#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1j21 s LYS 2 N 0.00 3.08 -0.06 3.17 1.02 -1.26 0.93 119.74 126.62 1j21 s LYS 2 Ca 0.00 -0.39 -0.01 0.00 0.02 0.00 0.00 55.97 55.58 1j21 s LYS 2 Cb 0.00 -2.88 0.03 0.00 -0.52 0.00 0.00 37.83 34.46 1j21 s LYS 2 CO 0.00 0.70 0.02 0.42 -0.92 0.00 0.00 175.35 175.56 1j21 s ILE 3 N -1.02 0.24 -0.23 2.17 1.01 -0.18 -3.15 121.20 120.04 1j21 s ILE 3 Ca 0.17 0.20 -0.21 0.00 0.00 0.00 0.00 60.65 60.81 1j21 s ILE 3 Cb -0.12 -0.42 -0.02 0.00 0.01 0.00 0.00 42.46 41.91 1j21 s ILE 3 CO 0.07 0.23 0.63 -0.69 0.00 0.00 0.00 174.94 175.18 1j21 s VAL 4 N 1.95 5.00 -0.19 2.92 1.01 -0.54 -1.54 120.40 129.00 1j21 s VAL 4 Ca 0.04 1.17 -0.04 0.00 0.00 0.00 0.00 61.98 63.14 1j21 s VAL 4 Cb -0.12 -3.94 -0.02 0.00 0.00 0.00 0.00 36.38 32.29 1j21 s VAL 4 CO -0.04 0.06 -0.02 -0.22 0.00 0.00 0.00 175.10 174.88 1j21 s LEU 5 N 2.24 3.14 -0.61 3.92 2.96 0.42 -0.48 118.68 130.26 1j21 s LEU 5 Ca 0.27 -0.24 -0.26 0.00 -0.22 0.00 0.00 54.13 53.68 1j21 s LEU 5 Cb -0.16 -1.79 -0.02 0.00 0.50 0.00 0.00 46.19 44.73 1j21 s LEU 5 CO 0.09 0.07 1.87 0.00 -1.32 0.00 0.00 176.35 177.06 1j21 s ALA 6 N 0.98 2.16 -0.26 5.97 0.00 -0.48 -1.10 121.76 129.02 1j21 s ALA 6 Ca 0.01 -0.66 -0.07 0.00 0.00 0.00 0.00 51.96 51.24 1j21 s ALA 6 Cb -0.14 -4.31 -0.02 0.00 0.00 0.00 0.00 23.12 18.65 1j21 s ALA 6 CO 0.01 -3.92 0.06 -0.47 0.00 0.00 0.00 175.76 171.45 1j21 s TYR 7 N 9.12 3.08 -2.66 0.00 5.04 0.36 -4.56 117.35 127.74 1j21 s TYR 7 Ca 0.67 -0.59 0.25 0.00 -2.44 0.00 0.00 57.07 54.96 1j21 s TYR 7 Cb -0.13 -2.23 0.35 0.00 0.35 0.00 0.00 41.96 40.30 1j21 s TYR 7 CO 0.20 -0.42 1.34 -1.13 -1.34 0.00 0.00 175.55 174.20 1j21 n SER 8 N 4.90 2.42 0.00 4.32 3.41 -1.26 -3.75 113.62 123.67 1j21 n SER 8 Ca -0.16 -1.75 0.00 0.00 -0.26 0.00 0.00 58.87 56.70 1j21 n SER 8 Cb 0.51 0.09 0.00 0.00 -0.26 0.00 0.00 64.21 64.55 1j21 n SER 8 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1j21 n GLY 9 N 1.33 0.69 4.00 5.00 0.00 -1.26 -4.96 105.19 110.00 1j21 n GLY 9 Ca 0.14 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.93 1j21 n GLY 9 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1j21 s GLY 10 N -1.93 1.75 0.10 -0.02 0.00 -1.26 -4.93 107.32 101.02 1j21 s GLY 10 Ca 0.00 -1.87 -0.34 0.00 0.00 0.00 0.00 44.72 42.51 1j21 s GLY 10 CO 0.00 -1.27 1.58 -2.00 0.00 0.00 0.00 173.10 171.41 1j21 h LEU 11 N -0.52 -1.30 -0.65 0.66 5.85 -1.97 -2.07 115.31 115.32 1j21 h LEU 11 Ca -0.34 0.12 0.03 0.00 0.84 0.00 0.00 57.88 58.53 1j21 h LEU 11 Cb 1.26 0.45 -0.04 0.00 0.37 0.00 0.00 40.66 42.70 1j21 h LEU 11 CO 0.38 -0.58 0.40 0.44 -0.34 0.00 0.00 178.44 178.74 1j21 h ASP 12 N -0.84 0.64 0.84 1.25 3.32 -1.98 0.22 116.42 119.88 1j21 h ASP 12 Ca -0.03 0.01 -0.05 0.00 0.02 0.00 0.00 57.03 56.98 1j21 h ASP 12 Cb 0.77 -0.13 -0.01 0.00 0.22 0.00 0.00 39.33 40.19 1j21 h ASP 12 CO -0.14 0.44 -0.24 0.71 -1.72 0.00 0.00 179.24 178.29 1j21 h THR 13 N 0.77 0.62 -0.04 0.35 1.35 -1.94 0.44 112.91 114.46 1j21 h THR 13 Ca 0.26 -1.13 -0.04 0.00 -0.55 0.00 0.00 66.41 64.96 1j21 h THR 13 Cb 0.04 1.75 0.00 0.00 -1.73 0.00 0.00 68.15 68.21 1j21 h THR 13 CO -0.11 0.24 -0.13 0.28 -0.25 0.00 0.00 175.52 175.54 1j21 h SER 14 N 0.00 0.19 -0.51 5.36 0.02 -0.58 0.26 113.55 118.29 1j21 h SER 14 Ca -0.00 -0.63 0.07 0.00 -0.84 0.00 0.00 61.79 60.39 1j21 h SER 14 Cb 0.73 -0.05 -0.06 0.00 0.14 0.00 0.00 62.40 63.15 1j21 h SER 14 CO 0.03 0.78 0.18 0.40 -1.14 0.00 0.00 176.83 177.09 1j21 h ILE 15 N -0.39 0.83 -0.89 3.27 2.04 -0.17 -1.09 117.51 121.11 1j21 h ILE 15 Ca -0.01 -0.12 0.05 0.00 1.00 0.00 0.00 64.86 65.78 1j21 h ILE 15 Cb 0.77 0.43 -0.05 0.00 -0.74 0.00 0.00 36.82 37.22 1j21 h ILE 15 CO 0.03 0.07 0.58 0.40 0.00 0.00 0.00 178.15 179.23 1j21 h ILE 16 N 0.36 1.11 -0.56 -0.67 2.04 -0.03 0.22 117.51 119.99 1j21 h ILE 16 Ca 0.25 -0.36 -0.05 0.00 1.00 0.00 0.00 64.86 65.69 1j21 h ILE 16 Cb 0.26 -0.04 -0.02 0.00 -0.74 0.00 0.00 36.82 36.27 1j21 h ILE 16 CO -0.25 0.19 0.16 0.25 0.00 0.00 0.00 178.15 178.51 1j21 h LEU 17 N 1.06 0.83 -0.32 1.44 6.46 0.32 0.80 115.31 125.89 1j21 h LEU 17 Ca 0.37 -0.22 -0.09 0.00 -0.12 0.00 0.00 57.88 57.82 1j21 h LEU 17 Cb 0.10 -0.22 -0.01 0.00 -0.73 0.00 0.00 40.66 39.81 1j21 h LEU 17 CO -0.12 0.82 -0.15 0.11 -0.62 0.00 0.00 178.44 178.48 1j21 h LYS 18 N 0.79 0.67 -0.96 1.25 1.79 -0.70 -2.65 116.57 116.76 1j21 h LYS 18 Ca 0.18 -0.29 0.06 0.00 -2.18 0.00 0.00 60.65 58.42 1j21 h LYS 18 Cb 0.30 -0.02 -0.06 0.00 -1.58 0.00 0.00 32.23 30.87 1j21 h LYS 18 CO -0.00 0.88 0.62 2.35 -1.08 0.00 0.00 179.45 182.22 1j21 h TRP 19 N 0.44 1.14 -0.63 -1.35 7.01 -0.27 0.85 115.95 123.13 1j21 h TRP 19 Ca 0.07 0.03 -0.08 0.00 2.11 0.00 0.00 58.89 61.02 1j21 h TRP 19 Cb 0.68 -0.38 -0.02 0.00 -2.10 0.00 0.00 29.16 27.34 1j21 h TRP 19 CO 0.06 0.61 0.09 -0.07 -2.79 0.00 0.00 178.44 176.33 1j21 h LEU 20 N 1.13 1.02 0.11 0.65 3.38 -0.68 -0.38 115.31 120.54 1j21 h LEU 20 Ca 0.41 -0.27 -0.01 0.00 0.09 0.00 0.00 57.88 58.10 1j21 h LEU 20 Cb 0.14 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 40.62 1j21 h LEU 20 CO -0.15 1.03 -0.05 0.11 0.09 0.00 0.00 178.44 179.47 1j21 h LYS 21 N 0.97 -0.14 -0.93 1.13 1.79 -1.05 -1.68 116.57 116.67 1j21 h LYS 21 Ca 0.19 0.01 0.08 0.00 -2.18 0.00 0.00 60.65 58.75 1j21 h LYS 21 Cb 0.46 0.03 -0.07 0.00 -1.58 0.00 0.00 32.23 31.07 1j21 h LYS 21 CO 0.02 0.35 0.59 1.49 -1.08 0.00 0.00 179.45 180.81 1j21 h GLU 22 N -0.73 1.00 0.00 3.15 4.81 -0.85 0.78 114.58 122.74 1j21 h GLU 22 Ca -0.01 -0.06 -0.05 0.00 -0.13 0.00 0.00 59.36 59.11 1j21 h GLU 22 Cb 0.55 -0.23 -0.01 0.00 0.63 0.00 0.00 28.75 29.70 1j21 h GLU 22 CO 0.02 0.66 -0.34 1.15 -0.73 0.00 0.00 179.01 179.78 1j21 h THR 23 N 1.03 0.89 0.00 0.32 2.02 -1.15 -3.38 112.91 112.64 1j21 h THR 23 Ca 0.42 -1.77 0.00 0.00 0.77 0.00 0.00 66.41 65.83 1j21 h THR 23 Cb 0.24 1.78 0.00 0.00 -1.74 0.00 0.00 68.15 68.44 1j21 h THR 23 CO -0.20 0.30 -0.69 -1.22 0.37 0.00 0.00 175.52 174.09 1j21 n TYR 24 N -4.62 0.14 -4.18 3.16 4.02 -0.64 -4.95 117.16 110.09 1j21 n TYR 24 Ca -0.12 0.04 -0.34 0.00 -0.01 0.00 0.00 57.90 57.47 1j21 n TYR 24 Cb 0.37 -0.32 -0.03 0.00 -0.02 0.00 0.00 39.34 39.34 1j21 n TYR 24 CO 0.00 0.00 0.00 -2.13 -1.01 0.00 0.00 176.86 173.72 1j21 n ARG 25 N -1.69 -3.15 -3.80 -0.72 0.63 0.27 -4.81 116.66 103.39 1j21 n ARG 25 Ca 0.04 0.37 -0.21 0.00 -0.92 0.00 0.00 57.85 57.13 1j21 n ARG 25 Cb 0.37 -4.96 -0.04 0.00 0.45 0.00 0.00 32.46 28.28 1j21 n ARG 25 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1j21 s ALA 26 N -3.43 3.84 -0.13 5.13 0.00 -1.25 -4.54 121.76 121.37 1j21 s ALA 26 Ca 0.60 -1.74 -0.29 0.00 0.00 0.00 0.00 51.96 50.52 1j21 s ALA 26 Cb -0.32 -1.06 -0.01 0.00 0.00 0.00 0.00 23.12 21.72 1j21 s ALA 26 CO 0.92 -0.05 1.03 -2.00 0.00 0.00 0.00 175.76 175.67 1j21 s GLU 27 N -4.01 4.38 -0.34 0.00 2.12 0.26 -4.60 118.70 116.52 1j21 s GLU 27 Ca 0.42 1.40 -0.10 0.00 0.36 0.00 0.00 54.97 57.05 1j21 s GLU 27 Cb -0.05 -3.57 0.01 0.00 0.26 0.00 0.00 34.13 30.79 1j21 s GLU 27 CO 0.26 -0.40 0.18 0.08 -0.54 0.00 0.00 175.26 174.84 1j21 s VAL 28 N 2.32 4.59 -0.35 3.70 1.01 -1.26 -1.01 120.40 129.39 1j21 s VAL 28 Ca 0.48 -0.65 -0.17 0.00 0.00 0.00 0.00 61.98 61.65 1j21 s VAL 28 Cb -0.18 -3.45 -0.01 0.00 0.00 0.00 0.00 36.38 32.74 1j21 s VAL 28 CO 0.15 -0.09 0.43 -0.63 0.00 0.00 0.00 175.10 174.96 1j21 s ILE 29 N 1.58 5.10 0.25 2.22 -1.09 -0.59 -1.55 121.20 127.13 1j21 s ILE 29 Ca 0.03 0.12 -0.18 0.00 -2.23 0.00 0.00 60.65 58.40 1j21 s ILE 29 Cb -0.18 -3.90 -0.08 0.00 -1.58 0.00 0.00 42.46 36.72 1j21 s ILE 29 CO 0.06 -0.17 0.72 0.00 -1.23 0.00 0.00 174.94 174.32 1j21 s ALA 30 N 2.18 3.39 -0.06 9.38 0.00 0.42 -0.44 121.76 136.64 1j21 s ALA 30 Ca 0.14 0.11 -0.01 0.00 0.00 0.00 0.00 51.96 52.21 1j21 s ALA 30 Cb -0.16 -2.79 0.03 0.00 0.00 0.00 0.00 23.12 20.20 1j21 s ALA 30 CO 0.12 0.34 0.02 0.12 0.00 0.00 0.00 175.76 176.36 1j21 s PHE 31 N -1.66 0.44 -0.07 0.00 5.36 -0.26 -0.10 117.98 121.69 1j21 s PHE 31 Ca 0.46 -0.02 0.05 0.00 -0.96 0.00 0.00 56.93 56.47 1j21 s PHE 31 Cb -0.15 -0.65 -0.01 0.00 -0.34 0.00 0.00 43.02 41.88 1j21 s PHE 31 CO 0.20 -0.26 -0.23 0.99 -1.46 0.00 0.00 175.22 174.46 1j21 s THR 32 N 1.89 1.93 -0.09 0.12 2.01 0.60 -0.49 115.64 121.61 1j21 s THR 32 Ca 0.03 -0.98 0.02 0.00 0.31 0.00 0.00 61.69 61.07 1j21 s THR 32 Cb -0.12 -1.64 -0.02 0.00 0.01 0.00 0.00 72.50 70.72 1j21 s THR 32 CO -0.04 0.54 -0.14 0.00 -0.69 0.00 0.00 174.62 174.28 1j21 s ALA 33 N 0.03 2.61 -0.45 7.40 0.00 -1.26 -1.74 121.76 128.36 1j21 s ALA 33 Ca -0.08 -0.93 -0.21 0.00 0.00 0.00 0.00 51.96 50.74 1j21 s ALA 33 Cb -0.15 -1.09 0.03 0.00 0.00 0.00 0.00 23.12 21.91 1j21 s ALA 33 CO 0.05 0.38 0.67 0.34 0.00 0.00 0.00 175.76 177.20 1j21 s ASP 34 N -0.11 6.33 -0.12 0.00 -1.08 0.12 -4.82 116.67 116.98 1j21 s ASP 34 Ca -0.02 -0.35 0.17 0.00 -0.52 0.00 0.00 52.55 51.83 1j21 s ASP 34 Cb -0.14 -2.33 0.27 0.00 -1.46 0.00 0.00 42.92 39.27 1j21 s ASP 34 CO 0.04 -0.82 1.14 2.30 0.52 0.00 0.00 175.17 178.35 1j21 n ILE 35 N 5.88 1.75 -0.73 4.11 -5.35 -1.26 -0.72 119.36 123.04 1j21 n ILE 35 Ca -0.01 -2.13 0.00 0.00 -0.27 0.00 0.00 62.75 60.34 1j21 n ILE 35 Cb 0.48 -0.18 0.00 0.00 -1.74 0.00 0.00 39.64 38.20 1j21 n ILE 35 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1j21 n GLY 36 N -1.30 1.40 0.05 3.28 0.00 -1.26 -0.93 105.19 106.43 1j21 n GLY 36 Ca 0.15 -0.32 0.12 0.00 0.00 0.00 0.00 46.02 45.97 1j21 n GLY 36 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1j21 n GLN 37 N -0.97 0.11 -2.16 1.61 3.00 -1.25 -3.51 117.38 114.21 1j21 n GLN 37 Ca 0.00 0.20 -0.01 0.00 -0.01 0.00 0.00 57.00 57.18 1j21 n GLN 37 Cb 0.18 -1.65 0.00 0.00 0.00 0.00 0.00 30.24 28.77 1j21 n GLN 37 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1j21 n GLY 38 N 0.77 0.50 3.23 1.08 0.00 -1.26 -4.83 105.19 104.68 1j21 n GLY 38 Ca 0.05 -0.80 -0.28 0.00 0.00 0.00 0.00 46.02 44.99 1j21 n GLY 38 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1j21 s GLU 39 N -4.32 1.92 -0.98 1.61 -1.05 -1.26 -5.03 118.70 109.59 1j21 s GLU 39 Ca 0.01 -0.79 -0.24 0.00 -0.15 0.00 0.00 54.97 53.80 1j21 s GLU 39 Cb -0.00 -1.78 -0.05 0.00 -0.44 0.00 0.00 34.13 31.85 1j21 s GLU 39 CO 0.01 0.43 1.93 -2.00 0.95 0.00 0.00 175.26 176.57 1j21 s GLU 40 N -0.38 2.59 0.62 -4.83 2.56 -1.26 -4.72 118.70 113.27 1j21 s GLU 40 Ca 0.05 -0.54 0.27 0.00 0.00 0.00 0.00 54.97 54.75 1j21 s GLU 40 Cb -0.10 -5.12 1.36 0.00 2.00 0.00 0.00 34.13 32.27 1j21 s GLU 40 CO 0.00 -3.47 1.78 0.28 -0.56 0.00 0.00 175.26 173.29 1j21 h VAL 41 N 6.98 0.19 -0.08 3.70 2.07 -1.96 0.23 116.25 127.37 1j21 h VAL 41 Ca 0.13 0.00 -0.09 0.00 0.82 0.00 0.00 66.70 67.56 1j21 h VAL 41 Cb 0.99 0.52 -0.01 0.00 -1.52 0.00 0.00 31.29 31.27 1j21 h VAL 41 CO 1.22 0.00 -0.36 -0.08 0.02 0.00 0.00 177.57 178.37 1j21 h GLU 42 N 0.00 0.17 -0.17 1.57 4.57 -1.99 -2.02 114.58 116.71 1j21 h GLU 42 Ca 0.16 -0.07 -0.01 0.00 -1.18 0.00 0.00 59.36 58.27 1j21 h GLU 42 Cb 1.27 -0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 29.85 1j21 h GLU 42 CO -0.00 0.51 0.06 0.93 -1.18 0.00 0.00 179.01 179.33 1j21 h GLU 43 N 0.15 0.25 -0.53 1.92 5.08 -0.93 -1.89 114.58 118.63 1j21 h GLU 43 Ca 0.02 -0.05 0.10 0.00 -1.00 0.00 0.00 59.36 58.43 1j21 h GLU 43 Cb 0.71 -0.04 -0.08 0.00 0.50 0.00 0.00 28.75 29.84 1j21 h GLU 43 CO 0.05 0.35 0.06 0.00 -1.00 0.00 0.00 179.01 178.47 1j21 h ALA 44 N 0.89 0.56 -0.31 3.43 0.00 -1.48 0.54 119.26 122.89 1j21 h ALA 44 Ca 0.05 0.13 -0.01 0.00 0.00 0.00 0.00 54.91 55.08 1j21 h ALA 44 Cb 0.19 0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.17 1j21 h ALA 44 CO -0.00 -0.35 0.13 -0.09 0.00 0.00 0.00 179.25 178.94 1j21 h ARG 45 N 0.19 0.43 0.00 0.00 2.43 -1.00 -0.25 114.38 116.17 1j21 h ARG 45 Ca 0.27 -0.05 -0.00 0.00 -0.81 0.00 0.00 59.98 59.39 1j21 h ARG 45 Cb 0.40 -0.09 -0.00 0.00 -0.42 0.00 0.00 29.97 29.86 1j21 h ARG 45 CO -0.39 0.35 -0.00 0.93 -1.51 0.00 0.00 179.97 179.35 1j21 h GLU 46 N 0.43 0.00 -0.63 0.20 5.08 -0.43 -3.13 114.58 116.10 1j21 h GLU 46 Ca 0.11 0.00 0.18 0.00 -1.00 0.00 0.00 59.36 58.65 1j21 h GLU 46 Cb 0.08 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.30 1j21 h GLU 46 CO -0.01 0.99 0.58 -0.22 -1.00 0.00 0.00 179.01 179.35 1j21 h LYS 47 N -1.00 0.00 0.13 2.33 3.64 0.32 0.76 116.57 122.75 1j21 h LYS 47 Ca -0.00 0.00 -0.28 0.00 -1.27 0.00 0.00 60.65 59.10 1j21 h LYS 47 Cb 0.99 0.00 0.01 0.00 -0.41 0.00 0.00 32.23 32.83 1j21 h LYS 47 CO -0.00 0.00 -1.23 0.00 -2.27 0.00 0.00 179.45 175.95 1j21 h ALA 48 N 1.43 0.08 -0.14 5.00 0.00 -1.08 -2.04 119.26 122.51 1j21 h ALA 48 Ca 0.30 -0.83 -0.10 0.00 0.00 0.00 0.00 54.91 54.28 1j21 h ALA 48 Cb 1.46 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 19.29 1j21 h ALA 48 CO -0.00 0.85 -0.37 -0.07 0.00 0.00 0.00 179.25 179.65 1j21 h LEU 49 N 0.15 0.30 -0.13 0.00 3.38 -0.87 0.43 115.31 118.56 1j21 h LEU 49 Ca -0.16 -0.12 0.00 0.00 0.09 0.00 0.00 57.88 57.70 1j21 h LEU 49 Cb 1.93 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 42.60 1j21 