#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 2.68 -0.11 2.12 1.02 -1.26 -0.57 119.74 123.62 1j21 s LYS 2 Ca 0.00 -0.84 0.01 0.00 0.02 0.00 0.00 55.97 55.16 1j21 s LYS 2 Cb 0.00 -2.27 0.02 0.00 -0.52 0.00 0.00 37.83 35.06 1j21 s LYS 2 CO 0.00 0.39 -0.13 0.42 -0.92 0.00 0.00 175.35 175.11 1j21 s ILE 3 N -0.16 1.33 -0.34 2.17 1.01 -0.45 -2.98 121.20 121.78 1j21 s ILE 3 Ca -0.03 -0.53 -0.18 0.00 0.00 0.00 0.00 60.65 59.91 1j21 s ILE 3 Cb -0.14 -1.24 -0.01 0.00 0.01 0.00 0.00 42.46 41.08 1j21 s ILE 3 CO 0.04 0.41 0.53 -0.69 0.00 0.00 0.00 174.94 175.23 1j21 s VAL 4 N 1.14 5.01 -0.15 2.92 1.01 -0.39 -1.07 120.40 128.86 1j21 s VAL 4 Ca -0.04 0.47 -0.07 0.00 0.00 0.00 0.00 61.98 62.34 1j21 s VAL 4 Cb -0.14 -3.96 -0.04 0.00 0.00 0.00 0.00 36.38 32.24 1j21 s VAL 4 CO -0.03 -0.18 0.08 -0.22 0.00 0.00 0.00 175.10 174.75 1j21 s LEU 5 N 2.43 3.95 -0.61 3.92 2.96 0.18 -0.69 118.68 130.82 1j21 s LEU 5 Ca 0.20 0.20 -0.28 0.00 -0.22 0.00 0.00 54.13 54.03 1j21 s LEU 5 Cb -0.15 -1.98 0.02 0.00 0.50 0.00 0.00 46.19 44.58 1j21 s LEU 5 CO 0.13 0.26 1.36 0.00 -1.32 0.00 0.00 176.35 176.78 1j21 s ALA 6 N -0.14 2.80 -0.33 5.97 0.00 0.22 -0.81 121.76 129.47 1j21 s ALA 6 Ca 0.08 -0.87 -0.10 0.00 0.00 0.00 0.00 51.96 51.07 1j21 s ALA 6 Cb -0.12 -4.14 0.01 0.00 0.00 0.00 0.00 23.12 18.87 1j21 s ALA 6 CO 0.01 -3.01 0.16 -0.47 0.00 0.00 0.00 175.76 172.45 1j21 s TYR 7 N 5.91 3.20 -0.46 0.00 5.04 0.14 -4.49 117.35 126.69 1j21 s TYR 7 Ca 0.47 -0.77 0.24 0.00 -2.44 0.00 0.00 57.07 54.57 1j21 s TYR 7 Cb -0.09 -2.37 0.28 0.00 0.35 0.00 0.00 41.96 40.13 1j21 s TYR 7 CO 0.22 -0.54 1.36 0.66 -1.34 0.00 0.00 175.55 175.91 1j21 h SER 8 N 8.36 0.00 0.00 4.32 4.64 -1.93 -3.34 113.55 125.61 1j21 h SER 8 Ca -0.30 -0.06 0.00 0.00 -0.47 0.00 0.00 61.79 60.97 1j21 h SER 8 Cb 1.13 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.22 1j21 h SER 8 CO 0.63 0.03 0.00 0.61 -0.87 0.00 0.00 176.83 177.23 1j21 n GLY 9 N 1.22 1.76 0.00 -0.77 0.00 -1.26 -4.96 105.19 101.18 1j21 n GLY 9 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.05 1j21 n GLY 9 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1j21 n GLY 10 N -1.97 -1.99 0.07 -0.02 0.00 -1.26 -4.84 105.19 95.17 1j21 n GLY 10 Ca 0.00 -1.52 -0.13 0.00 0.00 0.00 0.00 46.02 44.37 1j21 n GLY 10 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1j21 h LEU 11 N 0.00 -0.05 -0.75 0.99 5.85 -1.98 -2.93 115.31 116.44 1j21 h LEU 11 Ca 0.00 -0.35 -0.00 0.00 0.84 0.00 0.00 57.88 58.37 1j21 h LEU 11 Cb 0.00 0.01 -0.04 0.00 0.37 0.00 0.00 40.66 41.01 1j21 h LEU 11 CO 0.00 0.33 0.47 0.44 -0.34 0.00 0.00 178.44 179.34 1j21 h ASP 12 N -0.44 0.90 0.91 1.25 3.32 -1.99 -0.31 116.42 120.06 1j21 h ASP 12 Ca -0.01 -0.05 -0.06 0.00 0.02 0.00 0.00 57.03 56.93 1j21 h ASP 12 Cb 0.40 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 39.71 1j21 h ASP 12 CO 0.01 0.68 -0.27 0.71 -1.72 0.00 0.00 179.24 178.66 1j21 h THR 13 N 1.03 0.65 -0.13 0.35 1.35 -1.94 0.60 112.91 114.81 1j21 h THR 13 Ca 0.27 -1.24 -0.18 0.00 -0.55 0.00 0.00 66.41 64.71 1j21 h THR 13 Cb -0.06 1.82 0.01 0.00 -1.73 0.00 0.00 68.15 68.19 1j21 h THR 13 CO -0.05 0.26 -0.60 0.28 -0.25 0.00 0.00 175.52 175.16 1j21 h SER 14 N 0.00 0.76 -0.58 5.36 0.02 -1.23 -1.14 113.55 116.74 1j21 h SER 14 Ca -0.00 -0.63 -0.01 0.00 -0.84 0.00 0.00 61.79 60.31 1j21 h SER 14 Cb 0.80 -0.22 -0.03 0.00 0.14 0.00 0.00 62.40 63.09 1j21 h SER 14 CO 0.03 1.26 0.31 0.40 -1.14 0.00 0.00 176.83 177.70 1j21 h ILE 15 N 0.31 1.19 -0.78 3.27 2.04 -0.79 -2.54 117.51 120.21 1j21 h ILE 15 Ca -0.04 -0.50 -0.02 0.00 1.00 0.00 0.00 64.86 65.30 1j21 h ILE 15 Cb 1.24 0.47 -0.04 0.00 -0.74 0.00 0.00 36.82 37.75 1j21 h ILE 15 CO 0.13 0.21 0.40 0.40 0.00 0.00 0.00 178.15 179.29 1j21 h ILE 16 N 0.78 1.24 -0.35 -0.67 2.04 -0.81 -0.17 117.51 119.57 1j21 h ILE 16 Ca 0.20 -0.63 0.01 0.00 1.00 0.00 0.00 64.86 65.45 1j21 h ILE 16 Cb 0.06 0.22 -0.02 0.00 -0.74 0.00 0.00 36.82 36.33 1j21 h ILE 16 CO -0.03 0.27 0.21 0.25 0.00 0.00 0.00 178.15 178.85 1j21 h LEU 17 N 1.09 0.34 -0.14 1.44 6.46 -0.79 0.63 115.31 124.34 1j21 h LEU 17 Ca 0.27 0.00 -0.02 0.00 -0.12 0.00 0.00 57.88 58.01 1j21 h LEU 17 Cb 0.07 -0.07 -0.01 0.00 -0.73 0.00 0.00 40.66 39.93 1j21 h LEU 17 CO -0.04 0.24 0.01 0.11 -0.62 0.00 0.00 178.44 178.15 1j21 h LYS 18 N 0.42 0.24 -0.56 1.25 1.79 -1.24 -2.86 116.57 115.61 1j21 h LYS 18 Ca 0.14 -0.07 0.10 0.00 -2.18 0.00 0.00 60.65 58.64 1j21 h LYS 18 Cb 0.00 -0.03 -0.08 0.00 -1.58 0.00 0.00 32.23 30.54 1j21 h LYS 18 CO -0.06 0.44 0.10 2.35 -1.08 0.00 0.00 179.45 181.20 1j21 h TRP 19 N -0.00 0.15 -0.58 -1.35 7.01 -0.63 -2.36 115.95 118.19 1j21 h TRP 19 Ca 0.04 0.03 -0.02 0.00 2.11 0.00 0.00 58.89 61.06 1j21 h TRP 19 Cb 0.33 0.02 -0.03 0.00 -2.10 0.00 0.00 29.16 27.38 1j21 h TRP 19 CO 0.02 -0.04 0.29 -0.07 -2.79 0.00 0.00 178.44 175.86 1j21 h LEU 20 N 0.23 0.75 0.20 0.65 3.38 -0.86 0.14 115.31 119.80 1j21 h LEU 20 Ca 0.29 -0.12 -0.00 0.00 0.09 0.00 0.00 57.88 58.14 1j21 h LEU 20 Cb 0.42 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.97 1j21 h LEU 20 CO -0.39 0.66 -0.14 0.11 0.09 0.00 0.00 178.44 178.77 1j21 h LYS 21 N 0.79 -0.33 -0.14 1.13 1.57 -1.20 -1.05 116.57 117.34 1j21 h LYS 21 Ca 0.20 0.02 -0.19 0.00 -1.87 0.00 0.00 60.65 58.81 1j21 h LYS 21 Cb 0.10 0.08 0.00 0.00 0.08 0.00 0.00 32.23 32.48 1j21 h LYS 21 CO -0.03 -0.22 -0.70 1.49 -0.57 0.00 0.00 179.45 179.41 1j21 h GLU 22 N -0.35 0.60 -0.25 3.15 4.81 -1.40 0.12 114.58 121.27 1j21 h GLU 22 Ca -0.01 -0.46 -0.11 0.00 -0.13 0.00 0.00 59.36 58.64 1j21 h GLU 22 Cb 0.30 0.09 -0.00 0.00 0.63 0.00 0.00 28.75 29.77 1j21 h GLU 22 CO 0.00 1.09 -0.29 1.15 -0.73 0.00 0.00 179.01 180.23 1j21 h THR 23 N 0.42 1.31 -0.21 0.32 2.02 -0.68 -3.27 112.91 112.83 1j21 h THR 23 Ca -0.03 -1.47 0.00 0.00 0.77 0.00 0.00 66.41 65.68 1j21 h THR 23 Cb 1.30 1.69 0.00 0.00 -1.74 0.00 0.00 68.15 69.39 1j21 h THR 23 CO 0.13 0.46 0.00 -1.22 0.37 0.00 0.00 175.52 175.27 1j21 n TYR 24 N -4.30 0.26 -3.92 3.16 4.02 -0.40 -4.97 117.16 111.02 1j21 n TYR 24 Ca -0.05 -0.16 -0.25 0.00 -0.01 0.00 0.00 57.90 57.44 1j21 n TYR 24 Cb 0.47 -0.00 -0.01 0.00 -0.02 0.00 0.00 39.34 39.78 1j21 n TYR 24 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 176.86 176.39 1j21 n ARG 25 N 1.19 -3.66 -4.41 -0.72 1.74 0.39 -4.88 116.66 106.30 1j21 n ARG 25 Ca 0.15 0.45 -0.20 0.00 -0.77 0.00 0.00 57.85 57.47 1j21 n ARG 25 Cb 0.52 -4.71 -0.10 0.00 -1.02 0.00 0.00 32.46 27.15 1j21 n ARG 25 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1j21 s ALA 26 N -3.86 2.22 0.07 7.54 0.00 -0.99 -4.44 121.76 122.30 1j21 s ALA 26 Ca 0.05 -1.91 -0.05 0.00 0.00 0.00 0.00 51.96 50.06 1j21 s ALA 26 Cb -0.03 0.80 -0.05 0.00 0.00 0.00 0.00 23.12 23.84 1j21 s ALA 26 CO 0.87 -0.36 0.31 -1.83 0.00 0.00 0.00 175.76 174.75 1j21 s GLU 27 N -3.92 3.58 -0.15 0.00 -1.05 0.27 -4.35 118.70 113.07 1j21 s GLU 27 Ca 0.36 -0.14 -0.00 0.00 -0.15 0.00 0.00 54.97 55.04 1j21 s GLU 27 Cb 0.08 -2.98 -0.01 0.00 -0.44 0.00 0.00 34.13 30.78 1j21 s GLU 27 CO 0.15 0.57 -0.14 0.08 0.95 0.00 0.00 175.26 176.87 1j21 s VAL 28 N -1.48 2.86 -0.33 1.83 1.01 -1.26 -1.34 120.40 121.68 1j21 s VAL 28 Ca 0.34 -0.71 -0.12 0.00 0.00 0.00 0.00 61.98 61.49 1j21 s VAL 28 Cb -0.13 -2.21 -0.01 0.00 0.00 0.00 0.00 36.38 34.03 1j21 s VAL 28 CO 0.22 0.51 0.21 -0.63 0.00 0.00 0.00 175.10 175.41 1j21 s ILE 29 N 0.68 5.05 0.06 2.22 1.09 -0.23 -0.85 121.20 129.23 1j21 s ILE 29 Ca -0.07 -0.32 -0.22 0.00 -1.10 0.00 0.00 60.65 58.95 1j21 s ILE 29 Cb -0.15 -3.61 -0.06 0.00 -1.06 0.00 0.00 42.46 37.58 1j21 s ILE 29 CO 0.02 -0.00 0.66 0.00 -0.10 0.00 0.00 174.94 175.52 1j21 s ALA 30 N 1.68 3.48 -0.14 9.38 0.00 0.15 -0.64 121.76 135.67 1j21 s ALA 30 Ca 0.05 0.16 0.00 0.00 0.00 0.00 0.00 51.96 52.17 1j21 s ALA 30 Cb -0.17 -2.81 0.03 0.00 0.00 0.00 0.00 23.12 20.16 1j21 s ALA 30 CO 0.09 0.23 -0.11 0.12 0.00 0.00 0.00 175.76 176.09 1j21 s PHE 31 N -0.60 1.94 -0.12 0.00 5.36 0.01 0.13 117.98 124.70 1j21 s PHE 31 Ca 0.33 -1.10 0.02 0.00 -0.96 0.00 0.00 56.93 55.23 1j21 s PHE 31 Cb -0.20 -1.46 -0.00 0.00 -0.34 0.00 0.00 43.02 41.01 1j21 s PHE 31 CO 0.21 -0.62 -0.19 0.99 -1.46 0.00 0.00 175.22 174.14 1j21 s THR 32 N 1.56 2.46 -0.09 0.12 2.01 0.14 -0.68 115.64 121.16 1j21 s THR 32 Ca 0.04 -0.87 -0.00 0.00 0.31 0.00 0.00 61.69 61.17 1j21 s THR 32 Cb -0.13 -1.99 -0.03 0.00 0.01 0.00 0.00 72.50 70.36 1j21 s THR 32 CO -0.09 0.54 -0.07 0.00 -0.69 0.00 0.00 174.62 174.31 1j21 s ALA 33 N 0.47 2.95 -0.44 7.40 0.00 -1.26 -1.94 121.76 128.94 1j21 s ALA 33 Ca -0.13 -0.87 -0.17 0.00 0.00 0.00 0.00 51.96 50.78 1j21 s ALA 33 Cb -0.17 -1.30 0.03 0.00 0.00 0.00 0.00 23.12 21.68 1j21 s ALA 33 CO 0.05 0.46 0.46 0.34 0.00 0.00 0.00 175.76 177.07 1j21 s ASP 34 N -0.44 6.19 -0.17 0.00 2.15 -0.02 -4.86 116.67 119.52 1j21 s ASP 34 Ca 0.06 -0.79 0.15 0.00 0.43 0.00 0.00 52.55 52.40 1j21 s ASP 34 Cb -0.12 -2.23 0.36 0.00 -0.30 0.00 0.00 42.92 40.63 1j21 s ASP 34 CO 0.02 -0.63 1.19 2.30 -0.17 0.00 0.00 175.17 177.87 1j21 n ILE 35 N 5.43 2.01 -1.29 4.11 -5.35 -1.26 -1.42 119.36 121.59 1j21 n ILE 35 Ca -0.08 -2.75 0.00 0.00 -0.27 0.00 0.00 62.75 59.65 1j21 n ILE 35 Cb 0.47 -0.21 0.00 0.00 -1.74 0.00 0.00 39.64 38.16 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 -1.21 1.02 0.09 3.28 0.00 -1.26 -0.48 105.19 106.63 1j21 n GLY 36 Ca 0.17 -0.47 0.14 0.00 0.00 0.00 0.00 46.02 45.87 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 -0.71 0.69 -2.77 1.61 3.00 -1.24 -3.07 117.38 114.89 1j21 n GLN 37 Ca 0.00 -0.18 -0.10 0.00 -0.01 0.00 0.00 57.00 56.71 1j21 n GLN 37 Cb 0.29 -1.50 0.02 0.00 0.00 0.00 0.00 30.24 29.06 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 1.25 0.22 3.47 1.08 0.00 -1.26 -4.85 105.19 105.10 1j21 n GLY 38 Ca 0.15 -0.33 -0.23 0.00 0.00 0.00 0.00 46.02 45.61 1j21 n GLY 38 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1j21 s GLU 39 N -5.28 1.65 -0.47 1.61 2.56 -1.26 -5.09 118.70 112.42 1j21 s GLU 39 Ca 0.19 -1.80 -0.18 0.00 0.00 0.00 0.00 54.97 53.17 1j21 s GLU 39 Cb -0.08 -1.55 0.05 0.00 2.00 0.00 0.00 34.13 34.54 1j21 s GLU 39 CO 0.23 0.20 0.55 -2.00 -0.56 0.00 0.00 175.26 173.68 1j21 s GLU 40 N -3.60 3.11 0.45 4.30 2.56 -1.26 -4.92 118.70 119.34 1j21 s GLU 40 Ca 0.30 -0.87 0.20 0.00 0.00 0.00 0.00 54.97 54.59 1j21 s GLU 40 Cb -0.00 -4.06 1.06 0.00 2.00 0.00 0.00 34.13 33.13 1j21 s GLU 40 CO 0.14 -1.08 1.94 0.28 -0.56 0.00 0.00 175.26 175.98 1j21 h VAL 41 N 5.82 0.91 0.00 3.70 2.07 -1.98 -2.54 116.25 124.22 1j21 h VAL 41 Ca -0.27 -0.88 -0.10 0.00 0.82 0.00 0.00 66.70 66.27 1j21 h VAL 41 Cb 1.10 1.51 -0.01 0.00 -1.52 0.00 0.00 31.29 32.37 1j21 h VAL 41 CO 0.90 0.23 -0.46 -0.33 0.02 0.00 0.00 177.57 177.93 1j21 h GLU 42 N 0.00 0.00 -0.05 1.57 4.39 -1.97 0.46 114.58 118.99 1j21 h GLU 42 Ca -0.00 0.00 -0.11 0.00 0.34 0.00 0.00 59.36 59.58 1j21 h GLU 42 Cb 0.50 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.13 1j21 h GLU 42 CO 0.03 0.46 -0.49 0.93 -1.16 0.00 0.00 179.01 178.78 1j21 h GLU 43 N 0.00 0.12 0.05 2.33 5.08 -1.87 -0.72 114.58 119.56 1j21 h GLU 43 Ca -0.00 -0.07 -0.27 0.00 -1.00 0.00 0.00 59.36 58.02 1j21 h GLU 43 Cb 0.84 0.00 0.02 0.00 0.50 0.00 0.00 28.75 30.11 1j21 h GLU 43 CO 0.06 0.59 -1.10 0.00 -1.00 0.00 0.00 179.01 177.56 1j21 h ALA 44 N 1.40 0.14 -0.61 3.43 0.00 -1.30 -1.86 119.26 120.47 1j21 h ALA 44 Ca 0.00 -0.74 -0.01 0.00 0.00 0.00 0.00 54.91 54.16 1j21 h ALA 44 Cb 0.91 0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.72 1j21 h ALA 44 CO 0.07 0.74 0.34 -0.09 0.00 0.00 0.00 179.25 180.31 1j21 h ARG 45 N 0.29 0.84 -0.02 0.00 2.43 -0.66 -0.66 114.38 116.60 1j21 h ARG 45 Ca -0.14 -0.09 -0.16 0.00 -0.81 0.00 0.00 59.98 58.79 1j21 h ARG 45 Cb 1.76 -0.17 -0.02 0.00 -0.42 0.00 0.00 29.97 31.13 1j21 h ARG 45 CO 0.21 0.63 -0.70 0.93 -1.51 0.00 0.00 179.97 179.52 1j21 h GLU 46 N 0.82 0.10 -0.33 0.20 5.08 -1.17 -2.93 114.58 116.35 1j21 h GLU 46 Ca 0.21 -0.09 -0.12 0.00 -1.00 0.00 0.00 59.36 58.37 1j21 h GLU 46 Cb 0.02 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.28 1j21 h GLU 46 CO -0.04 0.76 -0.29 -0.22 -1.00 0.00 0.00 179.01 178.22 1j21 h LYS 47 N 0.07 0.68 -0.47 2.33 3.64 -0.97 -2.20 116.57 119.65 1j21 h LYS 47 Ca -0.01 -0.30 0.01 0.00 -1.27 0.00 0.00 60.65 59.08 1j21 h LYS 47 Cb 1.24 -0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 33.02 1j21 h LYS 47 CO 0.10 0.89 0.30 0.00 -2.27 0.00 0.00 179.45 178.48 1j21 h ALA 48 N 1.09 0.59 -0.62 5.00 0.00 -0.97 0.11 119.26 124.46 1j21 h ALA 48 Ca 0.07 -0.03 0.01 0.00 0.00 0.00 0.00 54.91 54.96 1j21 h ALA 48 Cb 0.79 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 18.37 1j21 h ALA 48 CO 0.07 0.03 0.41 -0.07 0.00 0.00 0.00 179.25 179.68 1j21 h LEU 49 N 0.62 0.70 -1.85 0.00 3.38 -1.34 -0.95 115.31 