#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1u1p s GLU 9 N 0.00 2.68 0.26 1.64 2.02 -1.26 -5.08 118.70 118.96 1u1p s GLU 9 Ca 0.00 -0.69 -0.31 0.00 0.02 0.00 0.00 54.97 53.99 1u1p s GLU 9 Cb 0.00 -2.61 -0.13 0.00 0.10 0.00 0.00 34.13 31.49 1u1p s GLU 9 CO 0.00 0.60 1.36 -2.30 0.02 0.00 0.00 175.26 174.94 1u1p n PRO 10 N 1.19 2.00 -0.32 0.39 -0.02 -1.26 -4.86 135.00 132.13 1u1p n PRO 10 Ca -0.14 0.71 0.18 0.00 -2.02 0.00 0.00 63.50 62.24 1u1p n PRO 10 Cb 0.52 -2.34 0.44 0.00 -0.02 0.00 0.00 33.50 32.11 1u1p n PRO 10 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 1u1p h GLU 11 N 3.80 0.51 -0.46 -0.52 4.22 -1.98 -0.99 114.58 119.16 1u1p h GLU 11 Ca -0.45 -0.03 -0.05 0.00 0.08 0.00 0.00 59.36 58.91 1u1p h GLU 11 Cb 1.28 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 30.39 1u1p h GLU 11 CO 0.73 0.34 0.08 0.37 -2.18 0.00 0.00 179.01 178.34 1u1p h GLN 12 N 0.53 0.71 -0.00 1.92 5.75 -1.95 -2.39 115.11 119.68 1u1p h GLN 12 Ca 0.57 -0.15 0.00 0.00 -0.15 0.00 0.00 58.65 58.92 1u1p h GLN 12 Cb 1.22 -0.11 0.00 0.00 1.07 0.00 0.00 27.48 29.66 1u1p h GLN 12 CO -0.31 0.67 -0.15 1.28 -2.65 0.00 0.00 178.83 177.67 1u1p n LEU 13 N -4.28 0.17 -1.05 -2.39 4.77 -0.40 -3.27 117.00 110.55 1u1p n LEU 13 Ca 0.03 0.32 0.12 0.00 -0.03 0.00 0.00 56.01 56.45 1u1p n LEU 13 Cb 0.23 -0.40 0.15 0.00 -2.33 0.00 0.00 43.42 41.07 1u1p n LEU 13 CO 0.40 0.04 0.66 0.54 -1.33 0.00 0.00 177.39 177.70 1u1p n ARG 14 N -1.46 2.39 -4.52 3.23 1.74 -0.92 -4.74 116.66 112.37 1u1p n ARG 14 Ca 0.07 -2.10 -0.32 0.00 -0.77 0.00 0.00 57.85 54.74 1u1p n ARG 14 Cb 0.33 -1.48 -0.11 0.00 -1.02 0.00 0.00 32.46 30.18 1u1p n ARG 14 CO 0.00 0.00 0.00 0.21 -1.52 0.00 0.00 177.63 176.32 1u1p s LYS 15 N -1.73 2.44 -0.03 5.56 2.20 -1.09 -0.92 119.74 126.18 1u1p s LYS 15 Ca 0.33 -0.78 0.07 0.00 -0.36 0.00 0.00 55.97 55.23 1u1p s LYS 15 Cb 0.21 -2.43 -0.01 0.00 -1.51 0.00 0.00 37.83 34.09 1u1p s LYS 15 CO 0.30 0.59 -0.23 -0.51 -0.36 0.00 0.00 175.35 175.14 1u1p s LEU 16 N -1.39 2.04 -0.06 5.43 1.43 0.52 -2.32 118.68 124.33 1u1p s LEU 16 Ca 0.16 -0.44 -0.21 0.00 -1.03 0.00 0.00 54.13 52.61 1u1p s LEU 16 Cb -0.11 -1.23 -0.04 0.00 0.03 0.00 0.00 46.19 44.84 1u1p s LEU 16 CO 0.07 0.26 0.61 0.12 0.23 0.00 0.00 176.35 177.64 1u1p s PHE 17 N -0.37 3.59 -0.34 0.29 5.36 0.18 -1.70 117.98 125.00 1u1p s PHE 17 Ca 0.04 1.14 -0.01 0.00 -0.96 0.00 0.00 56.93 57.14 1u1p s PHE 17 Cb -0.11 -2.68 0.07 0.00 -0.34 0.00 0.00 43.02 39.96 1u1p s PHE 17 CO 0.01 0.18 0.07 0.42 -1.46 0.00 0.00 175.22 174.44 1u1p s ILE 18 N 0.47 2.98 0.29 3.12 -1.09 -0.04 0.14 121.20 127.06 1u1p s ILE 18 Ca 0.33 -1.71 0.03 0.00 -2.23 0.00 0.00 60.65 57.07 1u1p s ILE 18 Cb -0.17 -2.87 -0.03 0.00 -1.58 0.00 0.00 42.46 37.81 1u1p s ILE 18 CO 0.16 -0.35 0.44 -0.83 -1.23 0.00 0.00 174.94 173.13 1u1p s GLY 19 N 1.39 1.29 -0.72 6.18 0.00 -0.34 -1.71 107.32 113.40 1u1p s GLY 19 Ca 0.01 -1.13 0.00 0.00 0.00 0.00 0.00 44.72 43.59 1u1p s GLY 19 CO -0.03 -1.11 0.00 0.61 0.00 0.00 0.00 173.10 172.57 1u1p n GLY 20 N -1.57 0.13 3.77 0.20 0.00 -0.91 -0.54 105.19 106.27 1u1p n GLY 20 Ca -0.07 -0.55 -0.39 0.00 0.00 0.00 0.00 46.02 45.01 1u1p n GLY 20 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1u1p s LEU 21 N -2.33 4.16 0.45 0.99 1.43 -0.34 -4.61 118.68 118.44 1u1p s LEU 21 Ca 0.00 2.61 -0.25 0.00 -1.03 0.00 0.00 54.13 55.46 1u1p s LEU 21 Cb 0.00 -3.98 -0.08 0.00 0.03 0.00 0.00 46.19 42.16 1u1p s LEU 21 CO 0.00 -0.91 1.36 -0.55 0.23 0.00 0.00 176.35 176.48 1u1p s SER 22 N -0.85 5.93 0.26 2.29 0.15 -1.26 -4.66 113.70 115.56 1u1p s SER 22 Ca 0.59 2.78 0.16 0.00 0.70 0.00 0.00 55.95 60.18 1u1p s SER 22 Cb -0.37 -2.64 0.87 0.00 -1.71 0.00 0.00 66.02 62.17 1u1p s SER 22 CO 0.47 -1.13 1.46 2.22 1.20 0.00 0.00 173.24 177.46 1u1p n PHE 23 N -0.25 0.54 1.05 3.44 1.16 -1.26 -0.85 117.46 121.29 1u1p n PHE 23 Ca 0.06 0.28 0.12 0.00 -1.87 0.00 0.00 57.45 56.04 1u1p n PHE 23 Cb 0.43 -0.90 0.15 0.00 -1.61 0.00 0.00 39.48 37.55 1u1p n PHE 23 CO 0.00 0.00 0.00 0.39 -1.87 0.00 0.00 176.76 175.28 1u1p n GLU 24 N -2.07 0.28 -2.18 3.97 1.02 -1.26 -4.72 120.64 115.68 1u1p n GLU 24 Ca -0.01 -0.19 -0.41 0.00 -0.02 0.00 0.00 57.16 56.52 1u1p n GLU 24 Cb 0.10 -1.50 -0.03 0.00 -0.02 0.00 0.00 31.44 29.99 1u1p n GLU 24 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 1u1p s THR 25 N -2.85 3.11 0.46 2.62 2.01 -0.03 -5.02 115.64 115.93 1u1p s THR 25 Ca 0.13 0.91 0.04 0.00 0.31 0.00 0.00 61.69 63.08 1u1p s THR 25 Cb 0.17 -3.58 -0.04 0.00 0.01 0.00 0.00 72.50 69.06 1u1p s THR 25 CO 0.70 0.13 0.01 0.42 -0.69 0.00 0.00 174.62 175.20 1u1p s THR 26 N 0.15 1.45 0.24 -0.82 -4.23 -1.26 -4.97 115.64 106.20 1u1p s THR 26 Ca 0.58 -2.00 -0.05 0.00 -1.18 0.00 0.00 61.69 59.04 1u1p s THR 26 Cb -0.37 -2.52 0.21 0.00 1.34 0.00 0.00 72.50 71.15 1u1p s THR 26 CO 0.39 0.00 1.81 0.44 -0.54 0.00 0.00 174.62 176.72 1u1p h ASP 27 N 1.57 0.68 -0.30 3.99 3.32 -1.92 -0.83 116.42 122.93 1u1p h ASP 27 Ca -0.43 0.04 -0.03 0.00 0.02 0.00 0.00 57.03 56.63 1u1p h ASP 27 Cb 1.28 -0.09 -0.01 0.00 0.22 0.00 0.00 39.33 40.73 1u1p h ASP 27 CO 0.76 0.40 0.05 -0.33 -1.72 0.00 0.00 179.24 178.40 1u1p h GLU 28 N 0.80 0.49 -0.08 3.56 4.39 -1.96 -1.55 114.58 120.23 1u1p h GLU 28 Ca 0.38 -0.13 -0.15 0.00 0.34 0.00 0.00 59.36 59.81 1u1p h GLU 28 Cb 0.32 -0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 28.90 1u1p h GLU 28 CO -0.23 0.59 -0.59 0.66 -1.16 0.00 0.00 179.01 178.28 1u1p h SER 29 N 0.32 0.31 -0.42 1.42 4.64 -1.89 -1.19 113.55 116.73 1u1p h SER 29 Ca 0.09 -0.17 -0.04 0.00 -0.47 0.00 0.00 61.79 61.20 1u1p h SER 29 Cb 0.33 -0.09 -0.02 0.00 -0.31 0.00 0.00 62.40 62.31 1u1p h SER 29 CO 0.00 0.82 0.10 0.25 -0.87 0.00 0.00 176.83 177.14 1u1p h LEU 30 N 0.20 0.65 -0.41 5.97 5.85 -1.09 -2.62 115.31 123.86 1u1p h LEU 30 Ca -0.00 -0.23 -0.03 0.00 0.84 0.00 0.00 57.88 58.45 1u1p h LEU 30 Cb 1.09 -0.17 -0.02 0.00 0.37 0.00 0.00 40.66 41.93 1u1p h LEU 30 CO 0.09 0.71 0.13 -0.09 -0.34 0.00 0.00 178.44 178.95 1u1p h ARG 31 N 0.55 0.63 -0.96 1.25 2.43 -1.16 -2.08 114.38 115.05 1u1p h ARG 31 Ca 0.13 -0.13 0.10 0.00 -0.81 0.00 0.00 59.98 59.27 