00 0.50 0.00 0.00 46.19 44.18 3h8b s LEU 45 CO 0.02 -0.60 -0.15 -0.63 -1.32 0.00 0.00 176.35 173.67 3h8b s ILE 46 N 2.14 1.60 0.17 6.68 -1.09 -1.26 -5.10 121.20 124.33 3h8b s ILE 46 Ca 0.12 -0.67 -0.31 0.00 -2.23 0.00 0.00 60.65 57.56 3h8b s ILE 46 Cb -0.18 -1.48 -0.10 0.00 -1.58 0.00 0.00 42.46 39.13 3h8b s ILE 46 CO 0.13 0.46 1.52 -0.55 -1.23 0.00 0.00 174.94 175.27 3h8b s SER 47 N 1.26 6.64 0.18 3.58 0.15 -1.26 -4.84 113.70 119.41 3h8b s SER 47 Ca 0.00 2.58 0.04 0.00 0.70 0.00 0.00 55.95 59.27 3h8b s SER 47 Cb -0.14 -2.60 -0.03 0.00 -1.71 0.00 0.00 66.02 61.54 3h8b s SER 47 CO -0.07 -0.77 0.28 -0.76 1.20 0.00 0.00 173.24 173.11 3h8b s LEU 48 N 0.88 4.23 -0.52 3.45 1.43 -1.26 0.18 118.68 127.06 3h8b s LEU 48 Ca 0.67 0.08 -0.28 0.00 -1.03 0.00 0.00 54.13 53.57 3h8b s LEU 48 Cb -0.42 -2.79 0.03 0.00 0.03 0.00 0.00 46.19 43.04 3h8b s LEU 48 CO 0.33 0.02 1.10 -0.55 0.23 0.00 0.00 176.35 177.48 3h8b s SER 49 N -3.43 6.52 0.25 2.29 0.15 -0.58 -4.12 113.70 114.77 3h8b s SER 49 Ca 0.34 0.20 0.07 0.00 0.70 0.00 0.00 55.95 57.25 3h8b s SER 49 Cb -0.10 -2.52 0.29 0.00 -1.71 0.00 0.00 66.02 61.98 3h8b s SER 49 CO 0.28 -1.29 1.58 -0.33 1.20 0.00 0.00 173.24 174.67 3h8b h GLU 50 N 9.32 0.15 -1.00 5.44 3.07 -1.88 -3.13 114.58 126.56 3h8b h GLU 50 Ca -0.24 -0.10 0.01 0.00 -0.50 0.00 0.00 59.36 58.52 3h8b h GLU 50 Cb 1.06 0.02 -0.05 0.00 -0.84 0.00 0.00 28.75 28.94 3h8b h GLU 50 CO 1.13 0.71 0.66 0.37 -1.40 0.00 0.00 179.01 180.48 3h8b h GLN 51 N 0.11 1.32 -0.61 2.33 5.75 -1.84 -0.29 115.11 121.88 3h8b h GLN 51 Ca -0.01 -0.08 0.06 0.00 -0.15 0.00 0.00 58.65 58.47 3h8b h GLN 51 Cb 1.10 -0.30 -0.05 0.00 1.07 0.00 0.00 27.48 29.30 3h8b h GLN 51 CO 0.09 0.88 0.31 -0.97 -2.65 0.00 0.00 178.83 176.49 3h8b h ASN 52 N 1.36 0.44 -0.41 -0.69 -0.00 -1.78 0.17 115.58 114.66 3h8b h ASN 52 Ca 0.37 0.04 -0.09 0.00 -0.00 0.00 0.00 56.30 56.61 3h8b h ASN 52 Cb -0.15 -0.04 -0.01 0.00 -0.00 0.00 0.00 38.32 38.11 3h8b h ASN 52 CO -0.08 0.28 -0.11 -0.07 -0.00 0.00 0.00 177.43 177.46 3h8b h LEU 53 N 0.58 0.81 -0.54 0.34 3.38 -1.38 -1.37 115.31 117.14 3h8b h LEU 53 Ca 0.28 -0.37 -0.02 0.00 0.09 0.00 0.00 57.88 57.87 3h8b h LEU 53 Cb 0.21 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.71 3h8b h LEU 53 CO -0.20 0.99 0.27 0.58 0.09 0.00 0.00 178.44 180.18 3h8b h VAL 54 N 0.62 1.19 0.00 1.22 2.07 -0.48 -2.08 116.25 118.79 3h8b h VAL 54 Ca 0.10 -0.52 -0.15 0.00 0.82 0.00 0.00 66.70 66.95 3h8b h VAL 54 Cb 0.64 0.55 -0.02 0.00 -1.52 0.00 0.00 31.29 30.94 3h8b h VAL 54 CO 0.04 0.21 -0.71 0.44 0.02 0.00 0.00 177.57 177.57 3h8b h ASP 55 N 0.72 0.00 0.00 0.57 3.32 -0.96 -3.38 116.42 116.69 3h8b h ASP 55 Ca 0.19 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.24 3h8b h ASP 55 Cb 0.09 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.64 3h8b h ASP 55 CO -0.03 0.71 -0.37 0.00 -1.72 0.00 0.00 179.24 177.84 3h8b n SER 57 N -1.19 3.79 -0.33 0.00 3.41 -0.79 -4.35 113.62 114.15 3h8b n SER 57 Ca 0.01 -2.64 -0.04 0.00 -0.26 0.00 0.00 58.87 55.94 3h8b n SER 57 Cb 0.08 -0.63 0.09 0.00 -0.26 0.00 0.00 64.21 63.49 3h8b n SER 57 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 3h8b h GLY 58 N 4.00 1.35 1.39 5.00 0.00 -1.84 -2.56 103.07 110.41 3h8b h GLY 58 Ca 0.07 -0.62 0.05 0.00 0.00 0.00 0.00 47.33 46.83 3h8b h GLY 58 CO 0.37 0.60 0.29 -2.55 0.00 0.00 0.00 176.54 175.24 3h8b h PRO 59 N 1.26 0.36 0.00 4.80 0.11 -1.87 -0.29 132.00 136.37 3h8b h PRO 59 Ca 0.31 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.40 3h8b h PRO 59 Cb 0.04 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 31.07 3h8b h PRO 59 CO -0.05 0.24 0.00 1.04 -0.21 0.00 0.00 178.00 179.02 3h8b n GLN 60 N -4.48 0.17 0.00 1.05 3.00 -1.00 -4.88 117.38 111.25 3h8b n GLN 60 Ca 0.05 0.27 0.00 0.00 -0.01 0.00 0.00 57.00 57.32 3h8b n GLN 60 Cb 0.23 -1.75 0.00 0.00 0.00 0.00 0.00 30.24 28.72 3h8b n GLN 60 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 3h8b n GLY 61 N 0.65 1.14 3.81 1.08 0.00 -0.12 -4.88 105.19 106.87 3h8b n GLY 61 Ca 0.04 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.75 3h8b n GLY 61 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3h8b s ASN 62 N -0.80 5.10 -0.22 1.61 0.01 -1.02 -4.92 114.94 114.70 3h8b s ASN 62 Ca 0.00 1.59 0.14 0.00 -0.71 0.00 0.00 52.86 53.88 3h8b s ASN 62 Cb 0.00 -2.42 0.46 0.00 0.41 0.00 0.00 41.25 39.69 3h8b s ASN 62 CO 0.00 -1.62 1.18 -0.62 -1.51 0.00 0.00 177.10 174.53 3h8b n GLU 63 N -3.24 2.22 0.00 -0.60 -0.58 0.62 -4.23 120.64 114.83 3h8b n GLU 63 Ca 0.08 -3.52 0.00 0.00 -0.42 0.00 0.00 57.16 53.30 3h8b n GLU 63 Cb 0.54 -1.67 0.00 0.00 -0.57 0.00 0.00 31.44 29.74 3h8b n GLU 63 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3h8b n GLY 64 N -0.63 3.71 0.00 0.62 0.00 -1.24 -1.03 105.19 106.63 3h8b n GLY 64 Ca 0.25 0.07 0.13 0.00 0.00 0.00 0.00 46.02 46.47 3h8b n GLY 64 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3h8b n ASN 66 N -1.20 3.07 0.00 0.00 3.02 -0.19 -0.54 115.26 119.42 3h8b n ASN 66 Ca 0.14 -1.95 0.00 0.00 -0.03 0.00 0.00 54.58 52.75 3h8b n ASN 66 Cb 0.17 -0.29 0.00 0.00 -0.61 0.00 0.00 39.78 39.05 3h8b n ASN 66 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3h8b n GLY 67 N 1.43 2.72 0.00 7.41 0.00 -1.08 -4.88 105.19 110.78 3h8b n GLY 67 Ca 0.19 -2.10 0.00 0.00 0.00 0.00 0.00 46.02 44.11 3h8b n GLY 67 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3h8b n GLY 68 N -1.04 -1.31 3.04 -0.02 0.00 -1.26 -0.28 105.19 104.32 3h8b n GLY 68 Ca 0.00 -0.95 -0.18 0.00 0.00 0.00 0.00 46.02 44.89 3h8b n GLY 68 