#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1u1l s GLU 9 N 0.00 3.11 0.32 1.97 1.03 -1.26 -5.05 118.70 118.81 1u1l s GLU 9 Ca 0.00 -0.90 -0.29 0.00 0.03 0.00 0.00 54.97 53.81 1u1l s GLU 9 Cb 0.00 -2.77 -0.13 0.00 -0.80 0.00 0.00 34.13 30.44 1u1l s GLU 9 CO 0.00 -0.01 1.26 -2.30 -1.33 0.00 0.00 175.26 172.89 1u1l n PRO 10 N -1.73 1.99 -0.25 -4.83 -0.02 -1.26 -4.85 135.00 124.04 1u1l n PRO 10 Ca 0.00 0.70 0.05 0.00 -2.02 0.00 0.00 63.50 62.24 1u1l n PRO 10 Cb 0.58 -2.26 0.18 0.00 -0.02 0.00 0.00 33.50 31.99 1u1l n PRO 10 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 1u1l h GLU 11 N 2.72 0.33 -0.52 -0.52 4.22 -1.98 -0.38 114.58 118.46 1u1l h GLU 11 Ca -0.45 -0.02 0.09 0.00 0.08 0.00 0.00 59.36 59.06 1u1l h GLU 11 Cb 1.29 -0.07 -0.03 0.00 0.50 0.00 0.00 28.75 30.44 1u1l h GLU 11 CO 0.64 0.22 0.35 0.37 -2.18 0.00 0.00 179.01 178.41 1u1l h GLN 12 N 0.34 0.33 -0.00 1.92 5.75 -1.95 -0.69 115.11 120.81 1u1l h GLN 12 Ca 0.42 -0.02 0.00 0.00 -0.15 0.00 0.00 58.65 58.90 1u1l h GLN 12 Cb 0.68 -0.07 0.00 0.00 1.07 0.00 0.00 27.48 29.16 1u1l h GLN 12 CO -0.46 0.22 -0.30 1.28 -2.65 0.00 0.00 178.83 176.92 1u1l n LEU 13 N -4.47 0.52 -0.87 -2.39 4.77 -0.18 -3.44 117.00 110.94 1u1l n LEU 13 Ca 0.08 0.03 0.10 0.00 -0.03 0.00 0.00 56.01 56.19 1u1l n LEU 13 Cb 0.35 -0.25 0.14 0.00 -2.33 0.00 0.00 43.42 41.32 1u1l n LEU 13 CO 0.34 0.11 0.61 0.54 -1.33 0.00 0.00 177.39 177.66 1u1l n ARG 14 N -1.23 2.01 -4.59 3.23 1.74 -0.31 -4.66 116.66 112.86 1u1l n ARG 14 Ca 0.09 -1.89 -0.34 0.00 -0.77 0.00 0.00 57.85 54.93 1u1l n ARG 14 Cb 0.33 -1.40 -0.11 0.00 -1.02 0.00 0.00 32.46 30.26 1u1l n ARG 14 CO 0.00 0.00 0.00 0.21 -1.52 0.00 0.00 177.63 176.32 1u1l s LYS 15 N -1.41 2.85 -0.01 5.56 2.20 -0.96 -0.72 119.74 127.25 1u1l s LYS 15 Ca 0.28 -0.53 0.05 0.00 -0.36 0.00 0.00 55.97 55.41 1u1l s LYS 15 Cb 0.17 -2.63 -0.03 0.00 -1.51 0.00 0.00 37.83 33.83 1u1l s LYS 15 CO 0.25 0.63 -0.16 -0.51 -0.36 0.00 0.00 175.35 175.20 1u1l s LEU 16 N -0.72 2.66 -0.03 5.43 1.43 0.72 -1.85 118.68 126.32 1u1l s LEU 16 Ca 0.11 -0.31 -0.16 0.00 -1.03 0.00 0.00 54.13 52.74 1u1l s LEU 16 Cb -0.11 -1.54 -0.05 0.00 0.03 0.00 0.00 46.19 44.51 1u1l s LEU 16 CO 0.02 0.30 0.44 0.12 0.23 0.00 0.00 176.35 177.45 1u1l s PHE 17 N -0.82 3.67 -0.30 0.29 5.36 0.12 -1.89 117.98 124.41 1u1l s PHE 17 Ca 0.13 0.98 0.03 0.00 -0.96 0.00 0.00 56.93 57.10 1u1l s PHE 17 Cb -0.11 -2.38 0.08 0.00 -0.34 0.00 0.00 43.02 40.28 1u1l s PHE 17 CO 0.03 0.50 0.01 0.42 -1.46 0.00 0.00 175.22 174.71 1u1l s ILE 18 N -0.57 1.92 0.43 3.12 -1.09 0.21 -0.43 121.20 124.79 1u1l s ILE 18 Ca 0.24 -1.87 0.04 0.00 -2.23 0.00 0.00 60.65 56.83 1u1l s ILE 18 Cb -0.16 -2.30 0.00 0.00 -1.58 0.00 0.00 42.46 38.42 1u1l s ILE 18 CO 0.13 -0.41 0.61 -0.83 -1.23 0.00 0.00 174.94 173.21 1u1l s GLY 19 N 1.13 1.69 -1.04 6.18 0.00 -0.70 -1.28 107.32 113.31 1u1l s GLY 19 Ca 0.04 -1.35 0.00 0.00 0.00 0.00 0.00 44.72 43.41 1u1l s GLY 19 CO -0.10 -1.18 0.00 0.61 0.00 0.00 0.00 173.10 172.43 1u1l n GLY 20 N -1.95 0.37 3.77 0.20 0.00 -1.03 -0.61 105.19 105.94 1u1l n GLY 20 Ca 0.03 -0.45 -0.41 0.00 0.00 0.00 0.00 46.02 45.19 1u1l n GLY 20 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1u1l s LEU 21 N -2.98 4.35 0.69 0.99 1.02 -0.48 -4.59 118.68 117.67 1u1l s LEU 21 Ca 0.00 2.92 -0.17 0.00 0.02 0.00 0.00 54.13 56.91 1u1l s LEU 21 Cb 0.00 -3.65 0.01 0.00 0.02 0.00 0.00 46.19 42.57 1u1l s LEU 21 CO 0.00 -0.80 1.25 -0.55 0.02 0.00 0.00 176.35 176.27 1u1l s SER 22 N -0.02 4.43 0.55 2.29 0.15 -1.26 -4.66 113.70 115.17 1u1l s SER 22 Ca 0.55 2.48 0.27 0.00 0.70 0.00 0.00 55.95 59.95 1u1l s SER 22 Cb -0.45 -2.60 1.45 0.00 -1.71 0.00 0.00 66.02 62.71 1u1l s SER 22 CO 0.56 -2.11 1.99 2.19 1.20 0.00 0.00 173.24 177.06 1u1l h PHE 23 N 0.16 0.00 -0.58 3.44 -5.15 -1.96 -1.41 116.94 111.44 1u1l h PHE 23 Ca -0.49 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.28 1u1l h PHE 23 Cb 1.31 0.00 0.00 0.00 0.22 0.00 0.00 35.95 37.48 1u1l h PHE 23 CO 0.44 0.00 0.00 -0.85 -2.00 0.00 0.00 178.31 175.90 1u1l n GLU 24 N -4.18 2.65 -2.49 6.09 0.28 -1.26 -4.83 120.64 116.90 1u1l n GLU 24 Ca 0.09 -2.45 -0.42 0.00 -0.16 0.00 0.00 57.16 54.22 1u1l n GLU 24 Cb 0.60 -1.50 -0.03 0.00 1.43 0.00 0.00 31.44 31.93 1u1l n GLU 24 CO 0.00 0.00 0.00 0.99 -0.16 0.00 0.00 177.13 177.96 1u1l s THR 25 N -1.11 4.10 0.40 3.84 2.01 -0.53 -5.00 115.64 119.34 1u1l s THR 25 Ca 0.42 1.59 0.06 0.00 0.31 0.00 0.00 61.69 64.07 1u1l s THR 25 Cb 0.22 -4.02 -0.07 0.00 0.01 0.00 0.00 72.50 68.65 1u1l s THR 25 CO 0.30 0.17 0.02 0.28 -0.69 0.00 0.00 174.62 174.70 1u1l s THR 26 N 0.65 1.71 0.25 -0.82 -1.32 -1.26 -4.94 115.64 109.90 1u1l s THR 26 Ca 0.55 -2.00 -0.05 0.00 -1.21 0.00 0.00 61.69 58.98 1u1l s THR 26 Cb -0.28 -2.88 0.25 0.00 -1.51 0.00 0.00 72.50 68.08 1u1l s THR 26 CO 0.31 0.00 1.66 0.44 -2.21 0.00 0.00 174.62 174.82 1u1l h ASP 27 N 1.83 -0.12 -0.39 8.08 5.19 -1.92 0.22 116.42 129.31 1u1l h ASP 27 Ca -0.43 0.17 -0.07 0.00 -0.62 0.00 0.00 57.03 56.08 1u1l h ASP 27 Cb 1.25 0.25 -0.01 0.00 0.18 0.00 0.00 39.33 41.00 1u1l h ASP 27 CO 0.77 -0.10 -0.03 -0.33 -3.12 0.00 0.00 179.24 176.43 1u1l h GLU 28 N 0.20 0.71 -0.09 3.56 4.39 -1.96 -0.59 114.58 120.80 1u1l h GLU 28 Ca 0.42 -0.24 -0.13 0.00 0.34 0.00 0.00 59.36 59.75 1u1l h GLU 28 Cb 0.75 -0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 29.33 1u1l h GLU 28 CO -0.57 0.82 -0.53 0.66 -1.16 0.00 0.00 179.01 178.22 1u1l h SER 29 N 0.53 0.28 -0.01 1.42 4.64 -1.70 0.04 113.55 118.76 1u1l h SER 29 Ca 0.11 -0.14 -0.00 0.00 -0.47 0.00 0.00 61.79 61.28 1u1l h SER 29 Cb 0.52 -0.08 -0.00 0.00 -0.31 0.00 0.00 62.40 62.53 1u1l h SER 29 CO 0.03 0.76 -0.00 0.25 -0.87 0.00 0.00 176.83 177.00 1u1l h LEU 30 N 0.20 0.02 -0.50 5.97 5.85 -0.50 -2.80 115.31 123.54 1u1l h LEU 30 Ca 0.00 -0.37 0.03 0.00 0.84 0.00 0.00 57.88 58.38 1u1l h LEU 30 Cb 1.00 -0.00 -0.04 0.00 0.37 0.00 0.00 40.66 42.00 1u1l h LEU 30 CO 0.08 0.38 0.29 -0.09 -0.34 0.00 0.00 178.44 178.76 1u1l h ARG 31 N -0.35 0.56 -0.54 1.25 2.43 -1.01 -2.06 114.38 114.66 1u1l h ARG 31 Ca 0.00 -0.03 0.14 0.00 -0.81 0.00 0.00 59.98 59.27 1u1l