h LEU 49 CO 0.22 0.65 0.00 -1.14 0.09 0.00 0.00 178.44 178.25 1j21 n ARG 50 N -4.06 1.09 0.00 1.13 0.63 -0.25 -2.84 116.66 112.37 1j21 n ARG 50 Ca -0.01 -0.13 0.03 0.00 -0.92 0.00 0.00 57.85 56.81 1j21 n ARG 50 Cb 0.46 -1.46 0.02 0.00 0.45 0.00 0.00 32.46 31.93 1j21 n ARG 50 CO 0.00 0.00 0.00 2.41 -2.51 0.00 0.00 177.63 177.53 1j21 n THR 51 N -0.80 0.00 0.00 5.15 -1.04 -0.64 -4.96 114.28 111.99 1j21 n THR 51 Ca 0.21 -0.48 0.00 0.00 -2.04 0.00 0.00 64.05 61.74 1j21 n THR 51 Cb 0.13 1.11 0.00 0.00 -1.82 0.00 0.00 70.33 69.76 1j21 n THR 51 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1j21 n GLY 52 N 0.45 1.09 3.69 3.41 0.00 -1.00 -4.59 105.19 108.24 1j21 n GLY 52 Ca 0.03 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.63 1j21 n GLY 52 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1j21 s ALA 53 N -1.95 3.71 -0.75 4.61 0.00 0.14 -4.66 121.76 122.87 1j21 s ALA 53 Ca 0.00 1.27 0.25 0.00 0.00 0.00 0.00 51.96 53.48 1j21 s ALA 53 Cb 0.00 -3.70 0.92 0.00 0.00 0.00 0.00 23.12 20.33 1j21 s ALA 53 CO 0.00 -1.10 1.75 -1.13 0.00 0.00 0.00 175.76 175.28 1j21 n SER 54 N 5.47 0.52 -3.65 0.00 3.41 -0.59 -4.53 113.62 114.25 1j21 n SER 54 Ca 0.16 0.58 -0.00 0.00 -0.26 0.00 0.00 58.87 59.34 1j21 n SER 54 Cb 0.40 -0.71 -0.06 0.00 -0.26 0.00 0.00 64.21 63.58 1j21 n SER 54 CO 0.00 0.00 0.00 -0.75 -0.16 0.00 0.00 175.04 174.13 1j21 s LYS 55 N -3.13 0.24 -0.03 4.33 2.20 -1.23 -5.02 119.74 117.10 1j21 s LYS 55 Ca 0.09 0.41 0.07 0.00 -0.36 0.00 0.00 55.97 56.19 1j21 s LYS 55 Cb 0.12 0.05 -0.02 0.00 -1.51 0.00 0.00 37.83 36.48 1j21 s LYS 55 CO 0.49 -0.05 -0.25 0.00 -0.36 0.00 0.00 175.35 175.17 1j21 s ALA 56 N 1.20 2.18 -0.04 3.13 0.00 -1.26 -0.43 121.76 126.53 1j21 s ALA 56 Ca -0.08 -1.09 0.04 0.00 0.00 0.00 0.00 51.96 50.83 1j21 s ALA 56 Cb -0.03 -0.61 -0.00 0.00 0.00 0.00 0.00 23.12 22.48 1j21 s ALA 56 CO -0.13 0.49 -0.16 0.42 0.00 0.00 0.00 175.76 176.38 1j21 s ILE 57 N -0.45 1.33 -0.04 0.00 1.01 0.86 -4.93 121.20 118.98 1j21 s ILE 57 Ca 0.05 -0.66 0.03 0.00 0.00 0.00 0.00 60.65 60.07 1j21 s ILE 57 Cb -0.11 -1.15 0.00 0.00 0.01 0.00 0.00 42.46 41.21 1j21 s ILE 57 CO 0.01 0.39 -0.14 0.00 0.00 0.00 0.00 174.94 175.19 1j21 s ALA 58 N 0.05 1.30 -0.01 9.38 0.00 -1.26 -0.29 121.76 130.94 1j21 s ALA 58 Ca -0.03 -0.54 0.02 0.00 0.00 0.00 0.00 51.96 51.41 1j21 s ALA 58 Cb -0.11 -0.48 -0.00 0.00 0.00 0.00 0.00 23.12 22.53 1j21 s ALA 58 CO 0.02 0.20 -0.08 -0.51 0.00 0.00 0.00 175.76 175.40 1j21 s LEU 59 N 0.23 1.88 -0.57 0.00 1.43 -0.71 -4.98 118.68 115.96 1j21 s LEU 59 Ca -0.06 -0.15 -0.25 0.00 -1.03 0.00 0.00 54.13 52.63 1j21 s LEU 59 Cb -0.12 -0.44 0.04 0.00 0.03 0.00 0.00 46.19 45.70 1j21 s LEU 59 CO 0.02 0.07 1.02 -0.62 0.23 0.00 0.00 176.35 177.07 1j21 s ASP 60 N 0.03 6.36 -0.08 2.29 -1.08 -1.26 0.10 116.67 123.03 1j21 s ASP 60 Ca -0.00 -0.25 0.13 0.00 -0.52 0.00 0.00 52.55 51.91 1j21 s ASP 60 Cb -0.06 -2.47 0.38 0.00 -1.46 0.00 0.00 42.92 39.31 1j21 s ASP 60 CO -0.00 -1.32 1.30 0.18 0.52 0.00 0.00 175.17 175.85 1j21 n LEU 61 N 7.79 3.24 -0.13 -1.34 4.77 0.11 -4.75 117.00 126.69 1j21 n LEU 61 Ca 0.03 -2.49 -0.04 0.00 -0.03 0.00 0.00 56.01 53.48 1j21 n LEU 61 Cb 0.48 -0.36 0.02 0.00 -2.33 0.00 0.00 43.42 41.23 1j21 n LEU 61 CO 0.66 0.69 0.76 0.11 -1.33 0.00 0.00 177.39 178.28 1j21 h LYS 62 N 1.67 -0.03 0.07 3.23 6.56 -1.81 -0.34 116.57 125.92 1j21 h LYS 62 Ca 0.00 0.00 -0.00 0.00 -1.06 0.00 0.00 60.65 59.59 1j21 h LYS 62 Cb 1.03 0.01 0.00 0.00 -0.57 0.00 0.00 32.23 32.70 1j21 h LYS 62 CO 0.10 -0.02 -0.03 0.93 -2.06 0.00 0.00 179.45 178.36 1j21 h GLU 63 N -0.03 -0.09 -0.83 3.15 4.39 -1.91 -2.31 114.58 116.94 1j21 h GLU 63 Ca 0.21 0.01 0.06 0.00 0.34 0.00 0.00 59.36 59.97 1j21 h GLU 63 Cb 0.35 0.02 -0.06 0.00 -0.10 0.00 0.00 28.75 28.97 1j21 h GLU 63 CO -0.47 0.03 0.52 1.49 -1.16 0.00 0.00 179.01 179.42 1j21 h GLU 64 N -0.19 0.93 0.34 2.33 4.81 -1.84 0.61 114.58 121.57 1j21 h GLU 64 Ca -0.01 -0.06 -0.00 0.00 -0.13 0.00 0.00 59.36 59.16 1j21 h GLU 64 Cb 0.16 -0.21 -0.03 0.00 0.63 0.00 0.00 28.75 29.30 1j21 h GLU 64 CO 0.02 0.61 -0.49 0.35 -0.73 0.00 0.00 179.01 178.77 1j21 h PHE 65 N 0.95 -1.38 -0.44 0.92 3.57 -0.85 0.22 116.94 119.94 1j21 h PHE 65 Ca 0.36 0.02 -0.11 0.00 3.53 0.00 0.00 57.97 61.77 1j21 h PHE 65 Cb 0.14 0.56 -0.02 0.00 2.79 0.00 0.00 35.95 39.42 1j21 h PHE 65 CO -0.03 -0.62 -0.18 0.28 -2.23 0.00 0.00 178.31 175.53 1j21 h VAL 66 N -0.88 1.27 -0.01 1.41 2.07 -1.14 -1.00 116.25 117.97 1j21 h VAL 66 Ca -0.03 -1.30 -0.10 0.00 0.82 0.00 0.00 66.70 66.09 1j21 h VAL 66 Cb 0.81 1.11 0.01 0.00 -1.52 0.00 0.00 31.29 31.70 1j21 h VAL 66 CO -0.15 0.44 -0.39 -0.09 0.02 0.00 0.00 177.57 177.41 1j21 h ARG 67 N 0.76 0.28 -0.01 1.57 2.43 -0.79 -0.49 114.38 118.13 1j21 h ARG 67 Ca 0.11 -0.29 0.00 0.00 -0.81 0.00 0.00 59.98 58.99 1j21 h ARG 67 Cb 0.70 0.08 0.00 0.00 -0.42 0.00 0.00 29.97 30.33 1j21 h ARG 67 CO 0.05 0.99 -0.56 -0.25 -1.51 0.00 0.00 179.97 178.69 1j21 n ASP 68 N -4.39 1.12 0.05 -3.80 8.00 0.78 -4.46 116.55 113.86 1j21 n ASP 68 Ca -0.10 -0.90 0.00 0.00 0.71 0.00 0.00 54.79 54.50 1j21 n ASP 68 Cb 0.57 0.47 0.00 0.00 -0.02 0.00 0.00 41.12 42.14 1j21 n ASP 68 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 1j21 n PHE 69 N -0.94 -0.66 -0.04 1.24 3.01 -0.47 -4.75 117.46 114.86 1j21 n PHE 69 Ca 0.08 0.12 -0.11 0.00 1.01 0.00 0.00 57.45 58.54 1j21 n PHE 69 Cb 0.37 0.23 -0.06 0.00 -0.01 0.00 0.00 39.48 40.01 1j21 n PHE 69 CO 0.00 0.00 0.00 0.28 1.01 0.00 0.00 176.76 178.05 1j21 h VAL 70 N 0.00 1.20 -0.03 -4.37 2.07 -1.34 -2.90 116.25 110.88 1j21 h VAL 70 Ca 0.00 -0.62 -0.00 0.00 0.82 0.00 0.00 66.70 66.90 1j21 h VAL 70 Cb 0.24 1.35 -0.00 0.00 -1.52 0.00 0.00 31.29 31.35 1j21 h VAL 70 CO 0.00 0.18 0.02 -0.26 0.02 0.00 0.00 177.57 177.53 1j21 h PHE 71 N 0.03 0.04 -0.89 1.57 -1.00 -1.31 0.13 116.94 115.51 1j21 h PHE 71 Ca 0.04 -0.00 0.09 0.00 2.81 0.00 0.00 57.97 60.91 1j21 h PHE 71 Cb 0.25 -0.01 -0.06 0.00 3.61 0.00 0.00 35.95 39.74 1j21 h PHE 71 CO 0.01 0.07 0.58 -1.35 -1.61 0.00 0.00 178.31 176.01 1j21 h PRO 72 N -0.00 0.90 -0.33 1.51 0.11 -1.78 0.19 132.00 132.60 1j21 h PRO 72 Ca 0.01 -0.05 -0.15 0.00 0.11 0.00 0.00 66.00 65.91 1j21 h PRO 72 Cb 0.04 -0.20 -0.00 0.00 0.11 0.00 0.00 31.00 30.95 1j21 h PRO 72 CO -0.00 0.60 -0.40 1.98 -0.21 0.00 0.00 178.00 179.97 1j21 h MET 73 N 0.93 0.85 -0.42 1.05 1.85 -1.26 -3.05 114.93 114.89 1j21 h MET 73 Ca 0.40 -0.48 -0.10 0.00 -0.61 0.00 0.00 59.70 58.92 1j21 h MET 73 Cb 0.33 0.03 -0.01 0.00 0.43 0.00 0.00 31.60 32.38 1j21 h MET 73 CO -0.17 1.12 -0.13 0.52 -0.40 0.00 0.00 176.91 177.85 1j21 h MET 74 N 0.64 0.82 -0.85 0.39 2.86 -0.29 -2.45 114.93 116.05 1j21 h MET 74 Ca 0.04 -0.33 0.25 0.00 -2.06 0.00 0.00 59.70 57.60 1j21 h MET 74 Cb 0.99 -0.04 -0.03 0.00 0.06 0.00 0.00 31.60 32.58 1j21 h MET 74 CO 0.10 0.96 0.66 -0.09 1.06 0.00 0.00 176.91 179.59 1j21 h ARG 75 N 0.64 0.00 -0.01 1.72 2.43 -0.60 0.45 114.38 119.01 1j21 h ARG 75 Ca 0.10 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.27 1j21 h ARG 75 Cb 0.67 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.22 1j21 h ARG 75 CO 0.05 0.00 -0.34 0.00 -1.51 0.00 0.00 179.97 178.17 1j21 n ALA 76 N -2.62 3.25 -2.31 2.80 0.00 -0.93 -4.77 120.51 115.93 1j21 n ALA 76 Ca 0.17 -0.43 -0.11 0.00 0.00 0.00 0.00 53.44 53.08 1j21 n ALA 76 Cb 0.96 -1.08 0.00 0.00 0.00 0.00 0.00 19.45 19.33 1j21 n ALA 76 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1j21 n GLY 77 N 1.38 -0.03 3.66 0.00 0.00 0.16 -4.62 105.19 105.73 1j21 n GLY 77 Ca 0.11 -0.41 -0.42 0.00 0.00 0.00 0.00 46.02 45.29 1j21 n GLY 77 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1j21 s ALA 78 N -2.61 3.59 -0.14 4.61 0.00 -1.16 -4.83 121.76 121.22 1j21 s ALA 78 Ca 0.04 1.15 -0.04 0.00 0.00 0.00 0.00 51.96 53.10 1j21 s ALA 78 Cb -0.02 -3.80 0.06 0.00 0.00 0.00 0.00 23.12 19.36 1j21 s ALA 78 CO 0.05 -1.50 0.16 0.08 0.00 0.00 0.00 175.76 174.55 1j21 s VAL 79 N 4.30 -0.24 -0.12 0.00 1.01 -1.26 -4.77 120.40 119.31 1j21 s VAL 79 Ca 0.82 0.11 -0.28 0.00 0.00 0.00 0.00 61.98 62.63 1j21 s VAL 79 Cb -0.38 -0.47 -0.01 0.00 0.00 0.00 0.00 36.38 35.51 1j21 s VAL 79 CO 0.36 -0.05 0.92 -0.47 0.00 0.00 0.00 175.10 175.87 1j21 s TYR 80 N 2.27 3.49 -1.58 5.22 5.04 -0.08 -4.12 117.35 127.60 1j21 s TYR 80 Ca 0.04 1.45 -0.08 0.00 -2.44 0.00 0.00 57.07 56.04 1j21 s TYR 80 Cb -0.14 -3.10 0.07 0.00 0.35 0.00 0.00 41.96 39.15 1j21 s TYR 80 CO -0.08 -0.20 0.46 0.39 -1.34 0.00 0.00 175.55 174.77 1j21 n GLU 81 N 4.98 -2.50 0.00 4.97 1.02 -1.26 -2.07 120.64 125.78 1j21 n GLU 81 Ca 0.06 0.30 0.00 0.00 -0.02 0.00 0.00 57.16 57.51 1j21 n GLU 81 Cb 0.49 -4.52 0.00 0.00 -0.02 0.00 0.00 31.44 27.39 1j21 n GLU 81 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1j21 n GLY 82 N -1.85 2.76 0.00 0.62 0.00 -1.26 -4.67 105.19 100.79 1j21 n GLY 82 Ca -0.15 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.87 1j21 n GLY 82 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1j21 n TYR 83 N -1.96 0.00 -2.41 1.61 4.02 -1.03 -5.08 117.16 112.31 1j21 n TYR 83 Ca 0.00 0.00 -0.43 0.00 -0.01 0.00 0.00 57.90 57.46 1j21 n TYR 83 Cb 0.00 0.00 -0.02 0.00 -0.02 0.00 0.00 39.34 39.30 1j21 n TYR 83 CO 0.00 0.00 0.00 -0.47 -1.01 0.00 0.00 176.86 175.38 1j21 s TYR 84 N -1.00 2.73 -1.82 -0.72 5.04 -0.88 -4.87 117.35 115.83 1j21 s TYR 84 Ca 0.00 0.92 0.05 0.00 -2.44 0.00 0.00 57.07 55.60 1j21 s TYR 84 Cb 0.00 -3.72 0.15 0.00 0.35 0.00 0.00 41.96 38.75 1j21 s TYR 84 CO 0.00 -1.77 1.07 1.28 -1.34 0.00 0.00 175.55 174.79 1j21 n LEU 85 N 7.17 1.06 -3.12 6.97 4.77 -1.26 -0.90 117.00 131.69 1j21 n LEU 85 Ca 0.15 -0.53 -0.22 0.00 -0.03 0.00 0.00 56.01 55.37 1j21 n LEU 85 Cb 0.46 -0.18 0.05 0.00 -2.33 0.00 0.00 43.42 41.42 1j21 n LEU 85 CO 0.60 0.24 0.10 0.18 -1.33 0.00 0.00 177.39 177.18 1j21 n LEU 86 N 0.01 -2.95 -0.14 2.23 4.77 -1.26 -4.92 117.00 114.74 1j21 n LEU 86 Ca 0.06 -0.38 -0.03 0.00 -0.03 0.00 0.00 56.01 55.63 1j21 n LEU 86 Cb 0.19 -2.89 0.05 0.00 -2.33 0.00 0.00 43.42 38.44 1j21 n LEU 86 CO 0.04 0.40 0.90 1.23 -1.33 0.00 0.00 177.39 178.63 1j21 h GLY 87 N -1.87 0.54 1.07 -0.72 0.00 -1.92 -2.72 103.07 97.44 1j21 h GLY 87 Ca -0.52 -0.02 -0.28 0.00 0.00 0.00 0.00 47.33 46.51 1j21 h GLY 87 CO 0.54 -0.06 -1.19 -0.84 0.00 0.00 0.00 176.54 174.98 1j21 h THR 88 N 0.21 1.35 -0.42 4.70 2.02 -1.94 -3.36 112.91 115.48 1j21 h THR 88 Ca 0.23 -2.56 0.08 0.00 0.77 0.00 0.00 66.41 64.93 1j21 h THR 88 Cb 0.29 2.98 -0.09 0.00 -1.74 0.00 0.00 68.15 69.59 1j21 h THR 88 CO -0.30 0.76 -0.30 0.28 0.37 0.00 0.00 175.52 176.32 1j21 h SER 89 N 0.02 -1.01 0.68 4.18 0.02 -1.85 -2.10 113.55 113.48 1j21 h SER 89 Ca -0.20 0.19 0.00 0.00 -0.84 0.00 0.00 61.79 60.94 1j21 h SER 89 Cb 1.92 0.49 0.00 0.00 0.14 0.00 0.00 62.40 64.95 1j21 h SER 89 CO 0.23 -0.30 0.00 2.30 -1.14 0.00 0.00 176.83 177.91 1j21 n ILE 90 N -5.41 0.42 0.08 3.27 -6.64 -1.05 -3.47 119.36 106.57 1j21 n ILE 90 Ca 0.02 0.11 -0.18 0.00 -1.77 0.00 0.00 62.75 60.92 1j21 n ILE 90 Cb 0.33 -0.73 -0.14 0.00 -1.44 0.00 0.00 39.64 37.66 1j21 n ILE 90 CO 0.00 0.00 0.00 0.00 -1.77 0.00 0.00 176.55 174.78 1j21 h ALA 91 N 2.85 0.17 -0.76 -1.28 0.00 -1.53 -3.37 119.26 115.34 1j21 h ALA 91 Ca 0.00 -1.03 0.07 0.00 0.00 0.00 0.00 54.91 53.95 1j21 h ALA 91 Cb 0.34 0.22 -0.06 0.00 0.00 0.00 0.00 17.79 18.29 1j21 h ALA 91 CO 0.00 1.04 0.44 0.00 0.00 0.00 0.00 179.25 180.73 1j21 h ARG 92 N 0.08 0.75 -0.91 0.00 2.47 -1.57 -2.27 114.38 112.93 1j21 h ARG 92 Ca -0.23 -0.04 0.06 0.00 -1.26 0.00 0.00 59.98 58.51 1j21 h ARG 92 Cb 2.03 -0.17 -0.06 0.00 -1.65 0.00 0.00 29.97 30.12 1j21 h ARG 92 CO 0.19 0.49 0.59 -1.35 0.56 0.00 0.00 179.97 180.45 1j21 h PRO 93 N 0.77 1.01 -0.11 0.04 0.11 -1.76 -1.54 132.00 130.52 1j21 h PRO 93 Ca 0.35 -0.06 0.00 0.00 0.11 0.00 0.00 66.00 66.40 1j21 h PRO 93 Cb 0.26 -0.23 -0.01 0.00 0.11 0.00 0.00 31.00 31.14 1j21 h PRO 93 CO -0.21 0.67 0.07 1.25 -0.21 0.00 0.00 178.00 179.56 1j21 h LEU 94 N 1.04 0.11 0.16 2.35 5.85 -1.60 -1.17 115.31 122.05 1j21 h LEU 94 Ca 0.39 -0.00 -0.01 0.00 0.84 0.00 0.00 57.88 59.10 1j21 h LEU 94 Cb 0.20 -0.02 0.00 0.00 0.37 0.00 0.00 40.66 41.20 1j21 h LEU 94 CO -0.15 0.08 -0.08 0.40 -0.34 0.00 0.00 178.44 178.36 1j21 h ILE 95 N 0.14 0.88 -0.27 4.05 2.04 -1.22 -2.62 117.51 120.51 1j21 h ILE 95 Ca 0.04 -0.15 0.02 0.00 1.00 0.00 0.00 64.86 65.77 1j21 h ILE 95 Cb -0.01 0.97 -0.01 0.00 -0.74 0.00 0.00 36.82 37.03 1j21 h ILE 95 CO -0.02 0.04 0.18 0.00 0.00 0.00 0.00 178.15 178.35 1j21 h ALA 96 N 0.55 1.90 0.16 1.87 0.00 -1.26 -0.79 119.26 121.69 1j21 h ALA 96 Ca -0.02 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.87 1j21 h ALA 96 Cb 0.22 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 17.93 1j21 h ALA 96 CO 0.04 0.07 -0.10 -0.22 0.00 0.00 0.00 179.25 179.04 1j21 h LYS 97 N 0.29 -0.25 -0.43 0.00 3.64 -0.86 -1.96 116.57 117.00 1j21 h LYS 97 Ca 0.11 0.02 -0.11 0.00 -1.27 0.00 0.00 60.65 59.40 1j21 h LYS 97 Cb 0.07 0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 