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3h8b s LEU 69 N 0.00 2.06 0.29 0.99 1.43 -1.26 -4.76 118.68 117.43 3h8b s LEU 69 Ca 0.00 -0.24 -0.03 0.00 -1.03 0.00 0.00 54.13 52.83 3h8b s LEU 69 Cb 0.00 -0.46 0.41 0.00 0.03 0.00 0.00 46.19 46.17 3h8b s LEU 69 CO 0.00 0.07 1.94 0.24 0.23 0.00 0.00 176.35 178.83 3h8b h MET 70 N 5.65 1.09 -0.51 1.70 2.86 -1.97 -2.18 114.93 121.57 3h8b h MET 70 Ca -0.32 -0.09 -0.04 0.00 -2.06 0.00 0.00 59.70 57.20 3h8b h MET 70 Cb 1.18 -0.23 -0.02 0.00 0.06 0.00 0.00 31.60 32.58 3h8b h MET 70 CO 0.48 0.75 0.16 -0.44 1.06 0.00 0.00 176.91 178.92 3h8b h ASP 71 N 1.11 0.68 -0.40 1.22 3.32 -1.96 -0.11 116.42 120.28 3h8b h ASP 71 Ca 0.29 -0.10 -0.06 0.00 0.02 0.00 0.00 57.03 57.19 3h8b h ASP 71 Cb -0.07 -0.18 -0.02 0.00 0.22 0.00 0.00 39.33 39.28 3h8b h ASP 71 CO -0.06 0.65 0.05 1.88 -1.72 0.00 0.00 179.24 180.04 3h8b h TYR 72 N 0.73 0.79 -0.53 4.55 0.05 -1.77 -0.85 116.97 119.94 3h8b h TYR 72 Ca 0.17 -0.09 -0.08 0.00 0.05 0.00 0.00 58.73 58.78 3h8b h TYR 72 Cb 0.21 -0.22 -0.02 0.00 1.01 0.00 0.00 36.73 37.70 3h8b h TYR 72 CO 0.01 0.71 0.01 0.00 -1.05 0.00 0.00 178.16 177.84 3h8b h ALA 73 N 1.34 0.71 -0.44 3.88 0.00 -0.53 -0.85 119.26 123.38 3h8b h ALA 73 Ca 0.15 -0.29 -0.07 0.00 0.00 0.00 0.00 54.91 54.71 3h8b h ALA 73 Cb 0.36 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 3h8b h ALA 73 CO 0.01 0.52 -0.00 0.74 0.00 0.00 0.00 179.25 180.52 3h8b h PHE 74 N 0.80 0.76 -0.65 0.00 0.04 -0.78 -2.13 116.94 114.98 3h8b h PHE 74 Ca 0.15 -0.10 -0.07 0.00 2.80 0.00 0.00 57.97 60.75 3h8b h PHE 74 Cb 0.51 -0.21 -0.03 0.00 2.20 0.00 0.00 35.95 38.43 3h8b h PHE 74 CO 0.04 0.72 0.14 0.37 -0.60 0.00 0.00 178.31 178.98 3h8b h GLN 75 N 0.68 1.06 -0.06 1.51 5.75 -0.91 -2.32 115.11 120.82 3h8b h GLN 75 Ca 0.13 -0.26 0.01 0.00 -0.15 0.00 0.00 58.65 58.38 3h8b h GLN 75 Cb 0.43 -0.13 -0.01 0.00 1.07 0.00 0.00 27.48 28.83 3h8b h GLN 75 CO 0.02 0.96 0.01 -0.92 -2.65 0.00 0.00 178.83 176.25 3h8b h TYR 76 N 0.98 0.03 -0.84 3.99 3.20 -0.56 0.18 116.97 123.94 3h8b h TYR 76 Ca 0.20 0.00 0.10 0.00 3.14 0.00 0.00 58.73 62.17 3h8b h TYR 76 Cb 0.38 -0.00 -0.07 0.00 1.54 0.00 0.00 36.73 38.58 3h8b h TYR 76 CO 0.03 0.01 0.48 0.28 -1.64 0.00 0.00 178.16 177.32 3h8b h VAL 77 N 0.04 0.90 0.01 1.81 2.07 -1.29 0.38 116.25 120.17 3h8b h VAL 77 Ca 0.02 -0.28 -0.00 0.00 0.82 0.00 0.00 66.70 67.27 3h8b h VAL 77 Cb 0.01 0.03 0.00 0.00 -1.52 0.00 0.00 31.29 29.82 3h8b h VAL 77 CO -0.03 0.15 -0.01 -0.61 0.02 0.00 0.00 177.57 177.09 3h8b h GLN 78 N 0.80 -0.02 -0.18 1.57 4.15 -1.09 -0.93 115.11 119.42 3h8b h GLN 78 Ca 0.41 0.00 -0.07 0.00 0.77 0.00 0.00 58.65 59.76 3h8b h GLN 78 Cb 0.38 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 28.06 3h8b h GLN 78 CO -0.25 0.34 -0.19 -0.44 -1.93 0.00 0.00 178.83 176.36 3h8b h ASP 79 N -0.37 0.30 1.39 -0.69 3.32 -0.18 -3.03 116.42 117.15 3h8b h ASP 79 Ca -0.00 -0.08 -0.07 0.00 0.02 0.00 0.00 57.03 56.90 3h8b h ASP 79 Cb 0.36 -0.08 -0.01 0.00 0.22 0.00 0.00 39.33 39.82 3h8b h ASP 79 CO 0.00 0.51 -0.63 -1.13 -1.72 0.00 0.00 179.24 176.27 3h8b h ASN 80 N 0.28 0.00 -0.05 6.45 -1.24 -0.23 -3.48 115.58 117.31 3h8b h ASN 80 Ca 0.05 0.00 -0.02 0.00 0.71 0.00 0.00 56.30 57.04 3h8b h ASN 80 Cb 0.50 0.00 -0.01 0.00 0.73 0.00 0.00 38.32 39.54 3h8b h ASN 80 CO 0.03 0.27 -0.02 0.61 -1.29 0.00 0.00 177.43 177.04 3h8b n GLY 81 N 1.21 0.46 0.00 1.57 0.00 -0.40 -4.97 105.19 103.07 3h8b n GLY 81 Ca -0.00 -1.02 0.00 0.00 0.00 0.00 0.00 46.02 45.00 3h8b n GLY 81 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3h8b n GLY 82 N -2.87 1.44 3.26 -0.02 0.00 -0.92 -4.94 105.19 101.14 3h8b n GLY 82 Ca -0.01 -1.16 -0.11 0.00 0.00 0.00 0.00 46.02 44.74 3h8b n GLY 82 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3h8b s LEU 83 N 0.00 0.04 0.65 0.99 2.96 -1.02 -4.63 118.68 117.67 3h8b s LEU 83 Ca 0.00 0.85 -0.13 0.00 -0.22 0.00 0.00 54.13 54.63 3h8b s LEU 83 Cb 0.00 1.30 -0.01 0.00 0.50 0.00 0.00 46.19 47.99 3h8b s LEU 83 CO 0.00 -0.18 1.07 -1.81 -1.32 0.00 0.00 176.35 174.10 3h8b s ASP 84 N 1.19 5.45 0.71 3.68 1.01 -1.26 -1.41 116.67 126.04 3h8b s ASP 84 Ca -0.08 1.76 -0.11 0.00 0.71 0.00 0.00 52.55 54.83 3h8b s ASP 84 Cb -0.08 -2.52 0.02 0.00 1.01 0.00 0.00 42.92 41.36 3h8b s ASP 84 CO -0.10 -1.39 1.07 -0.94 0.21 0.00 0.00 175.17 174.02 3h8b s SER 85 N -3.19 5.10 0.22 0.27 1.04 -1.10 -1.53 113.70 114.52 3h8b s SER 85 Ca 0.62 1.72 -0.07 0.00 0.48 0.00 0.00 55.95 58.70 3h8b s SER 85 Cb -0.16 -2.51 0.19 0.00 0.10 0.00 0.00 66.02 63.64 3h8b s SER 85 CO 0.46 -1.64 1.82 -0.08 0.98 0.00 0.00 173.24 174.78 3h8b h GLU 86 N -0.73 1.24 -0.45 4.02 4.57 -0.42 -2.22 114.58 120.58 3h8b h GLU 86 Ca -0.44 -0.18 0.05 0.00 -1.18 0.00 0.00 59.36 57.61 3h8b h GLU 86 Cb 1.22 -0.23 -0.05 0.00 -0.16 0.00 0.00 28.75 29.54 3h8b h GLU 86 CO 0.55 0.94 0.18 1.49 -1.18 0.00 0.00 179.01 180.99 3h8b h GLU 87 N 1.23 0.36 0.00 1.92 4.81 -1.93 -2.68 114.58 118.29 3h8b h GLU 87 Ca 0.30 -0.02 -0.02 0.00 -0.13 0.00 0.00 59.36 59.48 3h8b h GLU 87 Cb 0.11 -0.08 -0.00 0.00 0.63 0.00 0.00 28.75 29.40 3h8b h GLU 87 CO -0.04 0.24 -0.10 0.66 -0.73 0.00 0.00 179.01 179.04 3h8b h SER 88 N 0.37 0.00 -2.03 1.04 4.64 -1.89 -3.38 113.55 112.31 3h8b h SER 88 Ca 0.20 0.00 -0.56 0.00 -0.47 0.00 0.00 61.79 60.96 3h8b h SER 88 Cb 0.17 0.00 -0.39 0.00 -0.31 0.00 0.00 62.40 61.87 3h8b h SER 88 CO -0.18 0.10 -1.06 0.00 -0.87 0.00 0.00 176.83 174.82 3h8b n TYR 89 N -3.13 0.03 -1.42 4.77 4.19 -0.85 -4.99 117.16 115.75 3h8b n TYR 89 Ca 0.03 -3.62 -0.40 0.00 3.31 0.00 0.00 57.90 57.22 3h8b n TYR 89 Cb 0.54 -0.36 0.02 