#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1j1u n ASP 2 N 0.00 -0.55 -0.08 3.17 2.03 -1.26 -4.75 116.55 115.11 1j1u n ASP 2 Ca 0.00 0.00 -0.07 0.00 0.52 0.00 0.00 54.79 55.24 1j1u n ASP 2 Cb 0.00 -0.27 0.00 0.00 -0.72 0.00 0.00 41.12 40.13 1j1u n ASP 2 CO 0.00 0.00 0.00 -0.33 -1.92 0.00 0.00 177.20 174.95 1j1u h GLU 3 N 0.00 0.13 -0.09 -0.67 5.08 -2.00 -1.17 114.58 115.87 1j1u h GLU 3 Ca 0.00 -0.01 0.04 0.00 -1.00 0.00 0.00 59.36 58.39 1j1u h GLU 3 Cb 0.00 -0.03 -0.04 0.00 0.50 0.00 0.00 28.75 29.17 1j1u h GLU 3 CO 0.00 0.09 -0.18 0.35 -1.00 0.00 0.00 179.01 178.27 1j1u h PHE 4 N 0.14 -0.46 -0.01 4.33 3.57 -1.99 -0.87 116.94 121.65 1j1u h PHE 4 Ca 0.14 0.02 -0.08 0.00 3.53 0.00 0.00 57.97 61.58 1j1u h PHE 4 Cb 0.17 0.22 -0.01 0.00 2.79 0.00 0.00 35.95 39.11 1j1u h PHE 4 CO -0.19 -0.25 -0.39 0.93 -2.23 0.00 0.00 178.31 176.17 1j1u h GLU 5 N -0.24 0.03 -0.47 1.11 4.39 -1.81 0.42 114.58 118.00 1j1u h GLU 5 Ca 0.08 -0.01 -0.09 0.00 0.34 0.00 0.00 59.36 59.69 1j1u h GLU 5 Cb 0.36 -0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 28.99 1j1u h GLU 5 CO -0.23 0.42 -0.04 1.98 -1.16 0.00 0.00 179.01 179.98 1j1u h MET 6 N 0.02 0.86 -0.42 2.33 4.05 -0.48 0.47 114.93 121.76 1j1u h MET 6 Ca -0.00 -0.29 -0.11 0.00 -0.28 0.00 0.00 59.70 59.02 1j1u h MET 6 Cb 0.71 -0.07 -0.01 0.00 -0.80 0.00 0.00 31.60 31.43 1j1u h MET 6 CO 0.05 0.92 -0.17 0.82 0.23 0.00 0.00 176.91 178.77 1j1u h ILE 7 N 0.71 1.28 0.00 1.77 2.04 -0.67 -3.08 117.51 119.55 1j1u h ILE 7 Ca 0.13 -1.30 -0.04 0.00 1.00 0.00 0.00 64.86 64.65 1j1u h ILE 7 Cb 0.56 1.23 -0.01 0.00 -0.74 0.00 0.00 36.82 37.87 1j1u h ILE 7 CO 0.03 0.44 -0.18 0.50 0.00 0.00 0.00 178.15 178.93 1j1u h LYS 8 N 0.67 0.00 -6.37 2.37 3.64 0.14 -3.44 116.57 113.58 1j1u h LYS 8 Ca 0.10 0.00 -0.62 0.00 -1.27 0.00 0.00 60.65 58.86 1j1u h LYS 8 Cb 0.72 0.00 0.04 0.00 -0.41 0.00 0.00 32.23 32.58 1j1u h LYS 8 CO 0.05 0.18 0.87 -2.13 -2.27 0.00 0.00 179.45 176.16 1j1u n ARG 9 N -3.71 1.95 -1.17 1.90 0.63 0.13 -2.02 116.66 114.37 1j1u n ARG 9 Ca -0.02 0.71 -0.06 0.00 -0.92 0.00 0.00 57.85 57.56 1j1u n ARG 9 Cb 0.30 -2.48 -0.03 0.00 0.45 0.00 0.00 32.46 30.70 1j1u n ARG 9 CO 0.00 0.00 0.00 0.09 -2.51 0.00 0.00 177.63 175.21 1j1u n ASN 10 N 4.58 -4.58 -4.91 6.15 3.02 -1.26 -5.02 115.26 113.23 1j1u n ASN 10 Ca 0.20 0.15 -0.27 0.00 -0.03 0.00 0.00 54.58 54.62 1j1u n ASN 10 Cb 0.26 -2.61 -0.01 0.00 -0.61 0.00 0.00 39.78 36.81 1j1u n ASN 10 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 1j1u s THR 11 N -1.94 4.95 0.03 3.41 -4.23 -0.85 -4.47 115.64 112.53 1j1u s THR 11 Ca 0.00 0.10 0.07 0.00 -1.18 0.00 0.00 61.69 60.68 1j1u s THR 11 Cb 0.00 -3.83 -0.23 0.00 1.34 0.00 0.00 72.50 69.78 1j1u s THR 11 CO 0.00 -0.66 0.93 0.28 -0.54 0.00 0.00 174.62 174.63 1j1u h SER 12 N 0.71 0.08 -4.00 3.99 0.02 -0.58 -3.46 113.55 110.31 1j1u h SER 12 Ca -0.48 -0.12 0.17 0.00 -0.84 0.00 0.00 61.79 60.53 1j1u h SER 12 Cb 1.20 -0.03 -0.22 0.00 0.14 0.00 0.00 62.40 63.50 1j1u h SER 12 CO 0.63 1.10 0.71 -1.83 -1.14 0.00 0.00 176.83 176.30 1j1u s GLU 13 N -2.64 0.41 -0.11 3.45 -1.05 -1.12 -5.01 118.70 112.64 1j1u s GLU 13 Ca -0.04 -0.02 0.00 0.00 -0.15 0.00 0.00 54.97 54.76 1j1u s GLU 13 Cb 0.08 0.19 0.02 0.00 -0.44 0.00 0.00 34.13 33.99 1j1u s GLU 13 CO 0.83 -0.15 -0.09 0.42 0.95 0.00 0.00 175.26 177.21 1j1u s ILE 14 N -1.75 1.08 -0.37 1.83 1.01 -1.26 -0.93 121.20 120.81 1j1u s ILE 14 Ca 0.05 -0.35 -0.00 0.00 0.00 0.00 0.00 60.65 60.35 1j1u s ILE 14 Cb -0.01 -1.07 0.10 0.00 0.01 0.00 0.00 42.46 41.49 1j1u s ILE 14 CO -0.04 0.37 0.13 -0.63 0.00 0.00 0.00 174.94 174.77 1j1u s ILE 15 N 1.47 2.91 0.21 2.92 -1.09 0.59 -3.42 121.20 124.79 1j1u s ILE 15 Ca 0.01 -2.08 0.10 0.00 -2.23 0.00 0.00 60.65 56.45 1j1u s ILE 15 Cb -0.13 -3.00 -0.04 0.00 -1.58 0.00 0.00 42.46 37.70 1j1u s ILE 15 CO -0.06 -0.59 -0.13 -0.94 -1.23 0.00 0.00 174.94 171.98 1j1u s SER 16 N 1.46 4.00 0.26 3.58 1.04 -1.26 -1.02 113.70 121.76 1j1u s SER 16 Ca 0.08 -0.72 -0.03 0.00 0.48 0.00 0.00 55.95 55.76 1j1u s SER 16 Cb -0.21 -0.57 0.39 0.00 0.10 0.00 0.00 66.02 65.73 1j1u s SER 16 CO -0.05 0.08 1.89 -0.33 0.98 0.00 0.00 173.24 175.81 1j1u h GLU 17 N 2.75 1.17 -0.38 4.02 5.08 -1.96 -0.07 114.58 125.17 1j1u h GLU 17 Ca -0.45 -0.07 0.00 0.00 -1.00 0.00 0.00 59.36 57.84 1j1u h GLU 17 Cb 1.22 -0.26 -0.02 0.00 0.50 0.00 0.00 28.75 30.19 1j1u h GLU 17 CO 0.54 0.77 0.24 1.49 -1.00 0.00 0.00 179.01 181.06 1j1u h GLU 18 N 1.20 0.51 -0.58 2.33 4.57 -1.98 0.35 114.58 120.98 1j1u h GLU 18 Ca 0.43 -0.04 -0.08 0.00 -1.18 0.00 0.00 59.36 58.49 1j1u h GLU 18 Cb 0.13 -0.11 -0.02 0.00 -0.16 0.00 0.00 28.75 28.59 1j1u h GLU 18 CO -0.16 0.37 0.05 0.93 -1.18 0.00 0.00 179.01 179.01 1j1u h GLU 19 N 0.51 0.97 -0.73 1.92 5.08 -1.81 -0.90 114.58 119.62 1j1u h GLU 19 Ca 0.14 -0.27 -0.05 0.00 -1.00 0.00 0.00 59.36 58.18 1j1u h GLU 19 Cb -0.02 -0.11 -0.03 0.00 0.50 0.00 0.00 28.75 29.09 1j1u h GLU 19 CO -0.03 0.93 0.25 1.25 -1.00 0.00 0.00 179.01 180.41 1j1u h LEU 20 N 0.90 1.05 -1.53 1.33 6.46 0.14 -0.85 115.31 122.82 1j1u h LEU 20 Ca 0.17 -0.20 0.03 0.00 -0.12 0.00 0.00 57.88 57.77 1j1u h LEU 20 Cb 0.47 -0.27 -0.03 0.00 -0.73 0.00 0.00 40.66 40.09 1j1u h LEU 20 CO 0.02 0.97 0.35 0.03 -0.62 0.00 0.00 178.44 179.18 1j1u h ARG 21 N 1.07 0.60 -0.28 1.25 3.08 0.57 0.45 114.38 121.11 1j1u h ARG 21 Ca 0.24 -0.04 -0.14 0.00 0.07 0.00 0.00 59.98 60.11 1j1u h ARG 21 Cb 0.28 -0.13 -0.00 0.00 0.08 0.00 0.00 29.97 30.19 1j1u h ARG 21 CO -0.01 0.39 -0.37 0.93 -1.07 0.00 0.00 179.97 179.85 1j1u h GLU 22 N 0.61 0.74 -0.94 0.04 5.08 -0.16 -2.89 114.58 117.07 1j1u h GLU 22 Ca 0.21 -0.42 0.05 0.00 -1.00 0.00 0.00 59.36 58.20 1j1u h GLU 22 Cb 0.08 0.03 -0.06 0.00 0.50 0.00 0.00 28.75 29.30 1j1u h GLU 22 CO -0.05 1.05 0.60 0.28 -1.00 0.00 0.00 179.01 179.89 1j1u h VAL 23 N 0.49 1.10 0.00 3.13 2.07 -0.21 -1.54 116.25 121.28 1j1u h VAL 23 Ca 0.03 -0.38 -0.00 0.00 0.82 0.00 0.00 66.70 67.17 1j1u h VAL 23 Cb 0.95 -0.12 -0.00 0.00 -1.52 0.00 0.00 31.29 30.61 1j1u h VAL 23 CO 0.09 0.20 -0.02 -0.07 0.02 0.00 0.00 177.57 177.79 1j1u h LEU 24 N 1.12 0.00 -1.32 2.57 3.38 -0.73 -2.16 115.31 118.16 1j1u h LEU 24 Ca 0.40 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.37 1j1u h LEU 24 Cb 0.11 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.86 1j1u h LEU 24 CO -0.16 0.02 0.00 0.11 0.09 0.00 0.00 178.44 178.51 1j1u h LYS 25 N 0.00 0.00 -7.07 1.13 1.57 -1.27 -3.44 116.57 107.49 1j1u h LYS 25 Ca -0.00 0.00 -0.45 0.00 -1.87 0.00 0.00 60.65 58.33 1j1u h LYS 25 Cb 0.10 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.40 1j1u h LYS 25 CO 0.00 0.00 0.36 0.15 -0.57 0.00 0.00 179.45 179.39 1j1u s LYS 26 N -3.58 4.06 0.29 3.15 1.02 -0.81 -4.93 119.74 118.93 1j1u s LYS 26 Ca 0.02 1.20 0.24 0.00 0.02 0.00 0.00 55.97 57.44 1j1u s LYS 26 Cb 0.09 -2.15 0.35 0.00 -0.52 0.00 0.00 37.83 35.61 1j1u s LYS 26 CO 0.47 -0.19 1.46 -0.44 -0.92 0.00 0.00 175.35 175.74 1j1u h ASP 27 N 1.72 0.00 -3.22 2.83 3.32 -1.88 -3.43 116.42 115.76 1j1u h ASP 27 Ca -0.49 -0.04 -0.58 0.00 0.02 0.00 0.00 57.03 55.95 1j1u h ASP 27 Cb 1.19 0.00 -0.35 0.00 0.22 0.00 0.00 39.33 40.39 1j1u h ASP 27 CO 0.60 0.02 -0.83 -1.61 -1.72 0.00 0.00 179.24 175.70 1j1u s GLU 28 N -3.22 2.09 0.01 3.56 2.02 -1.26 -5.04 118.70 116.86 1j1u s GLU 28 Ca 0.06 -0.50 -0.26 0.00 0.02 0.00 0.00 54.97 54.29 1j1u s GLU 28 Cb 0.09 -1.86 0.06 0.00 0.10 0.00 0.00 34.13 32.52 1j1u s GLU 28 CO 0.69 -0.14 0.59 -1.59 0.02 0.00 0.00 175.26 174.83 1j1u s LYS 29 N 1.22 1.05 0.10 1.61 -2.85 -1.26 -5.08 119.74 114.53 1j1u s LYS 29 Ca -0.02 -0.03 0.04 0.00 -1.00 0.00 0.00 55.97 54.96 1j1u s LYS 29 Cb -0.14 0.49 -0.04 0.00 -2.06 0.00 0.00 37.83 36.08 1j1u s LYS 29 CO -0.05 -0.37 -0.11 -1.54 0.10 0.00 0.00 175.35 173.39 1j1u s SER 30 N -1.67 1.53 0.01 0.03 1.04 -1.26 -0.99 113.70 112.38 1j1u s SER 30 Ca -0.08 -0.80 -0.07 0.00 0.48 0.00 0.00 55.95 55.49 1j1u s SER 30 Cb -0.01 -0.01 -0.00 0.00 0.10 0.00 0.00 66.02 66.11 1j1u s SER 30 CO 0.03 -0.24 0.12 0.00 0.98 0.00 0.00 173.24 174.13 1j1u s ALA 31 N -2.32 -0.27 0.24 5.32 0.00 -0.94 -1.74 121.76 122.05 1j1u s ALA 31 Ca 0.05 -0.20 -0.02 0.00 0.00 0.00 0.00 51.96 51.79 1j1u s ALA 31 Cb -0.04 0.13 -0.03 0.00 0.00 0.00 0.00 23.12 23.18 1j1u s ALA 31 CO 0.01 -0.21 0.25 1.52 0.00 0.00 0.00 175.76 177.33 1j1u s TYR 32 N -1.48 1.07 -0.03 0.00 -0.00 -0.69 -1.81 117.35 114.41 1j1u s TYR 32 Ca -0.14 -1.28 -0.11 0.00 -0.00 0.00 0.00 57.07 55.54 1j1u s TYR 32 Cb -0.07 -0.39 0.02 0.00 -0.00 0.00 0.00 41.96 41.52 1j1u s TYR 32 CO 0.01 -0.79 0.24 -1.50 -0.00 0.00 0.00 175.55 173.51 1j1u s ILE 33 N -3.93 0.05 0.15 -3.49 2.07 -1.06 -1.22 121.20 113.78 1j1u s ILE 33 Ca 0.35 -0.44 0.09 0.00 -1.41 0.00 0.00 60.65 59.24 1j1u s ILE 33 Cb 0.04 -0.49 -0.04 0.00 0.13 0.00 0.00 42.46 42.10 1j1u s ILE 33 CO 0.14 -0.24 -0.13 -0.83 -1.91 0.00 0.00 174.94 171.97 1j1u s GLY 34 N -1.00 1.73 -0.03 1.50 0.00 -1.26 -0.62 107.32 107.64 1j1u s GLY 34 Ca -0.11 -1.40 0.01 0.00 0.00 0.00 0.00 44.72 43.22 1j1u s GLY 34 CO 0.02 -1.40 -0.04 -1.36 0.00 0.00 0.00 173.10 170.32 1j1u s PHE 35 N -1.42 0.64 0.16 1.90 0.40 0.01 -4.94 117.98 114.74 1j1u s PHE 35 Ca 0.22 -0.15 -0.31 0.00 -0.60 0.00 0.00 56.93 56.08 1j1u s PHE 35 Cb -0.10 -0.56 -0.09 0.00 0.51 0.00 0.00 43.02 42.78 1j1u s PHE 35 CO 0.13 -0.14 1.45 -1.21 0.70 0.00 0.00 175.22 176.15 1j1u s GLU 36 N 0.71 4.28 0.40 0.44 2.02 -1.26 -0.29 118.70 125.00 1j1u s GLU 36 Ca -0.09 2.21 -0.26 0.00 0.02 0.00 0.00 54.97 56.85 1j1u s GLU 36 Cb -0.12 -3.19 -0.11 0.00 0.10 0.00 0.00 34.13 30.81 1j1u s GLU 36 CO -0.00 -0.48 1.19 -2.30 0.02 0.00 0.00 175.26 173.70 1j1u n PRO 37 N 3.60 1.79 -4.29 0.39 -0.02 -1.26 -4.92 135.00 130.29 1j1u n PRO 37 Ca 0.11 0.63 -0.19 0.00 -2.02 0.00 0.00 63.50 62.04 1j1u n PRO 37 Cb 0.41 -2.25 -0.15 0.00 -0.02 0.00 0.00 33.50 31.48 1j1u n PRO 37 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 1j1u s SER 38 N -0.54 0.99 0.31 2.55 0.15 -1.26 -4.95 113.70 110.94 1j1u s SER 38 Ca 0.60 -0.15 0.00 0.00 0.70 0.00 0.00 55.95 57.11 1j1u s SER 38 Cb -0.54 -0.24 0.52 0.00 -1.71 0.00 0.00 66.02 64.05 1j1u s SER 38 CO 0.59 0.05 1.94 1.23 1.20 0.00 