#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1s8h h LEU 2 N 0.00 0.00 -0.37 1.04 3.38 -1.38 -2.28 115.31 115.70 1s8h h LEU 2 Ca 0.00 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.94 1s8h h LEU 2 Cb 0.00 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.73 1s8h h LEU 2 CO 0.00 0.00 0.10 -0.07 0.09 0.00 0.00 178.44 178.56 1s8h h LEU 3 N 0.00 0.54 -0.19 1.67 3.38 -1.94 -0.08 115.31 118.69 1s8h h LEU 3 Ca 0.01 -0.22 -0.13 0.00 0.09 0.00 0.00 57.88 57.63 1s8h h LEU 3 Cb 0.07 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 40.68 1s8h h LEU 3 CO -0.00 0.62 -0.40 -0.33 0.09 0.00 0.00 178.44 178.43 1s8h h GLU 4 N 0.44 0.61 -0.32 1.13 3.07 -1.81 -2.48 114.58 115.23 1s8h h GLU 4 Ca 0.12 -0.40 0.02 0.00 -0.50 0.00 0.00 59.36 58.60 1s8h h GLU 4 Cb 0.28 0.05 -0.02 0.00 -0.84 0.00 0.00 28.75 28.22 1s8h h GLU 4 CO -0.00 1.01 0.17 1.25 -1.40 0.00 0.00 179.01 180.04 1s8h h LEU 5 N 0.29 0.26 -0.74 1.33 5.85 -1.44 -0.47 115.31 120.39 1s8h h LEU 5 Ca 0.01 0.01 0.03 0.00 0.84 0.00 0.00 57.88 58.77 1s8h h LEU 5 Cb 1.00 -0.04 -0.05 0.00 0.37 0.00 0.00 40.66 41.94 1s8h h LEU 5 CO 0.09 0.19 0.47 1.23 -0.34 0.00 0.00 178.44 180.08 1s8h h GLY 6 N 0.35 1.07 0.99 3.75 0.00 -1.03 -1.26 103.07 106.94 1s8h h GLY 6 Ca 0.13 -0.36 -0.09 0.00 0.00 0.00 0.00 47.33 47.02 1s8h h GLY 6 CO -0.08 0.30 -0.07 1.70 0.00 0.00 0.00 176.54 178.39 1s8h h LYS 7 N 0.92 0.80 -0.89 4.80 3.64 -1.12 -2.14 116.57 122.57 1s8h h LYS 7 Ca 0.30 -0.29 0.00 0.00 -1.27 0.00 0.00 60.65 59.39 1s8h h LYS 7 Cb 0.01 -0.05 -0.04 0.00 -0.41 0.00 0.00 32.23 31.74 1s8h h LYS 7 CO -0.11 0.91 0.56 0.52 -2.27 0.00 0.00 179.45 179.06 1s8h h MET 8 N 0.62 1.19 -0.62 1.90 2.86 -0.89 -0.52 114.93 119.46 1s8h h MET 8 Ca 0.11 -0.09 -0.08 0.00 -2.06 0.00 0.00 59.70 57.58 1s8h h MET 8 Cb 0.60 -0.26 -0.02 0.00 0.06 0.00 0.00 31.60 31.97 1s8h h MET 8 CO 0.04 0.82 0.07 0.82 1.06 0.00 0.00 176.91 179.71 1s8h h ILE 9 N 1.22 1.26 -0.57 -1.22 2.04 -1.08 -1.33 117.51 117.82 1s8h h ILE 9 Ca 0.32 -1.06 -0.04 0.00 1.00 0.00 0.00 64.86 65.07 1s8h h ILE 9 Cb -0.09 0.73 -0.02 0.00 -0.74 0.00 0.00 36.82 36.70 1s8h h ILE 9 CO -0.06 0.39 0.19 0.25 0.00 0.00 0.00 178.15 178.92 1s8h h LEU 10 N 0.96 0.83 -0.63 1.44 5.85 -1.02 -0.38 115.31 122.36 1s8h h LEU 10 Ca 0.19 -0.20 -0.05 0.00 0.84 0.00 0.00 57.88 58.66 1s8h h LEU 10 Cb 0.48 -0.22 -0.03 0.00 0.37 0.00 0.00 40.66 41.26 1s8h h LEU 10 CO 0.02 0.81 0.20 1.56 -0.34 0.00 0.00 178.44 180.69 1s8h h GLN 11 N 0.80 0.98 0.09 1.25 4.20 -0.74 -1.13 115.11 120.56 1s8h h GLN 11 Ca 0.19 -0.21 -0.27 0.00 0.06 0.00 0.00 58.65 58.42 1s8h h GLN 11 Cb 0.27 -0.14 -0.01 0.00 0.30 0.00 0.00 27.48 27.89 1s8h h GLN 11 CO -0.01 0.86 -1.43 0.93 -0.67 0.00 0.00 178.83 178.51 1s8h h GLU 12 N 0.91 0.19 0.00 1.46 4.39 -1.23 -3.40 114.58 116.89 1s8h h GLU 12 Ca 0.20 -0.32 0.00 0.00 0.34 0.00 0.00 59.36 59.58 1s8h h GLU 12 Cb 0.28 0.12 0.00 0.00 -0.10 0.00 0.00 28.75 29.06 1s8h h GLU 12 CO -0.01 1.16 -1.59 0.25 -1.16 0.00 0.00 179.01 177.66 1s8h n THR 13 N -3.98 0.12 -0.96 1.13 -2.24 -0.16 -4.78 114.28 103.42 1s8h n THR 13 Ca -0.27 -0.41 0.00 0.00 -2.27 0.00 0.00 64.05 61.10 1s8h n THR 13 Cb 0.87 0.09 0.00 0.00 -2.10 0.00 0.00 70.33 69.19 1s8h n THR 13 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1s8h n GLY 14 N 1.29 0.49 3.79 3.38 0.00 -0.43 -5.02 105.19 108.69 1s8h n GLY 14 Ca -0.02 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.76 1s8h n GLY 14 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1s8h s LYS 16 N -0.43 2.83 -0.26 1.61 1.02 -1.26 -4.97 119.74 118.29 1s8h s LYS 16 Ca 0.00 -1.01 -0.29 0.00 0.02 0.00 0.00 55.97 