h ARG 31 Cb 0.37 -0.13 -0.03 0.00 -0.42 0.00 0.00 29.97 29.77 1u1l h ARG 31 CO 0.00 0.37 0.38 1.03 -1.51 0.00 0.00 179.97 180.24 1u1l h SER 32 N 0.57 0.11 0.00 -3.80 0.87 -0.91 -1.70 113.55 108.69 1u1l h SER 32 Ca 0.20 0.00 -0.04 0.00 -1.23 0.00 0.00 61.79 60.73 1u1l h SER 32 Cb 0.04 -0.02 -0.01 0.00 -0.44 0.00 0.00 62.40 61.98 1u1l h SER 32 CO -0.10 0.06 -0.23 -0.74 -0.53 0.00 0.00 176.83 175.28 1u1l h HIS 33 N 0.12 0.00 0.00 2.24 -0.00 -1.12 -3.39 115.15 113.01 1u1l h HIS 33 Ca 0.26 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.63 1u1l h HIS 33 Cb 0.86 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 28.27 1u1l h HIS 33 CO -0.00 0.77 0.00 0.74 -0.00 0.00 0.00 177.93 179.44 1u1l h PHE 34 N -1.00 0.00 0.00 5.26 0.04 -1.35 -2.98 116.94 116.91 1u1l h PHE 34 Ca -0.06 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.71 1u1l h PHE 34 Cb 0.78 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.93 1u1l h PHE 34 CO 0.15 0.00 0.00 0.39 -0.60 0.00 0.00 178.31 178.25 1u1l n GLU 35 N -2.32 0.02 0.00 1.51 1.02 -0.65 -1.93 120.64 118.29 1u1l n GLU 35 Ca 0.03 0.28 0.08 0.00 -0.02 0.00 0.00 57.16 57.53 1u1l n GLU 35 Cb 0.32 -1.50 0.36 0.00 -0.02 0.00 0.00 31.44 30.59 1u1l n GLU 35 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 1u1l n GLN 36 N -1.47 0.03 0.00 3.49 6.02 -1.13 -2.55 117.38 121.77 1u1l n GLN 36 Ca 0.03 0.21 0.00 0.00 -0.01 0.00 0.00 57.00 57.23 1u1l n GLN 36 Cb 0.13 -1.50 0.00 0.00 1.02 0.00 0.00 30.24 29.89 1u1l n GLN 36 CO 0.00 0.00 0.00 0.91 -1.01 0.00 0.00 177.06 176.96 1u1l n TRP 37 N -1.48 0.00 -0.18 1.08 8.01 -0.81 -5.11 117.44 118.95 1u1l n TRP 37 Ca 0.04 -0.36 0.00 0.00 -1.31 0.00 0.00 57.50 55.87 1u1l n TRP 37 Cb 0.18 -0.04 0.00 0.00 -2.01 0.00 0.00 31.31 29.45 1u1l n TRP 37 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 1u1l n GLY 38 N -0.36 -1.56 3.67 6.99 0.00 -1.06 -4.72 105.19 108.15 1u1l n GLY 38 Ca 0.00 -1.53 -0.42 0.00 0.00 0.00 0.00 46.02 44.07 1u1l n GLY 38 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1u1l s THR 39 N -1.73 4.79 -0.21 2.61 2.01 -1.26 -4.39 115.64 117.46 1u1l s THR 39 Ca 0.00 1.85 -0.18 0.00 0.31 0.00 0.00 61.69 63.67 1u1l s THR 39 Cb 0.00 -4.23 -0.03 0.00 0.01 0.00 0.00 72.50 68.25 1u1l s THR 39 CO 0.00 -0.05 0.52 -0.76 -0.69 0.00 0.00 174.62 173.64 1u1l s LEU 40 N 2.48 4.14 0.00 4.42 1.43 -1.26 -1.29 118.68 128.60 1u1l s LEU 40 Ca 0.42 0.66 0.24 0.00 -1.03 0.00 0.00 54.13 54.42 1u1l s LEU 40 Cb -0.16 -2.70 0.32 0.00 0.03 0.00 0.00 46.19 43.67 1u1l s LEU 40 CO 0.12 -0.19 1.29 0.35 0.23 0.00 0.00 176.35 178.14 1u1l n THR 41 N 4.61 0.00 -3.60 5.49 -2.24 0.11 -4.91 114.28 113.74 1u1l n THR 41 Ca -0.05 -0.15 -0.10 0.00 -2.27 0.00 0.00 64.05 61.48 1u1l n THR 41 Cb 0.50 0.79 -0.06 0.00 -2.10 0.00 0.00 70.33 69.47 1u1l n THR 41 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1u1l s ASP 42 N -2.60 -0.41 -0.28 3.42 2.15 -1.20 -4.98 116.67 112.78 1u1l s ASP 42 Ca 0.19 0.57 -0.18 0.00 0.43 0.00 0.00 52.55 53.56 1u1l s ASP 42 Cb 0.18 0.51 0.09 0.00 -0.30 0.00 0.00 42.92 43.40 1u1l s ASP 42 CO 0.60 -0.29 0.76 0.00 -0.17 0.00 0.00 175.17 176.07 1u1l s VAL 44 N 1.35 0.00 -0.28 0.00 0.11 -0.48 -4.94 120.40 116.16 1u1l s VAL 44 Ca -0.08 0.00 -0.07 0.00 -2.93 0.00 0.00 61.98 58.90 1u1l s VAL 44 Cb -0.05 -1.00 -0.00 0.00 -1.53 0.00 0.00 36.38 33.80 1u1l s VAL 44 CO -0.16 0.00 0.08 -0.69 -3.33 0.00 0.00 175.10 171.00 1u1l s VAL 45 N -0.55 4.08 0.09 2.04 1.01 -1.26 -1.25 120.40 124.55 1u1l s VAL 45 Ca -0.02 -0.54 -0.31 0.00 0.00 0.00 0.00 61.98 61.11 1u1l s VAL 45 Cb -0.02 -3.04 -0.07 0.00 0.00 0.00 0.00 36.38 33.24 1u1l s VAL 45 CO 0.01 0.15 1.41 -0.04 0.00 0.00 0.00 175.10 176.64 1u1l s MET 46 N 1.54 4.30 0.46 2.72 -1.94 -0.67 -4.93 119.30 120.79 1u1l s MET 46 Ca 0.04 2.07 0.03 0.00 -1.71 0.00 0.00 55.69 56.13 1u1l s MET 46 Cb -0.17 -3.33 -0.04 0.00 2.01 0.00 0.00 34.83 33.31 1u1l s MET 46 CO 0.03 -0.48 0.02 1.03 -0.01 0.00 0.00 175.02 175.60 1u1l s ARG 47 N 1.44 2.07 -0.30 2.03 0.52 -1.26 -0.34 118.95 123.12 1u1l s ARG 47 Ca 0.65 -2.27 -0.26 0.00 -0.52 0.00 0.00 55.73 53.34 1u1l s ARG 47 Cb -0.36 -1.48 0.01 0.00 0.52 0.00 0.00 34.95 33.64 1u1l s ARG 47 CO 0.30 -0.25 0.91 0.34 0.02 0.00 0.00 175.30 176.61 1u1l s ASP 48 N -3.79 6.79 0.66 0.23 2.15 0.28 -4.77 116.67 118.23 1u1l s ASP 48 Ca 0.18 0.86 0.27 0.00 0.43 0.00 0.00 52.55 54.29 1u1l s ASP 48 Cb 0.05 -2.46 1.48 0.00 -0.30 0.00 0.00 42.92 41.69 1u1l s ASP 48 CO 0.09 -0.71 1.84 -0.65 -0.17 0.00 0.00 175.17 175.57 1u1l h PRO 49 N 8.05 0.00 0.00 4.34 0.11 -1.95 0.81 132.00 143.36 1u1l h PRO 49 Ca -0.23 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.88 1u1l h PRO 49 Cb 1.08 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.19 1u1l h PRO 49 CO 0.94 0.00 0.00 -1.71 -0.21 0.00 0.00 178.00 177.02 1u1l n ASN 50 N -2.89 0.00 0.00 -2.05 5.15 -1.26 -4.53 115.26 109.68 1u1l n ASN 50 Ca -0.01 0.08 0.10 0.00 -0.60 0.00 0.00 54.58 54.15 1u1l n ASN 50 Cb 0.45 -0.18 0.51 0.00 -0.53 0.00 0.00 39.78 40.02 1u1l n ASN 50 CO 0.00 0.00 0.00 0.35 1.40 0.00 0.00 177.26 179.01 1u1l n THR 51 N -1.50 0.41 -1.07 -0.44 -2.24 -1.21 -4.84 114.28 103.38 1u1l n THR 51 Ca 0.00 0.10 -0.02 0.00 -2.27 0.00 0.00 64.05 61.86 1u1l n THR 51 Cb 0.00 -0.75 -0.01 0.00 -2.10 0.00 0.00 70.33 67.47 1u1l n THR 51 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1u1l n LYS 52 N -1.34 -1.71 -2.42 -0.78 4.76 0.28 -4.93 118.16 112.02 1u1l n LYS 52 Ca 0.09 0.54 -0.39 0.00 -2.87 0.00 0.00 58.31 55.67 1u1l n LYS 52 Cb 0.19 -4.86 -0.04 0.00 -1.84 0.00 0.00 35.03 28.48 1u1l n LYS 52 CO 0.00 0.00 0.00 0.50 -1.37 0.00 0.00 177.40 176.53 1u1l s ARG 53 N -2.01 4.40 0.42 1.97 3.00 -1.25 -4.46 118.95 121.03 1u1l s ARG 53 Ca 0.00 1.79 -0.26 0.00 -1.00 0.00 0.00 55.73 56.27 1u1l s ARG 53 Cb 0.00 -2.95 -0.09 0.00 0.00 0.00 0.00 34.95 31.91 1u1l s ARG 53 CO 0.00 -0.00 1.39 0.45 0.00 0.00 0.00 175.30 177.14 1u1l s SER 54 N -1.03 6.10 0.00 -2.12 0.15 -1.26 1.00 113.70 116.54 1u1l s SER 54 Ca 0.50 2.84 0.16 0.00 0.70 0.00 0.00 55.95 60.15 1u1l s SER 54 Cb -0.31 -2.65 0.47 0.00 -1.71 0.00 0.00 66.02 61.82 1u1l s SER 54 