0.00 173.24 178.25 1j1u h GLY 39 N 6.34 1.22 -5.36 9.45 0.00 -1.93 -3.40 103.07 109.39 1j1u h GLY 39 Ca -0.33 -0.41 -0.67 0.00 0.00 0.00 0.00 47.33 45.92 1j1u h GLY 39 CO 0.49 0.34 -0.79 0.54 0.00 0.00 0.00 176.54 177.12 1j1u s LYS 40 N -5.89 3.06 -0.26 4.80 3.01 -1.26 -5.07 119.74 118.14 1j1u s LYS 40 Ca -0.11 -0.73 -0.16 0.00 -1.01 0.00 0.00 55.97 53.95 1j1u s LYS 40 Cb 0.19 -2.49 -0.03 0.00 -1.01 0.00 0.00 37.83 34.49 1j1u s LYS 40 CO 0.79 0.32 0.42 0.42 0.51 0.00 0.00 175.35 177.82 1j1u s ILE 41 N 0.05 5.14 0.00 2.17 -1.09 -1.26 -5.03 121.20 121.18 1j1u s ILE 41 Ca -0.06 0.69 0.00 0.00 -2.23 0.00 0.00 60.65 59.05 1j1u s ILE 41 Cb -0.15 -3.74 0.00 0.00 -1.58 0.00 0.00 42.46 36.99 1j1u s ILE 41 CO 0.05 0.14 0.00 0.00 -1.23 0.00 0.00 174.94 173.90 1j1u n HIS 42 N 5.31 -0.57 0.24 3.97 1.44 -1.26 -0.74 115.22 123.62 1j1u n HIS 42 Ca -0.07 0.00 0.08 0.00 -2.01 0.00 0.00 57.72 55.72 1j1u n HIS 42 Cb 0.50 0.00 0.60 0.00 0.12 0.00 0.00 29.99 31.21 1j1u n HIS 42 CO 0.00 0.00 0.00 -0.07 -2.81 0.00 0.00 176.34 173.46 1j1u h LEU 43 N 0.00 0.00 -0.59 2.39 3.38 -1.81 -1.17 115.31 117.51 1j1u h LEU 43 Ca 0.00 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.93 1j1u h LEU 43 Cb 0.00 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.72 1j1u h LEU 43 CO 0.00 0.14 0.21 1.23 0.09 0.00 0.00 178.44 180.11 1j1u h GLY 44 N 0.52 0.97 0.95 0.83 0.00 -1.95 0.25 103.07 104.64 1j1u h GLY 44 Ca -0.00 -0.55 -0.03 0.00 0.00 0.00 0.00 47.33 46.75 1j1u h GLY 44 CO 0.02 0.52 0.16 0.45 0.00 0.00 0.00 176.54 177.69 1j1u h HIS 45 N 0.82 0.68 -0.71 5.60 3.86 -1.64 -2.70 115.15 121.06 1j1u h HIS 45 Ca 0.19 -0.06 -0.04 0.00 -1.16 0.00 0.00 60.37 59.30 1j1u h HIS 45 Cb 0.25 -0.20 -0.03 0.00 1.06 0.00 0.00 27.41 28.49 1j1u h HIS 45 CO 0.01 0.60 0.29 -0.92 0.86 0.00 0.00 177.93 178.77 1j1u h TYR 46 N 0.56 1.08 -0.88 2.45 -0.00 -0.70 0.22 116.97 119.71 1j1u h TYR 46 Ca 0.14 -0.08 0.11 0.00 -0.00 0.00 0.00 58.73 58.91 1j1u h TYR 46 Cb 0.22 -0.32 -0.08 0.00 -0.00 0.00 0.00 36.73 36.54 1j1u h TYR 46 CO 0.01 0.84 0.51 1.25 -0.00 0.00 0.00 178.16 180.76 1j1u h LEU 47 N 1.02 0.71 -0.04 2.82 5.85 -0.32 0.95 115.31 126.31 1j1u h LEU 47 Ca 0.24 0.06 -0.25 0.00 0.84 0.00 0.00 57.88 58.77 1j1u h LEU 47 Cb 0.21 -0.08 0.00 0.00 0.37 0.00 0.00 40.66 41.17 1j1u h LEU 47 CO -0.02 0.38 -1.09 1.56 -0.34 0.00 0.00 178.44 178.93 1j1u h GLN 48 N 0.81 0.35 -0.66 1.25 4.20 -1.02 -2.36 115.11 117.70 1j1u h GLN 48 Ca 0.44 -0.47 -0.03 0.00 0.06 0.00 0.00 58.65 58.65 1j1u h GLN 48 Cb 0.46 0.15 -0.03 0.00 0.30 0.00 0.00 27.48 28.37 1j1u h GLN 48 CO -0.28 1.16 0.27 0.82 -0.67 0.00 0.00 178.83 180.14 1j1u h ILE 49 N 0.16 1.23 -0.51 2.54 1.08 -0.08 -0.22 117.51 121.71 1j1u h ILE 49 Ca -0.11 -0.69 -0.01 0.00 -0.39 0.00 0.00 64.86 63.66 1j1u h ILE 49 Cb 1.76 0.43 -0.03 0.00 -3.07 0.00 0.00 36.82 35.92 1j1u h ILE 49 CO 0.18 0.28 0.26 0.11 -0.69 0.00 0.00 178.15 178.29 1j1u h LYS 50 N 0.94 0.70 -0.46 2.37 1.57 -0.64 -1.51 116.57 119.54 1j1u h LYS 50 Ca 0.22 -0.08 -0.11 0.00 -1.87 0.00 0.00 60.65 58.81 1j1u h LYS 50 Cb 0.16 -0.14 -0.02 0.00 0.08 0.00 0.00 32.23 32.32 1j1u h LYS 50 CO -0.02 0.54 -0.16 -0.22 -0.57 0.00 0.00 179.45 179.01 1j1u h LYS 51 N 0.71 0.88 -0.29 3.15 1.63 -0.62 -0.85 116.57 121.18 1j1u h LYS 51 Ca 0.18 -0.34 -0.09 0.00 -0.85 0.00 0.00 60.65 59.55 1j1u h LYS 51 Cb 0.06 -0.05 -0.01 0.00 -0.60 0.00 0.00 32.23 31.62 1j1u h LYS 51 CO -0.03 0.98 -0.21 0.52 -3.45 0.00 0.00 179.45 177.27 1j1u h MET 52 N 0.78 0.54 -0.63 1.90 2.86 -0.34 -1.49 114.93 118.55 1j1u h MET 52 Ca 0.12 -0.19 -0.08 0.00 -2.06 0.00 0.00 59.70 57.49 1j1u h MET 52 Cb 0.69 -0.04 -0.03 0.00 0.06 0.00 0.00 31.60 32.29 1j1u h MET 52 CO 0.05 0.71 0.08 0.82 1.06 0.00 0.00 176.91 179.63 1j1u h ILE 53 N 0.48 1.26 -0.77 -1.22 2.04 -0.89 0.43 117.51 118.84 1j1u h ILE 53 Ca 0.08 -1.05 0.02 0.00 1.00 0.00 0.00 64.86 64.91 1j1u h ILE 53 Cb 0.63 0.69 -0.04 0.00 -0.74 0.00 0.00 36.82 37.36 1j1u h ILE 53 CO 0.04 0.39 0.50 0.44 0.00 0.00 0.00 178.15 179.52 1j1u h ASP 54 N 0.98 0.85 -0.44 1.72 3.32 -0.62 0.57 116.42 122.80 1j1u h ASP 54 Ca 0.19 -0.01 -0.08 0.00 0.02 0.00 0.00 57.03 57.15 1j1u h ASP 54 Cb 0.46 -0.20 -0.02 0.00 0.22 0.00 0.00 39.33 39.79 1j1u h ASP 54 CO 0.02 0.60 -0.02 -0.07 -1.72 0.00 0.00 179.24 178.04 1j1u h LEU 55 N 1.00 0.77 -0.65 1.55 3.38 -1.01 -1.52 115.31 118.84 1j1u h LEU 55 Ca 0.30 -0.32 -0.03 0.00 0.09 0.00 0.00 57.88 57.92 1j1u h LEU 55 Cb -0.05 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 40.46 1j1u h LEU 55 CO -0.09 0.91 0.30 -0.61 0.09 0.00 0.00 178.44 179.04 1j1u h GLN 56 N 0.62 0.94 0.00 1.13 4.15 -0.18 -0.11 115.11 121.66 1j1u h GLN 56 Ca 0.12 -0.15 0.00 0.00 0.77 0.00 0.00 58.65 59.40 1j1u h GLN 56 Cb 0.52 -0.17 0.00 0.00 0.21 0.00 0.00 27.48 28.05 1j1u h GLN 56 CO 0.03 0.76 0.00 -0.91 -1.93 0.00 0.00 178.83 176.77 1j1u h ASN 57 N 0.90 0.00 -0.53 -0.69 2.35 0.66 -0.13 115.58 118.14 1j1u h ASN 57 Ca 0.22 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.97 1j1u h ASN 57 Cb 0.14 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.51 1j1u h ASN 57 CO -0.03 0.00 0.00 0.00 -1.65 0.00 0.00 177.43 175.75 1j1u n ALA 58 N -1.93 3.37 -0.22 -0.83 0.00 -0.14 -4.92 120.51 115.84 1j1u n ALA 58 Ca -0.01 -1.51 0.00 0.00 0.00 0.00 0.00 53.44 51.92 1j1u n ALA 58 Cb 0.10 -1.07 0.00 0.00 0.00 0.00 0.00 19.45 18.48 1j1u n ALA 58 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1j1u n GLY 59 N 0.78 0.63 3.77 0.00 0.00 -0.06 -5.06 105.19 105.24 1j1u n GLY 59 Ca 0.23 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.86 1j1u n GLY 59 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1j1u s PHE 60 N -2.40 3.91 0.18 1.61 0.40 -0.70 -4.48 117.98 116.50 1j1u s PHE 60 Ca 0.00 1.67 -0.30 0.00 -0.60 0.00 0.00 56.93 57.70 1j1u s PHE 60 Cb 0.00 -2.81 -0.08 0.00 0.51 0.00 0.00 43.02 40.64 1j1u s PHE 60 CO 0.00 0.48 0.97 -0.51 0.70 0.00 0.00 175.22 176.86 1j1u s ASP 61 N -1.03 7.54 -0.05 1.36 1.01 -0.16 -4.22 116.67 121.11 1j1u s ASP 61 Ca 0.37 1.91 0.03 0.00 0.71 0.00 0.00 52.55 55.57 1j1u s ASP 61 Cb -0.23 -2.60 -0.03 0.00 1.01 0.00 0.00 42.92 41.07 1j1u s ASP 61 CO 0.27 0.02 -0.13 -0.63 0.21 0.00 0.00 175.17 174.91 1j1u s ILE 62 N -0.59 3.20 -0.06 0.77 -1.09 -1.26 -2.22 121.20 119.94 1j1u s ILE 62 Ca 0.44 -0.69 0.04 0.00 -2.23 0.00 0.00 60.65 58.21 1j1u s ILE 62 Cb -0.25 -2.27 0.00 0.00 -1.58 0.00 0.00 42.46 38.36 1j1u s ILE 62 CO 0.32 0.58 -0.19 -0.63 -1.23 0.00 0.00 174.94 173.79 1j1u s ILE 63 N -0.76 1.58 -0.21 2.92 1.01 -0.75 -1.73 121.20 123.26 1j1u s ILE 63 Ca 0.12 -0.77 -0.03 0.00 0.00 0.00 0.00 60.65 59.97 1j1u s ILE 63 Cb -0.11 -1.37 -0.00 0.00 0.01 0.00 0.00 42.46 40.99 1j1u s ILE 63 CO 0.01 0.45 -0.09 -0.63 0.00 0.00 0.00 174.94 174.69 1j1u s ILE 64 N 0.23 3.03 -0.25 2.92 -1.09 -0.62 -2.55 121.20 122.86 1j1u s ILE 64 Ca -0.10 -0.61 -0.14 0.00 -2.23 0.00 0.00 60.65 57.57 1j1u s ILE 64 Cb -0.14 -2.35 -0.04 0.00 -1.58 0.00 0.00 42.46 38.34 1j1u s ILE 64 CO 0.04 0.46 0.33 -0.22 -1.23 0.00 0.00 174.94 174.31 1j1u s LEU 65 N 1.40 4.07 -0.49 2.97 2.96 0.21 -1.08 118.68 128.74 1j1u s LEU 65 Ca 0.05 0.28 -0.21 0.00 -0.22 0.00 0.00 54.13 54.03 1j1u s LEU 65 Cb -0.14 -2.36 0.04 0.00 0.50 0.00 0.00 46.19 44.23 1j1u s LEU 65 CO -0.06 -0.11 0.68 -0.76 -1.32 0.00 0.00 176.35 174.79 1j1u s LEU 66 N 1.72 4.64 -1.20 -0.68 1.43 0.12 -0.81 118.68 123.89 1j1u s LEU 66 Ca 0.14 -0.59 -0.12 0.00 -1.03 0.00 0.00 54.13 52.53 1j1u s LEU 66 Cb -0.15 -2.62 0.19 0.00 0.03 0.00 0.00 46.19 43.64 1j1u s LEU 66 CO 0.09 -0.90 1.46 0.00 0.23 0.00 0.00 176.35 177.23 1j1u n ALA 67 N 6.41 4.24 -0.06 4.21 0.00 0.61 -1.38 120.51 134.54 1j1u n ALA 67 Ca -0.03 -4.35 -0.13 0.00 0.00 0.00 0.00 53.44 48.93 1j1u n ALA 67 Cb 0.47 -2.92 -0.01 0.00 0.00 0.00 0.00 19.45 17.00 1j1u n ALA 67 CO 0.00 0.00 0.00 0.38 0.00 0.00 0.00 177.50 177.88 1j1u h ASP 68 N 6.74 0.87 0.28 0.00 2.03 -1.92 -1.15 116.42 123.27 1j1u h ASP 68 Ca 0.30 -0.45 -0.16 0.00 -0.73 0.00 0.00 57.03 56.00 1j1u h ASP 68 Cb 0.82 -0.25 -0.01 0.00 -0.83 0.00 0.00 39.33 39.06 1j1u h ASP 68 CO 1.28 1.23 -0.62 -0.07 -1.03 0.00 0.00 179.24 180.03 1j1u h LEU 69 N 0.61 0.37 -0.43 0.15 3.38 -1.93 -0.55 115.31 116.92 1j1u h LEU 69 Ca 0.02 -0.22 -0.03 0.00 0.09 0.00 0.00 57.88 57.75 1j1u h LEU 69 Cb 1.10 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 41.73 1j1u h LEU 69 CO 0.11 0.90 0.17 0.45 0.09 0.00 0.00 178.44 180.15 1j1u h HIS 70 N 0.24 0.66 -0.83 1.13 3.86 -1.92 0.19 115.15 118.48 1j1u h HIS 70 Ca -0.01 -0.05 0.01 0.00 -1.16 0.00 0.00 60.37 59.16 1j1u h HIS 70 Cb 1.14 -0.20 -0.04 0.00 1.06 0.00 0.00 27.41 29.37 1j1u h HIS 70 CO 0.03 0.58 0.54 0.00 0.86 0.00 0.00 177.93 179.94 1j1u h ALA 71 N 1.01 1.05 -0.04 2.45 0.00 -0.96 0.93 119.26 123.69 1j1u h ALA 71 Ca 0.14 -0.06 0.01 0.00 0.00 0.00 0.00 54.91 55.00 1j1u h ALA 71 Cb 0.20 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 1j1u h ALA 71 CO -0.01 0.46 -0.03 -0.92 0.00 0.00 0.00 179.25 178.75 1j1u h TYR 72 N 1.12 -0.07 0.00 0.00 5.03 -0.75 -0.97 116.97 121.33 1j1u h TYR 72 Ca 0.30 0.01 -0.02 0.00 2.58 0.00 0.00 58.73 61.60 1j1u h TYR 72 Cb -0.12 0.04 -0.00 0.00 1.55 0.00 0.00 36.73 38.19 1j1u h TYR 72 CO -0.01 -0.05 -0.09 -0.07 -1.32 0.00 0.00 178.16 176.62 1j1u h LEU 73 N -0.04 0.00 -3.72 2.82 3.38 0.03 -2.39 115.31 115.39 1j1u h LEU 73 Ca 0.03 0.00 -0.44 0.00 0.09 0.00 0.00 57.88 57.56 1j1u h LEU 73 Cb 0.08 0.00 -0.26 0.00 0.09 0.00 0.00 40.66 40.57 1j1u h LEU 73 CO -0.06 0.09 0.56 -3.20 0.09 0.00 0.00 178.44 175.91 1j1u n ASN 74 N -4.11 3.69 -3.66 -0.43 4.05 0.26 -4.59 115.26 110.48 1j1u n ASN 74 Ca -0.03 -3.38 -0.25 0.00 0.45 0.00 0.00 54.58 51.37 1j1u n ASN 74 Cb 0.17 -0.79 0.07 0.00 1.23 0.00 0.00 39.78 40.46 1j1u n ASN 74 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 1j1u n GLN 75 N -0.89 -7.58 0.00 1.20 6.02 -0.90 -4.56 117.38 110.67 1j1u n GLN 75 Ca 0.51 0.79 0.13 0.00 -0.01 0.00 0.00 57.00 58.42 1j1u n GLN 75 Cb 1.51 -5.82 0.27 0.00 1.02 0.00 0.00 30.24 27.22 1j1u n GLN 75 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 1j1u n LYS 76 N -4.96 2.02 0.00 -1.09 4.76 -0.45 -5.03 118.16 113.41 1j1u n LYS 76 Ca 0.02 -1.51 0.00 0.00 -2.87 0.00 0.00 58.31 53.95 1j1u n LYS 76 Cb 0.55 -1.47 0.00 0.00 -1.84 0.00 0.00 35.03 32.28 1j1u n LYS 76 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1j1u n GLY 77 N 1.28 0.70 3.88 0.72 0.00 -1.26 -4.89 105.19 105.62 1j1u n GLY 77 Ca 0.16 -1.96 -0.31 0.00 0.00 0.00 0.00 46.02 43.91 1j1u n GLY 77 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1j1u s GLU 78 N -1.16 3.77 0.30 1.61 0.41 -1.26 -4.71 118.70 117.66 1j1u s GLU 78 Ca 0.00 0.27 0.02 0.00 -0.41 0.00 0.00 54.97 54.84 1j1u s GLU 78 Cb 0.00 -2.59 0.56 0.00 -1.78 0.00 0.00 34.13 30.32 1j1u s GLU 78 CO 0.00 0.22 1.88 -0.07 -0.49 0.00 0.00 175.26 176.80 1j1u h LEU 79 N 2.09 0.90 -0.43 1.80 3.38 -1.97 -1.01 115.31 120.06 1j1u h LEU 79 Ca -0.47 0.02 -0.02 0.00 0.09 0.00 0.00 57.88 57.50 1j1u h LEU 79 Cb 1.18 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 41.74 1j1u h LEU 79 CO 0.67 0.53 0.18 -2.24 0.09 0.00 0.00 178.44 177.67 1j1u h ASP 80 N 0.99 0.59 0.02 -0.43 -0.00 -1.99 0.51 116.42 116.12 1j1u h ASP 80 Ca 0.43 -0.16 -0.11 0.00 -0.00 0.00 0.00 57.03 57.19 1j1u h ASP 80 Cb 0.35 -0.15 -0.01 0.00 -0.00 0.00 0.00 39.33 39.51 1j1u h ASP 80 CO -0.19 0.59 -0.36 1.05 -0.00 0.00 0.00 179.24 180.33 1j1u h GLU 81 N 0.56 0.45 -0.52 4.15 4.11 -1.78 -2.12 114.58 119.43 1j1u h GLU 81 Ca 0.15 -0.21 -0.02 0.00 0.07 0.00 0.00 59.36 59.35 1j1u h GLU 81 Cb 0.18 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.40 1j1u h GLU 81 CO -0.01 0.75 0.23 0.82 0.07 0.00 0.00 179.01 180.87 1j1u h ILE 82 N 0.38 1.20 -0.27 -1.06 2.04 -1.00 -0.53 117.51 118.27 1j1u h ILE 82 Ca 0.04 -0.60 -0.12 0.00 1.00 0.00 0.00 64.86 65.18 1j1u h ILE 82 Cb 0.81 0.64 -0.01 0.00 -0.74 0.00 0.00 36.82 37.51 1j1u h ILE 82 CO 0.07 0.23 -0.34 0.03 0.00 0.00 0.00 178.15 178.14 1j1u h ARG 83 N 0.69 0.59 -0.39 2.37 3.08 -0.69 -0.23 114.38 119.81 1j1u h ARG 83 Ca 0.18 -0.27 -0.00 0.00 0.07 0.00 0.00 59.98 59.95 1j1u h ARG 83 Cb 0.15 -0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.17 1j1u h ARG 83 CO -0.02 0.85 0.23 -0.22 -1.07 0.00 0.00 179.97 179.74 1j1u h LYS 84 N 0.50 0.53 -0.40 0.04 3.64 -1.05 -0.47 116.57 119.36 1j1u h LYS 84 Ca 0.05 -0.05 -0.04 0.00 -1.27 0.00 0.00 60.65 59.34 1j1u h LYS 84 Cb 0.83 -0.11 -0.02 0.00 -0.41 0.00 0.00 32.23 32.52 1j1u h LYS 84 CO 0.07 0.40 0.07 0.82 -2.27 0.00 0.00 179.45 178.54 1j1u h ILE 85 N 0.50 1.19 -0.43 2.00 2.04 -0.83 -2.57 117.51 119.42 1j1u h ILE 85 Ca 0.14 -0.72 0.04 0.00 1.00 0.00 0.00 64.86 65.32 1j1u h ILE 85 Cb 0.02 0.82 -0.04 0.00 -0.74 0.00 0.00 36.82 36.87 1j1u h ILE 85 CO -0.02 0.26 0.18 1.23 0.00 0.00 0.00 178.15 179.79 1j1u h GLY 86 N 0.84 0.57 1.13 5.37 0.00 -0.37 0.09 103.07 110.71 1j1u h GLY 86 Ca 0.13 -0.12 -0.10 0.00 0.00 0.00 0.00 47.33 47.24 1j1u h GLY 86 CO 0.00 0.06 -0.05 -1.80 0.00 0.00 0.00 176.54 174.75 1j1u h ASP 87 N 0.37 1.01 -0.35 0.19 1.82 -0.81 -0.75 116.42 117.90 1j1u h ASP 87 Ca 0.19 -0.31 0.02 0.00 -0.39 0.00 0.00 57.03 56.54 1j1u h ASP 87 Cb 0.15 -0.27 -0.02 0.00 0.68 0.00 0.00 39.33 39.86 1j1u h ASP 87 CO -0.17 1.09 0.20 0.22 -1.61 0.00 0.00 179.24 178.97 1j1u h TYR 88 N 0.93 0.37 -0.45 0.28 3.20 -1.04 -2.44 116.97 117.82 1j1u h TYR 88 Ca 0.16 0.01 0.04 0.00 3.14 0.00 0.00 58.73 62.08 1j1u h TYR 88 Cb 0.61 -0.12 -0.04 0.00 1.54 0.00 0.00 36.73 38.72 1j1u h TYR 88 CO 0.04 0.21 0.22 -0.91 -1.64 0.00 0.00 178.16 176.09 1j1u h ASN 89 N 0.40 0.32 -0.94 -2.11 -0.26 -0.51 -0.00 115.58 112.49 1j1u h ASN 89 Ca 0.14 0.02 0.10 0.00 -0.56 0.00 0.00 56.30 56.00 1j1u h ASN 89 Cb 0.01 -0.04 -0.08 0.00 -1.06 0.00 0.00 38.32 37.16 1j1u h ASN 89 CO -0.07 0.23 0.58 0.50 -1.06 0.00 0.00 177.43 177.61 1j1u h LYS 90 N 0.45 0.94 -0.36 0.81 3.64 -0.78 -0.90 116.57 120.36 1j1u h LYS 90 Ca 0.19 -0.06 -0.09 0.00 -1.27 0.00 0.00 60.65 59.43 1j1u h LYS 90 Cb 0.10 -0.21 -0.02 0.00 -0.41 0.00 0.00 32.23 31.69 1j1u h LYS 90 CO -0.14 0.62 -0.13 0.87 -2.27 0.00 0.00 179.45 178.40 1j1u h LYS 91 N 0.97 0.65 -0.23 1.90 6.56 -0.59 -0.31 116.57 125.52 1j1u h LYS 91 Ca 0.44 -0.21 -0.03 0.00 -1.06 0.00 0.00 60.65 59.79 1j1u h LYS 91 Cb 0.36 -0.06 -0.01 0.00 -0.57 0.00 0.00 32.23 31.95 1j1u h LYS 91 CO -0.23 0.76 0.03 0.28 -2.06 0.00 0.00 179.45 178.22 1j1u h VAL 92 N 0.59 1.24 -0.88 0.50 2.07 -0.06 -0.02 116.25 119.68 1j1u h VAL 92 Ca 0.10 -0.80 -0.02 0.00 0.82 0.00 0.00 66.70 66.80 1j1u h VAL 92 Cb 0.57 1.31 -0.04 0.00 -1.52 0.00 0.00 31.29 31.61 1j1u h VAL 92 CO 0.04 0.25 0.46 -0.26 0.02 0.00 0.00 177.57 178.08 1j1u h PHE 93 N 0.18 1.23 -0.44 1.57 0.05 -1.00 0.38 116.94 118.91 1j1u h PHE 93 Ca 0.07 -0.04 -0.09 0.00 3.82 0.00 0.00 57.97 61.73 1j1u h PHE 93 Cb 0.35 -0.39 -0.02 0.00 2.00 0.00 0.00 35.95 37.89 1j1u h PHE 93 CO 0.02 0.86 -0.11 0.93 -0.18 0.00 0.00 178.31 179.84 1j1u h GLU 94 N 1.24 0.79 0.00 1.51 5.08 -0.77 -2.36 114.58 120.06 1j1u h GLU 94 Ca 0.31 -0.26 -0.04 0.00 -1.00 0.00 0.00 59.36 58.36 1j1u h GLU 94 Cb 0.06 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.23 1j1u h GLU 94 CO -0.05 0.86 -0.21 0.00 -1.00 0.00 0.00 179.01 178.62 1j1u h ALA 95 N 1.17 1.36 0.00 3.43 0.00 0.33 0.18 119.26 125.72 1j1u h ALA 95 Ca 0.12 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.84 1j1u h ALA 95 Cb 0.59 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.35 1j1u h ALA 95 CO 0.04 0.26 0.00 -1.33 0.00 0.00 0.00 179.25 178.22 1j1u n MET 96 N -3.86 0.56 -0.10 0.00 2.81 -0.01 -4.62 117.12 111.91 1j1u n MET 96 Ca -0.02 0.03 0.00 0.00 -1.81 0.00 0.00 57.70 55.90 1j1u n MET 96 Cb 0.30 -1.50 0.00 0.00 -0.71 0.00 0.00 33.22 31.31 1j1u n MET 96 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1j1u n GLY 97 N 0.80 0.94 3.49 3.03 0.00 0.62 -5.03 105.19 109.04 1j1u n GLY 97 Ca 0.15 -0.07 -0.40 0.00 0.00 0.00 0.00 46.02 45.70 1j1u n GLY 97 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1j1u s LEU 98 N 0.00 4.56 -0.21 0.99 2.96 -0.93 -5.03 118.68 121.03 1j1u s LEU 98 Ca 0.00 -0.57 -0.10 0.00 -0.22 0.00 0.00 54.13 53.24 1j1u s LEU 98 Cb 0.00 -2.11 -0.05 0.00 0.50 0.00 0.00 46.19 44.53 1j1u s LEU 98 CO 0.00 -0.28 0.15 -0.75 -1.32 0.00 0.00 176.35 174.15 1j1u s LYS 99 N 1.68 4.17 0.33 1.98 2.20 -1.26 -4.09 119.74 124.75 1j1u s LYS 99 Ca 0.05 -0.21 -0.18 0.00 -0.36 0.00 0.00 55.97 55.28 1j1u s LYS 99 Cb -0.18 -3.44 0.06 0.00 -1.51 0.00 0.00 37.83 32.76 1j1u s LYS 99 CO 0.09 0.25 0.85 0.00 -0.36 0.00 0.00 175.35 176.19 1j1u s ALA 100 N 0.50 -0.99 -0.54 3.13 0.00 -1.26 -4.88 121.76 117.73 1j1u s ALA 100 Ca 0.08 -0.62 -0.29 0.00 0.00 0.00 0.00 51.96 51.14 1j1u s ALA 100 Cb -0.12 0.70 0.03 0.00 0.00 0.00 0.00 23.12 23.73 1j1u s ALA 100 CO -0.00 -1.01 1.17 0.21 0.00 0.00 0.00 175.76 176.12 1j1u s LYS 101 N -2.33 3.60 -0.23 0.00 2.20 -0.71 -4.95 119.74 117.33 1j1u s LYS 101 Ca 0.17 0.38 -0.16 0.00 -0.36 0.00 0.00 55.97 56.00 1j1u s LYS 101 Cb -0.04 -3.97 -0.04 0.00 -1.51 0.00 0.00 37.83 32.27 1j1u s LYS 101 CO 0.10 -1.55 0.41 0.71 -0.36 0.00 0.00 175.35 174.65 1j1u s TYR 102 N 4.73 3.33 -0.04 4.03 1.51 -1.26 -1.59 117.35 128.06 1j1u s TYR 102 Ca 0.45 0.57 0.04 0.00 -1.01 0.00 0.00 57.07 57.12 1j1u s TYR 102 Cb -0.07 -2.56 -0.00 0.00 -0.11 0.00 0.00 41.96 39.21 1j1u s TYR 102 CO 0.28 -0.10 -0.17 0.08 -1.11 0.00 0.00 175.55 174.53 1j1u s VAL 103 N 1.62 1.43 0.02 0.71 1.01 -0.24 -4.98 120.40 119.98 1j1u s VAL 103 Ca 0.18 -0.72 -0.24 0.00 0.00 0.00 0.00 61.98 61.20 1j1u s VAL 103 Cb -0.15 -1.23 -0.05 0.00 0.00 0.00 0.00 36.38 34.95 1j1u s VAL 103 CO 0.09 0.41 0.72 -0.31 0.00 0.00 0.00 175.10 176.01 1j1u s TYR 104 N -0.01 3.70 0.30 5.22 1.51 -1.26 0.12 117.35 126.93 1j1u s TYR 104 Ca -0.03 1.38 0.05 0.00 -1.01 0.00 0.00 57.07 57.46 1j1u s TYR 104 Cb -0.11 -2.78 0.70 0.00 -0.11 0.00 0.00 41.96 39.66 1j1u s TYR 104 CO 0.02 0.26 1.80 0.78 -1.11 0.00 0.00 175.55 177.29 1j1u h GLY 105 N 5.85 1.73 2.00 0.71 0.00 -1.59 -0.04 103.07 111.73 1j1u h GLY 105 Ca -0.44 -0.38 0.00 0.00 0.00 0.00 0.00 47.33 46.52 1j1u h GLY 105 CO 0.71 0.00 0.00 1.48 0.00 0.00 0.00 176.54 178.74 1j1u h SER 106 N 0.82 0.00 0.01 0.19 4.64 -1.93 0.18 113.55 117.47 1j1u h SER 106 Ca 0.55 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.87 1j1u h SER 106 Cb 0.79 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.88 1j1u h SER 106 CO -0.34 0.00 -0.01 -0.33 -0.87 0.00 0.00 176.83 175.28 1j1u h GLU 107 N 0.00 0.00 0.00 4.77 5.08 -1.39 -3.32 114.58 119.72 1j1u h GLU 107 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1j1u h GLU 107 Cb 0.05 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.30 1j1u h GLU 107 CO 0.00 0.01 -0.17 1.97 -1.00 0.00 0.00 179.01 179.81 1j1u n PHE 108 N -4.36 0.00 0.85 4.33 1.16 -0.51 -4.80 117.46 114.14 1j1u n PHE 108 Ca -0.03 0.00 0.08 0.00 -1.87 0.00 0.00 57.45 55.63 1j1u n PHE 108 Cb 0.10 0.00 0.43 0.00 -1.61 0.00 0.00 39.48 38.40 1j1u n PHE 108 CO 0.00 0.00 0.00 1.04 -1.87 0.00 0.00 176.76 175.93 1j1u n GLN 109 N -0.55 0.34 -0.11 3.97 6.02 0.50 -1.89 117.38 125.67 1j1u n GLN 109 Ca 0.00 0.08 0.04 0.00 -0.01 0.00 0.00 57.00 57.11 1j1u n GLN 109 Cb 0.00 -1.50 0.10 0.00 1.02 0.00 0.00 30.24 29.86 1j1u n GLN 109 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 1j1u n LEU 110 N -1.16 2.55 -4.76 1.08 4.77 -1.26 -4.67 117.00 113.55 1j1u n LEU 110 Ca 0.09 -1.90 -0.36 0.00 -0.03 0.00 0.00 56.01 53.81 1j1u n LEU 110 Cb 0.09 -0.15 0.03 0.00 -2.33 0.00 0.00 43.42 41.07 1j1u n LEU 110 CO 0.11 0.63 0.84 -1.81 -1.33 0.00 0.00 177.39 175.83 1j1u s ASP 111 N -0.97 5.26 0.18 -1.43 1.01 -0.79 -4.86 116.67 115.08 1j1u s ASP 111 Ca 0.16 2.39 -0.11 0.00 0.71 0.00 0.00 52.55 55.69 1j1u s ASP 111 Cb 0.08 -2.60 0.10 0.00 1.01 0.00 0.00 42.92 41.51 1j1u s ASP 111 CO 0.11 -1.54 1.77 0.11 0.21 0.00 0.00 175.17 175.83 1j1u h LYS 112 N 0.98 0.94 -0.51 8.23 1.57 -1.95 -0.22 116.57 125.60 1j1u h LYS 112 Ca -0.50 -0.14 -0.12 0.00 -1.87 0.00 0.00 60.65 58.01 1j1u h LYS 112 Cb 1.29 -0.17 -0.02 0.00 0.08 0.00 0.00 32.23 33.42 1j1u h LYS 112 CO 0.55 0.75 -0.16 0.38 -0.57 0.00 0.00 179.45 180.40 1j1u h ASP 113 N 0.90 1.03 0.07 0.86 2.03 -1.95 -1.29 116.42 118.07 1j1u h ASP 113 Ca 0.22 -0.37 -0.00 0.00 -0.73 0.00 0.00 57.03 56.15 1j1u h ASP 113 Cb 0.13 -0.28 -0.00 0.00 -0.83 0.00 0.00 39.33 38.34 1j1u