54.69 1s8h s LYS 16 Cb 0.00 -2.55 0.00 0.00 -0.52 0.00 0.00 37.83 34.76 1s8h s LYS 16 CO 0.00 0.44 1.21 1.21 -0.92 0.00 0.00 175.35 177.29 1s8h s ASN 17 N -3.46 6.86 0.22 2.83 3.84 -1.26 -3.58 114.94 120.38 1s8h s ASN 17 Ca 0.32 1.34 -0.08 0.00 0.21 0.00 0.00 52.86 54.64 1s8h s ASN 17 Cb -0.09 -2.54 0.17 0.00 -0.55 0.00 0.00 41.25 38.24 1s8h s ASN 17 CO 0.23 -0.90 1.81 0.00 -2.79 0.00 0.00 177.10 175.46 1s8h h ALA 18 N 8.51 1.05 -0.02 1.71 0.00 -1.94 -1.17 119.26 127.40 1s8h h ALA 18 Ca -0.24 -0.16 -0.00 0.00 0.00 0.00 0.00 54.91 54.51 1s8h h ALA 18 Cb 1.09 -0.32 -0.00 0.00 0.00 0.00 0.00 17.79 18.55 1s8h h ALA 18 CO 1.01 0.61 0.00 0.82 0.00 0.00 0.00 179.25 181.69 1s8h h ILE 19 N 1.15 1.23 0.05 0.00 2.04 -1.94 -1.59 117.51 118.45 1s8h h ILE 19 Ca 0.28 -0.68 -0.25 0.00 1.00 0.00 0.00 64.86 65.21 1s8h h ILE 19 Cb 0.11 1.66 -0.02 0.00 -0.74 0.00 0.00 36.82 37.83 1s8h h ILE 19 CO -0.04 0.18 -1.18 0.71 0.00 0.00 0.00 178.15 177.82 1s8h h THR 20 N -0.25 1.53 0.00 -0.27 1.35 -1.95 -1.22 112.91 112.09 1s8h h THR 20 Ca 0.00 -3.20 -0.27 0.00 -0.55 0.00 0.00 66.41 62.40 1s8h h THR 20 Cb 0.29 2.83 -0.05 0.00 -1.73 0.00 0.00 68.15 69.50 1s8h h THR 20 CO 0.00 0.90 -1.66 -1.20 -0.25 0.00 0.00 175.52 173.30 1s8h n SER 21 N -3.39 0.84 0.00 5.36 7.64 -0.45 -4.59 113.62 119.04 1s8h n SER 21 Ca -0.05 0.40 0.00 0.00 1.01 0.00 0.00 58.87 60.22 1s8h n SER 21 Cb 0.98 0.02 0.00 0.00 -1.01 0.00 0.00 64.21 64.20 1s8h n SER 21 CO 0.00 0.00 0.00 -1.22 -3.01 0.00 0.00 175.04 170.81 1s8h n TYR 22 N -3.00 0.00 0.28 1.43 4.01 -0.84 -4.69 117.16 114.35 1s8h n TYR 22 Ca -0.16 0.00 0.14 0.00 -0.16 0.00 0.00 57.90 57.72 1s8h n TYR 22 Cb 1.01 0.00 0.66 0.00 -0.31 0.00 0.00 39.34 40.70 1s8h n TYR 22 CO 0.00 0.00 0.00 0.78 -0.46 0.00 0.00 176.86 177.18 1s8h h GLY 23 N 0.00 0.00 -3.78 2.72 0.00 -0.27 -2.99 103.07 98.75 1s8h h GLY 23 Ca 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 47.33 47.13 1s8h h GLY 23 CO 0.00 0.00 -1.03 -1.14 0.00 0.00 0.00 176.54 174.37 1s8h n SER 24 N -2.48 1.08 -4.68 0.19 3.41 -1.26 -1.98 113.62 107.89 1s8h n SER 24 Ca -0.00 -2.01 -0.37 0.00 -0.26 0.00 0.00 58.87 56.22 1s8h n SER 24 Cb 0.14 -0.32 -0.08 0.00 -0.26 0.00 0.00 64.21 63.69 1s8h n SER 24 CO 0.00 0.00 0.00 -0.47 -0.16 0.00 0.00 175.04 174.41 1s8h s TYR 25 N -1.22 3.38 0.00 7.33 6.14 -1.14 -1.81 117.35 130.03 1s8h s TYR 25 Ca 0.30 0.54 0.00 0.00 0.64 0.00 0.00 57.07 58.55 1s8h s TYR 25 Cb 0.36 -2.44 0.00 0.00 0.42 0.00 0.00 41.96 40.30 1s8h s TYR 25 CO -0.12 0.06 0.00 0.41 0.64 0.00 0.00 175.55 176.54 1s8h n GLY 26 N 3.88 1.01 0.72 8.97 0.00 -0.64 -2.18 105.19 116.96 1s8h n GLY 26 Ca -0.10 -0.64 0.13 0.00 0.00 0.00 0.00 46.02 45.40 1s8h n GLY 26 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1s8h n ASN 28 N 0.74 0.64 -0.05 0.00 3.02 -1.25 -1.98 115.26 116.37 1s8h n ASN 28 Ca 0.15 0.00 -0.15 0.00 -0.03 0.00 0.00 54.58 54.55 1s8h n ASN 28 Cb 0.50 0.05 -0.07 0.00 -0.61 0.00 0.00 39.78 39.65 1s8h n ASN 28 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1s8h n GLY 30 N 0.47 -0.53 3.69 0.00 0.00 -1.04 -4.62 105.19 103.16 1s8h n GLY 30 Ca -0.06 -0.31 -0.42 0.00 0.00 0.00 0.00 46.02 45.23 1s8h n GLY 30 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1s8h s TRP 31 N -1.77 3.35 0.00 1.61 0.51 -0.84 -1.87 118.94 119.93 1s8h s TRP 31 Ca 0.73 1.40 0.00 0.00 -2.12 0.00 0.00 56.10 56.11 1s8h s TRP 31 Cb -0.36 -3.31 0.00 0.00 -0.81 0.00 0.00 33.47 28.99 1s8h s TRP 31 CO 0.50 -0.80 0.00 0.41 -0.51 0.00 0.00 176.95 176.56 1s8h n GLY 32 N 3.23 1.66 3.71 0.98 0.00 -1.26 -5.02 105.19 108.49 1s8h n GLY 32 Ca 0.10 