#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3c18 n GLU 2 N 0.00 0.00 -0.03 1.61 0.00 -1.26 -1.57 120.64 119.39 3c18 n GLU 2 Ca 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 57.16 56.99 3c18 n GLU 2 Cb 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 31.44 31.37 3c18 n GLU 2 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.13 179.09 3c18 h GLN 3 N 0.00 0.73 -0.18 5.31 4.20 -2.03 -2.67 115.11 120.47 3c18 h GLN 3 Ca 0.00 -0.57 -0.07 0.00 0.06 0.00 0.00 58.65 58.07 3c18 h GLN 3 Cb 0.00 0.11 -0.01 0.00 0.30 0.00 0.00 27.48 27.88 3c18 h GLN 3 CO 0.00 1.19 -0.18 0.00 -0.67 0.00 0.00 178.83 179.17 3c18 h ALA 4 N 0.55 1.36 -0.23 3.87 0.00 -1.78 -3.10 119.26 119.93 3c18 h ALA 4 Ca -0.04 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.61 3c18 h ALA 4 Cb 1.29 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.98 3c18 h ALA 4 CO 0.14 0.44 0.00 0.25 0.00 0.00 0.00 179.25 180.08 3c18 n THR 5 N -4.21 1.16 -0.21 0.00 -2.24 -1.23 -4.72 114.28 102.84 3c18 n THR 5 Ca -0.00 -1.14 0.09 0.00 -2.27 0.00 0.00 64.05 60.72 3c18 n THR 5 Cb 0.32 0.39 0.37 0.00 -2.10 0.00 0.00 70.33 69.32 3c18 n THR 5 CO 0.00 0.00 0.00 -0.09 -0.57 0.00 0.00 175.07 174.41 3c18 h ARG 6 N 1.35 0.69 0.00 -0.78 2.43 -1.39 0.05 114.38 116.73 3c18 h ARG 6 Ca 0.00 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.13 3c18 h ARG 6 Cb 0.75 -0.16 0.00 0.00 -0.42 0.00 0.00 29.97 30.14 3c18 h ARG 6 CO 0.02 0.46 0.00 1.79 -1.51 0.00 0.00 179.97 180.73 3c18 h THR 7 N 0.71 0.00 0.03 0.20 1.35 -1.84 -1.87 112.91 111.49 3c18 h THR 7 Ca 0.36 -0.48 -0.28 0.00 -0.55 0.00 0.00 66.41 65.47 3c18 h THR 7 Cb 0.45 1.39 -0.03 0.00 -1.73 0.00 0.00 68.15 68.23 3c18 h THR 7 CO -0.14 0.00 -1.51 -0.38 -0.25 0.00 0.00 175.52 173.24 3c18 n ILE 8 N -2.45 1.59 0.13 6.82 5.41 -0.08 -4.60 119.36 126.18 3c18 n ILE 8 Ca 0.04 -0.20 0.09 0.00 1.00 0.00 0.00 62.75 63.68 3c18 n ILE 8 Cb 0.37 -1.96 0.04 0.00 -0.71 0.00 0.00 39.64 37.38 3c18 n ILE 8 CO 0.00 0.00 0.00 0.10 0.00 0.00 0.00 176.55 176.65 3c18 h TYR 9 N -0.74 0.00 -0.85 1.39 -0.00 -1.28 -3.37 116.97 112.12 3c18 h TYR 9 Ca -0.39 0.00 0.06 0.00 0.00 0.00 0.00 58.73 58.41 3c18 h TYR 9 Cb 1.50 0.00 -0.05 0.00 0.00 0.00 0.00 36.73 38.17 3c18 h TYR 9 CO 0.08 0.14 0.55 0.77 -0.00 0.00 0.00 178.16 179.70 3c18 h SER 10 N 0.00 0.83 -0.37 0.10 0.02 -1.58 -0.36 113.55 112.18 3c18 h SER 10 Ca -0.02 0.01 -0.04 0.00 -0.84 0.00 0.00 61.79 60.89 3c18 h SER 10 Cb 1.13 -0.17 -0.02 0.00 0.14 0.00 0.00 62.40 63.47 3c18 h SER 10 CO 0.01 0.53 0.09 -0.33 -1.14 0.00 0.00 176.83 176.00 3c18 h GLU 11 N 0.94 0.67 -0.27 3.45 5.08 -1.84 -1.86 114.58 120.76 3c18 h GLU 11 Ca 0.36 -0.13 -0.13 0.00 -1.00 0.00 0.00 59.36 58.46 3c18 h GLU 11 Cb 0.22 -0.11 -0.00 0.00 0.50 0.00 0.00 28.75 29.36 3c18 h GLU 11 CO -0.13 0.63 -0.35 1.88 -1.00 0.00 0.00 179.01 180.04 3c18 h TYR 12 N 0.65 0.87 -0.36 4.33 -1.99 -1.35 -2.76 116.97 116.35 3c18 h TYR 12 Ca 0.15 -0.28 0.02 0.00 2.00 0.00 0.00 58.73 60.62 3c18 h TYR 12 Cb 0.27 -0.17 -0.02 0.00 2.00 0.00 0.00 36.73 38.81 3c18 h TYR 12 CO 0.01 1.04 0.24 0.00 -0.00 0.00 0.00 178.16 179.46 3c18 h ALA 13 N 0.68 1.84 0.00 3.88 0.00 -0.83 -2.01 119.26 122.82 3c18 h ALA 13 Ca 0.03 -0.02 -0.08 0.00 0.00 0.00 0.00 54.91 54.84 3c18 h ALA 13 Cb 0.93 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.60 3c18 h ALA 13 CO 0.08 0.12 -0.38 0.00 0.00 0.00 0.00 179.25 179.06 3c18 h ALA 14 N 1.79 0.96 -2.19 0.00 0.00 -1.06 -3.43 119.26 115.33 3c18 h ALA 14 Ca 0.15 -0.35 -0.57 0.00 0.00 0.00 0.00 54.91 54.14 3c18 h ALA 14 Cb 0.09 -0.06 -0.05 0.00 0.00 0.00 0.00 17.79 17.76 3c18 h ALA 14 CO -0.03 0.48 0.66 -0.47 0.00 0.00 0.00 179.25 179.88 3c18 s TYR 15 N -3.55 3.42 0.59 0.00 5.04 -0.75 -4.90 117.35 117.20 3c18 s TYR 15 Ca 0.00 1.50 0.29 0.00 -2.44 0.00 0.00 57.07 56.42 3c18 s TYR 15 Cb 0.11 -3.21 1.56 0.00 0.35 0.00 0.00 41.96 40.77 3c18 s TYR 15 CO 0.69 -0.35 1.99 -1.35 -1.34 0.00 0.00 175.55 175.19 3c18 h PRO 16 N 7.29 0.00 0.00 4.97 0.11 -1.86 -1.33 132.00 141.18 3c18 h PRO 16 Ca -0.25 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.86 3c18 h PRO 16 Cb 1.10 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.21 3c18 h PRO 16 CO 0.91 0.00 0.00 0.39 -0.21 0.00 0.00 178.00 179.09 3c18 n GLU 17 N -3.72 0.12 -2.19 1.05 -0.58 -1.26 -4.81 120.64 109.25 3c18 n GLU 17 Ca 0.05 0.11 -0.42 0.00 -0.42 0.00 0.00 57.16 56.48 3c18 n GLU 17 Cb 0.50 -1.64 -0.03 0.00 -0.57 0.00 0.00 31.44 29.70 3c18 n GLU 17 CO 0.00 0.00 0.00 0.99 -0.48 0.00 0.00 177.13 177.64 3c18 s THR 18 N -3.05 3.64 -0.12 2.62 2.01 -0.50 -1.40 115.64 118.84 3c18 s THR 18 Ca 0.12 1.03 0.20 0.00 0.31 0.00 0.00 61.69 63.35 3c18 s THR 18 Cb 0.15 -3.66 -0.27 0.00 0.01 0.00 0.00 72.50 68.73 3c18 s THR 18 CO 0.54 -0.00 0.36 0.00 -0.69 0.00 0.00 174.62 174.83 3c18 n GLN 19 N 5.42 0.67 -3.61 4.92 1.13 0.87 -4.55 117.38 122.22 3c18 n GLN 19 Ca 0.13 -0.06 -0.05 0.00 -1.94 0.00 0.00 57.00 55.08 3c18 n GLN 19 Cb 0.43 -1.56 -0.04 0.00 0.11 0.00 0.00 30.24 29.18 3c18 n GLN 19 CO 0.00 0.00 0.00 0.20 -1.44 0.00 0.00 177.06 175.82 3c18 s GLY 20 N -4.95 -0.08 -0.09 1.08 0.00 -1.06 -1.34 107.32 100.87 3c18 s GLY 20 Ca -0.08 2.39 -0.01 0.00 0.00 0.00 0.00 44.72 47.02 3c18 s GLY 20 CO 0.86 1.00 -0.04 -0.42 0.00 0.00 0.00 173.10 174.50 3c18 s ILE 21 N -1.26 0.72 -0.01 0.90 1.01 0.92 -0.32 121.20 123.17 3c18 s ILE 21 Ca 0.06 -0.10 0.04 0.00 0.00 0.00 0.00 60.65 60.65 3c18 s ILE 21 Cb -0.01 -0.80 -0.03 0.00 0.01 0.00 0.00 42.46 41.63 3c18 s ILE 21 CO -0.04 0.32 -0.12 -0.63 0.00 0.00 0.00 174.94 174.46 3c18 s ILE 22 N 1.80 3.21 -0.06 2.92 -1.09 0.00 -0.08 121.20 127.91 3c18 s ILE 22 Ca 0.04 -0.87 0.05 0.00 -2.23 0.00 0.00 60.65 57.65 3c18 s ILE 22 Cb -0.12 -2.34 -0.01 0.00 -1.58 0.00 0.00 42.46 38.40 3c18 s ILE 22 CO -0.07 0.45 -0.23 0.00 -1.23 0.00 0.00 174.94 173.86 3c18 s ALA 23 N -0.88 2.26 -0.12 9.38 0.00 0.03 -0.42 121.76 132.01 3c18 s ALA 23 Ca 0.14 -1.03 0.01 0.00 0.00 0.00 0.00 51.96 51.08 3c18 s ALA 23 Cb -0.11 -0.74 0.02 0.00 0.00 0.00 0.00 23.12 22.29 3c18 s ALA 23 CO 0.04 0.43 -0.12 0.08 0.00 0.00 0.00 175.76 176.19 3c18 s VAL 24 N -0.22 1.33 0.19 0.00 1.01 0.23 -0.53 120.40 122.41 3c18 s VAL 24 Ca -0.02 -0.51 -0.21 0.00 0.00 0.00 0.00 61.98 61.25 3c18 s VAL 24 Cb -0.13 -1.26 -0.08 0.00 0.00 0.00 0.00 36.38 34.91 3c18 s VAL 24 CO 0.03 0.41 0.72 -0.70 0.00 0.00 0.00 175.10 175.56 3c18 s GLU 25 N 1.32 4.32 0.63 2.72 2.12 -1.26 -0.50 118.70 128.05 3c18 s GLU 25 Ca -0.01 0.92 -0.18 0.00 0.36 0.00 0.00 54.97 56.06 3c18 s GLU 25 Cb -0.14 -3.01 -0.03 0.00 0.26 0.00 0.00 34.13 31.22 3c18 s GLU 25 CO -0.06 0.46 1.12 0.36 -0.54 0.00 0.00 175.26 176.61 3c18 n LYS 26 N 1.04 1.00 -0.06 4.30 2.85 -0.22 -4.92 118.16 122.15 3c18 n LYS 26 Ca -0.04 0.39 -0.14 0.00 -1.05 0.00 0.00 58.31 57.47 3c18 n LYS 26 Cb 0.50 -2.35 -0.14 0.00 -0.65 0.00 0.00 35.03 32.40 3c18 n LYS 26 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 177.40 177.89 3c18 n ARG 27 N -1.45 0.68 -4.00 -1.58 1.74 -1.26 -5.01 116.66 105.78 3c18 n ARG 27 Ca 0.15 0.17 -0.11 0.00 -0.77 0.00 0.00 57.85 57.29 3c18 n ARG 27 Cb 0.48 -1.63 -0.04 0.00 -1.02 0.00 0.00 32.46 30.25 3c18 n ARG 27 CO 0.00 0.00 0.00 1.14 -1.52 0.00 0.00 177.63 177.25 3c18 s GLN 28 N -2.54 1.77 0.74 5.56 -2.07 -1.26 -5.10 119.66 116.76 3c18 s GLN 28 Ca -0.17 -1.43 -0.13 0.00 -1.82 0.00 0.00 55.36 51.80 3c18 s GLN 28 Cb 0.07 0.49 0.04 0.00 -1.09 0.00 0.00 33.01 32.52 3c18 s GLN 28 CO 0.76 -0.75 1.14 -2.14 -1.32 0.00 0.00 175.29 172.98 3c18 s PRO 29 N -3.46 2.23 -1.85 9.60 0.02 -1.26 -2.94 135.00 137.33 3c18 s PRO 29 Ca 0.24 1.50 0.00 0.00 0.02 0.00 0.00 61.00 62.75 3c18 s PRO 29 Cb -0.01 -1.87 0.00 0.00 0.02 0.00 0.00 34.50 32.64 3c18 s PRO 29 CO 0.13 -1.71 0.00 0.54 -0.33 0.00 0.00 177.00 175.63 3c18 n ARG 30 N -2.97 -1.65 -1.88 5.54 5.12 -1.26 -4.89 116.66 114.67 3c18 n ARG 30 Ca 0.11 1.05 -0.43 0.00 -1.93 0.00 0.00 57.85 56.65 3c18 n ARG 30 Cb 0.52 -5.68 -0.03 0.00 -1.16 0.00 0.00 32.46 26.11 3c18 n ARG 30 CO 0.00 0.00 0.00 0.34 -1.93 0.00 0.00 177.63 176.04 3c18 s ASP 31 N -2.15 6.20 0.58 0.55 -1.08 -1.15 -4.69 116.67 114.94 3c18 s ASP 31 Ca 0.00 1.99 0.35 0.00 -0.52 0.00 0.00 52.55 54.38 3c18 s ASP 31 Cb 0.00 -2.53 1.76 0.00 -1.46 0.00 0.00 42.92 40.69 3c18 s ASP 31 CO 0.00 -1.35 2.14 0.77 0.52 0.00 0.00 175.17 177.26 3c18 h SER 32 N 11.62 0.00 -0.67 -0.34 4.64 -1.93 0.39 113.55 127.26 3c18 h SER 32 Ca -0.40 0.00 0.02 0.00 -0.47 0.00 0.00 61.79 60.94 3c18 h SER 32 Cb 1.20 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 63.25 3c18 h SER 32 CO 0.97 0.04 0.44 0.25 -0.87 0.00 0.00 176.83 177.66 3c18 h LEU 33 N 0.00 0.72 -3.16 5.97 5.85 -1.98 -2.69 115.31 120.02 3c18 h LEU 33 Ca -0.00 -0.01 -0.04 0.00 0.84 0.00 0.00 57.88 58.67 3c18 h LEU 33 Cb 0.29 -0.17 -0.02 0.00 0.37 0.00 0.00 40.66 41.12 3c18 h LEU 33 CO 0.01 0.51 -0.09 0.35 -0.34 0.00 0.00 178.44 178.87 3c18 n THR 34 N -4.45 2.21 -2.54 1.05 -2.24 -0.97 -4.95 114.28 102.39 3c18 n THR 34 Ca 0.08 -2.39 -0.19 0.00 -2.27 0.00 0.00 64.05 59.27 3c18 n THR 34 Cb 0.09 -0.26 0.00 0.00 -2.10 0.00 0.00 70.33 68.06 3c18 n THR 34 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 3c18 n ASP 35 N -1.03 -5.58 -0.03 3.42 8.00 -1.01 -1.44 116.55 118.88 3c18 n ASP 35 Ca 0.22 -0.09 -0.00 0.00 0.71 0.00 0.00 54.79 55.62 3c18 n ASP 35 Cb 0.82 -4.56 -0.00 0.00 -0.02 0.00 0.00 41.12 37.36 3c18 n ASP 35 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3c18 n GLN 36 N -3.11 -1.05 -2.68 -1.24 3.00 0.13 -4.97 117.38 107.46 3c18 n GLN 36 Ca -0.19 0.28 -0.16 0.00 -0.01 0.00 0.00 57.00 56.93 3c18 n GLN 36 Cb 0.65 -4.08 0.04 0.00 0.00 0.00 0.00 30.24 26.85 3c18 n GLN 36 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.06 178.25 3c18 n PHE 37 N -2.48 -2.01 0.05 1.08 3.72 -0.52 -4.61 117.46 112.69 3c18 n PHE 37 Ca -0.00 -1.62 -0.15 0.00 -0.05 0.00 0.00 57.45 55.63 3c18 n PHE 37 Cb 0.27 -0.39 -0.14 0.00 -0.94 0.00 0.00 39.48 38.28 3c18 n PHE 37 CO 0.00 0.00 0.00 -0.44 -0.05 0.00 0.00 176.76 176.27 3c18 h ASP 38 N 0.19 0.29 -4.01 4.37 3.32 -1.38 -3.42 116.42 115.78 3c18 h ASP 38 Ca -0.22 -0.41 -0.18 0.00 0.02 0.00 0.00 57.03 56.24 3c18 h ASP 38 Cb 0.93 -0.09 -0.25 0.00 0.22 0.00 0.00 39.33 40.13 3c18 h ASP 38 CO 0.32 1.34 -0.54 -0.69 -1.72 0.00 0.00 179.24 177.96 3c18 s VAL 39 N -2.62 0.02 -0.11 -1.35 1.01 -1.07 -1.05 120.40 115.22 3c18 s VAL 39 Ca -0.07 -0.14 0.03 0.00 0.00 0.00 0.00 61.98 61.80 3c18 s VAL 39 Cb 0.07 -0.25 -0.00 0.00 0.00 0.00 0.00 36.38 36.20 3c18 s VAL 39 CO 0.84 -0.07 -0.22 -0.22 0.00 0.00 0.00 175.10 175.43 3c18 s LEU 40 N -0.20 2.23 -0.17 3.92 0.20 0.35 -1.63 118.68 123.38 3c18 s LEU 40 Ca -0.03 -0.51 -0.04 0.00 0.69 0.00 0.00 54.13 54.24 3c18 s LEU 40 Cb -0.02 -1.46 -0.02 0.00 -0.43 0.00 0.00 46.19 44.26 3c18 s LEU 40 CO 0.00 0.16 -0.04 -0.76 -0.29 0.00 0.00 176.35 175.42 3c18 s LEU 41 N 0.37 3.19 -0.29 -0.68 1.43 0.29 -0.60 118.68 122.39 3c18 s LEU 41 Ca -0.17 -0.17 -0.05 0.00 -1.03 0.00 0.00 54.13 52.72 3c18 s LEU 41 Cb -0.17 -1.78 0.02 0.00 0.03 0.00 0.00 46.19 44.29 3c18 s LEU 41 CO 0.08 0.14 0.04 -0.22 0.23 0.00 0.00 176.35 176.61 3c18 s LEU 42 N 0.53 3.76 -0.26 1.79 2.96 0.44 -0.16 118.68 127.74 3c18 s LEU 42 Ca -0.03 -0.90 -0.06 