31.94 1j21 h LYS 97 CO -0.02 -0.17 -0.17 0.45 -2.27 0.00 0.00 179.45 177.27 1j21 h HIS 98 N -0.26 0.92 -0.09 1.91 3.86 -1.07 -2.19 115.15 118.23 1j21 h HIS 98 Ca -0.01 -0.19 0.04 0.00 -1.16 0.00 0.00 60.37 59.05 1j21 h HIS 98 Cb 0.22 -0.23 -0.06 0.00 1.06 0.00 0.00 27.41 28.41 1j21 h HIS 98 CO -0.09 0.92 -0.29 -0.07 0.86 0.00 0.00 177.93 179.27 1j21 h LEU 99 N 0.73 -0.89 -0.54 2.43 3.38 -0.95 0.20 115.31 119.68 1j21 h LEU 99 Ca 0.11 0.13 0.00 0.00 0.09 0.00 0.00 57.88 58.21 1j21 h LEU 99 Cb 0.68 0.37 -0.03 0.00 0.09 0.00 0.00 40.66 41.78 1j21 h LEU 99 CO 0.05 -0.34 0.34 0.58 0.09 0.00 0.00 178.44 179.16 1j21 h VAL 100 N -0.39 1.15 -0.24 1.22 2.07 -1.29 -0.20 116.25 118.57 1j21 h VAL 100 Ca 0.09 -0.31 0.02 0.00 0.82 0.00 0.00 66.70 67.31 1j21 h VAL 100 Cb 0.52 0.39 -0.02 0.00 -1.52 0.00 0.00 31.29 30.66 1j21 h VAL 100 CO -0.31 0.15 0.12 -0.09 0.02 0.00 0.00 177.57 177.46 1j21 h ARG 101 N 0.72 0.25 -0.57 1.57 2.43 -0.80 -1.12 114.38 116.86 1j21 h ARG 101 Ca 0.19 -0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 59.34 1j21 h ARG 101 Cb -0.05 -0.06 -0.03 0.00 -0.42 0.00 0.00 29.97 29.42 1j21 h ARG 101 CO -0.04 0.16 0.32 0.82 -1.51 0.00 0.00 179.97 179.72 1j21 h ILE 102 N 0.25 1.18 -0.99 1.20 2.04 -0.37 -1.10 117.51 119.72 1j21 h ILE 102 Ca 0.10 -0.45 0.09 0.00 1.00 0.00 0.00 64.86 65.59 1j21 h ILE 102 Cb 0.03 0.45 -0.07 0.00 -0.74 0.00 0.00 36.82 36.48 1j21 h ILE 102 CO -0.07 0.20 0.64 0.00 0.00 0.00 0.00 178.15 178.91 1j21 h ALA 103 N 1.15 1.47 -0.09 1.87 0.00 -0.59 0.42 119.26 123.49 1j21 h ALA 103 Ca 0.20 -0.01 -0.14 0.00 0.00 0.00 0.00 54.91 54.97 1j21 h ALA 103 Cb 0.03 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.55 1j21 h ALA 103 CO -0.03 0.34 -0.54 0.93 0.00 0.00 0.00 179.25 179.94 1j21 h GLU 104 N 1.08 0.26 -0.10 0.00 5.08 -0.54 0.44 114.58 120.81 1j21 h GLU 104 Ca 0.45 -0.16 -0.22 0.00 -1.00 0.00 0.00 59.36 58.43 1j21 h GLU 104 Cb 0.31 0.02 0.01 0.00 0.50 0.00 0.00 28.75 29.59 1j21 h GLU 104 CO -0.21 0.74 -0.82 0.93 -1.00 0.00 0.00 179.01 178.65 1j21 h GLU 105 N 0.20 0.64 -0.14 2.33 5.08 0.21 -3.11 114.58 119.80 1j21 h GLU 105 Ca 0.00 -0.56 0.00 0.00 -1.00 0.00 0.00 59.36 57.80 1j21 h GLU 105 Cb 1.02 0.13 0.00 0.00 0.50 0.00 0.00 28.75 30.40 1j21 h GLU 105 CO 0.09 1.18 0.00 0.39 -1.00 0.00 0.00 179.01 179.66 1j21 n GLU 106 N -3.88 1.77 -2.27 2.33 -0.58 0.13 -4.92 120.64 113.21 1j21 n GLU 106 Ca -0.07 -1.14 -0.18 0.00 -0.42 0.00 0.00 57.16 55.34 1j21 n GLU 106 Cb 0.77 -1.42 -0.01 0.00 -0.57 0.00 0.00 31.44 30.20 1j21 n GLU 106 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1j21 n GLY 107 N 1.17 -0.18 3.74 0.62 0.00 -0.13 -4.96 105.19 105.44 1j21 n GLY 107 Ca 0.17 -0.12 -0.40 0.00 0.00 0.00 0.00 46.02 45.66 1j21 n GLY 107 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1j21 s ALA 108 N -2.89 3.33 -0.09 4.61 0.00 0.14 -4.86 121.76 122.01 1j21 s ALA 108 Ca 0.00 0.44 0.17 0.00 0.00 0.00 0.00 51.96 52.56 1j21 s ALA 108 Cb 0.00 -3.11 0.25 0.00 0.00 0.00 0.00 23.12 20.25 1j21 s ALA 108 CO 0.00 0.08 1.53 1.49 0.00 0.00 0.00 175.76 178.86 1j21 h GLU 109 N 5.27 0.00 -4.38 0.00 4.81 -1.84 -3.42 114.58 115.02 1j21 h GLU 109 Ca -0.44 0.00 -0.18 0.00 -0.13 0.00 0.00 59.36 58.60 1j21 h GLU 109 Cb 1.21 0.00 -0.15 0.00 0.63 0.00 0.00 28.75 30.44 1j21 h GLU 109 CO 0.70 0.45 -0.59 0.00 -0.73 0.00 0.00 179.01 178.84 1j21 s ALA 110 N -3.13 0.81 0.19 2.92 0.00 -1.19 -2.60 121.76 118.76 1j21 s ALA 110 Ca 0.03 -1.44 0.03 0.00 0.00 0.00 0.00 51.96 50.58 1j21 s ALA 110 Cb 0.08 0.99 -0.05 0.00 0.00 0.00 0.00 23.12 24.14 1j21 s ALA 110 CO 0.72 -0.54 -0.02 0.96 0.00 0.00 0.00 175.76 176.89 1j21 s ILE 111 N -4.06 0.90 0.05 0.00 -4.36 -0.51 -1.47 121.20 111.74 1j21 s ILE 111 Ca 0.27 -2.01 -0.09 0.00 -0.26 0.00 0.00 60.65 58.56 1j21 s ILE 111 Cb 0.07 -2.15 0.00 0.00 1.25 0.00 0.00 42.46 41.63 1j21 s ILE 111 CO 0.04 -0.48 0.18 0.00 0.24 0.00 0.00 174.94 174.92 1j21 s ALA 112 N -3.51 -0.29 0.10 2.27 0.00 0.36 -1.03 121.76 119.66 1j21 s ALA 112 Ca 0.24 -0.37 -0.07 0.00 0.00 0.00 0.00 51.96 51.76 1j21 s ALA 112 Cb 0.05 0.30 -0.01 0.00 0.00 0.00 0.00 23.12 23.46 1j21 s ALA 112 CO 0.05 -0.37 0.16 -3.38 0.00 0.00 0.00 175.76 172.21 1j21 s HIS 113 N -2.75 0.31 -0.33 0.00 -3.43 -1.19 -1.39 115.29 106.51 1j21 s HIS 113 Ca -0.04 -0.75 0.08 0.00 -0.80 0.00 0.00 55.06 53.56 1j21 s HIS 113 Cb -0.00 -0.15 0.58 0.00 -1.43 0.00 0.00 32.58 31.58 1j21 s HIS 113 CO -0.05 -0.55 1.63 0.41 -2.00 0.00 0.00 174.74 174.18 1j21 n GLY 114 N -0.06 4.61 3.78 -1.38 0.00 -1.26 -4.18 105.19 106.70 1j21 n GLY 114 Ca -0.13 -1.15 -0.37 0.00 0.00 0.00 0.00 46.02 44.37 1j21 n GLY 114 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1j21 s ALA 115 N -3.21 3.08 0.92 4.61 0.00 -1.26 -4.92 121.76 120.98 1j21 s ALA 115 Ca 0.49 0.72 -0.13 0.00 0.00 0.00 0.00 51.96 53.04 1j21 s ALA 115 Cb 0.43 -3.28 0.15 0.00 0.00 0.00 0.00 23.12 20.41 1j21 s ALA 115 CO 0.05 -0.25 1.18 0.95 0.00 0.00 0.00 175.76 177.69 1j21 s THR 116 N -1.64 1.96 -2.17 0.00 -4.23 -1.26 -4.62 115.64 103.69 1j21 s THR 116 Ca 0.58 0.00 0.28 0.00 -1.18 0.00 0.00 61.69 61.37 1j21 s THR 116 Cb -0.23 -2.83 0.72 0.00 1.34 0.00 0.00 72.50 71.50 1j21 s THR 116 CO 0.28 0.00 1.97 0.61 -0.54 0.00 0.00 174.62 176.94 1j21 n GLY 117 N -2.65 -0.61 0.00 3.99 0.00 -1.26 -3.62 105.19 101.04 1j21 n GLY 117 Ca 0.09 -0.28 0.07 0.00 0.00 0.00 0.00 46.02 45.90 1j21 n GLY 117 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1j21 n LYS 118 N -0.53 1.67 -1.87 1.61 5.02 -1.26 -5.05 118.16 117.75 1j21 n LYS 118 Ca 0.21 -0.04 -0.10 0.00 -2.02 0.00 0.00 58.31 56.35 1j21 n LYS 118 Cb 0.19 -1.24 0.04 0.00 -0.02 0.00 0.00 35.03 34.00 1j21 n LYS 118 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1j21 n GLY 119 N 1.43 1.51 0.10 0.72 0.00 -1.24 -4.82 105.19 102.89 1j21 n GLY 119 Ca 0.01 -2.11 -0.14 0.00 0.00 0.00 0.00 46.02 43.78 1j21 n GLY 119 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 1j21 h ASN 120 N -0.07 0.26 -0.80 1.61 2.35 -1.95 -3.39 115.58 113.59 1j21 h ASN 120 Ca -0.15 -0.39 0.13 0.00 -0.55 0.00 0.00 56.30 55.33 1j21 h ASN 120 Cb 0.63 -0.08 -0.09 0.00 0.05 0.00 0.00 38.32 38.83 1j21 h ASN 120 CO 0.19 1.33 0.40 0.44 -1.65 0.00 0.00 177.43 178.14 1j21 h ASP 121 N 0.05 0.48 -0.94 5.81 3.32 -1.93 -1.08 116.42 122.14 1j21 h ASP 121 Ca -0.24 0.08 0.10 0.00 0.02 0.00 0.00 57.03 56.99 1j21 h ASP 121 Cb 1.99 0.01 -0.08 0.00 0.22 0.00 0.00 39.33 41.47 1j21 h ASP 121 CO 0.13 0.23 0.58 0.06 -1.72 0.00 0.00 179.24 178.52 1j21 h GLN 122 N 0.60 0.93 -0.37 3.56 3.07 -1.79 0.33 115.11 121.45 1j21 h GLN 122 Ca 0.42 -0.06 -0.03 0.00 0.09 0.00 0.00 58.65 59.07 1j21 h GLN 122 Cb 0.55 -0.21 -0.02 0.00 0.08 0.00 0.00 27.48 27.88 1j21 h GLN 122 CO -0.33 0.62 0.11 0.28 0.09 0.00 0.00 178.83 179.59 1j21 h VAL 123 N 0.96 1.22 -0.29 1.86 2.07 -1.44 -1.26 116.25 119.36 1j21 h VAL 123 Ca 0.44 -0.71 0.00 0.00 0.82 0.00 0.00 66.70 67.25 1j21 h VAL 123 Cb 0.37 0.99 -0.01 0.00 -1.52 0.00 0.00 31.29 31.11 1j21 h VAL 123 CO -0.24 0.25 0.19 0.03 0.02 0.00 0.00 177.57 177.82 1j21 h ARG 124 N 0.44 0.39 0.20 1.57 3.08 -0.79 0.18 114.38 119.45 1j21 h ARG 124 Ca 0.12 -0.03 -0.01 0.00 0.07 0.00 0.00 59.98 60.13 1j21 h ARG 124 Cb 0.27 -0.09 0.00 0.00 0.08 0.00 0.00 29.97 30.23 1j21 h ARG 124 CO -0.00 0.27 -0.10 0.74 -1.07 0.00 0.00 179.97 179.81 1j21 h PHE 125 N 0.39 -0.25 -0.39 3.04 0.05 -0.89 -2.69 116.94 116.21 1j21 h PHE 125 Ca 0.11 -0.01 -0.16 0.00 3.82 0.00 0.00 57.97 61.73 1j21 h PHE 125 Cb -0.03 0.08 -0.01 0.00 2.00 0.00 0.00 35.95 37.99 1j21 h PHE 125 CO -0.05 -0.11 -0.38 0.93 -0.18 0.00 0.00 178.31 178.52 1j21 h GLU 126 N -0.33 0.93 -0.80 1.51 5.08 -1.06 -1.19 114.58 118.72 1j21 h GLU 126 Ca -0.03 -0.49 -0.03 0.00 -1.00 0.00 0.00 59.36 57.82 1j21 h GLU 126 Cb 0.25 0.02 -0.04 0.00 0.50 0.00 0.00 28.75 29.48 1j21 h GLU 126 CO 0.04 1.14 0.39 -0.07 -1.00 0.00 0.00 179.01 179.52 1j21 h LEU 127 N 0.76 1.04 0.25 1.33 3.38 -0.72 0.10 115.31 121.46 1j21 h LEU 127 Ca 0.06 -0.13 -0.01 0.00 0.09 0.00 0.00 57.88 57.89 1j21 h LEU 127 Cb 0.97 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 41.46 1j21 h LEU 127 CO 0.09 0.88 -0.12 0.74 0.09 0.00 0.00 178.44 180.12 1j21 h THR 128 N 1.13 0.77 -0.11 0.22 2.02 -1.34 -0.53 112.91 115.08 1j21 h THR 128 Ca 0.28 -0.14 0.04 0.00 0.77 0.00 0.00 66.41 67.35 1j21 h THR 128 Cb 0.11 0.86 -0.04 0.00 -1.74 0.00 0.00 68.15 67.33 1j21 h THR 128 CO -0.04 0.03 -0.14 0.00 0.37 0.00 0.00 175.52 175.74 1j21 h ALA 129 N 0.32 -0.08 -0.50 6.16 0.00 -0.93 -0.99 119.26 123.25 1j21 h ALA 129 Ca -0.03 0.04 -0.04 0.00 0.00 0.00 0.00 54.91 54.88 1j21 h ALA 129 Cb 0.31 0.29 -0.02 0.00 0.00 0.00 0.00 17.79 18.37 1j21 h ALA 129 CO 0.06 -0.60 0.15 1.88 0.00 0.00 0.00 179.25 180.74 1j21 h TYR 130 N -0.19 0.75 -0.27 0.00 0.99 -0.95 0.20 116.97 117.50 1j21 h TYR 130 Ca 0.09 -0.05 -0.11 0.00 2.00 0.00 0.00 58.73 60.65 1j21 h TYR 130 Cb 0.31 -0.23 -0.01 0.00 1.00 0.00 0.00 36.73 37.80 1j21 h TYR 130 CO -0.25 0.62 -0.30 0.00 -0.00 0.00 0.00 178.16 178.22 1j21 h ALA 131 N 1.45 0.97 0.12 3.88 0.00 -0.61 -2.48 119.26 122.59 1j21 h ALA 131 Ca 0.17 -0.38 -0.31 0.00 0.00 0.00 0.00 54.91 54.38 1j21 h ALA 131 Cb 0.22 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 1j21 h ALA 131 CO -0.01 0.60 -1.55 -0.07 0.00 0.00 0.00 179.25 178.23 1j21 h LEU 132 N 0.48 0.40 -6.40 0.00 3.38 -0.73 -3.42 115.31 109.01 1j21 h LEU 132 Ca 0.06 -0.56 -0.49 0.00 0.09 0.00 0.00 57.88 56.97 1j21 h LEU 132 Cb 0.77 -0.13 -0.35 0.00 0.09 0.00 0.00 40.66 41.03 1j21 h LEU 132 CO 0.06 1.47 -0.81 -0.75 0.09 0.00 0.00 178.44 178.50 1j21 s LYS 133 N -2.61 0.67 0.57 1.13 2.20 0.65 -5.02 119.74 117.33 1j21 s LYS 133 Ca -0.09 -1.32 0.29 0.00 -0.36 0.00 0.00 55.97 54.49 1j21 s LYS 133 Cb 0.07 -1.08 1.47 0.00 -1.51 0.00 0.00 37.83 36.78 1j21 s LYS 133 CO 0.85 -1.25 1.90 -1.00 -0.36 0.00 0.00 175.35 175.49 1j21 h PRO 134 N 6.67 0.00 -0.01 4.03 0.13 -1.64 0.11 132.00 141.30 1j21 h PRO 134 Ca 0.10 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.23 1j21 h PRO 134 Cb 0.99 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.12 1j21 h PRO 134 CO 0.25 0.00 -0.09 -0.25 -0.23 0.00 0.00 178.00 177.68 1j21 n ASP 135 N -3.88 1.03 -4.77 1.44 8.00 -1.26 -4.94 116.55 112.18 1j21 n ASP 135 Ca 0.11 -1.12 -0.40 0.00 0.71 0.00 0.00 54.79 54.09 1j21 n ASP 135 Cb 0.74 0.02 0.01 0.00 -0.02 0.00 0.00 41.12 41.87 1j21 n ASP 135 CO 0.00 0.00 0.00 -0.51 -0.39 0.00 0.00 177.20 176.30 1j21 s ILE 136 N -2.22 2.21 -0.16 0.53 1.10 0.39 -4.99 121.20 118.05 1j21 s ILE 136 Ca 0.34 0.19 -0.11 0.00 -0.51 0.00 0.00 60.65 60.56 1j21 s ILE 136 Cb 0.20 -3.11 -0.05 0.00 0.15 0.00 0.00 42.46 39.66 1j21 s ILE 136 CO 0.41 0.03 0.19 -0.54 -2.11 0.00 0.00 174.94 172.92 1j21 s LYS 137 N -2.38 4.04 -0.05 3.50 3.01 -1.07 -4.98 119.74 121.82 1j21 s LYS 137 Ca 0.59 -0.08 0.06 0.00 -1.01 0.00 0.00 55.97 55.53 1j21 s LYS 137 Cb -0.42 -3.36 -0.02 0.00 -1.01 0.00 0.00 37.83 33.01 1j21 s LYS 137 CO 0.55 0.40 -0.23 0.08 0.51 0.00 0.00 175.35 176.66 1j21 s VAL 138 N 0.03 2.24 -0.18 3.17 1.01 -1.26 -1.43 120.40 123.99 1j21 s VAL 138 Ca 0.13 -1.02 0.00 0.00 0.00 0.00 0.00 61.98 61.09 1j21 s VAL 138 Cb -0.12 -1.81 0.04 0.00 0.00 0.00 0.00 36.38 34.48 1j21 s VAL 138 CO 0.02 0.57 -0.11 -0.63 0.00 0.00 0.00 175.10 174.95 1j21 s ILE 139 N -0.39 1.54 -0.58 2.22 1.01 -0.20 -4.96 121.20 119.84 1j21 s ILE 139 Ca 0.03 -0.82 -0.01 0.00 0.00 0.00 0.00 60.65 59.86 1j21 s ILE 139 Cb -0.12 -1.57 0.15 0.00 0.01 0.00 0.00 42.46 40.93 1j21 s ILE 139 CO 0.02 0.27 0.38 0.00 0.00 0.00 0.00 174.94 175.60 1j21 s ALA 140 N 1.46 3.48 0.36 9.38 0.00 -1.26 -3.20 121.76 131.98 1j21 s ALA 140 Ca 0.01 -3.22 0.16 0.00 0.00 0.00 0.00 51.96 48.91 1j21 s ALA 140 Cb -0.15 -2.51 1.08 0.00 0.00 0.00 0.00 23.12 21.55 1j21 s ALA 140 CO -0.09 -2.06 1.70 -1.35 0.00 0.00 0.00 175.76 173.96 1j21 h PRO 141 N 6.94 0.37 0.00 0.00 0.11 -1.91 0.67 132.00 138.17 1j21 h PRO 141 Ca -0.04 -0.02 -0.00 0.00 0.11 0.00 0.00 66.00 66.05 1j21 h PRO 141 Cb 0.94 -0.08 -0.00 0.00 0.11 0.00 0.00 31.00 31.97 1j21 h PRO 141 CO 0.70 0.24 -0.01 -1.49 -0.21 0.00 0.00 178.00 177.24 1j21 h TRP 142 N 0.38 0.00 -0.00 0.65 4.06 -1.85 0.15 115.95 119.33 1j21 h TRP 142 Ca 0.69 0.00 0.00 0.00 2.06 0.00 0.00 58.89 61.64 1j21 h TRP 142 Cb 1.63 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 29.79 1j21 h TRP 142 CO -0.01 0.01 -0.81 0.54 -3.56 0.00 0.00 178.44 174.62 1j21 n ARG 143 N -3.27 0.73 -0.04 0.49 1.74 0.20 -4.59 116.66 111.91 1j21 n ARG 143 Ca -0.03 -0.23 -0.03 0.00 -0.77 0.00 0.00 57.85 56.79 1j21 n ARG 143 Cb 0.11 -1.42 -0.08 0.00 -1.02 0.00 0.00 32.46 30.04 1j21 n ARG 143 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 1j21 n GLU 144 N -1.12 1.95 -2.20 5.56 1.02 -0.20 -5.06 120.64 120.59 1j21 n GLU 144 Ca 0.05 -0.02 -0.28 0.00 -0.02 0.00 0.00 57.16 56.88 1j21 n GLU 144 Cb 0.34 -1.27 0.03 0.00 -0.02 0.00 0.00 31.44 30.52 1j21 n GLU 144 CO 0.00 0.00 0.00 1.67 1.18 0.00 0.00 177.13 