0.00 0.49 0.00 0.00 39.34 40.03 3h8b n TYR 89 CO 0.00 0.00 0.00 -2.30 0.91 0.00 0.00 176.86 175.47 3h8b n PRO 90 N 1.38 0.45 -2.73 2.98 -0.02 -1.03 -4.45 135.00 131.57 3h8b n PRO 90 Ca 0.22 0.17 -0.42 0.00 -2.02 0.00 0.00 63.50 61.45 3h8b n PRO 90 Cb 0.52 -1.48 -0.03 0.00 -0.02 0.00 0.00 33.50 32.49 3h8b n PRO 90 CO 0.00 0.00 0.00 -0.47 1.98 0.00 0.00 175.50 177.01 3h8b s TYR 91 N -1.64 3.49 -0.96 6.00 5.04 -1.26 -4.71 117.35 123.31 3h8b s TYR 91 Ca 0.64 1.52 0.11 0.00 -2.44 0.00 0.00 57.07 56.90 3h8b s TYR 91 Cb -0.54 -3.15 -0.02 0.00 0.35 0.00 0.00 41.96 38.61 3h8b s TYR 91 CO 0.58 -0.23 0.65 0.39 -1.34 0.00 0.00 175.55 175.60 3h8b n GLU 92 N 5.06 2.20 -3.53 4.97 1.02 -1.26 -5.02 120.64 124.09 3h8b n GLU 92 Ca 0.08 -0.56 -0.26 0.00 -0.02 0.00 0.00 57.16 56.40 3h8b n GLU 92 Cb 0.49 -1.10 0.02 0.00 -0.02 0.00 0.00 31.44 30.82 3h8b n GLU 92 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3h8b n ALA 93 N -0.37 -1.14 -3.57 0.62 0.00 -1.26 -4.95 120.51 109.83 3h8b n ALA 93 Ca 0.04 0.19 -0.14 0.00 0.00 0.00 0.00 53.44 53.54 3h8b n ALA 93 Cb 0.23 -3.86 -0.06 0.00 0.00 0.00 0.00 19.45 15.75 3h8b n ALA 93 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.50 177.42 3h8b s THR 94 N -3.15 0.00 0.19 0.00 -1.32 -1.26 -4.64 115.64 105.46 3h8b s THR 94 Ca 0.50 0.00 -0.29 0.00 -1.21 0.00 0.00 61.69 60.69 3h8b s THR 94 Cb -0.25 -1.00 -0.08 0.00 -1.51 0.00 0.00 72.50 69.66 3h8b s THR 94 CO 0.62 0.00 0.92 -0.70 -2.21 0.00 0.00 174.62 173.24 3h8b s GLU 95 N -0.70 4.77 0.35 7.08 2.12 -1.26 -4.95 118.70 126.11 3h8b s GLU 95 Ca -0.04 1.42 0.06 0.00 0.36 0.00 0.00 54.97 56.77 3h8b s GLU 95 Cb -0.02 -3.31 -0.03 0.00 0.26 0.00 0.00 34.13 31.04 3h8b s GLU 95 CO 0.03 0.44 0.23 -1.21 -0.54 0.00 0.00 175.26 174.21 3h8b s GLU 96 N -0.84 1.78 0.65 4.30 0.41 -1.26 -5.09 118.70 118.66 3h8b s GLU 96 Ca 0.42 -2.05 -0.16 0.00 -0.41 0.00 0.00 54.97 52.77 3h8b s GLU 96 Cb -0.25 0.04 -0.00 0.00 -1.78 0.00 0.00 34.13 32.14 3h8b s GLU 96 CO 0.30 -0.59 1.13 -1.54 -0.49 0.00 0.00 175.26 174.08 3h8b s SER 97 N -3.43 5.06 0.13 -0.19 1.04 -1.26 -4.60 113.70 110.44 3h8b s SER 97 Ca 0.35 2.09 -0.31 0.00 0.48 0.00 0.00 55.95 58.56 3h8b s SER 97 Cb 0.03 -2.56 -0.09 0.00 0.10 0.00 0.00 66.02 63.49 3h8b s SER 97 CO 0.23 -1.67 1.55 0.00 0.98 0.00 0.00 173.24 174.33 3h8b n LYS 99 N 4.39 1.23 -1.66 0.00 5.02 -1.26 -5.06 118.16 120.81 3h8b n LYS 99 Ca 0.14 -2.67 -0.46 0.00 -2.02 0.00 0.00 58.31 53.30 3h8b n LYS 99 Cb 0.40 -1.40 -0.03 0.00 -0.02 0.00 0.00 35.03 33.98 3h8b n LYS 99 CO 0.00 0.00 0.00 0.98 -0.52 0.00 0.00 177.40 177.86 3h8b n TYR 100 N -1.14 2.11 -3.92 2.13 9.36 -1.26 -4.97 117.16 119.47 3h8b n TYR 100 Ca 0.15 0.40 -0.29 0.00 3.32 0.00 0.00 57.90 61.48 3h8b n TYR 100 Cb 0.68 -2.47 -0.16 0.00 -0.63 0.00 0.00 39.34 36.76 3h8b n TYR 100 CO 0.00 0.00 0.00 1.21 0.22 0.00 0.00 176.86 178.29 3h8b s ASN 101 N 0.50 3.33 0.47 2.98 3.84 -1.26 -5.02 114.94 119.78 3h8b s ASN 101 Ca 0.73 -0.91 0.26 0.00 0.21 0.00 0.00 52.86 53.15 3h8b s ASN 101 Cb -0.69 -1.05 1.31 0.00 -0.55 0.00 0.00 41.25 40.27 3h8b s ASN 101 CO 0.46 -0.20 1.80 -0.65 -2.79 0.00 0.00 177.10 175.71 3h8b h PRO 102 N 8.04 0.20 -0.31 0.43 0.11 -1.99 -1.24 132.00 137.24 3h8b h PRO 102 Ca -0.22 -0.01 0.05 0.00 0.11 0.00 0.00 66.00 65.92 3h8b h PRO 102 Cb 1.09 -0.04 -0.02 0.00 0.11 0.00 0.00 31.00 32.14 3h8b h PRO 102 CO 0.42 0.13 0.21 -0.22 -0.21 0.00 0.00 178.00 178.33 3h8b h LYS 103 N 0.20 0.20 -0.58 1.05 3.64 -2.02 -2.62 116.57 116.46 3h8b h LYS 103 Ca 0.56 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.93 3h8b h LYS 103 Cb 1.79 -0.05 0.00 0.00 -0.41 0.00 0.00 32.23 33.56 3h8b h LYS 103 CO -0.15 0.13 0.00 0.66 -2.27 0.00 0.00 179.45 177.82 3h8b n TYR 104 N -4.48 1.13 -2.18 1.91 4.01 -0.47 -4.98 117.16 112.09 3h8b n TYR 104 Ca 0.03 -0.59 -0.41 0.00 -0.16 0.00 0.00 57.90 56.77 3h8b n TYR 104 Cb 0.23 -0.15 -0.03 0.00 -0.31 0.00 0.00 39.34 39.08 3h8b n TYR 104 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 3h8b s SER 105 N -1.04 6.86 0.00 7.72 0.15 -0.99 -2.70 113.70 123.69 3h8b s SER 105 Ca 0.45 2.51 0.00 0.00 0.70 0.00 0.00 55.95 59.60 3h8b s SER 105 Cb 0.27 -2.62 0.00 0.00 -1.71 0.00 0.00 66.02 61.96 3h8b s SER 105 CO 0.24 -0.52 0.36 1.33 1.20 0.00 0.00 173.24 175.84 3h8b n VAL 106 N 1.96 0.13 -3.99 4.45 0.24 -0.50 -4.92 118.33 115.69 3h8b n VAL 106 Ca 0.04 -0.27 -0.08 0.00 -2.04 0.00 0.00 64.34 61.99 3h8b n VAL 106 Cb 0.42 1.34 -0.09 0.00 -1.47 0.00 0.00 33.84 34.04 3h8b n VAL 106 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3h8b s ALA 107 N -0.13 0.20 0.13 2.33 0.00 -1.20 -5.02 121.76 118.08 3h8b s ALA 107 Ca 0.00 -0.91 -0.21 0.00 0.00 0.00 0.00 51.96 50.84 3h8b s ALA 107 Cb 0.00 0.32 0.06 0.00 0.00 0.00 0.00 23.12 23.50 3h8b s ALA 107 CO 0.00 -0.39 0.52 1.21 0.00 0.00 0.00 175.76 177.10 3h8b s ASN 108 N -2.71 -0.44 0.09 0.00 3.04 -1.26 -2.44 114.94 111.22 3h8b s ASN 108 Ca 0.04 -0.08 -0.12 0.00 0.04 0.00 0.00 52.86 52.74 3h8b s ASN 108 Cb 0.05 0.54 0.01 0.00 -1.54 0.00 0.00 41.25 40.31 3h8b s ASN 108 CO -0.09 -0.90 0.27 1.51 -3.04 0.00 0.00 177.10 174.85 3h8b s ASP 109 N -2.67 -0.02 -0.43 -4.21 1.47 -1.26 -4.78 116.67 104.78 3h8b s ASP 109 Ca 0.01 -0.49 0.05 0.00 1.18 0.00 0.00 52.55 53.30 3h8b s ASP 109 Cb 0.00 0.38 0.43 0.00 -0.34 0.00 0.00 42.92 43.40 3h8b s ASP 109 CO -0.11 -0.75 1.30 1.07 0.68 0.00 0.00 175.17 177.36 3h8b n THR 110 N -0.01 2.65 0.00 2.11 5.66 0.47 -3.97 114.28 121.19 3h8b n THR 110 Ca -0.16 -4.40 0.00 0.00 -3.05 0.00 0.00 64.05 56.44 3h8b n THR 110 Cb 0.62 -1.20 0.00 0.00 -1.55 