115.88 1j21 h LEU 49 Ca 0.17 -0.02 -0.03 0.00 0.09 0.00 0.00 57.88 58.10 1j21 h LEU 49 Cb -0.06 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 40.52 1j21 h LEU 49 CO -0.05 0.51 -0.13 0.03 0.09 0.00 0.00 178.44 178.89 1j21 h ARG 50 N 0.83 0.00 -0.00 1.13 3.08 -0.82 -1.69 114.38 116.91 1j21 h ARG 50 Ca 0.23 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.28 1j21 h ARG 50 Cb -0.08 0.00 0.00 0.00 0.08 0.00 0.00 29.97 29.97 1j21 h ARG 50 CO -0.06 0.13 -0.22 2.41 -1.07 0.00 0.00 179.97 181.17 1j21 n THR 51 N -4.00 0.00 0.00 2.04 -1.04 -0.03 -4.92 114.28 106.33 1j21 n THR 51 Ca -0.02 -0.01 0.00 0.00 -2.04 0.00 0.00 64.05 61.98 1j21 n THR 51 Cb 0.22 -0.13 0.00 0.00 -1.82 0.00 0.00 70.33 68.61 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 1.47 1.16 3.77 3.41 0.00 -0.63 -4.68 105.19 109.68 1j21 n GLY 52 Ca 0.08 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.69 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 -2.00 3.55 -0.54 4.61 0.00 -0.62 -4.69 121.76 122.07 1j21 s ALA 53 Ca 0.00 1.39 0.26 0.00 0.00 0.00 0.00 51.96 53.61 1j21 s ALA 53 Cb 0.00 -3.54 0.86 0.00 0.00 0.00 0.00 23.12 20.43 1j21 s ALA 53 CO 0.00 -0.81 1.76 0.66 0.00 0.00 0.00 175.76 177.36 1j21 h SER 54 N 3.57 0.00 -2.98 0.00 4.64 -1.35 -3.43 113.55 114.01 1j21 h SER 54 Ca -0.49 0.00 0.07 0.00 -0.47 0.00 0.00 61.79 60.90 1j21 h SER 54 Cb 1.23 0.00 -0.26 0.00 -0.31 0.00 0.00 62.40 63.06 1j21 h SER 54 CO 0.67 0.00 0.37 -0.75 -0.87 0.00 0.00 176.83 176.25 1j21 s LYS 55 N -3.23 0.50 -0.11 4.77 2.20 -1.24 -5.03 119.74 117.59 1j21 s LYS 55 Ca 0.07 0.71 0.02 0.00 -0.36 0.00 0.00 55.97 56.41 1j21 s LYS 55 Cb 0.10 0.18 0.01 0.00 -1.51 0.00 0.00 37.83 36.62 1j21 s LYS 55 CO 0.54 -0.08 -0.17 0.00 -0.36 0.00 0.00 175.35 175.28 1j21 s ALA 56 N 0.79 1.77 -0.06 3.13 0.00 -1.26 -0.67 121.76 125.45 1j21 s ALA 56 Ca -0.03 -0.77 0.02 0.00 0.00 0.00 0.00 51.96 51.18 1j21 s ALA 56 Cb -0.04 -0.83 -0.03 0.00 0.00 0.00 0.00 23.12 22.22 1j21 s ALA 56 CO -0.10 -0.02 -0.11 0.42 0.00 0.00 0.00 175.76 175.94 1j21 s ILE 57 N 0.88 3.32 -0.06 0.00 1.01 0.12 -4.97 121.20 121.50 1j21 s ILE 57 Ca -0.08 -0.62 -0.01 0.00 0.00 0.00 0.00 60.65 59.93 1j21 s ILE 57 Cb -0.15 -2.33 0.03 0.00 0.01 0.00 0.00 42.46 40.02 1j21 s ILE 57 CO -0.00 0.59 0.01 0.00 0.00 0.00 0.00 174.94 175.53 1j21 s ALA 58 N -0.69 0.57 0.04 9.38 0.00 -1.26 -0.68 121.76 129.12 1j21 s ALA 58 Ca 0.11 -0.03 0.07 0.00 0.00 0.00 0.00 51.96 52.11 1j21 s ALA 58 Cb -0.11 -0.62 -0.02 0.00 0.00 0.00 0.00 23.12 22.36 1j21 s ALA 58 CO 0.01 -0.35 -0.20 -0.51 0.00 0.00 0.00 175.76 174.71 1j21 s LEU 59 N 1.74 2.17 -0.53 0.00 1.43 -0.82 -5.00 118.68 117.67 1j21 s LEU 59 Ca 0.01 -0.51 -0.22 0.00 -1.03 0.00 0.00 54.13 52.37 1j21 s LEU 59 Cb -0.13 -0.91 0.05 0.00 0.03 0.00 0.00 46.19 45.22 1j21 s LEU 59 CO -0.04 0.14 0.83 -0.62 0.23 0.00 0.00 176.35 176.89 1j21 s ASP 60 N -1.17 6.31 -0.13 2.29 -1.08 -1.26 -0.84 116.67 120.78 1j21 s ASP 60 Ca 0.06 -0.51 0.15 0.00 -0.52 0.00 0.00 52.55 51.73 1j21 s ASP 60 Cb -0.09 -2.38 0.49 0.00 -1.46 0.00 0.00 42.92 39.48 1j21 s ASP 60 CO 0.02 -1.09 1.40 0.18 0.52 0.00 0.00 175.17 176.19 1j21 n LEU 61 N 6.99 3.73 -0.02 -1.34 4.77 -0.50 -4.72 117.00 125.90 1j21 n LEU 61 Ca -0.01 -2.75 -0.09 0.00 -0.03 0.00 0.00 56.01 53.13 1j21 n LEU 61 Cb 0.47 -0.47 -0.04 0.00 -2.33 0.00 0.00 43.42 41.05 1j21 n LEU 61 CO 0.60 0.69 0.86 0.11 -1.33 0.00 0.00 177.39 178.32 1j21 h LYS 62 N 1.98 0.04 -0.70 3.23 6.56 -1.87 0.24 116.57 126.06 1j21 h LYS 62 Ca 0.00 -0.00 -0.04 0.00 -1.06 0.00 0.00 60.65 59.55 1j21 h LYS 62 Cb 1.29 -0.01 -0.03 0.00 -0.57 0.00 0.00 32.23 32.90 1j21 h LYS 62 CO 0.18 0.03 0.29 0.93 -2.06 0.00 0.00 179.45 178.82 1j21 h GLU 63 N 0.05 1.04 -0.41 3.15 4.39 -1.92 -2.21 114.58 118.66 1j21 h GLU 63 Ca 0.07 -0.18 -0.11 0.00 0.34 0.00 0.00 59.36 59.48 1j21 h GLU 63 Cb 0.09 -0.17 -0.01 0.00 -0.10 0.00 0.00 28.75 28.56 1j21 h GLU 63 CO -0.12 0.85 -0.17 1.49 -1.16 0.00 0.00 179.01 179.90 1j21 h GLU 64 N 0.99 0.83 -0.06 2.33 4.81 -1.83 -0.68 114.58 120.98 1j21 h GLU 64 Ca 0.23 -0.35 0.04 0.00 -0.13 0.00 0.00 59.36 59.15 1j21 h GLU 64 Cb 0.19 -0.03 -0.05 0.00 0.63 0.00 0.00 28.75 29.49 1j21 h GLU 64 CO -0.02 0.99 -0.28 0.35 -0.73 0.00 0.00 179.01 179.32 1j21 h PHE 65 N 0.65 -0.76 -0.17 0.92 3.57 -0.28 -0.05 116.94 120.82 1j21 h PHE 65 Ca 0.09 0.03 -0.15 0.00 3.53 0.00 0.00 57.97 61.48 1j21 h PHE 65 Cb 0.72 0.34 0.00 0.00 2.79 0.00 0.00 35.95 39.81 1j21 h PHE 65 CO 0.05 -0.37 -0.48 0.28 -2.23 0.00 0.00 178.31 175.57 1j21 h VAL 66 N -0.39 1.33 -0.22 1.41 2.07 -1.39 -1.79 116.25 117.28 1j21 h VAL 66 Ca 0.08 -1.73 -0.04 0.00 0.82 0.00 0.00 66.70 65.83 1j21 h VAL 66 Cb 0.50 1.97 -0.01 0.00 -1.52 0.00 0.00 31.29 32.24 1j21 h VAL 66 CO -0.28 0.53 -0.03 -0.09 0.02 0.00 0.00 177.57 177.72 1j21 h ARG 67 N 0.28 0.40 -0.02 1.57 2.43 -1.05 -0.97 114.38 117.03 1j21 h ARG 67 Ca -0.01 -0.14 0.00 0.00 -0.81 0.00 0.00 59.98 59.02 1j21 h ARG 67 Cb 1.09 -0.03 0.00 0.00 -0.42 0.00 0.00 29.97 30.62 1j21 h ARG 67 CO 0.10 0.62 -0.46 -0.25 -1.51 0.00 0.00 179.97 178.48 1j21 n ASP 68 N -4.63 2.03 0.06 -3.80 8.00 -0.04 -4.44 116.55 113.73 1j21 n ASP 68 Ca -0.04 -1.51 0.00 0.00 0.71 0.00 0.00 54.79 53.94 1j21 n ASP 68 Cb 0.26 0.47 0.00 0.00 -0.02 0.00 0.00 41.12 41.83 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 0.01 -0.64 0.20 1.24 3.01 -0.74 -4.70 117.46 115.84 1j21 n PHE 69 Ca 0.09 0.11 -0.15 0.00 1.01 0.00 0.00 57.45 58.52 1j21 n PHE 69 Cb 0.46 0.20 -0.08 0.00 -0.01 0.00 0.00 39.48 40.05 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 0.67 -0.10 -4.37 2.07 -1.40 -2.60 116.25 110.52 1j21 h VAL 70 Ca 0.00 -0.17 0.02 0.00 0.82 0.00 0.00 66.70 67.36 1j21 h VAL 70 Cb 0.20 0.76 -0.02 0.00 -1.52 0.00 0.00 31.29 30.71 1j21 h VAL 70 CO 0.00 0.04 0.00 -0.26 0.02 0.00 0.00 177.57 177.37 1j21 h PHE 71 N -0.56 -0.00 -0.71 1.57 -1.00 -1.40 0.52 116.94 115.35 1j21 h PHE 71 Ca -0.05 0.01 0.11 0.00 2.81 0.00 0.00 57.97 60.85 1j21 h PHE 71 Cb 0.42 0.02 -0.08 0.00 3.61 0.00 0.00 35.95 39.91 1j21 h PHE 71 CO -0.03 -0.01 0.31 -1.35 -1.61 0.00 0.00 178.31 175.63 1j21 h PRO 72 N 0.04 0.49 -0.31 1.51 0.11 -1.77 0.36 132.00 132.43 1j21 h PRO 72 Ca 0.05 -0.03 -0.03 0.00 0.11 0.00 0.00 66.00 66.10 1j21 h PRO 72 Cb 0.05 -0.11 -0.01 0.00 0.11 0.00 0.00 31.00 31.04 1j21 h PRO 72 CO -0.08 0.33 0.08 1.98 -0.21 0.00 0.00 178.00 180.10 1j21 h MET 73 N 0.51 0.49 -0.68 1.05 1.85 -1.03 -2.97 114.93 114.14 1j21 h MET 73 Ca 0.37 -0.12 -0.04 0.00 -0.61 0.00 0.00 59.70 59.31 1j21 h MET 73 Cb 0.48 -0.06 -0.03 0.00 0.43 0.00 0.00 31.60 32.41 1j21 h MET 73 CO -0.33 0.56 0.28 0.52 -0.40 0.00 0.00 176.91 177.54 1j21 h MET 74 N 0.33 1.00 -0.52 0.39 2.86 -0.24 -1.51 114.93 117.24 1j21 h MET 74 Ca 0.10 -0.16 0.15 0.00 -2.06 0.00 0.00 59.70 57.72 1j21 h MET 74 Cb 0.29 -0.17 -0.02 0.00 0.06 0.00 0.00 31.60 31.75 1j21 h MET 74 CO 0.00 0.81 0.39 0.00 1.06 0.00 0.00 176.91 179.17 1j21 h ARG 75 N 0.98 0.00 -0.00 1.72 3.08 -0.79 0.15 114.38 119.52 1j21 h ARG 75 Ca 0.23 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.28 1j21 h ARG 75 Cb 0.18 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.23 1j21 h ARG 75 CO -0.02 0.00 -0.23 0.00 -1.07 0.00 0.00 179.97 178.64 1j21 n ALA 76 N -2.60 3.00 -2.51 0.04 0.00 -0.58 -4.78 120.51 113.09 1j21 n ALA 76 Ca 0.10 -0.32 -0.13 0.00 0.00 0.00 0.00 53.44 53.09 1j21 n ALA 76 Cb 0.61 -1.23 0.01 0.00 0.00 0.00 0.00 19.45 18.84 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 1.37 -0.09 3.66 0.00 0.00 0.52 -4.60 105.19 106.05 1j21 n GLY 77 Ca 0.11 -0.29 -0.42 0.00 0.00 0.00 0.00 46.02 45.42 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 -2.79 3.62 -0.08 4.61 0.00 -1.20 -4.86 121.76 121.06 1j21 s ALA 78 Ca 0.10 1.09 -0.03 0.00 0.00 0.00 0.00 51.96 53.12 1j21 s ALA 78 Cb -0.05 -3.77 0.05 0.00 0.00 0.00 0.00 23.12 19.35 1j21 s ALA 78 CO 0.13 -1.41 0.16 0.08 0.00 0.00 0.00 175.76 174.72 1j21 s VAL 79 N 3.97 -0.20 -0.16 0.00 1.01 -1.26 -4.77 120.40 118.98 1j21 s VAL 79 Ca 0.78 0.30 -0.22 0.00 0.00 0.00 0.00 61.98 62.83 1j21 s VAL 79 Cb -0.37 -0.29 -0.03 0.00 0.00 0.00 0.00 36.38 35.70 1j21 s VAL 79 CO 0.33 0.12 0.69 -0.47 0.00 0.00 0.00 175.10 175.77 1j21 s TYR 80 N 1.96 3.43 -1.34 5.22 5.04 -0.09 -4.34 117.35 127.22 1j21 s TYR 80 Ca -0.01 1.06 -0.14 0.00 -2.44 0.00 0.00 57.07 55.55 1j21 s TYR 80 Cb -0.12 -2.84 0.01 0.00 0.35 0.00 0.00 41.96 39.36 1j21 s TYR 80 CO -0.06 -0.13 0.44 0.39 -1.34 0.00 0.00 175.55 174.85 1j21 n GLU 81 N 4.81 -1.39 0.00 4.97 1.02 -1.26 -1.66 120.64 127.13 1j21 n GLU 81 Ca -0.00 0.23 0.00 0.00 -0.02 0.00 0.00 57.16 57.37 1j21 n GLU 81 Cb 0.50 -3.61 0.00 0.00 -0.02 0.00 0.00 31.44 28.31 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 -2.13 2.01 0.00 0.62 0.00 -1.26 -4.57 105.19 99.85 1j21 n GLY 82 Ca -0.22 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.80 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 -0.71 0.00 -2.40 1.61 4.02 -1.02 -5.06 117.16 113.60 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 -0.62 2.59 -2.00 -0.72 5.04 -0.66 -4.85 117.35 116.13 1j21 s TYR 84 Ca 0.00 0.80 0.04 0.00 -2.44 0.00 0.00 57.07 55.47 1j21 s TYR 84 Cb 0.00 -4.05 0.24 0.00 0.35 0.00 0.00 41.96 38.49 1j21 s TYR 84 CO 0.00 -1.80 1.03 1.28 -1.34 0.00 0.00 175.55 174.73 1j21 n LEU 85 N 8.01 0.00 -3.18 6.97 4.77 -1.26 -0.91 117.00 131.40 1j21 n LEU 85 Ca 0.15 0.00 -0.23 0.00 -0.03 0.00 0.00 56.01 55.90 1j21 n LEU 85 Cb 0.47 0.00 0.05 0.00 -2.33 0.00 0.00 43.42 41.61 1j21 n LEU 85 CO 0.66 0.00 0.08 0.18 -1.33 0.00 0.00 177.39 176.97 1j21 n LEU 86 N -0.57 -2.92 -0.15 2.23 4.77 -1.26 -4.92 117.00 114.17 1j21 n LEU 86 Ca 0.03 -0.36 -0.03 0.00 -0.03 0.00 0.00 56.01 55.62 1j21 n LEU 86 Cb 0.01 -2.99 0.06 0.00 -2.33 0.00 0.00 43.42 38.17 1j21 n LEU 86 CO 0.02 0.37 0.90 1.23 -1.33 0.00 0.00 177.39 178.58 1j21 h GLY 87 N -1.80 0.58 1.31 -0.72 0.00 -1.93 -2.87 103.07 97.63 1j21 h GLY 87 Ca -0.54 -0.02 -0.32 0.00 0.00 0.00 0.00 47.33 46.45 1j21 h GLY 87 CO 0.56 -0.07 -1.46 -0.84 0.00 0.00 0.00 176.54 174.73 1j21 h THR 88 N 0.22 1.29 -0.41 4.70 2.02 -1.94 -3.37 112.91 115.42 1j21 h THR 88 Ca 0.24 -2.77 0.09 0.00 0.77 0.00 0.00 66.41 64.73 1j21 h THR 88 Cb 0.32 2.98 -0.09 0.00 -1.74 0.00 0.00 68.15 69.62 1j21 h THR 88 CO -0.32 0.84 -0.21 0.28 0.37 0.00 0.00 175.52 176.48 1j21 h SER 89 N 0.12 -0.70 0.70 4.18 0.02 -1.86 -2.43 113.55 113.58 1j21 h SER 89 Ca -0.24 0.16 0.00 0.00 -0.84 0.00 0.00 61.79 60.87 1j21 h SER 89 Cb 2.11 0.38 0.00 0.00 0.14 0.00 0.00 62.40 65.03 1j21 h SER 89 CO 0.24 -0.24 0.00 2.30 -1.14 0.00 0.00 176.83 178.00 1j21 n ILE 90 N -5.38 0.67 0.02 3.27 -6.64 -1.10 -3.19 119.36 107.02 1j21 n ILE 90 Ca 0.02 0.15 -0.07 0.00 -1.77 0.00 0.00 62.75 61.09 1j21 n ILE 90 Cb 0.29 -0.84 -0.12 0.00 -1.44 0.00 0.00 39.64 37.53 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 2.64 0.60 -0.36 -1.28 0.00 -1.60 -3.39 119.26 115.87 1j21 h ALA 91 Ca 0.00 -1.14 0.02 0.00 0.00 0.00 0.00 54.91 53.78 1j21 h ALA 91 Cb 0.35 0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.31 1j21 h ALA 91 CO 0.00 1.34 0.21 0.00 0.00 0.00 0.00 179.25 180.81 1j21 h ARG 92 N 0.00 0.42 -0.80 0.00 2.47 -1.50 -2.88 114.38 112.09 1j21 h ARG 92 Ca -0.15 -0.03 0.05 0.00 -1.26 0.00 0.00 59.98 58.59 1j21 h ARG 92 Cb 1.85 -0.09 -0.05 0.00 -1.65 0.00 0.00 29.97 30.02 1j21 h ARG 92 CO 0.09 0.28 0.52 -1.35 0.56 0.00 0.00 179.97 180.07 1j21 h PRO 93 N 0.43 0.89 -0.48 0.04 0.11 -1.75 -1.88 132.00 129.35 1j21 h PRO 93 Ca 0.14 -0.05 -0.03 0.00 0.11 0.00 0.00 66.00 66.17 1j21 h PRO 93 Cb 0.01 -0.20 -0.02 0.00 0.11 0.00 0.00 31.00 30.89 1j21 h PRO 93 CO -0.07 0.59 0.19 1.25 -0.21 0.00 0.00 178.00 179.75 1j21 h LEU 94 N 0.92 0.66 0.43 2.35 7.12 -1.72 0.12 115.31 125.19 1j21 h LEU 94 Ca 0.33 -0.17 -0.02 0.00 0.13 0.00 0.00 57.88 58.15 1j21 h LEU 94 Cb 0.15 -0.17 0.00 0.00 -0.53 0.00 0.00 40.66 40.11 1j21 h LEU 94 CO -0.11 0.65 -0.21 0.40 -0.13 0.00 0.00 178.44 179.05 1j21 h ILE 95 N 0.64 0.58 -0.26 4.05 1.08 -1.16 -2.80 117.51 119.64 1j21 h ILE 95 Ca 0.16 -0.02 -0.01 0.00 -0.39 0.00 0.00 64.86 64.60 1j21 h ILE 95 Cb 0.19 0.59 -0.01 0.00 -3.07 0.00 0.00 36.82 34.52 1j21 h ILE 95 CO -0.01 0.00 0.10 0.00 -0.69 0.00 0.00 178.15 177.55 1j21 h ALA 96 N -0.02 1.70 -0.64 1.87 0.00 -1.32 -1.69 119.26 119.16 1j21 h ALA 96 Ca -0.06 -0.08 0.03 0.00 0.00 0.00 0.00 54.91 54.81 1j21 h ALA 96 Cb 0.45 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 18.09 1j21 h ALA 96 CO 0.10 0.24 0.39 -0.22 0.00 0.00 0.00 179.25 179.76 1j21 h LYS 97 N 0.36 0.74 -0.22 0.00 3.64 -0.72 -2.02 116.57 118.35 1j21 h LYS 97 Ca 0.09 -0.04 -0.14 0.00 -1.27 0.00 0.00 60.65 59.28 1j21 h LYS 97 Cb 0.08 -0.17 -0.01 0.00 -0.41 0.00 0.00 32.23 31.72 1j21 h LYS 97 CO -0.01 0.49 -0.46 0.45 -2.27 0.00 0.00 179.45 177.65 1j21 h HIS 98 N 0.76 0.69 -0.57 1.91 3.86 -1.11 -2.56 115.15 118.14 1j21 h HIS 98 Ca 0.26 -0.22 0.03 0.00 -1.16 0.00 0.00 60.37 59.28 1j21 h HIS 98 Cb 0.04 -0.14 -0.04 0.00 1.06 0.00 0.00 27.41 28.32 1j21 h HIS 98 CO -0.05 0.93 0.34 -0.07 0.86 0.00 0.00 177.93 179.93 1j21 h LEU 99 N 0.46 0.54 -0.73 2.43 3.38 -0.90 0.11 115.31 120.59 1j21 h LEU 99 Ca 0.03 0.01 -0.11 0.00 0.09 0.00 0.00 57.88 57.90 1j21 h LEU 99 Cb 0.98 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 41.61 1j21 h LEU 99 CO 0.09 0.37 -0.20 0.58 0.09 0.00 0.00 178.44 179.37 1j21 h VAL 100 N 0.66 1.27 -0.38 1.22 2.07 -1.32 -1.01 116.25 118.76 1j21 h VAL 100 Ca 0.23 -1.29 -0.11 0.00 0.82 0.00 0.00 66.70 66.35 1j21 h VAL 100 Cb 0.05 1.18 -0.01 0.00 -1.52 0.00 0.00 31.29 30.99 1j21 h VAL 100 CO -0.11 0.43 -0.20 -0.09 0.02 0.00 0.00 177.57 177.62 1j21 h ARG 101 N 0.67 0.81 -0.47 1.57 2.43 -1.02 -1.99 114.38 116.37 1j21 h ARG 101 Ca 0.10 -0.36 -0.07 0.00 -0.81 0.00 0.00 59.98 58.84 1j21 h ARG 101 Cb 0.69 -0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 30.21 1j21 h ARG 101 CO 0.05 0.99 0.00 0.82 -1.51 0.00 0.00 179.97 180.32 1j21 h ILE 102 N 0.60 1.26 -0.96 1.20 2.04 -0.89 -1.23 117.51 119.53 1j21 h ILE 102 Ca 0.08 -1.05 0.04 0.00 1.00 0.00 0.00 64.86 64.93 1j21 h ILE 102 Cb 0.75 1.00 -0.06 0.00 -0.74 0.00 0.00 36.82 37.78 1j21 h ILE 102 CO 0.06 0.37 0.63 0.00 0.00 0.00 0.00 178.15 179.21 1j21 h ALA 103 N 0.92 1.39 -0.45 1.87 0.00 -1.11 0.28 119.26 122.18 1j21 h ALA 103 Ca 0.13 -0.04 -0.09 0.00 0.00 0.00 0.00 54.91 54.91 1j21 h ALA 103 Cb 0.50 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 1j21 h ALA 103 CO 0.02 0.50 -0.08 0.93 0.00 0.00 0.00 179.25 180.63 1j21 h GLU 104 N 1.19 0.84 -0.03 0.00 5.08 -0.98 0.41 114.58 121.09 1j21 h GLU 104 Ca 0.39 -0.31 -0.18 0.00 -1.00 0.00 0.00 59.36 58.26 1j21 h GLU 104 Cb 0.04 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.23 1j21 h GLU 104 CO -0.13 0.94 -0.76 0.93 -1.00 0.00 0.00 179.01 178.99 1j21 h GLU 105 N 0.68 0.24 -0.01 2.33 5.08 -0.70 -3.21 114.58 118.99 1j21 h GLU 105 Ca 0.12 -0.21 0.00 0.00 -1.00 0.00 0.00 59.36 58.26 1j21 h GLU 105 Cb 0.61 0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.91 1j21 h GLU 105 CO 0.04 0.89 -0.30 0.39 -1.00 0.00 0.00 179.01 179.03 1j21 n GLU 106 N -3.76 0.63 -2.11 2.33 -0.58 0.95 -4.94 120.64 113.17 1j21 n GLU 106 Ca -0.03 -0.36 -0.08 0.00 -0.42 0.00 0.00 57.16 56.26 1j21 n GLU 106 Cb 0.73 -1.49 -0.01 0.00 -0.57 0.00 0.00 31.44 30.10 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 1.37 0.08 3.75 0.62 0.00 0.18 -5.00 105.19 106.20 1j21 n GLY 107 Ca 0.11 -0.55 -0.39 0.00 0.00 0.00 0.00 46.02 45.19 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 -2.41 3.44 -0.71 4.61 0.00 0.12 -4.75 121.76 122.07 1j21 s ALA 108 Ca 0.00 0.08 0.25 0.00 0.00 0.00 0.00 51.96 52.30 1j21 s ALA 108 Cb 0.00 -2.81 0.60 0.00 0.00 0.00 0.00 23.12 20.90 1j21 s ALA 108 CO 0.00 0.11 1.56 -0.85 0.00 0.00 0.00 175.76 176.57 1j21 n GLU 109 N 2.91 0.26 -4.05 0.00 0.28 -1.16 -4.55 120.64 114.33 1j21 n GLU 109 Ca -0.05 0.14 -0.09 0.00 -0.16 0.00 0.00 57.16 57.00 1j21 n GLU 109 Cb 0.51 -1.73 -0.09 0.00 1.43 0.00 0.00 31.44 31.56 1j21 n GLU 109 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1j21 s ALA 110 N -3.12 0.42 0.14 -1.84 0.00 -1.21 -1.73 121.76 114.41 1j21 s ALA 110 Ca 0.09 -1.15 0.05 0.00 0.00 0.00 0.00 51.96 50.95 1j21 s ALA 110 Cb 0.13 0.65 -0.04 0.00 0.00 0.00 0.00 23.12 23.86 1j21 s ALA 110 CO 0.66 -0.49 -0.11 0.96 0.00 0.00 0.00 175.76 176.77 1j21 s ILE 111 N -3.97 1.20 0.02 0.00 -4.36 -0.34 -1.26 121.20 112.49 1j21 s ILE 111 Ca 0.15 -1.93 -0.02 0.00 -0.26 0.00 0.00 60.65 58.59 1j21 s ILE 111 Cb 0.06 -1.71 -0.01 0.00 1.25 0.00 0.00 42.46 42.05 1j21 s ILE 111 CO -0.04 -0.64 0.03 0.00 0.24 0.00 0.00 174.94 174.53 1j21 s ALA 112 N -2.90 -0.01 0.06 2.27 0.00 0.13 -1.23 121.76 120.07 1j21 s ALA 112 Ca 0.14 -0.47 -0.03 0.00 0.00 0.00 0.00 51.96 51.60 1j21 s ALA 112 Cb -0.00 0.15 -0.03 0.00 0.00 0.00 0.00 23.12 23.23 1j21 s ALA 112 CO 0.01 -0.19 0.02 -3.38 0.00 0.00 0.00 175.76 172.22 1j21 s HIS 113 N -1.57 0.44 -0.28 0.00 -3.43 -1.20 -0.61 115.29 108.64 1j21 s HIS 113 Ca -0.14 -0.96 0.12 0.00 -0.80 0.00 0.00 55.06 53.27 1j21 s HIS 113 Cb -0.08 -0.32 0.76 0.00 -1.43 0.00 0.00 32.58 31.50 1j21 s HIS 113 CO -0.01 -0.41 1.76 0.41 -2.00 0.00 0.00 174.74 174.49 1j21 n GLY 114 N 0.08 3.49 3.77 -1.38 0.00 -1.26 -4.24 105.19 105.65 1j21 n GLY 114 Ca -0.14 -0.99 -0.38 0.00 0.00 0.00 0.00 46.02 44.51 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 -2.91 3.18 0.78 4.61 0.00 -1.26 -4.94 121.76 121.22 1j21 s ALA 115 Ca 0.54 0.89 -0.11 0.00 0.00 0.00 0.00 51.96 53.27 1j21 s ALA 115 Cb 0.43 -3.34 0.06 0.00 0.00 0.00 0.00 23.12 20.26 1j21 s ALA 115 CO 0.14 -0.38 1.09 0.95 0.00 0.00 0.00 175.76 177.55 1j21 s THR 116 N -1.43 3.27 -2.00 0.00 -4.23 -1.26 -4.60 115.64 105.39 1j21 s THR 116 Ca 0.55 0.41 0.15 0.00 -1.18 0.00 0.00 61.69 61.62 1j21 s THR 116 Cb -0.29 -3.16 0.42 0.00 1.34 0.00 0.00 72.50 70.81 1j21 s THR 116 CO 0.36 -0.54 1.52 0.61 -0.54 0.00 0.00 174.62 176.03 1j21 n GLY 117 N -2.07 -0.95 0.00 3.99 0.00 -1.26 -3.52 105.19 101.39 1j21 n GLY 117 Ca 0.07 -0.09 0.00 0.00 0.00 0.00 0.00 46.02 46.00 1j21 n GLY 117 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1j21 n LYS 118 N -0.74 2.85 -2.19 1.61 0.00 -1.26 -5.05 118.16 113.38 1j21 n LYS 118 Ca 0.11 -1.53 -0.05 0.00 -0.00 0.00 0.00 58.31 56.84 1j21 n LYS 118 Cb 0.05 -1.01 -0.01 0.00 -0.00 0.00 0.00 35.03 34.06 1j21 n LYS 118 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1j21 n GLY 119 N -0.53 3.56 0.11 2.58 0.00 -1.23 -4.92 105.19 104.75 1j21 n GLY 119 Ca 0.01 -2.22 -0.15 0.00 0.00 0.00 0.00 46.02 43.66 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 0.16 0.30 -0.84 1.61 2.35 -1.96 -3.39 115.58 113.82 1j21 h ASN 120 Ca -0.07 -0.45 0.10 0.00 -0.55 0.00 0.00 56.30 55.33 1j21 h ASN 120 Cb 0.22 -0.10 -0.06 0.00 0.05 0.00 0.00 38.32 38.43 1j21 h ASN 120 CO 0.11 1.38 0.54 0.44 -1.65 0.00 0.00 177.43 178.25 1j21 h ASP 121 N 0.05 0.72 -0.59 5.81 3.32 -1.94 -2.16 116.42 121.63 1j21 h ASP 121 Ca -0.24 0.02 0.07 0.00 0.02 0.00 0.00 57.03 56.89 1j21 h ASP 121 Cb 2.00 -0.13 -0.06 0.00 0.22 0.00 0.00 39.33 41.36 1j21 h ASP 121 CO 0.14 0.43 0.29 0.06 -1.72 0.00 0.00 179.24 178.44 1j21 h GLN 122 N 0.80 0.52 -0.72 3.56 3.07 -1.80 0.34 115.11 120.87 1j21 h GLN 122 Ca 0.38 -0.03 -0.03 0.00 0.09 0.00 0.00 58.65 59.07 1j21 h GLN 122 Cb 0.42 -0.12 -0.03 0.00 0.08 0.00 0.00 27.48 27.83 1j21 h GLN 122 CO -0.15 0.34 0.34 0.28 0.09 0.00 0.00 178.83 179.73 1j21 h VAL 123 N 0.53 1.24 -0.33 1.86 2.07 -1.64 -0.74 116.25 119.24 1j21 h VAL 123 Ca 0.28 -0.68 -0.03 0.00 0.82 0.00 0.00 66.70 67.09 1j21 h VAL 123 Cb 0.23 0.35 -0.01 0.00 -1.52 0.00 0.00 31.29 30.34 1j21 h VAL 123 CO -0.21 0.28 0.10 0.03 0.02 0.00 0.00 177.57 177.79 1j21 h ARG 124 N 1.01 0.52 -0.28 1.57 3.08 -1.09 0.29 114.38 119.47 1j21 h ARG 124 Ca 0.25 -0.11 -0.02 0.00 0.07 0.00 0.00 59.98 60.16 1j21 h ARG 124 Cb 0.13 -0.07 -0.01 0.00 0.08 0.00 0.00 29.97 30.09 1j21 h ARG 124 CO -0.03 0.55 0.10 0.74 -1.07 0.00 0.00 179.97 180.27 1j21 h PHE 125 N 0.38 0.44 0.04 3.04 0.05 -0.71 -2.90 116.94 117.28 1j21 h PHE 125 Ca 0.11 -0.04 -0.24 0.00 3.82 0.00 0.00 57.97 61.61 1j21 h PHE 125 Cb 0.26 -0.13 0.01 0.00 2.00 0.00 0.00 35.95 38.08 1j21 h PHE 125 CO 0.01 0.45 -1.04 0.93 -0.18 0.00 0.00 178.31 178.48 1j21 h GLU 126 N 0.31 0.41 -0.77 1.51 5.08 -1.06 -2.26 114.58 117.79 1j21 h GLU 126 Ca 0.09 -0.50 -0.03 0.00 -1.00 0.00 0.00 59.36 57.93 1j21 h GLU 126 Cb 0.21 0.15 -0.03 0.00 0.50 0.00 0.00 28.75 29.57 1j21 h GLU 126 CO -0.01 1.16 0.36 -0.07 -1.00 0.00 0.00 179.01 179.46 1j21 h LEU 127 N 0.21 1.01 -0.40 1.33 3.38 -0.47 -1.12 115.31 119.23 1j21 h LEU 127 Ca -0.10 -0.14 -0.18 0.00 0.09 0.00 0.00 57.88 57.55 1j21 h LEU 127 Cb 1.70 -0.26 -0.00 0.00 0.09 0.00 0.00 40.66 42.18 1j21 h LEU 127 CO 0.18 0.86 -0.68 0.71 0.09 0.00 0.00 178.44 179.60 1j21 h THR 128 N 1.08 1.35 0.42 0.22 1.35 -1.53 -1.96 112.91 113.83 1j21 h THR 128 Ca 0.26 -2.01 -0.02 0.00 -0.55 0.00 0.00 66.41 64.10 1j21 h THR 128 Cb 0.13 1.99 -0.00 0.00 -1.73 0.00 0.00 68.15 68.53 1j21 h THR 128 CO -0.03 0.62 -0.25 0.00 -0.25 0.00 0.00 175.52 175.61 1j21 h ALA 129 N 0.89 -0.63 -0.55 6.62 0.00 -1.10 -1.09 119.26 123.40 1j21 h ALA 129 Ca -0.02 -0.12 -0.03 0.00 0.00 0.00 0.00 54.91 54.73 1j21 h ALA 129 Cb 1.26 0.30 -0.03 0.00 0.00 0.00 0.00 17.79 19.32 1j21 h ALA 129 CO 0.12 -0.86 0.21 1.88 0.00 0.00 0.00 179.25 180.60 1j21 h TYR 130 N -0.63 0.81 -0.35 0.00 0.99 -1.26 0.65 116.97 117.18 1j21 h TYR 130 Ca -0.05 -0.05 -0.08 0.00 2.00 0.00 0.00 58.73 60.56 1j21 h TYR 130 Cb 0.51 -0.25 -0.02 0.00 1.00 0.00 0.00 36.73 37.98 1j21 h TYR 130 CO -0.09 0.64 -0.12 0.00 -0.00 0.00 0.00 178.16 178.60 1j21 h ALA 131 N 1.43 1.14 0.03 3.88 0.00 -1.08 -2.26 119.26 122.40 1j21 h ALA 131 Ca 0.19 -0.29 -0.28 0.00 0.00 0.00 0.00 54.91 54.52 1j21 h ALA 131 Cb 0.18 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 17.78 1j21 h ALA 131 CO -0.02 0.54 -1.57 -0.07 0.00 0.00 0.00 179.25 178.14 1j21 h LEU 132 N 0.57 0.09 -6.31 0.00 3.38 -0.86 -3.43 115.31 108.75 1j21 h LEU 132 Ca 0.10 -0.16 -0.43 0.00 0.09 0.00 0.00 57.88 57.48 1j21 h LEU 132 Cb 0.53 -0.03 -0.33 0.00 0.09 0.00 0.00 40.66 40.93 1j21 h LEU 132 CO 0.03 1.14 -0.75 -0.75 0.09 0.00 0.00 178.44 178.20 1j21 s LYS 133 N -2.62 0.69 0.54 1.13 2.20 0.19 -5.03 119.74 116.84 1j21 s LYS 133 Ca -0.06 -1.17 0.29 0.00 -0.36 0.00 0.00 55.97 54.67 1j21 s LYS 133 Cb 0.08 -0.90 1.45 0.00 -1.51 0.00 0.00 37.83 36.95 1j21 s LYS 133 CO 0.82 -1.24 1.94 -1.00 -0.36 0.00 0.00 175.35 175.52 1j21 h PRO 134 N 6.69 0.00 -0.32 4.03 0.13 -1.61 -1.71 132.00 139.22 1j21 h PRO 134 Ca 0.09 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.22 1j21 h PRO 134 Cb 1.02 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.15 1j21 h PRO 134 CO 0.22 0.00 0.00 -0.25 -0.23 0.00 0.00 178.00 177.74 1j21 n ASP 135 N -4.26 2.83 -4.76 1.44 8.00 -1.26 -4.96 116.55 113.59 1j21 n ASP 135 Ca 0.13 -1.90 -0.36 0.00 0.71 0.00 0.00 54.79 53.37 1j21 n ASP 135 Cb 0.77 -0.20 0.03 0.00 -0.02 0.00 0.00 41.12 41.70 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 -1.59 2.61 -0.16 0.53 1.10 -0.64 -5.00 121.20 118.04 1j21 s ILE 136 Ca 0.36 0.40 -0.07 0.00 -0.51 0.00 0.00 60.65 60.83 1j21 s ILE 136 Cb 0.21 -3.18 -0.04 0.00 0.15 0.00 0.00 42.46 39.60 1j21 s ILE 136 CO 0.29 -0.06 0.09 -0.75 -2.11 0.00 0.00 174.94 172.41 1j21 s LYS 137 N -3.17 3.78 -0.16 3.50 2.20 -0.71 -4.98 119.74 120.19 1j21 s LYS 137 Ca 0.75 -0.26 -0.02 0.00 -0.36 0.00 0.00 55.97 56.08 1j21 s LYS 137 Cb -0.32 -3.21 -0.01 0.00 -1.51 0.00 0.00 37.83 32.78 1j21 s LYS 137 CO 0.35 0.46 -0.10 0.08 -0.36 0.00 0.00 175.35 175.79 1j21 s VAL 138 N -0.15 3.21 -0.20 4.02 1.01 -1.26 -1.20 120.40 125.82 1j21 s VAL 138 Ca 0.09 -0.59 -0.01 0.00 0.00 0.00 0.00 61.98 61.47 1j21 s VAL 138 Cb -0.12 -2.39 0.01 0.00 0.00 0.00 0.00 36.38 33.89 1j21 s VAL 138 CO 0.01 0.49 -0.14 -0.63 0.00 0.00 0.00 175.10 174.83 1j21 s ILE 139 N 0.72 2.54 -0.41 2.22 1.01 -0.37 -4.98 121.20 121.93 1j21 s ILE 139 Ca -0.04 -0.84 0.02 0.00 0.00 0.00 0.00 60.65 59.78 1j21 s ILE 139 Cb -0.15 -2.14 0.11 0.00 0.01 0.00 0.00 42.46 40.29 1j21 s ILE 139 CO 0.02 0.45 0.16 0.00 0.00 0.00 0.00 174.94 175.56 1j21 s ALA 140 N 1.34 3.09 0.31 9.38 0.00 -1.26 -3.23 121.76 131.39 1j21 s ALA 140 Ca 0.04 -2.74 0.08 0.00 0.00 0.00 0.00 51.96 49.34 1j21 s ALA 140 Cb -0.14 -2.16 0.83 0.00 0.00 0.00 0.00 23.12 21.65 1j21 s ALA 140 CO -0.09 -1.81 1.73 -1.35 0.00 0.00 0.00 175.76 174.24 1j21 h PRO 141 N 7.45 0.54 -0.02 0.00 0.11 -1.90 -1.01 132.00 137.17 1j21 h PRO 141 Ca -0.07 -0.03 0.01 0.00 0.11 0.00 0.00 66.00 66.02 1j21 h PRO 141 Cb 1.00 -0.12 -0.00 0.00 0.11 0.00 0.00 31.00 31.98 1j21 h PRO 141 CO 0.61 0.36 0.02 -1.49 -0.21 0.00 0.00 178.00 177.28 1j21 h TRP 142 N 0.56 0.00 -0.02 0.65 4.06 -1.87 0.24 115.95 119.57 1j21 h TRP 142 Ca 0.61 0.00 0.00 0.00 2.06 0.00 0.00 58.89 61.56 1j21 h TRP 142 Cb 1.14 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 29.30 1j21 h TRP 142 CO -0.04 0.00 -0.15 0.54 -3.56 0.00 0.00 178.44 175.23 1j21 n ARG 143 N -4.05 1.57 0.00 0.49 1.74 -0.40 -4.59 116.66 111.43 1j21 n ARG 143 Ca -0.03 -1.13 0.00 0.00 -0.77 0.00 0.00 57.85 55.92 1j21 n ARG 143 Cb 0.11 -1.48 0.00 0.00 -1.02 0.00 0.00 32.46 30.07 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 0.28 2.02 -1.52 5.56 1.02 0.40 -5.06 120.64 123.33 1j21 n GLU 144 Ca 0.14 0.00 -0.30 0.00 -0.02 0.00 0.00 57.16 56.98 1j21 n GLU 144 Cb 0.44 -1.00 0.22 0.00 -0.02 0.00 0.00 31.44 31.09 