h ASP 113 CO -0.03 1.17 -0.04 0.22 -1.03 0.00 0.00 179.24 179.53 1j1u h TYR 114 N 0.89 -0.11 -0.50 4.15 3.20 -1.70 -1.69 116.97 121.21 1j1u h TYR 114 Ca 0.13 -0.00 0.05 0.00 3.14 0.00 0.00 58.73 62.04 1j1u h TYR 114 Cb 0.74 0.04 -0.04 0.00 1.54 0.00 0.00 36.73 39.00 1j1u h TYR 114 CO 0.05 -0.07 0.25 1.15 -1.64 0.00 0.00 178.16 177.90 1j1u h THR 115 N -0.11 0.95 -0.72 1.81 2.02 -0.97 -0.11 112.91 115.77 1j1u h THR 115 Ca -0.01 -0.16 0.06 0.00 0.77 0.00 0.00 66.41 67.07 1j1u h THR 115 Cb 0.09 0.42 -0.04 0.00 -1.74 0.00 0.00 68.15 66.88 1j1u h THR 115 CO 0.01 0.09 0.47 0.25 0.37 0.00 0.00 175.52 176.71 1j1u h LEU 116 N 0.48 0.68 -0.85 2.58 5.85 -1.10 0.12 115.31 123.07 1j1u h LEU 116 Ca 0.22 0.00 -0.03 0.00 0.84 0.00 0.00 57.88 58.91 1j1u h LEU 116 Cb 0.14 -0.15 -0.00 0.00 0.37 0.00 0.00 40.66 41.02 1j1u h LEU 116 CO -0.16 0.45 -0.14 -1.13 -0.34 0.00 0.00 178.44 177.11 1j1u h ASN 117 N 0.78 0.00 -0.43 1.25 -1.24 -0.10 -1.45 115.58 114.39 1j1u h ASN 117 Ca 0.31 0.00 -0.05 0.00 0.71 0.00 0.00 56.30 57.27 1j1u h ASN 117 Cb 0.21 0.00 -0.02 0.00 0.73 0.00 0.00 38.32 39.25 1j1u h ASN 117 CO -0.10 0.14 0.08 0.58 -1.29 0.00 0.00 177.43 176.85 1j1u h VAL 118 N 0.00 1.24 -0.92 2.57 2.07 0.24 -1.38 116.25 120.06 1j1u h VAL 118 Ca -0.00 -0.85 -0.01 0.00 0.82 0.00 0.00 66.70 66.65 1j1u h VAL 118 Cb 0.81 0.97 -0.04 0.00 -1.52 0.00 0.00 31.29 31.51 1j1u h VAL 118 CO 0.02 0.30 0.53 1.88 0.02 0.00 0.00 177.57 180.32 1j1u h TYR 119 N 0.56 1.24 -0.49 1.57 0.99 -0.91 0.50 116.97 120.44 1j1u h TYR 119 Ca 0.13 -0.02 -0.03 0.00 2.00 0.00 0.00 58.73 60.81 1j1u h TYR 119 Cb 0.35 -0.40 -0.02 0.00 1.00 0.00 0.00 36.73 37.66 1j1u h TYR 119 CO 0.02 0.84 0.18 0.00 -0.00 0.00 0.00 178.16 179.20 1j1u h ARG 120 N 1.28 0.74 -0.15 4.88 3.08 -0.98 -2.32 114.38 120.90 1j1u h ARG 120 Ca 0.33 -0.14 -0.10 0.00 0.07 0.00 0.00 59.98 60.14 1j1u h ARG 120 Cb -0.01 -0.11 -0.01 0.00 0.08 0.00 0.00 29.97 29.91 1j1u h ARG 120 CO -0.06 0.67 -0.33 -0.07 -1.07 0.00 0.00 179.97 179.11 1j1u h LEU 121 N 0.65 0.31 -1.18 3.04 3.38 -0.75 -2.92 115.31 117.84 1j1u h LEU 121 Ca 0.16 -0.11 -0.03 0.00 0.09 0.00 0.00 57.88 57.99 1j1u h LEU 121 Cb 0.22 -0.08 -0.03 0.00 0.09 0.00 0.00 40.66 40.86 1j1u h LEU 121 CO -0.01 0.62 0.26 0.00 0.09 0.00 0.00 178.44 179.40 1j1u h ALA 122 N 1.40 1.36 0.00 1.53 0.00 0.42 -1.10 119.26 122.86 1j1u h ALA 122 Ca 0.03 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.80 1j1u h ALA 122 Cb 0.71 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 18.27 1j1u h ALA 122 CO 0.05 0.49 -0.03 1.25 0.00 0.00 0.00 179.25 181.02 1j1u h LEU 123 N 0.83 0.00 -0.55 0.00 5.85 -1.23 -3.15 115.31 117.06 1j1u h LEU 123 Ca 0.20 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.92 1j1u h LEU 123 Cb 0.12 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.15 1j1u h LEU 123 CO -0.02 0.03 -0.70 0.29 -0.34 0.00 0.00 178.44 177.69 1j1u n LYS 124 N -4.50 0.67 -4.12 1.25 5.02 -0.50 -4.92 118.16 111.06 1j1u n LYS 124 Ca -0.03 -0.55 -0.34 0.00 -2.02 0.00 0.00 58.31 55.36 1j1u n LYS 124 Cb 0.11 -1.49 -0.11 0.00 -0.02 0.00 0.00 35.03 33.52 1j1u n LYS 124 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 1j1u s THR 125 N -2.71 4.34 0.51 -0.18 2.01 -0.69 -5.09 115.64 113.83 1j1u s THR 125 Ca 0.14 -0.19 -0.16 0.00 0.31 0.00 0.00 61.69 61.79 1j1u s THR 125 Cb 0.17 -2.95 -0.08 0.00 0.01 0.00 0.00 72.50 69.65 1j1u s THR 125 CO 0.70 0.45 0.97 0.42 -0.69 0.00 0.00 174.62 176.48 1j1u s THR 126 N 0.58 4.56 0.21 -0.82 -4.23 -1.26 -4.90 115.64 109.76 1j1u s THR 126 Ca 0.01 1.17 -0.10 0.00 -1.18 0.00 0.00 61.69 61.58 1j1u s THR 126 Cb -0.14 -3.72 0.15 0.00 1.34 0.00 0.00 72.50 70.13 1j1u s THR 126 CO 0.02 -0.68 1.87 -0.07 -0.54 0.00 0.00 174.62 175.22 1j1u h LEU 127 N 0.92 0.87 -1.18 4.79 3.38 -1.98 -0.59 115.31 121.52 1j1u h LEU 127 Ca -0.47 -0.03 -0.01 0.00 0.09 0.00 0.00 57.88 57.47 1j1u h LEU 127 Cb 1.18 -0.22 -0.04 0.00 0.09 0.00 0.00 40.66 41.68 1j1u h LEU 127 CO 0.62 0.64 0.44 0.11 0.09 0.00 0.00 178.44 180.33 1j1u h LYS 128 N 1.01 1.00 -0.24 1.13 1.57 -1.99 0.40 116.57 119.45 1j1u h LYS 128 Ca 0.27 -0.09 -0.15 0.00 -1.87 0.00 0.00 60.65 58.81 1j1u h LYS 128 Cb -0.10 -0.21 0.00 0.00 0.08 0.00 0.00 32.23 32.00 1j1u h LYS 128 CO -0.06 0.71 -0.44 -0.09 -0.57 0.00 0.00 179.45 179.00 1j1u h ARG 129 N 1.02 0.72 -0.31 3.15 9.65 -1.82 0.94 114.38 127.74 1j1u h ARG 129 Ca 0.27 -0.45 -0.01 0.00 -1.10 0.00 0.00 59.98 58.68 1j1u h ARG 129 Cb -0.03 0.05 -0.01 0.00 -1.39 0.00 0.00 29.97 28.59 1j1u h ARG 129 CO -0.05 1.08 0.14 0.00 2.80 0.00 0.00 179.97 183.94 1j1u h ALA 130 N 0.64 0.39 -0.50 2.80 0.00 -0.83 -0.01 119.26 121.75 1j1u h ALA 130 Ca 0.01 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.83 1j1u h ALA 130 Cb 1.04 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.69 1j1u h ALA 130 CO 0.10 -0.04 0.32 0.00 0.00 0.00 0.00 179.25 179.63 1j1u h ARG 131 N 0.36 0.66 -0.81 0.00 3.08 -0.78 -2.21 114.38 114.68 1j1u h ARG 131 Ca 0.10 -0.05 0.08 0.00 0.07 0.00 0.00 59.98 60.19 1j1u h ARG 131 Cb 0.12 -0.15 -0.06 0.00 0.08 0.00 0.00 29.97 29.97 1j1u h ARG 131 CO -0.01 0.45 0.53 -0.09 -1.07 0.00 0.00 179.97 179.78 1j1u h ARG 132 N 0.67 0.79 0.00 0.04 2.43 -0.57 -1.87 114.38 115.87 1j1u h ARG 132 Ca 0.18 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.30 1j1u h ARG 132 Cb -0.06 -0.18 0.00 0.00 -0.42 0.00 0.00 29.97 29.31 1j1u h ARG 132 CO -0.04 0.52 0.00 0.66 -1.51 0.00 0.00 179.97 179.60 1j1u h SER 133 N 0.81 0.00 -0.37 -3.80 4.64 -0.37 -3.01 113.55 111.45 1j1u h SER 133 Ca 0.37 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.69 1j1u h SER 133 Cb 0.36 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.45 1j1u h SER 133 CO -0.14 0.00 0.00 0.23 -0.87 0.00 0.00 176.83 176.05 1j1u n MET 134 N -2.74 2.33 -0.35 4.77 2.81 -0.71 -4.44 117.12 118.79 1j1u n MET 134 Ca 0.02 -2.01 0.13 0.00 -1.81 0.00 0.00 57.70 54.02 1j1u n MET 134 Cb 0.31 -1.48 0.32 0.00 -0.71 0.00 0.00 33.22 31.66 1j1u n MET 134 CO 0.00 0.00 0.00 0.93 1.51 0.00 0.00 175.97 178.41 1j1u h GLU 135 N 3.87 0.75 -0.52 0.03 5.08 -1.47 0.14 114.58 122.47 1j1u h GLU 135 Ca 0.00 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.31 1j1u h GLU 135 Cb 0.86 -0.17 0.00 0.00 0.50 0.00 0.00 28.75 29.94 1j1u h GLU 135 CO 0.00 0.50 0.00 1.28 -1.00 0.00 0.00 179.01 179.79 1j1u n LEU 136 N -4.74 3.85 0.00 1.33 4.77 -1.26 -4.55 117.00 116.40 1j1u n LEU 136 Ca 0.23 -2.27 0.00 0.00 -0.03 0.00 0.00 56.01 53.94 1j1u n LEU 136 Cb 0.55 -0.44 0.00 0.00 -2.33 0.00 0.00 43.42 41.21 1j1u n LEU 136 CO 0.22 0.81 -0.41 -0.38 -1.33 0.00 0.00 177.39 176.31 1j1u n ILE 137 N 0.83 0.00 -1.67 -0.08 5.41 -0.06 -4.97 119.36 118.83 1j1u n ILE 137 Ca 0.20 0.00 -0.46 0.00 1.00 0.00 0.00 62.75 63.49 1j1u n ILE 137 Cb 0.67 -0.64 -0.04 0.00 -0.71 0.00 0.00 39.64 38.93 1j1u n ILE 137 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1j1u n ALA 138 N -2.46 1.27 -1.76 -1.39 0.00 0.28 -4.93 120.51 111.51 1j1u n ALA 138 Ca 0.00 0.45 -0.41 0.00 0.00 0.00 0.00 53.44 53.47 1j1u n ALA 138 Cb 0.41 -2.34 -0.00 0.00 0.00 0.00 0.00 19.45 17.52 1j1u n ALA 138 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 1j1u n ARG 139 N 3.25 2.59 -1.73 0.00 3.00 -1.26 -4.87 116.66 117.63 1j1u n ARG 139 Ca 0.16 0.91 -0.42 0.00 -0.00 0.00 0.00 57.85 58.50 1j1u n ARG 139 Cb 0.29 -2.62 -0.01 0.00 0.00 0.00 0.00 32.46 30.12 1j1u n ARG 139 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.63 178.02 1j1u n GLU 140 N 0.55 2.48 -3.65 -0.14 1.02 -1.26 -4.97 120.64 114.67 1j1u n GLU 140 Ca 0.02 0.88 -0.04 0.00 -0.02 0.00 0.00 57.16 58.01 1j1u n GLU 140 Cb 0.38 -2.60 -0.05 0.00 -0.02 0.00 0.00 31.44 29.15 1j1u n GLU 140 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 1j1u s ASP 141 N 0.27 -1.06 0.24 1.62 3.68 -1.26 -5.03 116.67 115.12 1j1u s ASP 141 Ca 0.62 1.55 0.25 0.00 2.13 0.00 0.00 52.55 57.10 1j1u s ASP 141 Cb -0.54 1.92 0.92 0.00 -1.45 0.00 0.00 42.92 43.77 1j1u s ASP 141 CO 0.53 -0.23 1.74 -1.84 0.13 0.00 0.00 175.17 175.50 1j1u n GLU 142 N 4.97 0.22 -3.72 4.34 0.28 -1.26 -3.80 120.64 121.67 1j1u n GLU 142 Ca -0.15 0.34 -0.29 0.00 -0.16 0.00 0.00 57.16 56.90 1j1u n GLU 142 Cb 0.53 -1.85 -0.12 0.00 1.43 0.00 0.00 31.44 31.43 1j1u n GLU 142 CO 0.00 0.00 0.00 -0.80 -0.16 0.00 0.00 177.13 176.17 1j1u s ASN 143 N -4.37 3.59 0.18 -1.84 0.01 -1.26 -5.08 114.94 106.17 1j1u s ASN 143 Ca 0.07 -3.11 -0.33 0.00 -0.71 0.00 0.00 52.86 48.78 1j1u s ASN 143 Cb 0.11 -1.13 -0.15 0.00 0.41 0.00 0.00 41.25 40.48 1j1u s ASN 143 CO 0.48 -0.19 1.21 -2.65 -1.51 0.00 0.00 177.10 174.44 1j1u n PRO 144 N 2.90 1.30 -3.29 -0.60 -0.02 -1.25 -4.95 135.00 129.09 1j1u n PRO 144 Ca 0.16 0.46 -0.28 0.00 -2.02 0.00 0.00 63.50 61.83 1j1u n PRO 144 Cb 0.37 -2.00 -0.02 0.00 -0.02 0.00 0.00 33.50 31.83 1j1u n PRO 144 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 1j1u s LYS 145 N -0.31 3.59 0.43 -0.52 -0.14 -1.26 -4.99 119.74 116.54 1j1u s LYS 145 Ca 0.73 -0.05 0.16 0.00 -1.36 0.00 0.00 55.97 55.46 1j1u s LYS 145 Cb -0.83 -2.63 1.06 0.00 -1.68 0.00 0.00 37.83 33.76 1j1u s LYS 145 CO 0.51 0.17 1.91 0.28 -0.76 0.00 0.00 175.35 177.46 1j1u h VAL 146 N 1.14 0.77 -0.45 3.17 2.07 -2.00 -1.39 116.25 119.56 1j1u h VAL 146 Ca -0.48 -0.14 0.12 0.00 0.82 0.00 0.00 66.70 67.02 1j1u h VAL 146 Cb 1.20 0.33 -0.02 0.00 -1.52 0.00 0.00 31.29 31.27 1j1u h VAL 146 CO 0.65 0.07 0.32 0.00 0.02 0.00 0.00 177.57 178.63 1j1u h ALA 147 N 1.64 2.34 -0.10 1.67 0.00 -1.94 -1.24 119.26 121.63 1j1u h ALA 147 Ca 0.39 -0.01 -0.09 0.00 0.00 0.00 0.00 54.91 55.19 1j1u h ALA 147 Cb 0.92 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.71 1j1u h ALA 147 CO -0.13 -0.47 -0.36 1.49 0.00 0.00 0.00 179.25 179.79 1j1u h GLU 148 N 0.06 0.21 0.00 0.00 4.81 -1.50 -2.03 114.58 116.13 1j1u h GLU 148 Ca 0.21 -0.09 0.00 0.00 -0.13 0.00 0.00 59.36 59.36 1j1u h GLU 148 Cb 0.77 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 30.14 1j1u h GLU 148 CO -0.02 0.55 -0.73 -0.39 -0.73 0.00 0.00 179.01 177.69 1j1u h VAL 149 N 0.18 0.00 0.13 0.32 -1.51 -1.37 -3.34 116.25 110.66 1j1u h VAL 149 Ca 0.02 -0.59 -0.29 0.00 -1.23 0.00 0.00 66.70 64.61 1j1u h VAL 149 Cb 0.73 1.13 0.02 