CO 0.39 -1.02 1.38 0.54 1.20 0.00 0.00 173.24 175.73 1u1l n ARG 55 N 0.01 2.00 -1.34 5.44 1.74 0.54 -4.78 116.66 120.28 1u1l n ARG 55 Ca 0.04 -1.55 -0.07 0.00 -0.77 0.00 0.00 57.85 55.51 1u1l n ARG 55 Cb 0.42 -1.37 -0.02 0.00 -1.02 0.00 0.00 32.46 30.47 1u1l n ARG 55 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1u1l n GLY 56 N 1.21 0.76 3.40 -0.13 0.00 -1.26 -5.00 105.19 104.16 1u1l n GLY 56 Ca 0.15 -0.73 -0.12 0.00 0.00 0.00 0.00 46.02 45.32 1u1l n GLY 56 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1u1l s PHE 57 N -2.26 -0.46 0.00 1.61 -0.12 -1.26 -1.38 117.98 114.11 1u1l s PHE 57 Ca 0.00 0.29 0.00 0.00 -0.05 0.00 0.00 56.93 57.17 1u1l s PHE 57 Cb 0.00 0.46 0.00 0.00 -0.63 0.00 0.00 43.02 42.85 1u1l s PHE 57 CO 0.00 -0.78 0.00 0.41 -0.05 0.00 0.00 175.22 174.80 1u1l n GLY 58 N -0.18 2.46 3.01 1.99 0.00 -0.40 -1.66 105.19 110.41 1u1l n GLY 58 Ca -0.17 -1.03 -0.12 0.00 0.00 0.00 0.00 46.02 44.70 1u1l n GLY 58 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1u1l s PHE 59 N -6.95 -0.12 -0.03 1.61 0.40 -0.38 -0.62 117.98 111.90 1u1l s PHE 59 Ca 0.00 0.29 0.05 0.00 -0.60 0.00 0.00 56.93 56.67 1u1l s PHE 59 Cb 0.00 0.04 -0.01 0.00 0.51 0.00 0.00 43.02 43.56 1u1l s PHE 59 CO 0.00 -0.09 -0.18 0.14 0.70 0.00 0.00 175.22 175.79 1u1l s VAL 60 N -0.07 1.49 -0.11 -0.44 -7.23 -0.79 -1.38 120.40 111.88 1u1l s VAL 60 Ca -0.01 -0.77 0.01 0.00 -1.81 0.00 0.00 61.98 59.39 1u1l s VAL 60 Cb -0.02 -1.27 0.02 0.00 0.56 0.00 0.00 36.38 35.68 1u1l s VAL 60 CO 0.00 0.43 -0.13 -0.89 -0.31 0.00 0.00 175.10 174.20 1u1l s THR 61 N -0.16 1.34 0.56 5.32 2.01 -0.20 -0.20 115.64 124.31 1u1l s THR 61 Ca 0.00 -0.54 0.00 0.00 0.31 0.00 0.00 61.69 61.47 1u1l s THR 61 Cb -0.10 -1.25 0.03 0.00 0.01 0.00 0.00 72.50 71.19 1u1l s THR 61 CO 0.01 0.41 0.80 -0.31 -0.69 0.00 0.00 174.62 174.84 1u1l s TYR 62 N 1.12 2.88 -0.03 4.92 1.51 0.10 0.05 117.35 127.91 1u1l s TYR 62 Ca -0.05 0.05 0.20 0.00 -1.01 0.00 0.00 57.07 56.27 1u1l s TYR 62 Cb -0.14 -2.79 0.54 0.00 -0.11 0.00 0.00 41.96 39.46 1u1l s TYR 62 CO -0.03 -0.91 1.66 0.00 -1.11 0.00 0.00 175.55 175.16 1u1l h ALA 63 N 0.01 0.89 -2.69 3.71 0.00 -1.51 -3.42 119.26 116.25 1u1l h ALA 63 Ca -0.42 -0.29 -0.14 0.00 0.00 0.00 0.00 54.91 54.06 1u1l h ALA 63 Cb 1.30 -0.05 -0.19 0.00 0.00 0.00 0.00 17.79 18.85 1u1l h ALA 63 CO 0.53 0.39 -0.53 0.95 0.00 0.00 0.00 179.25 180.59 1u1l s THR 64 N -3.35 0.11 0.36 0.00 -4.23 -1.26 -4.74 115.64 102.52 1u1l s THR 64 Ca 0.02 -0.95 0.19 0.00 -1.18 0.00 0.00 61.69 59.78 1u1l s THR 64 Cb 0.09 -0.67 0.19 0.00 1.34 0.00 0.00 72.50 73.44 1u1l s THR 64 CO 0.68 -0.52 1.92 -0.37 -0.54 0.00 0.00 174.62 175.79 1u1l h VAL 65 N 3.97 0.91 -0.82 2.29 -1.51 -1.88 -2.03 116.25 117.18 1u1l h VAL 65 Ca -0.32 -0.96 0.02 0.00 -1.23 0.00 0.00 66.70 64.21 1u1l h VAL 65 Cb 1.19 1.56 -0.04 0.00 -2.13 0.00 0.00 31.29 31.87 1u1l h VAL 65 CO 0.46 0.25 0.54 -0.08 -1.23 0.00 0.00 177.57 177.51 1u1l h GLU 66 N 0.00 1.04 -0.14 5.19 4.81 -1.95 0.26 114.58 123.78 1u1l h GLU 66 Ca -0.00 -0.06 -0.16 0.00 -0.13 0.00 0.00 59.36 59.01 1u1l h GLU 66 Cb 0.54 -0.23 -0.01 0.00 0.63 0.00 0.00 28.75 29.68 1u1l h GLU 66 CO 0.03 0.69 -0.57 0.93 -0.73 0.00 0.00 179.01 179.36 1u1l h GLU 67 N 1.07 0.44 -0.71 1.92 5.08 -1.66 -2.17 114.58 118.54 1u1l h GLU 67 Ca 0.31 -0.28 -0.04 0.00 -1.00 0.00 0.00 59.36 58.35 1u1l h GLU 67 Cb -0.05 0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.21 1u1l h GLU 67 CO -0.08 0.89 0.30 0.28 -1.00 0.00 0.00 179.01 179.39 1u1l h VAL 68 N 0.33 1.24 -0.40 3.13 2.07 -0.64 -1.53 116.25 120.46 1u1l h VAL 68 Ca 0.00 -0.75 -0.07 0.00 0.82 0.00 0.00 66.70 66.70 1u1l h VAL 68 Cb 1.10 0.41 -0.02 0.00 -1.52 0.00 0.00 31.29 31.26 1u1l h VAL 68 CO 0.10 0.30 -0.04 0.44 0.02 0.00 0.00 177.57 178.40 1u1l h ASP 69 N 1.01 0.63 -0.42 0.57 3.32 -0.39 -1.60 116.42 119.53 1u1l h ASP 69 Ca 0.24 -0.15 -0.04 0.00 0.02 0.00 0.00 57.03 57.10 1u1l h ASP 69 Cb 0.19 -0.17 -0.02 0.00 0.22 0.00 0.00 39.33 39.56 1u1l h ASP 69 CO -0.02 0.72 0.11 0.00 -1.72 0.00 0.00 179.24 178.33 1u1l h ALA 70 N 1.35 0.56 -0.21 3.45 0.00 -0.86 -1.15 119.26 122.40 1u1l h ALA 70 Ca 0.12 -0.19 0.01 0.00 0.00 0.00 0.00 54.91 54.85 1u1l h ALA 70 Cb 0.44 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 1u1l h ALA 70 CO 0.02 0.24 0.11 0.00 0.00 0.00 0.00 179.25 179.62 1u1l h ALA 71 N 0.96 0.25 0.00 0.00 0.00 -0.92 -2.22 119.26 117.34 1u1l h ALA 71 Ca 0.13 -0.00 -0.05 0.00 0.00 0.00 0.00 54.91 55.00 1u1l h ALA 71 Cb 0.31 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 1u1l h ALA 71 CO 0.00 -0.30 -0.22 0.52 0.00 0.00 0.00 179.25 179.26 1u1l h MET 72 N 0.24 0.00 0.00 0.00 2.07 -1.13 -0.19 114.93 115.91 1u1l h MET 72 Ca 0.08 0.00 0.00 0.00 -2.07 0.00 0.00 59.70 57.71 1u1l h MET 72 Cb 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 31.60 29.73 1u1l h MET 72 CO -0.04 0.22 0.00 0.09 1.07 0.00 0.00 176.91 178.24 1u1l n ASN 73 N -3.98 0.00 -0.90 1.22 3.02 -0.45 -3.18 115.26 110.98 1u1l n ASN 73 Ca -0.02 0.11 0.10 0.00 -0.03 0.00 0.00 54.58 54.74 1u1l n ASN 73 Cb 0.30 -0.37 0.26 0.00 -0.61 0.00 0.00 39.78 39.36 1u1l n ASN 73 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1u1l n ALA 74 N -1.37 2.44 -1.68 5.41 0.00 -0.08 -4.95 120.51 120.28 1u1l n ALA 74 Ca 0.11 -0.83 -0.35 0.00 0.00 0.00 0.00 53.44 52.37 1u1l n ALA 74 Cb 0.27 -0.97 0.04 0.00 0.00 0.00 0.00 19.45 18.79 1u1l n ALA 74 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1u1l s ARG 75 N -1.48 2.84 0.39 0.00 0.52 -1.19 -4.39 118.95 115.65 1u1l s ARG 75 Ca 0.35 1.78 -0.24 0.00 -0.52 0.00 0.00 55.73 57.11 1u1l s ARG 75 Cb 0.19 -1.92 -0.09 0.00 0.52 0.00 0.00 34.95 33.65 1u1l s ARG 75 CO 0.26 -1.30 1.01 -2.14 0.02 0.00 0.00 175.30 173.16 1u1l s PRO 76 N -3.47 4.25 -0.23 3.54 0.02 -1.26 -5.14 135.00 132.71 1u1l s PRO 76 Ca 0.76 1.39 -0.08 0.00 0.02 0.00 0.00 61.00 63.10 1u1l s PRO 76 Cb -0.29 -2.51 -0.03 0.00 0.02 0.00 0.00 34.50 31.68 1u1l s PRO 76 CO 0.35 -0.04 0.08 -1.01 -0.33 0.00 0.00 177.00 176.05 1u1l s HIS 77 N -1.75 3.14 -0.25 6.54 3.76 -1.26 -5.07 115.29 120.40 1u1l s HIS 77 Ca 0.57 -0.21 -0.03 0.00 -0.15 0.00 