179.98 1j21 s TRP 145 N -2.34 3.34 -0.83 -0.32 -2.14 0.34 -5.01 118.94 111.97 1j21 s TRP 145 Ca -0.05 0.85 0.25 0.00 2.66 0.00 0.00 56.10 59.81 1j21 s TRP 145 Cb 0.04 -2.81 0.49 0.00 -3.10 0.00 0.00 33.47 28.10 1j21 s TRP 145 CO 0.44 -0.88 1.42 -1.13 -2.66 0.00 0.00 176.95 174.14 1j21 n SER 146 N -2.71 0.55 -4.58 -2.66 3.41 -1.26 -4.96 113.62 101.41 1j21 n SER 146 Ca 0.05 -0.01 -0.54 0.00 -0.26 0.00 0.00 58.87 58.12 1j21 n SER 146 Cb 0.57 0.14 -0.06 0.00 -0.26 0.00 0.00 64.21 64.59 1j21 n SER 146 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 1j21 n PHE 147 N -1.79 1.39 -4.19 7.33 0.99 -1.26 -4.97 117.46 114.95 1j21 n PHE 147 Ca 0.05 0.71 -0.29 0.00 -0.00 0.00 0.00 57.45 57.91 1j21 n PHE 147 Cb 0.38 -2.30 -0.17 0.00 -1.00 0.00 0.00 39.48 36.40 1j21 n PHE 147 CO 0.00 0.00 0.00 -0.65 -0.00 0.00 0.00 176.76 176.11 1j21 s GLN 148 N 0.57 2.22 0.01 -1.08 -0.21 -1.26 -5.06 119.66 114.86 1j21 s GLN 148 Ca 0.86 -0.54 0.00 0.00 0.02 0.00 0.00 55.36 55.70 1j21 s GLN 148 Cb -1.02 -1.99 0.00 0.00 1.00 0.00 0.00 33.01 31.00 1j21 s GLN 148 CO 0.50 -0.17 0.00 0.41 -2.12 0.00 0.00 175.29 173.91 1j21 n GLY 149 N 4.55 -2.18 0.05 3.09 0.00 -1.26 -4.25 105.19 105.19 1j21 n GLY 149 Ca -0.17 -1.47 0.11 0.00 0.00 0.00 0.00 46.02 44.48 1j21 n GLY 149 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1j21 n ARG 150 N -2.38 0.58 -0.11 1.61 0.63 -1.26 -3.40 116.66 112.34 1j21 n ARG 150 Ca -0.00 -0.06 -0.05 0.00 -0.92 0.00 0.00 57.85 56.82 1j21 n ARG 150 Cb 0.01 -1.64 0.02 0.00 0.45 0.00 0.00 32.46 31.31 1j21 n ARG 150 CO 0.00 0.00 0.00 0.87 -2.51 0.00 0.00 177.63 175.99 1j21 h LYS 151 N 0.00 0.14 0.56 -0.14 6.56 -2.00 0.58 116.57 122.27 1j21 h LYS 151 Ca 0.00 -0.01 -0.02 0.00 -1.06 0.00 0.00 60.65 59.56 1j21 h LYS 151 Cb 0.96 -0.03 -0.00 0.00 -0.57 0.00 0.00 32.23 32.58 1j21 h LYS 151 CO 0.00 0.09 -0.34 0.93 -2.06 0.00 0.00 179.45 178.08 1j21 h GLU 152 N 0.14 -0.82 -1.00 3.15 5.08 -1.74 -2.32 114.58 117.07 1j21 h GLU 152 Ca 0.18 0.06 0.15 0.00 -1.00 0.00 0.00 59.36 58.74 1j21 h GLU 152 Cb 0.24 0.19 -0.09 0.00 0.50 0.00 0.00 28.75 29.58 1j21 h GLU 152 CO -0.27 -0.54 0.62 0.52 -1.00 0.00 0.00 179.01 178.33 1j21 h MET 153 N -0.85 0.88 -0.79 2.33 2.86 -1.40 0.98 114.93 118.94 1j21 h MET 153 Ca -0.07 -0.05 0.00 0.00 -2.06 0.00 0.00 59.70 57.52 1j21 h MET 153 Cb 0.69 -0.20 -0.04 0.00 0.06 0.00 0.00 31.60 32.11 1j21 h MET 153 CO 0.07 0.58 0.50 0.82 1.06 0.00 0.00 176.91 179.95 1j21 h ILE 154 N 0.91 1.21 0.50 -1.22 2.04 0.37 -1.83 117.51 119.48 1j21 h ILE 154 Ca 0.53 -0.43 -0.02 0.00 1.00 0.00 0.00 64.86 65.94 1j21 h ILE 154 Cb 0.64 0.08 -0.02 0.00 -0.74 0.00 0.00 36.82 36.78 1j21 h ILE 154 CO -0.31 0.22 -0.46 0.00 0.00 0.00 0.00 178.15 177.60 1j21 h ALA 155 N 1.27 -1.14 -0.79 1.87 0.00 -0.28 0.33 119.26 120.52 1j21 h ALA 155 Ca 0.29 -0.18 0.19 0.00 0.00 0.00 0.00 54.91 55.20 1j21 h ALA 155 Cb -0.08 0.68 -0.13 0.00 0.00 0.00 0.00 17.79 18.26 1j21 h ALA 155 CO -0.06 -1.16 0.10 -0.92 0.00 0.00 0.00 179.25 177.22 1j21 h TYR 156 N -0.95 0.12 0.93 0.00 3.20 -1.14 0.43 116.97 119.57 1j21 h TYR 156 Ca -0.06 0.05 -0.05 0.00 3.14 0.00 0.00 58.73 61.81 1j21 h TYR 156 Cb 0.81 0.07 0.01 0.00 1.54 0.00 0.00 36.73 39.16 1j21 h TYR 156 CO -0.22 -0.20 -0.45 0.00 -1.64 0.00 0.00 178.16 175.65 1j21 h ALA 157 N 1.71 -1.31 -0.80 1.82 0.00 -0.82 -2.19 119.26 117.67 1j21 h ALA 157 Ca 0.45 -0.27 0.19 0.00 0.00 0.00 0.00 54.91 55.28 1j21 h ALA 157 Cb 0.83 0.48 -0.14 0.00 0.00 0.00 0.00 17.79 18.97 1j21 h ALA 157 CO -0.63 -1.22 0.07 0.93 0.00 0.00 0.00 179.25 178.39 1j21 h GLU 158 N -1.27 0.13 0.00 0.00 5.08 0.02 0.79 114.58 119.33 1j21 h GLU 158 Ca -0.13 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.22 1j21 h GLU 158 Cb 0.96 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 30.18 1j21 h GLU 158 CO 0.21 0.09 0.00 0.00 -1.00 0.00 0.00 179.01 178.30 1j21 n ALA 159 N -2.89 0.00 0.00 3.43 0.00 0.14 -0.50 120.51 120.70 1j21 n ALA 159 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.60 1j21 n ALA 159 Cb 0.54 0.07 0.00 0.00 0.00 0.00 0.00 19.45 20.06 1j21 n ALA 159 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1j21 n HIS 160 N -0.32 0.00 -1.96 0.00 8.25 -0.87 -4.78 115.22 115.53 1j21 n HIS 160 Ca 0.00 0.00 -0.02 0.00 -0.26 0.00 0.00 57.72 57.44 1j21 n HIS 160 Cb 0.00 -0.10 -0.02 0.00 1.12 0.00 0.00 29.99 30.99 1j21 n HIS 160 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1j21 n GLY 161 N -0.96 -3.88 3.40 -1.41 0.00 0.34 -5.08 105.19 97.61 1j21 n GLY 161 Ca 0.00 0.49 -0.04 0.00 0.00 0.00 0.00 46.02 46.47 1j21 n GLY 161 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1j21 s ILE 162 N -0.33 -0.85 0.33 -0.61 1.01 -1.02 -4.95 121.20 114.77 1j21 s ILE 162 Ca -0.11 0.05 -0.19 0.00 0.00 0.00 0.00 60.65 60.40 1j21 s ILE 162 Cb 0.01 -0.87 -0.14 0.00 0.01 0.00 0.00 42.46 41.47 1j21 s ILE 162 CO 0.34 0.01 0.12 -2.65 0.00 0.00 0.00 174.94 172.76 1j21 n PRO 163 N 5.42 0.00 -3.95 2.79 -0.02 -1.26 -4.27 135.00 133.70 1j21 n PRO 163 Ca -0.09 0.00 -0.10 0.00 -2.02 0.00 0.00 63.50 61.29 1j21 n PRO 163 Cb 0.49 -0.86 -0.12 0.00 -0.02 0.00 0.00 33.50 32.99 1j21 n PRO 163 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 1j21 s VAL 164 N -1.38 0.09 0.00 -1.45 -7.23 -1.26 -4.94 120.40 104.23 1j21 s VAL 164 Ca 0.52 -0.66 0.00 0.00 -1.81 0.00 0.00 61.98 60.03 1j21 s VAL 164 Cb -0.58 -0.20 0.00 0.00 0.56 0.00 0.00 36.38 36.16 1j21 s VAL 164 CO 0.54 -0.35 0.00 -2.65 -0.31 0.00 0.00 175.10 172.32 1j21 n PRO 165 N 2.02 1.31 0.00 4.82 -0.02 -1.26 -5.18 135.00 136.69 1j21 n PRO 165 Ca -0.21 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.27 1j21 n PRO 165 Cb 0.56 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 34.04 1j21 n PRO 165 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 1j21 n PRO 171 N 0.00 0.00 -3.63 0.52 -0.04 -1.26 -5.31 135.00 125.27 1j21 n PRO 171 Ca 0.00 0.00 -0.02 0.00 -0.04 0.00 0.00 63.50 63.44 1j21 n PRO 171 Cb 0.00 0.00 -0.02 0.00 -0.04 0.00 0.00 33.50 33.44 1j21 n PRO 171 CO 0.00 0.00 0.00 1.52 -0.04 0.00 0.00 175.50 176.98 1j21 s TYR 172 N 0.00 -0.02 0.16 0.54 -0.85 -1.26 -1.22 117.35 114.70 1j21 s TYR 172 Ca 0.00 0.01 -0.05 0.00 -0.52 0.00 0.00 57.07 56.52 1j21 s TYR 172 Cb 0.00 0.50 -0.06 0.00 0.38 0.00 0.00 41.96 42.79 1j21 s TYR 172 CO 0.00 -0.04 0.40 0.45 -1.52 0.00 0.00 175.55 174.84 1j21 s SER 173 N -2.11 6.49 0.02 -0.18 0.15 0.83 -4.93 113.70 113.97 1j21 s SER 173 Ca 0.12 0.60 0.02 0.00 0.70 0.00 0.00 55.95 57.39 1j21 s SER 173 Cb -0.00 -2.10 -0.02 0.00 -1.71 0.00 0.00 66.02 62.20 1j21 s SER 173 CO -0.03 0.02 -0.07 -0.04 1.20 0.00 0.00 173.24 174.32 1j21 s MET 174 N -2.79 0.51 -0.04 5.44 -1.94 -1.26 -1.97 119.30 117.25 1j21 s MET 174 Ca 0.41 -0.52 -0.01 0.00 -1.71 0.00 0.00 55.69 53.86 1j21 s MET 174 Cb -0.12 -0.37 0.03 0.00 2.01 0.00 0.00 34.83 36.38 1j21 s MET 174 CO 0.25 0.08 0.05 0.34 -0.01 0.00 0.00 175.02 175.73 1j21 s ASP 175 N -0.96 0.87 0.02 3.03 3.68 -0.79 -4.96 116.67 117.56 1j21 s ASP 175 Ca -0.04 0.06 0.05 0.00 2.13 0.00 0.00 52.55 54.74 1j21 s ASP 175 Cb -0.07 -0.14 -0.02 0.00 -1.45 0.00 0.00 42.92 41.25 1j21 s ASP 175 CO 0.00 -0.21 -0.14 0.00 0.13 0.00 0.00 175.17 174.94 1j21 s ALA 176 N 1.85 1.21 0.33 3.66 0.00 -1.26 -0.05 121.76 127.50 1j21 s ALA 176 Ca 0.01 -0.75 -0.11 0.00 0.00 0.00 0.00 51.96 51.11 1j21 s ALA 176 Cb -0.12 -0.24 0.04 0.00 0.00 0.00 0.00 23.12 22.80 1j21 s ALA 176 CO -0.03 0.26 0.64 0.27 0.00 0.00 0.00 175.76 176.90 1j21 n ASN 177 N 2.23 -1.85 0.12 0.00 0.23 -0.47 -3.83 115.26 111.68 1j21 n ASN 177 Ca -0.16 -2.39 0.19 0.00 -0.53 0.00 0.00 54.58 51.68 1j21 n ASN 177 Cb 0.55 3.12 0.76 0.00 -2.08 0.00 0.00 39.78 42.13 1j21 n ASN 177 CO 0.00 0.00 0.00 -0.07 -0.93 0.00 0.00 177.26 176.26 1j21 h LEU 178 N 0.00 0.00 0.08 -4.53 3.38 -1.07 -2.80 115.31 110.37 1j21 h LEU 178 Ca -0.28 0.00 -0.32 0.00 0.09 0.00 0.00 57.88 57.37 1j21 h LEU 178 Cb 1.05 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.77 1j21 h LEU 178 CO 0.36 0.00 -1.77 0.25 0.09 0.00 0.00 178.44 177.36 1j21 h LEU 179 N 0.00 0.27 0.00 1.67 6.46 -1.90 -3.45 115.31 118.36 1j21 h LEU 179 Ca 0.16 -0.53 0.11 0.00 -0.12 0.00 0.00 57.88 57.50 1j21 h LEU 179 Cb 0.82 -0.09 -0.02 0.00 -0.73 0.00 0.00 40.66 40.64 1j21 h LEU 179 CO -0.00 1.47 0.42 0.00 -0.62 0.00 0.00 178.44 179.70 1j21 n HIS 180 N -3.33 -1.15 -4.24 1.25 1.44 -1.06 -4.56 115.22 103.57 1j21 n HIS 180 Ca -0.23 -0.92 -0.21 0.00 -2.01 0.00 0.00 57.72 54.36 1j21 n HIS 180 Cb 1.05 0.45 -0.16 0.00 0.12 0.00 0.00 29.99 31.44 1j21 n HIS 180 CO 0.00 0.00 0.00 0.42 -2.81 0.00 0.00 176.34 173.95 1j21 s ILE 181 N -2.21 0.66 -0.10 0.61 1.01 -0.98 -1.36 121.20 118.83 1j21 s ILE 181 Ca 0.16 -0.19 -0.02 0.00 0.00 0.00 0.00 60.65 60.60 1j21 s ILE 181 Cb -0.02 -0.66 -0.03 0.00 0.01 0.00 0.00 42.46 41.75 1j21 s ILE 181 CO 0.04 0.25 0.00 -0.55 0.00 0.00 0.00 174.94 174.69 1j21 s SER 182 N 0.90 5.23 -0.07 3.58 0.15 0.93 -2.40 113.70 122.02 1j21 s SER 182 Ca -0.11 0.12 0.01 0.00 0.70 0.00 0.00 55.95 56.67 1j21 s SER 182 Cb -0.15 -1.54 0.02 0.00 -1.71 0.00 0.00 66.02 62.65 1j21 s SER 182 CO 0.01 0.35 -0.09 -0.31 1.20 0.00 0.00 173.24 174.39 1j21 s TYR 183 N -0.70 1.25 0.09 3.44 1.51 -0.04 -1.89 117.35 121.00 1j21 s TYR 183 Ca 0.11 -0.47 -0.25 0.00 -1.01 0.00 0.00 57.07 55.45 1j21 s TYR 183 Cb -0.12 -0.98 0.08 0.00 -0.11 0.00 0.00 41.96 40.83 1j21 s TYR 183 CO 0.02 -0.30 0.70 -1.83 -1.11 0.00 0.00 175.55 173.04 1j21 s GLU 184 N 0.95 1.11 0.08 -0.62 -1.05 -0.83 -0.99 118.70 117.34 1j21 s GLU 184 Ca -0.10 -0.36 0.00 0.00 -0.15 0.00 0.00 54.97 54.36 1j21 s GLU 184 Cb -0.15 0.51 0.00 0.00 -0.44 0.00 0.00 34.13 34.05 1j21 s GLU 184 CO 0.00 -0.48 0.00 0.41 0.95 0.00 0.00 175.26 176.15 1j21 n GLY 185 N -0.23 -3.24 7.00 -3.83 0.00 -1.26 -0.12 105.19 103.50 1j21 n GLY 185 Ca -0.14 -1.88 0.00 0.00 0.00 0.00 0.00 46.02 44.00 1j21 n GLY 185 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1j21 n GLY 186 N -0.32 3.21 0.16 -0.02 0.00 -1.26 -0.14 105.19 106.83 1j21 n GLY 186 Ca 0.00 0.06 0.12 0.00 0.00 0.00 0.00 46.02 46.21 1j21 n GLY 186 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 1j21 h VAL 187 N 0.00 0.00 0.00 1.61 -1.51 -1.55 -2.49 116.25 112.31 1j21 h VAL 187 Ca 0.00 -0.11 0.00 0.00 -1.23 0.00 0.00 66.70 65.36 1j21 h VAL 187 Cb 0.00 0.73 0.00 0.00 -2.13 0.00 0.00 31.29 29.89 1j21 h VAL 187 CO 0.00 0.00 -0.18 -0.07 -1.23 0.00 0.00 177.57 176.09 1j21 h LEU 188 N 0.00 0.00 -2.21 4.19 4.07 -0.74 -3.35 115.31 117.26 1j21 h LEU 188 Ca 0.00 -0.06 -0.00 0.00 0.08 0.00 0.00 57.88 57.90 1j21 h LEU 188 Cb 0.16 0.00 -0.00 0.00 1.08 0.00 0.00 40.66 41.90 1j21 h LEU 188 CO 0.00 0.03 -0.02 -0.33 -1.08 0.00 0.00 178.44 177.04 1j21 h GLU 189 N 0.00 0.00 -5.86 1.13 5.08 -1.49 -3.40 114.58 110.05 1j21 h GLU 189 Ca 0.00 0.00 -0.62 0.00 -1.00 0.00 0.00 59.36 57.74 1j21 h GLU 189 Cb 0.76 0.00 -0.12 0.00 0.50 0.00 0.00 28.75 29.89 1j21 h GLU 189 CO 0.00 0.02 0.44 0.34 -1.00 0.00 0.00 179.01 178.81 1j21 s ASP 190 N -5.55 6.41 0.58 1.42 3.68 -1.26 -4.87 116.67 117.08 1j21 s ASP 190 Ca -0.02 -0.13 0.31 0.00 2.13 0.00 0.00 52.55 54.84 1j21 s ASP 190 Cb 0.11 -2.41 1.71 0.00 -1.45 0.00 0.00 42.92 40.88 1j21 s ASP 190 CO 0.49 -1.01 1.95 -0.65 0.13 0.00 0.00 175.17 176.09 1j21 h PRO 191 N 9.07 0.00 -0.00 4.34 0.11 -1.94 -0.65 132.00 142.92 1j21 h PRO 191 Ca -0.25 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.86 1j21 h PRO 191 Cb 1.08 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.19 1j21 h PRO 191 CO 1.00 0.00 -0.69 1.87 -0.21 0.00 0.00 178.00 179.97 1j21 n TRP 192 N -2.76 0.00 -3.16 0.65 -0.00 -1.26 -4.88 117.44 106.03 1j21 n TRP 192 Ca -0.02 0.00 -0.40 0.00 -0.00 0.00 0.00 57.50 57.08 1j21 n TRP 192 Cb 0.23 -0.13 -0.07 0.00 -0.00 0.00 0.00 31.31 31.35 1j21 n TRP 192 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 177.69 177.69 1j21 s ALA 193 N -2.95 3.60 0.52 5.87 0.00 -0.25 -5.05 121.76 123.50 1j21 s ALA 193 Ca 0.11 -0.46 -0.22 0.00 0.00 0.00 0.00 51.96 51.38 1j21 s ALA 193 Cb 0.17 -2.97 -0.06 0.00 0.00 0.00 0.00 23.12 20.26 1j21 s ALA 193 CO 0.76 -0.74 1.31 -2.00 0.00 0.00 0.00 175.76 175.08 1j21 s GLU 194 N 2.33 3.31 0.84 0.00 2.12 -1.26 -4.91 118.70 121.13 1j21 s GLU 194 Ca 0.25 2.11 -0.12 0.00 0.36 0.00 0.00 54.97 57.57 1j21 s GLU 194 Cb -0.16 -2.30 0.10 0.00 0.26 0.00 0.00 34.13 32.03 1j21 s GLU 194 CO 0.09 -1.02 1.19 -2.14 -0.54 0.00 0.00 175.26 172.84 1j21 s PRO 195 N -2.85 1.46 0.26 4.30 0.02 -1.26 -4.94 135.00 131.99 1j21 s PRO 195 Ca 0.69 1.69 -0.30 0.00 0.02 0.00 0.00 61.00 63.10 1j21 s PRO 195 Cb -0.37 -1.76 -0.09 0.00 0.02 0.00 0.00 34.50 32.29 1j21 s PRO 195 CO 0.44 -2.34 1.08 -1.25 -0.33 0.00 0.00 177.00 174.61 1j21 s PRO 196 N -4.30 4.66 0.31 5.54 0.04 -1.26 -4.98 135.00 135.00 1j21 s PRO 196 Ca 0.71 1.76 -0.28 0.00 0.04 0.00 0.00 61.00 63.23 1j21 s PRO 196 Cb -0.27 -3.21 -0.13 0.00 0.04 0.00 0.00 34.50 30.93 1j21 s PRO 196 CO 0.53 0.22 1.20 1.17 0.04 0.00 0.00 177.00 180.16 1j21 n LYS 