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 -1.99 0.91 -0.38 -0.32 -2.14 0.57 -5.02 118.94 110.57 1j21 s TRP 145 Ca 0.00 0.35 0.07 0.00 2.66 0.00 0.00 56.10 59.18 1j21 s TRP 145 Cb 0.00 -3.85 0.18 0.00 -3.10 0.00 0.00 33.47 26.70 1j21 s TRP 145 CO 0.00 -3.33 1.14 -1.13 -2.66 0.00 0.00 176.95 170.96 1j21 n SER 146 N -4.29 2.51 -4.70 -2.66 3.41 -1.26 -5.01 113.62 101.62 1j21 n SER 146 Ca 0.15 -2.16 -0.44 0.00 -0.26 0.00 0.00 58.87 56.16 1j21 n SER 146 Cb 0.59 -0.16 -0.03 0.00 -0.26 0.00 0.00 64.21 64.36 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 -0.19 2.46 -1.06 7.33 0.99 -1.26 -4.87 117.46 120.86 1j21 n PHE 147 Ca 0.07 0.29 0.08 0.00 -0.00 0.00 0.00 57.45 57.89 1j21 n PHE 147 Cb 0.39 -2.55 0.21 0.00 -1.00 0.00 0.00 39.48 36.54 1j21 n PHE 147 CO 0.00 0.00 0.00 1.04 -0.00 0.00 0.00 176.76 177.80 1j21 n GLN 148 N 2.65 2.23 0.00 -1.08 6.02 -1.26 -5.04 117.38 120.91 1j21 n GLN 148 Ca 0.13 -2.78 0.00 0.00 -0.01 0.00 0.00 57.00 54.33 1j21 n GLN 148 Cb 0.33 -1.72 0.00 0.00 1.02 0.00 0.00 30.24 29.87 1j21 n GLN 148 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1j21 n GLY 149 N -0.90 1.00 0.25 1.08 0.00 -1.26 -4.99 105.19 100.37 1j21 n GLY 149 Ca 0.20 -0.78 -0.07 0.00 0.00 0.00 0.00 46.02 45.37 1j21 n GLY 149 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 1j21 h ARG 150 N 0.00 0.69 -0.24 1.61 9.65 -1.99 -2.75 114.38 121.35 1j21 h ARG 150 Ca 0.00 -0.30 -0.01 0.00 -1.10 0.00 0.00 59.98 58.57 1j21 h ARG 150 Cb 0.00 -0.02 -0.01 0.00 -1.39 0.00 0.00 29.97 28.55 1j21 h ARG 150 CO 0.00 0.90 0.12 0.87 2.80 0.00 0.00 179.97 184.66 1j21 h LYS 151 N 0.59 0.34 -0.68 0.20 6.56 -2.00 -1.07 116.57 120.52 1j21 h LYS 151 Ca 0.07 -0.05 -0.01 0.00 -1.06 0.00 0.00 60.65 59.60 1j21 h LYS 151 Cb 0.79 -0.06 -0.03 0.00 -0.57 0.00 0.00 32.23 32.35 1j21 h LYS 151 CO 0.06 0.34 0.36 1.49 -2.06 0.00 0.00 179.45 179.64 1j21 h GLU 152 N 0.26 0.94 -0.59 3.15 4.81 -1.92 -1.47 114.58 119.75 1j21 h GLU 152 Ca 0.08 -0.10 -0.10 0.00 -0.13 0.00 0.00 59.36 59.11 1j21 h GLU 152 Cb 0.10 -0.19 -0.02 0.00 0.63 0.00 0.00 28.75 29.27 1j21 h GLU 152 CO -0.01 0.70 -0.01 0.52 -0.73 0.00 0.00 179.01 179.48 1j21 h MET 153 N 0.95 1.05 -0.40 1.92 2.86 -1.15 -1.58 114.93 118.56 1j21 h MET 153 Ca 0.24 -0.33 -0.05 0.00 -2.06 0.00 0.00 59.70 57.50 1j21 h MET 153 Cb 0.04 -0.10 -0.02 0.00 0.06 0.00 0.00 31.60 31.58 1j21 h MET 153 CO -0.04 1.03 0.06 0.82 1.06 0.00 0.00 176.91 179.84 1j21 h ILE 154 N 0.95 1.24 -0.74 -1.22 5.03 -0.62 -0.80 117.51 121.35 1j21 h ILE 154 Ca 0.17 -0.87 -0.01 0.00 -0.12 0.00 0.00 64.86 64.03 1j21 h ILE 154 Cb 0.56 1.03 -0.04 0.00 -3.03 0.00 0.00 36.82 35.35 1j21 h ILE 154 CO 0.03 0.30 0.43 0.00 -0.68 0.00 0.00 178.15 178.23 1j21 h ALA 155 N 0.93 1.38 -0.09 1.87 0.00 -1.14 0.10 119.26 122.31 1j21 h ALA 155 Ca 0.12 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 1j21 h ALA 155 Cb 0.37 -0.30 -0.00 0.00 0.00 0.00 0.00 17.79 17.86 1j21 h ALA 155 CO 0.01 0.53 0.01 -0.92 0.00 0.00 0.00 179.25 178.88 1j21 h TYR 156 N 1.02 0.16 0.01 0.00 3.20 -1.03 0.60 116.97 120.92 1j21 h TYR 156 Ca 0.26 -0.02 0.02 0.00 3.14 0.00 0.00 58.73 62.13 1j21 h TYR 156 Cb -0.03 -0.04 -0.02 0.00 1.54 0.00 0.00 36.73 38.18 1j21 h TYR 156 CO 0.00 0.36 -0.12 0.00 -1.64 0.00 0.00 178.16 176.77 1j21 h ALA 157 N 0.77 -0.14 -0.89 1.82 0.00 -0.50 -0.89 119.26 119.43 1j21 h ALA 157 Ca 0.03 0.00 0.01 0.00 0.00 0.00 0.00 54.91 54.95 1j21 h ALA 157 Cb 0.29 0.21 -0.04 0.00 0.00 0.00 0.00 17.79 18.25 1j21 h ALA 157 CO 0.00 -0.61 0.58 0.93 0.00 0.00 0.00 179.25 180.15 1j21 h GLU 158 N -0.21 1.18 -0.60 0.00 5.08 -0.77 -0.29 114.58 118.97 1j21 h GLU 158 Ca 0.04 -0.08 0.08 0.00 -1.00 0.00 0.00 59.36 58.40 1j21 h GLU 158 Cb 0.26 -0.26 -0.04 0.00 0.50 0.00 0.00 28.75 29.21 1j21 h GLU 158 CO -0.11 0.79 0.40 0.00 -1.00 0.00 0.00 179.01 179.09 1j21 h ALA 159 N 1.32 1.90 -0.56 3.43 0.00 -0.05 -1.17 119.26 124.12 1j21 h ALA 159 Ca 0.33 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.22 1j21 h ALA 159 Cb -0.12 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.55 1j21 h ALA 159 CO -0.07 -0.01 0.00 0.72 0.00 0.00 0.00 179.25 179.89 1j21 n HIS 160 N -4.48 1.15 -1.01 0.00 8.25 -0.42 -4.94 115.22 113.78 1j21 n HIS 160 Ca 0.09 -0.48 -0.00 0.00 -0.26 0.00 0.00 57.72 57.07 1j21 n HIS 160 Cb 0.29 -0.16 -0.00 0.00 1.12 0.00 0.00 29.99 31.24 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 1.12 0.40 3.65 -1.41 0.00 -0.44 -5.00 105.19 103.51 1j21 n GLY 161 Ca 0.21 -0.04 -0.43 0.00 0.00 0.00 0.00 46.02 45.77 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 -1.79 4.72 0.30 -0.61 1.01 -0.25 -4.99 121.20 119.60 1j21 s ILE 162 Ca 0.00 1.89 -0.30 0.00 0.00 0.00 0.00 60.65 62.24 1j21 s ILE 162 Cb 0.00 -4.26 -0.12 0.00 0.01 0.00 0.00 42.46 38.09 1j21 s ILE 162 CO 0.00 -0.16 1.44 -0.81 0.00 0.00 0.00 174.94 175.41 1j21 n PRO 163 N 6.25 2.34 -4.62 2.79 -0.04 -1.26 -4.16 135.00 136.30 1j21 n PRO 163 Ca 0.10 0.83 -0.31 0.00 -0.04 0.00 0.00 63.50 64.08 1j21 n PRO 163 Cb 0.46 -2.51 -0.12 0.00 -0.04 0.00 0.00 33.50 31.29 1j21 n PRO 163 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 1j21 s VAL 164 N -0.45 2.92 0.00 0.52 -7.23 -1.26 -4.89 120.40 110.00 1j21 s VAL 164 Ca 0.62 -1.14 0.00 0.00 -1.81 0.00 0.00 61.98 59.65 1j21 s VAL 164 Cb -0.56 -2.24 0.00 0.00 0.56 0.00 0.00 36.38 34.14 1j21 s VAL 164 CO 0.54 0.34 0.00 -2.65 -0.31 0.00 0.00 175.10 173.02 1j21 n PRO 165 N 1.52 0.00 0.00 4.82 -0.02 -1.26 -5.18 135.00 134.88 1j21 n PRO 165 Ca -0.16 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.32 1j21 n PRO 165 Cb 0.52 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 34.00 1j21 n PRO 165 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 1j21 n PRO 171 N 0.00 0.00 -3.74 0.52 -0.02 -1.26 -5.25 135.00 125.25 1j21 n PRO 171 Ca 0.00 0.00 -0.04 0.00 -2.02 0.00 0.00 63.50 61.44 1j21 n PRO 171 Cb 0.00 0.00 -0.01 0.00 -0.02 0.00 0.00 33.50 33.47 1j21 n PRO 171 CO 0.00 0.00 0.00 1.52 1.98 0.00 0.00 175.50 179.00 1j21 s TYR 172 N -0.28 -0.14 0.12 6.00 -0.85 -1.26 -1.41 117.35 119.52 1j21 s TYR 172 Ca 0.00 -0.15 0.03 0.00 -0.52 0.00 0.00 57.07 56.43 1j21 s TYR 172 Cb 0.00 0.63 -0.04 0.00 0.38 0.00 0.00 41.96 42.93 1j21 s TYR 172 CO 0.00 -0.81 0.14 0.45 -1.52 0.00 0.00 175.55 173.81 1j21 s SER 173 N -2.91 5.71 0.03 -0.18 0.15 0.11 -4.95 113.70 111.67 1j21 s SER 173 Ca 0.12 -0.01 0.02 0.00 0.70 0.00 0.00 55.95 56.78 1j21 s SER 173 Cb -0.01 -1.57 -0.02 0.00 -1.71 0.00 0.00 66.02 62.71 1j21 s SER 173 CO 0.01 0.11 -0.07 -0.04 1.20 0.00 0.00 173.24 174.46 1j21 s MET 174 N -2.80 0.48 -0.06 5.44 -1.94 -1.26 -1.97 119.30 117.19 1j21 s MET 174 Ca 0.31 -0.68 -0.01 0.00 -1.71 0.00 0.00 55.69 53.60 1j21 s MET 174 Cb -0.11 -0.24 0.03 0.00 2.01 0.00 0.00 34.83 36.51 1j21 s MET 174 CO 0.24 0.04 0.01 0.34 -0.01 0.00 0.00 175.02 175.64 1j21 s ASP 175 N -1.43 1.38 -0.05 3.03 3.68 -0.66 -4.94 116.67 117.68 1j21 s ASP 175 Ca -0.10 -0.04 0.04 0.00 2.13 0.00 0.00 52.55 54.58 1j21 s ASP 175 Cb -0.09 -0.35 0.00 0.00 -1.45 0.00 0.00 42.92 41.02 1j21 s ASP 175 CO 0.00 -0.20 -0.16 0.00 0.13 0.00 0.00 175.17 174.94 1j21 s ALA 176 N 1.92 1.50 0.36 3.66 0.00 -1.26 0.18 121.76 128.12 1j21 s ALA 176 Ca 0.03 -0.65 -0.03 0.00 0.00 0.00 0.00 51.96 51.32 1j21 s ALA 176 Cb -0.12 -0.54 0.01 0.00 0.00 0.00 0.00 23.12 22.47 1j21 s ALA 176 CO -0.04 0.24 0.52 0.27 0.00 0.00 0.00 175.76 176.75 1j21 n ASN 177 N 3.31 -1.47 0.03 0.00 0.23 -0.47 -3.65 115.26 113.24 1j21 n ASN 177 Ca -0.19 -2.88 0.22 0.00 -0.53 0.00 0.00 54.58 51.20 1j21 n ASN 177 Cb 0.53 2.69 0.73 0.00 -2.08 0.00 0.00 39.78 41.65 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 0.12 -4.53 3.38 -0.70 -2.80 115.31 110.77 1j21 h LEU 178 Ca -0.28 0.00 -0.33 0.00 0.09 0.00 0.00 57.88 57.36 1j21 h LEU 178 Cb 1.20 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.94 1j21 h LEU 178 CO 0.38 0.00 -1.71 0.25 0.09 0.00 0.00 178.44 177.44 1j21 h LEU 179 N 0.00 0.39 0.00 1.67 6.46 -1.90 -3.46 115.31 118.47 1j21 h LEU 179 Ca 0.25 -0.64 0.03 0.00 -0.12 0.00 0.00 57.88 57.39 1j21 h LEU 179 Cb 1.18 -0.13 -0.00 0.00 -0.73 0.00 0.00 40.66 40.98 1j21 h LEU 179 CO -0.00 1.55 0.11 0.00 -0.62 0.00 0.00 178.44 179.49 1j21 n HIS 180 N -3.43 -0.83 -3.74 1.25 1.44 -1.06 -4.58 115.22 104.27 1j21 n HIS 180 Ca -0.22 -0.29 -0.19 0.00 -2.01 0.00 0.00 57.72 55.01 1j21 n HIS 180 Cb 1.05 0.14 -0.17 0.00 0.12 0.00 0.00 29.99 31.13 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 -2.52 0.00 -0.05 0.61 1.01 -1.08 -1.37 121.20 117.80 1j21 s ILE 181 Ca 0.05 0.30 -0.04 0.00 0.00 0.00 0.00 60.65 60.96 1j21 s ILE 181 Cb -0.01 -0.20 -0.04 0.00 0.01 0.00 0.00 42.46 42.22 1j21 s ILE 181 CO 0.01 0.17 0.16 -0.55 0.00 0.00 0.00 174.94 174.73 1j21 s SER 182 N 1.78 6.32 -0.05 3.58 0.15 0.13 -2.68 113.70 122.93 1j21 s SER 182 Ca 0.00 0.37 0.02 0.00 0.70 0.00 0.00 55.95 57.04 1j21 s SER 182 Cb -0.12 -1.99 0.02 0.00 -1.71 0.00 0.00 66.02 62.21 1j21 s SER 182 CO -0.03 0.31 -0.08 -0.31 1.20 0.00 0.00 173.24 174.34 1j21 s TYR 183 N -1.21 0.99 0.12 3.44 1.51 0.11 -1.65 117.35 120.65 1j21 s TYR 183 Ca 0.23 -0.31 -0.25 0.00 -1.01 0.00 0.00 57.07 55.73 1j21 s TYR 183 Cb -0.12 -0.78 0.07 0.00 -0.11 0.00 0.00 41.96 41.02 1j21 s TYR 183 CO 0.13 -0.20 0.79 -1.83 -1.11 0.00 0.00 175.55 173.34 1j21 s GLU 184 N 0.70 1.18 0.00 -0.62 -1.05 -0.83 -0.85 118.70 117.23 1j21 s GLU 184 Ca -0.11 -0.53 0.00 0.00 -0.15 0.00 0.00 54.97 54.18 1j21 s GLU 184 Cb -0.14 0.48 0.00 0.00 -0.44 0.00 0.00 34.13 34.03 1j21 s GLU 184 CO 0.01 -0.53 0.00 0.41 0.95 0.00 0.00 175.26 176.11 1j21 n GLY 185 N -0.36 -0.64 7.00 -3.83 0.00 -1.26 0.09 105.19 106.19 1j21 n GLY 185 Ca -0.10 -1.75 0.00 0.00 0.00 0.00 0.00 46.02 44.17 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 -0.65 3.34 0.29 -0.02 0.00 -1.26 -1.42 105.19 105.46 1j21 n GLY 186 Ca 0.00 -0.07 0.14 0.00 0.00 0.00 0.00 46.02 46.09 1j21 n GLY 186 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1j21 h VAL 187 N 0.00 0.60 0.00 1.61 2.07 -1.62 -1.54 116.25 117.38 1j21 h VAL 187 Ca 0.00 -0.09 0.00 0.00 0.82 0.00 0.00 66.70 67.43 1j21 h VAL 187 Cb 0.00 1.05 0.00 0.00 -1.52 0.00 0.00 31.29 30.82 1j21 h VAL 187 CO 0.00 0.02 0.00 0.18 0.02 0.00 0.00 177.57 177.79 1j21 n LEU 188 N -3.91 0.00 0.18 2.57 4.32 -0.51 -3.30 117.00 116.35 1j21 n LEU 188 Ca -0.03 0.50 0.14 0.00 -0.02 0.00 0.00 56.01 56.60 1j21 n LEU 188 Cb 0.11 -0.50 0.59 0.00 -1.62 0.00 0.00 43.42 41.99 1j21 n LEU 188 CO 0.29 -0.19 0.91 -0.33 -1.22 0.00 0.00 177.39 176.84 1j21 h GLU 189 N 0.00 0.00 -5.22 3.23 5.08 -1.34 -3.39 114.58 112.94 1j21 h GLU 189 Ca 0.00 0.00 -0.66 0.00 -1.00 0.00 0.00 59.36 57.70 1j21 h GLU 189 Cb 0.31 0.00 -0.16 0.00 0.50 0.00 0.00 28.75 29.40 1j21 h GLU 189 CO 0.00 0.00 0.18 0.34 -1.00 0.00 0.00 179.01 178.53 1j21 s ASP 190 N -4.66 6.26 0.34 1.42 3.68 -1.21 -4.89 116.67 117.61 1j21 s ASP 190 Ca 0.02 -0.72 0.22 0.00 2.13 0.00 0.00 52.55 54.20 1j21 s ASP 190 Cb 0.09 -2.33 1.20 0.00 -1.45 0.00 0.00 42.92 40.43 1j21 s ASP 190 CO 0.42 -0.96 1.67 1.55 0.13 0.00 0.00 175.17 177.98 1j21 h PRO 191 N 9.06 0.00 0.00 4.34 0.13 -1.92 -1.10 132.00 142.51 1j21 h PRO 191 Ca -0.27 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.86 1j21 h PRO 191 Cb 1.09 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.22 1j21 h PRO 191 CO 0.99 0.00 -0.78 1.87 -0.23 0.00 0.00 178.00 179.85 1j21 n TRP 192 N -2.28 0.07 -3.36 1.56 -0.00 -1.26 -4.89 117.44 107.28 1j21 n TRP 192 Ca -0.01 0.02 -0.38 0.00 -0.00 0.00 0.00 57.50 57.13 1j21 n TRP 192 Cb 0.06 -0.22 -0.07 0.00 -0.00 0.00 0.00 31.31 31.07 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 -3.05 3.53 0.40 5.87 0.00 -0.42 -5.06 121.76 123.03 1j21 s ALA 193 Ca 0.08 -0.38 -0.26 0.00 0.00 0.00 0.00 51.96 51.41 1j21 s ALA 193 Cb 0.16 -2.63 -0.09 0.00 0.00 0.00 0.00 23.12 20.56 1j21 s ALA 193 CO 0.78 -0.17 1.21 -2.00 0.00 0.00 0.00 175.76 175.58 1j21 s GLU 194 N 1.02 4.05 0.63 0.00 2.12 -1.26 -4.91 118.70 120.35 1j21 s GLU 194 Ca 0.22 1.94 -0.18 0.00 0.36 0.00 0.00 54.97 57.31 1j21 s GLU 194 Cb -0.15 -2.73 -0.04 0.00 0.26 0.00 0.00 34.13 31.48 1j21 s GLU 194 CO 0.08 -0.35 1.01 -2.30 -0.54 0.00 0.00 175.26 173.17 1j21 n PRO 195 N 0.15 0.87 -1.89 4.30 -0.02 -1.26 -4.92 135.00 132.23 1j21 n PRO 195 Ca 0.04 0.34 -0.36 0.00 -2.02 0.00 0.00 63.50 61.50 1j21 n PRO 195 Cb 0.45 -2.23 0.05 0.00 -0.02 0.00 0.00 33.50 31.75 1j21 n PRO 195 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 1j21 s PRO 196 N -2.93 2.78 0.56 0.52 0.04 -1.26 -4.96 135.00 129.75 1j21 s PRO 196 Ca 0.77 1.94 -0.21 0.00 0.04 0.00 0.00 61.00 63.54 1j21 s PRO 196 Cb -0.40 -1.89 -0.04 0.00 0.04 0.00 0.00 34.50 32.20 1j21 s PRO 196 CO 0.46 -1.39 1.36 1.63 0.04 0.00 0.00 177.00 179.10 1j21 n LYS 197 N -1.73 1.65 -1.13 4.56 