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.70 1s8h n GLY 32 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1s8h s HIS 33 N -3.45 3.42 0.10 1.61 3.76 -0.78 -5.04 115.29 114.91 1s8h s HIS 33 Ca 0.00 1.34 0.05 0.00 -0.15 0.00 0.00 55.06 56.30 1s8h s HIS 33 Cb 0.00 -3.38 -0.03 0.00 1.11 0.00 0.00 32.58 30.27 1s8h s HIS 33 CO 0.00 -1.12 -0.14 1.03 -0.85 0.00 0.00 174.74 173.66 1s8h s ARG 34 N 1.25 0.95 0.00 1.40 3.00 -0.84 -4.35 118.95 120.36 1s8h s ARG 34 Ca 0.57 -1.14 0.00 0.00 0.00 0.00 0.00 55.73 55.16 1s8h s ARG 34 Cb -0.28 -0.85 0.00 0.00 0.00 0.00 0.00 34.95 33.82 1s8h s ARG 34 CO 0.28 0.17 0.00 0.41 0.00 0.00 0.00 175.30 176.16 1s8h n GLY 35 N 0.77 1.81 3.71 -3.53 0.00 -1.06 -4.79 105.19 102.10 1s8h n GLY 35 Ca -0.17 -1.67 -0.42 0.00 0.00 0.00 0.00 46.02 43.75 1s8h n GLY 35 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1s8h s GLN 36 N -1.65 4.23 0.26 1.61 -0.21 -0.97 -4.65 119.66 118.27 1s8h s GLN 36 Ca 0.00 2.32 -0.30 0.00 0.02 0.00 0.00 55.36 57.40 1s8h s GLN 36 Cb 0.00 -3.23 -0.14 0.00 1.00 0.00 0.00 33.01 30.65 1s8h s GLN 36 CO 0.00 -0.60 1.29 -2.30 -2.12 0.00 0.00 175.29 171.56 1s8h n PRO 37 N 4.19 1.82 0.06 2.91 -0.02 -1.26 -4.63 135.00 138.08 1s8h n PRO 37 Ca 0.14 0.65 -0.05 0.00 -2.02 0.00 0.00 63.50 62.21 1s8h n PRO 37 Cb 0.39 -2.22 -0.09 0.00 -0.02 0.00 0.00 33.50 31.56 1s8h n PRO 37 CO 0.00 0.00 0.00 0.87 1.98 0.00 0.00 175.50 178.35 1s8h h LYS 38 N 3.43 0.00 0.00 -0.52 1.79 -1.92 -3.48 116.57 115.88 1s8h h LYS 38 Ca -0.44 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.03 1s8h h LYS 38 Cb 1.30 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 31.95 1s8h h LYS 38 CO 0.70 0.78 0.02 -0.40 -1.08 0.00 0.00 179.45 179.47 1s8h n ASP 39 N -3.25 -0.09 -0.20 0.86 5.68 -1.26 -5.03 116.55 113.26 1s8h n ASP 39 Ca -0.03 -1.06 -0.09 0.00 -0.50 0.00 0.00 54.79 53.11 1s8h n ASP 39 Cb 0.91 0.15 0.02 0.00 -1.14 0.00 0.00 41.12 41.06 1s8h n ASP 39 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1s8h h ALA 40 N 2.00 0.78 -0.46 2.12 0.00 -1.94 -0.99 119.26 120.77 1s8h h ALA 40 Ca -0.01 -0.28 0.05 0.00 0.00 0.00 0.00 54.91 54.67 1s8h h ALA 40 Cb 0.05 -0.22 -0.05 0.00 0.00 0.00 0.00 17.79 17.58 1s8h h ALA 40 CO 0.02 0.57 0.18 1.15 0.00 0.00 0.00 179.25 181.17 1s8h h THR 41 N 0.89 0.88 -0.37 0.00 2.02 -1.91 -1.25 112.91 113.17 1s8h h THR 41 Ca 0.17 -0.13 -0.08 0.00 0.77 0.00 0.00 66.41 67.15 1s8h h THR 41 Cb 0.49 0.48 -0.02 0.00 -1.74 0.00 0.00 68.15 67.37 1s8h h THR 41 CO 0.02 0.07 -0.09 -0.78 0.37 0.00 0.00 175.52 175.11 1s8h h ASP 42 N 0.37 0.61 -0.35 4.18 3.58 -1.86 -2.56 116.42 120.39 1s8h h ASP 42 Ca 0.21 -0.16 -0.08 0.00 0.42 0.00 0.00 57.03 57.42 1s8h h ASP 42 Cb 0.19 -0.16 -0.02 0.00 1.72 0.00 0.00 39.33 41.06 1s8h h ASP 42 CO -0.20 0.74 -0.06 -0.09 -2.88 0.00 0.00 179.24 176.75 1s8h h ARG 43 N 0.58 0.76 -0.86 0.28 2.43 -0.67 -1.97 114.38 114.94 1s8h h ARG 43 Ca 0.11 -0.23 0.12 0.00 -0.81 0.00 0.00 59.98 59.17 1s8h h ARG 43 Cb 0.50 -0.08 -0.08 0.00 -0.42 0.00 0.00 29.97 29.89 1s8h h ARG 43 CO 0.03 0.81 0.48 0.00 -1.51 0.00 0.00 179.97 179.78 1s8h h PHE 46 N 0.20 0.35 -0.68 0.00 3.57 -0.81 -1.22 116.94 118.34 1s8h h PHE 46 Ca -0.02 -0.02 0.01 0.00 3.53 0.00 0.00 57.97 61.47 1s8h h PHE 46 Cb 1.22 -0.11 -0.04 0.00 2.79 0.00 0.00 35.95 39.82 1s8h h PHE 46 CO 0.03 0.36 0.44 0.28 -2.23 0.00 0.00 178.31 177.20 1s8h h VAL 47 N 0.23 1.15 -0.22 1.41 2.07 -1.17 -1.30 116.25 118.42 1s8h h VAL 47 Ca 0.08 -0.31 0.02 0.00 0.82 0.00 0.00 66.70 67.31 1s8h h VAL 47 Cb 0.16 0.18 -0.02 0.00 -1.52 0.00 0.00 31.29 30.08 1s8h h VAL 47 CO -0.01 0.16 0.09 -0.74 0.02 0.00 0.00 177.57 177.10 1s8h h HIS 