0.00 0.00 70.33 68.20 3h8b n THR 110 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 3h8b n GLY 111 N -0.62 -0.78 3.56 1.09 0.00 -1.26 -4.79 105.19 102.38 3h8b n GLY 111 Ca 0.44 -2.14 -0.10 0.00 0.00 0.00 0.00 46.02 44.23 3h8b n GLY 111 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3h8b s PHE 112 N 0.00 0.47 -0.11 1.61 -0.71 -1.26 -1.03 117.98 116.96 3h8b s PHE 112 Ca 0.00 -0.82 0.01 0.00 -1.04 0.00 0.00 56.93 55.08 3h8b s PHE 112 Cb 0.00 0.13 0.02 0.00 -1.21 0.00 0.00 43.02 41.96 3h8b s PHE 112 CO 0.00 -0.99 -0.13 0.08 -1.34 0.00 0.00 175.22 172.83 3h8b s VAL 113 N -3.91 1.37 -0.27 -2.49 1.01 0.20 -4.84 120.40 111.47 3h8b s VAL 113 Ca 0.24 -0.56 -0.15 0.00 0.00 0.00 0.00 61.98 61.52 3h8b s VAL 113 Cb -0.00 -1.27 -0.04 0.00 0.00 0.00 0.00 36.38 35.07 3h8b s VAL 113 CO 0.10 0.42 0.36 -1.81 0.00 0.00 0.00 175.10 174.17 3h8b s ASP 114 N 1.09 6.24 0.36 3.32 1.01 -1.26 -2.09 116.67 125.33 3h8b s ASP 114 Ca -0.05 0.27 -0.26 0.00 0.71 0.00 0.00 52.55 53.22 3h8b s ASP 114 Cb -0.14 -2.20 -0.09 0.00 1.01 0.00 0.00 42.92 41.49 3h8b s ASP 114 CO -0.02 -0.17 1.08 -0.63 0.21 0.00 0.00 175.17 175.63 3h8b s ILE 115 N 2.02 3.58 0.62 0.77 1.01 -0.25 -5.00 121.20 123.95 3h8b s ILE 115 Ca 0.14 1.34 -0.18 0.00 0.00 0.00 0.00 60.65 61.96 3h8b s ILE 115 Cb -0.16 -3.76 -0.04 0.00 0.01 0.00 0.00 42.46 38.52 3h8b s ILE 115 CO 0.10 0.14 1.01 -2.65 0.00 0.00 0.00 174.94 173.54 3h8b n PRO 116 N 0.36 0.88 -1.32 2.79 -0.02 -1.26 -4.64 135.00 131.78 3h8b n PRO 116 Ca 0.03 0.35 -0.38 0.00 -2.02 0.00 0.00 63.50 61.47 3h8b n PRO 116 Cb 0.48 -2.23 -0.03 0.00 -0.02 0.00 0.00 33.50 31.70 3h8b n PRO 116 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 3h8b n LYS 117 N -1.26 3.53 -3.80 -0.52 5.02 -1.26 -4.60 118.16 115.27 3h8b n LYS 117 Ca 0.14 -2.20 -0.13 0.00 -2.02 0.00 0.00 58.31 54.10 3h8b n LYS 117 Cb 0.48 -2.83 -0.14 0.00 -0.02 0.00 0.00 35.03 32.52 3h8b n LYS 117 CO 0.00 0.00 0.00 -0.65 -0.52 0.00 0.00 177.40 176.23 3h8b s GLN 118 N 2.35 0.10 0.54 1.97 1.11 -1.26 -4.81 119.66 119.67 3h8b s GLN 118 Ca 0.66 0.22 0.27 0.00 0.01 0.00 0.00 55.36 56.52 3h8b s GLN 118 Cb 0.17 -0.04 1.43 0.00 -1.01 0.00 0.00 33.01 33.57 3h8b s GLN 118 CO -0.06 -0.07 1.98 0.93 0.01 0.00 0.00 175.29 178.08 3h8b h GLU 119 N 6.47 0.00 -0.16 2.91 5.08 -1.89 -0.34 114.58 126.66 3h8b h GLU 119 Ca -0.32 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.04 3h8b h GLU 119 Cb 1.18 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.42 3h8b h GLU 119 CO 0.44 0.00 0.08 -0.22 -1.00 0.00 0.00 179.01 178.31 3h8b h LYS 120 N 0.00 0.22 -0.38 2.33 3.11 -1.95 0.14 116.57 120.04 3h8b h LYS 120 Ca 0.26 -0.03 -0.12 0.00 -2.81 0.00 0.00 60.65 57.95 3h8b h LYS 120 Cb 1.08 -0.04 -0.01 0.00 -1.00 0.00 0.00 32.23 32.26 3h8b h LYS 120 CO -0.00 0.24 -0.23 0.00 -2.81 0.00 0.00 179.45 176.64 3h8b h ALA 121 N 0.97 0.87 -0.72 5.00 0.00 -1.40 -1.69 119.26 122.30 3h8b h ALA 121 Ca 0.06 -0.38 -0.06 0.00 0.00 0.00 0.00 54.91 54.53 3h8b h ALA 121 Cb 0.08 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.69 3h8b h ALA 121 CO -0.01 0.63 0.20 1.25 0.00 0.00 0.00 179.25 181.32 3h8b h LEU 122 N 0.67 1.07 -0.48 0.00 5.85 -1.03 0.40 115.31 121.79 3h8b h LEU 122 Ca 0.09 -0.22 -0.01 0.00 0.84 0.00 0.00 57.88 58.58 3h8b h LEU 122 Cb 0.75 -0.28 -0.02 0.00 0.37 0.00 0.00 40.66 41.47 3h8b h LEU 122 CO 0.06 1.01 0.27 -0.03 -0.34 0.00 0.00 178.44 179.41 3h8b h MET 123 N 1.08 0.66 -0.67 1.25 4.05 -0.44 0.19 114.93 121.06 3h8b h MET 123 Ca 0.23 -0.07 -0.03 0.00 -0.28 0.00 0.00 59.70 59.54 3h8b h MET 123 Cb 0.35 -0.13 -0.03 0.00 -0.80 0.00 0.00 31.60 30.98 3h8b h MET 123 CO -0.00 0.52 0.30 0.87 0.23 0.00 0.00 176.91 178.82 3h8b h LYS 124 N 0.63 0.98 -0.29 0.39 1.57 -0.91 -0.41 116.57 118.53 3h8b h LYS 124 Ca 0.17 -0.16 -0.01 0.00 -1.87 0.00 0.00 60.65 58.78 3h8b h LYS 124 Cb 0.04 -0.17 -0.01 0.00 0.08 0.00 0.00 32.23 32.17 3h8b h LYS 124 CO -0.03 0.79 0.14 0.00 -0.57 0.00 0.00 179.45 179.79 3h8b h ALA 125 N 1.13 0.37 -0.83 3.86 0.00 -0.47 -1.31 119.26 122.02 3h8b h ALA 125 Ca 0.23 -0.09 -0.03 0.00 0.00 0.00 0.00 54.91 55.02 3h8b h ALA 125 Cb 0.16 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 17.80 3h8b h ALA 125 CO -0.02 -0.07 0.41 0.28 0.00 0.00 0.00 179.25 179.85 3h8b h VAL 126 N 0.33 1.25 -0.19 0.00 2.07 -0.35 0.15 116.25 119.52 3h8b h VAL 126 Ca 0.10 -0.68 -0.09 0.00 0.82 0.00 0.00 66.70 66.84 3h8b h VAL 126 Cb 0.12 0.18 -0.01 0.00 -1.52 0.00 0.00 31.29 30.05 3h8b h VAL 126 CO -0.01 0.30 -0.29 0.00 0.02 0.00 0.00 177.57 177.59 3h8b h ALA 127 N 1.28 1.16 0.00 1.67 0.00 -0.77 -3.31 119.26 119.30 3h8b h ALA 127 Ca 0.29 -0.35 0.00 0.00 0.00 0.00 0.00 54.91 54.85 3h8b h ALA 127 Cb 0.09 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.77 3h8b h ALA 127 CO -0.04 0.54 -1.13 0.25 0.00 0.00 0.00 179.25 178.87 3h8b n THR 128 N -4.11 0.00 -0.12 0.00 -2.24 -0.52 -4.81 114.28 102.48 3h8b n THR 128 Ca -0.01 -0.25 -0.25 0.00 -2.27 0.00 0.00 64.05 61.28 3h8b n THR 128 Cb 0.41 0.52 -0.09 0.00 -2.10 0.00 0.00 70.33 69.07 3h8b n THR 128 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02 3h8b n VAL 129 N -1.65 1.31 0.00 2.28 0.31 0.51 -5.08 118.33 116.01 3h8b n VAL 129 Ca -0.01 -0.35 0.00 0.00 -0.01 0.00 0.00 64.34 63.97 3h8b n VAL 129 Cb 0.23 -1.76 0.00 0.00 -0.91 0.00 0.00 33.84 31.40 3h8b n VAL 129 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3h8b n GLY 130 N 1.61 0.92 3.76 2.92 0.00 -1.24 -4.91 105.19 108.25 3h8b n GLY 130 Ca -0.46 -1.93 -0.41 0.00 0.00 0.00 0.00 46.02 43.21 3h8b n GLY 130 