0.00 -0.22 0.00 0.00 54.13 52.92 3c18 s LEU 42 Cb -0.14 -1.80 -0.01 0.00 0.50 0.00 0.00 46.19 44.74 3c18 s LEU 42 CO 0.03 -0.21 0.04 -0.69 -1.32 0.00 0.00 176.35 174.20 3c18 s VAL 43 N 1.40 3.87 -0.22 1.68 1.01 -0.34 -0.82 120.40 126.99 3c18 s VAL 43 Ca 0.00 -0.48 -0.09 0.00 0.00 0.00 0.00 61.98 61.41 3c18 s VAL 43 Cb -0.18 -2.87 -0.04 0.00 0.00 0.00 0.00 36.38 33.29 3c18 s VAL 43 CO 0.00 0.26 0.11 -0.63 0.00 0.00 0.00 175.10 174.85 3c18 s ILE 44 N 1.52 5.01 0.12 2.22 1.09 0.57 -1.54 121.20 130.18 3c18 s ILE 44 Ca 0.05 0.05 0.02 0.00 -1.10 0.00 0.00 60.65 59.67 3c18 s ILE 44 Cb -0.16 -3.31 -0.04 0.00 -1.06 0.00 0.00 42.46 37.89 3c18 s ILE 44 CO 0.01 0.38 -0.06 0.28 -0.10 0.00 0.00 174.94 175.46 3c18 s THR 45 N 0.90 0.74 -1.20 2.92 -1.32 -0.39 -0.09 115.64 117.20 3c18 s THR 45 Ca 0.06 -1.96 0.14 0.00 -1.21 0.00 0.00 61.69 58.72 3c18 s THR 45 Cb -0.13 -1.77 0.42 0.00 -1.51 0.00 0.00 72.50 69.51 3c18 s THR 45 CO 0.03 -0.79 1.35 0.54 -2.21 0.00 0.00 174.62 173.54 3c18 n ARG 46 N -0.09 2.87 -1.69 7.08 1.74 -0.49 -0.82 116.66 125.25 3c18 n ARG 46 Ca -0.11 -2.28 -0.52 0.00 -0.77 0.00 0.00 57.85 54.17 3c18 n ARG 46 Cb 0.61 -1.39 -0.06 0.00 -1.02 0.00 0.00 32.46 30.60 3c18 n ARG 46 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 3c18 n ASP 47 N 0.83 2.88 0.18 0.55 -0.08 -1.26 -4.83 116.55 114.82 3c18 n ASP 47 Ca 0.16 1.03 0.14 0.00 -1.51 0.00 0.00 54.79 54.61 3c18 n ASP 47 Cb 0.51 -1.27 0.56 0.00 2.34 0.00 0.00 41.12 43.26 3c18 n ASP 47 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 3c18 h PRO 48 N 7.92 0.00 -0.00 -0.67 0.11 -2.00 -2.52 132.00 134.83 3c18 h PRO 48 Ca -0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 3c18 h PRO 48 Cb 1.29 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.40 3c18 h PRO 48 CO 0.94 0.00 -0.19 -1.13 -0.21 0.00 0.00 178.00 177.41 3c18 n SER 49 N -2.54 0.46 -4.68 -2.05 3.41 -1.26 -4.88 113.62 102.08 3c18 n SER 49 Ca 0.02 -0.36 -0.35 0.00 -0.26 0.00 0.00 58.87 57.91 3c18 n SER 49 Cb 0.26 -0.05 -0.09 0.00 -0.26 0.00 0.00 64.21 64.06 3c18 n SER 49 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 3c18 s VAL 50 N -2.67 4.37 0.00 -3.33 1.01 -0.95 -5.00 120.40 113.82 3c18 s VAL 50 Ca 0.22 -0.22 0.00 0.00 0.00 0.00 0.00 61.98 61.98 3c18 s VAL 50 Cb 0.19 -2.85 0.00 0.00 0.00 0.00 0.00 36.38 33.73 3c18 s VAL 50 CO 0.54 0.60 0.00 1.21 0.00 0.00 0.00 175.10 177.44 3c18 n GLU 51 N 2.23 0.00 -3.66 2.72 2.13 -1.26 -4.45 120.64 118.36 3c18 n GLU 51 Ca -0.19 0.00 -0.06 0.00 0.66 0.00 0.00 57.16 57.58 3c18 n GLU 51 Cb 0.54 -0.13 -0.07 0.00 0.27 0.00 0.00 31.44 32.04 3c18 n GLU 51 CO 0.00 0.00 0.00 -0.46 -0.41 0.00 0.00 177.13 176.26 3c18 s TRP 52 N -0.81 -1.03 0.22 4.31 -0.00 -1.26 -0.92 118.94 119.45 3c18 s TRP 52 Ca 0.00 1.94 -0.02 0.00 -0.00 0.00 0.00 56.10 58.02 3c18 s TRP 52 Cb 0.00 0.56 -0.03 0.00 -0.00 0.00 0.00 33.47 34.00 3c18 s TRP 52 CO 0.00 -0.54 0.20 -0.08 -0.00 0.00 0.00 176.95 176.53 3c18 s THR 53 N 2.28 0.00 -0.01 5.86 -1.32 0.32 -5.00 115.64 117.77 3c18 s THR 53 Ca -0.07 -1.91 0.02 0.00 -1.21 0.00 0.00 61.69 58.53 3c18 s THR 53 Cb -0.10 -2.46 -0.00 0.00 -1.51 0.00 0.00 72.50 68.43 3c18 s THR 53 CO -0.17 0.00 -0.08 -0.69 -2.21 0.00 0.00 174.62 171.47 3c18 s VAL 54 N -4.05 0.65 0.02 5.08 1.01 -1.26 -0.62 120.40 121.23 3c18 s VAL 54 Ca 0.37 -0.33 0.05 0.00 0.00 0.00 0.00 61.98 62.07 3c18 s VAL 54 Cb 0.05 -0.55 -0.02 0.00 0.00 0.00 0.00 36.38 35.86 3c18 s VAL 54 CO 0.13 0.19 -0.16 -0.54 0.00 0.00 0.00 175.10 174.72 3c18 s LYS 55 N -0.09 1.16 -0.08 2.72 1.02 -0.33 -5.00 119.74 119.14 3c18 s LYS 55 Ca 0.02 -0.73 0.04 0.00 0.02 0.00 0.00 55.97 55.32 3c18 s LYS 55 Cb -0.04 -1.18 0.00 0.00 -0.52 0.00 0.00 37.83 36.09 3c18 s LYS 55 CO -0.00 0.31 -0.20 -1.01 -0.92 0.00 0.00 175.35 173.52 3c18 s HIS 56 N -0.66 2.17 0.15 3.18 3.76 -1.26 -0.52 115.29 122.11 3c18 s HIS 56 Ca 0.05 -0.83 0.03 0.00 -0.15 0.00 0.00 55.06 54.15 3c18 s HIS 56 Cb -0.07 -1.47 -0.04 0.00 1.11 0.00 0.00 32.58 32.10 3c18 s HIS 56 CO 0.01 -0.34 -0.07 0.71 -0.85 0.00 0.00 174.74 174.20 3c18 s TYR 57 N 0.37 1.21 -0.04 1.40 2.02 -0.00 -5.01 117.35 117.29 3c18 s TYR 57 Ca -0.15 -0.85 0.03 0.00 -0.37 0.00 0.00 57.07 55.72 3c18 s TYR 57 Cb -0.17 -0.65 0.01 0.00 -0.40 0.00 0.00 41.96 40.75 3c18 s TYR 57 CO 0.07 -0.03 -0.12 0.50 -1.57 0.00 0.00 175.55 174.40 3c18 s ARG 58 N -3.81 1.42 -0.31 -0.62 3.52 -1.26 -0.38 118.95 117.52 3c18 s ARG 58 Ca 0.18 -0.41 0.03 0.00 -0.13 0.00 0.00 55.73 55.40 3c18 s ARG 58 Cb 0.04 -1.24 0.09 0.00 -1.56 0.00 0.00 34.95 32.28 3c18 s ARG 58 CO 0.01 0.11 0.01 -0.51 -0.81 0.00 0.00 175.30 174.11 3c18 s LEU 59 N 0.35 4.05 0.00 -0.88 1.43 0.11 -4.95 118.68 118.80 3c18 s LEU 59 Ca -0.08 -1.86 0.00 0.00 -1.03 0.00 0.00 54.13 51.16 3c18 s LEU 59 Cb -0.12 -1.50 0.00 0.00 0.03 0.00 0.00 46.19 44.60 3c18 s LEU 59 CO 0.02 -0.33 0.00 0.59 0.23 0.00 0.00 176.35 176.86 3c18 n ASN 60 N 4.38 0.00 -0.00 2.29 3.02 -1.26 -1.10 115.26 122.59 3c18 n ASN 60 Ca -0.02 0.00 0.05 0.00 -0.03 0.00 0.00 54.58 54.58 3c18 n ASN 60 Cb 0.42 0.00 -0.06 0.00 -0.61 0.00 0.00 39.78 39.54 3c18 n ASN 60 CO 0.00 0.00 0.00 0.35 -2.62 0.00 0.00 177.26 174.99 3c18 n THR 61 N 0.00 0.00 -2.87 3.41 -2.24 -1.26 -4.97 114.28 106.35 3c18 n THR 61 Ca 0.00 -0.27 -0.42 0.00 -2.27 0.00 0.00 64.05 61.10 3c18 n THR 61 Cb 0.00 0.99 -0.04 0.00 -2.10 0.00 0.00 70.33 69.17 3c18 n THR 61 CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 3c18 s LEU 62 N -2.49 4.07 -0.18 3.22 2.96 -0.26 -5.02 118.68 120.98 3c18 s LEU 62 Ca 0.04 0.97 -0.16 0.00 -0.22 0.00 0.00 54.13 54.76 3c18 s LEU 62 Cb 0.07 -3.21 -0.04 0.00 0.50 