48 N 0.90 0.17 -0.49 1.57 -0.00 -1.01 -0.31 115.15 115.98 1s8h h HIS 48 Ca 0.26 0.01 -0.11 0.00 -0.00 0.00 0.00 60.37 60.53 1s8h h HIS 48 Cb -0.07 -0.04 -0.02 0.00 -0.00 0.00 0.00 27.41 27.28 1s8h h HIS 48 CO -0.03 0.09 -0.12 0.87 -0.00 0.00 0.00 177.93 178.73 1s8h h LYS 49 N 0.20 0.91 -0.98 5.26 1.57 -0.93 -1.84 116.57 120.76 1s8h h LYS 49 Ca 0.09 -0.33 0.06 0.00 -1.87 0.00 0.00 60.65 58.60 1s8h h LYS 49 Cb 0.05 -0.06 -0.06 0.00 0.08 0.00 0.00 32.23 32.23 1s8h h LYS 49 CO -0.08 0.98 0.63 0.00 -0.57 0.00 0.00 179.45 180.40 1s8h h TYR 52 N -0.21 0.00 0.00 0.00 -0.00 -1.23 -3.34 116.97 112.19 1s8h h TYR 52 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.73 1s8h h TYR 52 Cb 0.21 0.00 0.00 0.00 0.00 0.00 0.00 36.73 36.94 1s8h h TYR 52 CO -0.00 0.48 0.00 0.87 -0.00 0.00 0.00 178.16 179.51 1s8h h LYS 53 N 0.00 0.00 0.00 0.10 1.57 -1.35 -2.35 116.57 114.54 1s8h h LYS 53 Ca -0.12 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.66 1s8h h LYS 53 Cb 1.47 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.78 1s8h h LYS 53 CO 0.04 0.00 0.00 1.57 -0.57 0.00 0.00 179.45 180.49 1s8h h LYS 54 N 0.00 0.00 -6.25 3.15 2.10 -1.68 -3.44 116.57 110.45 1s8h h LYS 54 Ca 0.00 0.00 -0.57 0.00 -2.00 0.00 0.00 60.65 58.08 1s8h h LYS 54 Cb 0.43 0.00 -0.05 0.00 -0.90 0.00 0.00 32.23 31.71 1s8h h LYS 54 CO 0.00 0.00 0.89 -0.51 -2.00 0.00 0.00 179.45 177.83 1s8h s LEU 55 N -4.79 4.00 -0.00 7.07 1.43 -0.89 -4.92 118.68 120.57 1s8h s LEU 55 Ca 0.10 1.29 0.21 0.00 -1.03 0.00 0.00 54.13 54.70 1s8h s LEU 55 Cb 0.11 -3.54 -0.24 0.00 0.03 0.00 0.00 46.19 42.55 1s8h s LEU 55 CO 0.61 -0.89 0.82 0.35 0.23 0.00 0.00 176.35 177.47 1s8h n THR 56 N 5.78 0.00 0.61 5.49 -2.24 -1.26 -4.54 114.28 118.12 1s8h n THR 56 Ca 0.13 -0.08 0.10 0.00 -2.27 0.00 0.00 64.05 61.93 1s8h n THR 56 Cb 0.46 0.84 0.12 0.00 -2.10 0.00 0.00 70.33 69.66 1s8h n THR 56 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1s8h n ASP 59 N -1.61 2.87 -3.68 3.42 9.92 -1.26 -4.98 116.55 121.23 1s8h n ASP 59 Ca 0.03 -1.87 -0.07 0.00 -0.53 0.00 0.00 54.79 52.34 1s8h n ASP 59 Cb 0.36 -0.08 -0.01 0.00 -0.64 0.00 0.00 41.12 40.75 1s8h n ASP 59 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1s8h s ASN 67 N -2.95 4.46 0.36 0.00 3.84 -1.26 -4.98 114.94 114.41 1s8h s ASN 67 Ca 0.12 -0.35 0.03 0.00 0.21 0.00 0.00 52.86 52.87 1s8h s ASN 67 Cb -0.06 -1.77 0.68 0.00 -0.55 0.00 0.00 41.25 39.55 1s8h s ASN 67 CO 0.08 -0.02 2.02 -0.74 -2.79 0.00 0.00 177.10 175.65 1s8h h HIS 68 N 8.08 0.75 0.09 0.43 -0.00 -1.91 -2.60 115.15 119.98 1s8h h HIS 68 Ca -0.40 0.02 -0.21 0.00 -0.00 0.00 0.00 60.37 59.77 1s8h h HIS 68 Cb 1.16 -0.25 0.02 0.00 -0.00 0.00 0.00 27.41 28.34 1s8h h HIS 68 CO 0.60 0.47 -0.89 0.87 -0.00 0.00 0.00 177.93 178.98 1s8h h LYS 69 N 0.80 0.45 0.00 5.26 1.57 -1.94 -3.31 116.57 119.40 1s8h h LYS 69 Ca 0.22 -0.60 0.00 0.00 -1.87 0.00 0.00 60.65 58.40 1s8h h LYS 69 Cb -0.08 0.20 0.00 0.00 0.08 0.00 0.00 32.23 32.43 1s8h h LYS 69 CO -0.05 1.24 -1.39 0.25 -0.57 0.00 0.00 179.45 178.93 1s8h n THR 70 N -4.05 0.00 -2.96 -0.16 -2.24 -1.21 -1.59 114.28 102.08 1s8h n THR 70 Ca -0.13 -0.21 -0.42 0.00 -2.27 0.00 0.00 64.05 61.02 1s8h n THR 70 Cb 0.83 0.31 -0.05 0.00 -2.10 0.00 0.00 70.33 69.32 1s8h n THR 70 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 1s8h s ASP 71 N -3.02 6.59 0.55 3.42 1.01 -0.98 -4.80 116.67 119.43 1s8h s ASP 71 Ca -0.03 0.48 -0.18 0.00 0.71 0.00 0.00 52.55 53.52 1s8h s ASP 71 Cb 0.06 -2.40 -0.06 0.00 1.01 0.00 0.00 42.92 41.54 1s8h s ASP 71 CO 0.38 -0.67 1.08 -0.13 0.21 0.00 0.00 175.17 176.04 1s8h s ARG 72 N 3.01 3.43 0.21 8.23 0.52 -1.26 -0.38 118.95 132.72 1s8h s ARG 72 Ca 0.31 1.42 0.00 0.00 -0.52 0.00 0.00 55.73 56.95 1s8h s ARG 72 Cb -0.14 -2.03 -0.04 0.00 0.52 0.00 0.00 34.95 33.25 1s8h s ARG 72 CO 0.15 -0.75 0.10 1.52 0.02 0.00 0.00 175.30 176.34 1s8h s TYR 73 N -2.04 1.27 -0.22 -0.53 -0.85 -1.26 -4.78 117.35 108.94 1s8h s TYR 73 Ca 0.68 -1.26 -0.10 0.00 -0.52 0.00 0.00 57.07 55.87 1s8h s TYR 73 Cb -0.19 -0.69 -0.05 0.00 0.38 0.00 0.00 41.96 41.41 1s8h s TYR 73 CO 0.28 -0.48 0.14 -1.12 -1.52 0.00 0.00 175.55 172.85 1s8h s SER 74 N -3.20 6.12 0.12 -0.18 0.01 -1.26 -4.93 113.70 110.38 1s8h s SER 74 Ca 0.36 0.16 -0.11 0.00 1.31 0.00 0.00 55.95 57.67 1s8h s SER 74 Cb 0.07 -2.09 0.01 0.00 0.21 0.00 0.00 66.02 64.22 1s8h s SER 74 CO 0.11 0.13 0.28 -0.72 0.41 0.00 0.00 173.24 173.44 1s8h s TYR 75 N 0.69 0.13 0.01 2.43 1.13 -1.26 -1.98 117.35 118.50 1s8h s TYR 75 Ca 0.07 -0.51 0.06 0.00 -1.41 0.00 0.00 57.07 55.28 1s8h s TYR 75 Cb -0.12 0.03 -0.02 0.00 -1.10 0.00 0.00 41.96 40.75 1s8h s TYR 75 CO 0.01 -0.64 -0.19 -1.12 -2.51 0.00 0.00 175.55 171.10 1s8h s SER 76 N -2.88 2.29 -0.62 -0.18 0.01 -0.57 -4.92 113.70 106.84 1s8h s SER 76 Ca 0.08 -0.41 -0.18 0.00 1.31 0.00 0.00 55.95 56.74 1s8h s SER 76 Cb 0.04 -0.23 0.12 0.00 0.21 0.00 0.00 66.02 66.15 1s8h s SER 76 CO -0.08 0.20 0.71 0.86 0.41 0.00 0.00 173.24 175.34 1s8h s TRP 77 N -0.59 3.08 -0.05 2.43 -0.11 -1.26 -1.13 118.94 121.30 1s8h s TRP 77 Ca 0.07 -1.08 0.01 0.00 1.22 0.00 0.00 56.10 56.32 1s8h s TRP 77 Cb -0.08 -4.00 0.02 0.00 -1.50 0.00 0.00 33.47 27.91 1s8h s TRP 77 CO 0.00 -1.26 -0.06 0.21 -4.62 0.00 0.00 176.95 171.22 1s8h s LYS 78 N 2.42 1.00 -1.47 5.86 2.20 -0.50 -4.74 119.74 124.51 1s8h s LYS 78 Ca 0.12 -0.15 -0.08 0.00 -0.36 0.00 0.00 55.97 55.51 1s8h s LYS 78 Cb -0.23 -0.99 0.05 0.00 -1.51 0.00 0.00 37.83 35.16 1s8h s LYS 78 CO 0.04 -0.09 0.73 0.09 -0.36 0.00 0.00 175.35 175.76 1s8h n ASN 79 N 4.14 -2.45 -3.54 1.43 3.02 -1.26 -2.02 115.26 114.58 1s8h n ASN 79 Ca -0.22 -0.89 -0.26 0.00 -0.03 0.00 0.00 54.58 53.18 1s8h n ASN 79 Cb 0.51 -3.51 0.03 0.00 -0.61 0.00 0.00 39.78 36.20 1s8h n ASN 79 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1s8h n LYS 80 N -4.46 -5.43 -3.79 3.52 4.76 -1.26 -4.99 118.16 106.52 1s8h n LYS 80 Ca -0.13 0.69 -0.12 0.00 -2.87 0.00 0.00 58.31 55.88 1s8h n LYS 80 Cb 0.60 -5.58 -0.08 0.00 -1.84 0.00 0.00 35.03 28.13 1s8h n LYS 80 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1s8h s ALA 81 N -3.20 -0.62 -0.11 7.82 0.00 -0.86 -5.10 121.76 119.69 1s8h s ALA 81 Ca 0.52 0.06 -0.26 0.00 0.00 0.00 0.00 51.96 52.27 1s8h s ALA 81 Cb -0.25 0.20 -0.02 0.00 0.00 0.00 0.00 23.12 23.05 1s8h s ALA 81 CO 0.64 -0.32 0.83 0.42 0.00 0.00 0.00 175.76 177.32 1s8h s ILE 82 N -1.98 4.92 -0.18 0.00 1.01 -1.26 -1.41 121.20 122.30 1s8h s ILE 82 Ca -0.09 1.68 0.01 0.00 0.00 0.00 0.00 60.65 62.25 1s8h s ILE 82 Cb -0.03 -4.15 0.02 0.00 0.01 0.00 0.00 42.46 38.31 1s8h s ILE 82 CO -0.00 0.11 -0.19 -0.63 0.00 0.00 0.00 174.94 174.23 1s8h s ILE 83 N 1.56 1.97 -0.38 2.92 1.01 -0.28 -5.01 121.20 122.99 1s8h s ILE 83 Ca 0.41 -0.89 -0.29 0.00 0.00 0.00 0.00 60.65 59.88 1s8h s ILE 83 Cb -0.18 -1.80 0.02 0.00 0.01 0.00 0.00 42.46 40.51 1s8h s ILE 83 CO 0.17 0.52 1.21 0.00 0.00 0.00 0.00 174.94 176.84 1s8h n GLU 86 N 7.52 3.47 -4.98 0.00 1.02 -0.84 -5.00 120.64 121.83 1s8h n GLU 86 Ca 0.13 -4.58 -0.32 0.00 -0.02 0.00 0.00 57.16 52.37 1s8h n GLU 86 Cb 0.48 -2.27 -0.15 0.00 -0.02 0.00 0.00 31.44 29.48 1s8h n GLU 86 CO 0.00 0.00 0.00 -2.00 1.18 0.00 0.00 177.13 176.31 1s8h s GLU 87 N -3.63 3.12 -0.12 3.49 2.56 -1.21 -4.58 118.70 118.33 1s8h s GLU 87 Ca 0.48 -0.77 -0.20 0.00 0.00 0.00 0.00 54.97 54.48 1s8h s GLU 87 Cb 0.34 -2.46 -0.18 0.00 2.00 0.00 0.00 34.13 33.83 1s8h s GLU 87 CO -0.19 0.26 0.55 0.87 -0.56 0.00 0.00 175.26 176.19 1s8h h LYS 88 N 6.53 -0.01 -6.07 4.30 6.56 -1.96 -3.42 116.57 122.50 1s8h h LYS 88 Ca -0.26 0.00 -0.70 0.00 -1.06 0.00 0.00 60.65 58.64 1s8h h LYS 88 Cb 1.21 0.00 -0.01 0.00 -0.57 0.00 0.00 32.23 32.87 1s8h h LYS 88 CO 0.52 0.68 1.21 -1.71 -2.06 0.00 0.00 179.45 178.08 1s8h n ASN 89 N -4.67 2.26 -0.31 0.86 2.85 -1.26 -4.84 115.26 110.14 1s8h n ASN 89 Ca -0.07 0.71 0.08 0.00 -0.11 0.00 0.00 54.58 55.19 1s8h n ASN 89 Cb 0.33 -1.21 0.24 0.00 1.24 0.00 0.00 39.78 40.38 1s8h n ASN 89 CO 0.00 0.00 0.00 -0.65 -2.11 0.00 0.00 177.26 174.50 1s8h h PRO 90 N 10.11 0.64 -0.38 1.20 0.11 -1.99 0.25 132.00 141.94 1s8h h PRO 90 Ca -0.35 -0.04 -0.06 0.00 0.11 0.00 0.00 66.00 65.67 1s8h h PRO 90 Cb 1.32 -0.14 -0.01 0.00 0.11 0.00 0.00 31.00 32.27 1s8h h PRO 90 CO 1.00 0.43 0.01 0.00 -0.21 0.00 0.00 178.00 179.23 1s8h h LEU 92 N 0.48 0.24 -0.76 0.00 3.38 -1.74 -1.73 115.31 115.18 1s8h h LEU 92 Ca 0.11 -0.12 -0.07 0.00 0.09 0.00 0.00 57.88 57.89 1s8h h LEU 92 Cb 0.44 -0.07 -0.03 0.00 0.09 0.00 0.00 40.66 41.10 1s8h h LEU 92 CO 0.02 0.71 0.13 0.50 0.09 0.00 0.00 178.44 179.89 1s8h h LYS 93 N 0.18 1.07 -0.34 1.13 1.63 -0.46 -1.26 116.57 118.52 1s8h h LYS 93 Ca 0.01 -0.27 -0.10 0.00 -0.85 0.00 0.00 60.65 59.44 1s8h h LYS 93 Cb 0.95 -0.14 -0.01 0.00 -0.60 0.00 0.00 32.23 32.43 1s8h h LYS 93 CO 0.08 0.96 -0.22 0.93 -3.45 0.00 0.00 179.45 177.75 1s8h h GLU 94 N 1.01 0.65 -0.20 1.90 4.39 -1.09 -1.53 114.58 119.71 1s8h h GLU 94 Ca 0.21 -0.25 0.00 0.00 0.34 0.00 0.00 59.36 59.66 1s8h h GLU 94 Cb 0.40 -0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 29.00 1s8h h GLU 94 CO 0.01 0.82 0.13 1.98 -1.16 0.00 0.00 179.01 180.78 1s8h h MET 95 N 0.57 0.27 -0.82 2.33 4.05 -1.10 -1.36 114.93 118.87 1s8h h MET 95 Ca 0.08 -0.02 0.04 0.00 -0.28 0.00 0.00 59.70 59.53 1s8h h MET 95 Cb 0.69 -0.06 -0.05 0.00 -0.80 0.00 0.00 31.60 31.37 1s8h h MET 95 CO 0.05 0.20 0.52 0.00 0.23 0.00 0.00 176.91 177.91 1s8h h GLU 97 N 0.98 0.65 -0.17 0.00 4.39 -1.01 0.15 114.58 119.56 1s8h h GLU 97 Ca 0.34 -0.30 0.00 0.00 0.34 0.00 0.00 59.36 59.74 1s8h h GLU 97 Cb 0.08 -0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 28.71 1s8h h GLU 97 CO -0.14 0.89 0.11 0.00 -1.16 0.00 0.00 179.01 178.71 1s8h h ASP 99 N 0.22 0.68 -0.64 0.00 3.32 -0.88 -2.34 116.42 116.78 1s8h h ASP 99 Ca 0.06 -0.36 0.08 0.00 0.02 0.00 0.00 57.03 56.84 1s8h h ASP 99 Cb -0.01 -0.19 -0.07 0.00 0.22 0.00 0.00 39.33 39.29 1s8h h ASP 99 CO -0.01 0.88 0.29 0.50 -1.72 0.00 0.00 179.24 179.18 1s8h h LYS 100 N 0.47 0.50 -0.66 3.56 3.64 -0.72 -1.88 116.57 121.49 1s8h h LYS 100 Ca 0.09 -0.03 -0.07 0.00 -1.27 0.00 0.00 60.65 59.37 1s8h h LYS 100 Cb 0.57 -0.11 -0.03 0.00 -0.41 0.00 0.00 32.23 32.25 1s8h h LYS 100 CO 0.03 0.33 0.12 0.00 -2.27 0.00 0.00 179.45 177.66 1s8h h ALA 101 N 1.39 0.97 -0.04 5.00 0.00 -1.10 -2.01 119.26 123.46 1s8h h ALA 101 Ca 0.31 -0.26 -0.17 0.00 0.00 0.00 0.00 54.91 54.79 1s8h h ALA 101 Cb 0.32 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 1s8h h ALA 101 CO -0.26 0.65 -0.73 -0.24 0.00 0.00 0.00 179.25 178.68 1s8h h VAL 102 N 1.01 1.43 -0.30 0.00 3.04 -1.14 -1.11 116.25 119.17 1s8h h VAL 102 Ca 0.20 -2.25 -0.02 0.00 -1.01 0.00 0.00 66.70 63.62 1s8h h VAL 102 Cb 0.41 2.20 -0.01 0.00 -2.01 0.00 0.00 31.29 31.88 1s8h h VAL 102 CO 0.01 0.66 0.12 0.00 -1.01 0.00 0.00 177.57 177.35 1s8h h ALA 103 N 1.07 0.39 -0.39 3.17 0.00 -1.12 -0.14 119.26 122.25 1s8h h ALA 103 Ca -0.02 