0.00 55.06 55.24 1u1l s HIS 77 Cb -0.19 -2.20 0.01 0.00 1.11 0.00 0.00 32.58 31.31 1u1l s HIS 77 CO 0.24 -0.18 -0.02 0.21 -0.85 0.00 0.00 174.74 174.14 1u1l s LYS 78 N 1.24 3.04 -0.13 1.40 2.20 -1.26 -0.80 119.74 125.42 1u1l s LYS 78 Ca 0.05 -0.86 0.02 0.00 -0.36 0.00 0.00 55.97 54.83 1u1l s LYS 78 Cb -0.14 -3.09 0.00 0.00 -1.51 0.00 0.00 37.83 33.09 1u1l s LYS 78 CO 0.04 -0.36 -0.21 0.08 -0.36 0.00 0.00 175.35 174.54 1u1l s VAL 79 N 1.41 2.20 -1.47 4.02 1.01 0.37 -4.67 120.40 123.28 1u1l s VAL 79 Ca 0.02 -0.94 -0.10 0.00 0.00 0.00 0.00 61.98 60.96 1u1l s VAL 79 Cb -0.16 -1.88 0.05 0.00 0.00 0.00 0.00 36.38 34.39 1u1l s VAL 79 CO -0.02 0.55 0.87 0.47 0.00 0.00 0.00 175.10 176.96 1u1l n ASP 80 N 3.91 -5.23 0.00 3.32 8.00 -1.26 -1.55 116.55 123.73 1u1l n ASP 80 Ca -0.19 -0.57 0.00 0.00 0.71 0.00 0.00 54.79 54.74 1u1l n ASP 80 Cb 0.52 -4.19 0.00 0.00 -0.02 0.00 0.00 41.12 37.43 1u1l n ASP 80 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1u1l n GLY 81 N -1.64 0.88 3.28 0.44 0.00 -1.26 -4.93 105.19 101.96 1u1l n GLY 81 Ca -0.00 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 1u1l n GLY 81 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1u1l s ARG 82 N -0.05 2.78 -0.13 1.61 6.06 -0.59 -5.09 118.95 123.54 1u1l s ARG 82 Ca 0.00 -0.86 -0.29 0.00 -2.50 0.00 0.00 55.73 52.08 1u1l s ARG 82 Cb 0.00 -2.27 -0.02 0.00 0.06 0.00 0.00 34.95 32.72 1u1l s ARG 82 CO 0.00 0.33 1.32 0.08 -2.50 0.00 0.00 175.30 174.52 1u1l s VAL 83 N -0.01 4.15 0.50 7.11 1.01 -1.26 -0.48 120.40 131.42 1u1l s VAL 83 Ca -0.07 1.41 0.07 0.00 0.00 0.00 0.00 61.98 63.39 1u1l s VAL 83 Cb -0.15 -3.91 0.04 0.00 0.00 0.00 0.00 36.38 32.36 1u1l s VAL 83 CO 0.05 -0.10 0.68 0.68 0.00 0.00 0.00 175.10 176.41 1u1l s VAL 84 N 3.37 2.68 -0.45 2.92 -7.23 0.02 -4.91 120.40 116.80 1u1l s VAL 84 Ca 0.58 -0.93 0.03 0.00 -1.81 0.00 0.00 61.98 59.84 1u1l s VAL 84 Cb -0.24 -2.75 0.13 0.00 0.56 0.00 0.00 36.38 34.08 1u1l s VAL 84 CO 0.18 0.00 0.21 -0.70 -0.31 0.00 0.00 175.10 174.48 1u1l s GLU 85 N -4.53 1.54 0.26 4.82 2.12 0.22 -4.52 118.70 118.61 1u1l s GLU 85 Ca 0.58 -2.16 -0.30 0.00 0.36 0.00 0.00 54.97 53.45 1u1l s GLU 85 Cb -0.09 -2.82 -0.09 0.00 0.26 0.00 0.00 34.13 31.40 1u1l s GLU 85 CO 0.36 -1.10 1.12 -2.14 -0.54 0.00 0.00 175.26 172.96 1u1l s PRO 86 N 0.27 4.61 -0.00 4.30 0.02 -1.26 -1.72 135.00 141.22 1u1l s PRO 86 Ca 0.16 1.82 -0.10 0.00 0.02 0.00 0.00 61.00 62.90 1u1l s PRO 86 Cb -0.24 -3.20 0.01 0.00 0.02 0.00 0.00 34.50 31.09 1u1l s PRO 86 CO -0.03 0.15 0.19 0.15 -0.33 0.00 0.00 177.00 177.14 1u1l s LYS 87 N -1.22 0.54 0.29 5.54 1.02 0.43 -4.97 119.74 121.36 1u1l s LYS 87 Ca 0.46 -0.34 -0.30 0.00 0.02 0.00 0.00 55.97 55.81 1u1l s LYS 87 Cb -0.32 0.23 -0.12 0.00 -0.52 0.00 0.00 37.83 37.10 1u1l s LYS 87 CO 0.40 -0.14 1.46 0.54 -0.92 0.00 0.00 175.35 176.70 1u1l n ARG 88 N 1.38 2.34 -2.22 1.68 5.12 -1.26 0.15 116.66 123.86 1u1l n ARG 88 Ca -0.22 0.83 -0.43 0.00 -1.93 0.00 0.00 57.85 56.10 1u1l n ARG 88 Cb 0.56 -2.53 -0.02 0.00 -1.16 0.00 0.00 32.46 29.31 1u1l n ARG 88 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1u1l s ALA 89 N -0.29 3.63 -0.09 7.54 0.00 -0.77 -4.56 121.76 127.22 1u1l s ALA 89 Ca 0.63 0.68 -0.20 0.00 0.00 0.00 0.00 51.96 53.08 1u1l s ALA 89 Cb -0.57 -3.69 -0.04 0.00 0.00 0.00 0.00 23.12 18.82 1u1l s ALA 89 CO 0.52 -1.31 0.55 0.08 0.00 0.00 0.00 175.76 175.60 1u1l s VAL 90 N 3.82 5.11 0.76 0.00 1.01 -1.26 -4.89 120.40 124.96 1u1l s VAL 90 Ca 0.64 1.11 -0.15 0.00 0.00 0.00 0.00 61.98 63.59 1u1l s VAL 90 Cb -0.27 -3.89 0.03 0.00 0.00 0.00 0.00 36.38 32.25 1u1l s VAL 90 CO 0.22 0.32 1.00 -1.54 0.00 0.00 0.00 175.10 175.11 1u1l n SER 91 N 3.54 0.48 -0.35 3.32 3.41 -1.26 -4.66 113.62 118.09 1u1l n SER 91 Ca -0.06 0.62 0.06 0.00 -0.26 0.00 0.00 58.87 59.23 1u1l n SER 91 Cb 0.51 -1.42 0.23 0.00 -0.26 0.00 0.00 64.21 63.27 1u1l n SER 91 CO 0.00 0.00 0.00 0.03 -0.16 0.00 0.00 175.04 174.91 1u1l h ARG 92 N -0.53 1.01 0.03 4.33 3.08 -1.98 0.13 114.38 120.46 1u1l h ARG 92 Ca -0.47 -0.06 -0.00 0.00 0.07 0.00 0.00 59.98 59.52 1u1l h ARG 92 Cb 1.32 -0.23 0.00 0.00 0.08 0.00 0.00 29.97 31.14 1u1l h ARG 92 CO 0.46 0.67 -0.01 1.49 -1.07 0.00 0.00 179.97 181.50 1u1l h GLU 93 N 1.04 -0.04 0.00 0.04 4.81 -2.03 -3.01 114.58 115.39 1u1l h GLU 93 Ca 0.46 0.00 -0.04 0.00 -0.13 0.00 0.00 59.36 59.65 1u1l h GLU 93 Cb 0.37 0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.75 1u1l h GLU 93 CO -0.22 0.08 -0.21 -0.44 -0.73 0.00 0.00 179.01 177.49 1u1l h ASP 94 N -0.15 0.00 0.16 1.04 3.32 -1.73 -2.79 116.42 116.28 1u1l h ASP 94 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1u1l h ASP 94 Cb 0.13 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.68 1u1l h ASP 94 CO 0.01 0.21 0.00 -1.20 -1.72 0.00 0.00 179.24 176.54 1u1l n SER 95 N -3.30 0.00 0.09 6.45 7.64 0.40 -1.52 113.62 123.38 1u1l n SER 95 Ca 0.01 0.04 0.01 0.00 1.01 0.00 0.00 58.87 59.94 1u1l n SER 95 Cb 0.46 -0.23 -0.03 0.00 -1.01 0.00 0.00 64.21 63.40 1u1l n SER 95 CO 0.00 0.00 0.00 -0.61 -3.01 0.00 0.00 175.04 171.42 1u1l h GLN 96 N 0.00 0.00 -6.80 1.43 5.75 -1.54 -3.46 115.11 110.49 1u1l h GLN 96 Ca 0.00 0.00 -0.50 0.00 -0.15 0.00 0.00 58.65 58.00 1u1l h GLN 96 Cb 0.08 0.00 0.00 0.00 1.07 0.00 0.00 27.48 28.63 1u1l h GLN 96 CO 0.00 0.46 0.43 1.03 -2.65 0.00 0.00 178.83 178.10 1u1l s ARG 97 N -2.92 4.69 0.11 1.69 1.81 -0.57 -4.97 118.95 118.79 1u1l s ARG 97 Ca 0.01 1.67 -0.36 0.00 -1.72 0.00 0.00 55.73 55.33 1u1l s ARG 97 Cb 0.08 -3.18 -0.15 0.00 -0.45 0.00 0.00 34.95 31.25 1u1l s ARG 97 CO 0.78 0.30 1.45 -2.30 -0.68 0.00 0.00 175.30 174.85 1u1l n PRO 98 N 1.22 1.56 -1.25 3.54 -0.02 -1.26 -1.84 135.00 136.95 1u1l n PRO 98 Ca -0.01 0.56 -0.09 0.00 -2.02 0.00 0.00 63.50 61.95 1u1l n PRO 98 Cb 0.46 -2.26 -0.04 0.00 -0.02 0.00 0.00 33.50 31.64 1u1l n PRO 98 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1u1l n GLY 99 N 2.94 0.98 0.30 -1.23 0.00 -1.26 -4.88 105.19 102.03 1u1l n GLY 99 Ca 0.18 -0.26 0.17 0.00 0.00 0.00 0.00 46.02 46.11 1u1l n GLY 99 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1u1l h ALA 100 N 0.00 1.30 -0.53 4.61 0.00 -1.66 -2.52 119.26 120.46 1u1l h ALA 100 Ca -0.18 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.70 1u1l h ALA 100 Cb 0.79 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.58 1u1l h ALA 100 CO 0.26 0.04 0.00 0.72 0.00 0.00 0.00 179.25 180.27 1u1l n HIS 101 N -3.55 0.70 -2.34 0.00 8.25 -1.26 -5.00 115.22 112.02 1u1l n HIS 101 Ca -0.02 -0.48 -0.36 0.00 -0.26 0.00 0.00 57.72 56.60 1u1l n HIS 101 Cb 0.13 -0.01 -0.01 0.00 1.12 0.00 0.00 29.99 31.21 1u1l n HIS 101 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 1u1l s LEU 102 N -1.02 3.90 -0.56 2.41 1.43 -0.95 -4.98 118.68 118.90 1u1l s LEU 102 Ca 0.36 2.16 -0.20 0.00 -1.03 0.00 0.00 54.13 55.42 1u1l s LEU 102 Cb 0.19 -4.42 0.08 0.00 0.03 0.00 0.00 46.19 42.06 1u1l s LEU 102 CO 0.25 -0.96 0.72 -0.89 0.23 0.00 0.00 176.35 175.70 1u1l s THR 103 N -1.72 4.75 0.11 5.49 2.01 -1.26 -5.02 115.64 120.00 1u1l s THR 103 Ca 0.67 -0.61 0.04 0.00 0.31 0.00 0.00 61.69 62.10 1u1l s THR 103 Cb -0.24 -4.44 -0.04 0.00 0.01 0.00 0.00 72.50 67.80 1u1l s THR 103 CO 0.28 -1.03 -0.10 0.68 -0.69 0.00 0.00 174.62 173.76 1u1l s VAL 104 N 2.92 0.99 -0.89 3.82 -7.23 -1.26 -5.05 120.40 113.70 1u1l s VAL 104 Ca 0.16 -1.74 0.12 0.00 -1.81 0.00 0.00 61.98 58.71 1u1l s VAL 104 Cb -0.20 -1.48 -0.04 0.00 0.56 0.00 0.00 36.38 35.22 1u1l s VAL 104 CO 0.10 -0.60 0.62 0.29 -0.31 0.00 0.00 175.10 175.20 1u1l n LYS 105 N 0.39 2.42 -4.87 4.82 5.02 -1.26 -4.43 118.16 120.25 1u1l n LYS 105 Ca -0.15 -0.44 -0.32 0.00 -2.02 0.00 0.00 58.31 55.38 1u1l n LYS 105 Cb 0.58 -1.10 -0.13 0.00 -0.02 0.00 0.00 35.03 34.36 1u1l n LYS 105 CO 0.00 0.00 0.00 0.21 -0.52 0.00 0.00 177.40 177.09 1u1l s LYS 106 N -1.70 2.44 0.11 1.97 2.20 -1.26 0.74 119.74 124.24 1u1l s LYS 106 Ca 0.08 -0.74 0.10 0.00 -0.36 0.00 0.00 55.97 55.06 1u1l s LYS 106 Cb 0.09 -2.35 -0.04 0.00 -1.51 0.00 0.00 37.83 34.03 1u1l s LYS 106 CO 0.35 0.61 -0.26 0.96 -0.36 0.00 0.00 175.35 176.65 1u1l s ILE 107 N -0.76 2.19 -0.14 5.43 -4.36 -0.29 -1.49 121.20 121.77 1u1l s ILE 107 Ca 0.12 -1.67 -0.16 0.00 -0.26 0.00 0.00 60.65 58.68 1u1l s ILE 107 Cb -0.11 -1.93 -0.04 0.00 1.25 0.00 0.00 42.46 41.63 1u1l s ILE 107 CO 0.01 0.12 0.38 0.12 0.24 0.00 0.00 174.94 175.82 1u1l s PHE 108 N -1.02 3.48 -0.27 1.37 5.36 0.37 -1.98 117.98 125.29 1u1l s PHE 108 Ca 0.13 0.72 0.03 0.00 -0.96 0.00 0.00 56.93 56.85 1u1l s PHE 108 Cb -0.10 -2.44 0.07 0.00 -0.34 0.00 0.00 43.02 40.20 1u1l s PHE 108 CO 0.05 0.19 -0.08 0.08 -1.46 0.00 0.00 175.22 174.01 1u1l s VAL 109 N 0.58 2.08 0.06 3.12 1.01 0.30 -1.25 120.40 126.30 1u1l s VAL 109 Ca 0.21 -1.68 0.07 0.00 0.00 0.00 0.00 61.98 60.58 1u1l s VAL 109 Cb -0.14 -2.26 -0.03 0.00 0.00 0.00 0.00 36.38 33.95 1u1l s VAL 109 CO 0.07 -0.13 -0.17 -0.83 0.00 0.00 0.00 175.10 174.04 1u1l s GLY 110 N 1.12 1.61 0.00 4.51 0.00 0.00 -0.04 107.32 114.52 1u1l s GLY 110 Ca -0.05 -1.22 0.00 0.00 0.00 0.00 0.00 44.72 43.45 1u1l s GLY 110 CO -0.06 -1.13 0.00 0.61 0.00 0.00 0.00 173.10 172.52 1u1l n GLY 111 N 1.37 1.37 3.80 0.20 0.00 -0.15 -1.22 105.19 110.55 1u1l n GLY 111 Ca -0.16 -0.17 -0.38 0.00 0.00 0.00 0.00 46.02 45.30 1u1l n GLY 111 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1u1l s ILE 112 N -2.00 4.64 0.90 -0.61 -4.36 -1.01 -4.79 121.20 113.97 1u1l s ILE 112 Ca 0.00 1.32 -0.11 0.00 -0.26 0.00 0.00 60.65 61.59 1u1l s ILE 112 Cb 0.00 -3.94 0.11 0.00 1.25 0.00 0.00 42.46 39.87 1u1l s ILE 112 CO 0.00 0.50 0.97 0.29 0.24 0.00 0.00 174.94 176.93 1u1l n LYS 113 N 1.54 -0.29 -0.32 0.37 5.02 -1.26 -4.51 118.16 118.71 1u1l n LYS 113 Ca -0.08 -0.02 -0.01 0.00 -2.02 0.00 0.00 58.31 56.18 1u1l n LYS 113 Cb 0.50 -2.25 0.12 0.00 -0.02 0.00 0.00 35.03 33.39 1u1l n LYS 113 CO 0.00 0.00 0.00 0.93 -0.52 0.00 0.00 177.40 177.81 1u1l h GLU 114 N -1.60 1.05 -0.94 1.97 4.39 -1.96 -2.12 114.58 115.37 1u1l h GLU 114 Ca -0.44 -0.06 -0.03 0.00 0.34 0.00 0.00 59.36 59.17 1u1l h GLU 114 Cb 1.28 -0.24 -0.02 0.00 -0.10 0.00 0.00 28.75 29.68 1u1l h GLU 114 CO 0.40 0.69 0.04 -0.40 -1.16 0.00 0.00 179.01 178.58 1u1l n ASP 115 N -4.55 2.30 -4.69 1.42 5.75 -1.26 -4.88 116.55 110.63 1u1l n ASP 115 Ca 0.12 -2.23 -0.42 0.00 -0.01 0.00 0.00 54.79 52.24 1u1l n ASP 115 Cb 0.11 -0.55 -0.03 0.00 -1.03 0.00 0.00 41.12 39.63 1u1l n ASP 115 CO 0.00 0.00 0.00 -0.89 -0.11 0.00 0.00 177.20 176.20 1u1l s THR 116 N -1.18 4.39 0.30 2.12 2.01 -0.80 -5.04 115.64 117.45 1u1l s THR 116 Ca 0.11 1.71 0.10 0.00 0.31 0.00 0.00 61.69 63.92 1u1l s THR 116 Cb 0.09 -4.10 -0.05 0.00 0.01 0.00 0.00 72.50 68.46 1u1l s THR 116 CO 0.03 0.04 -0.01 -1.61 -0.69 0.00 0.00 174.62 172.38 1u1l s GLU 117 N 1.82 2.16 0.36 4.92 2.02 -1.26 -5.04 118.70 123.68 1u1l s GLU 117 Ca 0.54 -1.58 0.09 0.00 0.02 0.00 0.00 54.97 54.04 1u1l s GLU 117 Cb -0.24 -2.04 0.82 0.00 0.10 0.00 0.00 34.13 32.77 1u1l s GLU 117 CO 0.23 0.26 1.89 0.93 0.02 0.00 0.00 175.26 178.59 1u1l h GLU 118 N 1.87 0.66 0.00 1.61 5.08 -1.99 0.39 114.58 122.20 1u1l h GLU 118 Ca -0.43 -0.04 -0.01 0.00 -1.00 0.00 0.00 59.36 57.87 1u1l h GLU 118 Cb 1.25 -0.15 -0.00 0.00 0.50 0.00 0.00 28.75 30.35 1u1l h GLU 118 CO 0.63 0.44 -0.07 1.12 -1.00 0.00 0.00 179.01 180.13 1u1l h HIS 119 N 0.68 0.00 -0.31 4.33 2.07 -1.99 -1.16 115.15 118.77 1u1l h HIS 119 Ca 0.42 0.00 -0.04 0.00 -2.85 0.00 0.00 60.37 57.90 1u1l h HIS 119 Cb 0.66 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 30.63 1u1l h HIS 119 CO -0.00 0.07 0.02 0.45 -3.07 0.00 0.00 177.93 175.40 1u1l h HIS 120 N 0.00 0.57 -0.34 6.12 3.86 -1.32 -1.76 115.15 122.28 1u1l h HIS 120 Ca -0.00 -0.09 -0.02 0.00 -1.16 0.00 0.00 60.37 59.10 1u1l h HIS 120 Cb 0.14 -0.15 -0.01 0.00 1.06 0.00 0.00 27.41 28.44 1u1l h HIS 120 CO 0.00 0.64 0.13 -0.07 0.86 0.00 0.00 177.93 179.49 1u1l h LEU 121 N 0.34 0.48 -0.64 2.43 3.38 -1.24 -3.08 115.31 116.98 1u1l h LEU 121 Ca 0.09 -0.18 0.00 0.00 0.09 0.00 0.00 57.88 57.89 1u1l h LEU 121 Cb 0.40 -0.12 -0.03 0.00 0.09 0.00 0.00 40.66 40.99 1u1l h LEU 121 CO 0.01 0.52 0.42 0.03 0.09 0.00 0.00 178.44 179.51 1u1l h ARG 122 N 0.41 0.85 0.00 1.13 3.08 -1.16 0.11 114.38 118.79 1u1l h ARG 122 Ca 0.11 -0.06 0.00 0.00 0.07 0.00 0.00 59.98 60.11 1u1l