0.00 -2.13 0.00 0.00 31.29 31.04 1j1u h VAL 149 CO 0.05 0.00 -1.25 0.40 -1.23 0.00 0.00 177.57 175.55 1j1u h ILE 150 N 0.00 1.34 -0.34 7.19 2.04 -1.28 -3.36 117.51 123.11 1j1u h ILE 150 Ca 0.00 -2.62 0.07 0.00 1.00 0.00 0.00 64.86 63.31 1j1u h ILE 150 Cb 0.79 2.77 -0.08 0.00 -0.74 0.00 0.00 36.82 39.56 1j1u h ILE 150 CO 0.00 0.79 -0.29 0.22 0.00 0.00 0.00 178.15 178.87 1j1u h TYR 151 N 0.21 -0.78 -0.16 1.37 3.20 -1.49 -1.64 116.97 117.68 1j1u h TYR 151 Ca -0.17 0.05 -0.07 0.00 3.14 0.00 0.00 58.73 61.67 1j1u h TYR 151 Cb 1.93 0.39 -0.01 0.00 1.54 0.00 0.00 36.73 40.58 1j1u h TYR 151 CO 0.10 -0.36 -0.21 -1.00 -1.64 0.00 0.00 178.16 175.05 1j1u h PRO 152 N -0.25 0.27 0.00 1.82 0.13 -1.74 -2.03 132.00 130.20 1j1u h PRO 152 Ca 0.16 -0.08 -0.11 0.00 -0.87 0.00 0.00 66.00 65.10 1j1u h PRO 152 Cb 0.51 -0.03 -0.02 0.00 0.13 0.00 0.00 31.00 31.60 1j1u h PRO 152 CO -0.48 0.48 -0.51 -0.84 -0.23 0.00 0.00 178.00 176.42 1j1u h ILE 153 N 0.25 1.21 -0.35 -3.56 3.07 -1.50 -0.19 117.51 116.44 1j1u h ILE 153 Ca 0.04 -1.85 -0.14 0.00 1.55 0.00 0.00 64.86 64.46 1j1u h ILE 153 Cb 0.52 2.04 -0.01 0.00 -0.27 0.00 0.00 36.82 39.11 1j1u h ILE 153 CO 0.04 0.50 -0.35 0.24 -1.05 0.00 0.00 178.15 177.53 1j1u h MET 154 N 0.00 0.81 -0.44 0.16 2.86 -0.96 0.11 114.93 117.46 1j1u h MET 154 Ca -0.01 -0.40 -0.03 0.00 -2.06 0.00 0.00 59.70 57.21 1j1u h MET 154 Cb 1.00 -0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.64 1j1u h MET 154 CO 0.07 1.03 0.16 0.37 1.06 0.00 0.00 176.91 179.60 1j1u h GLN 155 N 0.67 0.67 -0.61 1.72 4.15 -1.07 0.82 115.11 121.47 1j1u h GLN 155 Ca 0.07 -0.13 0.05 0.00 0.77 0.00 0.00 58.65 59.40 1j1u h GLN 155 Cb 0.90 -0.10 -0.05 0.00 0.21 0.00 0.00 27.48 28.44 1j1u h GLN 155 CO 0.08 0.63 0.33 0.28 -1.93 0.00 0.00 178.83 178.22 1j1u h VAL 156 N 0.57 0.98 -0.20 2.39 2.07 -0.91 -2.26 116.25 118.88 1j1u h VAL 156 Ca 0.14 -0.22 -0.02 0.00 0.82 0.00 0.00 66.70 67.43 1j1u h VAL 156 Cb 0.22 0.29 -0.01 0.00 -1.52 0.00 0.00 31.29 30.27 1j1u h VAL 156 CO -0.01 0.12 0.05 -1.13 0.02 0.00 0.00 177.57 176.62 1j1u h ASN 157 N 0.63 0.25 -0.31 0.57 -1.24 -0.40 -2.41 115.58 112.68 1j1u h ASN 157 Ca 0.27 -0.02 -0.04 0.00 0.71 0.00 0.00 56.30 57.21 1j1u h ASN 157 Cb 0.15 -0.06 -0.01 0.00 0.73 0.00 0.00 38.32 39.12 1j1u h ASN 157 CO -0.16 0.27 0.02 0.44 -1.29 0.00 0.00 177.43 176.71 1j1u h ASP 158 N 0.28 0.52 -0.52 1.15 3.32 -0.26 0.22 116.42 121.14 1j1u h ASP 158 Ca 0.07 -0.29 0.08 0.00 0.02 0.00 0.00 57.03 56.91 1j1u h ASP 158 Cb 0.12 -0.14 -0.06 0.00 0.22 0.00 0.00 39.33 39.46 1j1u h ASP 158 CO -0.00 0.68 0.16 0.40 -1.72 0.00 0.00 179.24 178.75 1j1u h ILE 159 N 0.35 0.77 -0.08 0.35 2.04 -1.18 -0.42 117.51 119.34 1j1u h ILE 159 Ca 0.09 -0.11 -0.01 0.00 1.00 0.00 0.00 64.86 65.83 1j1u h ILE 159 Cb 0.40 0.43 -0.00 0.00 -0.74 0.00 0.00 36.82 36.91 1j1u h ILE 159 CO 0.01 0.06 0.01 -0.74 0.00 0.00 0.00 178.15 177.49 1j1u h HIS 160 N 0.32 0.15 -0.36 1.37 2.76 -1.22 -2.90 115.15 115.26 1j1u h HIS 160 Ca 0.26 -0.02 -0.10 0.00 -2.20 0.00 0.00 60.37 58.31 1j1u h HIS 160 Cb 0.31 -0.04 -0.02 0.00 1.55 0.00 0.00 27.41 29.22 1j1u h HIS 160 CO -0.19 0.37 -0.17 -0.92 -1.30 0.00 0.00 177.93 175.72 1j1u h TYR 161 N -0.12 0.74 0.00 5.26 3.20 -0.26 -2.75 116.97 123.03 1j1u h TYR 161 Ca 0.02 -0.14 0.00 0.00 3.14 0.00 0.00 58.73 61.75 1j1u h TYR 161 Cb 0.31 -0.19 0.00 0.00 1.54 0.00 0.00 36.73 38.39 1j1u h TYR 161 CO 0.02 0.80 0.00 -0.07 -1.64 0.00 0.00 178.16 177.27 1j1u h LEU 162 N 0.60 0.00 1.33 2.82 3.38 -1.12 -3.47 115.31 118.85 1j1u h LEU 162 Ca 0.10 0.00 -0.26 0.00 0.09 0.00 0.00 57.88 57.81 1j1u h LEU 162 Cb 0.62 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.32 1j1u h LEU 162 CO 0.04 0.00 -0.29 0.61 0.09 0.00 0.00 178.44 178.89 1j1u n GLY 163 N 0.87 0.48 3.79 0.83 0.00 -1.04 -4.98 105.19 105.14 1j1u n GLY 163 Ca 0.04 -0.38 -0.34 0.00 0.00 0.00 0.00 46.02 45.35 1j1u n GLY 163 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1j1u s VAL 164 N -2.58 3.50 -0.07 1.61 -7.23 -1.24 -4.92 120.40 109.47 1j1u s VAL 164 Ca 0.00 0.80 0.13 0.00 -1.81 0.00 0.00 61.98 61.10 1j1u s VAL 164 Cb 0.00 -3.30 -0.08 0.00 0.56 0.00 0.00 36.38 33.56 1j1u s VAL 164 CO 0.00 -0.33 1.20 0.44 -0.31 0.00 0.00 175.10 176.10 1j1u h ASP 165 N 0.75 0.00 -3.88 4.85 5.19 -1.72 -3.47 116.42 118.14 1j1u h ASP 165 Ca -0.48 0.00 -0.37 0.00 -0.62 0.00 0.00 57.03 55.56 1j1u h ASP 165 Cb 1.24 0.00 -0.29 0.00 0.18 0.00 0.00 39.33 40.45 1j1u h ASP 165 CO 0.57 0.69 -0.77 -0.69 -3.12 0.00 0.00 179.24 175.92 1j1u s VAL 166 N -2.85 0.56 -0.10 -1.35 1.01 -0.82 -1.24 120.40 115.60 1j1u s VAL 166 Ca 0.01 -0.27 0.03 0.00 0.00 0.00 0.00 61.98 61.75 1j1u s VAL 166 Cb 0.08 -0.49 -0.01 0.00 0.00 0.00 0.00 36.38 35.97 1j1u s VAL 166 CO 0.79 0.17 -0.20 0.00 0.00 0.00 0.00 175.10 175.86 1j1u s ALA 167 N 0.02 2.34 0.02 5.51 0.00 0.32 -1.71 121.76 128.26 1j1u s ALA 167 Ca 0.00 -0.95 0.06 0.00 0.00 0.00 0.00 51.96 51.07 1j1u s ALA 167 Cb -0.05 -0.94 -0.03 0.00 0.00 0.00 0.00 23.12 22.10 1j1u s ALA 167 CO -0.00 0.30 -0.16 0.08 0.00 0.00 0.00 175.76 175.97 1j1u s VAL 168 N 0.26 2.93 0.09 0.00 1.01 -0.35 -1.02 120.40 123.33 1j1u s VAL 168 Ca -0.14 -1.04 -0.25 0.00 0.00 0.00 0.00 61.98 60.54 1j1u s VAL 168 Cb -0.17 -2.22 0.09 0.00 0.00 0.00 0.00 36.38 34.08 1j1u s VAL 168 CO 0.07 0.40 1.14 -0.83 0.00 0.00 0.00 175.10 175.88 1j1u s GLY 169 N -1.28 -0.03 0.92 4.51 0.00 -0.67 -4.52 107.32 106.25 1j1u s GLY 169 Ca 0.14 -0.09 -0.14 0.00 0.00 0.00 0.00 44.72 44.63 1j1u s GLY 169 CO 0.05 3.23 1.20 -0.32 0.00 0.00 0.00 173.10 177.26 1j1u s GLY 170 N -3.49 1.64 0.23 0.20 0.00 -1.26 -1.05 107.32 103.59 1j1u s GLY 170 Ca 0.23 -0.80 0.21 0.00 0.00 0.00 0.00 44.72 44.37 1j1u s GLY 170 CO 0.02 -0.17 1.63 1.03 0.00 0.00 0.00 173.10 175.62 1j1u n MET 171 N -3.73 0.15 0.25 2.90 0.00 -0.76 -1.38 117.12 114.56 1j1u n MET 171 Ca 0.10 0.45 0.11 0.00 0.00 0.00 0.00 57.70 58.36 1j1u n MET 171 Cb 0.60 -1.83 0.66 0.00 0.00 0.00 0.00 33.22 32.65 1j1u n MET 171 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 175.97 176.90 1j1u h GLU 172 N 0.00 0.00 -0.00 0.03 3.07 -1.91 -1.93 114.58 113.84 1j1u h GLU 172 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 1j1u h GLU 172 Cb 0.25 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.16 1j1u h GLU 172 CO 0.00 0.15 -0.08 1.04 -1.40 0.00 0.00 179.01 178.72 1j1u n GLN 173 N -3.73 0.57 -0.12 2.33 1.13 -0.48 -4.45 117.38 112.63 1j1u n GLN 173 Ca -0.02 -0.15 -0.05 0.00 -1.94 0.00 0.00 57.00 54.85 1j1u n GLN 173 Cb 0.26 -1.50 0.03 0.00 0.11 0.00 0.00 30.24 29.15 1j1u n GLN 173 CO 0.00 0.00 0.00 -0.09 -1.44 0.00 0.00 177.06 175.53 1j1u h ARG 174 N 0.35 0.16 -0.59 -1.09 2.43 -1.46 -1.22 114.38 112.96 1j1u h ARG 174 Ca 0.00 -0.01 0.01 0.00 -0.81 0.00 0.00 59.98 59.17 1j1u h ARG 174 Cb 0.34 -0.04 -0.03 0.00 -0.42 0.00 0.00 29.97 29.83 1j1u h ARG 174 CO 0.00 0.10 0.39 0.87 -1.51 0.00 0.00 179.97 179.82 1j1u h LYS 175 N 0.16 0.76 -0.20 0.20 1.57 -1.82 0.41 116.57 117.65 1j1u h LYS 175 Ca 0.19 -0.05 -0.15 0.00 -1.87 0.00 0.00 60.65 58.77 1j1u h LYS 175 Cb 0.25 -0.17 -0.01 0.00 0.08 0.00 0.00 32.23 32.39 1j1u h LYS 175 CO -0.29 0.51 -0.52 0.82 -0.57 0.00 0.00 179.45 179.40 1j1u h ILE 176 N 0.79 1.32 -0.11 1.86 2.04 -1.59 -1.25 117.51 120.56 1j1u h ILE 176 Ca 0.22 -1.75 -0.13 0.00 1.00 0.00 0.00 64.86 64.20 1j1u h ILE 176 Cb -0.08 1.72 -0.01 0.00 -0.74 0.00 0.00 36.82 37.71 1j1u h ILE 176 CO -0.05 0.54 -0.49 0.45 0.00 0.00 0.00 178.15 178.60 1j1u h HIS 177 N 0.44 0.35 -0.25 1.37 3.86 -0.09 -0.57 115.15 120.27 1j1u h HIS 177 Ca 0.02 -0.11 -0.11 0.00 -1.16 0.00 0.00 60.37 59.01 1j1u h HIS 177 Cb 1.05 -0.07 -0.01 0.00 1.06 0.00 0.00 27.41 29.44 1j1u h HIS 177 CO 0.04 0.73 -0.30 0.52 0.86 0.00 0.00 177.93 179.77 1j1u h MET 178 N 0.23 0.51 -0.55 2.45 2.86 -0.79 -0.11 114.93 119.52 1j1u h MET 178 Ca 0.01 -0.21 -0.11 0.00 -2.06 0.00 0.00 59.70 57.33 1j1u h MET 178 Cb 0.95 -0.02 -0.02 0.00 0.06 0.00 0.00 31.60 32.58 1j1u h MET 178 CO 0.08 0.76 -0.08 1.25 1.06 0.00 0.00 176.91 179.98 1j1u h LEU 179 N 0.44 1.02 -0.98 1.22 6.46 -0.85 -1.22 115.31 121.40 1j1u h LEU 179 Ca 0.06 -0.34 -0.03 0.00 -0.12 0.00 0.00 57.88 57.45 1j1u h LEU 179 Cb 0.75 -0.28 -0.04 0.00 -0.73 0.00 0.00 40.66 40.37 1j1u h LEU 179 CO 0.06 1.12 0.37 0.00 -0.62 0.00 0.00 178.44 179.37 1j1u h ALA 180 N 0.94 1.20 -0.09 1.25 0.00 -0.33 0.93 119.26 123.15 1j1u h ALA 180 Ca 0.15 -0.15 -0.09 0.00 0.00 0.00 0.00 54.91 54.82 1j1u h ALA 180 Cb 0.64 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 1j1u h ALA 180 CO 0.04 0.61 -0.33 0.00 0.00 0.00 0.00 179.25 179.57 1j1u h ARG 181 N 1.10 0.17 -0.12 0.00 3.08 -0.63 -1.69 114.38 116.28 1j1u h ARG 181 Ca 0.27 -0.07 -0.23 0.00 0.07 0.00 0.00 59.98 60.02 1j1u h ARG 181 Cb 0.10 -0.01 0.01 0.00 0.08 0.00 0.00 29.97 30.16 1j1u h ARG 181 CO -0.03 0.49 -0.84 1.49 -1.07 0.00 0.00 179.97 180.01 1j1u h GLU 182 N 0.15 0.78 0.00 0.04 4.81 -0.39 -3.38 114.58 116.59 1j1u h GLU 182 Ca 0.02 -0.68 -0.14 0.00 -0.13 0.00 0.00 59.36 58.43 1j1u h GLU 182 Cb 0.67 0.15 -0.02 0.00 0.63 0.00 0.00 28.75 30.18 1j1u h GLU 182 CO 0.05 1.27 -1.07 -0.07 -0.73 0.00 0.00 179.01 178.47 1j1u h LEU 183 N 0.52 0.00-10.14 1.64 3.38 -0.60 -3.47 115.31 106.63 1j1u h LEU 183 Ca -0.07 0.00 -0.51 0.00 0.09 0.00 0.00 57.88 57.39 1j1u h LEU 183 Cb 1.47 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.21 1j1u h LEU 183 CO 0.17 0.54 -0.26 -0.76 0.09 0.00 0.00 178.44 178.22 1j1u s LEU 184 N -6.03 4.14 0.24 1.67 1.43 -0.66 -4.99 118.68 114.48 1j1u s LEU 184 Ca -0.00 0.44 -0.02 0.00 -1.03 0.00 0.00 54.13 53.52 1j1u s LEU 184 Cb 0.08 -3.25 0.28 0.00 0.03 0.00 0.00 46.19 43.33 1j1u s LEU 184 CO 0.79 -0.15 1.69 -0.65 0.23 0.00 0.00 176.35 178.25 1j1u h PRO 185 N 1.47 0.72 -5.08 1.29 0.11 -1.91 -3.40 132.00 125.19 1j1u h PRO 185 Ca -0.49 -0.26 -0.63 0.00 0.11 0.00 0.00 66.00 64.73 1j1u h PRO 185 Cb 1.20 -0.05 -0.19 0.00 0.11 0.00 0.00 31.00 32.07 1j1u h PRO 185 CO 0.65 0.84 -0.59 0.21 -0.21 0.00 0.00 178.00 178.90 1j1u s LYS 186 N -4.70 3.82 -0.42 1.05 2.20 -1.26 -5.06 119.74 115.38 1j1u s LYS 186 Ca -0.09 -0.41 -0.28 0.00 -0.36 0.00 0.00 55.97 54.84 1j1u s LYS 186 Cb 0.14 -3.31 0.02 