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3h8b s PRO 131 N -1.75 4.14 -0.06 1.61 0.02 -1.26 -4.49 135.00 133.21 3h8b s PRO 131 Ca 0.00 2.54 0.03 0.00 0.02 0.00 0.00 61.00 63.59 3h8b s PRO 131 Cb 0.00 -3.01 -0.02 0.00 0.02 0.00 0.00 34.50 31.49 3h8b s PRO 131 CO 0.00 -0.55 -0.16 0.42 -0.33 0.00 0.00 177.00 176.38 3h8b s ILE 132 N -0.52 2.91 0.19 2.83 1.09 -0.45 -4.71 121.20 122.54 3h8b s ILE 132 Ca 0.58 -0.76 -0.30 0.00 -1.10 0.00 0.00 60.65 59.06 3h8b s ILE 132 Cb -0.46 -2.14 -0.08 0.00 -1.06 0.00 0.00 42.46 38.72 3h8b s ILE 132 CO 0.54 0.58 1.01 -0.44 -0.10 0.00 0.00 174.94 176.52 3h8b s SER 133 N -0.48 7.46 0.11 3.58 0.01 -0.20 -0.92 113.70 123.26 3h8b s SER 133 Ca 0.06 1.97 -0.05 0.00 1.31 0.00 0.00 55.95 59.24 3h8b s SER 133 Cb -0.12 -2.60 -0.02 0.00 0.21 0.00 0.00 66.02 63.49 3h8b s SER 133 CO 0.02 -0.04 0.14 0.68 0.41 0.00 0.00 173.24 174.44 3h8b s VAL 134 N -0.56 0.13 0.01 3.43 -7.23 -0.74 -0.95 120.40 114.49 3h8b s VAL 134 Ca 0.45 -1.55 0.08 0.00 -1.81 0.00 0.00 61.98 59.16 3h8b s VAL 134 Cb -0.27 -1.69 -0.02 0.00 0.56 0.00 0.00 36.38 34.96 3h8b s VAL 134 CO 0.33 -0.58 -0.25 0.00 -0.31 0.00 0.00 175.10 174.29 3h8b s ALA 135 N -3.95 2.12 0.16 1.32 0.00 -1.23 -0.72 121.76 119.45 3h8b s ALA 135 Ca 0.13 -1.15 0.03 0.00 0.00 0.00 0.00 51.96 50.97 3h8b s ALA 135 Cb 0.06 -0.49 -0.05 0.00 0.00 0.00 0.00 23.12 22.64 3h8b s ALA 135 CO -0.05 0.51 -0.04 0.42 0.00 0.00 0.00 175.76 176.60 3h8b s ILE 136 N -0.69 0.87 -0.73 0.00 1.01 0.09 -3.99 121.20 117.77 3h8b s ILE 136 Ca 0.10 -2.00 -0.26 0.00 0.00 0.00 0.00 60.65 58.49 3h8b s ILE 136 Cb -0.10 -1.97 0.04 0.00 0.01 0.00 0.00 42.46 40.44 3h8b s ILE 136 CO 0.00 -0.62 1.23 -0.62 0.00 0.00 0.00 174.94 174.93 3h8b s ASP 137 N -3.16 6.17 -0.23 3.58 2.15 -0.61 -1.40 116.67 123.17 3h8b s ASP 137 Ca 0.20 -0.56 0.15 0.00 0.43 0.00 0.00 52.55 52.76 3h8b s ASP 137 Cb 0.05 -2.53 0.71 0.00 -0.30 0.00 0.00 42.92 40.84 3h8b s ASP 137 CO 0.02 -1.76 1.64 0.00 -0.17 0.00 0.00 175.17 174.89 3h8b n ALA 138 N 9.07 3.65 0.73 3.66 0.00 -1.26 -4.76 120.51 131.60 3h8b n ALA 138 Ca 0.02 -2.13 0.00 0.00 0.00 0.00 0.00 53.44 51.33 3h8b n ALA 138 Cb 0.48 -0.98 0.00 0.00 0.00 0.00 0.00 19.45 18.95 3h8b n ALA 138 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3h8b n GLY 139 N 0.12 1.32 3.11 0.00 0.00 -1.26 -4.78 105.19 103.69 3h8b n GLY 139 Ca 0.27 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 46.13 3h8b n GLY 139 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3h8b s HIS 140 N -0.23 0.92 0.51 1.61 3.76 -1.26 -5.02 115.29 115.58 3h8b s HIS 140 Ca 0.00 -0.45 0.27 0.00 -0.15 0.00 0.00 55.06 54.73 3h8b s HIS 140 Cb 0.00 -0.53 1.59 0.00 1.11 0.00 0.00 32.58 34.75 3h8b s HIS 140 CO 0.00 -0.02 2.16 1.05 -0.85 0.00 0.00 174.74 177.09 3h8b h GLU 141 N 4.54 0.00 -0.07 1.40 4.11 -2.00 -0.65 114.58 121.91 3h8b h GLU 141 Ca -0.37 0.00 -0.00 0.00 0.07 0.00 0.00 59.36 59.05 3h8b h GLU 141 Cb 1.20 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.44 3h8b h GLU 141 CO 0.41 0.06 0.04 0.66 0.07 0.00 0.00 179.01 180.25 3h8b h SER 142 N 0.00 0.08 0.24 3.06 4.64 -1.95 -0.45 113.55 119.17 3h8b h SER 142 Ca -0.00 -0.00 -0.25 0.00 -0.47 0.00 0.00 61.79 61.06 3h8b h SER 142 Cb 0.15 -0.02 0.01 0.00 -0.31 0.00 0.00 62.40 62.24 3h8b h SER 142 CO 0.01 0.07 -1.05 0.15 -0.87 0.00 0.00 176.83 175.13 3h8b h PHE 143 N 0.10 0.78 -0.56 4.77 3.57 -1.44 -2.49 116.94 121.67 3h8b h PHE 143 Ca 0.03 -0.45 -0.05 0.00 3.53 0.00 0.00 57.97 61.03 3h8b h PHE 143 Cb 0.01 -0.08 -0.03 0.00 2.79 0.00 0.00 35.95 38.64 3h8b h PHE 143 CO 0.00 1.29 0.16 1.25 -2.23 0.00 0.00 178.31 178.78 3h8b h LEU 144 N 0.27 0.78 -1.93 0.59 5.85 -1.10 -2.83 115.31 116.93 3h8b h LEU 144 Ca -0.12 -0.13 0.00 0.00 0.84 0.00 0.00 57.88 58.47 3h8b h LEU 144 Cb 1.71 -0.20 0.00 0.00 0.37 0.00 0.00 40.66 42.53 3h8b h LEU 144 CO 0.19 0.75 0.00 0.49 -0.34 0.00 0.00 178.44 179.53 3h8b n PHE 145 N -4.29 0.58 -1.68 1.25 3.72 -0.28 -4.90 117.46 111.86 3h8b n PHE 145 Ca 0.04 -0.29 -0.44 0.00 -0.05 0.00 0.00 57.45 56.71 3h8b n PHE 145 Cb 0.21 0.00 -0.02 0.00 -0.94 0.00 0.00 39.48 38.73 3h8b n PHE 145 CO 0.00 0.00 0.00 0.98 -0.05 0.00 0.00 176.76 177.69 3h8b n TYR 146 N 1.07 2.22 0.00 1.38 9.36 -0.94 -4.92 117.16 125.33 3h8b n TYR 146 Ca 0.18 0.43 0.00 0.00 3.32 0.00 0.00 57.90 61.83 3h8b n TYR 146 Cb 0.48 -2.47 0.00 0.00 -0.63 0.00 0.00 39.34 36.72 3h8b n TYR 146 CO 0.00 0.00 0.00 1.63 0.22 0.00 0.00 176.86 178.71 3h8b n LYS 147 N 1.89 0.00 -3.68 2.98 5.02 -1.26 -2.06 118.16 121.05 3h8b n LYS 147 Ca 0.11 0.00 -0.08 0.00 -2.02 0.00 0.00 58.31 56.32 3h8b n LYS 147 Cb 0.32 -0.48 -0.02 0.00 -0.02 0.00 0.00 35.03 34.83 3h8b n LYS 147 CO 0.00 0.00 0.00 -1.83 -0.52 0.00 0.00 177.40 175.05 3h8b s GLU 148 N -1.99 1.40 0.20 1.97 4.04 -1.26 -2.65 118.70 120.41 3h8b s GLU 148 Ca 0.00 -0.70 0.00 0.00 0.04 0.00 0.00 54.97 54.31 3h8b s GLU 148 Cb 0.00 0.53 0.00 0.00 0.02 0.00 0.00 34.13 34.68 3h8b s GLU 148 CO 0.00 -0.63 0.00 0.41 -1.84 0.00 0.00 175.26 173.20 3h8b n GLY 149 N -0.41 -2.57 3.61 -3.83 0.00 -1.26 -4.87 105.19 95.87 3h8b n GLY 149 Ca -0.08 -1.88 -0.41 0.00 0.00 0.00 0.00 46.02 43.64 3h8b n GLY 149 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3h8b s ILE 150 N -0.40 4.86 -0.12 -0.61 1.09 -1.26 -4.07 121.20 120.69 3h8b s ILE 150 Ca 0.00 1.14 -0.29 0.00 -1.10 0.00 0.00 60.65 60.39 3h8b s ILE 150 Cb 0.00 -4.08 -0.02 0.00 -1.06 0.00 0.00 42.46 37.30 3h8b s ILE 150 CO 0.00 -0.17 1.28 -0.47 -0.10 0.00 0.00 174.94 175.48 3h8b s TYR 151 N 2.80 2.88 -0.09 3.97 5.04 0.21 -4.86 117.35 127.30 3h8b s TYR 151 Ca 