197 N 1.42 1.82 -0.88 4.56 3.00 -1.26 -2.40 118.16 124.43 1j21 n LYS 197 Ca -0.01 0.64 0.00 0.00 -0.00 0.00 0.00 58.31 58.94 1j21 n LYS 197 Cb 0.45 -2.15 0.00 0.00 0.00 0.00 0.00 35.03 33.33 1j21 n LYS 197 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1j21 n GLY 198 N 1.08 0.61 0.09 3.14 0.00 -1.26 -4.96 105.19 103.90 1j21 n GLY 198 Ca 0.07 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.93 1j21 n GLY 198 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 173.32 175.30 1j21 h MET 199 N 1.60 0.12 -6.67 1.61 -1.53 -1.88 -3.46 114.93 104.74 1j21 h MET 199 Ca 0.00 -0.18 -0.56 0.00 -3.44 0.00 0.00 59.70 55.52 1j21 h MET 199 Cb 0.00 0.06 0.08 0.00 -0.55 0.00 0.00 31.60 31.19 1j21 h MET 199 CO 0.00 1.02 0.73 1.19 0.14 0.00 0.00 176.91 180.00 1j21 n PHE 200 N -4.47 2.45 -0.04 1.39 3.01 -1.26 -4.93 117.46 113.61 1j21 n PHE 200 Ca -0.11 0.35 -0.06 0.00 1.01 0.00 0.00 57.45 58.64 1j21 n PHE 200 Cb 0.56 -2.52 -0.04 0.00 -0.01 0.00 0.00 39.48 37.47 1j21 n PHE 200 CO 0.00 0.00 0.00 0.54 1.01 0.00 0.00 176.76 178.31 1j21 n ARG 201 N 2.17 0.42 0.10 -1.08 1.74 -1.26 -4.74 116.66 114.01 1j21 n ARG 201 Ca 0.11 0.05 -0.02 0.00 -0.77 0.00 0.00 57.85 57.22 1j21 n ARG 201 Cb 0.34 -1.17 -0.04 0.00 -1.02 0.00 0.00 32.46 30.56 1j21 n ARG 201 CO 0.00 0.00 0.00 1.98 -1.52 0.00 0.00 177.63 178.09 1j21 h MET 202 N 0.00 0.00 -6.55 5.56 4.05 -1.95 -3.45 114.93 112.58 1j21 h MET 202 Ca -0.19 0.00 -0.67 0.00 -0.28 0.00 0.00 59.70 58.56 1j21 h MET 202 Cb 1.31 0.00 -0.17 0.00 -0.80 0.00 0.00 31.60 31.95 1j21 h MET 202 CO -0.03 0.71 -0.75 0.95 0.23 0.00 0.00 176.91 178.03 1j21 s THR 203 N -2.85 3.30 0.40 -0.77 -4.23 -1.26 -4.59 115.64 105.63 1j21 s THR 203 Ca 0.03 -1.24 -0.23 0.00 -1.18 0.00 0.00 61.69 59.06 1j21 s THR 203 Cb 0.09 -2.52 -0.10 0.00 1.34 0.00 0.00 72.50 71.31 1j21 s THR 203 CO 0.78 0.15 0.99 -1.58 -0.54 0.00 0.00 174.62 174.42 1j21 s GLN 204 N -2.07 4.23 0.12 3.99 2.00 0.18 -4.91 119.66 123.19 1j21 s GLN 204 Ca 0.20 1.32 -0.31 0.00 -2.00 0.00 0.00 55.36 54.58 1j21 s GLN 204 Cb -0.11 -2.42 -0.09 0.00 0.80 0.00 0.00 33.01 31.19 1j21 s GLN 204 CO 0.12 -0.05 1.59 0.34 -0.50 0.00 0.00 175.29 176.79 1j21 s ASP 205 N -1.83 6.61 0.25 6.67 2.15 -1.26 -3.15 116.67 126.11 1j21 s ASP 205 Ca 0.59 2.53 -0.14 0.00 0.43 0.00 0.00 52.55 55.96 1j21 s ASP 205 Cb -0.16 -2.58 0.32 0.00 -0.30 0.00 0.00 42.92 40.20 1j21 s ASP 205 CO 0.21 -0.84 1.55 -2.65 -0.17 0.00 0.00 175.17 173.27 1j21 n PRO 206 N 4.73 -0.18 0.23 4.34 -0.02 -1.26 0.11 135.00 142.94 1j21 n PRO 206 Ca 0.15 1.54 0.16 0.00 -2.02 0.00 0.00 63.50 63.33 1j21 n PRO 206 Cb 0.40 -2.29 0.84 0.00 -0.02 0.00 0.00 33.50 32.43 1j21 n PRO 206 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 1j21 h GLU 207 N 0.00 0.00 -0.60 -0.52 5.08 -1.92 0.10 114.58 116.73 1j21 h GLU 207 Ca 0.39 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.75 1j21 h GLU 207 Cb 0.64 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.89 1j21 h GLU 207 CO -1.00 0.00 0.00 0.39 -1.00 0.00 0.00 179.01 177.40 1j21 n GLU 208 N -3.86 4.44 -3.03 2.33 -0.58 0.29 -4.98 120.64 115.26 1j21 n GLU 208 Ca 0.00 -3.07 -0.30 0.00 -0.42 0.00 0.00 57.16 53.38 1j21 n GLU 208 Cb 0.25 -2.12 -0.03 0.00 -0.57 0.00 0.00 31.44 28.96 1j21 n GLU 208 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1j21 s ALA 209 N -2.44 3.43 0.23 0.62 0.00 0.36 -4.82 121.76 119.15 1j21 s ALA 209 Ca 0.53 -0.30 -0.26 0.00 0.00 0.00 0.00 51.96 51.94 1j21 s ALA 209 Cb 0.38 -2.58 -0.16 0.00 0.00 0.00 0.00 23.12 20.76 1j21 s ALA 209 CO 0.19 0.10 0.42 -2.30 0.00 0.00 0.00 175.76 174.17 1j21 n PRO 210 N -1.11 0.00 0.19 0.00 -0.02 -1.26 -4.85 135.00 127.95 1j21 n PRO 210 Ca 0.01 0.00 0.13 0.00 -2.02 0.00 0.00 63.50 61.62 1j21 n PRO 210 Cb 0.54 -0.96 0.32 0.00 -0.02 0.00 0.00 33.50 33.38 1j21 n PRO 210 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 1j21 h ASP 211 N 0.84 0.00 -3.29 2.55 3.32 -1.98 -3.43 116.42 114.43 1j21 h ASP 211 Ca -0.28 0.00 -0.68 0.00 0.02 0.00 0.00 57.03 56.09 1j21 h ASP 211 Cb 1.38 0.00 -0.15 0.00 0.22 0.00 0.00 39.33 40.78 1j21 h ASP 211 CO 0.53 0.00 -0.62 0.00 -1.72 0.00 0.00 179.24 177.43 1j21 s ALA 212 N -3.25 3.31 0.69 3.45 0.00 -1.26 -5.08 121.76 119.61 1j21 s ALA 212 Ca 0.07 -0.80 -0.14 0.00 0.00 0.00 0.00 51.96 51.10 1j21 s ALA 212 Cb 0.08 -1.52 0.01 0.00 0.00 0.00 0.00 23.12 21.69 1j21 s ALA 212 CO 0.62 0.57 1.10 -1.25 0.00 0.00 0.00 175.76 176.79 1j21 s PRO 213 N -0.81 2.69 -0.07 0.00 0.04 -1.26 -4.96 135.00 130.62 1j21 s PRO 213 Ca 0.12 1.30 0.02 0.00 0.04 0.00 0.00 61.00 62.48 1j21 s PRO 213 Cb -0.11 -1.94 0.01 0.00 0.04 0.00 0.00 34.50 32.50 1j21 s PRO 213 CO 0.02 -1.32 -0.12 -2.00 0.04 0.00 0.00 177.00 173.62 1j21 s GLU 214 N -4.36 1.71 0.11 4.56 2.12 -0.69 -4.96 118.70 117.17 1j21 s GLU 214 Ca 0.65 -0.40 -0.11 0.00 0.36 0.00 0.00 54.97 55.46 1j21 s GLU 214 Cb -0.19 -1.46 -0.06 0.00 0.26 0.00 0.00 34.13 32.68 1j21 s GLU 214 CO 0.46 -0.02 0.46 0.71 -0.54 0.00 0.00 175.26 176.33 1j21 s TYR 215 N 0.83 3.59 -0.02 5.30 1.51 -1.26 -0.91 117.35 126.39 1j21 s TYR 215 Ca -0.11 0.89 -0.05 0.00 -1.01 0.00 0.00 57.07 56.79 1j21 s TYR 215 Cb -0.15 -2.24 0.00 0.00 -0.11 0.00 0.00 41.96 39.46 1j21 s TYR 215 CO 0.02 0.48 0.10 0.54 -1.11 0.00 0.00 175.55 175.58 1j21 s VAL 216 N -1.43 0.04 0.02 0.71 0.11 -0.32 -4.99 120.40 114.54 1j21 s VAL 216 Ca 0.35 -0.36 0.08 0.00 -2.93 0.00 0.00 61.98 59.12 1j21 s VAL 216 Cb -0.14 -0.27 -0.02 0.00 -1.53 0.00 0.00 36.38 34.41 1j21 s VAL 216 CO 0.19 -0.20 -0.25 -1.61 -3.33 0.00 0.00 175.10 169.90 1j21 s GLU 217 N -0.64 1.81 -0.06 1.54 2.02 -1.26 -0.53 118.70 121.58 1j21 s GLU 217 Ca -0.07 -1.01 0.02 0.00 0.02 0.00 0.00 54.97 53.93 1j21 s GLU 217 Cb -0.04 -1.90 0.01 0.00 0.10 0.00 0.00 34.13 32.30 1j21 s GLU 217 CO 0.00 0.50 -0.12 0.08 0.02 0.00 0.00 175.26 175.75 1j21 s VAL 218 N -0.72 1.11 -0.19 2.63 1.01 -0.43 -0.57 120.40 123.24 1j21 s VAL 218 Ca 0.10 -0.47 -0.09 0.00 0.00 0.00 0.00 61.98 61.52 1j21 s VAL 218 Cb -0.10 -1.02 -0.05 0.00 0.00 0.00 0.00 36.38 35.22 1j21 s VAL 218 CO 0.01 0.35 0.11 -0.70 0.00 0.00 0.00 175.10 174.87 1j21 s GLU 219 N 0.66 4.09 -0.01 2.72 2.12 -0.58 -1.04 118.70 126.66 1j21 s GLU 219 Ca -0.14 -0.25 0.03 0.00 0.36 0.00 0.00 54.97 54.97 1j21 s GLU 219 Cb -0.16 -3.35 -0.03 0.00 0.26 0.00 0.00 34.13 30.85 1j21 s GLU 219 CO 0.04 0.32 -0.05 -0.06 -0.54 0.00 0.00 175.26 174.96 1j21 s PHE 220 N 0.28 2.93 -0.19 5.30 0.40 0.32 -0.55 117.98 126.46 1j21 s PHE 220 Ca 0.07 -0.01 -0.02 0.00 -0.60 0.00 0.00 56.93 56.37 1j21 s PHE 220 Cb -0.11 -1.63 0.06 0.00 0.51 0.00 0.00 43.02 41.84 1j21 s PHE 220 CO -0.01 0.38 0.02 0.12 0.70 0.00 0.00 175.22 176.43 1j21 s PHE 221 N -0.99 1.22 -1.30 0.36 5.36 0.46 -1.80 117.98 121.29 1j21 s PHE 221 Ca 0.17 -0.95 -0.03 0.00 -0.96 0.00 0.00 56.93 55.15 1j21 s PHE 221 Cb -0.11 -1.10 -0.00 0.00 -0.34 0.00 0.00 43.02 41.46 1j21 s PHE 221 CO 0.07 -0.62 0.63 0.39 -1.46 0.00 0.00 175.22 174.23 1j21 n GLU 222 N 5.00 -3.74 0.00 10.12 1.02 -0.88 -2.76 120.64 129.40 1j21 n GLU 222 Ca -0.09 0.53 0.00 0.00 -0.02 0.00 0.00 57.16 57.58 1j21 n GLU 222 Cb 0.47 -4.83 0.00 0.00 -0.02 0.00 0.00 31.44 27.06 1j21 n GLU 222 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1j21 n GLY 223 N -1.71 3.08 3.55 0.62 0.00 -0.33 -4.27 105.19 106.13 1j21 n GLY 223 Ca -0.27 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.45 1j21 n GLY 223 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1j21 s ASP 224 N -0.06 4.27 0.00 1.61 1.01 -1.11 -4.67 116.67 117.72 1j21 s ASP 224 Ca 0.00 -0.41 -0.30 0.00 0.71 0.00 0.00 52.55 52.55 1j21 s ASP 224 Cb 0.00 -0.78 -0.05 0.00 1.01 0.00 0.00 42.92 43.10 1j21 s ASP 224 CO 0.00 0.19 1.28 -2.84 0.21 0.00 0.00 175.17 174.01 1j21 s PRO 225 N -2.08 4.35 0.00 8.23 0.02 -1.26 -0.40 135.00 143.86 1j21 s PRO 225 Ca 0.20 1.83 0.00 0.00 0.02 0.00 0.00 61.00 63.04 1j21 s PRO 225 Cb -0.11 -3.49 0.00 0.00 0.02 0.00 0.00 34.50 30.92 1j21 s PRO 225 CO 0.12 -0.44 0.08 1.33 -0.33 0.00 0.00 177.00 177.76 1j21 n VAL 226 N 4.41 0.00 -3.49 3.83 0.24 0.28 -4.82 118.33 118.79 1j21 n VAL 226 Ca 0.11 -0.47 -0.13 0.00 -2.04 0.00 0.00 64.34 61.81 1j21 n VAL 226 Cb 0.45 1.01 -0.04 0.00 -1.47 0.00 0.00 33.84 33.79 1j21 n VAL 226 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1j21 s ALA 227 N -0.77 -1.75 -0.07 2.33 0.00 -1.20 -1.85 121.76 118.45 1j21 s ALA 227 Ca 0.00 1.04 0.01 0.00 0.00 0.00 0.00 51.96 53.01 1j21 s ALA 227 Cb 0.00 0.26 0.02 0.00 0.00 0.00 0.00 23.12 23.40 1j21 s ALA 227 CO 0.00 -0.54 -0.09 0.08 0.00 0.00 0.00 175.76 175.21 1j21 s VAL 228 N -2.33 0.92 -1.53 0.00 1.01 -0.38 -1.52 120.40 116.58 1j21 s VAL 228 Ca -0.03 -0.32 -0.14 0.00 0.00 0.00 0.00 61.98 61.49 1j21 s VAL 228 Cb -0.01 -0.90 0.10 0.00 0.00 0.00 0.00 36.38 35.58 1j21 s VAL 228 CO -0.02 0.32 0.84 0.59 0.00 0.00 0.00 175.10 176.83 1j21 n ASN 229 N 4.18 -4.37 0.00 3.32 3.02 0.27 -0.90 115.26 120.77 1j21 n ASN 229 Ca -0.20 -0.74 0.00 0.00 -0.03 0.00 0.00 54.58 53.61 1j21 n ASN 229 Cb 0.51 -3.52 0.00 0.00 -0.61 0.00 0.00 39.78 36.16 1j21 n ASN 229 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1j21 n GLY 230 N -1.52 1.29 3.50 7.41 0.00 -1.26 -5.02 105.19 109.59 1j21 n GLY 230 Ca 0.04 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.69 1j21 n GLY 230 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1j21 s GLU 231 N -0.19 3.77 0.23 1.61 2.12 -0.08 -5.06 118.70 121.10 1j21 s GLU 231 Ca 0.00 -0.42 -0.30 0.00 0.36 0.00 0.00 54.97 54.61 1j21 s GLU 231 Cb 0.00 -3.43 -0.10 0.00 0.26 0.00 0.00 34.13 30.86 1j21 s GLU 231 CO 0.00 -0.16 1.45 1.03 -0.54 0.00 0.00 175.26 177.04 1j21 s ARG 232 N 1.59 4.27 -0.03 4.30 1.81 -1.26 -1.25 118.95 128.38 1j21 s ARG 232 Ca 0.06 2.29 -0.02 0.00 -1.72 0.00 0.00 55.73 56.34 1j21 s ARG 232 Cb -0.15 -3.12 0.01 0.00 -0.45 0.00 0.00 34.95 31.24 1j21 s ARG 232 CO 0.06 -0.44 0.08 -0.51 -0.68 0.00 0.00 175.30 173.80 1j21 s LEU 233 N -0.11 1.55 0.84 2.53 1.43 -0.77 -4.94 118.68 119.21 1j21 s LEU 233 Ca 0.61 0.15 -0.13 0.00 -1.03 0.00 0.00 54.13 53.73 1j21 s LEU 233 Cb -0.42 0.22 0.09 0.00 0.03 0.00 0.00 46.19 46.12 1j21 s LEU 233 CO 0.41 -0.05 1.13 -1.54 0.23 0.00 0.00 176.35 176.53 1j21 n SER 234 N 3.29 0.65 -0.27 2.29 3.41 -1.26 -4.51 113.62 117.22 1j21 n SER 234 Ca -0.15 0.54 -0.03 0.00 -0.26 0.00 0.00 58.87 58.97 1j21 n SER 234 Cb 0.58 -1.48 0.03 0.00 -0.26 0.00 0.00 64.21 63.08 1j21 n SER 234 CO 0.00 0.00 0.00 -0.65 -0.16 0.00 0.00 175.04 174.23 1j21 h PRO 235 N -1.13 -0.08 -0.23 4.33 0.11 -1.93 0.20 132.00 133.27 1j21 h PRO 235 Ca -0.45 0.01 -0.02 0.00 0.11 0.00 0.00 66.00 65.64 1j21 h PRO 235 Cb 1.29 0.02 -0.01 0.00 0.11 0.00 0.00 31.00 32.41 1j21 h PRO 235 CO 0.44 -0.05 0.05 0.00 -0.21 0.00 0.00 178.00 178.23 1j21 h ALA 236 N 1.25 0.30 -0.52 -0.75 0.00 -1.85 -2.20 119.26 115.49 1j21 h ALA 236 Ca 0.29 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 55.03 1j21 h ALA 236 Cb 0.57 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.25 1j21 h ALA 236 CO -0.80 -0.04 0.27 0.00 0.00 0.00 0.00 179.25 178.67 1j21 h ALA 237 N 0.87 1.49 -0.21 0.00 0.00 -1.73 -1.22 119.26 118.46 1j21 h ALA 237 Ca 0.07 -0.10 -0.03 0.00 0.00 0.00 0.00 54.91 54.85 1j21 h ALA 237 Cb 0.28 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 1j21 h ALA 237 CO 0.00 0.42 -0.00 1.25 0.00 0.00 0.00 179.25 180.91 1j21 h LEU 238 N 0.73 0.36 -0.77 0.00 6.46 -0.43 0.26 115.31 121.92 1j21 h LEU 238 Ca 0.18 -0.31 -0.05 0.00 -0.12 0.00 0.00 57.88 57.59 1j21 h LEU 238 Cb 0.05 -0.10 -0.03 0.00 -0.73 0.00 0.00 40.66 39.85 1j21 h LEU 238 CO -0.03 0.59 0.30 0.25 -0.62 0.00 0.00 178.44 178.93 1j21 h LEU 239 N 0.13 1.07 0.03 2.25 6.46 -1.15 -0.28 115.31 123.82 1j21 h LEU 239 Ca 0.06 -0.18 -0.00 0.00 -0.12 0.00 0.00 57.88 57.64 1j21 h LEU 239 Cb 0.40 -0.28 0.00 0.00 -0.73 0.00 0.00 40.66 40.06 1j21 h LEU 239 CO 0.01 0.95 -0.01 -0.61 -0.62 0.00 0.00 178.44 178.16 1j21 h GLN 240 N 1.12 -0.03 -0.46 1.25 5.75 -1.03 0.52 115.11 122.22 1j21 h GLN 240 Ca 0.26 0.00 0.06 0.00 -0.15 0.00 0.00 58.65 58.82 1j21 h GLN 240 Cb 0.22 0.01 -0.05 0.00 1.07 0.00 0.00 27.48 28.73 1j21 h GLN 240 CO -0.02 0.05 0.16 -0.09 -2.65 0.00 0.00 178.83 176.28 1j21 h ARG 241 N -0.11 0.32 0.00 1.69 9.65 -0.00 -1.01 114.38 124.92 1j21 h ARG 241 Ca -0.00 -0.02 -0.06 0.00 -1.10 0.00 0.00 59.98 58.80 1j21 h ARG 241 Cb 0.10 -0.07 -0.01 0.00 -1.39 0.00 0.00 29.97 28.60 1j21 h ARG 241 CO 0.01 0.21 -0.27 -0.07 2.80 0.00 0.00 179.97 182.65 1j21 h LEU 242 N 0.33 0.00 -0.28 3.80 3.38 -0.82 -1.19 115.31 120.53 1j21 h LEU 242 Ca 0.22 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 58.10 1j21 h LEU 242 Cb 0.23 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.97 1j21 h LEU 242 CO -0.23 0.27 -0.19 0.78 0.09 0.00 0.00 178.44 179.16 1j21 h ASN 243 N 0.00 0.64 0.76 -0.43 2.35 0.21 0.09 115.58 119.20 1j21 h ASN 243 Ca -0.00 -0.43 -0.04 0.00 -0.55 0.00 0.00 56.30 55.28 1j21 h ASN 243 Cb 0.66 -0.18 0.00 0.00 0.05 0.00 0.00 38.32 38.85 1j21 h ASN 