0.00 -1.51 0.00 0.00 37.83 33.17 1j1u s LYS 186 CO 0.82 0.01 1.05 0.15 -0.36 0.00 0.00 175.35 177.02 1j1u s LYS 187 N 1.10 3.80 0.52 4.03 1.02 -1.26 -4.92 119.74 124.03 1j1u s LYS 187 Ca 0.05 0.63 -0.20 0.00 0.02 0.00 0.00 55.97 56.47 1j1u s LYS 187 Cb -0.14 -3.85 -0.07 0.00 -0.52 0.00 0.00 37.83 33.25 1j1u s LYS 187 CO 0.03 -1.16 1.07 0.14 -0.92 0.00 0.00 175.35 174.52 1j1u s VAL 188 N 3.96 3.55 -0.04 3.17 -7.23 -1.26 -5.00 120.40 117.55 1j1u s VAL 188 Ca 0.44 0.95 -0.27 0.00 -1.81 0.00 0.00 61.98 61.29 1j1u s VAL 188 Cb -0.10 -3.38 -0.03 0.00 0.56 0.00 0.00 36.38 33.43 1j1u s VAL 188 CO 0.24 -0.23 0.85 -0.69 -0.31 0.00 0.00 175.10 174.97 1j1u s VAL 189 N -1.94 4.94 -0.20 1.32 1.01 -0.37 -4.81 120.40 120.35 1j1u s VAL 189 Ca 0.69 1.77 -0.05 0.00 0.00 0.00 0.00 61.98 64.39 1j1u s VAL 189 Cb -0.19 -4.19 -0.03 0.00 0.00 0.00 0.00 36.38 31.97 1j1u s VAL 189 CO 0.24 0.18 0.00 0.00 0.00 0.00 0.00 175.10 175.53 1j1u s ILE 191 N 0.92 3.22 -0.08 0.00 1.01 -0.19 -0.30 121.20 125.78 1j1u s ILE 191 Ca 0.01 -0.54 0.00 0.00 0.00 0.00 0.00 60.65 60.12 1j1u s ILE 191 Cb -0.14 -2.45 -0.03 0.00 0.01 0.00 0.00 42.46 39.84 1j1u s ILE 191 CO 0.02 0.44 -0.06 -1.00 0.00 0.00 0.00 174.94 174.34 1j1u s HIS 192 N 1.42 2.96 0.16 3.97 3.76 -0.11 -1.67 115.29 125.78 1j1u s HIS 192 Ca 0.05 -0.02 0.05 0.00 -0.15 0.00 0.00 55.06 55.00 1j1u s HIS 192 Cb -0.14 -1.75 -0.04 0.00 1.11 0.00 0.00 32.58 31.76 1j1u s HIS 192 CO -0.04 0.29 0.11 -0.80 -0.85 0.00 0.00 174.74 173.44 1j1u s ASN 193 N -0.65 5.37 0.53 1.40 0.01 -0.21 0.14 114.94 121.53 1j1u s ASN 193 Ca 0.10 -0.18 -0.20 0.00 -0.71 0.00 0.00 52.86 51.87 1j1u s ASN 193 Cb -0.11 -1.36 -0.06 0.00 0.41 0.00 0.00 41.25 40.12 1j1u s ASN 193 CO 0.02 0.08 1.13 -2.16 -1.51 0.00 0.00 177.10 174.66 1j1u s PRO 194 N -3.04 3.44 -0.23 -0.60 0.04 -1.26 -1.82 135.00 131.52 1j1u s PRO 194 Ca 0.30 1.63 -0.22 0.00 0.04 0.00 0.00 61.00 62.75 1j1u s PRO 194 Cb -0.10 -2.07 -0.02 0.00 0.04 0.00 0.00 34.50 32.35 1j1u s PRO 194 CO 0.22 -0.78 0.69 0.08 0.04 0.00 0.00 177.00 177.25 1j1u s VAL 195 N -1.74 4.95 0.45 -0.36 1.01 -1.26 -4.81 120.40 118.63 1j1u s VAL 195 Ca 0.71 1.29 -0.23 0.00 0.00 0.00 0.00 61.98 63.75 1j1u s VAL 195 Cb -0.24 -4.00 -0.08 0.00 0.00 0.00 0.00 36.38 32.06 1j1u s VAL 195 CO 0.28 0.02 1.10 -0.76 0.00 0.00 0.00 175.10 175.73 1j1u s LEU 196 N 2.45 4.01 0.42 3.92 1.43 -1.26 -5.01 118.68 124.64 1j1u s LEU 196 Ca 0.30 2.13 -0.22 0.00 -1.03 0.00 0.00 54.13 55.31 1j1u s LEU 196 Cb -0.16 -4.30 -0.10 0.00 0.03 0.00 0.00 46.19 41.66 1j1u s LEU 196 CO 0.09 -0.76 0.97 -0.89 0.23 0.00 0.00 176.35 175.98 1j1u s THR 197 N -1.68 4.26 0.93 5.49 2.01 -1.26 -5.04 115.64 120.34 1j1u s THR 197 Ca 0.63 1.48 -0.12 0.00 0.31 0.00 0.00 61.69 63.99 1j1u s THR 197 Cb -0.24 -3.64 0.15 0.00 0.01 0.00 0.00 72.50 68.78 1j1u s THR 197 CO 0.29 -0.23 1.11 -0.83 -0.69 0.00 0.00 174.62 174.27 1j1u s GLY 198 N -2.05 1.58 0.57 4.40 0.00 0.56 -4.79 107.32 107.59 1j1u s GLY 198 Ca 0.61 -0.36 0.30 0.00 0.00 0.00 0.00 44.72 45.27 1j1u s GLY 198 CO 0.16 0.20 2.18 1.41 0.00 0.00 0.00 173.10 177.05 1j1u h LEU 199 N -1.62 0.00 -1.17 0.66 3.38 -1.22 0.24 115.31 115.58 1j1u h LEU 199 Ca -0.52 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.45 1j1u h LEU 199 Cb 1.32 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.07 1j1u h LEU 199 CO 0.59 0.05 0.00 -0.90 0.09 0.00 0.00 178.44 178.27 1j1u n ASP 200 N -3.68 1.78 0.00 -0.43 3.85 -1.26 -0.63 116.55 116.18 1j1u n ASP 200 Ca -0.02 -1.67 0.00 0.00 -0.71 0.00 0.00 54.79 52.39 1j1u n ASP 200 Cb 0.15 -0.07 0.00 0.00 -1.35 0.00 0.00 41.12 39.85 1j1u n ASP 200 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1j1u n GLY 201 N 1.18 0.76 0.90 6.12 0.00 0.07 -4.67 105.19 109.55 1j1u n GLY 201 Ca 0.17 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.17 1j1u n GLY 201 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1j1u n GLU 202 N -2.15 0.08 -0.09 1.61 4.71 -1.26 -4.86 120.64 118.67 1j1u n GLU 202 Ca 0.00 0.03 0.00 0.00 -0.01 0.00 0.00 57.16 57.18 1j1u n GLU 202 Cb 0.00 -0.64 0.00 0.00 -1.01 0.00 0.00 31.44 29.79 1j1u n GLU 202 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1j1u n GLY 210 N 3.04 0.00 0.15 0.62 0.00 -1.26 -0.33 105.19 107.42 1j1u n GLY 210 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.98 1j1u n GLY 210 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1j1u n ASN 211 N 0.73 0.08 -4.00 1.61 4.05 -1.26 -4.73 115.26 111.74 1j1u n ASN 211 Ca 0.00 -0.52 -0.10 0.00 0.45 0.00 0.00 54.58 54.41 1j1u n ASN 211 Cb 0.00 -0.04 -0.07 0.00 1.23 0.00 0.00 39.78 40.90 1j1u n ASN 211 CO 0.00 0.00 0.00 0.72 -3.05 0.00 0.00 177.26 174.93 1j1u s PHE 212 N -1.69 0.50 -0.21 1.20 -0.12 -1.26 -0.69 117.98 115.71 1j1u s PHE 212 Ca 0.00 -0.85 -0.07 0.00 -0.05 0.00 0.00 56.93 55.96 1j1u s PHE 212 Cb 0.00 -0.10 -0.03 0.00 -0.63 0.00 0.00 43.02 42.26 1j1u s PHE 212 CO 0.00 -0.74 0.05 0.42 -0.05 0.00 0.00 175.22 174.90 1j1u s ILE 213 N -4.00 4.41 0.16 -4.49 1.01 -1.26 -5.00 121.20 112.02 1j1u s ILE 213 Ca 0.21 -0.15 -0.16 0.00 0.00 0.00 0.00 60.65 60.54 1j1u s ILE 213 Cb 0.03 -3.02 -0.07 0.00 0.01 0.00 0.00 42.46 39.41 1j1u s ILE 213 CO 0.03 0.40 0.60 0.00 0.00 0.00 0.00 174.94 175.96 1j1u s ALA 214 N 1.04 3.54 -0.40 9.38 0.00 -1.26 -2.23 121.76 131.83 1j1u s ALA 214 Ca 0.04 -0.03 0.22 0.00 0.00 0.00 0.00 51.96 52.18 1j1u s ALA 214 Cb -0.14 -2.61 1.02 0.00 0.00 0.00 0.00 23.12 21.38 1j1u s ALA 214 CO 0.03 0.42 1.66 1.33 0.00 0.00 0.00 175.76 179.19 1j1u n VAL 215 N 0.90 0.96 -1.39 0.00 0.24 0.09 -0.96 118.33 118.15 1j1u n VAL 215 Ca -0.05 0.45 0.08 0.00 -2.04 0.00 0.00 64.34 62.77 1j1u n VAL 215 Cb 0.51 -1.41 0.18 0.00 -1.47 0.00 0.00 33.84 31.66 1j1u n VAL 215 CO 0.00 0.00 0.00 -0.90 -2.14 0.00 0.00 176.83 173.79 1j1u n ASP 216 N -2.20 1.96 -4.75 -1.34 5.68 -1.26 -4.44 116.55 110.20 1j1u n ASP 216 Ca 0.01 -3.56 -0.34 0.00 -0.50 0.00 0.00 54.79 50.39 1j1u n ASP 216 Cb 0.14 -0.49 0.07 0.00 -1.14 0.00 0.00 41.12 39.70 1j1u n ASP 216 CO 0.00 0.00 0.00 -1.81 -1.33 0.00 0.00 177.20 174.06 1j1u s ASP 217 N -3.08 4.70 0.60 -1.12 -0.00 -0.14 -5.01 116.67 112.63 1j1u s ASP 217 Ca 0.35 2.22 -0.13 0.00 -0.00 0.00 0.00 52.55 54.99 1j1u s ASP 217 Cb 0.33 -2.58 -0.04 0.00 -0.00 0.00 0.00 42.92 40.64 1j1u s ASP 217 CO -0.03 -1.91 1.03 -0.94 -0.00 0.00 0.00 175.17 173.31 1j1u s SER 218 N -2.18 6.13 0.28 0.27 1.04 -1.26 -4.81 113.70 113.16 1j1u s SER 218 Ca 0.72 1.54 0.01 0.00 0.48 0.00 0.00 55.95 58.70 1j1u s SER 218 Cb -0.26 -2.49 0.62 0.00 0.10 0.00 0.00 66.02 64.00 1j1u s SER 218 CO 0.42 -0.93 1.73 -0.65 0.98 0.00 0.00 173.24 174.79 1j1u h PRO 219 N 0.03 0.51 -0.53 4.02 0.11 -1.97 1.00 132.00 135.17 1j1u h PRO 219 Ca -0.45 -0.03 -0.06 0.00 0.11 0.00 0.00 66.00 65.57 1j1u h PRO 219 Cb 1.20 -0.11 -0.02 0.00 0.11 0.00 0.00 31.00 32.17 1j1u h PRO 219 CO 0.60 0.34 0.07 0.93 -0.21 0.00 0.00 178.00 179.73 1j1u h GLU 220 N 0.52 0.84 -0.24 1.05 3.07 -2.00 -1.21 114.58 116.62 1j1u h GLU 220 Ca 0.51 -0.20 -0.20 0.00 -0.50 0.00 0.00 59.36 58.97 1j1u h GLU 220 Cb 0.84 -0.11 0.00 0.00 -0.84 0.00 0.00 28.75 28.64 1j1u h GLU 220 CO -0.44 0.80 -0.63 0.93 -1.40 0.00 0.00 179.01 178.27 1j1u h GLU 221 N 0.80 0.85 -0.05 2.33 5.08 0.47 -2.51 114.58 121.55 1j1u h GLU 221 Ca 0.17 -0.59 0.03 0.00 -1.00 0.00 0.00 59.36 57.96 1j1u h GLU 221 Cb 0.38 0.09 -0.03 0.00 0.50 0.00 0.00 28.75 29.69 1j1u h GLU 221 CO 0.01 1.22 -0.11 0.82 -1.00 0.00 0.00 179.01 179.95 1j1u h ILE 222 N 0.63 0.71 -0.73 3.13 2.04 -0.16 -0.60 117.51 122.53 1j1u h ILE 222 Ca -0.01 0.00 0.06 0.00 1.00 0.00 0.00 64.86 65.91 1j1u h ILE 222 Cb 1.25 0.71 -0.06 0.00 -0.74 0.00 0.00 36.82 37.98 1j1u h ILE 222 CO 0.14 0.00 0.42 0.03 0.00 0.00 0.00 178.15 178.74 1j1u h ARG 223 N -0.16 0.74 -0.16 2.37 3.08 -1.24 0.24 114.38 119.26 1j1u h ARG 223 Ca 0.06 -0.04 -0.12 0.00 0.07 0.00 0.00 59.98 59.95 1j1u h ARG 223 Cb 0.24 -0.17 -0.01 0.00 0.08 0.00 0.00 29.97 30.11 1j1u h ARG 223 CO -0.15 0.49 -0.41 0.00 -1.07 0.00 0.00 179.97 178.83 1j1u h ALA 224 N 1.37 1.00 -0.25 0.04 0.00 -1.26 0.81 119.26 120.97 1j1u h ALA 224 Ca 0.33 -0.43 -0.17 0.00 0.00 0.00 0.00 54.91 54.64 1j1u h ALA 224 Cb 0.20 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 17.89 1j1u h ALA 224 CO -0.19 0.62 -0.54 0.87 0.00 0.00 0.00 179.25 180.01 1j1u h LYS 225 N 0.30 0.74 -0.43 0.00 1.57 0.53 -2.54 116.57 116.74 1j1u h LYS 225 Ca 0.03 -0.46 -0.13 0.00 -1.87 0.00 0.00 60.65 58.22 1j1u h LYS 225 Cb 0.86 0.05 -0.01 0.00 0.08 0.00 0.00 32.23 33.21 1j1u h LYS 225 CO 0.07 1.09 -0.22 0.82 -0.57 0.00 0.00 179.45 180.63 1j1u h ILE 226 N 0.57 1.27 -0.46 1.86 1.08 -0.41 -1.61 117.51 119.81 1j1u h ILE 226 Ca 0.01 -1.38 -0.04 0.00 -0.39 0.00 0.00 64.86 63.07 1j1u h ILE 226 Cb 1.12 1.23 -0.02 0.00 -3.07 0.00 0.00 36.82 36.08 1j1u h ILE 226 CO 0.11 0.47 0.13 0.50 -0.69 0.00 0.00 178.15 178.67 1j1u h LYS 227 N 0.74 0.67 0.00 2.37 3.64 -0.76 -1.71 116.57 121.52 1j1u h LYS 227 Ca 0.09 -0.11 0.00 0.00 -1.27 0.00 0.00 60.65 59.36 1j1u h LYS 227 Cb 0.79 -0.11 0.00 0.00 -0.41 0.00 0.00 32.23 32.50 1j1u h LYS 227 CO 0.07 0.60 -0.22 -0.22 -2.27 0.00 0.00 179.45 177.40 1j1u h LYS 228 N 0.66 0.00 -6.94 1.90 3.64 -1.33 -3.47 116.57 111.03 1j1u h LYS 228 Ca 0.15 0.00 -0.56 0.00 -1.27 0.00 0.00 60.65 58.98 1j1u h LYS 228 Cb 0.21 0.00 0.13 0.00 -0.41 0.00 0.00 32.23 32.17 1j1u h LYS 228 CO -0.01 0.00 0.55 0.00 -2.27 0.00 0.00 179.45 177.73 1j1u n ALA 229 N -2.08 1.50 -1.93 5.00 0.00 -0.62 -4.94 120.51 117.44 1j1u n ALA 229 Ca 0.03 0.19 -0.41 0.00 0.00 0.00 0.00 53.44 53.25 1j1u n ALA 229 Cb 0.52 -2.32 -0.03 0.00 0.00 0.00 0.00 19.45 17.63 1j1u n ALA 229 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 177.50 177.03 1j1u s TYR 230 N -1.25 3.10 -0.48 0.00 5.04 0.20 -4.96 117.35 118.99 1j1u s TYR 230 Ca 0.66 1.05 0.04 0.00 -2.44 0.00 0.00 57.07 56.38 1j1u s TYR 230 Cb -0.45 -3.76 0.20 0.00 0.35 0.00 0.00 41.96 38.29 1j1u s TYR 230 CO 0.54 -2.49 0.82 0.00 -1.34 0.00 0.00 175.55 173.07 1j1u s PRO 232 N 0.88 4.46 0.20 0.00 0.04 -1.26 -4.87 135.00 134.45 1j1u s PRO 232 Ca 0.29 1.84 -0.33 0.00 0.04 0.00 0.00 61.00 62.84 1j1u s PRO 232 Cb 0.04 -3.28 -0.13 0.00 