1u1p h ARG 31 Cb 0.32 -0.09 -0.07 0.00 -0.42 0.00 0.00 29.97 29.70 1u1p h ARG 31 CO 0.00 0.62 0.61 1.03 -1.51 0.00 0.00 179.97 180.73 1u1p h SER 32 N 0.52 0.89 0.31 -3.80 0.87 -1.07 -0.58 113.55 110.70 1u1p h SER 32 Ca 0.13 0.03 -0.02 0.00 -1.23 0.00 0.00 61.79 60.71 1u1p h SER 32 Cb 0.25 -0.15 0.00 0.00 -0.44 0.00 0.00 62.40 62.06 1u1p h SER 32 CO -0.01 0.51 -0.15 -0.74 -0.53 0.00 0.00 176.83 175.91 1u1p h HIS 33 N 0.98 -0.39 0.00 2.24 -0.00 -1.25 -3.36 115.15 113.36 1u1p h HIS 33 Ca 0.45 -0.01 0.00 0.00 -0.00 0.00 0.00 60.37 60.81 1u1p h HIS 33 Cb 0.41 0.13 0.00 0.00 -0.00 0.00 0.00 27.41 27.95 1u1p h HIS 33 CO -0.00 -0.24 0.00 0.74 -0.00 0.00 0.00 177.93 178.43 1u1p h PHE 34 N -0.86 0.00 0.00 5.26 0.04 -1.31 -2.57 116.94 117.49 1u1p h PHE 34 Ca -0.04 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.73 1u1p h PHE 34 Cb 0.32 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.47 1u1p h PHE 34 CO 0.02 0.00 0.00 0.39 -0.60 0.00 0.00 178.31 178.12 1u1p n GLU 35 N -2.42 0.06 0.26 1.51 1.02 -0.23 -2.34 120.64 118.50 1u1p n GLU 35 Ca 0.01 0.23 0.17 0.00 -0.02 0.00 0.00 57.16 57.55 1u1p n GLU 35 Cb 0.18 -1.50 0.79 0.00 -0.02 0.00 0.00 31.44 30.88 1u1p n GLU 35 CO 0.00 0.00 0.00 1.96 1.18 0.00 0.00 177.13 180.27 1u1p h GLN 36 N 0.00 0.00 -0.27 3.49 4.20 -1.66 -2.89 115.11 117.97 1u1p h GLN 36 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1u1p h GLN 36 Cb 0.22 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.00 1u1p h GLN 36 CO 0.00 0.00 0.00 0.91 -0.67 0.00 0.00 178.83 179.07 1u1p n TRP 37 N -2.88 0.42 0.00 2.96 8.01 -0.99 -5.08 117.44 119.88 1u1p n TRP 37 Ca -0.00 -0.55 0.00 0.00 -1.31 0.00 0.00 57.50 55.64 1u1p n TRP 37 Cb 0.21 -0.06 0.00 0.00 -2.01 0.00 0.00 31.31 29.45 1u1p n TRP 37 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 1u1p n GLY 38 N 0.21 0.27 3.65 6.99 0.00 -1.09 -4.71 105.19 110.50 1u1p n GLY 38 Ca 0.11 -1.57 -0.43 0.00 0.00 0.00 0.00 46.02 44.14 1u1p n GLY 38 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1u1p s THR 39 N -1.63 4.72 -0.05 2.61 2.01 -1.26 -4.47 115.64 117.57 1u1p s THR 39 Ca 0.00 1.87 -0.19 0.00 0.31 0.00 0.00 61.69 63.67 1u1p s THR 39 Cb 0.00 -4.25 -0.05 0.00 0.01 0.00 0.00 72.50 68.21 1u1p s THR 39 CO 0.00 -0.16 0.55 -0.76 -0.69 0.00 0.00 174.62 173.56 1u1p s LEU 40 N 3.11 4.36 -0.00 4.42 1.43 -1.26 -0.89 118.68 129.85 1u1p s LEU 40 Ca 0.41 1.03 0.21 0.00 -1.03 0.00 0.00 54.13 54.75 1u1p s LEU 40 Cb -0.15 -2.83 -0.21 0.00 0.03 0.00 0.00 46.19 43.03 1u1p s LEU 40 CO 0.07 0.06 0.88 0.35 0.23 0.00 0.00 176.35 177.94 1u1p n THR 41 N 3.08 0.00 -3.61 5.49 -2.24 0.13 -4.92 114.28 112.22 1u1p n THR 41 Ca -0.07 -0.05 -0.13 0.00 -2.27 0.00 0.00 64.05 61.53 1u1p n THR 41 Cb 0.51 0.87 -0.07 0.00 -2.10 0.00 0.00 70.33 69.54 1u1p n THR 41 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1u1p s ASP 42 N -3.16 -0.61 -0.27 3.42 2.15 -1.21 -4.99 116.67 111.99 1u1p s ASP 42 Ca 0.07 1.05 -0.10 0.00 0.43 0.00 0.00 52.55 54.00 1u1p s ASP 42 Cb 0.16 1.02 0.12 0.00 -0.30 0.00 0.00 42.92 43.91 1u1p s ASP 42 CO 0.87 -0.30 0.60 0.00 -0.17 0.00 0.00 175.17 176.16 1u1p s VAL 44 N 2.75 0.01 -0.23 0.00 0.11 -0.25 -4.88 120.40 117.91 1u1p s VAL 44 Ca -0.05 -0.05 -0.10 0.00 -2.93 0.00 0.00 61.98 58.84 1u1p s VAL 44 Cb -0.12 -0.82 -0.05 0.00 -1.53 0.00 0.00 36.38 33.87 1u1p s VAL 44 CO -0.18 -0.03 0.15 -0.69 -3.33 0.00 0.00 175.10 171.03 1u1p s VAL 45 N -0.14 5.34 0.11 2.04 1.01 -1.26 -0.58 120.40 126.92 1u1p s VAL 45 Ca -0.03 0.17 -0.30 0.00 0.00 0.00 0.00 61.98 61.82 1u1p s VAL 45 Cb -0.03 -3.48 -0.06 0.00 0.00 0.00 0.00 36.38 32.81 1u1p s VAL 45 CO 0.03 0.37 1.11 -0.04 0.00 0.00 0.00 175.10 176.57 1u1p s MET 46 N 0.90 4.54 0.22 2.72 -1.94 -0.31 -4.95 119.30 120.48 1u1p s MET 46 Ca 0.07 1.69 0.08 0.00 -1.71 0.00 0.00 55.69 55.82 1u1p s MET 46 Cb -0.13 -3.33 -0.05 0.00 2.01 0.00 0.00 34.83 33.33 1u1p s MET 46 CO 0.03 -0.04 -0.13 1.03 -0.01 0.00 0.00 175.02 175.90 1u1p s ARG 47 N 0.29 1.39 -0.15 2.03 0.52 -1.26 -0.08 118.95 121.70 1u1p s ARG 47 Ca 0.53 -1.64 -0.29 0.00 -0.52 0.00 0.00 55.73 53.81 1u1p s ARG 47 Cb -0.28 -1.16 -0.03 0.00 0.52 0.00 0.00 34.95 33.99 1u1p s ARG 47 CO 0.32 0.16 1.51 0.34 0.02 0.00 0.00 175.30 177.65 1u1p s ASP 48 N -3.35 6.67 0.50 0.23 2.15 0.32 -4.82 116.67 118.37 1u1p s ASP 48 Ca 0.24 1.85 0.35 0.00 0.43 0.00 0.00 52.55 55.42 1u1p s ASP 48 Cb -0.00 -2.53 1.48 0.00 -0.30 0.00 0.00 42.92 41.56 1u1p s ASP 48 CO 0.08 -0.98 1.72 -0.65 -0.17 0.00 0.00 175.17 175.18 1u1p h PRO 49 N 9.47 0.09 0.00 4.34 0.11 -1.95 0.35 132.00 144.40 1u1p h PRO 49 Ca -0.33 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.77 1u1p h PRO 49 Cb 1.14 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.23 1u1p h PRO 49 CO 0.98 0.06 -0.36 -1.71 -0.21 0.00 0.00 178.00 176.76 1u1p n ASN 50 N -4.31 1.03 0.00 -2.05 5.15 -1.26 -4.53 115.26 109.29 1u1p n ASN 50 Ca 0.31 0.39 0.10 0.00 -0.60 0.00 0.00 54.58 54.78 1u1p n ASN 50 Cb 1.36 -0.69 0.49 0.00 -0.53 0.00 0.00 39.78 40.41 1u1p n ASN 50 CO 0.00 0.00 0.00 0.35 1.40 0.00 0.00 177.26 179.01 1u1p n THR 51 N -3.58 0.45 -0.51 -0.44 -2.24 -1.20 -4.86 114.28 101.90 1u1p n THR 51 Ca -0.05 0.11 0.00 0.00 -2.27 0.00 0.00 64.05 61.84 1u1p n THR 51 Cb 0.19 -0.76 0.00 0.00 -2.10 0.00 0.00 70.33 67.66 1u1p n THR 51 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1u1p n LYS 52 N -1.38 0.00 -1.92 -0.78 4.76 0.12 -4.94 118.16 114.03 1u1p n LYS 52 Ca 0.08 0.00 -0.38 0.00 -2.87 0.00 0.00 58.31 55.14 1u1p n LYS 52 Cb 0.20 -3.79 0.03 0.00 -1.84 0.00 0.00 35.03 29.63 1u1p n LYS 52 CO 0.00 0.00 0.00 1.03 -1.37 0.00 0.00 177.40 177.06 1u1p s ARG 53 N -0.56 3.22 0.26 1.97 1.81 -1.26 -4.47 118.95 119.92 1u1p s ARG 53 Ca 0.00 2.07 -0.29 0.00 -1.72 0.00 0.00 55.73 55.78 1u1p s ARG 53 Cb 0.00 -2.22 -0.09 0.00 -0.45 0.00 0.00 34.95 32.19 1u1p s ARG 53 CO 0.00 -1.08 1.25 0.45 -0.68 0.00 0.00 175.30 175.24 1u1p s SER 54 N -1.16 6.96 0.00 0.23 0.15 -1.26 0.12 113.70 118.74 1u1p s SER 54 Ca 0.71 2.45 0.30 0.00 0.70 0.00 0.00 55.95 60.11 1u1p s SER 54 Cb -0.36 -2.63 1.41 0.00 -1.71 0.00 0.00 66.02 62.73 1u1p s SER 54 CO 