0.00 0.00 46.19 43.52 3c18 s LEU 62 CO 0.41 -0.57 0.42 -0.13 -1.32 0.00 0.00 176.35 175.15 3c18 s ARG 63 N 2.95 4.21 -0.11 1.98 0.52 -1.26 0.10 118.95 127.33 3c18 s ARG 63 Ca 0.36 0.26 0.03 0.00 -0.52 0.00 0.00 55.73 55.85 3c18 s ARG 63 Cb -0.15 -3.51 0.01 0.00 0.52 0.00 0.00 34.95 31.82 3c18 s ARG 63 CO 0.09 0.00 -0.19 0.08 0.02 0.00 0.00 175.30 175.30 3c18 s VAL 64 N 1.17 1.79 -0.21 3.52 1.01 0.49 -1.15 120.40 127.02 3c18 s VAL 64 Ca 0.20 -0.83 -0.07 0.00 0.00 0.00 0.00 61.98 61.28 3c18 s VAL 64 Cb -0.15 -1.59 -0.04 0.00 0.00 0.00 0.00 36.38 34.61 3c18 s VAL 64 CO 0.08 0.50 0.06 -0.55 0.00 0.00 0.00 175.10 175.19 3c18 s SER 65 N 0.76 5.42 -0.22 3.32 0.15 -0.64 -0.82 113.70 121.66 3c18 s SER 65 Ca -0.10 -0.03 -0.03 0.00 0.70 0.00 0.00 55.95 56.49 3c18 s SER 65 Cb -0.16 -1.94 0.00 0.00 -1.71 0.00 0.00 66.02 62.21 3c18 s SER 65 CO 0.01 0.10 -0.06 -0.22 1.20 0.00 0.00 173.24 174.27 3c18 s LEU 66 N 0.83 2.89 -0.25 3.45 0.20 0.32 -0.55 118.68 125.56 3c18 s LEU 66 Ca 0.03 -0.51 -0.09 0.00 0.69 0.00 0.00 54.13 54.26 3c18 s LEU 66 Cb -0.14 -1.70 -0.04 0.00 -0.43 0.00 0.00 46.19 43.88 3c18 s LEU 66 CO 0.02 -0.04 0.12 -1.00 -0.29 0.00 0.00 176.35 175.16 3c18 s HIS 67 N 1.44 3.17 -0.21 5.38 3.76 0.77 -1.19 115.29 128.40 3c18 s HIS 67 Ca 0.05 -0.12 -0.04 0.00 -0.15 0.00 0.00 55.06 54.80 3c18 s HIS 67 Cb -0.15 -2.27 -0.01 0.00 1.11 0.00 0.00 32.58 31.26 3c18 s HIS 67 CO -0.04 -0.19 -0.03 -1.17 -0.85 0.00 0.00 174.74 172.45 3c18 s LEU 68 N 1.47 2.98 -0.01 0.89 2.96 0.21 -1.20 118.68 125.99 3c18 s LEU 68 Ca 0.06 -0.34 0.01 0.00 -0.22 0.00 0.00 54.13 53.64 3c18 s LEU 68 Cb -0.15 -1.76 0.01 0.00 0.50 0.00 0.00 46.19 44.79 3c18 s LEU 68 CO 0.06 0.01 -0.02 0.54 -1.32 0.00 0.00 176.35 175.61 3c18 s VAL 69 N 1.33 0.23 0.41 1.68 0.11 -0.59 -0.52 120.40 123.06 3c18 s VAL 69 Ca 0.04 -0.06 -0.26 0.00 -2.93 0.00 0.00 61.98 58.78 3c18 s VAL 69 Cb -0.14 -0.25 -0.09 0.00 -1.53 0.00 0.00 36.38 34.37 3c18 s VAL 69 CO -0.01 0.10 1.33 -2.28 -3.33 0.00 0.00 175.10 170.91 3c18 s HIS 70 N 0.36 2.75 0.45 1.54 2.46 -0.09 -1.26 115.29 121.49 3c18 s HIS 70 Ca -0.03 1.38 0.17 0.00 0.47 0.00 0.00 55.06 57.05 3c18 s HIS 70 Cb -0.06 -3.72 1.11 0.00 -0.13 0.00 0.00 32.58 29.78 3c18 s HIS 70 CO -0.01 -2.25 1.95 1.49 -2.47 0.00 0.00 174.74 173.45 3c18 h GLU 71 N 2.61 0.32 0.00 2.88 4.81 -1.33 -1.25 114.58 122.63 3c18 h GLU 71 Ca -0.50 -0.02 -0.08 0.00 -0.13 0.00 0.00 59.36 58.63 3c18 h GLU 71 Cb 1.25 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 30.54 3c18 h GLU 71 CO 0.62 0.21 -0.40 1.96 -0.73 0.00 0.00 179.01 180.68 3c18 h GLN 72 N 0.33 0.00 -0.01 1.92 4.20 -1.91 -1.81 115.11 117.84 3c18 h GLN 72 Ca 0.32 0.00 -0.04 0.00 0.06 0.00 0.00 58.65 58.99 3c18 h GLN 72 Cb 0.80 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.59 3c18 h GLN 72 CO -0.09 0.40 -0.15 0.28 -0.67 0.00 0.00 178.83 178.60 3c18 h VAL 73 N 0.00 1.54 -0.48 -0.54 2.07 -1.56 -2.84 116.25 114.44 3c18 h VAL 73 Ca -0.00 -1.81 -0.01 0.00 0.82 0.00 0.00 66.70 65.70 3c18 h VAL 73 Cb 1.26 2.68 -0.02 0.00 -1.52 0.00 0.00 31.29 33.69 3c18 h VAL 73 CO 0.05 0.49 0.28 0.25 0.02 0.00 0.00 177.57 178.66 3c18 h LEU 74 N -0.54 0.58 -0.70 2.57 5.85 -1.44 -0.85 115.31 120.79 3c18 h LEU 74 Ca -0.02 -0.07 0.07 0.00 0.84 0.00 0.00 57.88 58.70 3c18 h LEU 74 Cb 0.88 -0.15 -0.06 0.00 0.37 0.00 0.00 40.66 41.70 3c18 h LEU 74 CO 0.03 0.48 0.38 -1.28 -0.34 0.00 0.00 178.44 177.71 3c18 h SER 75 N 0.63 0.54 -0.24 1.25 0.87 -1.40 -0.31 113.55 114.89 3c18 h SER 75 Ca 0.17 0.04 -0.13 0.00 -1.23 0.00 0.00 61.79 60.64 3c18 h SER 75 Cb 0.02 -0.06 -0.01 0.00 -0.44 0.00 0.00 62.40 61.91 3c18 h SER 75 CO -0.03 0.33 -0.33 -0.09 -0.53 0.00 0.00 176.83 176.18 3c18 h ARG 76 N 0.67 0.76 -0.73 2.24 2.43 -1.18 -0.38 114.38 118.19 3c18 h ARG 76 Ca 0.32 -0.36 -0.01 0.00 -0.81 0.00 0.00 59.98 59.12 3c18 h ARG 76 Cb 0.26 -0.01 -0.03 0.00 -0.42 0.00 0.00 29.97 29.76 3c18 h ARG 76 CO -0.21 0.98 0.41 -1.49 -1.51 0.00 0.00 179.97 178.15 3c18 h TRP 77 N 0.64 0.99 -0.39 2.20 6.55 -0.20 -1.58 115.95 124.15 3c18 h TRP 77 Ca 0.07 -0.02 -0.08 0.00 0.95 0.00 0.00 58.89 59.81 3c18 h TRP 77 Cb 0.86 -0.32 -0.01 0.00 -0.86 0.00 0.00 29.16 28.83 3c18 h TRP 77 CO 0.05 0.69 -0.06 -0.07 -1.05 0.00 0.00 178.44 178.00 3c18 h LEU 78 N 1.00 0.72 -1.14 -4.49 3.38 -0.80 0.68 115.31 114.66 3c18 h LEU 78 Ca 0.26 -0.34 -0.04 0.00 0.09 0.00 0.00 57.88 57.84 3c18 h LEU 78 Cb 0.01 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.54 3c18 h LEU 78 CO -0.04 0.89 0.12 0.40 0.09 0.00 0.00 178.44 179.90 3c18 h ILE 79 N 0.54 1.21 -0.01 1.22 2.04 -0.87 -2.76 117.51 118.87 3c18 h ILE 79 Ca 0.10 -0.73 0.00 0.00 1.00 0.00 0.00 64.86 65.23 3c18 h ILE 79 Cb 0.56 0.71 0.00 0.00 -0.74 0.00 0.00 36.82 37.35 3c18 h ILE 79 CO 0.03 0.27 -0.49 0.18 0.00 0.00 0.00 178.15 178.15 3c18 n LEU 80 N -4.30 1.78 -3.80 1.44 4.77 -0.61 -4.82 117.00 111.46 3c18 n LEU 80 Ca 0.03 -0.65 -0.28 0.00 -0.03 0.00 0.00 56.01 55.08 3c18 n LEU 80 Cb 0.21 -0.02 0.04 0.00 -2.33 0.00 0.00 43.42 41.32 3c18 n LEU 80 CO 0.39 0.34 0.15 -3.20 -1.33 0.00 0.00 177.39 173.74 3c18 n ASN 81 N -0.25 -5.24 -0.48 -1.43 5.15 0.02 -4.88 115.26 108.15 3c18 n ASN 81 Ca 0.09 -0.70 0.14 0.00 -0.60 0.00 0.00 54.58 53.51 3c18 n ASN 81 Cb 0.44 -4.29 0.51 0.00 -0.53 0.00 0.00 39.78 35.92 3c18 n ASN 81 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3c18 n ALA 82 N -4.79 2.57 -3.30 5.20 0.00 0.02 -4.66 120.51 115.55 3c18 n ALA 82 Ca 0.02 -0.45 -0.10 0.00 0.00 0.00 0.00 53.44 52.92 3c18 n ALA 82 Cb 0.54 -1.16 -0.05 0.00 0.00 0.00 0.00 19.45 18.78 3c18 n ALA 82 