243 CO 0.03 0.94 -0.39 -0.33 -1.65 0.00 0.00 177.43 176.03 1j21 h GLU 244 N 0.35 -1.02 -0.28 0.81 5.08 -0.81 1.11 114.58 119.83 1j21 h GLU 244 Ca 0.06 0.07 0.03 0.00 -1.00 0.00 0.00 59.36 58.51 1j21 h GLU 244 Cb 0.72 0.23 -0.03 0.00 0.50 0.00 0.00 28.75 30.18 1j21 h GLU 244 CO 0.05 -0.68 0.10 0.82 -1.00 0.00 0.00 179.01 178.30 1j21 h ILE 245 N -1.06 0.94 -0.12 3.13 2.04 -1.26 -2.58 117.51 118.60 1j21 h ILE 245 Ca -0.10 -0.08 -0.23 0.00 1.00 0.00 0.00 64.86 65.44 1j21 h ILE 245 Cb 0.83 0.69 0.01 0.00 -0.74 0.00 0.00 36.82 37.60 1j21 h ILE 245 CO 0.15 0.04 -0.85 1.23 0.00 0.00 0.00 178.15 178.73 1j21 h GLY 246 N 0.23 0.85 0.40 5.37 0.00 -0.94 -3.30 103.07 105.68 1j21 h GLY 246 Ca 0.12 -1.26 0.08 0.00 0.00 0.00 0.00 47.33 46.27 1j21 h GLY 246 CO -0.12 1.12 0.13 -1.33 0.00 0.00 0.00 176.54 176.35 1j21 h GLY 247 N 0.54 0.65 1.37 4.60 0.00 0.14 -1.35 103.07 109.02 1j21 h GLY 247 Ca -0.07 -0.05 0.07 0.00 0.00 0.00 0.00 47.33 47.27 1j21 h GLY 247 CO 0.17 -0.05 0.25 0.07 0.00 0.00 0.00 176.54 176.99 1j21 h ARG 248 N 0.28 0.00 -0.11 4.80 0.11 -1.54 0.55 114.38 118.48 1j21 h ARG 248 Ca 0.25 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.33 1j21 h ARG 248 Cb 0.32 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.40 1j21 h ARG 248 CO -0.30 0.00 0.00 0.72 0.10 0.00 0.00 179.97 180.49 1j21 n HIS 249 N -3.78 0.12 -1.53 4.08 8.25 -0.54 -4.38 115.22 117.44 1j21 n HIS 249 Ca 0.03 -0.06 -0.06 0.00 -0.26 0.00 0.00 57.72 57.37 1j21 n HIS 249 Cb 0.39 0.00 -0.02 0.00 1.12 0.00 0.00 29.99 31.48 1j21 n HIS 249 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1j21 n GLY 250 N 1.35 0.58 3.80 -1.41 0.00 -0.09 0.11 105.19 109.54 1j21 n GLY 250 Ca 0.16 -0.72 -0.34 0.00 0.00 0.00 0.00 46.02 45.12 1j21 n GLY 250 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1j21 s VAL 251 N -2.26 4.09 -0.01 1.61 1.01 -1.07 -4.05 120.40 119.72 1j21 s VAL 251 Ca 0.00 1.36 -0.00 0.00 0.00 0.00 0.00 61.98 63.34 1j21 s VAL 251 Cb 0.00 -3.59 0.00 0.00 0.00 0.00 0.00 36.38 32.79 1j21 s VAL 251 CO 0.00 -0.22 0.01 0.61 0.00 0.00 0.00 175.10 175.50 1j21 n GLY 252 N -0.30 0.90 3.60 4.51 0.00 -1.26 -3.44 105.19 109.20 1j21 n GLY 252 Ca 0.07 -0.69 -0.36 0.00 0.00 0.00 0.00 46.02 45.04 1j21 n GLY 252 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1j21 s ARG 253 N -4.93 3.94 -0.03 1.61 0.52 -1.26 0.32 118.95 119.13 1j21 s ARG 253 Ca 0.00 -0.34 0.05 0.00 -0.52 0.00 0.00 55.73 54.93 1j21 s ARG 253 Cb -0.00 -3.41 -0.01 0.00 0.52 0.00 0.00 34.95 32.05 1j21 s ARG 253 CO 0.00 0.05 -0.19 0.08 0.02 0.00 0.00 175.30 175.26 1j21 s VAL 254 N 1.03 1.56 -0.29 3.52 1.01 0.16 -4.99 120.40 122.40 1j21 s VAL 254 Ca 0.06 -0.82 -0.01 0.00 0.00 0.00 0.00 61.98 61.21 1j21 s VAL 254 Cb -0.14 -1.31 0.09 0.00 0.00 0.00 0.00 36.38 35.02 1j21 s VAL 254 CO 0.04 0.44 0.07 -0.62 0.00 0.00 0.00 175.10 175.03 1j21 s ASP 255 N -0.24 3.91 0.15 3.32 -1.08 -1.26 0.22 116.67 121.68 1j21 s ASP 255 Ca 0.02 -1.52 0.01 0.00 -0.52 0.00 0.00 52.55 50.54 1j21 s ASP 255 Cb -0.10 -0.91 -0.04 0.00 -1.46 0.00 0.00 42.92 40.41 1j21 s ASP 255 CO 0.01 -0.38 0.01 0.27 0.52 0.00 0.00 175.17 175.60 1j21 s ILE 256 N 1.58 0.46 -0.33 4.11 -4.36 -0.03 -5.00 121.20 117.62 1j21 s ILE 256 Ca 0.07 -1.94 -0.05 0.00 -0.26 0.00 0.00 60.65 58.46 1j21 s ILE 256 Cb -0.17 -2.04 0.04 0.00 1.25 0.00 0.00 42.46 41.54 1j21 s ILE 256 CO -0.20 -0.52 0.09 -0.69 0.24 0.00 0.00 174.94 173.85 1j21 s VAL 257 N -3.80 3.61 0.26 8.37 1.01 -1.26 0.33 120.40 128.91 1j21 s VAL 257 Ca 0.22 -1.22 0.07 0.00 0.00 0.00 0.00 61.98 61.05 1j21 s VAL 257 Cb 0.07 -3.06 -0.03 0.00 0.00 0.00 0.00 36.38 33.35 1j21 s VAL 257 CO 0.02 -0.18 0.26 -1.83 0.00 0.00 0.00 175.10 173.36 1j21 s GLU 258 N 1.36 3.04 -0.24 2.72 -1.05 0.12 -4.86 118.70 119.79 1j21 s GLU 258 Ca -0.02 -1.00 -0.18 0.00 -0.15 0.00 0.00 54.97 53.62 1j21 s GLU 258 Cb -0.20 -2.64 -0.03 0.00 -0.44 0.00 0.00 34.13 30.82 1j21 s GLU 258 CO 0.02 0.37 0.49 -0.80 0.95 0.00 0.00 175.26 176.29 1j21 s ASN 259 N -3.90 6.46 0.53 0.83 0.01 -1.26 -0.78 114.94 116.82 1j21 s ASN 259 Ca 0.34 0.55 -0.16 0.00 -0.71 0.00 0.00 52.86 52.89 1j21 s ASN 259 Cb -0.08 -2.27 -0.07 0.00 0.41 0.00 0.00 41.25 39.23 1j21 s ASN 259 CO 0.26 -0.23 0.99 -0.13 -1.51 0.00 0.00 177.10 176.49 1j21 s ARG 260 N 1.99 3.89 0.04 -0.60 0.52 0.30 -4.98 118.95 120.11 1j21 s ARG 260 Ca 0.21 0.91 -0.17 0.00 -0.52 0.00 0.00 55.73 56.17 1j21 s ARG 260 Cb -0.15 -2.13 -0.24 0.00 0.52 0.00 0.00 34.95 32.95 1j21 s ARG 260 CO 0.09 -0.31 1.14 0.35 0.02 0.00 0.00 175.30 176.59 1j21 h PHE 261 N 0.73 0.85 -0.23 -0.53 3.57 -1.92 -3.33 116.94 116.07 1j21 h PHE 261 Ca -0.46 -0.47 -0.69 0.00 3.53 0.00 0.00 57.97 59.88 1j21 h PHE 261 Cb 1.19 -0.09 -0.02 0.00 2.79 0.00 0.00 35.95 39.82 1j21 h PHE 261 CO 0.64 1.30 3.41 0.28 -2.23 0.00 0.00 178.31 181.71 1j21 n VAL 262 N -4.02 4.26 0.00 1.41 0.31 -1.26 -4.83 118.33 114.21 1j21 n VAL 262 Ca -0.11 -3.01 0.00 0.00 -0.01 0.00 0.00 64.34 61.21 1j21 n VAL 262 Cb 0.80 -2.53 0.00 0.00 -0.91 0.00 0.00 33.84 31.20 1j21 n VAL 262 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1j21 n GLY 263 N 3.40 2.41 0.00 2.92 0.00 -1.25 -4.91 105.19 107.76 1j21 n GLY 263 Ca 0.69 -0.50 0.00 0.00 0.00 0.00 0.00 46.02 46.20 1j21 n GLY 263 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 173.32 174.47 1j21 n MET 264 N 0.00 1.71 -3.37 1.61 0.00 -1.26 -4.87 117.12 110.94 1j21 n MET 264 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 57.70 57.40 1j21 n MET 264 Cb 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 33.22 33.18 1j21 n MET 264 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 175.97 176.12 1j21 s LYS 265 N 1.09 3.68 -0.08 3.17 1.02 -1.26 0.11 119.74 127.47 1j21 s LYS 265 Ca 0.00 0.09 -0.09 0.00 0.02 0.00 0.00 55.97 55.98 1j21 s LYS 265 Cb 0.00 -2.65 0.02 0.00 -0.52 0.00 0.00 37.83 34.68 1j21 s LYS 265 CO 0.00 0.25 0.26 0.45 -0.92 0.00 0.00 175.35 175.39 1j21 s SER 266 N -2.89 -0.25 -0.28 2.83 0.15 0.04 -4.88 113.70 108.42 1j21 s SER 266 Ca 0.45 0.44 -0.16 0.00 0.70 0.00 0.00 55.95 57.38 1j21 s SER 266 Cb -0.11 0.50 -0.03 0.00 -1.71 0.00 0.00 66.02 64.67 1j21 s SER 266 CO 0.27 -0.14 0.44 -0.60 1.20 0.00 0.00 173.24 174.41 1j21 s ARG 267 N -0.09 3.95 0.07 5.44 3.00 -1.26 0.15 118.95 130.21 1j21 s ARG 267 Ca -0.02 0.07 0.06 0.00 -1.00 0.00 0.00 55.73 54.85 1j21 s ARG 267 Cb -0.03 -3.69 -0.03 0.00 0.00 0.00 0.00 34.95 31.21 1j21 s ARG 267 CO 0.01 -0.37 -0.17 0.20 0.00 0.00 0.00 175.30 174.97 1j21 s GLY 268 N 1.63 1.00 -0.08 8.12 0.00 0.15 -4.31 107.32 113.84 1j21 s GLY 268 Ca 0.17 -1.05 0.03 0.00 0.00 0.00 0.00 44.72 43.87 1j21 s GLY 268 CO 0.10 -1.05 -0.17 0.14 0.00 0.00 0.00 173.10 172.13 1j21 s VAL 269 N -1.09 1.53 0.01 1.40 1.01 -0.17 -0.85 120.40 122.24 1j21 s VAL 269 Ca 0.03 -0.70 0.03 0.00 0.00 0.00 0.00 61.98 61.33 1j21 s VAL 269 Cb -0.09 -1.36 -0.01 0.00 0.00 0.00 0.00 36.38 34.91 1j21 s VAL 269 CO 0.03 0.44 -0.09 -0.31 0.00 0.00 0.00 175.10 175.17 1j21 s TYR 270 N 0.59 0.76 -0.17 5.22 1.51 0.13 -0.86 117.35 124.53 1j21 s TYR 270 Ca -0.15 -0.22 0.01 0.00 -1.01 0.00 0.00 57.07 55.70 1j21 s TYR 270 Cb -0.16 -0.47 0.03 0.00 -0.11 0.00 0.00 41.96 41.24 1j21 s TYR 270 CO 0.05 -0.02 -0.14 -1.83 -1.11 0.00 0.00 175.55 172.50 1j21 s GLU 271 N -0.52 2.31 -0.47 -0.62 -1.05 -1.01 0.36 118.70 117.69 1j21 s GLU 271 Ca 0.01 -0.68 0.07 0.00 -0.15 0.00 0.00 54.97 54.22 1j21 s GLU 271 Cb -0.05 -2.25 0.25 0.00 -0.44 0.00 0.00 34.13 31.64 1j21 s GLU 271 CO 0.00 -0.29 0.59 2.41 0.95 0.00 0.00 175.26 178.92 1j21 n THR 272 N 4.73 0.29 0.25 1.83 -1.04 0.15 -2.31 114.28 118.17 1j21 n THR 272 Ca -0.17 -4.39 -0.17 0.00 -2.04 0.00 0.00 64.05 57.28 1j21 n THR 272 Cb 0.49 -2.00 -0.09 0.00 -1.82 0.00 0.00 70.33 66.91 1j21 n THR 272 CO 0.00 0.00 0.00 1.55 -0.64 0.00 0.00 175.07 175.98 1j21 h PRO 273 N 4.09 -0.87 -0.33 -2.82 0.13 -1.75 0.10 132.00 130.55 1j21 h PRO 273 Ca 0.11 0.06 -0.02 0.00 -0.87 0.00 0.00 66.00 65.29 1j21 h PRO 273 Cb 0.81 0.20 -0.01 0.00 0.13 0.00 0.00 31.00 32.12 1j21 h PRO 273 CO 0.58 -0.58 0.14 0.78 -0.23 0.00 0.00 178.00 178.69 1j21 h GLY 274 N -0.90 0.51 1.15 1.56 0.00 -1.84 -2.57 103.07 100.98 1j21 h GLY 274 Ca -0.04 -0.27 -0.00 0.00 0.00 0.00 0.00 47.33 47.02 1j21 h GLY 274 CO -0.10 0.25 0.51 -1.33 0.00 0.00 0.00 176.54 175.88 1j21 h GLY 275 N 0.39 1.21 1.12 4.60 0.00 -1.79 -0.26 103.07 108.32 1j21 h GLY 275 Ca 0.11 -0.49 -0.08 0.00 0.00 0.00 0.00 47.33 46.87 1j21 h GLY 275 CO -0.01 0.48 0.09 -0.84 0.00 0.00 0.00 176.54 176.26 1j21 h THR 276 N 1.15 1.26 -0.15 4.70 2.02 -0.64 0.39 112.91 121.64 1j21 h THR 276 Ca 0.30 -1.04 -0.01 0.00 0.77 0.00 0.00 66.41 66.42 1j21 h THR 276 Cb -0.06 0.66 -0.01 0.00 -1.74 0.00 0.00 68.15 67.01 1j21 h THR 276 CO -0.06 0.39 0.04 0.40 0.37 0.00 0.00 175.52 176.66 1j21 h ILE 277 N 1.01 1.20 -0.88 3.11 2.04 -1.01 -2.88 117.51 120.09 1j21 h ILE 277 Ca 0.20 -0.61 0.06 0.00 1.00 0.00 0.00 64.86 65.51 1j21 h ILE 277 Cb 0.45 1.32 -0.06 0.00 -0.74 0.00 0.00 36.82 37.79 1j21 h ILE 277 CO 0.01 0.18 0.58 -0.07 0.00 0.00 0.00 178.15 178.85 1j21 h LEU 278 N 0.05 0.88 -0.34 1.44 3.38 -0.76 -0.17 115.31 119.79 1j21 h LEU 278 Ca 0.05 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.02 1j21 h LEU 278 Cb 0.25 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.80 1j21 h LEU 278 CO -0.00 0.57 0.20 0.22 0.09 0.00 0.00 178.44 179.52 1j21 h TYR 279 N 1.01 0.46 0.00 1.13 3.20 -0.75 -0.73 116.97 121.29 1j21 h TYR 279 Ca 0.38 -0.01 -0.19 0.00 3.14 0.00 0.00 58.73 62.05 1j21 h TYR 279 Cb 0.19 -0.15 -0.02 0.00 1.54 0.00 0.00 36.73 38.29 1j21 h TYR 279 CO -0.00 0.35 -0.86 0.45 -1.64 0.00 0.00 178.16 176.46 1j21 h HIS 280 N 0.44 0.19 -0.11 -3.82 3.86 -1.27 -2.94 115.15 111.49 1j21 h HIS 280 Ca 0.12 -0.11 -0.02 0.00 -1.16 0.00 0.00 60.37 59.20 1j21 h HIS 280 Cb 0.03 -0.02 -0.00 0.00 1.06 0.00 0.00 27.41 28.48 1j21 h HIS 280 CO -0.03 0.92 -0.02 0.00 0.86 0.00 0.00 177.93 179.65 1j21 h ALA 281 N 1.04 0.15 -0.33 2.45 0.00 -0.90 -2.19 119.26 119.49 1j21 h ALA 281 Ca -0.03 -0.22 0.06 0.00 0.00 0.00 0.00 54.91 54.72 1j21 h ALA 281 Cb 1.49 -0.04 -0.05 0.00 0.00 0.00 0.00 17.79 19.19 1j21 h ALA 281 CO 0.12 -0.12 0.00 -0.09 0.00 0.00 0.00 179.25 179.17 1j21 h ARG 282 N -0.10 0.10 0.00 0.00 2.43 -1.19 -1.37 114.38 114.24 1j21 h ARG 282 Ca 0.03 -0.01 -0.05 0.00 -0.81 0.00 0.00 59.98 59.14 1j21 h ARG 282 Cb 0.43 -0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 29.95 1j21 h ARG 282 CO 0.01 0.06 -0.23 0.00 -1.51 0.00 0.00 179.97 178.31 1j21 h ARG 283 N 0.10 0.00 -0.40 0.20 3.08 -1.49 0.82 114.38 116.69 1j21 h ARG 283 Ca 0.16 0.00 -0.14 0.00 0.07 0.00 0.00 59.98 60.07 1j21 h ARG 283 Cb 0.21 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.25 1j21 h ARG 283 CO -0.26 0.23 -0.28 0.00 -1.07 0.00 0.00 179.97 178.59 1j21 h ALA 284 N 1.77 0.57 -0.12 0.04 0.00 -0.66 -0.78 119.26 120.08 1j21 h ALA 284 Ca -0.00 -0.41 -0.17 0.00 0.00 0.00 0.00 54.91 54.32 1j21 h ALA 284 Cb 0.43 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.08 1j21 h ALA 284 CO 0.03 0.60 -0.66 0.28 0.00 0.00 0.00 179.25 179.50 1j21 h VAL 285 N 0.71 1.35 0.00 0.00 2.07 -0.78 -3.00 116.25 116.60 1j21 h VAL 285 Ca 0.08 -1.99 -0.05 0.00 0.82 0.00 0.00 66.70 65.55 1j21 h VAL 285 Cb 0.86 1.98 -0.01 0.00 -1.52 0.00 0.00 31.29 32.60 1j21 h VAL 285 CO 0.08 0.61 -0.25 -0.33 0.02 0.00 0.00 177.57 177.70 1j21 h GLU 286 N 0.33 0.00 0.00 1.57 5.08 -0.65 -2.24 114.58 118.67 1j21 h GLU 286 Ca -0.02 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.34 1j21 h GLU 286 Cb 1.22 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.47 1j21 h GLU 286 CO 0.12 0.25 0.00 0.66 -1.00 0.00 0.00 179.01 179.03 1j21 h SER 287 N 0.00 0.00 0.00 1.42 4.64 -0.99 -1.48 113.55 117.14 1j21 h SER 287 Ca -0.00 0.00 -0.13 0.00 -0.47 0.00 0.00 61.79 61.18 1j21 h SER 287 Cb 0.48 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.54 1j21 h SER 287 CO 0.03 0.00 -1.62 0.18 -0.87 0.00 0.00 176.83 174.55 1j21 n LEU 288 N -2.37 0.00 -0.00 5.97 4.77 -0.99 -4.76 117.00 119.62 1j21 n LEU 288 Ca 0.01 0.00 0.09 0.00 -0.03 0.00 0.00 56.01 56.08 1j21 n LEU 288 Cb 0.17 0.18 -0.12 0.00 -2.33 0.00 0.00 43.42 41.32 1j21 n LEU 288 CO 0.17 0.18 -0.28 0.35 -1.33 0.00 0.00 177.39 176.49 1j21 n THR 289 N -2.24 0.00 -4.05 -5.08 -2.24 -0.88 -0.47 114.28 99.33 1j21 n THR 289 Ca -0.12 -0.19 -0.33 0.00 -2.27 0.00 0.00 64.05 61.13 1j21 n THR 289 Cb 0.68 0.68 -0.06 0.00 -2.10 0.00 0.00 70.33 69.53 1j21 n THR 289 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1j21 s LEU 290 N -3.37 4.04 0.42 3.22 1.43 -0.58 -4.84 118.68 118.99 1j21 s LEU 290 Ca 0.02 0.22 -0.24 0.00 -1.03 0.00 0.00 54.13 53.10 1j21 s LEU 290 Cb 0.13 -2.33 -0.08 0.00 0.03 0.00 0.00 46.19 43.94 1j21 s LEU 290 CO 0.78 0.28 1.09 -0.62 0.23 0.00 0.00 176.35 178.11 1j21 s ASP 291 N -1.72 6.55 0.13 2.29 -1.08 -1.26 -4.88 116.67 116.71 1j21 s ASP 291 Ca 0.23 2.13 -0.29 0.00 -0.52 0.00 0.00 52.55 54.10 1j21 s ASP 291 Cb -0.12 -2.59 -0.05 0.00 -1.46 0.00 0.00 42.92 38.70 1j21 s ASP 291 CO 0.14 -0.64 1.58 -0.09 0.52 0.00 0.00 175.17 176.68 1j21 h ARG 292 N 2.33 -0.45 0.00 4.34 2.43 -1.98 -0.20 114.38 120.86 1j21 h ARG 292 Ca -0.49 0.03 -0.06 0.00 -0.81 0.00 0.00 59.98 58.66 1j21 h ARG 292 Cb 1.23 0.10 -0.01 0.00 -0.42 0.00 0.00 29.97 30.87 1j21 h ARG 292 CO 0.62 -0.30 -0.26 0.93 -1.51 0.00 0.00 179.97 179.44 1j21 h GLU 293 N -0.46 0.00 -0.29 0.20 4.39 -2.00 -1.56 114.58 114.87 1j21 h GLU 293 Ca 0.08 0.00 -0.11 0.00 0.34 0.00 0.00 59.36 59.68 1j21 h GLU 293 Cb 0.62 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.27 1j21 h GLU 293 CO -0.44 0.26 -0.24 0.28 -1.16 0.00 0.00 179.01 177.71 1j21 h VAL 294 N 0.00 1.30 -0.11 3.13 2.07 -1.79 -2.95 116.25 117.90 1j21 h VAL 294 Ca -0.00 -1.39 -0.01 0.00 0.82 0.00 0.00 66.70 66.12 1j21 h VAL 294 Cb 0.49 1.56 -0.00 0.00 -1.52 0.00 0.00 31.29 31.81 1j21 h VAL 294 CO 0.03 0.44 0.05 0.25 0.02 0.00 0.00 177.57 178.37 1j21 h LEU 295 N 0.41 0.14 -1.68 2.57 5.85 -0.58 -1.14 115.31 120.88 1j21 h LEU 295 Ca 0.05 -0.14 0.03 0.00 0.84 0.00 0.00 57.88 58.66 1j21 h LEU 295 Cb 0.80 -0.04 -0.02 0.00 0.37 0.00 0.00 40.66 41.77 1j21 h LEU 295 CO 0.06 0.25 0.26 0.45 -0.34 0.00 0.00 178.44 179.12 1j21 h HIS 296 N 0.03 0.40 0.02 1.25 3.86 -1.35 -1.43 115.15 117.94 1j21 h HIS 296 Ca 0.04 0.01 -0.18 0.00 -1.16 0.00 0.00 60.37 59.08 1j21 h HIS 296 Cb 0.15 -0.13 0.02 0.00 1.06 0.00 0.00 27.41 28.50 1j21 h HIS 296 CO -0.02 0.24 -0.72 0.37 0.86 0.00 0.00 177.93 178.66 1j21 h GLN 297 N 0.42 0.44 -0.44 2.45 5.75 -1.33 -3.10 115.11 119.30 1j21 h GLN 297 Ca 0.15 -0.51 0.03 0.00 -0.15 0.00 0.00 58.65 58.17 1j21 h GLN 297 Cb 0.10 0.15 -0.03 0.00 1.07 0.00 0.00 27.48 28.77 1j21 h GLN 297 CO -0.04 1.16 0.24 -0.09 -2.65 0.00 0.00 178.83 177.45 1j21 h ARG 298 N -0.06 0.46 -0.00 1.69 1.12 -0.81 -2.45 114.38 114.33 1j21 h ARG 298 Ca -0.10 -0.03 -0.03 0.00 -1.11 0.00 0.00 59.98 58.71 1j21 h ARG 298 Cb 1.44 -0.10 -0.00 0.00 -0.01 0.00 0.00 29.97 31.29 1j21 h ARG 298 CO 0.14 0.30 -0.16 -0.44 -3.11 0.00 0.00 179.97 176.70 1j21 h ASP 299 N 0.47 0.00 1.28 -3.80 3.32 -1.35 -0.79 116.42 115.55 1j21 h ASP 299 Ca 0.18 -0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.23 1j21 h ASP 299 Cb 0.07 -0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.62 1j21 h ASP 299 CO -0.11 0.16 0.00 0.23 -1.72 0.00 0.00 179.24 177.80 1j21 n MET 300 N -4.35 0.23 -0.05 3.56 2.81 -0.94 -3.35 117.12 115.03 1j21 n MET 300 Ca -0.02 0.25 -0.01 0.00 -1.81 0.00 0.00 57.70 56.10 1j21 n MET 300 Cb 0.23 -1.80 -0.16 0.00 -0.71 0.00 0.00 33.22 30.78 1j21 n MET 300 CO 0.00 0.00 0.00 1.28 1.51 0.00 0.00 175.97 178.76 1j21 n LEU 301 N -2.21 0.09 -0.21 4.03 4.77 -0.60 -4.53 117.00 118.34 1j21 n LEU 301 Ca 0.05 0.04 -0.01 0.00 -0.03 0.00 0.00 56.01 56.06 1j21 n LEU 301 Cb 0.38 0.27 0.06 0.00 -2.33 0.00 0.00 43.42 41.80 1j21 n LEU 301 CO 0.28 0.28 0.74 0.28 -1.33 0.00 0.00 177.39 177.64 1j21 h SER 302 N 0.00 -0.58 -0.95 -1.43 0.02 -1.19 -1.31 113.55 108.11 1j21 h SER 302 Ca -0.31 0.19 0.12 0.00 -0.84 0.00 0.00 61.79 60.95 1j21 h SER 302 Cb 1.73 0.39 -0.08 0.00 0.14 0.00 0.00 62.40 64.58 1j21 h SER 302 CO 0.02 -0.21 0.60 -0.65 -1.14 0.00 0.00 176.83 175.46 1j21 h PRO 303 N -0.00 0.87 -0.43 3.45 0.11 -1.80 0.19 132.00 134.39 1j21 h PRO 303 Ca 0.30 -0.05 -0.08 0.00 0.11 0.00 0.00 66.00 66.28 1j21 h PRO 303 Cb 0.46 -0.20 -0.01 0.00 0.11 0.00 0.00 31.00 31.35 1j21 h PRO 303 CO -0.64 0.58 -0.02 -0.22 -0.21 0.00 0.00 178.00 177.48 1j21 h LYS 304 N 0.90 0.78 -0.82 1.05 1.63 -1.53 -1.53 116.57 117.05 1j21 h LYS 304 Ca 0.46 -0.26 -0.02 0.00 -0.85 0.00 0.00 60.65 59.98 1j21 h LYS 304 Cb 0.51 -0.06 -0.04 0.00 -0.60 0.00 0.00 32.23 32.04 1j21 h LYS 304 CO -0.22 0.86 0.42 -0.92 -3.45 0.00 0.00 179.45 176.14 1j21 h TYR 305 N 0.62 1.15 -0.31 1.91 3.20 -0.75 -2.12 116.97 120.67 1j21 h TYR 305 Ca 0.12 -0.04 0.02 0.00 3.14 0.00 0.00 58.73 61.96 1j21 h TYR 305 Cb 0.53 -0.36 -0.02 0.00 1.54 0.00 0.00 36.73 38.41 1j21 h TYR 305 CO 0.04 0.82 0.17 0.00 -1.64 0.00 0.00 178.16 177.55 1j21 h ALA 306 N 1.22 0.38 0.00 1.82 0.00 -0.16 -1.68 119.26 120.84 1j21 h ALA 306 Ca 0.28 -0.00 -0.07 0.00 0.00 0.00 0.00 54.91 55.12 1j21 h ALA 306 Cb 0.07 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 1j21 h ALA 306 CO -0.04 -0.20 -0.34 1.05 0.00 0.00 0.00 179.25 179.72 1j21 h GLU 307 N 0.35 0.00 -0.34 0.00 4.11 -1.10 -0.65 114.58 116.95 1j21 h GLU 307 Ca 0.12 0.00 -0.03 0.00 0.07 0.00 0.00 59.36 59.52 1j21 h GLU 307 Cb 0.02 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.25 1j21 h GLU 307 CO -0.07 0.34 0.09 -0.07 0.07 0.00 0.00 179.01 179.37 1j21 h LEU 308 N 0.00 0.51 -0.28 3.06 3.38 -0.72 0.21 115.31 121.47 1j21 h LEU 308 Ca -0.00 -0.22 -0.02 0.00 0.09 0.00 0.00 57.88 57.72 1j21 h LEU 308 Cb 0.74 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.35 1j21 h LEU 308 CO 0.04 0.60 0.09 0.58 0.09 0.00 0.00 178.44 179.85 1j21 h VAL 309 N 0.40 1.20 -0.54 1.22 2.07 -0.98 -0.14 116.25 119.47 1j21 h VAL 309 Ca 0.11 -0.63 0.02 0.00 0.82 0.00 0.00 66.70 67.02 1j21 h VAL 309 Cb 0.28 1.08 -0.03 0.00 -1.52 0.00 0.00 31.29 31.09 1j21 h VAL 309 CO -0.00 0.21 0.33 0.22 0.02 0.00 0.00 177.57 178.35 1j21 h TYR 310 N 0.30 0.63 0.00 1.57 3.20 -0.89 -2.57 116.97 119.22 1j21 h TYR 310 Ca 0.09 0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.98 1j21 h TYR 310 Cb 0.24 -0.21 0.00 0.00 1.54 0.00 0.00 36.73 38.30 1j21 h TYR 310 CO 0.00 0.37 0.00 1.88 -1.64 0.00 0.00 178.16 178.77 1j21 h TYR 311 N 0.67 0.00 0.00 -3.82 0.05 -0.48 -3.47 116.97 109.91 1j21 h TYR 311 Ca 0.21 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.99 1j21 h TYR 311 Cb -0.01 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.73 1j21 h TYR 311 CO -0.05 0.00 0.00 0.41 -1.05 0.00 0.00 178.16 177.47 1j21 n GLY 312 N 0.15 1.03 2.87 3.88 0.00 -0.90 -4.38 105.19 107.84 1j21 n GLY 312 Ca 0.01 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.60 1j21 n GLY 312 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1j21 n PHE 313 N -1.12 2.88 -0.08 1.61 3.01 -0.11 -4.52 117.46 119.13 1j21 n PHE 313 Ca 0.00 -2.77 -0.09 0.00 1.01 0.00 0.00 57.45 55.60 1j21 n PHE 313 Cb 0.00 -1.90 -0.04 0.00 -0.01 0.00 0.00 39.48 37.53 1j21 n PHE 313 CO 0.00 0.00 0.00 2.35 1.01 0.00 0.00 176.76 180.12 1j21 h TRP 314 N 5.72 0.00 -1.13 1.38 2.91 -1.89 -3.38 115.95 119.55 1j21 h TRP 314 Ca 0.38 0.00 -0.74 0.00 1.13 0.00 0.00 58.89 59.66 1j21 h TRP 314 Cb 0.63 0.00 -0.13 0.00 -0.51 0.00 0.00 29.16 29.15 1j21 h TRP 314 CO 1.23 0.43 2.33 0.66 -1.03 0.00 0.00 178.44 182.07 1j21 n TYR 315 N -4.58 2.83 -4.14 2.65 4.02 -1.26 -4.59 117.16 112.08 1j21 n TYR 315 Ca -0.13 -2.83 -0.16 0.00 -0.01 0.00 0.00 57.90 54.77 1j21 n TYR 315 Cb 0.36 -1.98 -0.12 0.00 -0.02 0.00 0.00 39.34 37.57 1j21 n TYR 315 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1j21 s ALA 316 N 0.20 0.80 0.28 -0.72 0.00 -1.26 -4.86 121.76 116.20 1j21 s ALA 316 Ca 0.46 -0.78 -0.02 0.00 0.00 0.00 0.00 51.96 51.62 1j21 s ALA 316 Cb 0.13 -0.04 0.41 0.00 0.00 0.00 0.00 23.12 23.62 1j21 s ALA 316 CO -0.04 0.08 1.93 -1.00 0.00 0.00 0.00 175.76 176.73 1j21 h PRO 317 N 4.67 1.14 -0.54 0.00 0.13 -1.93 -2.21 132.00 133.26 1j21 h PRO 317 Ca -0.37 -0.07 -0.04 0.00 -0.87 0.00 0.00 66.00 64.66 1j21 h PRO 317 Cb 1.19 -0.26 -0.03 0.00 0.13 0.00 0.00 31.00 32.04 1j21 h PRO 317 CO 0.42 0.75 0.17 0.93 -0.23 0.00 0.00 178.00 180.05 1j21 h GLU 318 N 1.17 0.79 -0.01 0.86 3.07 -1.96 -0.61 114.58 117.90 1j21 h GLU 318 Ca 0.36 -0.14 -0.24 0.00 -0.50 0.00 0.00 59.36 58.84 1j21 h GLU 318 Cb -0.02 -0.13 0.02 0.00 -0.84 0.00 0.00 28.75 27.78 1j21 h GLU 318 CO -0.10 0.68 -0.95 -0.09 -1.40 0.00 0.00 179.01 177.16 1j21 h ARG 319 N 0.78 0.66 0.00 2.33 1.12 -1.75 -2.37 114.38 115.14 1j21 h ARG 319 Ca 0.18 -0.70 -0.07 0.00 -1.11 0.00 0.00 59.98 58.28 1j21 h ARG 319 Cb 0.22 0.19 -0.01 0.00 -0.01 0.00 0.00 29.97 30.36 1j21 h ARG 319 CO -0.01 1.28 -0.35 0.93 -3.11 0.00 0.00 179.97 178.72 1j21 h GLU 320 N 0.31 0.00 0.03 0.20 5.08 -1.23 0.68 114.58 119.65 1j21 h GLU 320 Ca -0.12 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.24 1j21 h GLU 320 Cb 1.61 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.86 1j21 h GLU 320 CO 0.19 0.35 -0.01 0.00 -1.00 0.00 0.00 179.01 178.53 1j21 h ALA 321 N 1.65 -0.04 -0.64 3.43 0.00 -1.07 -2.59 119.26 120.01 1j21 h ALA 321 Ca -0.00 -0.23 0.01 0.00 0.00 0.00 0.00 54.91 54.69 1j21 h ALA 321 Cb 0.61 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.39 1j21 h ALA 321 CO 0.04 -0.29 0.42 -0.07 0.00 0.00 0.00 179.25 179.36 1j21 h LEU 322 N -0.51 0.72 -1.48 0.00 3.38 -1.22 -1.59 115.31 114.63 1j21 h LEU 322 Ca -0.00 -0.02 0.07 0.00 0.09 0.00 0.00 57.88 58.02 1j21 h LEU 322 Cb 0.47 -0.18 -0.04 0.00 0.09 0.00 0.00 40.66 41.00 1j21 h LEU 322 CO 0.01 0.52 0.44 -0.61 0.09 0.00 0.00 178.44 178.88 1j21 h GLN 323 N 0.85 0.60 -0.67 1.13 5.75 -0.65 0.23 115.11 122.36 1j21 h GLN 323 Ca 0.24 -0.04 -0.06 0.00 -0.15 0.00 0.00 58.65 58.65 1j21 h GLN 323 Cb -0.08 -0.14 -0.03 0.00 1.07 0.00 0.00 27.48 28.31 1j21 h GLN 323 CO -0.05 0.40 0.19 0.00 -2.65 0.00 0.00 178.83 176.72 1j21 h ALA 324 N 1.65 1.08 -0.00 3.38 0.00 -0.90 0.20 119.26 124.67 1j21 h ALA 324 Ca 0.29 -0.22 -0.00 0.00 0.00 0.00 0.00 54.91 54.98 1j21 h ALA 324 Cb 0.34 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 17.87 1j21 h ALA 324 CO -0.09 0.62 -0.00 -0.92 0.00 0.00 0.00 179.25 178.86 1j21 h TYR 325 N 0.99 0.01 -0.51 0.00 3.20 -0.95 -2.56 116.97 117.15 1j21 h TYR 325 Ca 0.22 -0.00 -0.03 0.00 3.14 0.00 0.00 58.73 62.05 1j21 h TYR 325 Cb 0.30 -0.00 -0.02 0.00 1.54 0.00 0.00 36.73 38.55 1j21 h TYR 325 CO 0.02 0.38 0.19 0.74 -1.64 0.00 0.00 178.16 177.85 1j21 h PHE 326 N -0.36 0.80 -0.73 -3.82 0.05 -1.00 -2.12 116.94 109.76 1j21 h PHE 326 Ca 0.00 -0.07 -0.02 0.00 3.82 0.00 0.00 57.97 61.70 1j21 h PHE 326 Cb 0.37 -0.24 -0.03 0.00 2.00 0.00 0.00 35.95 38.05 1j21 h PHE 326 CO 0.05 0.67 0.36 -0.44 -0.18 0.00 0.00 178.31 178.78 1j21 h ASP 327 N 0.69 0.93 0.05 2.17 3.45 -0.66 0.17 116.42 123.22 1j21 h ASP 327 Ca 0.17 -0.09 -0.00 0.00 0.43 0.00 0.00 57.03 57.53 1j21 h ASP 327 Cb 0.23 -0.24 0.00 0.00 -0.56 0.00 0.00 39.33 38.76 1j21 h ASP 327 CO -0.01 0.78 -0.02 -0.74 -1.57 0.00 0.00 179.24 177.67 1j21 h HIS 328 N 1.03 -0.06 -0.56 4.55 2.76 -1.18 -1.91 115.15 119.77 1j21 h HIS 328 Ca 0.25 -0.00 -0.08 0.00 -2.20 0.00 0.00 60.37 58.34 1j21 h HIS 328 Cb 0.08 0.02 -0.02 0.00 1.55 0.00 0.00 27.41 29.04 1j21 h HIS 328 CO 0.01 -0.00 0.04 0.28 -1.30 0.00 0.00 177.93 176.95 1j21 h VAL 329 N -0.10 1.26 -0.02 5.26 2.07 -1.05 -3.13 116.25 120.54 1j21 h VAL 329 Ca -0.01 -1.07 -0.04 0.00 0.82 0.00 0.00 66.70 66.40 1j21 h VAL 329 Cb 0.09 0.85 -0.01 0.00 -1.52 0.00 0.00 31.29 30.70 1j21 h VAL 329 CO 0.01 0.38 -0.20 0.00 0.02 0.00 0.00 177.57 177.79 1j21 h ALA 330 N 0.98 1.65 -0.37 1.67 0.00 -0.53 -2.93 119.26 119.72 1j21 h ALA 330 Ca 0.16 -0.19 0.11 0.00 0.00 0.00 0.00 54.91 54.99 1j21 h ALA 330 Cb 0.49 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 1j21 h ALA 330 CO 0.02 0.26 0.45 -0.09 0.00 0.00 0.00 179.25 179.89 1j21 h ARG 331 N 0.02 0.00 0.00 0.00 2.43 -1.29 0.25 114.38 115.79 1j21 h ARG 331 Ca 0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 1j21 h ARG 331 Cb 0.36 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.91 1j21 h ARG 331 CO 0.03 0.00 -0.36 0.43 -1.51 0.00 0.00 179.97 178.56 1j21 n SER 332 N -3.60 0.51 -4.57 -3.80 7.64 -1.11 -4.17 113.62 104.53 1j21 n SER 332 Ca 0.06 0.17 -0.37 0.00 1.01 0.00 0.00 58.87 59.74 1j21 n SER 332 Cb 0.61 -0.11 -0.03 0.00 -1.01 0.00 0.00 64.21 63.67 1j21 n SER 332 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 1j21 s VAL 333 N -3.07 3.83 -0.09 0.44 1.01 0.72 -4.85 120.40 118.40 1j21 s VAL 333 Ca 0.10 -0.90 -0.00 0.00 0.00 0.00 0.00 61.98 61.18 1j21 s VAL 333 Cb 0.16 -4.83 0.02 0.00 0.00 0.00 0.00 36.38 31.73 1j21 s VAL 333 CO 0.65 -1.68 -0.06 -0.89 0.00 0.00 0.00 175.10 173.12 1j21 s THR 334 N 6.33 0.82 -4.29 3.92 2.01 -1.26 -1.51 115.64 121.66 1j21 s THR 334 Ca 0.54 -0.19 0.00 0.00 0.31 0.00 0.00 61.69 62.35 1j21 s THR 334 Cb -0.01 -0.86 0.00 0.00 0.01 0.00 0.00 72.50 71.65 1j21 s THR 334 CO -0.03 0.32 0.00 0.61 -0.69 0.00 0.00 174.62 174.83 1j21 n GLY 335 N 4.73 -0.78 2.98 4.40 0.00 -0.75 -4.21 105.19 111.56 1j21 n GLY 335 Ca -0.14 -1.08 -0.19 0.00 0.00 0.00 0.00 46.02 44.61 1j21 n GLY 335 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1j21 s VAL 336 N -3.00 0.65 -0.07 1.61 1.01 0.17 -0.52 120.40 120.25 1j21 s VAL 336 Ca 0.00 -0.31 -0.00 0.00 0.00 0.00 0.00 61.98 61.67 1j21 s VAL 336 Cb 0.00 -0.58 -0.03 0.00 0.00 0.00 0.00 36.38 35.77 1j21 s VAL 336 CO 0.00 0.20 -0.04 0.00 0.00 0.00 0.00 175.10 175.27 1j21 s ALA 337 N 0.11 3.11 -0.21 5.51 0.00 -0.21 -1.13 121.76 128.95 1j21 s ALA 337 Ca -0.01 -0.86 -0.01 0.00 0.00 0.00 0.00 51.96 51.08 1j21 s ALA 337 Cb -0.07 -1.33 0.01 0.00 0.00 0.00 0.00 23.12 21.74 1j21 s ALA 337 CO 0.00 0.58 -0.12 0.50 