0.42 -0.42 1.95 0.54 1.20 0.00 0.00 173.24 176.93 1u1p n ARG 55 N 1.65 1.38 -0.73 5.44 1.74 0.89 -4.79 116.66 122.24 1u1p n ARG 55 Ca 0.02 -0.56 0.00 0.00 -0.77 0.00 0.00 57.85 56.54 1u1p n ARG 55 Cb 0.43 -1.49 0.00 0.00 -1.02 0.00 0.00 32.46 30.38 1u1p n ARG 55 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1u1p n GLY 56 N 1.10 0.57 3.40 -0.13 0.00 -1.26 -5.01 105.19 103.86 1u1p n GLY 56 Ca 0.21 -0.64 -0.13 0.00 0.00 0.00 0.00 46.02 45.46 1u1p n GLY 56 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1u1p s PHE 57 N -2.00 -0.45 0.04 1.61 -0.12 -1.26 -1.19 117.98 114.61 1u1p s PHE 57 Ca 0.00 0.43 -0.01 0.00 -0.05 0.00 0.00 56.93 57.30 1u1p s PHE 57 Cb 0.00 0.40 0.00 0.00 -0.63 0.00 0.00 43.02 42.79 1u1p s PHE 57 CO 0.00 -0.70 0.07 0.41 -0.05 0.00 0.00 175.22 174.95 1u1p n GLY 58 N 0.17 2.66 2.98 1.99 0.00 -0.70 -1.16 105.19 111.13 1u1p n GLY 58 Ca -0.18 -1.29 -0.12 0.00 0.00 0.00 0.00 46.02 44.43 1u1p n GLY 58 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1u1p s PHE 59 N -5.86 0.40 -0.03 1.61 0.40 0.25 -0.86 117.98 113.89 1u1p s PHE 59 Ca 0.03 -0.33 0.03 0.00 -0.60 0.00 0.00 56.93 56.06 1u1p s PHE 59 Cb -0.00 -0.25 0.00 0.00 0.51 0.00 0.00 43.02 43.28 1u1p s PHE 59 CO 0.02 -0.08 -0.10 0.14 0.70 0.00 0.00 175.22 175.91 1u1p s VAL 60 N -0.88 0.83 -0.08 -0.44 -7.23 -0.69 -1.09 120.40 110.82 1u1p s VAL 60 Ca -0.07 -0.39 0.02 0.00 -1.81 0.00 0.00 61.98 59.74 1u1p s VAL 60 Cb -0.06 -0.73 0.01 0.00 0.56 0.00 0.00 36.38 36.15 1u1p s VAL 60 CO -0.00 0.26 -0.14 -0.89 -0.31 0.00 0.00 175.10 174.01 1u1p s THR 61 N 0.18 1.35 0.37 5.32 2.01 -0.14 -0.35 115.64 124.37 1u1p s THR 61 Ca -0.03 -0.58 0.05 0.00 0.31 0.00 0.00 61.69 61.44 1u1p s THR 61 Cb -0.09 -1.22 -0.00 0.00 0.01 0.00 0.00 72.50 71.19 1u1p s THR 61 CO 0.01 0.41 0.53 -0.31 -0.69 0.00 0.00 174.62 174.56 1u1p s TYR 62 N 0.77 3.10 0.25 4.92 1.51 -0.10 0.20 117.35 127.99 1u1p s TYR 62 Ca -0.12 -0.14 0.26 0.00 -1.01 0.00 0.00 57.07 56.06 1u1p s TYR 62 Cb -0.16 -2.11 1.15 0.00 -0.11 0.00 0.00 41.96 40.73 1u1p s TYR 62 CO 0.02 -0.14 1.93 0.00 -1.11 0.00 0.00 175.55 176.25 1u1p h ALA 63 N 0.75 1.11 -2.46 3.71 0.00 -1.33 -3.43 119.26 117.61 1u1p h ALA 63 Ca -0.45 -0.16 -0.12 0.00 0.00 0.00 0.00 54.91 54.18 1u1p h ALA 63 Cb 1.26 -0.03 -0.16 0.00 0.00 0.00 0.00 17.79 18.86 1u1p h ALA 63 CO 0.53 0.23 -0.56 0.95 0.00 0.00 0.00 179.25 180.39 1u1p s THR 64 N -3.85 0.17 0.27 0.00 -4.23 -1.26 -4.81 115.64 101.92 1u1p s THR 64 Ca -0.01 -1.39 0.18 0.00 -1.18 0.00 0.00 61.69 59.30 1u1p s THR 64 Cb 0.11 -1.21 0.15 0.00 1.34 0.00 0.00 72.50 72.89 1u1p s THR 64 CO 0.61 -0.77 1.81 0.58 -0.54 0.00 0.00 174.62 176.32 1u1p h VAL 65 N 3.32 0.94 -0.70 2.29 2.07 -1.87 -2.69 116.25 119.61 1u1p h VAL 65 Ca -0.33 -1.31 -0.02 0.00 0.82 0.00 0.00 66.70 65.86 1u1p h VAL 65 Cb 1.17 1.77 -0.03 0.00 -1.52 0.00 0.00 31.29 32.68 1u1p h VAL 65 CO 0.57 0.33 0.36 -0.08 0.02 0.00 0.00 177.57 178.78 1u1p h GLU 66 N 0.00 0.98 -0.18 1.57 4.81 -1.95 -0.41 114.58 119.39 1u1p h GLU 66 Ca -0.00 -0.12 -0.15 0.00 -0.13 0.00 0.00 59.36 58.96 1u1p h GLU 66 Cb 0.75 -0.19 -0.01 0.00 0.63 0.00 0.00 28.75 29.93 1u1p h GLU 66 CO 0.04 0.74 -0.53 0.93 -0.73 0.00 0.00 179.01 179.46 1u1p h GLU 67 N 0.98 0.52 -0.41 1.92 5.08 -1.77 -2.01 114.58 118.90 1u1p h GLU 67 Ca 0.25 -0.32 0.00 0.00 -1.00 0.00 0.00 59.36 58.29 1u1p h GLU 67 Cb 0.06 0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.32 1u1p h GLU 67 CO -0.04 0.92 0.27 0.28 -1.00 0.00 0.00 179.01 179.45 1u1p h VAL 68 N 0.41 1.10 -0.77 3.13 2.07 -1.14 -1.10 116.25 119.96 1u1p h VAL 68 Ca 0.01 -0.19 -0.00 0.00 0.82 0.00 0.00 66.70 67.34 1u1p h VAL 68 Cb 1.06 0.50 -0.04 0.00 -1.52 0.00 0.00 31.29 31.29 1u1p h VAL 68 CO 0.10 0.10 0.46 0.44 0.02 0.00 0.00 177.57 178.69 1u1p h ASP 69 N 0.56 0.92 -0.54 0.57 3.32 -0.86 -0.59 116.42 119.80 1u1p h ASP 69 Ca 0.15 -0.05 -0.03 0.00 0.02 0.00 0.00 57.03 57.12 1u1p h ASP 69 Cb -0.06 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 39.23 1u1p h ASP 69 CO -0.03 0.71 0.20 0.00 -1.72 0.00 0.00 179.24 178.40 1u1p h ALA 70 N 1.45 0.70 -0.14 3.45 0.00 -0.76 0.60 119.26 124.56 1u1p h ALA 70 Ca 0.28 -0.17 -0.00 0.00 0.00 0.00 0.00 54.91 55.02 1u1p h ALA 70 Cb -0.04 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.53 1u1p h ALA 70 CO -0.05 0.32 0.09 0.00 0.00 0.00 0.00 179.25 179.61 1u1p h ALA 71 N 1.05 0.18 -0.02 0.00 0.00 -0.49 -1.95 119.26 118.03 1u1p h ALA 71 Ca 0.18 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 55.02 1u1p h ALA 71 Cb 0.22 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 1u1p h ALA 71 CO -0.01 -0.32 -0.20 0.52 0.00 0.00 0.00 179.25 179.25 1u1p h MET 72 N 0.17 0.03 0.00 0.00 2.07 -0.82 -0.54 114.93 115.83 1u1p h MET 72 Ca 0.05 -0.01 0.00 0.00 -2.07 0.00 0.00 59.70 57.68 1u1p h MET 72 Cb 0.01 -0.00 0.00 0.00 -1.87 0.00 0.00 31.60 29.74 1u1p h MET 72 CO -0.01 0.22 0.00 0.09 1.07 0.00 0.00 176.91 178.28 1u1p n ASN 73 N -4.29 0.00 -0.66 1.22 3.02 0.18 -2.96 115.26 111.76 1u1p n ASN 73 Ca -0.02 0.50 0.12 0.00 -0.03 0.00 0.00 54.58 55.15 1u1p n ASN 73 Cb 0.26 -0.50 0.36 0.00 -0.61 0.00 0.00 39.78 39.30 1u1p n ASN 73 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1u1p n ALA 74 N -1.50 2.51 -1.52 5.41 0.00 -0.21 -4.94 120.51 120.26 1u1p n ALA 74 Ca 0.05 -0.59 -0.36 0.00 0.00 0.00 0.00 53.44 52.55 1u1p n ALA 74 Cb 0.27 -1.05 0.09 0.00 0.00 0.00 0.00 19.45 18.76 1u1p n ALA 74 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1u1p n ARG 75 N 0.55 0.80 -2.59 0.00 1.74 -1.16 -4.44 116.66 111.56 1u1p n ARG 75 Ca 0.17 0.34 -0.34 0.00 -0.77 0.00 0.00 57.85 57.25 1u1p n ARG 75 Cb 0.40 -2.51 -0.04 0.00 -1.02 0.00 0.00 32.46 29.29 1u1p n ARG 75 CO 0.00 0.00 0.00 -2.14 -1.52 0.00 0.00 177.63 173.97 1u1p s PRO 76 N -3.63 3.89 -0.10 5.56 0.02 -1.26 -5.13 135.00 134.34 1u1p s PRO 76 Ca 0.80 1.33 -0.01 0.00 0.02 0.00 0.00 61.00 63.14 1u1p s PRO 76 Cb -0.35 -2.13 -0.03 0.00 0.02 0.00 0.00 34.50 32.02 1u1p s PRO 76 CO 0.44 -0.35 -0.07 -1.01 -0.33 0.00 0.00 177.00 175.67 1u1p s HIS 77 N -2.00 2.94 -0.20 6.54 3.76 -1.26 -5.09 115.29 119.99 1u1p s HIS 77 Ca 0.66 -0.16 0.01 