5.02 -1.26 -2.76 118.16 122.51 1j21 n LYS 197 Ca 0.15 0.61 -0.04 0.00 -2.02 0.00 0.00 58.31 57.00 1j21 n LYS 197 Cb 0.49 -2.58 -0.02 0.00 -0.02 0.00 0.00 35.03 32.90 1j21 n LYS 197 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1j21 n GLY 198 N 0.76 0.60 0.24 0.72 0.00 -1.26 -4.90 105.19 101.35 1j21 n GLY 198 Ca 0.11 -0.14 -0.13 0.00 0.00 0.00 0.00 46.02 45.86 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 0.24 0.82 -6.99 1.61 -1.53 -1.90 -3.45 114.93 103.74 1j21 h MET 199 Ca -0.09 -0.43 -0.54 0.00 -3.44 0.00 0.00 59.70 55.20 1j21 h MET 199 Cb 0.71 0.01 0.11 0.00 -0.55 0.00 0.00 31.60 31.88 1j21 h MET 199 CO 0.13 1.06 0.65 -0.06 0.14 0.00 0.00 176.91 178.83 1j21 s PHE 200 N -4.40 2.54 0.00 1.39 0.40 -1.26 -4.95 117.98 111.70 1j21 s PHE 200 Ca -0.12 1.34 0.00 0.00 -0.60 0.00 0.00 56.93 57.55 1j21 s PHE 200 Cb 0.10 -3.80 0.00 0.00 0.51 0.00 0.00 43.02 39.83 1j21 s PHE 200 CO 0.85 -2.62 0.00 0.54 0.70 0.00 0.00 175.22 174.69 1j21 n ARG 201 N -0.29 1.04 0.19 0.44 1.74 -1.26 -4.76 116.66 113.77 1j21 n ARG 201 Ca 0.06 0.00 0.10 0.00 -0.77 0.00 0.00 57.85 57.24 1j21 n ARG 201 Cb 0.43 -0.89 0.13 0.00 -1.02 0.00 0.00 32.46 31.11 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 -5.56 5.56 4.05 -1.95 -3.45 114.93 113.58 1j21 h MET 202 Ca 0.00 0.00 -0.51 0.00 -0.28 0.00 0.00 59.70 58.91 1j21 h MET 202 Cb 0.79 0.00 -0.27 0.00 -0.80 0.00 0.00 31.60 31.32 1j21 h MET 202 CO 0.00 0.10 -0.82 0.95 0.23 0.00 0.00 176.91 177.37 1j21 s THR 203 N -3.17 1.29 0.44 -0.77 -4.23 -1.26 -4.59 115.64 103.35 1j21 s THR 203 Ca 0.06 -0.91 -0.21 0.00 -1.18 0.00 0.00 61.69 59.45 1j21 s THR 203 Cb 0.06 -1.12 -0.10 0.00 1.34 0.00 0.00 72.50 72.68 1j21 s THR 203 CO 0.69 0.20 0.98 -1.58 -0.54 0.00 0.00 174.62 174.37 1j21 s GLN 204 N -0.82 4.12 0.30 3.99 0.74 -0.47 -4.84 119.66 122.68 1j21 s GLN 204 Ca 0.05 1.20 -0.29 0.00 0.05 0.00 0.00 55.36 56.37 1j21 s GLN 204 Cb -0.07 -2.18 -0.10 0.00 1.10 0.00 0.00 33.01 31.76 1j21 s GLN 204 CO 0.01 -0.13 1.30 -0.51 -0.55 0.00 0.00 175.29 175.41 1j21 s ASP 205 N -2.10 6.82 0.50 6.67 1.01 -1.26 -3.29 116.67 125.02 1j21 s ASP 205 Ca 0.63 2.61 0.24 0.00 0.71 0.00 0.00 52.55 56.74 1j21 s ASP 205 Cb -0.11 -2.64 1.32 0.00 1.01 0.00 0.00 42.92 42.49 1j21 s ASP 205 CO 0.15 -0.52 1.93 -0.65 0.21 0.00 0.00 175.17 176.29 1j21 h PRO 206 N 3.91 0.13 0.00 8.23 0.11 -1.84 0.43 132.00 142.96 1j21 h PRO 206 Ca -0.48 -0.01 -0.02 0.00 0.11 0.00 0.00 66.00 65.60 1j21 h PRO 206 Cb 1.22 -0.03 -0.00 0.00 0.11 0.00 0.00 31.00 32.30 1j21 h PRO 206 CO 0.69 0.09 -0.10 0.93 -0.21 0.00 0.00 178.00 179.39 1j21 h GLU 207 N 0.13 0.00 -0.02 1.05 3.07 -1.94 -2.12 114.58 114.76 1j21 h GLU 207 Ca 0.36 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.22 1j21 h GLU 207 Cb 1.23 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.14 1j21 h GLU 207 CO -0.05 0.10 -0.22 0.39 -1.40 0.00 0.00 179.01 177.83 1j21 n GLU 208 N -4.02 1.59 -1.47 2.33 -0.58 0.14 -5.00 120.64 113.63 1j21 n GLU 208 Ca -0.02 -1.20 -0.32 0.00 -0.42 0.00 0.00 57.16 55.20 1j21 n GLU 208 Cb 0.19 -1.35 0.08 0.00 -0.57 0.00 0.00 31.44 29.78 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 -1.88 2.30 0.49 0.62 0.00 -0.48 -4.93 121.76 117.88 1j21 s ALA 209 Ca 0.18 0.45 -0.21 0.00 0.00 0.00 0.00 51.96 52.38 1j21 s ALA 209 Cb 0.15 -3.32 -0.09 0.00 0.00 0.00 0.00 23.12 19.86 1j21 s ALA 209 CO 0.37 -1.60 0.79 -2.30 0.00 0.00 0.00 175.76 173.01 1j21 n PRO 210 N -3.00 0.90 0.18 0.00 -0.02 -1.26 -4.90 135.00 126.90 1j21 n PRO 210 Ca 0.10 0.33 0.13 0.00 -2.02 0.00 0.00 63.50 62.04 1j21 n PRO 210 Cb 0.52 -1.87 0.27 0.00 -0.02 0.00 0.00 33.50 32.40 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 0.88 0.00 -3.54 2.55 3.32 -1.97 -3.42 116.42 114.24 1j21 h ASP 211 Ca -0.45 0.00 -0.61 0.00 0.02 0.00 0.00 57.03 55.99 1j21 h ASP 211 Cb 1.37 0.00 -0.13 0.00 0.22 0.00 0.00 39.33 40.79 1j21 h ASP 211 CO 0.52 0.00 -0.37 0.00 -1.72 0.00 0.00 179.24 177.68 1j21 s ALA 212 N -3.20 3.59 0.70 3.45 0.00 -1.26 -5.07 121.76 119.97 1j21 s ALA 212 Ca 0.08 -0.73 -0.14 0.00 0.00 0.00 0.00 51.96 51.17 1j21 s ALA 212 Cb 0.08 -2.47 0.02 0.00 0.00 0.00 0.00 23.12 20.75 1j21 s ALA 212 CO 0.64 -0.25 1.12 -1.25 0.00 0.00 0.00 175.76 176.01 1j21 s PRO 213 N 1.19 2.55 -0.07 0.00 0.04 -1.26 -4.96 135.00 132.49 1j21 s PRO 213 Ca 0.13 1.38 0.04 0.00 0.04 0.00 0.00 61.00 62.59 1j21 s PRO 213 Cb -0.14 -1.92 -0.00 0.00 0.04 0.00 0.00 34.50 32.48 1j21 s PRO 213 CO 0.06 -1.45 -0.20 -2.00 0.04 0.00 0.00 177.00 173.45 1j21 s GLU 214 N -4.27 2.33 0.03 4.56 2.12 -0.41 -4.93 118.70 118.12 1j21 s GLU 214 Ca 0.66 -0.72 -0.14 0.00 0.36 0.00 0.00 54.97 55.14 1j21 s GLU 214 Cb -0.21 -1.89 -0.06 0.00 0.26 0.00 0.00 34.13 32.24 1j21 s GLU 214 CO 0.46 0.21 0.42 0.71 -0.54 0.00 0.00 175.26 176.52 1j21 s TYR 215 N 0.21 3.69 -0.03 5.30 1.51 -1.26 0.20 117.35 126.96 1j21 s TYR 215 Ca -0.11 0.96 -0.02 0.00 -1.01 0.00 0.00 57.07 56.89 1j21 s TYR 215 Cb -0.15 -2.27 0.01 0.00 -0.11 0.00 0.00 41.96 39.45 1j21 s TYR 215 CO 0.05 0.60 0.08 0.08 -1.11 0.00 0.00 175.55 175.25 1j21 s VAL 216 N -1.18 -0.01 -0.06 0.71 1.01 0.48 -4.98 120.40 116.37 1j21 s VAL 216 Ca 0.27 0.05 0.03 0.00 0.00 0.00 0.00 61.98 62.33 1j21 s VAL 216 Cb -0.16 -0.13 -0.02 0.00 0.00 0.00 0.00 36.38 36.07 1j21 s VAL 216 CO 0.15 0.02 -0.16 -1.61 0.00 0.00 0.00 175.10 173.50 1j21 s GLU 217 N 0.32 2.66 -0.13 2.72 2.02 -1.26 -0.65 118.70 124.37 1j21 s GLU 217 Ca -0.02 -0.73 0.00 0.00 0.02 0.00 0.00 54.97 54.24 1j21 s GLU 217 Cb -0.03 -2.38 0.02 0.00 0.10 0.00 0.00 34.13 31.84 1j21 s GLU 217 CO -0.01 0.51 -0.12 0.08 0.02 0.00 0.00 175.26 175.74 1j21 s VAL 218 N -0.45 1.34 -0.08 2.63 1.01 -0.44 -0.36 120.40 124.06 1j21 s VAL 218 Ca 0.05 -0.50 -0.16 0.00 0.00 0.00 0.00 61.98 61.37 1j21 s VAL 218 Cb -0.12 -1.29 -0.05 0.00 0.00 0.00 0.00 36.38 34.93 1j21 s VAL 218 CO 0.02 0.42 0.42 -0.70 0.00 0.00 0.00 175.10 175.25 1j21 s GLU 219 N 1.47 4.18 -0.14 2.72 2.12 -0.06 -1.04 118.70 127.94 1j21 s GLU 219 Ca 0.03 0.37 -0.02 0.00 0.36 0.00 0.00 54.97 55.71 1j21 s GLU 219 Cb -0.13 -3.36 -0.02 0.00 0.26 0.00 0.00 34.13 30.88 1j21 s GLU 219 CO -0.08 0.36 -0.09 -0.06 -0.54 0.00 0.00 175.26 174.85 1j21 s PHE 220 N -0.02 2.90 0.00 5.30 0.40 0.15 -0.95 117.98 125.76 1j21 s PHE 220 Ca 0.23 -0.50 0.00 0.00 -0.60 0.00 0.00 56.93 56.06 1j21 s PHE 220 Cb -0.15 -1.89 0.00 0.00 0.51 0.00 0.00 43.02 41.48 1j21 s PHE 220 CO 0.10 -0.14 0.00 0.34 0.70 0.00 0.00 175.22 176.22 1j21 n PHE 221 N 3.54 0.00 -3.07 0.36 7.35 -0.29 -1.39 117.46 123.95 1j21 n PHE 221 Ca -0.18 0.00 -0.27 0.00 -0.76 0.00 0.00 57.45 56.24 1j21 n PHE 221 Cb 0.53 0.00 -0.05 0.00 0.35 0.00 0.00 39.48 40.31 1j21 n PHE 221 CO 0.00 0.00 0.00 0.39 -0.76 0.00 0.00 176.76 176.39 1j21 n GLU 222 N -0.71 2.98 0.00 -4.13 1.02 -1.25 -3.30 120.64 115.25 1j21 n GLU 222 Ca 0.00 -4.76 0.00 0.00 -0.02 0.00 0.00 57.16 52.38 1j21 n GLU 222 Cb 0.00 -2.22 0.00 0.00 -0.02 0.00 0.00 31.44 29.20 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 0.05 2.10 3.40 0.62 0.00 -0.58 -4.26 105.19 106.53 1j21 n GLY 223 Ca 0.30 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 46.02 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 -1.42 3.52 0.01 1.61 1.01 -1.26 -4.67 116.67 115.47 1j21 s ASP 224 Ca 0.00 -0.45 -0.30 0.00 0.71 0.00 0.00 52.55 52.51 1j21 s ASP 224 Cb 0.00 -0.50 -0.05 0.00 1.01 0.00 0.00 42.92 43.37 1j21 s ASP 224 CO 0.00 0.28 1.36 -2.16 0.21 0.00 0.00 175.17 174.86 1j21 s PRO 225 N -1.15 4.31 0.00 8.23 0.04 -1.26 -1.14 135.00 144.02 1j21 s PRO 225 Ca 0.13 1.92 0.01 0.00 0.04 0.00 0.00 61.00 63.10 1j21 s PRO 225 Cb -0.10 -3.52 -0.01 0.00 0.04 0.00 0.00 34.50 30.91 1j21 s PRO 225 CO 0.03 -0.52 0.08 1.33 0.04 0.00 0.00 177.00 177.96 1j21 n VAL 226 N 4.52 0.00 -3.58 -0.36 0.24 -0.13 -4.81 118.33 114.22 1j21 n VAL 226 Ca 0.12 -0.48 -0.16 0.00 -2.04 0.00 0.00 64.34 61.78 1j21 n VAL 226 Cb 0.44 1.00 -0.07 0.00 -1.47 0.00 0.00 33.84 33.75 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 -1.01 -1.63 -0.12 2.33 0.00 -1.18 -2.19 121.76 117.96 1j21 s ALA 227 Ca 0.00 1.34 0.01 0.00 0.00 0.00 0.00 51.96 53.31 1j21 s ALA 227 Cb 0.01 -0.25 0.02 0.00 0.00 0.00 0.00 23.12 22.90 1j21 s ALA 227 CO 0.04 -0.34 -0.15 0.08 0.00 0.00 0.00 175.76 175.38 1j21 s VAL 228 N -0.84 1.57 -1.56 0.00 1.01 -0.62 -0.88 120.40 119.07 1j21 s VAL 228 Ca -0.09 -0.67 -0.11 0.00 0.00 0.00 0.00 61.98 61.11 1j21 s VAL 228 Cb -0.02 -1.44 0.09 0.00 0.00 0.00 0.00 36.38 35.01 1j21 s VAL 228 CO 0.07 0.46 0.73 0.59 0.00 0.00 0.00 175.10 176.95 1j21 n ASN 229 N 4.36 -2.71 0.00 3.32 3.02 0.52 -0.84 115.26 122.93 1j21 n ASN 229 Ca -0.18 -0.94 0.00 0.00 -0.03 0.00 0.00 54.58 53.42 1j21 n ASN 229 Cb 0.51 -3.18 0.00 0.00 -0.61 0.00 0.00 39.78 36.50 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 -1.64 2.92 3.62 7.41 0.00 -1.26 -4.99 105.19 111.23 1j21 n GLY 230 Ca -0.06 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.55 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 -0.04 4.07 0.12 1.61 2.12 -0.02 -5.02 118.70 121.53 1j21 s GLU 231 Ca 0.00 0.45 -0.31 0.00 0.36 0.00 0.00 54.97 55.47 1j21 s GLU 231 Cb 0.00 -3.66 -0.09 0.00 0.26 0.00 0.00 34.13 30.64 1j21 s GLU 231 CO 0.00 -0.42 1.53 1.03 -0.54 0.00 0.00 175.26 176.86 1j21 s ARG 232 N 2.48 4.24 0.00 4.30 1.81 -1.26 -1.60 118.95 128.92 1j21 s ARG 232 Ca 0.25 2.26 0.02 0.00 -1.72 0.00 0.00 55.73 56.53 1j21 s ARG 232 Cb -0.15 -3.31 -0.01 0.00 -0.45 0.00 0.00 34.95 31.03 1j21 s ARG 232 CO 0.09 -0.59 -0.06 -0.51 -0.68 0.00 0.00 175.30 173.55 1j21 s LEU 233 N 1.55 2.05 0.76 2.53 1.43 -0.93 -4.96 118.68 121.11 1j21 s LEU 233 Ca 0.69 -0.17 -0.13 0.00 -1.03 0.00 0.00 54.13 53.50 1j21 s LEU 233 Cb -0.40 -0.27 0.05 0.00 0.03 0.00 0.00 46.19 45.60 1j21 s LEU 233 CO 0.31 0.03 1.14 -0.94 0.23 0.00 0.00 176.35 177.11 1j21 s SER 234 N -0.34 4.29 0.21 2.29 1.04 -1.26 -4.59 113.70 115.34 1j21 s SER 234 Ca 0.00 2.07 -0.18 0.00 0.48 0.00 0.00 55.95 58.33 1j21 s SER 234 Cb -0.03 -2.56 0.20 0.00 0.10 0.00 0.00 66.02 63.74 1j21 s SER 234 CO -0.00 -2.18 1.58 -0.65 0.98 0.00 0.00 173.24 172.97 1j21 h PRO 235 N -0.74 -0.08 -0.47 4.02 0.11 -1.92 0.47 132.00 133.39 1j21 h PRO 235 Ca -0.45 0.01 -0.13 0.00 0.11 0.00 0.00 66.00 65.53 1j21 h PRO 235 Cb 1.26 0.02 -0.01 0.00 0.11 0.00 0.00 31.00 32.37 1j21 h PRO 235 CO 0.50 -0.05 -0.22 0.00 -0.21 0.00 0.00 178.00 178.01 1j21 h ALA 236 N 1.28 0.66 -0.15 -0.75 0.00 -1.85 -1.08 119.26 117.37 1j21 h ALA 236 Ca 0.30 -0.40 -0.08 0.00 0.00 0.00 0.00 54.91 54.74 1j21 h ALA 236 Cb 0.57 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 1j21 h ALA 236 CO -0.79 0.66 -0.24 0.00 0.00 0.00 0.00 179.25 178.88 1j21 h ALA 237 N 0.86 1.31 -0.11 0.00 0.00 -1.66 -1.37 119.26 118.29 1j21 h ALA 237 Ca 0.11 -0.30 -0.13 0.00 0.00 0.00 0.00 54.91 54.58 1j21 h ALA 237 Cb 0.81 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 18.51 1j21 h ALA 237 CO 0.07 0.47 -0.45 1.25 0.00 0.00 0.00 179.25 180.58 1j21 h LEU 238 N 0.25 0.60 -0.66 0.00 6.46 0.14 -1.09 115.31 121.00 1j21 h LEU 238 Ca 0.04 -0.62 -0.05 0.00 -0.12 0.00 0.00 57.88 57.13 1j21 h LEU 238 Cb 0.57 -0.18 -0.03 0.00 -0.73 0.00 0.00 40.66 40.30 1j21 h LEU 238 CO 0.04 1.12 0.21 0.25 -0.62 0.00 0.00 178.44 179.44 1j21 h LEU 239 N 0.11 0.95 -0.18 2.25 6.46 -1.10 -1.67 115.31 122.12 1j21 h LEU 239 Ca -0.02 -0.20 0.01 0.00 -0.12 0.00 0.00 57.88 57.54 1j21 h LEU 239 Cb 1.09 -0.25 -0.01 0.00 -0.73 0.00 0.00 40.66 40.76 1j21 h LEU 239 CO 0.10 0.90 0.09 -0.61 -0.62 0.00 0.00 178.44 178.29 1j21 h GLN 240 N 0.95 0.18 -0.42 1.25 5.75 -1.23 -1.18 115.11 120.42 1j21 h GLN 240 Ca 0.21 -0.01 0.04 0.00 -0.15 0.00 0.00 58.65 58.74 1j21 h GLN 240 Cb 0.28 -0.04 -0.04 0.00 1.07 0.00 0.00 27.48 28.75 1j21 h GLN 240 CO -0.01 0.12 0.20 -0.09 -2.65 0.00 0.00 178.83 176.40 1j21 h ARG 241 N 0.19 0.39 0.00 1.69 9.65 -0.83 -1.91 114.38 123.56 1j21 h ARG 241 Ca 0.07 -0.02 -0.02 0.00 -1.10 0.00 0.00 59.98 58.91 1j21 h ARG 241 Cb 0.02 -0.09 -0.00 0.00 -1.39 0.00 0.00 29.97 28.51 1j21 h ARG 241 CO -0.05 0.26 -0.10 -0.07 2.80 0.00 0.00 179.97 182.80 1j21 h LEU 242 N 0.40 0.00 -0.21 3.80 3.38 -1.10 -1.84 115.31 119.74 1j21 h LEU 242 Ca 0.18 0.00 -0.21 0.00 0.09 0.00 0.00 57.88 57.94 1j21 h LEU 242 Cb 0.10 0.00 0.01 0.00 0.09 0.00 0.00 40.66 40.86 1j21 h LEU 242 CO -0.14 0.10 -0.68 0.78 0.09 0.00 0.00 178.44 178.59 1j21 h ASN 243 N 0.00 0.96 0.62 -0.43 2.35 -0.47 -0.38 115.58 118.23 1j21 h ASN 243 Ca -0.00 -0.59 -0.03 0.00 -0.55 0.00 0.00 56.30 55.13 1j21 h ASN 243 Cb 0.57 -0.28 0.01 0.00 0.05 0.00 0.00 38.32 38.67 1j21 h ASN 243 CO 0.01 1.38 -0.30 -0.33 -1.65 0.00 0.00 177.43 176.55 1j21 h GLU 244 N 0.58 -0.80 0.15 0.81 5.08 -0.92 1.02 114.58 120.50 1j21 h GLU 244 Ca -0.03 