0.04 0.00 0.00 34.50 31.16 1j1u s PRO 232 CO -0.07 -0.16 1.52 0.00 0.04 0.00 0.00 177.00 178.33 1j1u n ALA 233 N 3.11 1.39 -0.28 8.56 0.00 -1.26 -1.84 120.51 130.19 1j1u n ALA 233 Ca 0.06 0.43 0.00 0.00 0.00 0.00 0.00 53.44 53.93 1j1u n ALA 233 Cb 0.45 -2.33 0.00 0.00 0.00 0.00 0.00 19.45 17.57 1j1u n ALA 233 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1j1u n GLY 234 N 2.88 2.04 3.51 0.00 0.00 -1.21 -4.98 105.19 107.42 1j1u n GLY 234 Ca 0.14 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.82 1j1u n GLY 234 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1j1u s VAL 235 N -2.95 4.06 -0.17 1.61 1.01 -0.77 -4.50 120.40 118.69 1j1u s VAL 235 Ca 0.00 -0.29 0.03 0.00 0.00 0.00 0.00 61.98 61.72 1j1u s VAL 235 Cb 0.00 -2.80 -0.13 0.00 0.00 0.00 0.00 36.38 33.45 1j1u s VAL 235 CO 0.00 0.47 -0.13 0.52 0.00 0.00 0.00 175.10 175.96 1j1u n VAL 236 N 3.73 1.03 -2.15 2.92 0.31 -1.26 -4.59 118.33 118.33 1j1u n VAL 236 Ca -0.17 -0.43 -0.42 0.00 -0.01 0.00 0.00 64.34 63.31 1j1u n VAL 236 Cb 0.52 -1.06 -0.03 0.00 -0.91 0.00 0.00 33.84 32.36 1j1u n VAL 236 CO 0.00 0.00 0.00 -1.83 -1.32 0.00 0.00 176.83 173.68 1j1u s GLU 237 N -2.36 4.32 0.00 5.55 1.03 -1.26 -1.17 118.70 124.81 1j1u s GLU 237 Ca -0.22 2.12 0.00 0.00 0.03 0.00 0.00 54.97 56.90 1j1u s GLU 237 Cb 0.06 -3.21 0.00 0.00 -0.80 0.00 0.00 34.13 30.18 1j1u s GLU 237 CO 0.44 -0.41 0.00 0.41 -1.33 0.00 0.00 175.26 174.38 1j1u n GLY 238 N 3.13 0.51 3.41 -3.83 0.00 -1.26 -4.97 105.19 102.18 1j1u n GLY 238 Ca 0.10 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.68 1j1u n GLY 238 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1j1u s ASN 239 N -2.31 6.20 0.47 1.61 3.84 -0.32 -4.74 114.94 119.70 1j1u s ASN 239 Ca 0.00 -1.15 0.14 0.00 0.21 0.00 0.00 52.86 52.06 1j1u s ASN 239 Cb 0.00 -2.31 1.12 0.00 -0.55 0.00 0.00 41.25 39.50 1j1u s ASN 239 CO 0.00 -1.07 2.08 1.55 -2.79 0.00 0.00 177.10 176.87 1j1u h PRO 240 N 9.16 0.23 -0.32 0.43 0.13 -1.82 -1.28 132.00 138.53 1j1u h PRO 240 Ca -0.29 -0.01 -0.13 0.00 -0.87 0.00 0.00 66.00 64.70 1j1u h PRO 240 Cb 1.09 -0.05 -0.00 0.00 0.13 0.00 0.00 31.00 32.16 1j1u h PRO 240 CO 1.06 0.15 -0.32 0.82 -0.23 0.00 0.00 178.00 179.48 1j1u h ILE 241 N 0.24 1.29 -0.44 -3.56 1.08 -1.93 -1.76 117.51 112.43 1j1u h ILE 241 Ca 0.11 -1.49 -0.07 0.00 -0.39 0.00 0.00 64.86 63.02 1j1u h ILE 241 Cb 0.16 1.51 -0.02 0.00 -3.07 0.00 0.00 36.82 35.41 1j1u h ILE 241 CO -0.02 0.49 -0.02 0.24 -0.69 0.00 0.00 178.15 178.14 1j1u h MET 242 N 0.56 0.73 -0.96 2.37 2.86 -1.78 -1.13 114.93 117.57 1j1u h MET 242 Ca 0.05 -0.20 0.01 0.00 -2.06 0.00 0.00 59.70 57.51 1j1u h MET 242 Cb 0.90 -0.08 -0.05 0.00 0.06 0.00 0.00 31.60 32.43 1j1u h MET 242 CO 0.08 0.76 0.64 0.93 1.06 0.00 0.00 176.91 180.37 1j1u h GLU 243 N 0.68 1.27 -0.59 1.72 5.08 -1.04 -0.09 114.58 121.61 1j1u h GLU 243 Ca 0.13 -0.08 -0.07 0.00 -1.00 0.00 0.00 59.36 58.34 1j1u h GLU 243 Cb 0.45 -0.29 -0.02 0.00 0.50 0.00 0.00 28.75 29.39 1j1u h GLU 243 CO 0.02 0.84 0.07 0.82 -1.00 0.00 0.00 179.01 179.76 1j1u h ILE 244 N 1.30 1.25 -0.44 3.13 2.04 -0.94 0.17 117.51 124.03 1j1u h ILE 244 Ca 0.35 -1.00 -0.05 0.00 1.00 0.00 0.00 64.86 65.16 1j1u h ILE 244 Cb -0.15 0.72 -0.02 0.00 -0.74 0.00 0.00 36.82 36.64 1j1u h ILE 244 CO -0.08 0.37 0.07 0.00 0.00 0.00 0.00 178.15 178.51 1j1u h ALA 245 N 1.17 1.29 -0.06 1.87 0.00 -0.37 -1.30 119.26 121.86 1j1u h ALA 245 Ca 0.18 -0.20 -0.19 0.00 0.00 0.00 0.00 54.91 54.70 1j1u h ALA 245 Cb 0.43 -0.18 0.01 0.00 0.00 0.00 0.00 17.79 18.05 1j1u h ALA 245 CO 0.01 0.49 -0.70 -0.22 0.00 0.00 0.00 179.25 178.84 1j1u h LYS 246 N 0.66 0.58 0.00 0.00 3.64 -0.27 -3.26 116.57 117.92 1j1u h LYS 246 Ca 0.14 -0.54 0.00 0.00 -1.27 0.00 0.00 60.65 58.98 1j1u h LYS 246 Cb 0.31 0.14 0.00 0.00 -0.41 0.00 0.00 32.23 32.27 1j1u h LYS 246 CO 0.00 1.16 -1.20 0.66 -2.27 0.00 0.00 179.45 177.81 1j1u n TYR 247 N -4.09 0.38 0.00 1.91 0.53 0.54 -4.64 117.16 111.79 1j1u n TYR 247 Ca -0.09 0.11 0.00 0.00 -1.02 0.00 0.00 57.90 56.90 1j1u n TYR 247 Cb 0.71 -0.57 0.00 0.00 -1.03 0.00 0.00 39.34 38.45 1j1u n TYR 247 CO 0.00 0.00 0.00 1.19 -1.02 0.00 0.00 176.86 177.03 1j1u n PHE 248 N -2.18 0.00 -2.01 -0.72 3.01 -0.51 -5.02 117.46 110.03 1j1u n PHE 248 Ca 0.00 0.00 -0.32 0.00 1.01 0.00 0.00 57.45 58.15 1j1u n PHE 248 Cb 0.49 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.96 1j1u n PHE 248 CO 0.00 0.00 0.00 -0.51 1.01 0.00 0.00 176.76 177.26 1j1u s LEU 249 N -3.80 3.38 0.06 4.37 1.02 -1.20 -5.07 118.68 117.44 1j1u s LEU 249 Ca 0.00 1.57 0.02 0.00 0.02 0.00 0.00 54.13 55.74 1j1u s LEU 249 Cb 0.00 -4.50 -0.04 0.00 0.02 0.00 0.00 46.19 41.67 1j1u s LEU 249 CO 0.00 -0.93 0.08 -0.70 0.02 0.00 0.00 176.35 174.82 1j1u s GLU 250 N -4.62 2.95 0.17 1.70 2.12 -1.26 -4.95 118.70 114.80 1j1u s GLU 250 Ca 0.58 -0.63 0.09 0.00 0.36 0.00 0.00 54.97 55.37 1j1u s GLU 250 Cb -0.12 -2.77 -0.04 0.00 0.26 0.00 0.00 34.13 31.46 1j1u s GLU 250 CO 0.44 0.59 -0.18 0.71 -0.54 0.00 0.00 175.26 176.28 1j1u s TYR 251 N -1.34 1.84 0.61 5.30 1.51 -1.26 -4.18 117.35 119.84 1j1u s TYR 251 Ca 0.28 -0.47 -0.19 0.00 -1.01 0.00 0.00 57.07 55.68 1j1u s TYR 251 Cb -0.12 -0.92 -0.03 0.00 -0.11 0.00 0.00 41.96 40.78 1j1u s TYR 251 CO 0.20 0.34 1.26 -2.30 -1.11 0.00 0.00 175.55 173.94 1j1u n PRO 252 N 0.27 1.25 -4.89 -1.71 -0.02 -1.26 -5.00 135.00 123.65 1j1u n PRO 252 Ca -0.13 0.48 -0.27 0.00 -2.02 0.00 0.00 63.50 61.56 1j1u n PRO 252 Cb 0.57 -2.48 -0.16 0.00 -0.02 0.00 0.00 33.50 31.41 1j1u n PRO 252 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 1j1u s LEU 253 N -3.65 1.92 -0.31 2.45 2.96 -0.03 -4.96 118.68 117.05 1j1u s LEU 253 Ca 0.78 -0.38 -0.11 0.00 -0.22 0.00 0.00 54.13 54.20 1j1u s LEU 253 Cb -0.40 -1.03 -0.02 0.00 0.50 0.00 0.00 46.19 45.24 1j1u s LEU 253 CO 0.44 0.15 0.19 -0.89 -1.32 0.00 0.00 176.35 174.93 1j1u s THR 254 N 0.08 5.03 -0.34 3.68 2.01 -1.26 0.05 115.64 124.90 1j1u s THR 254 Ca -0.05 -0.20 -0.12 0.00 0.31 0.00 0.00 61.69 61.62 1j1u s THR 254 Cb -0.12 -3.53 -0.02 0.00 0.01 0.00 0.00 72.50 68.84 1j1u s THR 254 CO 0.03 0.08 0.23 -0.63 -0.69 0.00 0.00 174.62 173.64 1j1u s ILE 255 N 1.69 5.21 0.20 1.82 1.01 0.16 -4.96 121.20 126.34 1j1u s ILE 255 Ca 0.06 -0.23 -0.30 0.00 0.00 0.00 0.00 60.65 60.18 1j1u s ILE 255 Cb -0.17 -3.67 -0.08 0.00 0.01 0.00 0.00 42.46 38.55 1j1u s ILE 255 CO 0.09 0.00 1.13 -0.54 0.00 0.00 0.00 174.94 175.63 1j1u s LYS 256 N 1.71 4.57 -0.02 2.79 1.02 -1.26 -1.68 119.74 126.87 1j1u s LYS 256 Ca 0.06 1.79 -0.21 0.00 0.02 0.00 0.00 55.97 57.63 1j1u s LYS 256 Cb -0.17 -3.25 0.04 0.00 -0.52 0.00 0.00 37.83 33.93 1j1u s LYS 256 CO 0.10 0.05 0.45 1.03 -0.92 0.00 0.00 175.35 176.05 1j1u s ARG 257 N -0.55 0.83 0.46 1.68 0.52 -1.26 -4.88 118.95 115.75 1j1u s ARG 257 Ca 0.49 -0.06 -0.25 0.00 -0.52 0.00 0.00 55.73 55.40 1j1u s ARG 257 Cb -0.31 0.38 -0.08 0.00 0.52 0.00 0.00 34.95 35.46 1j1u s ARG 257 CO 0.37 -0.25 1.38 -2.14 0.02 0.00 0.00 175.30 174.68 1j1u s PRO 258 N -1.43 3.66 0.30 3.54 0.02 -1.26 -3.42 135.00 136.41 1j1u s PRO 258 Ca -0.12 2.31 0.06 0.00 0.02 0.00 0.00 61.00 63.27 1j1u s PRO 258 Cb -0.03 -2.60 0.78 0.00 0.02 0.00 0.00 34.50 32.67 1j1u s PRO 258 CO 0.05 -0.80 1.73 0.93 -0.33 0.00 0.00 177.00 178.59 1j1u h GLU 259 N 2.25 0.55 -0.72 5.54 4.39 -1.90 0.41 114.58 125.10 1j1u h GLU 259 Ca -0.51 -0.03 0.20 0.00 0.34 0.00 0.00 59.36 59.36 1j1u h GLU 259 Cb 1.27 -0.12 -0.03 0.00 -0.10 0.00 0.00 28.75 29.76 1j1u h GLU 259 CO 0.61 0.36 0.51 -0.22 -1.16 0.00 0.00 179.01 179.11 1j1u h LYS 260 N 0.57 0.06 -0.38 2.33 3.64 -1.98 0.14 116.57 120.94 1j1u h LYS 260 Ca 0.59 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.97 1j1u h LYS 260 Cb 1.07 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.88 1j1u h LYS 260 CO -0.46 0.04 0.00 1.19 -2.27 0.00 0.00 179.45 177.94 1j1u n PHE 261 N -4.35 1.05 0.00 1.91 0.99 0.13 -4.90 117.46 112.28 1j1u n PHE 261 Ca 0.14 -0.73 0.00 0.00 -0.00 0.00 0.00 57.45 56.86 1j1u n PHE 261 Cb 0.75 -0.26 0.00 0.00 -1.00 0.00 0.00 39.48 38.97 1j1u n PHE 261 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 1j1u n GLY 262 N 0.11 1.91 2.98 1.37 0.00 0.46 -4.93 105.19 107.09 1j1u n GLY 262 Ca 0.21 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.26 1j1u n GLY 262 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1j1u n GLY 263 N 0.00 -1.99 3.74 -0.02 0.00 -0.47 -4.88 105.19 101.57 1j1u n GLY 263 Ca 0.00 -1.37 -0.34 0.00 0.00 0.00 0.00 46.02 44.31 1j1u n GLY 263 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1j1u s ASP 264 N -3.79 4.72 0.04 1.61 1.01 -1.22 -4.26 116.67 114.78 1j1u s ASP 264 Ca 0.00 2.27 -0.08 0.00 0.71 0.00 0.00 52.55 55.46 1j1u s ASP 264 Cb 0.00 -2.58 -0.00 0.00 1.01 0.00 0.00 42.92 41.34 1j1u s ASP 264 CO 0.00 -1.90 0.15 -1.48 0.21 0.00 0.00 175.17 172.15 1j1u s LEU 265 N -4.76 1.56 -0.11 1.23 2.34 -0.67 -4.95 118.68 113.32 1j1u s LEU 265 Ca 0.73 -0.45 0.01 0.00 0.06 0.00 0.00 54.13 54.49 1j1u s LEU 265 Cb -0.27 0.80 -0.02 0.00 -0.56 0.00 0.00 46.19 46.14 1j1u s LEU 265 CO 0.41 -0.54 -0.15 -0.89 -1.06 0.00 0.00 176.35 174.12 1j1u s THR 266 N -2.60 2.94 -0.07 5.48 2.01 -1.26 0.39 115.64 122.52 1j1u s THR 266 Ca -0.05 -0.71 0.03 0.00 0.31 0.00 0.00 61.69 61.27 1j1u s THR 266 Cb -0.01 -2.21 -0.02 0.00 0.01 0.00 0.00 72.50 70.27 1j1u s THR 266 CO -0.04 0.54 -0.17 0.68 -0.69 0.00 0.00 174.62 174.94 1j1u s VAL 267 N 0.13 2.77 -0.81 3.82 -7.23 0.11 -4.95 120.40 114.23 1j1u s VAL 267 Ca -0.07 -0.81 0.26 0.00 -1.81 0.00 0.00 61.98 59.55 1j1u s VAL 267 Cb -0.15 -2.09 0.13 0.00 0.56 0.00 0.00 36.38 34.84 1j1u s VAL 267 CO 0.05 0.57 1.57 0.59 -0.31 0.00 0.00 175.10 177.57 1j1u n ASN 268 N 2.80 0.54 -3.87 4.85 3.02 -1.26 -0.85 115.26 120.49 1j1u n ASN 268 Ca -0.17 0.22 -0.09 0.00 -0.03 0.00 0.00 54.58 54.51 1j1u n ASN 268 Cb 0.52 -0.18 -0.04 0.00 -0.61 0.00 0.00 39.78 39.48 1j1u n ASN 268 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 1j1u s SER 269 N -3.78 -0.20 0.32 6.41 1.04 -1.26 -4.09 113.70 112.15 1j1u s SER 269 Ca 0.10 -0.68 0.03 0.00 0.48 0.00 0.00 55.95 55.88 1j1u s SER 269 Cb 0.15 0.63 0.55 0.00 0.10 0.00 0.00 66.02 67.44 1j1u s SER 269 CO 0.65 -1.17 1.84 0.22 