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 3c18 s ASN 83 N -1.94 0.06 0.49 0.00 3.84 -1.26 -5.01 114.94 111.12 3c18 s ASN 83 Ca 0.37 -1.27 0.27 0.00 0.21 0.00 0.00 52.86 52.44 3c18 s ASN 83 Cb 0.20 1.13 1.24 0.00 -0.55 0.00 0.00 41.25 43.28 3c18 s ASN 83 CO 0.33 -0.22 1.97 0.03 -2.79 0.00 0.00 177.10 176.41 3c18 h ARG 84 N 7.02 0.00 -0.28 0.43 2.47 -1.94 -2.61 114.38 119.47 3c18 h ARG 84 Ca 0.05 0.00 -0.10 0.00 -1.26 0.00 0.00 59.98 58.68 3c18 h ARG 84 Cb 1.11 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 29.42 3c18 h ARG 84 CO 0.16 0.16 -0.20 0.00 0.56 0.00 0.00 179.97 180.64 3c18 h ARG 85 N 0.00 0.63 -0.33 0.04 3.08 -2.00 -2.73 114.38 113.08 3c18 h ARG 85 Ca -0.00 -0.31 -0.02 0.00 0.07 0.00 0.00 59.98 59.73 3c18 h ARG 85 Cb 0.51 -0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.54 3c18 h ARG 85 CO 0.02 0.90 0.14 0.00 -1.07 0.00 0.00 179.97 179.96 3c18 h ALA 86 N 0.72 1.62 -0.32 0.04 0.00 -1.90 0.74 119.26 120.16 3c18 h ALA 86 Ca 0.05 -0.09 -0.10 0.00 0.00 0.00 0.00 54.91 54.78 3c18 h ALA 86 Cb 0.75 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.39 3c18 h ALA 86 CO 0.05 0.30 -0.17 0.28 0.00 0.00 0.00 179.25 179.71 3c18 h VAL 87 N 0.47 1.29 -0.37 0.00 2.07 -1.39 -1.82 116.25 116.49 3c18 h VAL 87 Ca 0.12 -1.29 -0.05 0.00 0.82 0.00 0.00 66.70 66.30 3c18 h VAL 87 Cb 0.08 1.45 -0.01 0.00 -1.52 0.00 0.00 31.29 31.29 3c18 h VAL 87 CO -0.01 0.42 0.04 -0.74 0.02 0.00 0.00 177.57 177.30 3c18 h HIS 88 N 0.44 0.67 -0.29 1.57 6.17 -1.03 -1.42 115.15 121.27 3c18 h HIS 88 Ca 0.07 -0.10 0.06 0.00 0.71 0.00 0.00 60.37 61.11 3c18 h HIS 88 Cb 0.71 -0.18 -0.06 0.00 2.52 0.00 0.00 27.41 30.39 3c18 h HIS 88 CO 0.06 0.69 -0.12 -1.49 0.71 0.00 0.00 177.93 177.78 3c18 h TRP 89 N 0.46 -0.30 -0.37 5.26 6.55 -0.64 0.23 115.95 127.15 3c18 h TRP 89 Ca 0.11 0.03 -0.07 0.00 0.95 0.00 0.00 58.89 59.91 3c18 h TRP 89 Cb 0.39 0.18 -0.01 0.00 -0.86 0.00 0.00 29.16 28.85 3c18 h TRP 89 CO 0.03 -0.19 -0.05 0.28 -1.05 0.00 0.00 178.44 177.46 3c18 h VAL 90 N -0.08 1.27 0.01 1.49 2.07 -1.23 0.29 116.25 120.08 3c18 h VAL 90 Ca 0.15 -1.09 -0.24 0.00 0.82 0.00 0.00 66.70 66.33 3c18 h VAL 90 Cb 0.30 1.24 0.01 0.00 -1.52 0.00 0.00 31.29 31.32 3c18 h VAL 90 CO -0.34 0.36 -1.01 0.77 0.02 0.00 0.00 177.57 177.37 3c18 h SER 91 N 0.49 0.66 0.00 0.57 4.64 -0.88 -3.34 113.55 115.70 3c18 h SER 91 Ca 0.10 -0.54 -0.26 0.00 -0.47 0.00 0.00 61.79 60.61 3c18 h SER 91 Cb 0.54 -0.20 -0.05 0.00 -0.31 0.00 0.00 62.40 62.38 3c18 h SER 91 CO 0.03 1.35 -2.26 -0.62 -0.87 0.00 0.00 176.83 174.45 3c18 n GLU 92 N -3.77 0.71 -0.89 4.77 -0.58 0.04 -4.99 120.64 115.92 3c18 n GLU 92 Ca -0.08 -0.06 -0.32 0.00 -0.42 0.00 0.00 57.16 56.27 3c18 n GLU 92 Cb 0.87 -1.51 0.15 0.00 -0.57 0.00 0.00 31.44 30.37 3c18 n GLU 92 CO 0.00 0.00 0.00 0.20 -0.48 0.00 0.00 177.13 176.85 3c18 s GLY 93 N -5.19 1.93 -0.18 0.62 0.00 0.10 -4.99 107.32 99.62 3c18 s GLY 93 Ca -0.09 0.74 -0.14 0.00 0.00 0.00 0.00 44.72 45.22 3c18 s GLY 93 CO 0.84 1.16 0.30 -1.59 0.00 0.00 0.00 173.10 173.81 3c18 s THR 94 N -2.38 5.29 -0.15 0.90 2.01 0.31 -4.87 115.64 116.75 3c18 s THR 94 Ca 0.70 0.54 -0.29 0.00 0.31 0.00 0.00 61.69 62.95 3c18 s THR 94 Cb -0.26 -3.63 -0.02 0.00 0.01 0.00 0.00 72.50 68.60 3c18 s THR 94 CO 0.54 0.36 1.28 -0.63 -0.69 0.00 0.00 174.62 175.49 3c18 s ILE 95 N 0.67 4.23 -0.16 1.82 1.01 -1.26 -0.79 121.20 126.73 3c18 s ILE 95 Ca 0.16 1.49 0.12 0.00 0.00 0.00 0.00 60.65 62.42 3c18 s ILE 95 Cb -0.13 -3.96 -0.23 0.00 0.01 0.00 0.00 42.46 38.14 3c18 s ILE 95 CO 0.04 -0.12 0.22 -0.38 0.00 0.00 0.00 174.94 174.70 3c18 n ILE 96 N 5.30 1.51 -3.59 2.92 2.08 0.89 -4.96 119.36 123.51 3c18 n ILE 96 Ca 0.14 -0.78 -0.13 0.00 0.56 0.00 0.00 62.75 62.54 3c18 n ILE 96 Cb 0.45 -0.90 -0.06 0.00 -0.75 0.00 0.00 39.64 38.38 3c18 n ILE 96 CO 0.00 0.00 0.00 0.12 0.56 0.00 0.00 176.55 177.23 3c18 s PHE 97 N -2.53 -0.59 0.06 1.39 5.36 -0.99 -4.96 117.98 115.72 3c18 s PHE 97 Ca -0.14 1.24 -0.24 0.00 -0.96 0.00 0.00 56.93 56.83 3c18 s PHE 97 Cb 0.07 0.37 0.06 0.00 -0.34 0.00 0.00 43.02 43.18 3c18 s PHE 97 CO 0.79 -0.41 0.57 -1.83 -1.46 0.00 0.00 175.22 172.87 3c18 s GLU 98 N -0.45 1.10 0.11 10.12 -1.05 -1.26 -0.05 118.70 127.21 3c18 s GLU 98 Ca -0.03 -0.21 0.09 0.00 -0.15 0.00 0.00 54.97 54.67 3c18 s GLU 98 Cb -0.02 0.50 -0.04 0.00 -0.44 0.00 0.00 34.13 34.13 3c18 s GLU 98 CO 0.02 -0.41 -0.18 1.03 0.95 0.00 0.00 175.26 176.68 3c18 s ARG 99 N -2.54 1.83 -1.60 -4.83 0.52 -0.45 -4.74 118.95 107.14 3c18 s ARG 99 Ca -0.05 -1.15 0.00 0.00 -0.52 0.00 0.00 55.73 54.01 3c18 s ARG 99 Cb -0.01 -2.13 0.00 0.00 0.52 0.00 0.00 34.95 33.33 3c18 s ARG 99 CO -0.02 0.49 0.00 0.09 0.02 0.00 0.00 175.30 175.87 3c18 n ASN 100 N 0.86 -4.91 -3.32 0.23 3.02 -1.26 -0.87 115.26 109.01 3c18 n ASN 100 Ca -0.15 0.19 -0.23 0.00 -0.03 0.00 0.00 54.58 54.35 3c18 n ASN 100 Cb 0.53 -4.21 0.00 0.00 -0.61 0.00 0.00 39.78 35.49 3c18 n ASN 100 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 3c18 n ASP 101 N -1.61 -4.00 -0.13 6.41 8.00 -1.26 -4.85 116.55 119.11 3c18 n ASP 101 Ca -0.19 -0.38 -0.06 0.00 0.71 0.00 0.00 54.79 54.86 3c18 n ASP 101 Cb 0.63 -3.30 0.02 0.00 -0.02 0.00 0.00 41.12 38.45 3c18 n ASP 101 CO 0.00 0.00 0.00 0.22 -0.39 0.00 0.00 177.20 177.03 3c18 h TYR 102 N -1.02 0.42 0.04 1.24 3.20 -1.24 -1.06 116.97 118.55 3c18 h TYR 102 Ca -0.44 0.02 -0.26 0.00 3.14 0.00 0.00 58.73 61.19 3c18 h TYR 102 Cb 1.30 -0.13 -0.03 0.00 1.54 0.00 0.00 36.73 39.41 3c18 h TYR 102 CO 0.65 0.23 -1.30 -0.07 -1.64 0.00 0.00 178.16 176.03 3c18 h LEU 103 N 0.46 0.14 -0.40 2.82 3.38 -1.82 -1.40 115.31 118.49 3c18 h LEU 103 Ca 0.18 -0.18 -0.01 