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.75 1s8h h ALA 103 Cb 1.29 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.94 1s8h h ALA 103 CO 0.11 -0.01 0.22 0.82 0.00 0.00 0.00 179.25 180.40 1s8h h ILE 104 N 0.34 1.14 -0.42 0.00 2.04 -1.33 -2.16 117.51 117.11 1s8h h ILE 104 Ca 0.10 -0.34 -0.03 0.00 1.00 0.00 0.00 64.86 65.59 1s8h h ILE 104 Cb 0.19 0.66 -0.02 0.00 -0.74 0.00 0.00 36.82 36.91 1s8h h ILE 104 CO -0.01 0.14 0.16 0.00 0.00 0.00 0.00 178.15 178.44 1s8h h LEU 106 N 0.54 0.93 -0.61 0.00 3.38 -0.99 -2.00 115.31 116.56 1s8h h LEU 106 Ca 0.14 -0.10 -0.02 0.00 0.09 0.00 0.00 57.88 57.99 1s8h h LEU 106 Cb 0.21 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.70 1s8h h LEU 106 CO -0.01 0.76 0.30 -0.09 0.09 0.00 0.00 178.44 179.50 1s8h h ARG 107 N 1.02 0.87 0.00 1.13 1.12 -1.01 -2.36 114.38 115.15 1s8h h ARG 107 Ca 0.26 -0.12 -0.02 0.00 -1.11 0.00 0.00 59.98 58.99 1s8h h ARG 107 Cb 0.05 -0.16 -0.00 0.00 -0.01 0.00 0.00 29.97 29.85 1s8h h ARG 107 CO -0.04 0.69 -0.08 1.49 -3.11 0.00 0.00 179.97 178.93 1s8h h GLU 108 N 0.83 0.00 -0.30 0.20 4.57 -0.75 -2.89 114.58 116.25 1s8h h GLU 108 Ca 0.21 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.39 1s8h h GLU 108 Cb 0.10 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.69 1s8h h GLU 108 CO -0.03 0.08 0.00 0.09 -1.18 0.00 0.00 179.01 177.97 1s8h n ASN 109 N -3.23 4.08 0.28 1.04 3.02 -0.79 -4.60 115.26 115.07 1s8h n ASN 109 Ca 0.00 -2.99 0.12 0.00 -0.03 0.00 0.00 54.58 51.68 1s8h n ASN 109 Cb 0.32 -0.56 0.79 0.00 -0.61 0.00 0.00 39.78 39.73 1s8h n ASN 109 CO 0.00 0.00 0.00 -0.07 -2.62 0.00 0.00 177.26 174.57 1s8h h LEU 110 N 2.06 0.00 -2.08 3.41 3.38 -1.21 -2.73 115.31 118.15 1s8h h LEU 110 Ca 0.00 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 1s8h h LEU 110 Cb 1.50 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.24 1s8h h LEU 110 CO 0.25 0.04 -0.07 -2.24 0.09 0.00 0.00 178.44 176.51 1s8h h ASP 111 N 0.00 0.00 -0.19 -0.43 2.03 -1.84 -2.73 116.42 113.25 1s8h h ASP 111 Ca -0.00 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.30 1s8h h ASP 111 Cb 0.09 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.59 1s8h h ASP 111 CO 0.01 0.07 0.00 0.35 -1.03 0.00 0.00 179.24 178.63 1s8h n THR 112 N -3.41 0.94 -1.67 1.15 -2.24 -1.04 -5.01 114.28 103.00 1s8h n THR 112 Ca -0.02 -0.97 -0.46 0.00 -2.27 0.00 0.00 64.05 60.34 1s8h n THR 112 Cb 0.21 0.54 -0.04 0.00 -2.10 0.00 0.00 70.33 68.94 1s8h n THR 112 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1s8h n TYR 113 N 0.11 2.31 -3.90 4.78 4.19 -1.03 -4.90 117.16 118.71 1s8h n TYR 113 Ca 0.07 0.24 -0.27 0.00 3.31 0.00 0.00 57.90 61.25 1s8h n TYR 113 Cb 0.34 -2.56 -0.17 0.00 0.49 0.00 0.00 39.34 37.45 1s8h n TYR 113 CO 0.00 0.00 0.00 1.21 0.91 0.00 0.00 176.86 178.98 1s8h s ASN 114 N 1.03 2.47 0.28 2.98 3.84 -1.26 -5.02 114.94 119.27 1s8h s ASN 114 Ca 0.79 -0.46 0.21 0.00 0.21 0.00 0.00 52.86 53.61 1s8h s ASN 114 Cb -0.67 -0.87 1.05 0.00 -0.55 0.00 0.00 41.25 40.21 1s8h s ASN 114 CO 0.38 -0.15 1.65 0.29 -2.79 0.00 0.00 177.10 176.48 1s8h n LYS 115 N 4.91 0.15 0.21 0.43 5.02 -1.26 -1.79 118.16 125.84 1s8h n LYS 115 Ca -0.12 0.55 0.05 0.00 -2.02 0.00 0.00 58.31 56.77 1s8h n LYS 115 Cb 0.49 -1.90 0.46 0.00 -0.02 0.00 0.00 35.03 34.06 1s8h n LYS 115 CO 0.00 0.00 0.00 1.57 -0.52 0.00 0.00 177.40 178.45 1s8h h LYS 116 N 0.00 0.00 0.00 1.97 2.10 -1.99 -2.13 116.57 116.52 1s8h h LYS 116 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 1s8h h LYS 116 Cb 0.14 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.47 1s8h h LYS 116 CO 0.00 0.26 -0.37 0.66 -2.00 0.00 0.00 179.45 178.01 