0.00 -0.15 0.00 0.00 55.06 55.42 1u1p s HIS 77 Cb -0.15 -1.80 0.04 0.00 1.11 0.00 0.00 32.58 31.78 1u1p s HIS 77 CO 0.19 0.15 -0.10 0.21 -0.85 0.00 0.00 174.74 174.35 1u1p s LYS 78 N -0.32 1.98 -0.18 1.40 2.20 -1.26 -1.85 119.74 121.71 1u1p s LYS 78 Ca 0.05 -0.85 -0.02 0.00 -0.36 0.00 0.00 55.97 54.78 1u1p s LYS 78 Cb -0.13 -2.42 -0.01 0.00 -1.51 0.00 0.00 37.83 33.76 1u1p s LYS 78 CO 0.02 -0.44 -0.08 0.08 -0.36 0.00 0.00 175.35 174.57 1u1p s VAL 79 N 1.40 3.22 -1.43 4.02 1.01 0.58 -4.61 120.40 124.59 1u1p s VAL 79 Ca -0.02 -0.57 -0.08 0.00 0.00 0.00 0.00 61.98 61.32 1u1p s VAL 79 Cb -0.16 -2.42 0.05 0.00 0.00 0.00 0.00 36.38 33.84 1u1p s VAL 79 CO -0.08 0.47 0.84 0.47 0.00 0.00 0.00 175.10 176.81 1u1p n ASP 80 N 4.22 -3.10 0.00 3.32 8.00 -1.26 -1.59 116.55 126.14 1u1p n ASP 80 Ca -0.18 -0.81 0.00 0.00 0.71 0.00 0.00 54.79 54.51 1u1p n ASP 80 Cb 0.52 -3.92 0.00 0.00 -0.02 0.00 0.00 41.12 37.70 1u1p n ASP 80 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1u1p n GLY 81 N -1.66 0.41 3.21 0.44 0.00 -1.26 -4.94 105.19 101.39 1u1p n GLY 81 Ca -0.12 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.61 1u1p n GLY 81 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1u1p s ARG 82 N -0.61 2.33 -0.18 1.61 6.06 -0.62 -5.09 118.95 122.45 1u1p s ARG 82 Ca 0.00 -0.78 -0.29 0.00 -2.50 0.00 0.00 55.73 52.16 1u1p s ARG 82 Cb 0.00 -1.95 -0.01 0.00 0.06 0.00 0.00 34.95 33.05 1u1p s ARG 82 CO 0.00 0.29 1.27 0.08 -2.50 0.00 0.00 175.30 174.44 1u1p s VAL 83 N 0.01 4.26 0.43 7.11 1.01 -1.26 -0.31 120.40 131.65 1u1p s VAL 83 Ca -0.06 1.51 0.08 0.00 0.00 0.00 0.00 61.98 63.50 1u1p s VAL 83 Cb -0.14 -4.00 -0.01 0.00 0.00 0.00 0.00 36.38 32.23 1u1p s VAL 83 CO 0.04 -0.16 0.41 0.68 0.00 0.00 0.00 175.10 176.06 1u1p s VAL 84 N 3.59 2.62 -0.35 2.92 -7.23 -0.77 -4.90 120.40 116.28 1u1p s VAL 84 Ca 0.55 -1.31 0.03 0.00 -1.81 0.00 0.00 61.98 59.44 1u1p s VAL 84 Cb -0.21 -2.93 0.10 0.00 0.56 0.00 0.00 36.38 33.90 1u1p s VAL 84 CO 0.15 0.00 0.08 -0.70 -0.31 0.00 0.00 175.10 174.32 1u1p s GLU 85 N -4.17 1.31 0.19 4.82 2.12 0.30 -4.48 118.70 118.79 1u1p s GLU 85 Ca 0.48 -1.73 -0.30 0.00 0.36 0.00 0.00 54.97 53.79 1u1p s GLU 85 Cb -0.04 -2.89 -0.08 0.00 0.26 0.00 0.00 34.13 31.39 1u1p s GLU 85 CO 0.28 -0.97 1.09 -2.14 -0.54 0.00 0.00 175.26 172.98 1u1p s PRO 86 N 0.99 4.62 0.02 4.30 0.02 -1.26 -1.20 135.00 142.48 1u1p s PRO 86 Ca 0.11 1.71 -0.04 0.00 0.02 0.00 0.00 61.00 62.80 1u1p s PRO 86 Cb -0.19 -3.27 -0.01 0.00 0.02 0.00 0.00 34.50 31.05 1u1p s PRO 86 CO -0.12 0.12 0.07 0.15 -0.33 0.00 0.00 177.00 176.90 1u1p s LYS 87 N -0.56 0.44 0.29 5.54 1.02 0.12 -4.97 119.74 121.62 1u1p s LYS 87 Ca 0.48 -0.55 -0.30 0.00 0.02 0.00 0.00 55.97 55.62 1u1p s LYS 87 Cb -0.29 0.17 -0.11 0.00 -0.52 0.00 0.00 37.83 37.08 1u1p s LYS 87 CO 0.35 -0.10 1.60 1.03 -0.92 0.00 0.00 175.35 177.32 1u1p s ARG 88 N -1.65 4.12 -0.08 1.68 1.81 -1.26 0.51 118.95 124.07 1u1p s ARG 88 Ca -0.13 2.59 -0.30 0.00 -1.72 0.00 0.00 55.73 56.16 1u1p s ARG 88 Cb -0.07 -3.02 -0.04 0.00 -0.45 0.00 0.00 34.95 31.37 1u1p s ARG 88 CO -0.00 -0.64 1.36 0.00 -0.68 0.00 0.00 175.30 175.33 1u1p s ALA 89 N 0.03 3.60 -0.20 2.13 0.00 -0.98 -4.59 121.76 121.75 1u1p s ALA 89 Ca 0.64 0.69 -0.21 0.00 0.00 0.00 0.00 51.96 53.08 1u1p s ALA 89 Cb -0.48 -3.61 -0.02 0.00 0.00 0.00 0.00 23.12 19.00 1u1p s ALA 89 CO 0.48 -1.05 0.63 0.08 0.00 0.00 0.00 175.76 175.89 1u1p s VAL 90 N 3.01 5.02 0.75 0.00 1.01 -1.26 -4.91 120.40 124.02 1u1p s VAL 90 Ca 0.61 1.19 -0.15 0.00 0.00 0.00 0.00 61.98 63.62 1u1p s VAL 90 Cb -0.27 -3.95 0.00 0.00 0.00 0.00 0.00 36.38 32.17 1u1p s VAL 90 CO 0.22 0.11 0.81 -1.54 0.00 0.00 0.00 175.10 174.70 1u1p n SER 91 N 5.07 -0.18 -0.34 3.32 3.41 -1.26 -4.62 113.62 119.02 1u1p n SER 91 Ca -0.01 0.61 0.07 0.00 -0.26 0.00 0.00 58.87 59.27 1u1p n SER 91 Cb 0.50 -1.34 0.26 0.00 -0.26 0.00 0.00 64.21 63.36 1u1p n SER 91 CO 0.00 0.00 0.00 0.03 -0.16 0.00 0.00 175.04 174.91 1u1p h ARG 92 N -0.47 0.94 0.05 4.33 3.08 -1.98 0.19 114.38 120.53 1u1p h ARG 92 Ca -0.46 -0.06 -0.00 0.00 0.07 0.00 0.00 59.98 59.53 1u1p h ARG 92 Cb 1.33 -0.21 0.00 0.00 0.08 0.00 0.00 29.97 31.17 1u1p h ARG 92 CO 0.44 0.62 -0.02 1.49 -1.07 0.00 0.00 179.97 181.44 1u1p h GLU 93 N 0.97 -0.06 0.00 0.04 4.81 -2.03 -3.01 114.58 115.30 1u1p h GLU 93 Ca 0.47 0.00 -0.03 0.00 -0.13 0.00 0.00 59.36 59.67 1u1p h GLU 93 Cb 0.45 0.01 -0.00 0.00 0.63 0.00 0.00 28.75 29.84 1u1p h GLU 93 CO -0.23 0.09 -0.13 -0.44 -0.73 0.00 0.00 179.01 177.57 1u1p h ASP 94 N -0.20 0.00 0.24 1.04 3.32 -1.74 -2.97 116.42 116.11 1u1p h ASP 94 Ca -0.01 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.04 1u1p h ASP 94 Cb 0.18 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.73 1u1p h ASP 94 CO 0.01 0.13 0.00 -1.54 -1.72 0.00 0.00 179.24 176.12 1u1p n SER 95 N -3.24 0.00 0.13 6.45 3.41 0.62 -2.18 113.62 118.82 1u1p n SER 95 Ca 0.01 -0.15 0.13 0.00 -0.26 0.00 0.00 58.87 58.59 1u1p n SER 95 Cb 0.42 -0.20 0.29 0.00 -0.26 0.00 0.00 64.21 64.45 1u1p n SER 95 CO 0.00 0.00 0.00 1.56 -0.16 0.00 0.00 175.04 176.44 1u1p h GLN 96 N 0.00 0.00 -6.87 4.33 1.08 -1.58 -3.46 115.11 108.61 1u1p h GLN 96 Ca 0.00 0.00 -0.48 0.00 -1.45 0.00 0.00 58.65 56.72 1u1p h GLN 96 Cb 0.12 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.54 1u1p h GLN 96 CO 0.00 0.00 0.38 1.03 -0.95 0.00 0.00 178.83 179.29 1u1p s ARG 97 N -3.15 4.54 0.23 1.46 1.81 -0.93 -4.99 118.95 117.92 1u1p s ARG 97 Ca 0.08 1.46 -0.31 0.00 -1.72 0.00 0.00 55.73 55.25 1u1p s ARG 97 Cb 0.10 -2.87 -0.11 0.00 -0.45 0.00 0.00 34.95 31.62 1u1p s ARG 97 CO 0.64 0.21 1.60 -2.14 -0.68 0.00 0.00 175.30 174.94 1u1p s PRO 98 N -1.93 4.17 0.00 3.54 0.02 -1.26 -2.28 135.00 137.26 1u1p s PRO 98 Ca 0.50 2.50 0.00 0.00 0.02 0.00 0.00 61.00 64.01 1u1p s PRO 98 Cb -0.22 -3.08 0.00 0.00 0.02 0.00 0.00 34.50 31.21 1u1p s PRO 98 CO 0.28 -0.63 0.00 0.41 -0.33 0.00 0.00 177.00 176.73 1u1p n GLY 99 N 3.08 0.59 0.46 0.52 0.00 -1.26 -4.88 105.19 103.69 1u1p n GLY 99 Ca 0.12 0.00 0.27 0.00 0.00 0.00 0.00 46.02 46.41 1u1p n GLY 99 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1u1p