0.00 0.00 0.00 175.76 176.72 1j21 s ARG 338 N -0.86 3.04 0.18 0.00 3.52 0.59 -1.32 118.95 124.10 1j21 s ARG 338 Ca 0.13 -0.82 0.11 0.00 -0.13 0.00 0.00 55.73 55.02 1j21 s ARG 338 Cb -0.11 -2.80 -0.04 0.00 -1.56 0.00 0.00 34.95 30.43 1j21 s ARG 338 CO 0.02 -0.26 -0.24 -0.51 -0.81 0.00 0.00 175.30 173.50 1j21 s LEU 339 N 1.35 2.45 -0.21 -0.88 1.02 0.31 -1.12 118.68 121.60 1j21 s LEU 339 Ca 0.04 -0.81 -0.03 0.00 0.02 0.00 0.00 54.13 53.34 1j21 s LEU 339 Cb -0.14 -1.22 -0.01 0.00 0.02 0.00 0.00 46.19 44.84 1j21 s LEU 339 CO -0.08 0.14 -0.07 -0.75 0.02 0.00 0.00 176.35 175.61 1j21 s LYS 340 N -2.52 3.33 -0.20 1.70 2.20 0.30 -1.18 119.74 123.37 1j21 s LYS 340 Ca 0.19 -0.66 -0.09 0.00 -0.36 0.00 0.00 55.97 55.06 1j21 s LYS 340 Cb -0.09 -2.92 -0.05 0.00 -1.51 0.00 0.00 37.83 33.27 1j21 s LYS 340 CO 0.09 -0.16 0.11 -0.51 -0.36 0.00 0.00 175.35 174.53 1j21 s LEU 341 N 1.35 4.07 -0.25 5.43 1.43 -0.08 -0.71 118.68 129.91 1j21 s LEU 341 Ca 0.04 0.16 -0.04 0.00 -1.03 0.00 0.00 54.13 53.27 1j21 s LEU 341 Cb -0.14 -2.05 0.14 0.00 0.03 0.00 0.00 46.19 44.16 1j21 s LEU 341 CO -0.04 0.16 0.47 -0.47 0.23 0.00 0.00 176.35 176.70 1j21 s TYR 342 N 0.49 -1.06 -0.73 0.29 5.04 -0.92 -1.71 117.35 118.76 1j21 s TYR 342 Ca 0.06 1.35 -0.03 0.00 -2.44 0.00 0.00 57.07 56.01 1j21 s TYR 342 Cb -0.12 0.29 0.00 0.00 0.35 0.00 0.00 41.96 42.49 1j21 s TYR 342 CO -0.00 -0.70 0.55 1.63 -1.34 0.00 0.00 175.55 175.69 1j21 n LYS 343 N 5.39 -1.43 0.00 4.97 5.02 -1.25 -1.78 118.16 129.08 1j21 n LYS 343 Ca -0.05 0.72 0.00 0.00 -2.02 0.00 0.00 58.31 56.96 1j21 n LYS 343 Cb 0.50 -1.99 0.00 0.00 -0.02 0.00 0.00 35.03 33.52 1j21 n LYS 343 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1j21 n GLY 344 N -1.44 3.05 3.89 0.72 0.00 0.31 -4.90 105.19 106.81 1j21 n GLY 344 Ca -0.28 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.48 1j21 n GLY 344 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1j21 s ASN 345 N -1.22 6.01 -0.16 1.61 3.84 -0.74 -4.24 114.94 120.04 1j21 s ASN 345 Ca 0.00 0.04 0.00 0.00 0.21 0.00 0.00 52.86 53.11 1j21 s ASN 345 Cb 0.00 -1.72 0.03 0.00 -0.55 0.00 0.00 41.25 39.01 1j21 s ASN 345 CO 0.00 0.05 -0.13 -0.69 -2.79 0.00 0.00 177.10 173.54 1j21 s VAL 346 N -1.78 1.54 -0.11 -5.21 1.01 -1.26 -2.15 120.40 112.44 1j21 s VAL 346 Ca 0.33 -0.70 0.02 0.00 0.00 0.00 0.00 61.98 61.63 1j21 s VAL 346 Cb -0.10 -1.50 -0.01 0.00 0.00 0.00 0.00 36.38 34.77 1j21 s VAL 346 CO 0.27 0.37 -0.20 -0.31 0.00 0.00 0.00 175.10 175.23 1j21 s TYR 347 N 1.48 2.66 -0.01 5.22 1.51 0.11 -4.96 117.35 123.37 1j21 s TYR 347 Ca 0.03 -0.89 -0.30 0.00 -1.01 0.00 0.00 57.07 54.90 1j21 s TYR 347 Cb -0.14 -1.76 -0.03 0.00 -0.11 0.00 0.00 41.96 39.92 1j21 s TYR 347 CO -0.10 -0.34 0.99 0.08 -1.11 0.00 0.00 175.55 175.07 1j21 s VAL 348 N 0.35 4.82 0.00 0.71 1.01 -1.26 0.11 120.40 126.14 1j21 s VAL 348 Ca -0.16 2.03 0.00 0.00 0.00 0.00 0.00 61.98 63.85 1j21 s VAL 348 Cb -0.17 -4.30 0.00 0.00 0.00 0.00 0.00 36.38 31.91 1j21 s VAL 348 CO 0.08 0.15 0.00 1.33 0.00 0.00 0.00 175.10 176.65 1j21 n VAL 349 N 3.95 0.00 -3.53 2.92 0.24 -0.28 -4.89 118.33 116.75 1j21 n VAL 349 Ca 0.06 -0.41 -0.08 0.00 -2.04 0.00 0.00 64.34 61.87 1j21 n VAL 349 Cb 0.51 1.00 -0.02 0.00 -1.47 0.00 0.00 33.84 33.85 1j21 n VAL 349 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 1j21 s GLY 350 N -0.83 -0.41 -0.13 7.63 0.00 -0.88 -5.00 107.32 107.70 1j21 s GLY 350 Ca 0.00 1.25 -0.29 0.00 0.00 0.00 0.00 44.72 45.68 1j21 s GLY 350 CO 0.00 0.47 0.75 1.09 0.00 0.00 0.00 173.10 175.40 1j21 s ARG 351 N -2.72 0.92 0.04 2.90 3.03 -1.26 -0.30 118.95 121.56 1j21 s ARG 351 Ca 0.05 0.46 -0.10 0.00 2.03 0.00 0.00 55.73 58.16 1j21 s ARG 351 Cb -0.01 0.44 0.01 0.00 -1.03 0.00 0.00 34.95 34.36 1j21 s ARG 351 CO -0.07 -0.24 0.22 -1.59 -1.13 0.00 0.00 175.30 172.49 1j21 s LYS 352 N -0.69 0.72 -0.16 3.89 -2.85 -0.28 -5.00 119.74 115.37 1j21 s LYS 352 Ca -0.06 -0.61 -0.12 0.00 -1.00 0.00 0.00 55.97 54.17 1j21 s LYS 352 Cb -0.02 0.30 0.05 0.00 -2.06 0.00 0.00 37.83 36.10 1j21 s LYS 352 CO 0.06 -0.21 0.41 0.00 0.10 0.00 0.00 175.35 175.70 1j21 s ALA 353 N -2.59 -1.02 0.41 0.59 0.00 -1.26 -0.65 121.76 117.24 1j21 s ALA 353 Ca -0.05 1.28 0.08 0.00 0.00 0.00 0.00 51.96 53.27 1j21 s ALA 353 Cb -0.01 -0.76 0.87 0.00 0.00 0.00 0.00 23.12 23.23 1j21 s ALA 353 CO -0.04 -0.22 2.04 -1.00 0.00 0.00 0.00 175.76 176.55 1j21 h PRO 354 N 6.07 0.46 -1.24 0.00 0.13 -1.98 -2.65 132.00 132.80 1j21 h PRO 354 Ca -0.30 -0.04 -0.60 0.00 -0.87 0.00 0.00 66.00 64.18 1j21 h PRO 354 Cb 1.18 -0.10 -0.39 0.00 0.13 0.00 0.00 31.00 31.82 1j21 h PRO 354 CO 0.27 0.34 -0.40 1.63 -0.23 0.00 0.00 178.00 179.61 1j21 n LYS 355 N -4.45 3.35 -1.95 0.86 5.02 -1.26 -5.06 118.16 114.67 1j21 n LYS 355 Ca 0.02 -4.15 -0.41 0.00 -2.02 0.00 0.00 58.31 51.75 1j21 n LYS 355 Cb 0.09 -2.27 -0.01 0.00 -0.02 0.00 0.00 35.03 32.83 1j21 n LYS 355 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 1j21 s SER 356 N -3.12 6.54 0.00 4.39 0.15 -1.00 -4.75 113.70 115.92 1j21 s SER 356 Ca 0.51 2.88 0.20 0.00 0.70 0.00 0.00 55.95 60.24 1j21 s SER 356 Cb 0.42 -2.66 0.53 0.00 -1.71 0.00 0.00 66.02 62.60 1j21 s SER 356 CO -0.11 -0.72 1.44 0.18 1.20 0.00 0.00 173.24 175.23 1j21 n LEU 357 N 0.61 2.86 -4.70 3.45 4.77 0.38 -4.88 117.00 119.49 1j21 n LEU 357 Ca 0.01 -1.32 -0.39 0.00 -0.03 0.00 0.00 56.01 54.28 1j21 n LEU 357 Cb 0.40 -0.27 -0.06 0.00 -2.33 0.00 0.00 43.42 41.16 1j21 n LEU 357 CO 0.62 0.66 0.27 -0.47 -1.33 0.00 0.00 177.39 177.13 1j21 s TYR 358 N -1.45 3.49 0.00 -1.77 5.04 -1.26 -5.10 117.35 116.31 1j21 s TYR 358 Ca 0.37 0.97 0.00 0.00 -2.44 0.00 0.00 57.07 55.97 1j21 s TYR 358 Cb 0.20 -2.67 0.00 0.00 0.35 0.00 0.00 41.96 39.85 1j21 s TYR 358 CO 0.28 0.07 0.00 0.54 -1.34 0.00 0.00 175.55 175.09 1j21 n ARG 359 N 4.03 0.00 -1.74 4.97 1.74 -1.26 -5.18 116.66 119.23 1j21 n ARG 359 Ca -0.04 0.00 -0.20 0.00 -0.77 0.00 0.00 57.85 56.83 1j21 n ARG 359 Cb 0.51 0.00 -0.07 0.00 -1.02 0.00 0.00 32.46 31.88 1j21 n ARG 359 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1j21 n GLY 370 N 4.20 1.51 2.97 -0.13 0.00 -1.26 -5.32 105.19 107.17 1j21 n GLY 370 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.71 1j21 n GLY 370 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1j21 s TYR 371 N -2.78 3.42 -0.26 1.61 5.04 -1.26 -5.08 117.35 118.05 1j21 s TYR 371 Ca 0.00 -2.90 -0.07 0.00 -2.44 0.00 0.00 57.07 51.66 1j21 s TYR 371 Cb 0.00 -2.76 -0.02 0.00 0.35 0.00 0.00 41.96 39.53 1j21 s TYR 371 CO 0.00 -0.90 0.07 0.34 -1.34 0.00 0.00 175.55 173.72 1j21 s ASP 372 N 0.76 5.11 0.43 4.32 3.68 -1.26 -5.00 116.67 124.70 1j21 s ASP 372 Ca 0.12 -0.30 0.22 0.00 2.13 0.00 0.00 52.55 54.71 1j21 s ASP 372 Cb -0.20 -1.91 1.18 0.00 -1.45 0.00 0.00 42.92 40.54 1j21 s ASP 372 CO -0.08 -0.07 1.80 0.06 0.13 0.00 0.00 175.17 177.01 1j21 h GLN 373 N 8.24 0.31 0.00 4.34 -0.00 -2.03 0.10 115.11 126.07 1j21 h GLN 373 Ca -0.37 -0.02 -0.01 0.00 -0.00 0.00 0.00 58.65 58.25 1j21 h GLN 373 Cb 1.17 -0.07 -0.00 0.00 -0.00 0.00 0.00 27.48 28.57 1j21 h GLN 373 CO 0.59 0.20 -0.05 -0.22 -0.00 0.00 0.00 178.83 179.35 1j21 h LYS 374 N 0.32 0.00 -0.48 0.06 1.63 -2.03 -0.99 116.57 115.08 1j21 h LYS 374 Ca 0.56 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 60.36 1j21 h LYS 374 Cb 1.56 0.00 -0.02 0.00 -0.60 0.00 0.00 32.23 33.17 1j21 h LYS 374 CO -0.22 0.05 0.31 -0.44 -3.45 0.00 0.00 179.45 175.70 1j21 h ASP 375 N 0.00 0.55 -0.64 4.20 3.45 -1.21 -2.54 116.42 120.23 1j21 h ASP 375 Ca -0.00 -0.02 0.09 0.00 0.43 0.00 0.00 57.03 57.53 1j21 h ASP 375 Cb 0.22 -0.14 -0.07 0.00 -0.56 0.00 0.00 39.33 38.78 1j21 h ASP 375 CO 0.01 0.41 0.28 0.00 -1.57 0.00 0.00 179.24 178.36 1j21 h ALA 376 N 1.69 0.85 -0.96 3.45 0.00 -1.30 -1.52 119.26 121.47 1j21 h ALA 376 Ca 0.17 0.07 0.04 0.00 0.00 0.00 0.00 54.91 55.19 1j21 h ALA 376 Cb -0.06 0.01 -0.06 0.00 0.00 0.00 0.00 17.79 17.68 1j21 h ALA 376 CO -0.04 -0.13 0.62 1.49 0.00 0.00 0.00 179.25 181.20 1j21 h GLU 377 N 0.49 1.16 -0.50 0.00 4.81 -1.56 0.32 114.58 119.30 1j21 h GLU 377 Ca 0.32 -0.07 -0.12 0.00 -0.13 0.00 0.00 59.36 59.36 1j21 h GLU 377 Cb 0.36 -0.26 -0.02 0.00 0.63 0.00 0.00 28.75 29.46 1j21 h GLU 377 CO -0.28 0.77 -0.16 0.78 -0.73 0.00 0.00 179.01 179.39 1j21 h GLY 378 N 1.20 1.04 0.83 1.92 0.00 -1.38 -1.12 103.07 105.57 1j21 h GLY 378 Ca 0.39 -0.87 0.01 0.00 0.00 0.00 0.00 47.33 46.86 1j21 h GLY 378 CO -0.13 0.79 -0.10 -2.75 0.00 0.00 0.00 176.54 174.35 1j21 h PHE 379 N 0.85 -0.27 -0.53 5.60 3.57 -0.51 -2.52 116.94 123.13 1j21 h PHE 379 Ca 0.12 0.00 0.02 0.00 3.53 0.00 0.00 57.97 61.65 1j21 h PHE 379 Cb 0.71 0.11 -0.03 0.00 2.79 0.00 0.00 35.95 39.53 1j21 h PHE 379 CO 0.05 -0.16 0.32 0.82 -2.23 0.00 0.00 178.31 177.11 1j21 h ILE 380 N -0.22 1.07 -0.61 1.41 2.04 -0.80 -2.03 117.51 118.38 1j21 h ILE 380 Ca 0.01 -0.22 -0.01 0.00 1.00 0.00 0.00 64.86 65.64 1j21 h ILE 380 Cb 0.22 0.37 -0.03 0.00 -0.74 0.00 0.00 36.82 36.64 1j21 h ILE 380 CO -0.05 0.12 0.34 0.11 0.00 0.00 0.00 178.15 178.67 1j21 h LYS 381 N 0.65 0.84 -0.43 2.37 1.79 -1.05 0.43 116.57 121.17 1j21 h LYS 381 Ca 0.21 -0.09 -0.09 0.00 -2.18 0.00 0.00 60.65 58.50 1j21 h LYS 381 Cb 0.00 -0.17 -0.01 0.00 -1.58 0.00 0.00 32.23 30.47 1j21 h LYS 381 CO -0.09 0.63 -0.08 0.82 -1.08 0.00 0.00 179.45 179.65 1j21 h ILE 382 N 0.82 1.27 -0.42 1.86 1.08 -1.33 -1.94 117.51 118.85 1j21 h ILE 382 Ca 0.22 -1.18 -0.05 0.00 -0.39 0.00 0.00 64.86 63.46 1j21 h ILE 382 Cb 0.02 1.15 -0.02 0.00 -3.07 0.00 0.00 36.82 34.90 1j21 h ILE 382 CO -0.04 0.40 0.07 1.56 -0.69 0.00 0.00 178.15 179.45 1j21 h GLN 383 N 0.65 0.64 0.00 2.37 1.08 -1.16 -2.94 115.11 115.75 1j21 h GLN 383 Ca 0.11 -0.13 -0.02 0.00 -1.45 0.00 0.00 58.65 57.16 1j21 h GLN 383 Cb 0.61 -0.10 -0.00 0.00 -0.05 0.00 0.00 27.48 27.94 1j21 h GLN 383 CO 0.04 0.61 -0.10 0.00 -0.95 0.00 0.00 178.83 178.43 1j21 h ALA 384 N 1.46 0.95 -0.45 3.87 0.00 -0.62 -3.39 119.26 121.08 1j21 h ALA 384 Ca 0.14 -0.10 0.05 0.00 0.00 0.00 0.00 54.91 55.00 1j21 h ALA 384 Cb 0.28 -0.02 -0.08 0.00 0.00 0.00 0.00 17.79 17.98 1j21 h ALA 384 CO 0.00 0.13 -0.52 1.25 0.00 0.00 0.00 179.25 180.11 1j21 h LEU 385 N 0.00 -1.76 -1.70 0.00 5.85 -1.17 -0.51 115.31 116.02 1j21 h LEU 385 Ca -0.00 0.24 0.09 0.00 0.84 0.00 0.00 57.88 59.05 1j21 h LEU 385 Cb 0.97 0.73 -0.03 0.00 0.37 0.00 0.00 40.66 42.70 1j21 h LEU 385 CO 0.01 -0.35 0.37 0.08 -0.34 0.00 0.00 178.44 178.21 1j21 h ARG 386 N -0.32 0.33 -0.34 1.25 0.11 -1.79 -1.01 114.38 112.61 1j21 h ARG 386 Ca 0.08 -0.02 -0.12 0.00 0.10 0.00 0.00 59.98 60.01 1j21 h ARG 386 Cb 0.53 -0.07 -0.01 0.00 1.11 0.00 0.00 29.97 31.53 1j21 h ARG 386 CO -0.59 0.22 -0.27 -0.07 0.10 0.00 0.00 179.97 179.36 1j21 h LEU 387 N 0.34 0.83 -0.31 0.08 3.38 -1.40 -2.16 115.31 116.07 1j21 h LEU 387 Ca 0.25 -0.45 -0.03 0.00 0.09 0.00 0.00 57.88 57.74 1j21 h LEU 387 Cb 0.53 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.04 1j21 h LEU 387 CO -0.06 1.10 0.08 0.03 0.09 0.00 0.00 178.44 179.68 1j21 h ARG 388 N 0.57 0.50 -0.70 1.13 3.08 -0.05 -2.06 114.38 116.85 1j21 h ARG 388 Ca 0.06 -0.12 0.05 0.00 0.07 0.00 0.00 59.98 60.05 1j21 h ARG 388 Cb 0.84 -0.07 -0.05 0.00 0.08 0.00 0.00 29.97 30.77 1j21 h ARG 388 CO 0.07 0.56 0.41 0.28 -1.07 0.00 0.00 179.97 180.22 1j21 h VAL 389 N 0.35 1.01 -0.31 2.04 2.07 -1.22 -0.14 116.25 120.05 1j21 h VAL 389 Ca 0.10 -0.26 0.02 0.00 0.82 0.00 0.00 66.70 67.37 1j21 h VAL 389 Cb 0.28 0.18 -0.02 0.00 -1.52 0.00 0.00 31.29 30.20 1j21 h VAL 389 CO 0.00 0.14 0.16 -0.09 0.02 0.00 0.00 177.57 177.80 1j21 h ARG 390 N 0.77 0.33 -0.33 1.57 2.43 -1.15 -0.14 114.38 117.86 1j21 h ARG 390 Ca 0.30 -0.02 -0.04 0.00 -0.81 0.00 0.00 59.98 59.42 1j21 h ARG 390 Cb 0.14 -0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 29.60 1j21 h ARG 390 CO -0.16 0.22 0.06 0.00 -1.51 0.00 0.00 179.97 178.58 1j21 h ALA 391 N 1.15 0.43 -0.66 2.80 0.00 -0.87 -1.93 119.26 120.19 1j21 h ALA 391 Ca 0.13 -0.19 0.03 0.00 0.00 0.00 0.00 54.91 54.88 1j21 h ALA 391 Cb 0.03 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 17.65 1j21 h ALA 391 CO -0.08 0.12 0.41 -0.07 0.00 0.00 0.00 179.25 179.63 1j21 h LEU 392 N 0.37 0.66 -1.31 0.00 3.38 -0.77 -0.88 115.31 116.76 1j21 h LEU 392 Ca 0.10 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 58.04 1j21 h LEU 392 Cb 0.33 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 40.93 1j21 h LEU 392 CO 0.00 0.45 0.07 0.58 0.09 0.00 0.00 178.44 179.64 1j21 h VAL 393 N 0.79 1.18 0.00 1.22 2.07 -0.85 1.20 116.25 121.85 1j21 h VAL 393 Ca 0.27 -0.64 0.00 0.00 0.82 0.00 0.00 66.70 67.15 1j21 h VAL 393 Cb 0.04 0.83 0.00 0.00 -1.52 0.00 0.00 31.29 30.64 1j21 h VAL 393 CO -0.12 0.23 0.00 -0.62 0.02 0.00 0.00 177.57 177.08 1j21 n GLU 394 N -4.33 0.11 -0.38 1.57 -0.58 -0.38 -5.11 120.64 111.55 1j21 n GLU 394 Ca 0.02 0.21 0.00 0.00 -0.42 0.00 0.00 57.16 56.97 1j21 n GLU 394 Cb 0.20 -1.50 0.00 0.00 -0.57 0.00 0.00 31.44 29.57 1j21 n GLU 394 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19