0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.39 1j21 h GLU 244 Cb 1.31 0.18 -0.01 0.00 0.50 0.00 0.00 28.75 30.72 1j21 h GLU 244 CO 0.14 -0.49 -0.15 0.82 -1.00 0.00 0.00 179.01 178.34 1j21 h ILE 245 N -1.00 0.67 -0.29 3.13 2.04 -1.43 -1.52 117.51 119.12 1j21 h ILE 245 Ca -0.08 0.00 -0.11 0.00 1.00 0.00 0.00 64.86 65.67 1j21 h ILE 245 Cb 0.68 0.67 -0.01 0.00 -0.74 0.00 0.00 36.82 37.42 1j21 h ILE 245 CO 0.14 0.00 -0.27 1.23 0.00 0.00 0.00 178.15 179.25 1j21 h GLY 246 N -0.32 0.63 1.02 5.37 0.00 -1.09 -3.10 103.07 105.58 1j21 h GLY 246 Ca 0.00 -0.54 -0.06 0.00 0.00 0.00 0.00 47.33 46.74 1j21 h GLY 246 CO -0.04 0.49 0.17 -1.33 0.00 0.00 0.00 176.54 175.83 1j21 h GLY 247 N 1.02 1.05 1.55 4.60 0.00 0.13 -2.26 103.07 109.16 1j21 h GLY 247 Ca 0.07 -0.65 0.05 0.00 0.00 0.00 0.00 47.33 46.80 1j21 h GLY 247 CO 0.06 0.60 0.17 -0.09 0.00 0.00 0.00 176.54 177.28 1j21 h ARG 248 N 0.90 0.00 -0.39 4.80 2.43 -1.20 0.56 114.38 121.48 1j21 h ARG 248 Ca 0.20 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.37 1j21 h ARG 248 Cb 0.33 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.88 1j21 h ARG 248 CO -0.00 0.00 0.00 0.72 -1.51 0.00 0.00 179.97 179.18 1j21 n HIS 249 N -4.06 0.51 -1.90 2.20 8.25 -0.90 -4.37 115.22 114.95 1j21 n HIS 249 Ca 0.02 -0.25 -0.13 0.00 -0.26 0.00 0.00 57.72 57.09 1j21 n HIS 249 Cb 0.30 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.39 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 1.46 0.45 3.79 -1.41 0.00 0.06 -0.17 105.19 109.37 1j21 n GLY 250 Ca 0.19 -0.37 -0.35 0.00 0.00 0.00 0.00 46.02 45.48 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 -2.58 4.15 0.00 1.61 1.01 -0.90 -4.10 120.40 119.58 1j21 s VAL 251 Ca 0.00 1.58 0.00 0.00 0.00 0.00 0.00 61.98 63.56 1j21 s VAL 251 Cb 0.00 -3.78 0.00 0.00 0.00 0.00 0.00 36.38 32.60 1j21 s VAL 251 CO 0.00 -0.06 0.00 0.61 0.00 0.00 0.00 175.10 175.65 1j21 n GLY 252 N 0.07 0.96 3.74 4.51 0.00 -1.26 -3.27 105.19 109.95 1j21 n GLY 252 Ca 0.05 -0.54 -0.37 0.00 0.00 0.00 0.00 46.02 45.16 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 -2.35 4.24 0.01 1.61 0.52 -1.26 -0.22 118.95 121.51 1j21 s ARG 253 Ca 0.00 0.23 0.04 0.00 -0.52 0.00 0.00 55.73 55.48 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 0.26 -0.12 0.08 0.02 0.00 0.00 175.30 175.54 1j21 s VAL 254 N 0.37 0.92 -0.24 3.52 1.01 0.14 -4.99 120.40 121.14 1j21 s VAL 254 Ca 0.20 -0.64 -0.02 0.00 0.00 0.00 0.00 61.98 61.53 1j21 s VAL 254 Cb -0.14 -0.80 0.07 0.00 0.00 0.00 0.00 36.38 35.52 1j21 s VAL 254 CO 0.07 0.16 0.04 -0.62 0.00 0.00 0.00 175.10 174.74 1j21 s ASP 255 N -0.55 3.42 0.07 3.32 -1.08 -1.26 -0.38 116.67 120.21 1j21 s ASP 255 Ca 0.03 -1.14 0.00 0.00 -0.52 0.00 0.00 52.55 50.92 1j21 s ASP 255 Cb -0.05 -0.77 -0.04 0.00 -1.46 0.00 0.00 42.92 40.60 1j21 s ASP 255 CO 0.00 -0.33 -0.04 0.27 0.52 0.00 0.00 175.17 175.59 1j21 s ILE 256 N 1.71 0.40 -0.29 4.11 -4.36 -0.42 -5.01 121.20 117.35 1j21 s ILE 256 Ca 0.02 -1.87 -0.05 0.00 -0.26 0.00 0.00 60.65 58.49 1j21 s ILE 256 Cb -0.17 -1.62 0.02 0.00 1.25 0.00 0.00 42.46 41.94 1j21 s ILE 256 CO -0.13 -0.92 0.04 -0.69 0.24 0.00 0.00 174.94 173.48 1j21 s VAL 257 N -3.81 3.60 0.27 8.37 1.01 -1.26 0.25 120.40 128.83 1j21 s VAL 257 Ca 0.10 -0.86 0.07 0.00 0.00 0.00 0.00 61.98 61.30 1j21 s VAL 257 Cb 0.07 -2.88 -0.04 0.00 0.00 0.00 0.00 36.38 33.54 1j21 s VAL 257 CO -0.07 0.08 0.20 -1.83 0.00 0.00 0.00 175.10 173.47 1j21 s GLU 258 N 1.43 2.85 -0.28 2.72 -1.05 0.13 -4.89 118.70 119.61 1j21 s GLU 258 Ca 0.01 -1.12 -0.15 0.00 -0.15 0.00 0.00 54.97 53.56 1j21 s GLU 258 Cb -0.17 -2.52 -0.03 0.00 -0.44 0.00 0.00 34.13 30.96 1j21 s GLU 258 CO 0.00 0.35 0.39 -0.80 0.95 0.00 0.00 175.26 176.15 1j21 s ASN 259 N -3.85 6.26 0.62 0.83 0.01 -1.26 -1.48 114.94 116.06 1j21 s ASN 259 Ca 0.34 0.24 -0.12 0.00 -0.71 0.00 0.00 52.86 52.62 1j21 s ASN 259 Cb -0.07 -2.22 -0.04 0.00 0.41 0.00 0.00 41.25 39.33 1j21 s ASN 259 CO 0.25 -0.22 1.03 -0.13 -1.51 0.00 0.00 177.10 176.52 1j21 s ARG 260 N 2.10 3.52 0.17 -0.60 0.52 0.17 -4.98 118.95 119.85 1j21 s ARG 260 Ca 0.15 0.82 0.05 0.00 -0.52 0.00 0.00 55.73 56.23 1j21 s ARG 260 Cb -0.16 -2.07 -0.02 0.00 0.52 0.00 0.00 34.95 33.22 1j21 s ARG 260 CO 0.10 -0.63 1.38 0.35 0.02 0.00 0.00 175.30 176.52 1j21 h PHE 261 N -0.24 0.13 0.00 -0.53 3.57 -1.91 -3.01 116.94 114.95 1j21 h PHE 261 Ca -0.44 -0.08 0.00 0.00 3.53 0.00 0.00 57.97 60.98 1j21 h PHE 261 Cb 1.19 -0.01 0.00 0.00 2.79 0.00 0.00 35.95 39.92 1j21 h PHE 261 CO 0.65 0.92 0.00 1.33 -2.23 0.00 0.00 178.31 178.98 1j21 n VAL 262 N -3.57 0.00 -0.12 1.41 0.24 -1.26 -4.81 118.33 110.22 1j21 n VAL 262 Ca -0.02 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.28 1j21 n VAL 262 Cb 0.83 -0.26 0.00 0.00 -1.47 0.00 0.00 33.84 32.94 1j21 n VAL 262 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1j21 n GLY 263 N 0.01 0.64 1.38 7.63 0.00 -1.14 -5.09 105.19 108.62 1j21 n GLY 263 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.90 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 -2.00 1.41 -4.19 1.61 0.00 -1.26 -4.92 117.12 107.78 1j21 n MET 264 Ca 0.00 -1.40 -0.27 0.00 0.00 0.00 0.00 57.70 56.03 1j21 n MET 264 Cb 0.00 0.44 -0.08 0.00 0.00 0.00 0.00 33.22 33.58 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 -2.68 2.46 -0.08 3.17 1.02 -1.26 0.45 119.74 122.81 1j21 s LYS 265 Ca 0.01 -1.05 -0.15 0.00 0.02 0.00 0.00 55.97 54.80 1j21 s LYS 265 Cb 0.00 -2.40 0.03 0.00 -0.52 0.00 0.00 37.83 34.94 1j21 s LYS 265 CO 0.01 0.47 0.36 -1.54 -0.92 0.00 0.00 175.35 173.73 1j21 s SER 266 N -2.88 -0.32 -0.28 2.83 1.04 -0.55 -4.91 113.70 108.63 1j21 s SER 266 Ca 0.27 0.48 -0.22 0.00 0.48 0.00 0.00 55.95 56.96 1j21 s SER 266 Cb -0.10 0.57 -0.01 0.00 0.10 0.00 0.00 66.02 66.59 1j21 s SER 266 CO 0.19 -0.28 0.72 -0.60 0.98 0.00 0.00 173.24 174.24 1j21 s ARG 267 N -0.50 4.04 0.00 4.02 3.00 -1.26 -0.69 118.95 127.56 1j21 s ARG 267 Ca -0.06 0.59 0.06 0.00 -1.00 0.00 0.00 55.73 55.31 1j21 s ARG 267 Cb -0.04 -3.69 -0.02 0.00 0.00 0.00 0.00 34.95 31.21 1j21 s ARG 267 CO 0.02 -0.55 -0.18 0.20 0.00 0.00 0.00 175.30 174.80 1j21 s GLY 268 N 1.53 0.90 -0.14 8.12 0.00 0.14 -4.38 107.32 113.48 1j21 s GLY 268 Ca 0.30 -0.82 0.02 0.00 0.00 0.00 0.00 44.72 44.22 1j21 s GLY 268 CO 0.10 -0.71 -0.22 0.14 0.00 0.00 0.00 173.10 172.41 1j21 s VAL 269 N -0.53 2.10 -0.00 1.40 1.01 -0.03 -1.30 120.40 123.05 1j21 s VAL 269 Ca 0.06 -0.97 0.05 0.00 0.00 0.00 0.00 61.98 61.12 1j21 s VAL 269 Cb -0.07 -1.84 -0.01 0.00 0.00 0.00 0.00 36.38 34.46 1j21 s VAL 269 CO 0.00 0.55 -0.15 -0.31 0.00 0.00 0.00 175.10 175.19 1j21 s TYR 270 N 0.78 1.31 -0.18 5.22 1.51 0.49 -0.72 117.35 125.76 1j21 s TYR 270 Ca -0.08 -0.27 0.01 0.00 -1.01 0.00 0.00 57.07 55.73 1j21 s TYR 270 Cb -0.16 -0.83 0.02 0.00 -0.11 0.00 0.00 41.96 40.89 1j21 s TYR 270 CO -0.01 -0.01 -0.17 -1.83 -1.11 0.00 0.00 175.55 172.42 1j21 s GLU 271 N -0.49 2.72 -0.45 -0.62 -1.05 -1.09 0.26 118.70 117.97 1j21 s GLU 271 Ca 0.05 -0.81 0.09 0.00 -0.15 0.00 0.00 54.97 54.15 1j21 s GLU 271 Cb -0.06 -2.48 0.30 0.00 -0.44 0.00 0.00 34.13 31.45 1j21 s GLU 271 CO -0.00 -0.26 0.70 2.41 0.95 0.00 0.00 175.26 179.06 1j21 n THR 272 N 4.64 0.54 0.04 1.83 -1.04 0.70 -2.64 114.28 118.35 1j21 n THR 272 Ca -0.19 -4.65 -0.13 0.00 -2.04 0.00 0.00 64.05 57.04 1j21 n THR 272 Cb 0.49 -1.28 -0.08 0.00 -1.82 0.00 0.00 70.33 67.64 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 3.51 -0.54 -0.26 -2.82 0.13 -1.76 0.62 132.00 130.88 1j21 h PRO 273 Ca 0.11 0.04 -0.02 0.00 -0.87 0.00 0.00 66.00 65.25 1j21 h PRO 273 Cb 0.82 0.12 -0.01 0.00 0.13 0.00 0.00 31.00 32.06 1j21 h PRO 273 CO 0.59 -0.36 0.07 0.78 -0.23 0.00 0.00 178.00 178.85 1j21 h GLY 274 N -0.56 0.44 1.65 1.56 0.00 -1.84 -2.54 103.07 101.78 1j21 h GLY 274 Ca 0.01 -0.27 0.00 0.00 0.00 0.00 0.00 47.33 47.08 1j21 h GLY 274 CO -0.31 0.25 0.23 -1.33 0.00 0.00 0.00 176.54 175.39 1j21 h GLY 275 N 0.24 0.50 1.43 4.60 0.00 -1.79 -1.08 103.07 106.98 1j21 h GLY 275 Ca 0.08 -0.19 -0.17 0.00 0.00 0.00 0.00 47.33 47.05 1j21 h GLY 275 CO -0.00 0.19 -0.58 -0.84 0.00 0.00 0.00 176.54 175.30 1j21 h THR 276 N 0.49 1.32 -0.20 4.70 2.02 -0.69 -0.57 112.91 119.98 1j21 h THR 276 Ca 0.13 -1.84 -0.03 0.00 0.77 0.00 0.00 66.41 65.44 1j21 h THR 276 Cb -0.05 1.80 -0.01 0.00 -1.74 0.00 0.00 68.15 68.15 1j21 h THR 276 CO -0.03 0.57 -0.01 0.40 0.37 0.00 0.00 175.52 176.82 1j21 h ILE 277 N 0.45 1.26 -0.82 3.11 2.04 -0.98 -2.92 117.51 119.65 1j21 h ILE 277 Ca 0.00 -0.91 0.04 0.00 1.00 0.00 0.00 64.86 64.99 1j21 h ILE 277 Cb 1.14 1.47 -0.05 0.00 -0.74 0.00 0.00 36.82 38.65 1j21 h ILE 277 CO 0.11 0.28 0.54 -0.07 0.00 0.00 0.00 178.15 179.01 1j21 h LEU 278 N 0.11 0.85 0.10 1.44 3.38 -1.11 0.67 115.31 120.75 1j21 h LEU 278 Ca 0.05 -0.01 0.01 0.00 0.09 0.00 0.00 57.88 58.03 1j21 h LEU 278 Cb 0.42 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.96 1j21 h LEU 278 CO 0.01 0.57 -0.14 0.22 0.09 0.00 0.00 178.44 179.19 1j21 h TYR 279 N 0.98 -0.37 -0.10 1.13 3.20 -0.92 0.24 116.97 121.14 1j21 h TYR 279 Ca 0.33 0.01 -0.16 0.00 3.14 0.00 0.00 58.73 62.05 1j21 h TYR 279 Cb 0.09 0.15 -0.01 0.00 1.54 0.00 0.00 36.73 38.51 1j21 h TYR 279 CO -0.00 -0.22 -0.62 0.45 -1.64 0.00 0.00 178.16 176.13 1j21 h HIS 280 N -0.29 0.45 -0.30 -3.82 3.86 -1.33 -2.85 115.15 110.87 1j21 h HIS 280 Ca 0.02 -0.18 -0.01 0.00 -1.16 0.00 0.00 60.37 59.05 1j21 h HIS 280 Cb 0.30 -0.08 -0.01 0.00 1.06 0.00 0.00 27.41 28.68 1j21 h HIS 280 CO -0.15 0.88 0.17 0.00 0.86 0.00 0.00 177.93 179.69 1j21 h ALA 281 N 1.08 0.39 0.02 2.45 0.00 -0.66 -1.14 119.26 121.40 1j21 h ALA 281 Ca -0.01 -0.07 0.02 0.00 0.00 0.00 0.00 54.91 54.85 1j21 h ALA 281 Cb 1.15 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.80 1j21 h ALA 281 CO 0.10 -0.09 -0.11 -0.09 0.00 0.00 0.00 179.25 179.07 1j21 h ARG 282 N 0.37 -0.19 -0.05 0.00 2.43 -0.92 -1.93 114.38 114.09 1j21 h ARG 282 Ca 0.11 0.01 -0.03 0.00 -0.81 0.00 0.00 59.98 59.26 1j21 h ARG 282 Cb 0.06 0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 29.64 1j21 h ARG 282 CO -0.02 -0.13 -0.13 0.00 -1.51 0.00 0.00 179.97 178.19 1j21 h ARG 283 N -0.20 0.08 -0.42 0.20 3.08 -1.35 0.82 114.38 116.59 1j21 h ARG 283 Ca 0.03 -0.01 -0.07 0.00 0.07 0.00 0.00 59.98 60.00 1j21 h ARG 283 Cb 0.24 -0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.26 1j21 h ARG 283 CO -0.10 0.21 0.00 0.00 -1.07 0.00 0.00 179.97 179.02 1j21 h ALA 284 N 1.80 0.57 -0.13 0.04 0.00 -0.70 -0.02 119.26 120.81 1j21 h ALA 284 Ca 0.02 -0.26 -0.17 0.00 0.00 0.00 0.00 54.91 54.49 1j21 h ALA 284 Cb 0.28 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 1j21 h ALA 284 CO 0.02 0.35 -0.64 0.28 0.00 0.00 0.00 179.25 179.26 1j21 h VAL 285 N 0.58 1.35 0.00 0.00 2.07 -0.86 -2.92 116.25 116.47 1j21 h VAL 285 Ca 0.12 -1.96 -0.05 0.00 0.82 0.00 0.00 66.70 65.63 1j21 h VAL 285 Cb 0.48 1.94 -0.01 0.00 -1.52 0.00 0.00 31.29 32.18 1j21 h VAL 285 CO 0.02 0.60 -0.24 -0.33 0.02 0.00 0.00 177.57 177.64 1j21 h GLU 286 N 0.35 0.00 0.00 1.57 5.08 -0.56 -2.38 114.58 118.63 1j21 h GLU 286 Ca -0.01 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.34 1j21 h GLU 286 Cb 1.19 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.44 1j21 h GLU 286 CO 0.11 0.24 -0.02 0.66 -1.00 0.00 0.00 179.01 179.00 1j21 h SER 287 N 0.00 0.00 0.00 1.42 4.64 -0.79 -0.38 113.55 118.44 1j21 h SER 287 Ca -0.00 0.00 -0.18 0.00 -0.47 0.00 0.00 61.79 61.14 1j21 h SER 287 Cb 0.50 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.55 1j21 h SER 287 CO 0.03 0.02 -1.93 0.18 -0.87 0.00 0.00 176.83 174.27 1j21 n LEU 288 N -3.26 0.00 -0.00 5.97 4.77 -1.01 -4.70 117.00 118.78 1j21 n LEU 288 Ca -0.02 0.00 0.09 0.00 -0.03 0.00 0.00 56.01 56.05 1j21 n LEU 288 Cb 0.15 0.24 -0.14 0.00 -2.33 0.00 0.00 43.42 41.34 1j21 n LEU 288 CO 0.24 0.24 -0.67 0.35 -1.33 0.00 0.00 177.39 176.22 1j21 n THR 289 N -2.38 0.25 -3.84 -5.08 -2.24 -0.93 0.55 114.28 100.60 1j21 n THR 289 Ca -0.17 -0.54 -0.34 0.00 -2.27 0.00 0.00 64.05 60.73 1j21 n THR 289 Cb 0.79 -0.11 -0.05 0.00 -2.10 0.00 0.00 70.33 68.86 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 -4.76 4.36 0.55 3.22 1.43 -0.18 -4.87 118.68 118.44 1j21 s LEU 290 Ca -0.07 0.43 -0.18 0.00 -1.03 0.00 0.00 54.13 53.28 1j21 s LEU 290 Cb 0.13 -2.69 -0.06 0.00 0.03 0.00 0.00 46.19 43.60 1j21 s LEU 290 CO 0.88 0.24 1.07 -0.62 0.23 0.00 0.00 176.35 178.16 1j21 s ASP 291 N -1.90 5.91 0.11 2.29 -1.08 -1.26 -4.89 116.67 115.84 1j21 s ASP 291 Ca 0.28 1.95 -0.28 0.00 -0.52 0.00 0.00 52.55 53.99 1j21 s ASP 291 Cb -0.13 -2.55 -0.09 0.00 -1.46 0.00 0.00 42.92 38.68 1j21 s ASP 291 CO 0.18 -1.08 1.63 -0.09 0.52 0.00 0.00 175.17 176.34 1j21 h ARG 292 N 0.97 -0.49 -0.42 4.34 2.43 -1.98 -1.11 114.38 118.12 1j21 h ARG 292 Ca -0.48 0.03 -0.08 0.00 -0.81 0.00 