0.30 1.00 -0.03 0.00 -2.44 0.00 0.00 57.07 55.90 3h8b s TYR 151 Cb -0.15 -3.52 0.04 0.00 0.35 0.00 0.00 41.96 38.69 3h8b s TYR 151 CO 0.11 -1.78 0.07 0.12 -1.34 0.00 0.00 175.55 172.73 3h8b s PHE 152 N 3.15 0.11 -0.33 4.97 5.36 -1.26 -2.06 117.98 127.93 3h8b s PHE 152 Ca 0.57 0.04 -0.03 0.00 -0.96 0.00 0.00 56.93 56.55 3h8b s PHE 152 Cb -0.24 -0.56 0.06 0.00 -0.34 0.00 0.00 43.02 41.94 3h8b s PHE 152 CO 0.18 -0.31 0.05 -2.00 -1.46 0.00 0.00 175.22 171.68 3h8b s GLU 153 N 2.16 2.38 0.60 10.12 2.56 -1.26 -4.97 118.70 130.28 3h8b s GLU 153 Ca 0.04 -1.35 0.29 0.00 0.00 0.00 0.00 54.97 53.95 3h8b s GLU 153 Cb -0.14 -3.30 1.65 0.00 2.00 0.00 0.00 34.13 34.34 3h8b s GLU 153 CO -0.05 -0.71 2.06 -1.35 -0.56 0.00 0.00 175.26 174.65 3h8b h PRO 154 N 8.04 0.00 -0.07 4.30 0.11 -2.05 -0.48 132.00 141.85 3h8b h PRO 154 Ca -0.20 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.91 3h8b h PRO 154 Cb 1.06 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.17 3h8b h PRO 154 CO 0.57 0.00 0.00 -3.47 -0.21 0.00 0.00 178.00 174.89 3h8b n ASP 155 N -3.69 1.32 -4.77 -2.05 2.03 -1.26 -4.93 116.55 103.19 3h8b n ASP 155 Ca 0.02 -1.53 -0.37 0.00 0.52 0.00 0.00 54.79 53.44 3h8b n ASP 155 Cb 0.39 -0.04 -0.01 0.00 -0.72 0.00 0.00 41.12 40.74 3h8b n ASP 155 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3h8b s SER 157 N -1.47 3.76 0.00 0.00 1.04 -1.26 -4.72 113.70 111.05 3h8b s SER 157 Ca 0.66 -0.92 0.16 0.00 0.48 0.00 0.00 55.95 56.33 3h8b s SER 157 Cb -0.27 -0.41 0.43 0.00 0.10 0.00 0.00 66.02 65.87 3h8b s SER 157 CO 0.32 0.05 1.35 -1.54 0.98 0.00 0.00 173.24 174.41 3h8b n SER 158 N -0.50 3.30 -0.02 7.02 3.41 -1.26 -3.17 113.62 122.41 3h8b n SER 158 Ca -0.07 -1.98 -0.00 0.00 -0.26 0.00 0.00 58.87 56.56 3h8b n SER 158 Cb 0.59 -0.32 -0.05 0.00 -0.26 0.00 0.00 64.21 64.17 3h8b n SER 158 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3h8b n GLU 159 N 0.99 1.76 -1.71 4.33 1.02 -1.26 -4.48 120.64 121.29 3h8b n GLU 159 Ca 0.17 -0.03 -0.28 0.00 -0.02 0.00 0.00 57.16 57.00 3h8b n GLU 159 Cb 0.50 -1.15 0.05 0.00 -0.02 0.00 0.00 31.44 30.82 3h8b n GLU 159 CO 0.00 0.00 0.00 -0.40 1.18 0.00 0.00 177.13 177.91 3h8b n ASP 160 N -1.99 5.91 -4.59 1.62 5.68 -1.26 -5.04 116.55 116.87 3h8b n ASP 160 Ca -0.06 -3.77 -0.50 0.00 -0.50 0.00 0.00 54.79 49.96 3h8b n ASP 160 Cb 0.46 -0.60 -0.05 0.00 -1.14 0.00 0.00 41.12 39.79 3h8b n ASP 160 CO 0.00 0.00 0.00 0.23 -1.33 0.00 0.00 177.20 176.10 3h8b n MET 161 N -0.81 1.23 0.00 0.11 2.81 -1.26 -4.76 117.12 114.44 3h8b n MET 161 Ca 0.51 0.44 0.00 0.00 -1.81 0.00 0.00 57.70 56.84 3h8b n MET 161 Cb 0.86 -2.02 0.00 0.00 -0.71 0.00 0.00 33.22 31.34 3h8b n MET 161 CO 0.00 0.00 0.00 -0.40 1.51 0.00 0.00 175.97 177.08 3h8b n ASP 162 N 2.31 0.86 -3.66 7.83 5.75 -0.49 -4.87 116.55 124.27 3h8b n ASP 162 Ca 0.16 -1.37 -0.19 0.00 -0.01 0.00 0.00 54.79 53.39 3h8b n ASP 162 Cb 0.22 0.00 -0.17 0.00 -1.03 0.00 0.00 41.12 40.15 3h8b n ASP 162 CO 0.00 0.00 0.00 -2.28 -0.11 0.00 0.00 177.20 174.81 3h8b s HIS 163 N -0.37 -0.05 0.06 2.11 5.04 -0.60 -4.89 115.29 116.60 3h8b s HIS 163 Ca 0.00 0.40 -0.29 0.00 -1.54 0.00 0.00 55.06 53.63 3h8b s HIS 163 Cb 0.00 -0.39 -0.05 0.00 0.04 0.00 0.00 32.58 32.18 3h8b s HIS 163 CO 0.00 -0.24 0.92 0.20 -2.34 0.00 0.00 174.74 173.27 3h8b s GLY 164 N 2.23 2.92 0.08 1.59 0.00 -1.26 -0.73 107.32 112.14 3h8b s GLY 164 Ca 0.04 0.49 0.01 0.00 0.00 0.00 0.00 44.72 45.26 3h8b s GLY 164 CO -0.05 1.43 0.08 3.33 0.00 0.00 0.00 173.10 177.90 3h8b n VAL 165 N 3.12 0.00 -3.90 1.40 0.24 0.10 -4.65 118.33 114.64 3h8b n VAL 165 Ca 0.02 -0.50 -0.27 0.00 -2.04 0.00 0.00 64.34 61.55 3h8b n VAL 165 Cb 0.50 0.27 -0.17 0.00 -1.47 0.00 0.00 33.84 32.97 3h8b n VAL 165 CO 0.00 0.00 0.00 -0.22 -2.14 0.00 0.00 176.83 174.47 3h8b s LEU 166 N 0.00 1.19 -0.33 1.34 2.96 -0.95 -1.79 118.68 121.09 3h8b s LEU 166 Ca 0.08 -0.31 -0.26 0.00 -0.22 0.00 0.00 54.13 53.42 3h8b s LEU 166 Cb 0.00 -0.84 0.01 0.00 0.50 0.00 0.00 46.19 45.86 3h8b s LEU 166 CO 0.06 -0.12 0.90 -0.69 -1.32 0.00 0.00 176.35 175.18 3h8b s VAL 167 N 1.71 4.66 -1.70 1.68 1.01 -0.10 -0.35 120.40 127.30 3h8b s VAL 167 Ca 0.05 1.31 0.21 0.00 0.00 0.00 0.00 61.98 63.54 3h8b s VAL 167 Cb -0.13 -4.27 -0.05 0.00 0.00 0.00 0.00 36.38 31.93 3h8b s VAL 167 CO -0.08 -0.40 0.99 1.33 0.00 0.00 0.00 175.10 176.93 3h8b n VAL 168 N 5.76 0.00 -3.25 2.92 0.24 0.19 -1.35 118.33 122.85 3h8b n VAL 168 Ca 0.07 -0.23 0.00 0.00 -2.04 0.00 0.00 64.34 62.13 3h8b n VAL 168 Cb 0.48 1.20 0.00 0.00 -1.47 0.00 0.00 33.84 34.04 3h8b n VAL 168 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3h8b n GLY 169 N 1.37 -1.10 3.45 7.63 0.00 -1.16 -0.83 105.19 114.55 3h8b n GLY 169 Ca 0.08 -0.86 -0.12 0.00 0.00 0.00 0.00 46.02 45.11 3h8b n GLY 169 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3h8b s TYR 170 N -3.00 -0.53 0.00 1.61 -0.85 0.19 -0.86 117.35 113.91 3h8b s TYR 170 Ca 0.00 0.42 0.00 0.00 -0.52 0.00 0.00 57.07 56.97 3h8b s TYR 170 Cb 0.00 0.54 0.00 0.00 0.38 0.00 0.00 41.96 42.88 3h8b s TYR 170 CO 0.00 -0.77 0.00 0.41 -1.52 0.00 0.00 175.55 173.67 3h8b n GLY 171 N -0.18 1.39 3.36 5.49 0.00 -0.25 -0.34 105.19 114.66 3h8b n GLY 171 Ca -0.16 -0.71 -0.10 0.00 0.00 0.00 0.00 46.02 45.05 3h8b n GLY 171 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3h8b s PHE 172 N -2.98 0.32 0.36 1.61 -0.71 -1.26 -1.55 117.98 113.77 3h8b s PHE 172 Ca 0.00 -0.69 0.08 0.00 -1.04 0.00 0.00 56.93 55.29 3h8b s PHE 172 Cb 0.00 0.00 -0.05 0.00 -1.21 0.00 0.00 43.02 41.76 3h8b s PHE 172 CO 0.00 -0.74 0.09 -1.21 -1.34 0.00 0.00 175.22 