h ALA 100 N 0.00 2.67 -0.53 4.61 0.00 -1.76 0.11 119.26 124.36 1u1p h ALA 100 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1u1p h ALA 100 Cb 0.08 0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.93 1u1p h ALA 100 CO 0.00 -1.10 0.00 0.72 0.00 0.00 0.00 179.25 178.87 1u1p n HIS 101 N -3.95 1.05 -2.73 0.00 8.25 -1.26 -4.99 115.22 111.59 1u1p n HIS 101 Ca 0.17 -0.60 -0.34 0.00 -0.26 0.00 0.00 57.72 56.69 1u1p n HIS 101 Cb 0.97 -0.15 -0.06 0.00 1.12 0.00 0.00 29.99 31.86 1u1p n HIS 101 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 1u1p s LEU 102 N -1.60 3.97 -0.72 2.41 1.43 0.02 -4.99 118.68 119.20 1u1p s LEU 102 Ca 0.42 1.79 -0.21 0.00 -1.03 0.00 0.00 54.13 55.10 1u1p s LEU 102 Cb 0.26 -4.47 0.09 0.00 0.03 0.00 0.00 46.19 42.11 1u1p s LEU 102 CO 0.22 -0.45 0.95 -0.89 0.23 0.00 0.00 176.35 176.41 1u1p s THR 103 N -2.04 4.54 0.19 5.49 2.01 -1.26 -5.01 115.64 119.57 1u1p s THR 103 Ca 0.62 -0.83 0.10 0.00 0.31 0.00 0.00 61.69 61.89 1u1p s THR 103 Cb -0.13 -4.67 -0.04 0.00 0.01 0.00 0.00 72.50 67.67 1u1p s THR 103 CO 0.17 -1.40 -0.21 0.68 -0.69 0.00 0.00 174.62 173.17 1u1p s VAL 104 N 3.39 2.14 -1.07 3.82 -7.23 -1.26 -5.04 120.40 115.14 1u1p s VAL 104 Ca 0.23 -2.05 0.11 0.00 -1.81 0.00 0.00 61.98 58.46 1u1p s VAL 104 Cb -0.15 -2.03 0.02 0.00 0.56 0.00 0.00 36.38 34.77 1u1p s VAL 104 CO 0.04 -0.25 0.70 0.29 -0.31 0.00 0.00 175.10 175.57 1u1p n LYS 105 N 0.13 1.74 -5.07 4.82 5.02 -1.26 -4.50 118.16 119.04 1u1p n LYS 105 Ca -0.12 -0.74 -0.32 0.00 -2.02 0.00 0.00 58.31 55.12 1u1p n LYS 105 Cb 0.57 -1.13 -0.15 0.00 -0.02 0.00 0.00 35.03 34.31 1u1p n LYS 105 CO 0.00 0.00 0.00 0.21 -0.52 0.00 0.00 177.40 177.09 1u1p s LYS 106 N -1.33 2.23 0.13 1.97 2.20 -1.26 -0.18 119.74 123.50 1u1p s LYS 106 Ca 0.10 -0.86 0.10 0.00 -0.36 0.00 0.00 55.97 54.95 1u1p s LYS 106 Cb 0.09 -2.17 -0.04 0.00 -1.51 0.00 0.00 37.83 34.20 1u1p s LYS 106 CO 0.25 0.58 -0.24 0.96 -0.36 0.00 0.00 175.35 176.54 1u1p s ILE 107 N -0.70 2.46 -0.18 5.43 -4.36 -0.50 -1.28 121.20 122.07 1u1p s ILE 107 Ca 0.11 -1.70 -0.12 0.00 -0.26 0.00 0.00 60.65 58.67 1u1p s ILE 107 Cb -0.10 -2.11 -0.05 0.00 1.25 0.00 0.00 42.46 41.45 1u1p s ILE 107 CO 0.00 0.07 0.24 0.12 0.24 0.00 0.00 174.94 175.61 1u1p s PHE 108 N -1.15 3.44 -0.27 1.37 5.36 0.15 -2.23 117.98 124.66 1u1p s PHE 108 Ca 0.16 0.49 -0.00 0.00 -0.96 0.00 0.00 56.93 56.62 1u1p s PHE 108 Cb -0.10 -2.28 0.04 0.00 -0.34 0.00 0.00 43.02 40.34 1u1p s PHE 108 CO 0.08 0.24 -0.06 0.08 -1.46 0.00 0.00 175.22 174.10 1u1p s VAL 109 N 0.48 2.70 0.11 3.12 1.01 0.29 -1.51 120.40 126.60 1u1p s VAL 109 Ca 0.13 -1.30 0.07 0.00 0.00 0.00 0.00 61.98 60.88 1u1p s VAL 109 Cb -0.12 -2.47 -0.04 0.00 0.00 0.00 0.00 36.38 33.74 1u1p s VAL 109 CO 0.02 0.05 -0.07 -0.83 0.00 0.00 0.00 175.10 174.27 1u1p s GLY 110 N 1.24 1.81 -0.06 4.51 0.00 0.88 -0.91 107.32 114.79 1u1p s GLY 110 Ca -0.04 -1.25 -0.00 0.00 0.00 0.00 0.00 44.72 43.43 1u1p s GLY 110 CO -0.04 -1.23 0.05 0.61 0.00 0.00 0.00 173.10 172.49 1u1p n GLY 111 N 0.55 0.87 3.89 0.20 0.00 -0.10 -1.29 105.19 109.30 1u1p n GLY 111 Ca -0.12 -0.65 -0.34 0.00 0.00 0.00 0.00 46.02 44.90 1u1p n GLY 111 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1u1p s ILE 112 N -2.96 5.37 0.79 -0.61 -4.36 -0.79 -4.70 121.20 113.94 1u1p s ILE 112 Ca 0.02 0.05 -0.14 0.00 -0.26 0.00 0.00 60.65 60.33 1u1p s ILE 112 Cb -0.01 -3.54 0.07 0.00 1.25 0.00 0.00 42.46 40.23 1u1p s ILE 112 CO 0.03 0.37 1.20 -0.54 0.24 0.00 0.00 174.94 176.24 1u1p s LYS 113 N -1.76 1.77 0.47 0.37 1.02 -1.26 -4.44 119.74 115.91 1u1p s LYS 113 Ca 0.26 1.75 0.32 0.00 0.02 0.00 0.00 55.97 58.32 1u1p s LYS 113 Cb -0.13 -1.79 1.47 0.00 -0.52 0.00 0.00 37.83 36.86 1u1p s LYS 113 CO 0.16 -2.11 1.96 0.93 -0.92 0.00 0.00 175.35 175.37 1u1p h GLU 114 N -0.75 0.00 -0.63 1.68 5.08 -1.97 -2.10 114.58 115.88 1u1p h GLU 114 Ca -0.47 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.89 1u1p h GLU 114 Cb 1.29 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.54 1u1p h GLU 114 CO 0.47 0.00 0.00 -0.40 -1.00 0.00 0.00 179.01 178.08 1u1p n ASP 115 N -2.77 5.00 -4.72 1.42 5.75 -1.26 -4.93 116.55 115.03 1u1p n ASP 115 Ca -0.00 -2.72 -0.42 0.00 -0.01 0.00 0.00 54.79 51.64 1u1p n ASP 115 Cb 0.21 -0.64 -0.03 0.00 -1.03 0.00 0.00 41.12 39.62 1u1p n ASP 115 CO 0.00 0.00 0.00 -0.89 -0.11 0.00 0.00 177.20 176.20 1u1p s THR 116 N -2.39 3.92 0.33 2.12 2.01 -0.79 -5.04 115.64 115.80 1u1p s THR 116 Ca 0.48 1.47 0.10 0.00 0.31 0.00 0.00 61.69 64.04 1u1p s THR 116 Cb 0.35 -3.94 -0.06 0.00 0.01 0.00 0.00 72.50 68.86 1u1p s THR 116 CO 0.16 0.17 -0.07 -1.61 -0.69 0.00 0.00 174.62 172.58 1u1p s GLU 117 N 0.53 1.92 0.32 4.92 2.02 -1.26 -5.04 118.70 122.10 1u1p s GLU 117 Ca 0.56 -1.83 0.06 0.00 0.02 0.00 0.00 54.97 53.78 1u1p s GLU 117 Cb -0.30 -1.81 0.71 0.00 0.10 0.00 0.00 34.13 32.83 1u1p s GLU 117 CO 0.32 0.17 1.83 0.93 0.02 0.00 0.00 175.26 178.53 1u1p h GLU 118 N 1.97 0.79 -0.09 1.61 5.08 -2.00 -0.11 114.58 121.83 1u1p h GLU 118 Ca -0.42 -0.05 -0.00 0.00 -1.00 0.00 0.00 59.36 57.89 1u1p h GLU 118 Cb 1.25 -0.18 -0.00 0.00 0.50 0.00 0.00 28.75 30.32 1u1p h GLU 118 CO 0.67 0.52 0.04 1.12 -1.00 0.00 0.00 179.01 180.36 1u1p h HIS 119 N 0.81 0.11 -0.28 4.33 2.07 -1.99 -0.46 115.15 119.75 1u1p h HIS 119 Ca 0.50 0.00 -0.02 0.00 -2.85 0.00 0.00 60.37 58.00 1u1p h HIS 119 Cb 0.71 -0.04 -0.01 0.00 2.57 0.00 0.00 27.41 30.64 1u1p h HIS 119 CO -0.00 0.09 0.09 0.45 -3.07 0.00 0.00 177.93 175.49 1u1p h HIS 120 N 0.12 0.44 -0.66 6.12 3.86 -1.42 -1.07 115.15 122.54 1u1p h HIS 120 Ca 0.03 -0.04 -0.06 0.00 -1.16 0.00 0.00 60.37 59.14 1u1p h HIS 120 Cb 0.03 -0.13 -0.03 0.00 1.06 0.00 0.00 27.41 28.34 1u1p h HIS 120 CO 0.00 0.47 0.19 -0.07 0.86 0.00 0.00 177.93 179.37 1u1p h LEU 121 N 0.29 0.98 -0.46 2.43 3.38 -1.20 -3.02 115.31 117.71 1u1p h LEU 121 Ca 0.09 -0.22 -0.06 0.00 0.09 0.00 0.00 57.88 57.79 1u1p h LEU 121 Cb 0.23 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.70 1u1p h LEU 121 CO -0.00 0.94 0.07 0.03 0.09 0.00 0.00 178.44 179.57 1u1p h ARG 122 N 0.97 0.77 -0.07 1.13 3.08 -0.96 -0.21 114.38 119.09 1u1p h ARG 122 