0.00 59.98 58.64 1j21 h ARG 292 Cb 1.23 0.11 -0.02 0.00 -0.42 0.00 0.00 29.97 30.87 1j21 h ARG 292 CO 0.58 -0.33 -0.05 0.93 -1.51 0.00 0.00 179.97 179.58 1j21 h GLU 293 N -0.51 0.70 0.02 0.20 4.39 -2.00 -2.05 114.58 115.34 1j21 h GLU 293 Ca 0.02 -0.20 -0.00 0.00 0.34 0.00 0.00 59.36 59.52 1j21 h GLU 293 Cb 0.52 -0.08 0.00 0.00 -0.10 0.00 0.00 28.75 29.10 1j21 h GLU 293 CO -0.14 0.75 -0.01 0.28 -1.16 0.00 0.00 179.01 178.74 1j21 h VAL 294 N 0.65 1.04 -0.38 3.13 2.07 -1.90 -2.12 116.25 118.74 1j21 h VAL 294 Ca 0.12 -0.17 0.05 0.00 0.82 0.00 0.00 66.70 67.52 1j21 h VAL 294 Cb 0.48 1.15 -0.04 0.00 -1.52 0.00 0.00 31.29 31.36 1j21 h VAL 294 CO 0.03 0.04 0.12 0.25 0.02 0.00 0.00 177.57 178.03 1j21 h LEU 295 N -0.10 0.12 -0.95 2.57 5.85 -1.03 -0.17 115.31 121.60 1j21 h LEU 295 Ca -0.00 0.05 0.00 0.00 0.84 0.00 0.00 57.88 58.77 1j21 h LEU 295 Cb 0.09 0.04 -0.05 0.00 0.37 0.00 0.00 40.66 41.11 1j21 h LEU 295 CO 0.00 0.11 0.60 0.45 -0.34 0.00 0.00 178.44 179.26 1j21 h HIS 296 N 0.27 1.21 -0.21 1.25 3.86 -1.24 -0.05 115.15 120.25 1j21 h HIS 296 Ca 0.17 0.02 -0.06 0.00 -1.16 0.00 0.00 60.37 59.34 1j21 h HIS 296 Cb 0.16 -0.41 -0.01 0.00 1.06 0.00 0.00 27.41 28.22 1j21 h HIS 296 CO -0.15 0.78 -0.10 0.37 0.86 0.00 0.00 177.93 179.69 1j21 h GLN 297 N 1.29 0.43 -0.43 2.45 5.75 -0.97 -2.83 115.11 120.80 1j21 h GLN 297 Ca 0.34 -0.19 0.05 0.00 -0.15 0.00 0.00 58.65 58.71 1j21 h GLN 297 Cb -0.11 -0.01 -0.05 0.00 1.07 0.00 0.00 27.48 28.38 1j21 h GLN 297 CO -0.07 0.72 0.17 -0.09 -2.65 0.00 0.00 178.83 176.90 1j21 h ARG 298 N 0.13 0.33 0.00 1.69 1.12 -0.65 -2.11 114.38 114.89 1j21 h ARG 298 Ca 0.05 -0.02 -0.03 0.00 -1.11 0.00 0.00 59.98 58.86 1j21 h ARG 298 Cb 0.59 -0.07 -0.00 0.00 -0.01 0.00 0.00 29.97 30.47 1j21 h ARG 298 CO 0.03 0.22 -0.17 -0.44 -3.11 0.00 0.00 179.97 176.51 1j21 h ASP 299 N 0.34 0.00 1.73 -3.80 3.32 -1.00 -1.58 116.42 115.43 1j21 h ASP 299 Ca 0.20 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.25 1j21 h ASP 299 Cb 0.17 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.72 1j21 h ASP 299 CO -0.19 0.17 0.00 0.24 -1.72 0.00 0.00 179.24 177.73 1j21 h MET 300 N 0.00 0.00 0.00 3.56 2.86 -1.13 -3.28 114.93 116.94 1j21 h MET 300 Ca -0.00 0.00 -0.12 0.00 -2.06 0.00 0.00 59.70 57.52 1j21 h MET 300 Cb 0.42 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.06 1j21 h MET 300 CO 0.02 0.00 -1.77 1.28 1.06 0.00 0.00 176.91 177.50 1j21 n LEU 301 N -2.82 0.36 -0.22 1.22 4.77 -0.70 -4.51 117.00 115.10 1j21 n LEU 301 Ca 0.04 0.15 0.02 0.00 -0.03 0.00 0.00 56.01 56.20 1j21 n LEU 301 Cb 0.47 0.11 0.13 0.00 -2.33 0.00 0.00 43.42 41.81 1j21 n LEU 301 CO 0.32 0.11 0.93 0.28 -1.33 0.00 0.00 177.39 177.70 1j21 h SER 302 N 0.00 0.01 -0.92 -1.43 0.02 -1.39 -2.00 113.55 107.85 1j21 h SER 302 Ca -0.16 0.12 0.02 0.00 -0.84 0.00 0.00 61.79 60.94 1j21 h SER 302 Cb 1.42 0.17 -0.05 0.00 0.14 0.00 0.00 62.40 64.07 1j21 h SER 302 CO 0.02 -0.00 0.60 -0.65 -1.14 0.00 0.00 176.83 175.66 1j21 h PRO 303 N 0.27 1.16 -0.31 3.45 0.11 -1.79 0.28 132.00 135.17 1j21 h PRO 303 Ca 0.35 -0.07 -0.01 0.00 0.11 0.00 0.00 66.00 66.38 1j21 h PRO 303 Cb 0.54 -0.26 -0.01 0.00 0.11 0.00 0.00 31.00 31.38 1j21 h PRO 303 CO -0.44 0.77 0.16 -0.22 -0.21 0.00 0.00 178.00 178.06 1j21 h LYS 304 N 1.20 0.44 -0.73 1.05 1.63 -1.65 -1.08 116.57 117.42 1j21 h LYS 304 Ca 0.35 -0.06 -0.01 0.00 -0.85 0.00 0.00 60.65 60.08 1j21 h LYS 304 Cb -0.06 -0.08 -0.04 0.00 -0.60 0.00 0.00 32.23 31.45 1j21 h LYS 304 CO -0.09 0.40 0.41 -0.92 -3.45 0.00 0.00 179.45 175.79 1j21 h TYR 305 N 0.37 0.99 -0.71 1.91 3.20 -0.99 -2.11 116.97 119.64 1j21 h TYR 305 Ca 0.11 -0.02 -0.02 0.00 3.14 0.00 0.00 58.73 61.94 1j21 h TYR 305 Cb 0.10 -0.32 -0.03 0.00 1.54 0.00 0.00 36.73 38.01 1j21 h TYR 305 CO -0.02 0.69 0.36 0.00 -1.64 0.00 0.00 178.16 177.54 1j21 h ALA 306 N 1.43 0.91 -0.09 1.82 0.00 -0.15 -1.82 119.26 121.35 1j21 h ALA 306 Ca 0.26 -0.13 -0.12 0.00 0.00 0.00 0.00 54.91 54.91 1j21 h ALA 306 Cb 0.02 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.51 1j21 h ALA 306 CO -0.04 0.45 -0.49 1.05 0.00 0.00 0.00 179.25 180.22 1j21 h GLU 307 N 0.98 0.24 -0.36 0.00 4.11 -0.84 -0.96 114.58 117.74 1j21 h GLU 307 Ca 0.25 -0.13 -0.00 0.00 0.07 0.00 0.00 59.36 59.54 1j21 h GLU 307 Cb 0.09 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.33 1j21 h GLU 307 CO -0.03 0.68 0.22 -0.07 0.07 0.00 0.00 179.01 179.87 1j21 h LEU 308 N 0.19 0.44 -0.57 3.06 3.38 -0.86 0.14 115.31 121.09 1j21 h LEU 308 Ca 0.01 -0.06 -0.07 0.00 0.09 0.00 0.00 57.88 57.85 1j21 h LEU 308 Cb 0.94 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 41.56 1j21 h LEU 308 CO 0.08 0.36 0.10 0.58 0.09 0.00 0.00 178.44 179.65 1j21 h VAL 309 N 0.47 1.26 -0.50 1.22 2.07 -1.16 0.21 116.25 119.82 1j21 h VAL 309 Ca 0.13 -0.97 -0.03 0.00 0.82 0.00 0.00 66.70 66.65 1j21 h VAL 309 Cb 0.01 0.78 -0.02 0.00 -1.52 0.00 0.00 31.29 30.54 1j21 h VAL 309 CO -0.02 0.36 0.19 0.22 0.02 0.00 0.00 177.57 178.33 1j21 h TYR 310 N 0.84 0.77 0.00 1.57 3.20 -0.72 -2.86 116.97 119.78 1j21 h TYR 310 Ca 0.17 -0.06 -0.06 0.00 3.14 0.00 0.00 58.73 61.92 1j21 h TYR 310 Cb 0.41 -0.23 -0.01 0.00 1.54 0.00 0.00 36.73 38.44 1j21 h TYR 310 CO 0.03 0.65 -0.27 1.88 -1.64 0.00 0.00 178.16 178.81 1j21 h TYR 311 N 0.67 0.00 0.00 -3.82 0.05 -0.63 -3.47 116.97 109.76 1j21 h TYR 311 Ca 0.17 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.95 1j21 h TYR 311 Cb 0.22 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.96 1j21 h TYR 311 CO 0.01 0.27 0.00 0.41 -1.05 0.00 0.00 178.16 177.80 1j21 n GLY 312 N 0.28 1.34 2.56 3.88 0.00 -0.68 -4.33 105.19 108.23 1j21 n GLY 312 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.62 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 -0.93 2.66 -0.04 1.61 3.01 0.67 -4.54 117.46 119.90 1j21 n PHE 313 Ca 0.00 -2.82 -0.00 0.00 1.01 0.00 0.00 57.45 55.64 1j21 n PHE 313 Cb 0.00 -1.87 -0.00 0.00 -0.01 0.00 0.00 39.48 37.60 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 4.85 0.00 -1.08 1.38 2.91 -1.90 -3.37 115.95 118.75 1j21 h TRP 314 Ca 0.64 0.00 -0.74 0.00 1.13 0.00 0.00 58.89 59.92 1j21 h TRP 314 Cb 0.37 0.00 -0.12 0.00 -0.51 0.00 0.00 29.16 28.90 1j21 h TRP 314 CO 1.54 0.00 2.25 0.66 -1.03 0.00 0.00 178.44 181.86 1j21 n TYR 315 N -4.11 3.43 -3.98 2.65 4.02 -1.26 -4.58 117.16 113.33 1j21 n TYR 315 Ca -0.00 -2.91 -0.10 0.00 -0.01 0.00 0.00 57.90 54.88 1j21 n TYR 315 Cb 0.00 -2.18 -0.12 0.00 -0.02 0.00 0.00 39.34 37.03 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 1.48 0.18 0.26 -0.72 0.00 -1.26 -4.86 121.76 116.85 1j21 s ALA 316 Ca 0.43 -0.50 -0.02 0.00 0.00 0.00 0.00 51.96 51.87 1j21 s ALA 316 Cb 0.09 0.10 0.45 0.00 0.00 0.00 0.00 23.12 23.76 1j21 s ALA 316 CO -0.02 -0.10 1.83 -1.00 0.00 0.00 0.00 175.76 176.47 1j21 h PRO 317 N 4.95 0.89 -0.12 0.00 0.13 -1.92 -2.23 132.00 133.70 1j21 h PRO 317 Ca -0.31 -0.05 0.01 0.00 -0.87 0.00 0.00 66.00 64.78 1j21 h PRO 317 Cb 1.21 -0.20 -0.01 0.00 0.13 0.00 0.00 31.00 32.12 1j21 h PRO 317 CO 0.43 0.59 0.02 0.93 -0.23 0.00 0.00 178.00 179.75 1j21 h GLU 318 N 0.92 0.07 -0.45 0.86 3.07 -1.95 -0.51 114.58 116.59 1j21 h GLU 318 Ca 0.44 -0.00 -0.02 0.00 -0.50 0.00 0.00 59.36 59.27 1j21 h GLU 318 Cb 0.38 -0.02 -0.02 0.00 -0.84 0.00 0.00 28.75 28.25 1j21 h GLU 318 CO -0.24 0.05 0.20 -0.09 -1.40 0.00 0.00 179.01 177.52 1j21 h ARG 319 N 0.08 0.66 0.00 2.33 2.43 -1.74 -1.39 114.38 116.75 1j21 h ARG 319 Ca 0.05 -0.11 -0.08 0.00 -0.81 0.00 0.00 59.98 59.03 1j21 h ARG 319 Cb 0.04 -0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 29.47 1j21 h ARG 319 CO -0.07 0.59 -0.38 0.93 -1.51 0.00 0.00 179.97 179.53 1j21 h GLU 320 N 0.59 0.00 -0.13 0.20 5.08 -1.24 0.18 114.58 119.26 1j21 h GLU 320 Ca 0.15 0.00 -0.10 0.00 -1.00 0.00 0.00 59.36 58.41 1j21 h GLU 320 Cb 0.16 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.41 1j21 h GLU 320 CO -0.02 0.38 -0.31 0.00 -1.00 0.00 0.00 179.01 178.07 1j21 h ALA 321 N 1.62 0.21 -0.73 3.43 0.00 -0.82 -2.49 119.26 120.47 1j21 h ALA 321 Ca -0.00 -0.42 -0.05 0.00 0.00 0.00 0.00 54.91 54.44 1j21 h ALA 321 Cb 0.71 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.44 1j21 h ALA 321 CO 0.05 0.24 0.26 -0.07 0.00 0.00 0.00 179.25 179.72 1j21 h LEU 322 N 0.03 1.05 -2.05 0.00 3.38 -1.04 -2.26 115.31 114.41 1j21 h LEU 322 Ca -0.00 -0.19 0.06 0.00 0.09 0.00 0.00 57.88 57.83 1j21 h LEU 322 Cb 0.91 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 41.38 1j21 h LEU 322 CO 0.07 0.96 0.16 -0.61 0.09 0.00 0.00 178.44 179.11 1j21 h GLN 323 N 1.07 0.00 -0.38 1.13 5.75 -0.53 0.23 115.11 122.39 1j21 h GLN 323 Ca 0.24 0.00 -0.11 0.00 -0.15 0.00 0.00 58.65 58.63 1j21 h GLN 323 Cb 0.27 0.00 -0.01 0.00 1.07 0.00 0.00 27.48 28.80 1j21 h GLN 323 CO -0.01 0.00 -0.22 0.00 -2.65 0.00 0.00 178.83 175.95 1j21 h ALA 324 N 1.88 0.91 0.01 3.38 0.00 -0.94 -0.16 119.26 124.34 1j21 h ALA 324 Ca 0.10 -0.36 -0.00 0.00 0.00 0.00 0.00 54.91 54.64 1j21 h ALA 324 Cb 0.42 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.06 1j21 h ALA 324 CO -0.00 0.62 -0.01 -0.92 0.00 0.00 0.00 179.25 178.94 1j21 h TYR 325 N 0.65 -0.02 -0.61 0.00 3.20 -0.55 -2.64 116.97 117.00 1j21 h TYR 325 Ca 0.09 -0.00 -0.00 0.00 3.14 0.00 0.00 58.73 61.96 1j21 h TYR 325 Cb 0.72 0.01 -0.03 0.00 1.54 0.00 0.00 36.73 38.96 1j21 h TYR 325 CO 0.04 0.48 0.38 0.74 -1.64 0.00 0.00 178.16 178.16 1j21 h PHE 326 N -0.53 0.79 -0.29 -3.82 0.05 -1.01 -2.04 116.94 110.10 1j21 h PHE 326 Ca -0.00 0.00 -0.07 0.00 3.82 0.00 0.00 57.97 61.72 1j21 h PHE 326 Cb 0.51 -0.26 -0.02 0.00 2.00 0.00 0.00 35.95 38.18 1j21 h PHE 326 CO 0.10 0.53 -0.13 -0.44 -0.18 0.00 0.00 178.31 178.19 1j21 h ASP 327 N 0.82 0.47 0.10 2.17 3.45 -1.11 0.14 116.42 122.46 1j21 h ASP 327 Ca 0.22 -0.12 -0.00 0.00 0.43 0.00 0.00 57.03 57.55 1j21 h ASP 327 Cb -0.04 -0.13 0.00 0.00 -0.56 0.00 0.00 39.33 38.60 1j21 h ASP 327 CO -0.04 0.63 -0.05 -0.74 -1.57 0.00 0.00 179.24 177.47 1j21 h HIS 328 N 0.45 -0.13 0.20 4.55 2.76 -1.03 -2.18 115.15 119.76 1j21 h HIS 328 Ca 0.08 -0.00 -0.01 0.00 -2.20 0.00 0.00 60.37 58.24 1j21 h HIS 328 Cb 0.49 0.04 0.00 0.00 1.55 0.00 0.00 27.41 29.50 1j21 h HIS 328 CO 0.02 -0.01 -0.09 0.28 -1.30 0.00 0.00 177.93 176.82 1j21 h VAL 329 N -0.22 0.85 -0.30 5.26 2.07 -1.13 -2.95 116.25 119.84 1j21 h VAL 329 Ca -0.01 -0.22 0.09 0.00 0.82 0.00 0.00 66.70 67.37 1j21 h VAL 329 Cb 0.18 0.99 -0.01 0.00 -1.52 0.00 0.00 31.29 30.92 1j21 h VAL 329 CO 0.02 0.05 0.34 0.00 0.02 0.00 0.00 177.57 178.00 1j21 h ALA 330 N 0.41 1.95 -0.29 1.67 0.00 -0.71 -1.86 119.26 120.44 1j21 h ALA 330 Ca -0.03 -0.01 0.08 0.00 0.00 0.00 0.00 54.91 54.96 1j21 h ALA 330 Cb 0.29 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 1j21 h ALA 330 CO 0.04 -0.49 0.24 -0.09 0.00 0.00 0.00 179.25 178.95 1j21 h ARG 331 N 0.00 0.00 0.00 0.00 2.43 -1.21 0.46 114.38 116.06 1j21 h ARG 331 Ca 0.14 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.31 1j21 h ARG 331 Cb 0.82 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.37 1j21 h ARG 331 CO -0.00 0.00 -0.12 0.43 -1.51 0.00 0.00 179.97 178.77 1j21 n SER 332 N -4.19 0.20 -4.57 -3.80 7.64 -0.70 -4.59 113.62 103.61 1j21 n SER 332 Ca 0.04 0.34 -0.41 0.00 1.01 0.00 0.00 58.87 59.86 1j21 n SER 332 Cb 0.39 -0.35 -0.02 0.00 -1.01 0.00 0.00 64.21 63.22 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 -3.02 3.97 -0.09 0.44 1.01 0.12 -4.82 120.40 118.01 1j21 s VAL 333 Ca 0.13 -1.27 0.00 0.00 0.00 0.00 0.00 61.98 60.84 1j21 s VAL 333 Cb 0.18 -5.05 0.02 0.00 0.00 0.00 0.00 36.38 31.53 1j21 s VAL 333 CO 0.58 -1.89 -0.07 -0.89 0.00 0.00 0.00 175.10 172.82 1j21 s THR 334 N 5.14 0.93 -4.70 3.92 2.01 -1.21 -1.52 115.64 120.21 1j21 s THR 334 Ca 0.52 -0.26 0.00 0.00 0.31 0.00 0.00 61.69 62.25 1j21 s THR 334 Cb 0.01 -0.94 0.00 0.00 0.01 0.00 0.00 72.50 71.58 1j21 s THR 334 CO -0.01 0.34 0.00 0.61 -0.69 0.00 0.00 174.62 174.88 1j21 n GLY 335 N 4.67 -1.14 3.17 4.40 0.00 -0.49 -4.30 105.19 111.51 1j21 n GLY 335 Ca -0.15 -1.17 -0.25 0.00 0.00 0.00 0.00 46.02 44.45 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 1.40 -0.07 1.61 1.01 -0.10 0.31 120.40 121.56 1j21 s VAL 336 Ca 0.00 -0.75 0.01 0.00 0.00 0.00 0.00 61.98 61.24 1j21 s VAL 336 Cb 0.00 -1.17 -0.03 0.00 0.00 0.00 0.00 36.38 35.18 1j21 s VAL 336 CO 0.00 0.40 -0.09 0.00 0.00 0.00 0.00 175.10 175.41 1j21 s ALA 337 N -0.38 2.90 -0.21 5.51 0.00 -0.21 -1.34 121.76 128.03 1j21 s ALA 337 Ca 0.06 -0.91 0.00 0.00 0.00 0.00 0.00 51.96 51.11 1j21 s ALA 337 Cb -0.07 -1.17 0.03 0.00 0.00 0.00 0.00 23.12 21.91 1j21 s ALA 337 CO -0.00 0.56 -0.14 0.50 0.00 0.00 0.00 175.76 176.67 1j21 s ARG 338 N -0.75 2.85 0.19 0.00 3.52 0.11 -1.33 118.95 123.54 1j21 s ARG 338 Ca 0.11 -0.94 0.11 0.00 -0.13 0.00 0.00 55.73 54.89 