0.00 0.09 0.00 0.00 57.88 57.95 3c18 h LEU 103 Cb 0.05 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 40.74 3c18 h LEU 103 CO -0.10 1.15 0.20 0.74 0.09 0.00 0.00 178.44 180.51 3c18 h THR 104 N 0.02 1.17 -0.10 0.22 2.02 -1.92 -1.19 112.91 113.13 3c18 h THR 104 Ca -0.14 -0.46 -0.18 0.00 0.77 0.00 0.00 66.41 66.40 3c18 h THR 104 Cb 1.90 0.74 -0.00 0.00 -1.74 0.00 0.00 68.15 69.05 3c18 h THR 104 CO 0.13 0.18 -0.71 0.44 0.37 0.00 0.00 175.52 175.93 3c18 h ASP 105 N 0.51 0.54 -0.52 4.18 3.32 -1.22 -2.90 116.42 120.33 3c18 h ASP 105 Ca 0.14 -0.35 -0.06 0.00 0.02 0.00 0.00 57.03 56.78 3c18 h ASP 105 Cb 0.10 -0.16 -0.02 0.00 0.22 0.00 0.00 39.33 39.47 3c18 h ASP 105 CO -0.02 1.09 0.09 0.25 -1.72 0.00 0.00 179.24 178.93 3c18 h LEU 106 N 0.32 0.82 -1.31 1.55 5.85 -1.00 -0.41 115.31 121.13 3c18 h LEU 106 Ca -0.03 -0.26 0.00 0.00 0.84 0.00 0.00 57.88 58.44 3c18 h LEU 106 Cb 1.29 -0.22 -0.03 0.00 0.37 0.00 0.00 40.66 42.07 3c18 h LEU 106 CO 0.13 0.87 0.43 0.11 -0.34 0.00 0.00 178.44 179.64 3c18 h LYS 107 N 0.74 0.90 -0.36 1.25 1.57 -1.15 -1.43 116.57 118.09 3c18 h LYS 107 Ca 0.16 -0.06 -0.06 0.00 -1.87 0.00 0.00 60.65 58.81 3c18 h LYS 107 Cb 0.39 -0.20 -0.01 0.00 0.08 0.00 0.00 32.23 32.49 3c18 h LYS 107 CO 0.01 0.61 -0.02 0.87 -0.57 0.00 0.00 179.45 180.35 3c18 h LYS 108 N 0.92 0.65 0.00 3.15 6.56 -1.18 -2.78 116.57 123.89 3c18 h LYS 108 Ca 0.25 -0.22 -0.03 0.00 -1.06 0.00 0.00 60.65 59.59 3c18 h LYS 108 Cb -0.08 -0.05 -0.00 0.00 -0.57 0.00 0.00 32.23 31.52 3c18 h LYS 108 CO -0.05 0.77 -0.14 1.96 -2.06 0.00 0.00 179.45 179.93 3c18 h GLN 109 N 0.46 0.00 0.00 3.15 4.20 -0.28 -2.55 115.11 120.09 3c18 h GLN 109 Ca 0.10 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.81 3c18 h GLN 109 Cb 0.49 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.27 3c18 h GLN 109 CO 0.02 0.14 0.00 -0.07 -0.67 0.00 0.00 178.83 178.25 3c18 h LEU 110 N 0.00 0.00 -0.24 1.46 3.38 -0.99 -2.34 115.31 116.57 3c18 h LEU 110 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3c18 h LEU 110 Cb 0.54 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.29 3c18 h LEU 110 CO 0.02 0.00 -0.01 0.54 0.09 0.00 0.00 178.44 179.08 3c18 n ARG 111 N -2.71 1.09 -4.38 1.13 1.74 -0.96 -4.79 116.66 107.78 3c18 n ARG 111 Ca 0.03 -0.24 -0.26 0.00 -0.77 0.00 0.00 57.85 56.61 3c18 n ARG 111 Cb 0.38 -1.49 -0.12 0.00 -1.02 0.00 0.00 32.46 30.21 3c18 n ARG 111 CO 0.00 0.00 0.00 -0.80 -1.52 0.00 0.00 177.63 175.31 3c18 s ASN 112 N -2.08 3.14 -0.44 0.55 0.01 -0.88 -5.11 114.94 110.13 3c18 s ASN 112 Ca 0.43 -0.82 0.03 0.00 -0.71 0.00 0.00 52.86 51.79 3c18 s ASN 112 Cb 0.21 -0.21 0.13 0.00 0.41 0.00 0.00 41.25 41.79 3c18 s ASN 112 CO 0.38 0.09 0.21 0.12 -1.51 0.00 0.00 177.10 176.39 3c18 s PHE 113 N -1.54 2.47 0.33 2.20 2.19 -1.26 -4.99 117.98 117.37 3c18 s PHE 113 Ca 0.16 -2.63 -0.28 0.00 0.33 0.00 0.00 56.93 54.51 3c18 s PHE 113 Cb -0.08 -2.24 -0.12 0.00 -1.31 0.00 0.00 43.02 39.27 3c18 s PHE 113 CO 0.08 -0.80 1.31 -2.30 1.83 0.00 0.00 175.22 175.34 3c18 n PRO 114 N 3.62 2.14 -0.30 10.12 -0.02 -1.26 -4.80 135.00 144.49 3c18 n PRO 114 Ca 0.06 0.75 0.04 0.00 -2.02 0.00 0.00 63.50 62.33 3c18 n PRO 114 Cb 0.35 -2.34 0.24 0.00 -0.02 0.00 0.00 33.50 31.73 3c18 n PRO 114 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 3c18 h GLU 115 N 2.74 1.00 -0.66 -0.52 4.39 -1.99 -0.52 114.58 119.03 3c18 h GLU 115 Ca -0.46 -0.06 -0.08 0.00 0.34 0.00 0.00 59.36 59.10 3c18 h GLU 115 Cb 1.28 -0.23 -0.03 0.00 -0.10 0.00 0.00 28.75 29.68 3c18 h GLU 115 CO 0.64 0.66 0.11 0.00 -1.16 0.00 0.00 179.01 179.26 3c18 h THR 116 N 1.03 1.26 -0.35 1.13 1.03 -1.99 0.27 112.91 115.30 3c18 h THR 116 Ca 0.39 -1.03 -0.08 0.00 -0.01 0.00 0.00 66.41 65.68 3c18 h THR 116 Cb 0.19 0.64 -0.01 0.00 -1.07 0.00 0.00 68.15 67.91 3c18 h THR 116 CO -0.14 0.39 -0.08 -0.33 -0.01 0.00 0.00 175.52 175.34 3c18 h GLU 117 N 1.02 0.67 -0.49 0.00 5.08 -1.67 -1.90 114.58 117.27 3c18 h GLU 117 Ca 0.20 -0.25 -0.05 0.00 -1.00 0.00 0.00 59.36 58.26 3c18 h GLU 117 Cb 0.44 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.63 3c18 h GLU 117 CO 0.01 0.83 0.12 -0.09 -1.00 0.00 0.00 179.01 178.88 3c18 h ARG 118 N 0.45 0.79 -0.28 2.33 2.43 -0.53 -1.44 114.38 118.13 3c18 h ARG 118 Ca 0.09 -0.19 -0.13 0.00 -0.81 0.00 0.00 59.98 58.94 3c18 h ARG 118 Cb 0.58 -0.10 -0.01 0.00 -0.42 0.00 0.00 29.97 30.02 3c18 h ARG 118 CO 0.03 0.77 -0.34 0.00 -1.51 0.00 0.00 179.97 178.92 3c18 h LEU 120 N 0.53 0.67 -2.13 0.00 5.85 -1.15 -1.93 115.31 117.15 3c18 h LEU 120 Ca 0.06 -0.20 0.00 0.00 0.84 0.00 0.00 57.88 58.58 3c18 h LEU 120 Cb 0.84 -0.17 0.00 0.00 0.37 0.00 0.00 40.66 41.70 3c18 h LEU 120 CO 0.07 0.68 0.00 0.00 -0.34 0.00 0.00 178.44 178.86 3c18 n GLN 121 N -4.55 0.15 0.00 1.25 6.02 -0.56 -1.78 117.38 117.91 3c18 n GLN 121 Ca 0.01 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.00 3c18 n GLN 121 Cb 0.18 -1.43 0.00 0.00 1.02 0.00 0.00 30.24 30.01 3c18 n GLN 121 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 177.06 176.48 3c18 n SER 123 N 0.99 0.00 -0.18 1.08 7.64 -0.72 -1.68 113.62 120.75 3c18 n SER 123 Ca 0.00 0.00 -0.10 0.00 1.01 0.00 0.00 58.87 59.78 3c18 n SER 123 Cb 0.07 0.00 0.02 0.00 -1.01 0.00 0.00 64.21 63.29 3c18 n SER 123 CO 0.00 0.00 0.00 -0.07 -3.01 0.00 0.00 175.04 171.96 3c18 h LEU 124 N 0.00 1.02 -0.03 -3.43 3.38 -1.63 -0.02 115.31 114.61 3c18 h LEU 124 Ca 0.00 -0.35 -0.01 0.00 0.09 0.00 0.00 57.88 57.61 3c18 h LEU 124 Cb 0.00 -0.28 -0.00 0.00 0.09 0.00 0.00 40.66 40.47 3c18 h LEU 124 CO 0.00 1.15 -0.04 -1.28 0.09 0.00 0.00 178.44 178.36 3c18 h SER 125 N 0.90 0.08 -0.90 -0.43 0.87 -1.60 -2.74 113.55 109.73 3c18 h SER 125 Ca 0.13 -0.53 0.12 0.00 -1.23 0.00 0.00 61.79 60.28 3c18 h SER 125 Cb 0.70 -0.02 -0.08 0.00 -0.44 0.00 0.00 62.40 62.56 3c18 h SER 125 CO 0.05 0.60 0.53 0.15 -0.53 0.00 0.00 176.83 177.63 3c18 h PHE 126 N -0.44 0.95 -0.65 2.24 3.57 -1.80 0.34 116.94 121.14 3c18 h PHE 126 Ca 0.00 0.03 -0.05 0.00 3.53 0.00 0.00 57.97 61.48 3c18 h PHE 126 Cb 0.58 -0.29 -0.03 0.00 2.79 0.00 0.00 35.95 39.00 3c18 h PHE 126 CO 0.11 0.35 0.21 0.00 -2.23 0.00 0.00 178.31 176.74 3c18 h ALA 127 N 1.51 1.13 -0.18 2.41 0.00 -0.91 -0.42 119.26 122.81 3c18 h ALA 127 Ca 0.45 -0.20 -0.20 0.00 0.00 0.00 0.00 54.91 54.96 3c18 h ALA 127 Cb 0.49 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.03 3c18 h ALA 127 CO -0.28 0.60 -0.69 0.87 0.00 0.00 0.00 179.25 179.74 3c18 h LYS 128 N 0.96 0.72 -0.43 0.00 6.56 -0.94 -2.39 116.57 121.05 3c18 h LYS 128 Ca 0.21 -0.54 0.00 0.00 -1.06 0.00 0.00 60.65 59.26 3c18 h LYS 128 Cb 0.27 0.10 -0.02 0.00 -0.57 0.00 0.00 32.23 32.00 3c18 h LYS 128 CO -0.01 1.16 0.27 1.25 -2.06 0.00 0.00 179.45 180.06 3c18 h LEU 129 N 0.52 0.51 -0.35 2.94 5.85 -0.63 -1.05 115.31 123.10 3c18 h LEU 129 Ca -0.03 -0.04 -0.00 0.00 0.84 0.00 0.00 57.88 58.65 3c18 h LEU 129 Cb 1.30 -0.13 -0.02 0.00 0.37 0.00 0.00 40.66 42.18 3c18 h LEU 129 CO 0.14 0.40 0.20 0.25 -0.34 0.00 0.00 178.44 179.09 3c18 h LEU 130 N 0.57 0.42 -0.36 2.25 5.85 -0.98 0.40 115.31 123.46 3c18 h LEU 130 Ca 0.16 -0.07 -0.08 0.00 0.84 0.00 0.00 57.88 58.73 3c18 h LEU 130 Cb -0.03 -0.11 -0.01 0.00 0.37 0.00 0.00 40.66 40.88 3c18 h LEU 130 CO -0.03 0.37 -0.09 0.03 -0.34 0.00 0.00 178.44 178.38 3c18 h ARG 131 N 0.44 0.70 -0.56 1.25 -0.00 -1.25 -1.11 114.38 113.87 3c18 h ARG 131 Ca 0.12 -0.27 -0.08 0.00 -0.50 0.00 0.00 59.98 59.25 3c18 h ARG 131 Cb 0.03 -0.04 -0.02 0.00 0.00 0.00 0.00 29.97 29.94 3c18 h ARG 131 CO -0.02 0.86 0.02 0.00 0.00 0.00 0.00 179.97 180.83 3c18 h ARG 132 N 0.50 0.97 -0.37 0.04 2.47 -1.06 -1.79 114.38 115.14 3c18 h ARG 132 Ca 0.09 -0.30 0.01 0.00 -1.26 0.00 0.00 59.98 58.52 3c18 h ARG 132 Cb 0.60 -0.09 -0.02 0.00 -1.65 0.00 0.00 29.97 28.81 3c18 h ARG 132 CO 0.04 0.96 0.23 0.35 0.56 0.00 0.00 179.97 182.12 3c18 h PHE 133 N 0.86 0.44 -0.63 3.04 3.57 -0.70 -0.73 116.94 122.79 3c18 h PHE 133 Ca 0.16 0.01 -0.04 0.00 3.53 0.00 0.00 57.97 61.63 3c18 h PHE 133 Cb 0.51 -0.15 -0.03 0.00 2.79 0.00 0.00 35.95 39.08 3c18 h PHE 133 CO 0.04 0.27 0.22 1.96 -2.23 0.00 0.00 178.31 178.57 3c18 h GLN 134 N 0.48 0.97 -0.40 1.11 4.20 -1.07 -0.27 115.11 120.13 3c18 h GLN 134 Ca 0.14 -0.20 -0.12 0.00 0.06 0.00 0.00 58.65 58.53 3c18 h GLN 134 Cb -0.03 -0.15 -0.01 0.00 0.30 0.00 0.00 27.48 27.59 3c18 h GLN 134 CO -0.05 0.84 -0.23 -0.44 -0.67 0.00 0.00 178.83 178.29 3c18 h ASP 135 N 0.90 0.88 -0.28 1.46 5.19 -1.15 -1.30 116.42 122.13 3c18 h ASP 135 Ca 0.21 -0.42 -0.07 0.00 -0.62 0.00 0.00 57.03 56.13 3c18 h ASP 135 Cb 0.26 -0.25 -0.02 0.00 0.18 0.00 0.00 39.33 39.50 3c18 h ASP 135 CO -0.01 1.11 -0.05 1.23 -3.12 0.00 0.00 179.24 178.39 3c18 h GLY 136 N 0.66 0.71 0.65 2.75 0.00 -0.95 -0.37 103.07 106.52 3c18 h GLY 136 Ca 0.08 -0.48 -0.00 0.00 0.00 0.00 0.00 47.33 46.93 3c18 h GLY 136 CO 0.06 0.44 -0.00 -0.09 0.00 0.00 0.00 176.54 176.95 3c18 h ARG 137 N 0.61 0.03 -0.64 4.80 2.43 -0.79 -0.97 114.38 119.85 3c18 h ARG 137 Ca 0.12 -0.01 -0.02 0.00 -0.81 0.00 0.00 59.98 59.25 3c18 h ARG 137 Cb 0.47 -0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 29.98 3c18 h ARG 137 CO 0.02 0.39 0.31 -0.97 -1.51 0.00 0.00 179.97 178.21 3c18 h ASN 138 N -0.33 0.84 -0.53 -3.80 -1.24 -1.11 -1.53 115.58 107.87 3c18 h ASN 138 Ca 0.00 -0.13 -0.09 0.00 0.71 0.00 0.00 56.30 56.80 3c18 h ASN 138 Cb 0.38 -0.21 -0.02 0.00 0.73 0.00 0.00 38.32 39.19 3c18 h ASN 138 CO 0.00 0.73 -0.01 -0.07 -1.29 0.00 0.00 177.43 176.80 3c18 h LEU 139 N 0.88 0.93 -1.22 0.34 3.38 -1.02 -2.76 115.31 115.85 3c18 h LEU 139 Ca 0.22 -0.31 -0.06 0.00 0.09 0.00 0.00 57.88 57.82 3c18 h LEU 139 Cb 0.11 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.60 3c18 h LEU 139 CO -0.03 1.01 -0.07 0.15 0.09 0.00 0.00 178.44 179.59 3c18 h PHE 140 N 0.82 0.47 0.00 1.13 3.57 -0.83 -1.46 116.94 120.64 3c18 h PHE 140 Ca 0.15 -0.06 -0.07 0.00 3.53 0.00 0.00 57.97 61.52 3c18 h PHE 140 Cb 0.54 -0.13 -0.01 0.00 2.79 0.00 0.00 35.95 39.14 3c18 h PHE 140 CO 0.04 0.52 -0.34 0.77 -2.23 0.00 0.00 178.31 177.07 3c18 h SER 141 N 0.43 0.00 -0.52 0.41 0.02 -1.01 -2.15 113.55 110.72 3c18 h SER 141 Ca 0.09 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.04 3c18 h SER 141 Cb 0.40 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.94 3c18 h SER 141 CO 0.02 0.34 0.00 0.54 -1.14 0.00 0.00 176.83 176.59 3c18 n ARG 142 N -3.98 2.21 -1.38 3.45 3.00 -0.65 -4.90 116.66 114.41 3c18 n ARG 142 Ca -0.02 -1.88 -0.13 0.00 -0.01 0.00 0.00 57.85 55.81 3c18 n ARG 142 Cb 0.40 -1.41 -0.06 0.00 0.00 0.00 0.00 32.46 31.39 3c18 n ARG 142 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 3c18 n GLY 143 N 1.33 1.37 3.28 -0.13 0.00 -0.81 -4.94 105.19 105.30 3c18 n GLY 143 Ca 0.18 -0.31 -0.44 0.00 0.00 0.00 0.00 46.02 45.44 3c18 n GLY 143 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3c18 n ASN 144 N -0.36 5.28 0.04 1.61 5.03 -0.64 -4.88 115.26 121.34 3c18 n ASN 144 Ca -0.13 -3.04 -0.08 0.00 0.87 0.00 0.00 54.58 52.20 3c18 n ASN 144 Cb 0.46 -1.52 0.08 0.00 -1.02 0.00 0.00 39.78 37.78 3c18 n ASN 144 CO 0.00 0.00 0.00 1.88 -1.83 0.00 0.00 177.26 177.31 3c18 h TYR 145 N 6.66 0.52 -0.12 3.10 0.05 -1.91 -0.36 116.97 124.90 3c18 h TYR 145 Ca 0.32 -0.20 -0.17 0.00 0.05 0.00 0.00 58.73 58.74 3c18 