1s8h n TYR 117 N -4.12 0.13 -0.36 0.07 4.01 -0.74 -4.40 117.16 111.76 1s8h n TYR 117 Ca -0.02 0.04 0.06 0.00 -0.16 0.00 0.00 57.90 57.82 1s8h n TYR 117 Cb 0.32 -0.41 0.23 0.00 -0.31 0.00 0.00 39.34 39.17 1s8h n TYR 117 CO 0.00 0.00 0.00 -0.22 -0.46 0.00 0.00 176.86 176.18 1s8h h LYS 118 N 0.00 1.01 -3.13 -0.72 3.64 -1.43 -1.70 116.57 114.24 1s8h h LYS 118 Ca 0.00 -0.06 -0.63 0.00 -1.27 0.00 0.00 60.65 58.69 1s8h h LYS 118 Cb 0.55 -0.23 -0.42 0.00 -0.41 0.00 0.00 32.23 31.73 1s8h h LYS 118 CO 0.00 0.67 -0.55 0.00 -2.27 0.00 0.00 179.45 177.30 1s8h s ALA 119 N -5.97 3.79 -0.61 5.00 0.00 -1.26 -3.81 121.76 118.90 1s8h s ALA 119 Ca -0.12 -3.78 0.06 0.00 0.00 0.00 0.00 51.96 48.13 1s8h s ALA 119 Cb 0.21 -2.20 0.15 0.00 0.00 0.00 0.00 23.12 21.29 1s8h s ALA 119 CO 0.81 -2.09 1.06 0.98 0.00 0.00 0.00 175.76 176.51 1s8h n TYR 120 N 2.12 0.22 -0.31 0.00 9.36 -0.75 -4.75 117.16 123.05 1s8h n TYR 120 Ca 0.18 -0.39 0.06 0.00 3.32 0.00 0.00 57.90 61.07 1s8h n TYR 120 Cb 0.35 -0.03 0.22 0.00 -0.63 0.00 0.00 39.34 39.25 1s8h n TYR 120 CO 0.00 0.00 0.00 0.35 0.22 0.00 0.00 176.86 177.43 1s8h h PHE 121 N 1.23 0.88 0.00 2.98 3.57 -1.87 -1.90 116.94 121.83 1s8h h PHE 121 Ca 0.00 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.53 1s8h h PHE 121 Cb 0.56 -0.26 0.00 0.00 2.79 0.00 0.00 35.95 39.04 1s8h h PHE 121 CO 0.11 0.28 -0.54 1.63 -2.23 0.00 0.00 178.31 177.56 1s8h n LYS 122 N -4.78 0.02 -2.68 1.11 5.02 -1.26 -4.92 118.16 110.66 1s8h n LYS 122 Ca 0.17 0.00 -0.41 0.00 -2.02 0.00 0.00 58.31 56.05 1s8h n LYS 122 Cb 0.38 -1.51 -0.05 0.00 -0.02 0.00 0.00 35.03 33.84 1s8h n LYS 122 CO 0.00 0.00 0.00 -0.06 -0.52 0.00 0.00 177.40 176.82 1s8h s PHE 124 N -3.01 3.82 0.40 2.13 0.40 -0.71 -5.03 117.98 115.98 1s8h s PHE 124 Ca 0.11 1.80 -0.25 0.00 -0.60 0.00 0.00 56.93 57.98 1s8h s PHE 124 Cb 0.17 -3.08 -0.08 0.00 0.51 0.00 0.00 43.02 40.54 1s8h s PHE 124 CO 0.71 0.10 1.14 0.15 0.70 0.00 0.00 175.22 178.02 1s8h s LYS 125 N -0.50 4.06 0.10 0.44 1.02 -1.26 -5.03 119.74 118.58 1s8h s LYS 125 Ca 0.45 1.74 0.08 0.00 0.02 0.00 0.00 55.97 58.27 1s8h s LYS 125 Cb -0.26 -2.62 -0.04 0.00 -0.52 0.00 0.00 37.83 34.40 1s8h s LYS 125 CO 0.32 -0.29 -0.21 0.00 -0.92 0.00 0.00 175.35 174.25 1s8h s LYS 128 N -1.92 1.98 0.28 0.00 1.02 -1.26 -4.91 119.74 114.93 1s8h s LYS 128 Ca 0.07 0.62 -0.30 0.00 0.02 0.00 0.00 55.97 56.38 1s8h s LYS 128 Cb -0.10 -1.91 -0.10 0.00 -0.52 0.00 0.00 37.83 35.20 1s8h s LYS 128 CO 0.04 -1.69 1.45 0.21 -0.92 0.00 0.00 175.35 174.45 1s8h s LYS 129 N -5.16 4.24 0.47 1.68 2.36 -1.26 -2.30 119.74 119.77 1s8h s LYS 129 Ca 0.61 2.37 -0.23 0.00 -2.55 0.00 0.00 55.97 56.17 1s8h s LYS 129 Cb -0.15 -3.07 -0.07 0.00 -1.05 0.00 0.00 37.83 33.49 1s8h s LYS 129 CO 0.54 -0.43 1.24 -1.25 1.55 0.00 0.00 175.35 177.00 1s8h s PRO 130 N -0.80 3.65 0.85 4.03 0.04 -1.26 -3.98 135.00 137.52 1s8h s PRO 130 Ca 0.58 1.96 -0.10 0.00 0.04 0.00 0.00 61.00 63.48 1s8h s PRO 130 Cb -0.43 -2.44 0.16 0.00 0.04 0.00 0.00 34.50 31.83 1s8h s PRO 130 CO 0.48 -0.70 1.18 -1.83 0.04 0.00 0.00 177.00 176.17 1s8h s GLU 131 N -2.65 1.18 0.23 4.56 -1.05 -1.26 -4.91 118.70 114.80 1s8h s GLU 131 Ca 0.64 -0.61 -0.17 0.00 -0.15 0.00 0.00 54.97 54.68 1s8h s GLU 131 Cb -0.33 -2.04 -0.08 0.00 -0.44 0.00 0.00 34.13 31.23 1s8h s GLU 131 CO 0.41 -1.95 0.69 0.99 0.95 0.00 0.00 175.26 176.34 1s8h s THR 132 N -3.57 4.66 -2.00 1.83 2.01 -1.26 -5.05 115.64 112.26 1s8h s THR 132 Ca 0.70 1.08 0.07 0.00 0.31 0.00 0.00 61.69 63.84 1s8h s THR 132 Cb -0.05 -3.76 0.19 0.00 0.01 0.00 0.00 72.50 68.89 1s8h s THR 132 CO 0.49 0.10 0.87 0.00 -0.69 0.00 0.00 174.62 175.39