h ARG 122 Cb 0.20 -0.19 0.00 0.00 0.08 0.00 0.00 29.97 30.06 1u1l h ARG 122 CO -0.01 0.57 0.01 -0.44 -1.07 0.00 0.00 179.97 179.03 1u1l h ASP 123 N 0.87 0.00 0.00 7.04 5.19 -1.22 -1.03 116.42 127.26 1u1l h ASP 123 Ca 0.23 0.00 -0.32 0.00 -0.62 0.00 0.00 57.03 56.32 1u1l h ASP 123 Cb -0.08 0.00 -0.05 0.00 0.18 0.00 0.00 39.33 39.37 1u1l h ASP 123 CO -0.05 0.00 -2.16 0.00 -3.12 0.00 0.00 179.24 173.91 1u1l n TYR 124 N -3.03 0.00 0.07 4.55 9.36 -0.92 -4.76 117.16 122.43 1u1l n TYR 124 Ca -0.03 0.00 -0.04 0.00 3.32 0.00 0.00 57.90 61.15 1u1l n TYR 124 Cb 0.07 -0.77 -0.08 0.00 -0.63 0.00 0.00 39.34 37.93 1u1l n TYR 124 CO 0.00 0.00 0.00 0.74 0.22 0.00 0.00 176.86 177.82 1u1l h PHE 125 N -0.26 0.00 -0.39 2.98 0.04 -0.65 -3.34 116.94 115.32 1u1l h PHE 125 Ca -0.48 0.00 0.11 0.00 2.80 0.00 0.00 57.97 60.40 1u1l h PHE 125 Cb 1.62 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 39.76 1u1l h PHE 125 CO -0.01 0.83 0.29 0.93 -0.60 0.00 0.00 178.31 179.75 1u1l h GLU 126 N 0.00 0.00 0.00 1.51 5.08 -1.39 -0.45 114.58 119.33 1u1l h GLU 126 Ca -0.06 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.30 1u1l h GLU 126 Cb 1.68 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.93 1u1l h GLU 126 CO 0.10 0.00 0.00 1.96 -1.00 0.00 0.00 179.01 180.07 1u1l h GLN 127 N 0.00 0.00 0.00 2.33 4.20 -1.80 -2.30 115.11 117.54 1u1l h GLN 127 Ca 0.19 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.90 1u1l h GLN 127 Cb 0.76 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.54 1u1l h GLN 127 CO -0.00 0.00 -1.42 0.66 -0.67 0.00 0.00 178.83 177.40 1u1l n TYR 128 N -2.44 0.46 0.00 2.96 4.02 -0.18 -5.07 117.16 116.92 1u1l n TYR 128 Ca -0.02 0.13 0.00 0.00 -0.01 0.00 0.00 57.90 58.01 1u1l n TYR 128 Cb 0.05 -0.69 0.00 0.00 -0.02 0.00 0.00 39.34 38.69 1u1l n TYR 128 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1u1l n GLY 129 N 1.24 -0.27 3.70 2.72 0.00 -0.87 -4.51 105.19 107.20 1u1l n GLY 129 Ca -0.01 -1.24 -0.42 0.00 0.00 0.00 0.00 46.02 44.34 1u1l n GLY 129 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1u1l s LYS 130 N -2.00 4.24 -0.10 1.61 2.47 -1.26 -4.56 119.74 120.13 1u1l s LYS 130 Ca 0.00 2.21 -0.16 0.00 -1.56 0.00 0.00 55.97 56.46 1u1l s LYS 130 Cb 0.00 -3.49 -0.05 0.00 -1.46 0.00 0.00 37.83 32.83 1u1l s LYS 130 CO 0.00 -0.64 0.42 0.42 0.16 0.00 0.00 175.35 175.71 1u1l s ILE 131 N 2.19 5.17 -0.25 5.43 1.01 -1.26 -1.41 121.20 132.08 1u1l s ILE 131 Ca 0.70 0.83 0.01 0.00 0.00 0.00 0.00 60.65 62.19 1u1l s ILE 131 Cb -0.38 -3.75 -0.16 0.00 0.01 0.00 0.00 42.46 38.19 1u1l s ILE 131 CO 0.30 0.41 -0.22 -0.62 0.00 0.00 0.00 174.94 174.81 1u1l n GLU 132 N 3.15 0.61 -3.81 2.79 -0.58 0.14 -4.90 120.64 118.04 1u1l n GLU 132 Ca -0.10 0.15 -0.12 0.00 -0.42 0.00 0.00 57.16 56.66 1u1l n GLU 132 Cb 0.52 -1.49 -0.11 0.00 -0.57 0.00 0.00 31.44 29.79 1u1l n GLU 132 CO 0.00 0.00 0.00 0.08 -0.48 0.00 0.00 177.13 176.73 1u1l s VAL 133 N -2.49 0.03 -0.07 2.62 1.01 -1.00 -4.98 120.40 115.51 1u1l s VAL 133 Ca -0.33 -0.22 0.01 0.00 0.00 0.00 0.00 61.98 61.44 1u1l s VAL 133 Cb 0.09 -0.37 0.02 0.00 0.00 0.00 0.00 36.38 36.12 1u1l s VAL 133 CO 0.56 -0.12 -0.08 -0.63 0.00 0.00 0.00 175.10 174.83 1u1l s ILE 134 N -0.40 0.92 -0.27 2.22 1.01 -1.26 -0.28 121.20 123.13 1u1l s ILE 134 Ca -0.05 -0.30 -0.01 0.00 0.00 0.00 0.00 60.65 60.28 1u1l s ILE 134 Cb -0.03 -0.90 0.08 0.00 0.01 0.00 0.00 42.46 41.62 1u1l s ILE 134 CO 0.01 0.32 0.06 -1.61 0.00 0.00 0.00 174.94 173.73 1u1l s GLU 135 N 1.10 0.78 -0.47 2.79 2.02 0.73 -4.99 118.70 120.66 1u1l s GLU 135 Ca -0.07 -0.86 -0.23 0.00 0.02 0.00 0.00 54.97 53.83 1u1l s GLU 135 Cb -0.14 -2.07 0.03 0.00 0.10 0.00 0.00 34.13 32.05 1u1l s GLU 135 CO -0.01 -0.84 0.80 0.42 0.02 0.00 0.00 175.26 175.65 1u1l s ILE 136 N 1.68 4.62 0.27 -1.63 1.01 -1.26 -0.92 121.20 124.96 1u1l s ILE 136 Ca 0.05 0.33 -0.29 0.00 0.00 0.00 0.00 60.65 60.74 1u1l s ILE 136 Cb -0.17 -4.36 -0.10 0.00 0.01 0.00 0.00 42.46 37.84 1u1l s ILE 136 CO -0.18 -0.80 1.26 -0.04 0.00 0.00 0.00 174.94 175.18 1u1l s MET 137 N 3.36 4.43 0.08 2.79 -1.94 -0.70 -5.01 119.30 122.32 1u1l s MET 137 Ca 0.29 2.06 0.01 0.00 -1.71 0.00 0.00 55.69 56.34 1u1l s MET 137 Cb -0.13 -3.14 -0.04 0.00 2.01 0.00 0.00 34.83 33.53 1u1l s MET 137 CO 0.21 -0.12 -0.05 0.95 -0.01 0.00 0.00 175.02 176.00 1u1l s THR 138 N -0.67 0.55 0.05 2.05 -4.23 -1.26 -2.04 115.64 110.09 1u1l s THR 138 Ca 0.51 -1.88 -0.30 0.00 -1.18 0.00 0.00 61.69 58.83 1u1l s THR 138 Cb -0.37 -1.61 -0.05 0.00 1.34 0.00 0.00 72.50 71.81 1u1l s THR 138 CO 0.45 -0.90 1.21 -0.62 -0.54 0.00 0.00 174.62 174.22 1u1l s ASP 139 N -2.98 7.06 -1.08 3.99 -1.08 0.57 -4.88 116.67 118.28 1u1l s ASP 139 Ca 0.10 2.00 -0.22 0.00 -0.52 0.00 0.00 52.55 53.91 1u1l s ASP 139 Cb 0.06 -2.58 0.02 0.00 -1.46 0.00 0.00 42.92 38.96 1u1l s ASP 139 CO -0.06 -0.50 1.69 0.00 0.52 0.00 0.00 175.17 176.82 1u1l s ARG 140 N 1.26 3.32 0.00 4.34 1.70 -1.26 -1.34 118.95 126.96 1u1l s ARG 140 Ca 0.59 -1.14 0.00 0.00 -0.47 0.00 0.00 55.73 54.71 1u1l s ARG 140 Cb -0.29 -5.32 0.00 0.00 -0.57 0.00 0.00 34.95 28.77 1u1l s ARG 140 CO 0.28 -2.70 0.00 0.41 -1.08 0.00 0.00 175.30 172.21 1u1l n GLY 141 N 6.41 1.80 0.09 3.88 0.00 -1.26 -4.91 105.19 111.20 1u1l n GLY 141 Ca 0.40 -0.16 0.04 0.00 0.00 0.00 0.00 46.02 46.29 1u1l n GLY 141 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1u1l n SER 142 N 0.00 0.74 0.00 1.61 3.41 -1.23 -4.95 113.62 113.20 1u1l n SER 142 Ca 0.00 0.31 0.00 0.00 -0.26 0.00 0.00 58.87 58.92 1u1l n SER 142 Cb 0.00 0.43 0.00 0.00 -0.26 0.00 0.00 64.21 64.38 1u1l n SER 142 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1u1l n GLY 143 N 1.34 0.72 3.77 5.00 0.00 -0.45 -5.00 105.19 110.56 1u1l n GLY 143 Ca -0.08 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.56 1u1l n GLY 143 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1u1l s LYS 144 N -0.08 3.78 0.03 1.61 -0.14 -1.26 -4.64 119.74 119.04 1u1l s LYS 144 Ca 0.00 2.00 -0.30 0.00 -1.36 0.00 0.00 55.97 56.31 1u1l s LYS 144 Cb 0.00 -2.55 -0.05 0.00 -1.68 0.00 0.00 37.83 33.55 1u1l s LYS 144 CO 0.00 -0.60 1.14 0.15 -0.76 0.00 0.00 175.35 