172.01 3h8b s GLU 173 N -3.95 2.19 -0.78 1.99 2.02 -1.26 -5.00 118.70 113.91 3h8b s GLU 173 Ca 0.16 -1.73 -0.04 0.00 0.02 0.00 0.00 54.97 53.38 3h8b s GLU 173 Cb 0.03 -2.00 0.12 0.00 0.10 0.00 0.00 34.13 32.38 3h8b s GLU 173 CO -0.01 0.06 2.54 0.43 0.02 0.00 0.00 175.26 178.31 3h8b n SER 174 N -1.07 7.08 0.00 -0.19 7.64 -1.26 -4.94 113.62 120.88 3h8b n SER 174 Ca -0.03 -3.27 0.00 0.00 1.01 0.00 0.00 58.87 56.58 3h8b n SER 174 Cb 0.63 -1.25 0.00 0.00 -1.01 0.00 0.00 64.21 62.57 3h8b n SER 174 CO 0.00 0.00 0.00 -0.46 -3.01 0.00 0.00 175.04 171.57 3h8b n ASN 180 N 0.95 0.00 -4.89 6.43 6.94 -1.26 -5.31 115.26 118.12 3h8b n ASN 180 Ca 0.53 0.00 -0.32 0.00 -0.02 0.00 0.00 54.58 54.77 3h8b n ASN 180 Cb 0.42 0.00 -0.05 0.00 -2.36 0.00 0.00 39.78 37.79 3h8b n ASN 180 CO 0.00 0.00 0.00 -0.54 -1.03 0.00 0.00 177.26 175.69 3h8b s LYS 181 N 0.00 3.69 0.12 -3.83 1.02 -1.26 -4.37 119.74 115.11 3h8b s LYS 181 Ca 0.00 0.05 -0.17 0.00 0.02 0.00 0.00 55.97 55.87 3h8b s LYS 181 Cb 0.00 -2.80 0.04 0.00 -0.52 0.00 0.00 37.83 34.55 3h8b s LYS 181 CO 0.00 0.43 0.43 1.52 -0.92 0.00 0.00 175.35 176.81 3h8b s TYR 182 N -1.69 -0.26 -0.08 3.18 -0.85 -0.60 -1.78 117.35 115.28 3h8b s TYR 182 Ca 0.42 -0.02 -0.13 0.00 -0.52 0.00 0.00 57.07 56.83 3h8b s TYR 182 Cb -0.12 0.30 -0.05 0.00 0.38 0.00 0.00 41.96 42.47 3h8b s TYR 182 CO 0.23 -0.71 0.31 -1.58 -1.52 0.00 0.00 175.55 172.27 3h8b s TRP 183 N -3.69 3.61 -0.41 -3.49 0.52 0.15 -1.09 118.94 114.53 3h8b s TRP 183 Ca 0.02 0.76 -0.22 0.00 0.02 0.00 0.00 56.10 56.68 3h8b s TRP 183 Cb 0.01 -2.22 0.02 0.00 -1.15 0.00 0.00 33.47 30.13 3h8b s TRP 183 CO -0.11 0.54 0.72 -1.17 0.02 0.00 0.00 176.95 176.95 3h8b s LEU 184 N -0.57 4.29 -0.12 2.99 0.20 -0.04 -1.12 118.68 124.30 3h8b s LEU 184 Ca 0.19 -0.03 0.01 0.00 0.69 0.00 0.00 54.13 54.99 3h8b s LEU 184 Cb -0.14 -2.88 -0.01 0.00 -0.43 0.00 0.00 46.19 42.72 3h8b s LEU 184 CO 0.08 -0.79 -0.15 -0.69 -0.29 0.00 0.00 176.35 174.51 3h8b s VAL 185 N 3.04 2.87 -0.23 1.68 1.01 -0.40 -0.63 120.40 127.72 3h8b s VAL 185 Ca 0.27 -0.73 -0.15 0.00 0.00 0.00 0.00 61.98 61.37 3h8b s VAL 185 Cb -0.13 -2.18 -0.04 0.00 0.00 0.00 0.00 36.38 34.03 3h8b s VAL 185 CO 0.19 0.54 0.38 -0.75 0.00 0.00 0.00 175.10 175.46 3h8b s LYS 186 N 0.27 4.10 0.53 2.72 2.20 0.53 -1.05 119.74 129.03 3h8b s LYS 186 Ca -0.11 0.12 0.06 0.00 -0.36 0.00 0.00 55.97 55.69 3h8b s LYS 186 Cb -0.16 -3.59 0.06 0.00 -1.51 0.00 0.00 37.83 32.63 3h8b s LYS 186 CO 0.06 -0.15 0.74 1.21 -0.36 0.00 0.00 175.35 176.84 3h8b s ASN 187 N 1.31 5.23 -0.29 1.43 2.47 -0.76 -2.25 114.94 122.08 3h8b s ASN 187 Ca 0.17 -0.50 0.09 0.00 0.42 0.00 0.00 52.86 53.04 3h8b s ASN 187 Cb -0.15 -0.27 0.47 0.00 -1.45 0.00 0.00 41.25 39.85 3h8b s ASN 187 CO 0.09 -1.17 1.17 -1.54 -3.72 0.00 0.00 177.10 171.92 3h8b n SER 188 N -2.20 4.36 -0.91 -4.21 3.41 -1.26 -4.51 113.62 108.30 3h8b n SER 188 Ca 0.12 -3.47 0.03 0.00 -0.26 0.00 0.00 58.87 55.29 3h8b n SER 188 Cb 0.60 -0.37 0.22 0.00 -0.26 0.00 0.00 64.21 64.40 3h8b n SER 188 CO 0.00 0.00 0.00 0.79 -0.16 0.00 0.00 175.04 175.67 3h8b n TRP 189 N -0.67 0.88 0.00 7.33 8.01 -1.17 -0.51 117.44 131.31 3h8b n TRP 189 Ca 0.38 -1.23 0.00 0.00 -1.31 0.00 0.00 57.50 55.33 3h8b n TRP 189 Cb 0.92 -0.37 0.00 0.00 -2.01 0.00 0.00 31.31 29.85 3h8b n TRP 189 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 3h8b n GLY 190 N -0.91 -1.66 0.24 6.99 0.00 -0.09 -4.38 105.19 105.38 3h8b n GLY 190 Ca 0.26 -1.53 0.14 0.00 0.00 0.00 0.00 46.02 44.89 3h8b n GLY 190 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 3h8b n GLU 191 N -1.98 0.93 0.00 1.61 0.28 -1.26 -3.53 120.64 116.69 3h8b n GLU 191 Ca 0.00 -0.48 0.15 0.00 -0.16 0.00 0.00 57.16 56.68 3h8b n GLU 191 Cb 0.00 -1.49 0.84 0.00 1.43 0.00 0.00 31.44 32.22 3h8b n GLU 191 CO 0.00 0.00 0.00 0.39 -0.16 0.00 0.00 177.13 177.36 3h8b n GLU 192 N -0.62 0.83 -4.21 3.44 -0.58 -1.26 -3.53 120.64 114.71 3h8b n GLU 192 Ca 0.14 -0.07 -0.35 0.00 -0.42 0.00 0.00 57.16 56.46 3h8b n GLU 192 Cb 0.32 -1.50 -0.08 0.00 -0.57 0.00 0.00 31.44 29.61 3h8b n GLU 192 CO 0.00 0.00 0.00 -0.46 -0.48 0.00 0.00 177.13 176.19 3h8b s TRP 193 N -2.21 3.29 0.00 -0.32 -0.00 -1.23 -4.98 118.94 113.49 3h8b s TRP 193 Ca 0.40 0.29 0.00 0.00 -0.00 0.00 0.00 56.10 56.79 3h8b s TRP 193 Cb 0.21 -1.82 0.00 0.00 -0.00 0.00 0.00 33.47 31.86 3h8b s TRP 193 CO 0.41 0.55 0.00 0.41 -0.00 0.00 0.00 176.95 178.32 3h8b n GLY 194 N 2.00 2.47 3.43 5.86 0.00 -0.87 -0.60 105.19 117.48 3h8b n GLY 194 Ca -0.18 -0.34 -0.44 0.00 0.00 0.00 0.00 46.02 45.05 3h8b n GLY 194 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3h8b s MET 195 N 0.00 3.90 -1.87 1.61 -1.94 0.23 -4.41 119.30 116.82 3h8b s MET 195 Ca 0.00 -2.38 0.00 0.00 -1.71 0.00 0.00 55.69 51.60 3h8b s MET 195 Cb 0.00 -4.89 0.00 0.00 2.01 0.00 0.00 34.83 31.95 3h8b s MET 195 CO 0.00 -1.66 0.00 0.41 -0.01 0.00 0.00 175.02 173.76 3h8b n GLY 196 N 4.38 0.66 0.00 -0.03 0.00 -1.24 -1.40 105.19 107.55 3h8b n GLY 196 Ca 0.29 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.31 3h8b n GLY 196 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3h8b n GLY 197 N -0.68 0.72 3.88 -0.02 0.00 0.23 -4.46 105.19 104.86 3h8b n GLY 197 Ca -0.21 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.59 3h8b n GLY 197 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3h8b s TYR 198 N -2.04 3.16 -0.06 1.61 1.51 -0.49 -1.82 117.35 119.22 3h8b s TYR 198 Ca 0.00 -0.13 -0.04 0.00 -1.01 0.00 0.00 57.07 55.89 3h8b s TYR 198 Cb 0.00 -1.55 0.02 0.00 -0.11 0.00 0.00 41.96 40.32 3h8b s TYR 198 CO 0.00 