Ca 0.21 -0.21 0.02 0.00 0.07 0.00 0.00 59.98 60.07 1u1p h ARG 122 Cb 0.32 -0.09 -0.00 0.00 0.08 0.00 0.00 29.97 30.28 1u1p h ARG 122 CO -0.00 0.79 0.10 -0.44 -1.07 0.00 0.00 179.97 179.34 1u1p h ASP 123 N 0.63 0.00 0.01 7.04 5.19 -1.07 -0.98 116.42 127.25 1u1p h ASP 123 Ca 0.14 0.00 -0.40 0.00 -0.62 0.00 0.00 57.03 56.15 1u1p h ASP 123 Cb 0.40 0.00 -0.06 0.00 0.18 0.00 0.00 39.33 39.85 1u1p h ASP 123 CO 0.01 0.00 -2.29 0.00 -3.12 0.00 0.00 179.24 173.84 1u1p n TYR 124 N -3.72 0.28 0.09 4.55 9.36 -1.07 -4.71 117.16 121.93 1u1p n TYR 124 Ca -0.01 0.09 -0.03 0.00 3.32 0.00 0.00 57.90 61.27 1u1p n TYR 124 Cb 0.19 -1.03 -0.06 0.00 -0.63 0.00 0.00 39.34 37.81 1u1p n TYR 124 CO 0.00 0.00 0.00 0.74 0.22 0.00 0.00 176.86 177.82 1u1p h PHE 125 N -0.60 0.00 -0.56 2.98 0.04 -0.90 -3.35 116.94 114.54 1u1p h PHE 125 Ca -0.59 0.00 0.12 0.00 2.80 0.00 0.00 57.97 60.30 1u1p h PHE 125 Cb 1.70 0.00 -0.03 0.00 2.20 0.00 0.00 35.95 39.82 1u1p h PHE 125 CO -0.01 0.79 0.39 0.93 -0.60 0.00 0.00 178.31 179.81 1u1p h GLU 126 N 0.00 0.25 -0.00 1.51 5.08 -1.38 -1.01 114.58 119.03 1u1p h GLU 126 Ca -0.03 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.32 1u1p h GLU 126 Cb 1.63 -0.06 -0.00 0.00 0.50 0.00 0.00 28.75 30.82 1u1p h GLU 126 CO 0.10 0.17 0.11 -0.56 -1.00 0.00 0.00 179.01 177.82 1u1p h GLN 127 N 0.26 0.00 0.00 2.33 3.07 -1.80 -1.89 115.11 117.07 1u1p h GLN 127 Ca 0.27 0.00 -0.01 0.00 0.09 0.00 0.00 58.65 58.99 1u1p h GLN 127 Cb 0.70 0.00 -0.00 0.00 0.08 0.00 0.00 27.48 28.26 1u1p h GLN 127 CO -0.06 0.00 -1.06 0.66 0.09 0.00 0.00 178.83 178.47 1u1p n TYR 128 N -3.05 0.96 0.00 0.06 4.02 -0.38 -5.05 117.16 113.71 1u1p n TYR 128 Ca -0.03 0.28 0.00 0.00 -0.01 0.00 0.00 57.90 58.15 1u1p n TYR 128 Cb 0.17 -0.96 0.00 0.00 -0.02 0.00 0.00 39.34 38.53 1u1p n TYR 128 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1u1p n GLY 129 N 1.20 -0.07 3.70 2.72 0.00 -0.71 -4.54 105.19 107.49 1u1p n GLY 129 Ca -0.01 -1.24 -0.42 0.00 0.00 0.00 0.00 46.02 44.35 1u1p n GLY 129 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1u1p s LYS 130 N -2.00 4.25 -0.10 1.61 2.47 -1.26 -4.53 119.74 120.18 1u1p s LYS 130 Ca 0.00 2.14 -0.18 0.00 -1.56 0.00 0.00 55.97 56.36 1u1p s LYS 130 Cb 0.00 -3.50 -0.04 0.00 -1.46 0.00 0.00 37.83 32.83 1u1p s LYS 130 CO 0.00 -0.61 0.49 0.42 0.16 0.00 0.00 175.35 175.82 1u1p s ILE 131 N 2.17 5.15 -0.23 5.43 1.01 -1.26 -2.05 121.20 131.42 1u1p s ILE 131 Ca 0.68 1.00 0.04 0.00 0.00 0.00 0.00 60.65 62.37 1u1p s ILE 131 Cb -0.36 -3.83 -0.17 0.00 0.01 0.00 0.00 42.46 38.11 1u1p s ILE 131 CO 0.29 0.34 -0.17 -0.62 0.00 0.00 0.00 174.94 174.79 1u1p n GLU 132 N 3.53 0.66 -3.84 2.79 -0.58 0.19 -4.94 120.64 118.45 1u1p n GLU 132 Ca -0.07 0.11 -0.12 0.00 -0.42 0.00 0.00 57.16 56.66 1u1p n GLU 132 Cb 0.52 -1.49 -0.12 0.00 -0.57 0.00 0.00 31.44 29.78 1u1p n GLU 132 CO 0.00 0.00 0.00 0.08 -0.48 0.00 0.00 177.13 176.73 1u1p s VAL 133 N -2.48 0.02 -0.04 2.62 1.01 -1.10 -4.99 120.40 115.45 1u1p s VAL 133 Ca -0.29 -0.20 0.01 0.00 0.00 0.00 0.00 61.98 61.50 1u1p s VAL 133 Cb 0.08 -0.28 0.02 0.00 0.00 0.00 0.00 36.38 36.20 1u1p s VAL 133 CO 0.60 -0.11 -0.04 -0.63 0.00 0.00 0.00 175.10 174.92 1u1p s ILE 134 N -0.34 0.47 -0.17 2.22 1.01 -1.26 -0.16 121.20 122.98 1u1p s ILE 134 Ca -0.04 -0.10 -0.05 0.00 0.00 0.00 0.00 60.65 60.46 1u1p s ILE 134 Cb -0.03 -0.50 0.06 0.00 0.01 0.00 0.00 42.46 42.00 1u1p s ILE 134 CO 0.01 0.20 0.10 -1.61 0.00 0.00 0.00 174.94 173.64 1u1p s GLU 135 N 0.83 0.07 -0.31 2.79 2.02 -0.09 -5.00 118.70 119.00 1u1p s GLU 135 Ca -0.11 -0.03 -0.21 0.00 0.02 0.00 0.00 54.97 54.65 1u1p s GLU 135 Cb -0.14 -1.70 -0.01 0.00 0.10 0.00 0.00 34.13 32.38 1u1p s GLU 135 CO -0.00 -0.65 0.64 0.42 0.02 0.00 0.00 175.26 175.69 1u1p s ILE 136 N 2.16 4.92 0.29 -1.63 1.01 -1.26 -0.44 121.20 126.24 1u1p s ILE 136 Ca 0.03 0.84 -0.29 0.00 0.00 0.00 0.00 60.65 61.22 1u1p s ILE 136 Cb -0.16 -4.03 -0.09 0.00 0.01 0.00 0.00 42.46 38.19 1u1p s ILE 136 CO -0.09 -0.18 1.07 -0.04 0.00 0.00 0.00 174.94 175.70 1u1p s MET 137 N 2.66 4.62 0.16 2.79 -1.94 -0.82 -5.01 119.30 121.75 1u1p s MET 137 Ca 0.26 1.73 0.04 0.00 -1.71 0.00 0.00 55.69 56.00 1u1p s MET 137 Cb -0.15 -3.13 -0.05 0.00 2.01 0.00 0.00 34.83 33.52 1u1p s MET 137 CO 0.12 0.21 -0.06 0.95 -0.01 0.00 0.00 175.02 176.23 1u1p s THR 138 N -1.22 1.00 0.24 2.05 -4.23 -1.26 -1.79 115.64 110.43 1u1p s THR 138 Ca 0.45 -2.03 -0.30 0.00 -1.18 0.00 0.00 61.69 58.64 1u1p s THR 138 Cb -0.30 -1.96 -0.09 0.00 1.34 0.00 0.00 72.50 71.49 1u1p s THR 138 CO 0.38 -0.64 1.13 -0.62 -0.54 0.00 0.00 174.62 174.33 1u1p s ASP 139 N -3.18 7.20 -0.67 3.99 -1.08 0.23 -4.86 116.67 118.31 1u1p s ASP 139 Ca 0.19 2.25 -0.27 0.00 -0.52 0.00 0.00 52.55 54.20 1u1p s ASP 139 Cb 0.04 -2.62 0.02 0.00 -1.46 0.00 0.00 42.92 38.90 1u1p s ASP 139 CO 0.02 -0.23 1.32 -0.13 0.52 0.00 0.00 175.17 176.67 1u1p s ARG 140 N -0.98 3.24 0.00 4.34 0.52 -1.26 -1.95 118.95 122.85 1u1p s ARG 140 Ca 0.48 0.03 0.00 0.00 -0.52 0.00 0.00 55.73 55.71 1u1p s ARG 140 Cb -0.32 -4.15 0.00 0.00 0.52 0.00 0.00 34.95 31.00 1u1p s ARG 140 CO 0.40 -2.06 0.00 0.41 0.02 0.00 0.00 175.30 174.06 1u1p n GLY 141 N 5.32 3.48 0.07 -3.53 0.00 -1.26 -4.87 105.19 104.39 1u1p n GLY 141 Ca 0.07 -0.83 0.11 0.00 0.00 0.00 0.00 46.02 45.36 1u1p n GLY 141 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1u1p n SER 142 N 0.00 0.48 -0.02 1.61 3.41 -1.24 -4.96 113.62 112.90 1u1p n SER 142 Ca 0.00 0.18 -0.00 0.00 -0.26 0.00 0.00 58.87 58.79 1u1p n SER 142 Cb 0.00 1.12 -0.00 0.00 -0.26 0.00 0.00 64.21 65.07 1u1p n SER 142 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1u1p n GLY 143 N 1.22 0.38 3.76 5.00 0.00 -0.82 -4.98 105.19 109.75 1u1p n GLY 143 Ca -0.02 -0.03 -0.39 0.00 0.00 0.00 0.00 46.02 45.58 1u1p n GLY 143 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1u1p s LYS 144 N -0.61 4.51 0.35 1.61 -0.14 -1.26 -4.61 119.74 119.59 1u1p s LYS 144 Ca 0.00 1.75 -0.28 0.00 -1.36 0.00 0.00 55.97 56.08 1u1p s LYS 144 Cb 0.00 -3.03 -0.10 0.00 -1.68 0.00 0.00 37.83 33.02 1u1p s LYS 144 CO 0.00 0.11 1.29 0.15 -0.76 0.00 0.00 175.35 176.14 