175.28 1u1l s LYS 145 N -2.50 4.45 0.00 1.68 3.01 -1.26 -0.31 119.74 124.81 1u1l s LYS 145 Ca 0.61 1.66 0.27 0.00 -1.01 0.00 0.00 55.97 57.50 1u1l s LYS 145 Cb -0.34 -3.41 0.81 0.00 -1.01 0.00 0.00 37.83 33.88 1u1l s LYS 145 CO 0.43 -0.24 1.60 0.54 0.51 0.00 0.00 175.35 178.19 1u1l n ARG 146 N 4.13 0.77 -1.24 1.68 1.74 -0.86 -4.90 116.66 117.98 1u1l n ARG 146 Ca 0.09 -0.43 0.00 0.00 -0.77 0.00 0.00 57.85 56.73 1u1l n ARG 146 Cb 0.47 -1.49 0.00 0.00 -1.02 0.00 0.00 32.46 30.42 1u1l n ARG 146 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1u1l n GLY 147 N 1.34 0.49 3.39 -0.13 0.00 -1.26 -4.98 105.19 104.04 1u1l n GLY 147 Ca 0.12 -0.91 -0.12 0.00 0.00 0.00 0.00 46.02 45.11 1u1l n GLY 147 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1u1l s PHE 148 N -2.00 -0.43 0.21 1.61 -0.12 -1.26 -0.98 117.98 115.00 1u1l s PHE 148 Ca 0.00 0.27 -0.01 0.00 -0.05 0.00 0.00 56.93 57.14 1u1l s PHE 148 Cb 0.00 0.43 -0.04 0.00 -0.63 0.00 0.00 43.02 42.78 1u1l s PHE 148 CO 0.00 -0.76 0.15 0.00 -0.05 0.00 0.00 175.22 174.56 1u1l s ALA 149 N -3.38 1.16 -0.04 1.99 0.00 0.94 -1.71 121.76 120.71 1u1l s ALA 149 Ca -0.00 -1.69 0.04 0.00 0.00 0.00 0.00 51.96 50.31 1u1l s ALA 149 Cb -0.00 1.38 -0.00 0.00 0.00 0.00 0.00 23.12 24.50 1u1l s ALA 149 CO -0.09 -0.60 -0.17 -0.06 0.00 0.00 0.00 175.76 174.84 1u1l s PHE 150 N -4.13 1.67 -0.10 0.00 0.08 -0.10 -0.54 117.98 114.87 1u1l s PHE 150 Ca 0.39 -0.45 -0.00 0.00 0.12 0.00 0.00 56.93 56.98 1u1l s PHE 150 Cb 0.07 -1.12 0.02 0.00 -0.57 0.00 0.00 43.02 41.42 1u1l s PHE 150 CO 0.13 -0.14 -0.06 0.08 -0.10 0.00 0.00 175.22 175.12 1u1l s VAL 151 N -0.03 0.87 -0.17 -0.44 1.01 -0.84 -0.19 120.40 120.61 1u1l s VAL 151 Ca -0.02 -0.21 -0.06 0.00 0.00 0.00 0.00 61.98 61.69 1u1l s VAL 151 Cb -0.11 -0.91 -0.04 0.00 0.00 0.00 0.00 36.38 35.33 1u1l s VAL 151 CO 0.02 0.34 0.04 -0.89 0.00 0.00 0.00 175.10 174.60 1u1l s THR 152 N 1.61 4.61 0.49 3.92 2.01 0.61 -1.14 115.64 127.76 1u1l s THR 152 Ca 0.02 -0.10 0.08 0.00 0.31 0.00 0.00 61.69 62.00 1u1l s THR 152 Cb -0.13 -3.06 0.03 0.00 0.01 0.00 0.00 72.50 69.35 1u1l s THR 152 CO -0.06 0.48 0.55 -0.36 -0.69 0.00 0.00 174.62 174.54 1u1l s PHE 153 N 0.27 2.08 -0.16 4.92 0.40 0.23 0.26 117.98 125.97 1u1l s PHE 153 Ca 0.02 -0.63 0.18 0.00 -0.60 0.00 0.00 56.93 55.91 1u1l s PHE 153 Cb -0.13 -2.16 -0.05 0.00 0.51 0.00 0.00 43.02 41.19 1u1l s PHE 153 CO 0.01 -0.58 1.04 0.22 0.70 0.00 0.00 175.22 176.61 1u1l h ASP 154 N 0.63 0.00 -3.44 1.36 -0.00 -1.53 -3.43 116.42 110.01 1u1l h ASP 154 Ca -0.36 0.00 -0.47 0.00 -0.00 0.00 0.00 57.03 56.20 1u1l h ASP 154 Cb 1.28 0.00 -0.34 0.00 -0.00 0.00 0.00 39.33 40.28 1u1l h ASP 154 CO 0.50 0.43 -0.80 -0.62 -0.00 0.00 0.00 179.24 178.75 1u1l s ASP 155 N -5.87 1.41 0.61 2.28 2.15 -1.26 -5.02 116.67 110.97 1u1l s ASP 155 Ca -0.00 -0.23 0.33 0.00 0.43 0.00 0.00 52.55 53.08 1u1l s ASP 155 Cb 0.08 -0.67 1.95 0.00 -0.30 0.00 0.00 42.92 43.98 1u1l s ASP 155 CO 0.79 -0.00 2.28 1.12 -0.17 0.00 0.00 175.17 179.19 1u1l h HIS 156 N 7.04 0.00 0.00 -5.34 2.07 -1.89 -0.80 115.15 116.23 1u1l h HIS 156 Ca -0.34 0.00 -0.06 0.00 -2.85 0.00 0.00 60.37 57.12 1u1l h HIS 156 Cb 1.17 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 31.14 1u1l h HIS 156 CO 0.49 0.00 -0.29 0.22 -3.07 0.00 0.00 177.93 175.28 1u1l h ASP 157 N 0.00 0.00 -0.17 3.10 3.58 -1.95 -1.79 116.42 119.20 1u1l h ASP 157 Ca -0.00 0.00 -0.00 0.00 0.42 0.00 0.00 57.03 57.45 1u1l h ASP 157 Cb 0.00 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.05 1u1l h ASP 157 CO 0.00 0.29 0.08 0.28 -2.88 0.00 0.00 179.24 177.02 1u1l h SER 158 N 0.00 0.21 -0.67 2.28 0.02 -1.37 0.58 113.55 114.60 1u1l h SER 158 Ca -0.00 -0.10 -0.01 0.00 -0.84 0.00 0.00 61.79 60.83 1u1l h SER 158 Cb 0.65 -0.05 -0.03 0.00 0.14 0.00 0.00 62.40 63.10 1u1l h SER 158 CO 0.04 0.26 0.36 0.58 -1.14 0.00 0.00 176.83 176.93 1u1l h VAL 159 N 0.15 1.21 -0.43 2.27 2.07 -1.57 -2.31 116.25 117.65 1u1l h VAL 159 Ca 0.06 -0.54 -0.04 0.00 0.82 0.00 0.00 66.70 66.99 1u1l h VAL 159 Cb 0.10 0.34 -0.02 0.00 -1.52 0.00 0.00 31.29 30.19 1u1l h VAL 159 CO -0.01 0.24 0.12 0.44 0.02 0.00 0.00 177.57 178.37 1u1l h ASP 160 N 0.92 0.64 -0.20 0.57 3.32 -0.98 -0.72 116.42 119.97 1u1l h ASP 160 Ca 0.24 -0.22 0.05 0.00 0.02 0.00 0.00 57.03 57.11 1u1l h ASP 160 Cb 0.05 -0.17 -0.01 0.00 0.22 0.00 0.00 39.33 39.43 1u1l h ASP 160 CO -0.04 0.69 0.14 0.11 -1.72 0.00 0.00 179.24 178.42 1u1l h LYS 161 N 0.55 0.05 0.07 3.56 1.57 -0.71 -2.86 116.57 118.81 1u1l h LYS 161 Ca 0.14 -0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.91 1u1l h LYS 161 Cb 0.29 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.59 1u1l h LYS 161 CO -0.00 0.03 -0.03 0.82 -0.57 0.00 0.00 179.45 179.70 1u1l h ILE 162 N 0.05 0.51 0.00 1.86 2.04 -0.84 -3.36 117.51 117.77 1u1l h ILE 162 Ca 0.09 -1.26 -0.00 0.00 1.00 0.00 0.00 64.86 64.69 1u1l h ILE 162 Cb 0.30 0.93 -0.00 0.00 -0.74 0.00 0.00 36.82 37.31 1u1l h ILE 162 CO -0.01 0.16 -0.00 -0.37 0.00 0.00 0.00 178.15 177.94 1u1l h VAL 163 N -1.00 0.05 0.00 1.67 -1.51 -1.09 -1.85 116.25 112.53 1u1l h VAL 163 Ca -0.01 -0.02 -0.02 0.00 -1.23 0.00 0.00 66.70 65.42 1u1l h VAL 163 Cb 0.34 1.01 -0.00 0.00 -2.13 0.00 0.00 31.29 30.51 1u1l h VAL 163 CO 0.02 0.00 -0.09 0.16 -1.23 0.00 0.00 177.57 176.42 1u1l h ILE 164 N 0.00 0.17 -4.24 7.19 3.07 -1.65 -3.44 117.51 118.61 1u1l h ILE 164 Ca -0.00 -1.14 -0.51 0.00 1.55 0.00 0.00 64.86 64.77 1u1l h ILE 164 Cb 0.01 1.99 0.06 0.00 -0.27 0.00 0.00 36.82 38.61 1u1l h ILE 164 CO 0.00 0.09 0.37 -1.10 -1.05 0.00 0.00 178.15 176.47 1u1l s GLN 165 N -3.26 3.60 -0.17 0.16 -1.52 -0.70 -5.02 119.66 112.75 1u1l s GLN 165 Ca 0.05 0.67 -0.16 0.00 -1.95 0.00 0.00 55.36 53.97 1u1l s GLN 165 Cb 0.06 -2.12 -0.22 0.00 -0.22 0.00 0.00 33.01 30.51 1u1l s GLN 165 CO 0.66 -0.51 0.29 -0.22 -0.25 0.00 0.00 175.29 175.26 1u1l h LYS 166 N -0.21 0.10 -6.32 2.91 3.64 -1.86 -3.48 116.57 111.35 1u1l h LYS 166 Ca -0.44 -0.18 -0.66 0.00 -1.27 0.00 0.00 60.65 58.10 1u1l h LYS 166 Cb 1.19 0.07 -0.13 0.00 -0.41 0.00 0.00 32.23 32.94 1u1l h LYS 166 CO 0.62 1.08 -0.67 0.71 -2.27 0.00 0.00 179.45 178.92 