0.41 0.14 0.54 -1.11 0.00 0.00 175.55 175.53 3h8b s VAL 199 N -2.13 -0.02 -0.46 0.71 0.11 -0.22 -0.60 120.40 117.80 3h8b s VAL 199 Ca 0.35 0.07 -0.20 0.00 -2.93 0.00 0.00 61.98 59.28 3h8b s VAL 199 Cb -0.08 -0.21 0.03 0.00 -1.53 0.00 0.00 36.38 34.59 3h8b s VAL 199 CO 0.27 0.03 0.61 -0.54 -3.33 0.00 0.00 175.10 172.14 3h8b s LYS 200 N 0.50 3.20 -0.11 1.54 1.02 -1.26 -1.28 119.74 123.35 3h8b s LYS 200 Ca -0.04 -0.58 -0.07 0.00 0.02 0.00 0.00 55.97 55.30 3h8b s LYS 200 Cb -0.05 -4.00 -0.04 0.00 -0.52 0.00 0.00 37.83 33.22 3h8b s LYS 200 CO -0.02 -1.06 0.15 -1.64 -0.92 0.00 0.00 175.35 171.86 3h8b s MET 201 N 2.68 3.46 -0.21 1.68 -1.94 -0.28 0.66 119.30 125.35 3h8b s MET 201 Ca 0.19 -0.11 -0.41 0.00 -1.71 0.00 0.00 55.69 53.65 3h8b s MET 201 Cb -0.16 -3.19 -0.18 0.00 2.01 0.00 0.00 34.83 33.31 3h8b s MET 201 CO 0.16 0.78 1.51 0.00 -0.01 0.00 0.00 175.02 177.46 3h8b n ALA 202 N 1.97 -1.22 -2.54 3.03 0.00 -0.87 0.30 120.51 121.18 3h8b n ALA 202 Ca -0.20 0.48 -0.33 0.00 0.00 0.00 0.00 53.44 53.39 3h8b n ALA 202 Cb 0.55 -2.04 -0.12 0.00 0.00 0.00 0.00 19.45 17.84 3h8b n ALA 202 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 3h8b s LYS 203 N 2.18 2.63 -1.13 0.00 2.20 -0.73 -4.53 119.74 120.36 3h8b s LYS 203 Ca 0.96 -0.63 -0.07 0.00 -0.36 0.00 0.00 55.97 55.87 3h8b s LYS 203 Cb -1.19 -2.47 0.01 0.00 -1.51 0.00 0.00 37.83 32.66 3h8b s LYS 203 CO 0.64 0.63 0.93 -0.25 -0.36 0.00 0.00 175.35 176.94 3h8b n ASP 204 N 2.31 -5.59 -2.51 1.43 8.00 -1.26 -4.62 116.55 114.32 3h8b n ASP 204 Ca -0.17 -0.42 -0.24 0.00 0.71 0.00 0.00 54.79 54.66 3h8b n ASP 204 Cb 0.52 -4.22 0.00 0.00 -0.02 0.00 0.00 41.12 37.41 3h8b n ASP 204 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 3h8b n ARG 205 N -4.13 3.08 -2.96 -1.24 5.12 -1.26 -4.91 116.66 110.36 3h8b n ARG 205 Ca -0.00 -4.31 -0.12 0.00 -1.93 0.00 0.00 57.85 51.49 3h8b n ARG 205 Cb 0.55 -2.10 0.06 0.00 -1.16 0.00 0.00 32.46 29.82 3h8b n ARG 205 CO 0.00 0.00 0.00 0.54 -1.93 0.00 0.00 177.63 176.24 3h8b n ARG 206 N -0.42 -4.39 -3.74 5.56 1.74 -1.26 -3.59 116.66 110.56 3h8b n ARG 206 Ca 0.34 0.58 -0.27 0.00 -0.77 0.00 0.00 57.85 57.73 3h8b n ARG 206 Cb 0.69 -4.78 0.02 0.00 -1.02 0.00 0.00 32.46 27.37 3h8b n ARG 206 CO 0.00 0.00 0.00 -1.71 -1.52 0.00 0.00 177.63 174.40 3h8b n ASN 207 N -2.46 -3.12 -4.68 0.55 5.15 -1.26 -4.79 115.26 104.65 3h8b n ASN 207 Ca -0.19 -0.96 -0.51 0.00 -0.60 0.00 0.00 54.58 52.32 3h8b n ASN 207 Cb 0.61 -3.51 -0.05 0.00 -0.53 0.00 0.00 39.78 36.30 3h8b n ASN 207 CO 0.00 0.00 0.00 1.57 1.40 0.00 0.00 177.26 180.23 3h8b n HIS 208 N -4.22 2.18 -1.29 1.20 -0.00 -1.24 -0.59 115.22 111.27 3h8b n HIS 208 Ca -0.20 0.23 -0.10 0.00 -0.00 0.00 0.00 57.72 57.66 3h8b n HIS 208 Cb 0.64 -2.56 -0.04 0.00 -0.00 0.00 0.00 29.99 28.02 3h8b n HIS 208 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 3h8b n GLY 210 N -0.61 -0.21 0.34 0.00 0.00 0.24 -1.57 105.19 103.39 3h8b n GLY 210 Ca -0.10 -0.21 0.15 0.00 0.00 0.00 0.00 46.02 45.87 3h8b n GLY 210 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 3h8b h ILE 211 N -0.45 0.84 -0.01 -0.61 2.04 -1.68 -2.23 117.51 115.40 3h8b h ILE 211 Ca -0.36 -0.01 0.00 0.00 1.00 0.00 0.00 64.86 65.48 3h8b h ILE 211 Cb 1.26 0.80 0.00 0.00 -0.74 0.00 0.00 36.82 38.14 3h8b h ILE 211 CO 0.41 0.01 -0.33 0.00 0.00 0.00 0.00 178.15 178.24 3h8b n ALA 212 N -2.60 3.24 0.25 1.87 0.00 -1.26 -4.49 120.51 117.51 3h8b n ALA 212 Ca 0.05 -0.53 0.13 0.00 0.00 0.00 0.00 53.44 53.09 3h8b n ALA 212 Cb 0.41 -0.96 0.26 0.00 0.00 0.00 0.00 19.45 19.16 3h8b n ALA 212 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 3h8b h SER 213 N 2.03 0.00 -1.43 0.00 0.02 -1.70 -3.36 113.55 109.10 3h8b h SER 213 Ca 0.00 0.00 -0.41 0.00 -0.84 0.00 0.00 61.79 60.54 3h8b h SER 213 Cb 0.65 0.00 -0.35 0.00 0.14 0.00 0.00 62.40 62.84 3h8b h SER 213 CO 0.00 0.00 -1.04 0.00 -1.14 0.00 0.00 176.83 174.65 3h8b n ALA 214 N -2.08 1.76 -2.77 3.77 0.00 -1.26 -4.89 120.51 115.04 3h8b n ALA 214 Ca 0.04 -2.96 -0.36 0.00 0.00 0.00 0.00 53.44 50.16 3h8b n ALA 214 Cb 0.49 -0.97 -0.07 0.00 0.00 0.00 0.00 19.45 18.90 3h8b n ALA 214 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3h8b s ALA 215 N -2.01 3.74 0.28 0.00 0.00 -1.26 -3.58 121.76 118.94 3h8b s ALA 215 Ca 0.34 -0.62 -0.18 0.00 0.00 0.00 0.00 51.96 51.49 3h8b s ALA 215 Cb 0.36 -2.14 0.02 0.00 0.00 0.00 0.00 23.12 21.36 3h8b s ALA 215 CO -0.06 0.31 0.66 -1.54 0.00 0.00 0.00 175.76 175.14 3h8b s SER 216 N -0.14 -0.18 0.04 0.00 1.04 -0.12 -1.09 113.70 113.24 3h8b s SER 216 Ca 0.12 -0.74 -0.16 0.00 0.48 0.00 0.00 55.95 55.65 3h8b s SER 216 Cb -0.12 0.70 0.03 0.00 0.10 0.00 0.00 66.02 66.73 3h8b s SER 216 CO 0.01 -1.32 0.36 -0.72 0.98 0.00 0.00 173.24 172.55 3h8b s TYR 217 N -3.82 -0.20 0.35 5.02 1.13 -0.89 -1.04 117.35 117.92 3h8b s TYR 217 Ca 0.14 0.14 -0.18 0.00 -1.41 0.00 0.00 57.07 55.76 3h8b s TYR 217 Cb -0.05 0.16 -0.10 0.00 -1.10 0.00 0.00 41.96 40.87 3h8b s TYR 217 CO 0.08 -0.52 0.83 -1.25 -2.51 0.00 0.00 175.55 172.17 3h8b s PRO 218 N -2.36 4.15 -0.37 -3.49 0.04 -1.26 -0.63 135.00 131.08 3h8b s PRO 218 Ca -0.06 0.90 -0.21 0.00 0.04 0.00 0.00 61.00 61.67 3h8b s PRO 218 Cb -0.01 -2.41 0.01 0.00 0.04 0.00 0.00 34.50 32.13 3h8b s PRO 218 CO -0.02 0.12 0.66 0.95 0.04 0.00 0.00 177.00 178.75 3h8b s THR 219 N -1.99 4.85 -0.41 1.26 -4.23 -0.19 -4.88 115.64 110.06 3h8b s THR 219 Ca 0.56 0.56 0.03 0.00 -1.18 0.00 0.00 61.69 61.66 3h8b s THR 219 Cb -0.11 -4.12 0.03 0.00 1.34 0.00 0.00 72.50 69.64 3h8b s THR 219 CO 0.17 -0.38 0.60 1.33 -0.54 0.00 0.00 174.62 175.80