1u1p s LYS 145 N -1.70 4.27 0.00 1.68 -0.14 -1.26 0.77 119.74 123.36 1u1p s LYS 145 Ca 0.48 2.17 0.23 0.00 -1.36 0.00 0.00 55.97 57.48 1u1p s LYS 145 Cb -0.30 -2.98 -0.00 0.00 -1.68 0.00 0.00 37.83 32.86 1u1p s LYS 145 CO 0.38 -0.25 1.09 0.54 -0.76 0.00 0.00 175.35 176.36 1u1p n ARG 146 N 0.63 1.20 -0.58 1.68 1.74 -0.74 -4.81 116.66 115.78 1u1p n ARG 146 Ca 0.01 -0.99 0.00 0.00 -0.77 0.00 0.00 57.85 56.10 1u1p n ARG 146 Cb 0.43 -1.48 0.00 0.00 -1.02 0.00 0.00 32.46 30.39 1u1p n ARG 146 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1u1p n GLY 147 N 1.42 0.68 3.48 -0.13 0.00 -1.26 -4.98 105.19 104.40 1u1p n GLY 147 Ca 0.09 -0.27 -0.09 0.00 0.00 0.00 0.00 46.02 45.75 1u1p n GLY 147 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1u1p s PHE 148 N -2.00 0.33 0.22 1.61 -0.12 -1.26 -0.93 117.98 115.83 1u1p s PHE 148 Ca 0.00 -0.68 -0.16 0.00 -0.05 0.00 0.00 56.93 56.04 1u1p s PHE 148 Cb 0.00 0.12 0.01 0.00 -0.63 0.00 0.00 43.02 42.52 1u1p s PHE 148 CO 0.00 -0.88 0.52 0.00 -0.05 0.00 0.00 175.22 174.81 1u1p s ALA 149 N -3.98 -0.69 -0.05 1.99 0.00 -0.09 -1.95 121.76 116.98 1u1p s ALA 149 Ca 0.19 -0.49 0.05 0.00 0.00 0.00 0.00 51.96 51.72 1u1p s ALA 149 Cb 0.01 0.92 -0.01 0.00 0.00 0.00 0.00 23.12 24.04 1u1p s ALA 149 CO 0.04 -0.84 -0.22 -0.06 0.00 0.00 0.00 175.76 174.68 1u1p s PHE 150 N -3.93 2.15 -0.08 0.00 0.08 0.41 -0.55 117.98 116.06 1u1p s PHE 150 Ca 0.14 -0.63 0.03 0.00 0.12 0.00 0.00 56.93 56.58 1u1p s PHE 150 Cb -0.01 -1.42 0.01 0.00 -0.57 0.00 0.00 43.02 41.03 1u1p s PHE 150 CO 0.02 -0.20 -0.15 0.08 -0.10 0.00 0.00 175.22 174.88 1u1p s VAL 151 N -0.09 1.38 -0.14 -0.44 1.01 -0.95 -0.92 120.40 120.26 1u1p s VAL 151 Ca -0.04 -0.61 -0.02 0.00 0.00 0.00 0.00 61.98 61.31 1u1p s VAL 151 Cb -0.13 -1.24 -0.03 0.00 0.00 0.00 0.00 36.38 34.99 1u1p s VAL 151 CO 0.03 0.41 -0.06 -0.89 0.00 0.00 0.00 175.10 174.60 1u1p s THR 152 N 0.64 3.75 0.41 3.92 2.01 0.78 -1.42 115.64 125.73 1u1p s THR 152 Ca -0.15 -0.42 0.08 0.00 0.31 0.00 0.00 61.69 61.51 1u1p s THR 152 Cb -0.16 -2.61 -0.04 0.00 0.01 0.00 0.00 72.50 69.70 1u1p s THR 152 CO 0.04 0.52 0.28 -0.36 -0.69 0.00 0.00 174.62 174.41 1u1p s PHE 153 N 0.15 2.67 -1.77 4.92 0.40 0.75 0.54 117.98 125.65 1u1p s PHE 153 Ca -0.02 -0.52 0.25 0.00 -0.60 0.00 0.00 56.93 56.04 1u1p s PHE 153 Cb -0.14 -2.05 0.54 0.00 0.51 0.00 0.00 43.02 41.88 1u1p s PHE 153 CO 0.03 0.04 1.43 -3.47 0.70 0.00 0.00 175.22 173.95 1u1p n ASP 154 N -1.39 1.24 -3.78 1.36 -0.08 -0.87 -4.74 116.55 108.29 1u1p n ASP 154 Ca 0.01 -1.02 -0.16 0.00 -1.51 0.00 0.00 54.79 52.12 1u1p n ASP 154 Cb 0.63 0.24 -0.16 0.00 2.34 0.00 0.00 41.12 44.17 1u1p n ASP 154 CO 0.00 0.00 0.00 -0.62 0.12 0.00 0.00 177.20 176.70 1u1p s ASP 155 N -2.53 0.20 0.54 1.67 2.15 -1.26 -5.02 116.67 112.42 1u1p s ASP 155 Ca 0.22 0.02 0.25 0.00 0.43 0.00 0.00 52.55 53.47 1u1p s ASP 155 Cb 0.19 -0.12 1.52 0.00 -0.30 0.00 0.00 42.92 44.21 1u1p s ASP 155 CO 0.55 -0.12 2.15 1.12 -0.17 0.00 0.00 175.17 178.70 1u1p h HIS 156 N 7.32 0.00 0.00 -5.34 2.07 -1.89 -1.36 115.15 115.95 1u1p h HIS 156 Ca -0.44 0.00 -0.03 0.00 -2.85 0.00 0.00 60.37 57.05 1u1p h HIS 156 Cb 1.12 0.00 -0.00 0.00 2.57 0.00 0.00 27.41 31.10 1u1p h HIS 156 CO 0.51 0.06 -0.14 0.22 -3.07 0.00 0.00 177.93 175.51 1u1p h ASP 157 N 0.00 0.00 -0.42 3.10 3.58 -1.95 -1.65 116.42 119.08 1u1p h ASP 157 Ca -0.00 0.00 -0.08 0.00 0.42 0.00 0.00 57.03 57.37 1u1p h ASP 157 Cb 0.14 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.17 1u1p h ASP 157 CO 0.01 0.14 -0.04 0.28 -2.88 0.00 0.00 179.24 176.75 1u1p h SER 158 N 0.00 0.76 -0.37 2.28 0.02 -1.48 -0.06 113.55 114.70 1u1p h SER 158 Ca -0.00 -0.33 -0.06 0.00 -0.84 0.00 0.00 61.79 60.56 1u1p h SER 158 Cb 0.54 -0.20 -0.01 0.00 0.14 0.00 0.00 62.40 62.86 1u1p h SER 158 CO 0.02 0.91 0.01 0.58 -1.14 0.00 0.00 176.83 177.21 1u1p h VAL 159 N 0.59 1.25 -0.61 2.27 2.07 -1.52 -2.83 116.25 117.48 1u1p h VAL 159 Ca 0.11 -0.96 -0.04 0.00 0.82 0.00 0.00 66.70 66.63 1u1p h VAL 159 Cb 0.54 1.15 -0.03 0.00 -1.52 0.00 0.00 31.29 31.43 1u1p h VAL 159 CO 0.03 0.32 0.22 0.44 0.02 0.00 0.00 177.57 178.60 1u1p h ASP 160 N 0.47 0.86 -0.02 0.57 3.32 -1.15 -1.05 116.42 119.42 1u1p h ASP 160 Ca 0.11 -0.19 -0.00 0.00 0.02 0.00 0.00 57.03 56.97 1u1p h ASP 160 Cb 0.44 -0.22 -0.00 0.00 0.22 0.00 0.00 39.33 39.77 1u1p h ASP 160 CO 0.02 0.81 0.01 0.11 -1.72 0.00 0.00 179.24 178.47 1u1p h LYS 161 N 0.85 0.03 0.06 3.56 1.57 -0.96 -2.55 116.57 119.14 1u1p h LYS 161 Ca 0.20 -0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.98 1u1p h LYS 161 Cb 0.24 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.54 1u1p h LYS 161 CO -0.01 0.02 -0.03 0.82 -0.57 0.00 0.00 179.45 179.68 1u1p h ILE 162 N 0.03 0.50 0.00 1.86 2.04 -1.15 -3.37 117.51 117.42 1u1p h ILE 162 Ca 0.01 -1.27 -0.00 0.00 1.00 0.00 0.00 64.86 64.60 1u1p h ILE 162 Cb -0.00 0.91 -0.00 0.00 -0.74 0.00 0.00 36.82 36.99 1u1p h ILE 162 CO -0.00 0.16 -0.01 -0.37 0.00 0.00 0.00 178.15 177.93 1u1p h VAL 163 N -1.00 0.17 0.00 1.67 -1.51 -1.14 -0.60 116.25 113.84 1u1p h VAL 163 Ca -0.01 -0.07 0.00 0.00 -1.23 0.00 0.00 66.70 65.39 1u1p h VAL 163 Cb 0.32 1.06 0.00 0.00 -2.13 0.00 0.00 31.29 30.54 1u1p h VAL 163 CO 0.01 0.01 0.00 2.30 -1.23 0.00 0.00 177.57 178.66 1u1p n ILE 164 N -3.32 0.12 -3.38 7.19 -5.35 -0.97 -4.77 119.36 108.88 1u1p n ILE 164 Ca -0.03 0.03 -0.27 0.00 -0.27 0.00 0.00 62.75 62.21 1u1p n ILE 164 Cb 0.10 -0.57 -0.03 0.00 -1.74 0.00 0.00 39.64 37.40 1u1p n ILE 164 CO 0.00 0.00 0.00 -1.10 -1.76 0.00 0.00 176.55 173.69 1u1p s GLN 165 N -2.67 3.58 -0.11 6.28 -1.52 -0.23 -5.04 119.66 119.94 1u1p s GLN 165 Ca 0.23 -0.12 -0.10 0.00 -1.95 0.00 0.00 55.36 53.42 1u1p s GLN 165 Cb 0.18 -2.67 -0.26 0.00 -0.22 0.00 0.00 33.01 30.04 1u1p s GLN 165 CO 0.43 0.22 0.42 -0.22 -0.25 0.00 0.00 175.29 175.89 1u1p h LYS 166 N 1.47 0.26 -6.55 2.91 3.64 -1.86 -3.48 116.57 112.96 1u1p h LYS 166 Ca -0.48 -0.45 -0.68 0.00 -1.27 0.00 0.00 60.65 57.77 1u1p h LYS 166 Cb 1.20 0.17 -0.19 0.00 -0.41 0.00 0.00 32.23 32.99 1u1p h LYS 166 CO 0.65 1.21 -0.77 0.71 -2.27 0.00 0.00 179.45 178.98 1u1p s TYR 167 N -2.53 2.65 -0.10 1.91 2.02 -1.26 -4.92 117.35 115.12 1u1p s TYR 167 Ca -0.22 -0.20 -0.04 0.00 -0.37 0.00 0.00 57.07 56.24 1u1p s TYR 167 Cb 0.06 -1.46 0.05 0.00 -0.40 0.00 0.00 41.96 40.21 1u1p s TYR 167 CO 0.77 0.34 0.21 -1.01 -1.57 0.00 0.00 175.55 174.28 1u1p s HIS 168 N -1.04 -0.29 -0.30 2.71 3.76 -1.26 -5.04 115.29 113.83 1u1p s HIS 168 Ca 0.17 0.76 -0.10 0.00 -0.15 0.00 0.00 55.06 55.73 1u1p s HIS 168 Cb -0.11 -0.12 -0.02 0.00 1.11 0.00 0.00 32.58 33.44 1u1p s HIS 168 CO 0.08 -0.29 0.17 0.99 -0.85 0.00 0.00 174.74 174.85 1u1p s THR 169 N 2.10 4.86 -0.08 1.30 2.01 -1.26 -0.57 115.64 124.00 1u1p s THR 169 Ca -0.00 -0.23 0.02 0.00 0.31 0.00 0.00 61.69 61.78 1u1p s THR 169 Cb -0.12 -3.43 0.02 0.00 0.01 0.00 0.00 72.50 68.98 1u1p s THR 169 CO -0.07 0.12 -0.11 -0.69 -0.69 0.00 0.00 174.62 173.17 1u1p s VAL 170 N 1.67 1.12 -1.35 3.82 1.01 -0.10 -4.77 120.40 121.80 1u1p s VAL 170 Ca 0.06 -0.44 -0.05 0.00 0.00 0.00 0.00 61.98 61.54 1u1p s VAL 170 Cb -0.17 -1.05 0.02 0.00 0.00 0.00 0.00 36.38 35.19 1u1p s VAL 170 CO 0.08 0.36 0.94 -3.20 0.00 0.00 0.00 175.10 173.27 1u1p n ASN 171 N 4.06 -3.31 0.00 3.32 5.15 -1.26 -2.62 115.26 120.60 1u1p n ASN 171 Ca -0.21 -0.71 0.00 0.00 -0.60 0.00 0.00 54.58 53.06 1u1p n ASN 171 Cb 0.51 -4.46 0.00 0.00 -0.53 0.00 0.00 39.78 35.31 1u1p n ASN 171 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1u1p n GLY 172 N -1.59 2.84 3.24 8.20 0.00 -1.26 -4.96 105.19 111.65 1u1p n GLY 172 Ca -0.15 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.73 1u1p n GLY 172 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1u1p s HIS 173 N -2.04 1.20 0.54 1.61 3.76 -1.08 -5.07 115.29 114.21 1u1p s HIS 173 Ca 0.00 -0.93 -0.20 0.00 -0.15 0.00 0.00 55.06 53.77 1u1p s HIS 173 Cb 0.00 -0.67 -0.05 0.00 1.11 0.00 0.00 32.58 32.97 1u1p s HIS 173 CO 0.00 -0.12 1.20 1.21 -0.85 0.00 0.00 174.74 176.19 1u1p s ASN 174 N -3.16 5.56 0.03 1.40 3.84 -1.26 -0.92 114.94 120.43 1u1p s ASN 174 Ca 0.20 2.38 -0.04 0.00 0.21 0.00 0.00 52.86 55.62 1u1p s ASN 174 Cb 0.05 -2.60 -0.01 0.00 -0.55 0.00 0.00 41.25 38.13 1u1p s ASN 174 CO 0.02 -1.34 0.06 0.00 -2.79 0.00 0.00 177.10 173.05 1u1p s GLU 176 N -2.25 4.25 -0.09 0.00 2.12 -0.41 -4.02 118.70 118.30 1u1p s GLU 176 Ca -0.08 0.60 0.02 0.00 0.36 0.00 0.00 54.97 55.87 1u1p s GLU 176 Cb -0.04 -3.34 0.01 0.00 0.26 0.00 0.00 34.13 31.02 1u1p s GLU 176 CO -0.03 0.38 -0.16 0.08 -0.54 0.00 0.00 175.26 174.99 1u1p s VAL 177 N -0.16 1.47 0.06 3.70 1.01 -1.26 -0.08 120.40 125.14 1u1p s VAL 177 Ca 0.28 -0.66 0.00 0.00 0.00 0.00 0.00 61.98 61.61 1u1p s VAL 177 Cb -0.17 -1.33 -0.04 0.00 0.00 0.00 0.00 36.38 34.84 1u1p s VAL 177 CO 0.15 0.43 -0.05 -0.13 0.00 0.00 0.00 175.10 175.50 1u1p s ARG 178 N 0.74 0.66 0.42 2.72 0.52 -0.57 -4.80 118.95 118.64 1u1p s ARG 178 Ca -0.12 -1.18 -0.26 0.00 -0.52 0.00 0.00 55.73 53.65 1u1p s ARG 178 Cb -0.16 0.02 -0.09 0.00 0.52 0.00 0.00 34.95 35.24 1u1p s ARG 178 CO 0.03 -0.06 1.41 0.15 0.02 0.00 0.00 175.30 176.84 1u1p s LYS 179 N -3.52 3.89 0.19 3.54 1.02 -1.26 0.32 119.74 123.91 1u1p s LYS 179 Ca 0.06 2.39 -0.30 0.00 0.02 0.00 0.00 55.97 58.14 1u1p s LYS 179 Cb 0.04 -2.78 -0.08 0.00 -0.52 0.00 0.00 37.83 34.50 1u1p s LYS 179 CO -0.07 -0.64 1.10 0.00 -0.92 0.00 0.00 175.35 174.82 1u1p s ALA 180 N -1.19 3.37 -0.03 5.17 0.00 -0.41 -4.55 121.76 124.13 1u1p s ALA 180 Ca 0.57 0.82 0.04 0.00 0.00 0.00 0.00 51.96 53.40 1u1p s ALA 180 Cb -0.43 -3.35 -0.03 0.00 0.00 0.00 0.00 23.12 19.32 1u1p s ALA 180 CO 0.56 -0.20 -0.14 -0.51 0.00 0.00 0.00 175.76 175.47 1u1p s LEU 181 N -0.50 2.75 0.93 0.00 1.43 -1.26 -4.96 118.68 117.08 1u1p s LEU 181 Ca 0.49 -0.24 -0.12 0.00 -1.03 0.00 0.00 54.13 53.24 1u1p s LEU 181 Cb -0.30 -1.58 0.15 0.00 0.03 0.00 0.00 46.19 44.50 1u1p s LEU 181 CO 0.35 0.32 1.09 -0.94 0.23 0.00 0.00 176.35 177.41 1u1p s SER 182 N -0.95 3.08 0.23 2.29 1.04 -1.26 -4.67 113.70 113.46 1u1p s SER 182 Ca 0.13 1.57 -0.07 0.00 0.48 0.00 0.00 55.95 58.06 1u1p s SER 182 Cb -0.11 -2.23 0.36 0.00 0.10 0.00 0.00 66.02 64.15 1u1p s SER 182 CO 0.02 -2.90 1.73 0.50 0.98 0.00 0.00 173.24 173.57 1u1p h LYS 183 N -1.73 0.38 -0.17 4.02 3.64 -1.99 0.17 116.57 120.88 1u1p h LYS 183 Ca -0.50 -0.02 -0.16 0.00 -1.27 0.00 0.00 60.65 58.69 1u1p h LYS 183 Cb 1.29 -0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 33.02 1u1p h LYS 183 CO 0.52 0.25 -0.56 1.96 -2.27 0.00 0.00 179.45 179.36 1u1p h GLN 184 N 0.39 0.53 -0.68 1.90 4.20 -1.99 -2.27 115.11 117.19 1u1p h GLN 184 Ca 0.36 -0.34 -0.06 0.00 0.06 0.00 0.00 58.65 58.67 1u1p h GLN 184 Cb 0.51 0.04 -0.03 0.00 0.30 0.00 0.00 27.48 28.30 1u1p h GLN 184 CO -0.37 0.95 0.19 0.93 -0.67 0.00 0.00 178.83 179.85 1u1p h GLU 185 N 0.40 1.07 -0.44 1.46 5.08 -1.57 -0.52 114.58 120.06 1u1p h GLU 185 Ca 0.01 -0.23 0.01 0.00 -1.00 0.00 0.00 59.36 58.14 1u1p h GLU 185 Cb 1.10 -0.15 -0.02 0.00 0.50 0.00 0.00 28.75 30.18 1u1p h GLU 185 CO 0.10 0.93 0.29 0.52 -1.00 0.00 0.00 179.01 179.85 1u1p h MET 186 N 1.02 0.57 -0.62 2.33 2.86 -0.59 -1.42 114.93 119.08 1u1p h MET 186 Ca 0.22 -0.03 -0.08 0.00 -2.06 0.00 0.00 59.70 57.75 1u1p h MET 186 Cb 0.33 -0.13 -0.03 0.00 0.06 0.00 0.00 31.60 31.83 1u1p h MET 186 CO -0.00 0.38 0.09 0.00 1.06 0.00 0.00 176.91 178.43 1u1p h ALA 187 N 1.16 0.98 0.00 6.32 0.00 -0.92 -2.85 119.26 123.96 1u1p h ALA 187 Ca 0.16 -0.26 -0.11 0.00 0.00 0.00 0.00 54.91 54.70 1u1p h ALA 187 Cb -0.06 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.48 1u1p h ALA 187 CO -0.04 0.64 -0.52 0.77 0.00 0.00 0.00 179.25 180.10 1u1p h SER 188 N 0.96 0.00 1.22 0.00 0.02 -0.81 -3.14 113.55 111.79 1u1p h SER 188 Ca 0.19 0.00 -0.06 0.00 -0.84 0.00 0.00 61.79 61.08 1u1p h SER 188 Cb 0.43 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.96 1u1p h SER 188 CO 0.01 0.52 -0.30 0.00 -1.14 0.00 0.00 176.83 175.92 1u1p h ALA 189 N 1.48 0.90 -0.03 3.77 0.00 -1.04 -3.51 119.26 120.83 1u1p h ALA 189 Ca -0.01 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.64 1u1p h ALA 189 Cb 0.92 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.67 1u1p h ALA 189 CO 0.07 0.37 0.00 -1.13 0.00 0.00 0.00 179.25 178.56