1u1l s TYR 167 N -2.43 2.97 -0.08 1.91 2.02 -1.26 -4.92 117.35 115.55 1u1l s TYR 167 Ca -0.26 -0.02 -0.03 0.00 -0.37 0.00 0.00 57.07 56.39 1u1l s TYR 167 Cb 0.06 -1.56 0.05 0.00 -0.40 0.00 0.00 41.96 40.10 1u1l s TYR 167 CO 0.66 0.45 0.16 -1.01 -1.57 0.00 0.00 175.55 174.24 1u1l s HIS 168 N -1.21 -0.18 -0.31 2.71 3.76 -1.26 -5.03 115.29 113.78 1u1l s HIS 168 Ca 0.23 0.60 -0.11 0.00 -0.15 0.00 0.00 55.06 55.63 1u1l s HIS 168 Cb -0.11 -0.25 -0.02 0.00 1.11 0.00 0.00 32.58 33.30 1u1l s HIS 168 CO 0.15 -0.26 0.18 0.99 -0.85 0.00 0.00 174.74 174.95 1u1l s THR 169 N 2.22 4.99 -0.03 1.30 2.01 -1.26 0.08 115.64 124.95 1u1l s THR 169 Ca 0.02 -0.18 0.03 0.00 0.31 0.00 0.00 61.69 61.88 1u1l s THR 169 Cb -0.12 -3.49 -0.00 0.00 0.01 0.00 0.00 72.50 68.90 1u1l s THR 169 CO -0.06 0.11 -0.12 -0.69 -0.69 0.00 0.00 174.62 173.17 1u1l s VAL 170 N 1.69 1.02 -1.53 3.82 1.01 -0.23 -4.78 120.40 121.40 1u1l s VAL 170 Ca 0.06 -0.50 -0.10 0.00 0.00 0.00 0.00 61.98 61.43 1u1l s VAL 170 Cb -0.17 -0.89 0.08 0.00 0.00 0.00 0.00 36.38 35.40 1u1l s VAL 170 CO 0.09 0.30 0.76 -3.20 0.00 0.00 0.00 175.10 173.05 1u1l n ASN 171 N 3.15 -2.85 0.00 3.32 5.15 -1.26 -1.63 115.26 121.14 1u1l n ASN 171 Ca -0.17 -0.91 0.00 0.00 -0.60 0.00 0.00 54.58 52.89 1u1l n ASN 171 Cb 0.54 -3.35 0.00 0.00 -0.53 0.00 0.00 39.78 36.44 1u1l n ASN 171 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1u1l n GLY 172 N -1.66 2.90 3.19 8.20 0.00 -1.26 -4.94 105.19 111.63 1u1l n GLY 172 Ca -0.07 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.80 1u1l n GLY 172 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1u1l s HIS 173 N -1.80 1.14 0.67 1.61 3.76 -0.65 -5.07 115.29 114.94 1u1l s HIS 173 Ca 0.00 -0.64 -0.17 0.00 -0.15 0.00 0.00 55.06 54.10 1u1l s HIS 173 Cb 0.00 -0.61 -0.00 0.00 1.11 0.00 0.00 32.58 33.08 1u1l s HIS 173 CO 0.00 0.03 1.23 -1.71 -0.85 0.00 0.00 174.74 173.45 1u1l n ASN 174 N 0.52 1.74 -4.08 1.40 2.85 -1.26 -1.06 115.26 115.38 1u1l n ASN 174 Ca -0.16 0.79 -0.08 0.00 -0.11 0.00 0.00 54.58 55.02 1u1l n ASN 174 Cb 0.58 -1.53 -0.09 0.00 1.24 0.00 0.00 39.78 39.97 1u1l n ASN 174 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1u1l s GLU 176 N -3.97 4.13 -0.13 0.00 2.12 -0.36 -4.07 118.70 116.42 1u1l s GLU 176 Ca 0.14 -0.25 0.02 0.00 0.36 0.00 0.00 54.97 55.23 1u1l s GLU 176 Cb 0.07 -3.40 -0.00 0.00 0.26 0.00 0.00 34.13 31.05 1u1l s GLU 176 CO -0.05 0.25 -0.18 0.08 -0.54 0.00 0.00 175.26 174.82 1u1l s VAL 177 N 0.49 2.48 0.20 3.70 1.01 -1.26 -0.82 120.40 126.21 1u1l s VAL 177 Ca 0.07 -0.85 0.04 0.00 0.00 0.00 0.00 61.98 61.24 1u1l s VAL 177 Cb -0.12 -2.01 -0.05 0.00 0.00 0.00 0.00 36.38 34.20 1u1l s VAL 177 CO -0.00 0.53 -0.03 -0.13 0.00 0.00 0.00 175.10 175.47 1u1l s ARG 178 N 0.59 1.22 0.24 2.72 0.52 -0.38 -4.82 118.95 119.05 1u1l s ARG 178 Ca -0.11 -1.59 -0.30 0.00 -0.52 0.00 0.00 55.73 53.22 1u1l s ARG 178 Cb -0.16 -0.57 -0.09 0.00 0.52 0.00 0.00 34.95 34.64 1u1l s ARG 178 CO 0.03 -0.05 1.25 0.15 0.02 0.00 0.00 175.30 176.71 1u1l s LYS 179 N -3.84 4.44 -0.15 3.54 1.02 -1.26 -0.47 119.74 123.02 1u1l s LYS 179 Ca 0.24 2.02 -0.29 0.00 0.02 0.00 0.00 55.97 57.96 1u1l s LYS 179 Cb 0.05 -3.17 -0.02 0.00 -0.52 0.00 0.00 37.83 34.16 1u1l s LYS 179 CO 0.06 -0.13 1.35 0.00 -0.92 0.00 0.00 175.35 175.71 1u1l s ALA 180 N -0.43 3.63 0.01 5.17 0.00 -0.56 -4.64 121.76 124.95 1u1l s ALA 180 Ca 0.52 0.53 -0.08 0.00 0.00 0.00 0.00 51.96 52.93 1u1l s ALA 180 Cb -0.36 -3.66 -0.05 0.00 0.00 0.00 0.00 23.12 19.05 1u1l s ALA 180 CO 0.42 -1.27 0.30 -0.51 0.00 0.00 0.00 175.76 174.70 1u1l s LEU 181 N 3.69 4.38 1.16 0.00 1.43 -1.26 -4.94 118.68 123.13 1u1l s LEU 181 Ca 0.59 0.64 -0.14 0.00 -1.03 0.00 0.00 54.13 54.19 1u1l s LEU 181 Cb -0.24 -2.68 0.27 0.00 0.03 0.00 0.00 46.19 43.58 1u1l s LEU 181 CO 0.18 0.26 1.04 -0.94 0.23 0.00 0.00 176.35 177.11 1u1l s SER 182 N -1.60 1.11 0.25 2.29 1.04 -1.26 -4.61 113.70 110.92 1u1l s SER 182 Ca 0.27 1.32 -0.05 0.00 0.48 0.00 0.00 55.95 57.97 1u1l s SER 182 Cb -0.14 -2.04 0.35 0.00 0.10 0.00 0.00 66.02 64.29 1u1l s SER 182 CO 0.15 -4.09 1.86 0.50 0.98 0.00 0.00 173.24 172.65 1u1l h LYS 183 N -2.55 1.02 -0.19 4.02 3.64 -1.99 0.19 116.57 120.72 1u1l h LYS 183 Ca -0.59 -0.06 -0.21 0.00 -1.27 0.00 0.00 60.65 58.52 1u1l h LYS 183 Cb 1.34 -0.23 0.01 0.00 -0.41 0.00 0.00 32.23 32.93 1u1l h LYS 183 CO 0.51 0.68 -0.70 1.96 -2.27 0.00 0.00 179.45 179.62 1u1l h GLN 184 N 1.05 0.81 0.00 1.90 4.20 -1.99 -2.29 115.11 118.79 1u1l h GLN 184 Ca 0.39 -0.62 -0.04 0.00 0.06 0.00 0.00 58.65 58.43 1u1l h GLN 184 Cb 0.15 0.11 -0.01 0.00 0.30 0.00 0.00 27.48 28.03 1u1l h GLN 184 CO -0.17 1.23 -0.21 0.93 -0.67 0.00 0.00 178.83 179.95 1u1l h GLU 185 N 0.56 0.00 -0.15 1.46 5.08 -1.71 0.36 114.58 120.18 1u1l h GLU 185 Ca -0.03 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.29 1u1l h GLU 185 Cb 1.33 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.57 1u1l h GLU 185 CO 0.15 0.21 -0.03 0.52 -1.00 0.00 0.00 179.01 178.85 1u1l h MET 186 N 0.00 0.29 0.08 2.33 2.86 -0.49 -2.09 114.93 117.90 1u1l h MET 186 Ca -0.00 -0.11 -0.00 0.00 -2.06 0.00 0.00 59.70 57.53 1u1l h MET 186 Cb 0.38 -0.02 0.00 0.00 0.06 0.00 0.00 31.60 32.03 1u1l h MET 186 CO 0.03 0.57 -0.04 0.00 1.06 0.00 0.00 176.91 178.53 1u1l h ALA 187 N 0.71 -0.10 0.00 6.32 0.00 -0.78 -1.83 119.26 123.58 1u1l h ALA 187 Ca 0.04 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.86 1u1l h ALA 187 Cb 0.46 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.29 1u1l h ALA 187 CO 0.01 -0.49 0.05 1.03 0.00 0.00 0.00 179.25 179.86 1u1l h SER 188 N -0.24 0.00 0.58 0.00 0.87 -0.29 -0.25 113.55 114.22 1u1l h SER 188 Ca -0.01 0.00 -0.23 0.00 -1.23 0.00 0.00 61.79 60.32 1u1l h SER 188 Cb 0.20 0.00 -0.04 0.00 -0.44 0.00 0.00 62.40 62.12 1u1l h SER 188 CO 0.02 0.00 -1.58 0.00 -0.53 0.00 0.00 176.83 174.74 1u1l n ALA 189 N -2.01 1.72 1.87 6.23 0.00 -0.79 -5.07 120.51 122.46 1u1l n ALA 189 Ca -0.03 -0.66 0.15 0.00 0.00 0.00 0.00 53.44 52.90 1u1l n ALA 189 Cb 0.11 -0.89 0.84 0.00 0.00 0.00 0.00 19.45 19.51 1u1l n ALA 189 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93