0.98 0.00 0.00 173.24 175.76 1j1u h TYR 270 N 2.16 0.57 -0.56 5.02 3.20 -1.92 -1.79 116.97 123.65 1j1u h TYR 270 Ca -0.25 -0.07 -0.03 0.00 3.14 0.00 0.00 58.73 61.52 1j1u h TYR 270 Cb 1.25 -0.16 -0.03 0.00 1.54 0.00 0.00 36.73 39.34 1j1u h TYR 270 CO 0.39 0.58 0.23 0.93 -1.64 0.00 0.00 178.16 178.65 1j1u h GLU 271 N 0.52 0.81 -0.29 1.82 3.07 -1.99 -0.78 114.58 117.74 1j1u h GLU 271 Ca 0.11 -0.12 -0.10 0.00 -0.50 0.00 0.00 59.36 58.74 1j1u h GLU 271 Cb 0.39 -0.15 -0.01 0.00 -0.84 0.00 0.00 28.75 28.15 1j1u h GLU 271 CO 0.02 0.67 -0.23 1.49 -1.40 0.00 0.00 179.01 179.55 1j1u h GLU 272 N 0.80 0.67 -0.78 2.33 4.81 -1.83 -1.83 114.58 118.75 1j1u h GLU 272 Ca 0.19 -0.33 0.09 0.00 -0.13 0.00 0.00 59.36 59.18 1j1u h GLU 272 Cb 0.15 0.00 -0.07 0.00 0.63 0.00 0.00 28.75 29.47 1j1u h GLU 272 CO -0.02 0.93 0.44 1.25 -0.73 0.00 0.00 179.01 180.88 1j1u h LEU 273 N 0.41 0.62 -0.85 1.64 5.85 -0.85 -1.52 115.31 120.60 1j1u h LEU 273 Ca 0.05 0.05 -0.08 0.00 0.84 0.00 0.00 57.88 58.75 1j1u h LEU 273 Cb 0.78 -0.07 -0.02 0.00 0.37 0.00 0.00 40.66 41.72 1j1u h LEU 273 CO 0.06 0.36 0.02 -0.08 -0.34 0.00 0.00 178.44 178.46 1j1u h GLU 274 N 0.74 0.88 -0.34 1.25 4.81 -1.05 0.10 114.58 120.97 1j1u h GLU 274 Ca 0.37 -0.24 -0.08 0.00 -0.13 0.00 0.00 59.36 59.28 1j1u h GLU 274 Cb 0.34 -0.10 -0.01 0.00 0.63 0.00 0.00 28.75 29.61 1j1u h GLU 274 CO -0.24 0.86 -0.11 1.03 -0.73 0.00 0.00 179.01 179.82 1j1u h SER 275 N 0.82 0.69 -0.36 1.04 0.87 -0.63 -0.24 113.55 115.75 1j1u h SER 275 Ca 0.16 -0.38 -0.03 0.00 -1.23 0.00 0.00 61.79 60.31 1j1u h SER 275 Cb 0.45 -0.19 -0.02 0.00 -0.44 0.00 0.00 62.40 62.20 1j1u h SER 275 CO 0.02 0.92 0.14 -0.07 -0.53 0.00 0.00 176.83 177.31 1j1u h LEU 276 N 0.46 0.54 -0.05 2.23 3.38 -1.03 0.99 115.31 121.83 1j1u h LEU 276 Ca 0.08 -0.06 -0.03 0.00 0.09 0.00 0.00 57.88 57.96 1j1u h LEU 276 Cb 0.63 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.24 1j1u h LEU 276 CO 0.04 0.51 -0.09 0.15 0.09 0.00 0.00 178.44 179.14 1j1u h PHE 277 N 0.59 0.18 -0.46 1.13 3.57 -0.50 0.31 116.94 121.77 1j1u h PHE 277 Ca 0.14 -0.07 -0.01 0.00 3.53 0.00 0.00 57.97 61.57 1j1u h PHE 277 Cb 0.16 -0.03 -0.02 0.00 2.79 0.00 0.00 35.95 38.84 1j1u h PHE 277 CO 0.01 0.67 0.26 0.87 -2.23 0.00 0.00 178.31 177.89 1j1u h LYS 278 N -0.36 0.62 -0.19 1.11 1.57 -0.56 -1.14 116.57 117.63 1j1u h LYS 278 Ca 0.00 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.73 1j1u h LYS 278 Cb 0.66 -0.13 0.00 0.00 0.08 0.00 0.00 32.23 32.84 1j1u h LYS 278 CO 0.02 0.45 0.00 0.09 -0.57 0.00 0.00 179.45 179.44 1j1u n ASN 279 N -4.43 1.38 -1.08 0.86 3.02 0.30 -4.69 115.26 110.62 1j1u n ASN 279 Ca 0.04 -1.77 -0.12 0.00 -0.03 0.00 0.00 54.58 52.69 1j1u n ASN 279 Cb 0.09 -0.12 -0.03 0.00 -0.61 0.00 0.00 39.78 39.10 1j1u n ASN 279 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1j1u n LYS 280 N 0.17 -0.88 0.15 3.52 5.02 -0.43 -4.88 118.16 120.84 1j1u n LYS 280 Ca 0.13 0.80 0.05 0.00 -2.02 0.00 0.00 58.31 57.28 1j1u n LYS 280 Cb 0.26 -4.86 0.06 0.00 -0.02 0.00 0.00 35.03 30.47 1j1u n LYS 280 CO 0.00 0.00 0.00 1.49 -0.52 0.00 0.00 177.40 178.37 1j1u h GLU 281 N 0.00 0.00 -4.82 1.97 4.57 -1.18 -3.42 114.58 111.69 1j1u h GLU 281 Ca -0.26 0.00 -0.68 0.00 -1.18 0.00 0.00 59.36 57.24 1j1u h GLU 281 Cb 0.94 0.00 -0.31 0.00 -0.16 0.00 0.00 28.75 29.22 1j1u h GLU 281 CO 0.35 0.32 -0.69 -1.17 -1.18 0.00 0.00 179.01 176.64 1j1u s LEU 282 N -6.29 3.64 0.33 1.64 2.96 -0.89 -5.00 118.68 115.07 1j1u s LEU 282 Ca 0.04 -0.97 -0.26 0.00 -0.22 0.00 0.00 54.13 52.72 1j1u s LEU 282 Cb 0.07 -1.75 -0.10 0.00 0.50 0.00 0.00 46.19 44.92 1j1u s LEU 282 CO 0.73 -0.20 0.99 -2.28 -1.32 0.00 0.00 176.35 174.27 1j1u s HIS 283 N 1.35 3.60 0.33 5.38 5.65 -1.26 -4.65 115.29 125.69 1j1u s HIS 283 Ca -0.01 1.75 0.11 0.00 0.25 0.00 0.00 55.06 57.16 1j1u s HIS 283 Cb -0.18 -3.02 0.97 0.00 -1.18 0.00 0.00 32.58 29.18 1j1u s HIS 283 CO -0.01 -0.05 1.67 -1.35 -0.65 0.00 0.00 174.74 174.34 1j1u h PRO 284 N 3.16 0.31 -0.33 2.88 0.11 -1.95 -1.92 132.00 134.26 1j1u h PRO 284 Ca -0.47 -0.02 -0.02 0.00 0.11 0.00 0.00 66.00 65.60 1j1u h PRO 284 Cb 1.20 -0.07 -0.01 0.00 0.11 0.00 0.00 31.00 32.22 1j1u h PRO 284 CO 0.65 0.21 0.12 1.98 -0.21 0.00 0.00 178.00 180.74 1j1u h MET 285 N 0.32 0.51 -0.41 1.05 4.05 -1.95 0.24 114.93 118.73 1j1u h MET 285 Ca 0.68 -0.10 -0.06 0.00 -0.28 0.00 0.00 59.70 59.94 1j1u h MET 285 Cb 1.48 -0.08 -0.02 0.00 -0.80 0.00 0.00 31.60 32.19 1j1u h MET 285 CO -0.61 0.52 -0.01 -0.44 0.23 0.00 0.00 176.91 176.60 1j1u h ASP 286 N 0.39 0.64 -0.14 1.39 5.19 -1.73 -0.87 116.42 121.28 1j1u h ASP 286 Ca 0.11 -0.14 -0.00 0.00 -0.62 0.00 0.00 57.03 56.37 1j1u h ASP 286 Cb 0.21 -0.17 -0.01 0.00 0.18 0.00 0.00 39.33 39.55 1j1u h ASP 286 CO -0.01 0.71 0.07 0.25 -3.12 0.00 0.00 179.24 177.15 1j1u h LEU 287 N 0.63 0.18 -0.55 1.55 6.46 -1.04 -1.37 115.31 121.17 1j1u h LEU 287 Ca 0.13 -0.09 -0.02 0.00 -0.12 0.00 0.00 57.88 57.78 1j1u h LEU 287 Cb 0.41 -0.05 -0.03 0.00 -0.73 0.00 0.00 40.66 40.27 1j1u h LEU 287 CO 0.02 0.22 0.27 0.11 -0.62 0.00 0.00 178.44 178.43 1j1u h LYS 288 N 0.12 0.79 -0.69 1.25 1.57 -0.21 0.44 116.57 119.83 1j1u h LYS 288 Ca 0.05 -0.11 0.01 0.00 -1.87 0.00 0.00 60.65 58.72 1j1u h LYS 288 Cb 0.08 -0.14 -0.04 0.00 0.08 0.00 0.00 32.23 32.21 1j1u h LYS 288 CO -0.01 0.64 0.46 -0.91 -0.57 0.00 0.00 179.45 179.06 1j1u h ASN 289 N 0.74 0.79 -0.41 0.86 2.35 -1.09 0.28 115.58 119.10 1j1u h ASN 289 Ca 0.19 -0.02 -0.11 0.00 -0.55 0.00 0.00 56.30 55.82 1j1u h ASN 289 Cb 0.11 -0.20 -0.01 0.00 0.05 0.00 0.00 38.32 38.27 1j1u h ASN 289 CO -0.02 0.57 -0.16 0.00 -1.65 0.00 0.00 177.43 176.17 1j1u h ALA 290 N 1.26 0.57 -0.39 -0.83 0.00 -0.62 -2.48 119.26 116.76 1j1u h ALA 290 Ca 0.26 -0.35 -0.09 0.00 0.00 0.00 0.00 54.91 54.73 1j1u h ALA 290 Cb -0.10 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.54 1j1u h ALA 290 CO -0.06 0.50 -0.10 0.28 0.00 0.00 0.00 179.25 179.87 1j1u h VAL 291 N 0.64 1.28 -0.21 0.00 2.07 0.33 -0.36 116.25 119.99 1j1u h VAL 291 Ca 0.10 -1.19 0.00 0.00 0.82 0.00 0.00 66.70 66.43 1j1u h VAL 291 Cb 0.70 1.24 -0.01 0.00 -1.52 0.00 0.00 31.29 31.70 1j1u h VAL 291 CO 0.05 0.40 0.13 0.00 0.02 0.00 0.00 177.57 178.17 1j1u h ALA 292 N 0.84 0.27 -0.28 1.67 0.00 -0.48 0.28 119.26 121.56 1j1u h ALA 292 Ca 0.10 -0.01 -0.16 0.00 0.00 0.00 0.00 54.91 54.84 1j1u h ALA 292 Cb 0.62 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.33 1j1u h ALA 292 CO 0.04 -0.27 -0.47 0.93 0.00 0.00 0.00 179.25 179.48 1j1u h GLU 293 N 0.27 0.73 -0.50 0.00 4.39 -1.40 0.55 114.58 118.63 1j1u h GLU 293 Ca 0.08 -0.42 -0.08 0.00 0.34 0.00 0.00 59.36 59.28 1j1u h GLU 293 Cb -0.02 0.03 -0.02 0.00 -0.10 0.00 0.00 28.75 28.64 1j1u h GLU 293 CO -0.03 1.04 -0.01 0.93 -1.16 0.00 0.00 179.01 179.79 1j1u h GLU 294 N 0.58 0.89 -0.34 2.33 4.39 -0.76 -2.76 114.58 118.91 1j1u h GLU 294 Ca 0.03 -0.29 -0.01 0.00 0.34 0.00 0.00 59.36 59.44 1j1u h GLU 294 Cb 1.04 -0.08 -0.02 0.00 -0.10 0.00 0.00 28.75 29.59 1j1u h GLU 294 CO 0.10 0.92 0.19 1.25 -1.16 0.00 0.00 179.01 180.32 1j1u h LEU 295 N 0.75 0.43 -0.79 1.33 6.46 -0.14 -1.01 115.31 122.34 1j1u h LEU 295 Ca 0.14 -0.08 0.08 0.00 -0.12 0.00 0.00 57.88 57.90 1j1u h LEU 295 Cb 0.53 -0.11 -0.07 0.00 -0.73 0.00 0.00 40.66 40.28 1j1u h LEU 295 CO 0.03 0.39 0.45 0.40 -0.62 0.00 0.00 178.44 179.08 1j1u h ILE 296 N 0.43 0.93 -0.07 4.05 2.04 -0.86 0.03 117.51 124.07 1j1u h ILE 296 Ca 0.12 -0.26 -0.13 0.00 1.00 0.00 0.00 64.86 65.59 1j1u h ILE 296 Cb 0.05 0.09 -0.01 0.00 -0.74 0.00 0.00 36.82 36.21 1j1u h ILE 296 CO -0.02 0.14 -0.53 0.11 0.00 0.00 0.00 178.15 177.85 1j1u h LYS 297 N 0.77 0.19 -0.15 2.37 1.57 -1.15 -1.73 116.57 118.45 1j1u h LYS 297 Ca 0.37 -0.11 -0.19 0.00 -1.87 0.00 0.00 60.65 58.85 1j1u h LYS 297 Cb 0.31 0.01 -0.00 0.00 0.08 0.00 0.00 32.23 32.63 1j1u h LYS 297 CO -0.23 0.67 -0.67 0.82 -0.57 0.00 0.00 179.45 179.48 1j1u h ILE 298 N 0.15 1.33 0.00 1.86 2.04 0.07 -3.14 117.51 119.82 1j1u h ILE 298 Ca 0.00 -1.95 0.00 0.00 1.00 0.00 0.00 64.86 63.91 1j1u h ILE 298 Cb 0.98 1.93 0.00 0.00 -0.74 0.00 0.00 36.82 38.99 1j1u h ILE 298 CO 0.08 0.60 -0.35 0.18 0.00 0.00 0.00 178.15 178.66 1j1u n LEU 299 N -3.91 0.37 -0.12 1.44 4.77 -0.12 -4.28 117.00 115.14 1j1u n LEU 299 Ca -0.05 0.17 -0.07 0.00 -0.03 0.00 0.00 56.01 56.03 1j1u n LEU 299 Cb 0.68 -0.32 0.01 0.00 -2.33 0.00 0.00 43.42 41.45 1j1u n LEU 299 CO 0.49 0.07 1.00 -0.08 -1.33 0.00 0.00 177.39 177.54 1j1u h GLU 300 N 0.00 0.41 0.00 3.23 4.81 -1.26 -0.38 114.58 121.39 1j1u h GLU 300 Ca 0.00 -0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 59.20 1j1u h GLU 300 Cb 0.52 -0.09 -0.00 0.00 0.63 0.00 0.00 28.75 29.80 1j1u h GLU 300 CO 0.00 0.27 -0.04 -1.00 -0.73 0.00 0.00 179.01 177.52 1j1u h PRO 301 N 0.43 0.00 0.21 0.92 0.13 -1.76 0.69 132.00 132.61 1j1u h PRO 301 Ca 0.15 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.27 1j1u h PRO 301 Cb 0.03 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.16 1j1u h PRO 301 CO -0.09 0.04 -0.10 0.82 -0.23 0.00 0.00 178.00 178.44 1j1u h ILE 302 N 0.00 0.13 -0.62 -3.56 2.04 -1.54 -3.04 117.51 110.92 1j1u h ILE 302 Ca -0.00 -0.86 0.18 0.00 1.00 0.00 0.00 64.86 65.18 1j1u h ILE 302 Cb 0.10 0.23 -0.02 0.00 -0.74 0.00 0.00 36.82 36.38 1j1u h ILE 302 CO 0.00 0.04 0.49 -0.09 0.00 0.00 0.00 178.15 178.59 1j1u h ARG 303 N -1.06 0.00 -0.86 2.37 2.43 -0.93 -1.35 114.38 114.98 1j1u h ARG 303 Ca -0.03 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.13 1j1u h ARG 303 Cb 0.28 0.00 -0.04 0.00 -0.42 0.00 0.00 29.97 29.79 1j1u h ARG 303 CO 0.05 0.00 0.51 -0.22 -1.51 0.00 0.00 179.97 178.80 1j1u h LYS 304 N 0.00 1.17 -0.04 0.20 3.64 -0.85 -2.89 116.57 117.80 1j1u h LYS 304 Ca 0.30 -0.11 0.00 0.00 -1.27 0.00 0.00 60.65 59.56 1j1u h LYS 304 Cb 1.26 -0.24 0.00 0.00 -0.41 0.00 0.00 32.23 32.84 1j1u h LYS 304 CO -0.00 0.83 0.00 0.54 -2.27 0.00 0.00 179.45 178.54 1j1u n ARG 305 N -4.42 1.30 0.00 1.90 1.74 -0.51 -5.09 116.66 111.58 1j1u n ARG 305 Ca 0.09 -0.44 0.08 0.00 -0.77 0.00 0.00 57.85 56.81 1j1u n ARG 305 Cb 0.06 -1.41 0.06 0.00 -1.02 0.00 0.00 32.46 30.16 1j1u n ARG 305 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39