1j21 s ARG 338 Cb -0.11 -2.76 -0.04 0.00 -1.56 0.00 0.00 34.95 30.48 1j21 s ARG 338 CO 0.01 -0.32 -0.24 -0.51 -0.81 0.00 0.00 175.30 173.44 1j21 s LEU 339 N 1.28 2.45 -0.21 -0.88 1.02 0.18 -1.03 118.68 121.48 1j21 s LEU 339 Ca 0.01 -0.85 -0.02 0.00 0.02 0.00 0.00 54.13 53.29 1j21 s LEU 339 Cb -0.15 -1.19 0.00 0.00 0.02 0.00 0.00 46.19 44.87 1j21 s LEU 339 CO -0.09 0.12 -0.09 -0.75 0.02 0.00 0.00 176.35 175.57 1j21 s LYS 340 N -2.64 3.20 -0.21 1.70 2.20 0.38 -0.39 119.74 123.98 1j21 s LYS 340 Ca 0.20 -0.73 -0.10 0.00 -0.36 0.00 0.00 55.97 54.98 1j21 s LYS 340 Cb -0.08 -2.89 -0.05 0.00 -1.51 0.00 0.00 37.83 33.30 1j21 s LYS 340 CO 0.10 -0.23 0.15 -0.51 -0.36 0.00 0.00 175.35 174.50 1j21 s LEU 341 N 1.41 4.18 -0.23 5.43 1.43 0.13 -0.35 118.68 130.67 1j21 s LEU 341 Ca 0.05 0.20 -0.08 0.00 -1.03 0.00 0.00 54.13 53.27 1j21 s LEU 341 Cb -0.14 -2.11 0.11 0.00 0.03 0.00 0.00 46.19 44.07 1j21 s LEU 341 CO -0.06 0.13 0.50 -0.47 0.23 0.00 0.00 176.35 176.68 1j21 s TYR 342 N 0.63 -0.99 -0.45 0.29 5.04 -0.75 -1.29 117.35 119.82 1j21 s TYR 342 Ca 0.08 1.79 -0.05 0.00 -2.44 0.00 0.00 57.07 56.45 1j21 s TYR 342 Cb -0.12 0.47 0.01 0.00 0.35 0.00 0.00 41.96 42.67 1j21 s TYR 342 CO 0.01 -0.55 0.37 1.63 -1.34 0.00 0.00 175.55 175.67 1j21 n LYS 343 N 5.41 -0.99 0.00 4.97 5.02 -1.25 -1.23 118.16 130.09 1j21 n LYS 343 Ca -0.10 0.54 0.00 0.00 -2.02 0.00 0.00 58.31 56.73 1j21 n LYS 343 Cb 0.49 -1.31 0.00 0.00 -0.02 0.00 0.00 35.03 34.19 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 -0.96 3.17 3.85 0.72 0.00 0.76 -4.88 105.19 107.85 1j21 n GLY 344 Ca -0.17 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.59 1j21 n GLY 344 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1j21 s ASN 345 N -0.93 5.84 -0.21 1.61 0.01 -0.36 -4.19 114.94 116.70 1j21 s ASN 345 Ca 0.00 -0.01 0.02 0.00 -0.71 0.00 0.00 52.86 52.16 1j21 s ASN 345 Cb 0.00 -1.63 0.04 0.00 0.41 0.00 0.00 41.25 40.08 1j21 s ASN 345 CO 0.00 0.07 -0.13 -0.69 -1.51 0.00 0.00 177.10 174.84 1j21 s VAL 346 N -1.74 1.89 -0.14 1.60 1.01 -1.26 -1.81 120.40 119.95 1j21 s VAL 346 Ca 0.32 -1.19 -0.01 0.00 0.00 0.00 0.00 61.98 61.10 1j21 s VAL 346 Cb -0.10 -1.92 -0.02 0.00 0.00 0.00 0.00 36.38 34.33 1j21 s VAL 346 CO 0.25 0.18 -0.10 -0.31 0.00 0.00 0.00 175.10 175.12 1j21 s TYR 347 N 1.28 2.87 -0.13 5.22 1.51 0.53 -4.94 117.35 123.69 1j21 s TYR 347 Ca -0.02 -0.60 -0.28 0.00 -1.01 0.00 0.00 57.07 55.15 1j21 s TYR 347 Cb -0.17 -1.89 -0.01 0.00 -0.11 0.00 0.00 41.96 39.78 1j21 s TYR 347 CO -0.08 -0.21 0.94 0.08 -1.11 0.00 0.00 175.55 175.17 1j21 s VAL 348 N 0.46 4.82 -0.08 0.71 1.01 -1.26 0.14 120.40 126.20 1j21 s VAL 348 Ca -0.08 1.90 0.01 0.00 0.00 0.00 0.00 61.98 63.81 1j21 s VAL 348 Cb -0.15 -4.25 -0.00 0.00 0.00 0.00 0.00 36.38 31.97 1j21 s VAL 348 CO 0.04 0.01 0.21 1.33 0.00 0.00 0.00 175.10 176.69 1j21 n VAL 349 N 4.62 0.00 -3.61 2.92 0.24 -0.20 -4.91 118.33 117.40 1j21 n VAL 349 Ca 0.07 -0.49 -0.04 0.00 -2.04 0.00 0.00 64.34 61.85 1j21 n VAL 349 Cb 0.49 1.01 -0.02 0.00 -1.47 0.00 0.00 33.84 33.84 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 -0.74 -0.23 -0.02 7.63 0.00 -0.93 -5.00 107.32 108.03 1j21 s GLY 350 Ca 0.01 1.81 -0.28 0.00 0.00 0.00 0.00 44.72 46.26 1j21 s GLY 350 CO 0.03 0.63 0.62 1.09 0.00 0.00 0.00 173.10 175.47 1j21 s ARG 351 N -2.14 1.04 0.08 2.90 3.03 -1.26 0.06 118.95 122.66 1j21 s ARG 351 Ca 0.09 0.10 -0.13 0.00 2.03 0.00 0.00 55.73 57.83 1j21 s ARG 351 Cb -0.01 0.49 0.02 0.00 -1.03 0.00 0.00 34.95 34.41 1j21 s ARG 351 CO -0.04 -0.34 0.30 -1.59 -1.13 0.00 0.00 175.30 172.49 1j21 s LYS 352 N -1.56 0.90 -0.18 3.89 -2.85 -0.45 -5.01 119.74 114.49 1j21 s LYS 352 Ca -0.10 -0.71 -0.26 0.00 -1.00 0.00 0.00 55.97 53.90 1j21 s LYS 352 Cb -0.01 0.38 0.07 0.00 -2.06 0.00 0.00 37.83 36.22 1j21 s LYS 352 CO 0.06 -0.31 0.68 0.00 0.10 0.00 0.00 175.35 175.88 1j21 s ALA 353 N -3.36 -1.71 0.32 0.59 0.00 -1.26 -0.93 121.76 115.41 1j21 s ALA 353 Ca 0.01 1.68 0.04 0.00 0.00 0.00 0.00 51.96 53.68 1j21 s ALA 353 Cb 0.02 -0.69 0.55 0.00 0.00 0.00 0.00 23.12 23.00 1j21 s ALA 353 CO -0.09 -0.34 1.84 -1.35 0.00 0.00 0.00 175.76 175.82 1j21 h PRO 354 N 4.25 0.54 -0.63 0.00 0.11 -1.99 -2.91 132.00 131.37 1j21 h PRO 354 Ca -0.28 -0.13 -0.44 0.00 0.11 0.00 0.00 66.00 65.25 1j21 h PRO 354 Cb 1.15 -0.07 -0.31 0.00 0.11 0.00 0.00 31.00 31.89 1j21 h PRO 354 CO 0.19 0.59 -0.43 1.63 -0.21 0.00 0.00 178.00 179.78 1j21 n LYS 355 N -4.25 2.96 -1.70 1.05 5.02 -1.26 -5.04 118.16 114.95 1j21 n LYS 355 Ca 0.01 -3.79 -0.44 0.00 -2.02 0.00 0.00 58.31 52.08 1j21 n LYS 355 Cb 0.28 -2.13 -0.02 0.00 -0.02 0.00 0.00 35.03 33.14 1j21 n LYS 355 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 1j21 n SER 356 N -0.85 3.08 -0.86 4.39 2.88 -1.10 -4.77 113.62 116.38 1j21 n SER 356 Ca 0.42 1.15 0.06 0.00 -1.33 0.00 0.00 58.87 59.17 1j21 n SER 356 Cb 0.90 -1.48 0.19 0.00 -0.75 0.00 0.00 64.21 63.07 1j21 n SER 356 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 1j21 n LEU 357 N 1.95 2.48 -4.32 2.46 4.77 0.19 -4.72 117.00 119.81 1j21 n LEU 357 Ca 0.10 -1.25 -0.46 0.00 -0.03 0.00 0.00 56.01 54.37 1j21 n LEU 357 Cb 0.34 -0.34 -0.03 0.00 -2.33 0.00 0.00 43.42 41.05 1j21 n LEU 357 CO 0.63 0.52 0.30 -0.47 -1.33 0.00 0.00 177.39 177.05 1j21 s TYR 358 N -1.57 3.55 0.00 -1.77 5.04 -1.26 -5.08 117.35 116.26 1j21 s TYR 358 Ca 0.28 -1.71 0.00 0.00 -2.44 0.00 0.00 57.07 53.20 1j21 s TYR 358 Cb 0.16 -3.81 0.00 0.00 0.35 0.00 0.00 41.96 38.66 1j21 s TYR 358 CO 0.16 -1.00 0.00 -2.13 -1.34 0.00 0.00 175.55 171.24 1j21 n ARG 359 N 4.50 0.00 0.00 4.97 0.63 -1.26 -5.16 116.66 120.34 1j21 n ARG 359 Ca 0.02 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.95 1j21 n ARG 359 Cb 0.44 0.00 0.00 0.00 0.45 0.00 0.00 32.46 33.35 1j21 n ARG 359 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1j21 n GLY 370 N 3.45 -0.24 0.00 5.14 0.00 -1.26 -5.30 105.19 106.99 1j21 n GLY 370 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1j21 n GLY 370 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 173.32 174.90 1j21 n TYR 371 N 0.00 0.00 -4.49 1.61 0.18 -1.26 -5.15 117.16 108.06 1j21 n TYR 371 Ca 0.00 0.00 -0.27 0.00 1.88 0.00 0.00 57.90 59.51 1j21 n TYR 371 Cb 0.00 0.00 -0.10 0.00 -0.38 0.00 0.00 39.34 38.86 1j21 n TYR 371 CO 0.00 0.00 0.00 0.16 -2.08 0.00 0.00 176.86 174.94 1j21 s ASP 372 N 0.00 4.01 0.38 9.48 1.47 -1.26 -4.99 116.67 125.75 1j21 s ASP 372 Ca 0.00 -1.27 0.16 0.00 1.18 0.00 0.00 52.55 52.62 1j21 s ASP 372 Cb 0.00 -0.42 1.05 0.00 -0.34 0.00 0.00 42.92 43.21 1j21 s ASP 372 CO 0.00 -0.44 1.76 1.56 0.68 0.00 0.00 175.17 178.73 1j21 h GLN 373 N 1.71 0.42 -0.89 2.11 1.08 -2.02 0.33 115.11 117.86 1j21 h GLN 373 Ca -0.43 -0.03 0.07 0.00 -1.45 0.00 0.00 58.65 56.81 1j21 h GLN 373 Cb 1.24 -0.10 -0.06 0.00 -0.05 0.00 0.00 27.48 28.51 1j21 h GLN 373 CO 0.77 0.28 0.56 -0.22 -0.95 0.00 0.00 178.83 179.26 1j21 h LYS 374 N 0.44 0.97 -0.46 1.46 3.64 -2.01 -0.98 116.57 119.63 1j21 h LYS 374 Ca 0.61 -0.06 0.01 0.00 -1.27 0.00 0.00 60.65 59.95 1j21 h LYS 374 Cb 1.46 -0.22 -0.03 0.00 -0.41 0.00 0.00 32.23 33.03 1j21 h LYS 374 CO -0.35 0.64 0.29 -0.44 -2.27 0.00 0.00 179.45 177.33 1j21 h ASP 375 N 1.00 0.49 -0.89 4.20 3.45 -0.73 -1.84 116.42 122.11 1j21 h ASP 375 Ca 0.39 -0.01 0.14 0.00 0.43 0.00 0.00 57.03 57.99 1j21 h ASP 375 Cb 0.19 -0.11 -0.07 0.00 -0.56 0.00 0.00 39.33 38.78 1j21 h ASP 375 CO -0.18 0.35 0.57 0.00 -1.57 0.00 0.00 179.24 178.41 1j21 h ALA 376 N 1.19 1.82 -0.52 3.45 0.00 -0.97 -1.50 119.26 122.72 1j21 h ALA 376 Ca 0.18 0.01 -0.11 0.00 0.00 0.00 0.00 54.91 54.99 1j21 h ALA 376 Cb -0.03 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.61 1j21 h ALA 376 CO -0.06 -0.06 -0.10 1.49 0.00 0.00 0.00 179.25 180.52 1j21 h GLU 377 N 0.70 0.97 -0.61 0.00 4.81 -0.73 -2.19 114.58 117.53 1j21 h GLU 377 Ca 0.44 -0.35 -0.05 0.00 -0.13 0.00 0.00 59.36 59.27 1j21 h GLU 377 Cb 0.70 -0.07 -0.03 0.00 0.63 0.00 0.00 28.75 29.98 1j21 h GLU 377 CO -0.20 1.02 0.18 0.78 -0.73 0.00 0.00 179.01 180.05 1j21 h GLY 378 N 0.95 1.03 0.48 1.92 0.00 -1.10 -1.40 103.07 104.96 1j21 h GLY 378 Ca 0.14 -0.62 0.03 0.00 0.00 0.00 0.00 47.33 46.87 1j21 h GLY 378 CO 0.05 0.58 -0.24 -2.75 0.00 0.00 0.00 176.54 174.18 1j21 h PHE 379 N 0.88 -0.63 -0.38 5.60 3.57 -1.20 -1.22 116.94 123.57 1j21 h PHE 379 Ca 0.20 0.02 0.03 0.00 3.53 0.00 0.00 57.97 61.75 1j21 h PHE 379 Cb 0.31 0.28 -0.03 0.00 2.79 0.00 0.00 35.95 39.29 1j21 h PHE 379 CO 0.02 -0.33 0.18 0.82 -2.23 0.00 0.00 178.31 176.77 1j21 h ILE 380 N -0.38 0.96 -0.10 1.41 1.08 -1.22 0.45 117.51 119.71 1j21 h ILE 380 Ca 0.06 -0.12 0.03 0.00 -0.39 0.00 0.00 64.86 64.43 1j21 h ILE 380 Cb 0.45 0.56 -0.04 0.00 -3.07 0.00 0.00 36.82 34.73 1j21 h ILE 380 CO -0.20 0.07 -0.11 0.11 -0.69 0.00 0.00 178.15 177.33 1j21 h LYS 381 N 0.36 -0.13 -0.13 2.37 1.79 -0.91 0.18 116.57 120.11 1j21 h LYS 381 Ca 0.16 0.01 -0.01 0.00 -2.18 0.00 0.00 60.65 58.64 1j21 h LYS 381 Cb 0.09 0.03 -0.01 0.00 -1.58 0.00 0.00 32.23 30.76 1j21 h LYS 381 CO -0.13 -0.09 0.05 0.82 -1.08 0.00 0.00 179.45 179.03 1j21 h ILE 382 N -0.13 1.15 -0.22 1.86 1.08 -1.01 -1.21 117.51 119.03 1j21 h ILE 382 Ca 0.08 -0.46 0.03 0.00 -0.39 0.00 0.00 64.86 64.11 1j21 h ILE 382 Cb 0.24 1.22 -0.01 0.00 -3.07 0.00 0.00 36.82 35.20 1j21 h ILE 382 CO -0.18 0.14 0.15 1.56 -0.69 0.00 0.00 178.15 179.13 1j21 h GLN 383 N 0.06 0.15 0.00 2.37 1.08 -0.65 -2.41 115.11 115.71 1j21 h GLN 383 Ca 0.04 -0.01 0.00 0.00 -1.45 0.00 0.00 58.65 57.24 1j21 h GLN 383 Cb 0.18 -0.03 0.00 0.00 -0.05 0.00 0.00 27.48 27.57 1j21 h GLN 383 CO -0.00 0.10 -0.59 0.00 -0.95 0.00 0.00 178.83 177.38 1j21 h ALA 384 N 1.88 0.63 -0.41 3.87 0.00 -0.16 -3.41 119.26 121.67 1j21 h ALA 384 Ca 0.09 0.00 0.07 0.00 0.00 0.00 0.00 54.91 55.07 1j21 h ALA 384 Cb 0.19 0.00 -0.09 0.00 0.00 0.00 0.00 17.79 17.89 1j21 h ALA 384 CO -0.01 0.00 -0.46 1.25 0.00 0.00 0.00 179.25 180.03 1j21 h LEU 385 N 0.00 -1.53 -1.39 0.00 5.85 -0.70 0.11 115.31 117.65 1j21 h LEU 385 Ca 0.00 0.22 0.04 0.00 0.84 0.00 0.00 57.88 58.98 1j21 h LEU 385 Cb 0.81 0.66 -0.04 0.00 0.37 0.00 0.00 40.66 42.46 1j21 h LEU 385 CO 0.00 -0.38 0.45 0.08 -0.34 0.00 0.00 178.44 178.25 1j21 h ARG 386 N -0.35 0.77 -0.46 1.25 0.11 -1.78 -0.30 114.38 113.62 1j21 h ARG 386 Ca 0.12 -0.05 -0.12 0.00 0.10 0.00 0.00 59.98 60.03 1j21 h ARG 386 Cb 0.59 -0.17 -0.01 0.00 1.11 0.00 0.00 29.97 31.48 1j21 h ARG 386 CO -0.58 0.51 -0.21 -0.07 0.10 0.00 0.00 179.97 179.72 1j21 h LEU 387 N 0.79 0.94 -0.39 0.08 3.38 -1.55 -1.04 115.31 117.51 1j21 h LEU 387 Ca 0.27 -0.35 -0.06 0.00 0.09 0.00 0.00 57.88 57.84 1j21 h LEU 387 Cb 0.10 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.58 1j21 h LEU 387 CO -0.08 1.11 0.00 0.03 0.09 0.00 0.00 178.44 179.59 1j21 h ARG 388 N 0.80 0.69 -0.65 1.13 3.08 0.10 -1.26 114.38 118.27 1j21 h ARG 388 Ca 0.11 -0.22 0.03 0.00 0.07 0.00 0.00 59.98 59.96 1j21 h ARG 388 Cb 0.76 -0.06 -0.04 0.00 0.08 0.00 0.00 29.97 30.71 1j21 h ARG 388 CO 0.06 0.78 0.41 0.28 -1.07 0.00 0.00 179.97 180.43 1j21 h VAL 389 N 0.52 1.10 -0.04 2.04 2.07 -1.00 0.46 116.25 121.39 1j21 h VAL 389 Ca 0.11 -0.28 0.02 0.00 0.82 0.00 0.00 66.70 67.37 1j21 h VAL 389 Cb 0.47 0.22 -0.02 0.00 -1.52 0.00 0.00 31.29 30.44 1j21 h VAL 389 CO 0.02 0.15 -0.07 -0.09 0.02 0.00 0.00 177.57 177.60 1j21 h ARG 390 N 0.80 -0.09 -0.49 1.57 2.43 -0.97 -1.00 114.38 116.64 1j21 h ARG 390 Ca 0.26 0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.44 1j21 h ARG 390 Cb 0.00 0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 29.55 1j21 h ARG 390 CO -0.10 -0.06 0.32 0.00 -1.51 0.00 0.00 179.97 178.62 1j21 h ALA 391 N 0.93 0.62 -0.78 2.80 0.00 -0.66 -1.00 119.26 121.16 1j21 h ALA 391 Ca 0.04 -0.04 -0.04 0.00 0.00 0.00 0.00 54.91 54.88 1j21 h ALA 391 Cb 0.16 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 17.72 1j21 h ALA 391 CO -0.10 0.07 0.34 -0.07 0.00 0.00 0.00 179.25 179.49 1j21 h LEU 392 N 0.66 1.05 -0.59 0.00 3.38 -0.70 -2.56 115.31 116.56 1j21 h LEU 392 Ca 0.18 -0.14 -0.06 0.00 0.09 0.00 0.00 57.88 57.94 1j21 h LEU 392 Cb -0.07 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.39 1j21 h LEU 392 CO -0.04 0.91 0.11 0.58 0.09 0.00 0.00 178.44 180.09 1j21 h VAL 393 N 1.13 1.25 0.00 1.22 2.07 -0.76 0.46 116.25 121.62 1j21 h VAL 393 Ca 0.27 -0.95 0.00 0.00 0.82 0.00 0.00 66.70 66.83 1j21 h VAL 393 Cb 0.16 0.74 0.00 0.00 -1.52 0.00 0.00 31.29 30.67 1j21 h VAL 393 CO -0.03 0.35 0.00 -0.62 0.02 0.00 0.00 177.57 177.29 1j21 n GLU 394 N -4.34 0.05 -0.75 1.57 -0.58 -0.42 -5.11 120.64 111.07 1j21 n GLU 394 Ca 0.03 0.28 0.00 0.00 -0.42 0.00 0.00 57.16 57.05 1j21 n GLU 394 Cb 0.26 -1.50 0.00 0.00 -0.57 0.00 0.00 31.44 29.63 1j21 n GLU 394 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19