h TYR 145 Cb 0.80 -0.09 -0.01 0.00 1.01 0.00 0.00 36.73 38.44 3c18 h TYR 145 CO 1.10 0.90 -0.62 1.88 -1.05 0.00 0.00 178.16 180.37 3c18 h TYR 146 N 0.30 0.57 0.05 4.88 -1.99 -1.97 -0.75 116.97 118.05 3c18 h TYR 146 Ca -0.00 -0.22 -0.25 0.00 2.00 0.00 0.00 58.73 60.26 3c18 h TYR 146 Cb 1.13 -0.10 -0.02 0.00 2.00 0.00 0.00 36.73 39.74 3c18 h TYR 146 CO 0.04 0.95 -1.22 -0.44 -0.00 0.00 0.00 178.16 177.48 3c18 h ASP 147 N 0.32 0.16 -0.63 3.88 3.32 -1.95 -3.17 116.42 118.35 3c18 h ASP 147 Ca -0.01 -0.19 -0.09 0.00 0.02 0.00 0.00 57.03 56.77 3c18 h ASP 147 Cb 1.17 -0.05 -0.02 0.00 0.22 0.00 0.00 39.33 40.64 3c18 h ASP 147 CO 0.11 1.15 0.05 0.00 -1.72 0.00 0.00 179.24 178.83 3c18 h ALA 148 N 0.83 0.88 0.00 3.45 0.00 -0.94 -2.69 119.26 120.78 3c18 h ALA 148 Ca -0.11 -0.30 -0.02 0.00 0.00 0.00 0.00 54.91 54.49 3c18 h ALA 148 Cb 1.88 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 19.43 3c18 h ALA 148 CO 0.15 0.67 -0.10 -0.92 0.00 0.00 0.00 179.25 179.05 3c18 h TYR 149 N 1.01 0.00 -0.32 0.00 5.03 -1.13 -0.15 116.97 121.41 3c18 h TYR 149 Ca 0.19 0.00 -0.09 0.00 2.58 0.00 0.00 58.73 61.40 3c18 h TYR 149 Cb 0.51 0.00 -0.01 0.00 1.55 0.00 0.00 36.73 38.78 3c18 h TYR 149 CO 0.04 0.10 -0.17 1.15 -1.32 0.00 0.00 178.16 177.95 3c18 h THR 150 N 0.00 1.29 0.14 1.81 2.02 -1.45 -1.29 112.91 115.43 3c18 h THR 150 Ca -0.00 -1.28 -0.28 0.00 0.77 0.00 0.00 66.41 65.62 3c18 h THR 150 Cb 0.17 1.44 0.01 0.00 -1.74 0.00 0.00 68.15 68.04 3c18 h THR 150 CO 0.01 0.41 -1.27 0.45 0.37 0.00 0.00 175.52 175.49 3c18 h HIS 151 N 0.43 0.56 -0.47 3.16 3.86 -1.28 -2.28 115.15 119.13 3c18 h HIS 151 Ca 0.07 -0.41 -0.06 0.00 -1.16 0.00 0.00 60.37 58.81 3c18 h HIS 151 Cb 0.70 -0.02 -0.02 0.00 1.06 0.00 0.00 27.41 29.13 3c18 h HIS 151 CO 0.06 1.32 0.03 0.28 0.86 0.00 0.00 177.93 180.48 3c18 h VAL 152 N 0.08 1.23 -0.17 2.45 2.07 -1.04 -0.25 116.25 120.62 3c18 h VAL 152 Ca -0.15 -0.91 -0.04 0.00 0.82 0.00 0.00 66.70 66.42 3c18 h VAL 152 Cb 2.00 0.84 -0.00 0.00 -1.52 0.00 0.00 31.29 32.60 3c18 h VAL 152 CO 0.21 0.32 -0.06 -0.74 0.02 0.00 0.00 177.57 177.32 3c18 h HIS 153 N 0.71 0.40 0.00 1.57 6.17 -1.15 -1.83 115.15 121.02 3c18 h HIS 153 Ca 0.15 -0.09 -0.08 0.00 0.71 0.00 0.00 60.37 61.06 3c18 h HIS 153 Cb 0.38 -0.09 -0.01 0.00 2.52 0.00 0.00 27.41 30.21 3c18 h HIS 153 CO 0.02 0.64 -0.37 1.25 0.71 0.00 0.00 177.93 180.18 3c18 h HIS 154 N 0.04 0.00 -0.49 5.26 2.76 -1.24 -2.53 115.15 118.95 3c18 h HIS 154 Ca 0.04 0.00 -0.05 0.00 -2.20 0.00 0.00 60.37 58.16 3c18 h HIS 154 Cb 0.52 0.00 -0.02 0.00 1.55 0.00 0.00 27.41 29.46 3c18 h HIS 154 CO 0.06 0.37 0.10 0.00 -1.30 0.00 0.00 177.93 177.16 3c18 h ALA 155 N 1.63 0.65 -0.33 5.26 0.00 -0.64 -2.07 119.26 123.76 3c18 h ALA 155 Ca -0.00 -0.22 -0.05 0.00 0.00 0.00 0.00 54.91 54.63 3c18 h ALA 155 Cb 0.70 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.28 3c18 h ALA 155 CO 0.05 0.36 -0.02 -0.07 0.00 0.00 0.00 179.25 179.57 3c18 h LEU 156 N 0.68 0.49 -0.44 0.00 3.38 -0.94 -1.77 115.31 116.70 3c18 h LEU 156 Ca 0.15 -0.10 -0.07 0.00 0.09 0.00 0.00 57.88 57.96 3c18 h LEU 156 Cb 0.36 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 40.97 3c18 h LEU 156 CO 0.01 0.57 0.01 -0.74 0.09 0.00 0.00 178.44 178.38 3c18 h HIS 157 N 0.50 0.84 -0.12 1.13 2.76 -1.10 -0.19 115.15 118.95 3c18 h HIS 157 Ca 0.10 -0.14 -0.09 0.00 -2.20 0.00 0.00 60.37 58.04 3c18 h HIS 157 Cb 0.35 -0.22 -0.01 0.00 1.55 0.00 0.00 27.41 29.08 3c18 h HIS 157 CO 0.01 0.82 -0.33 0.45 -1.30 0.00 0.00 177.93 177.58 3c18 h HIS 158 N 0.61 0.27 -0.23 5.26 3.86 -1.05 -1.38 115.15 122.50 3c18 h HIS 158 Ca 0.13 -0.06 -0.14 0.00 -1.16 0.00 0.00 60.37 59.14 3c18 h HIS 158 Cb 0.48 -0.07 -0.01 0.00 1.06 0.00 0.00 27.41 28.87 3c18 h HIS 158 CO 0.04 0.55 -0.43 1.25 0.86 0.00 0.00 177.93 180.20 3c18 h LEU 159 N 0.21 0.61 -0.30 2.43 5.85 -0.89 0.98 115.31 124.19 3c18 h LEU 159 Ca 0.03 -0.28 -0.03 0.00 0.84 0.00 0.00 57.88 58.43 3c18 h LEU 159 Cb 0.70 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 41.54 3c18 h LEU 159 CO 0.05 0.96 0.06 0.00 -0.34 0.00 0.00 178.44 179.17 3c18 h ALA 160 N 1.07 0.40 -0.51 1.25 0.00 -0.60 -1.48 119.26 119.38 3c18 h ALA 160 Ca 0.03 -0.18 -0.03 0.00 0.00 0.00 0.00 54.91 54.73 3c18 h ALA 160 Cb 0.94 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.59 3c18 h ALA 160 CO 0.08 0.08 0.19 0.00 0.00 0.00 0.00 179.25 179.60 3c18 h ARG 161 N 0.32 0.77 -0.56 0.00 3.08 -0.86 -2.29 114.38 114.85 3c18 h ARG 161 Ca 0.09 -0.15 -0.01 0.00 0.07 0.00 0.00 59.98 59.98 3c18 h ARG 161 Cb 0.32 -0.12 -0.03 0.00 0.08 0.00 0.00 29.97 30.22 3c18 h ARG 161 CO 0.00 0.69 0.29 1.25 -1.07 0.00 0.00 179.97 181.13 3c18 h LEU 162 N 0.69 0.69 -0.84 3.04 5.85 -0.70 -1.82 115.31 122.21 3c18 h LEU 162 Ca 0.17 -0.06 -0.12 0.00 0.84 0.00 0.00 57.88 58.71 3c18 h LEU 162 Cb 0.22 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 41.06 3c18 h LEU 162 CO -0.01 0.58 -0.57 0.28 -0.34 0.00 0.00 178.44 178.37 3c18 h SER 163 N 0.78 0.02 -0.09 1.25 0.02 -0.73 0.45 113.55 115.25 3c18 h SER 163 Ca 0.20 -0.01 -0.14 0.00 -0.84 0.00 0.00 61.79 61.00 3c18 h SER 163 Cb 0.05 -0.00 0.01 0.00 0.14 0.00 0.00 62.40 62.59 3c18 h SER 163 CO -0.03 0.59 -0.47 0.58 -1.14 0.00 0.00 176.83 176.36 3c18 h VAL 164 N 0.01 1.38 -0.95 2.27 2.07 -0.99 -3.02 116.25 117.03 3c18 h VAL 164 Ca -0.01 -1.82 0.01 0.00 0.82 0.00 0.00 66.70 65.71 3c18 h VAL 164 Cb 1.02 2.24 -0.05 0.00 -1.52 0.00 0.00 31.29 32.98 3c18 h VAL 164 CO 0.08 0.54 0.62 -0.07 0.02 0.00 0.00 177.57 178.76 3c18 h LEU 165 N 0.06 1.07 -2.03 2.57 3.38 -1.00 -1.74 115.31 117.61 3c18 h LEU 165 Ca -0.03 -0.02 -0.01 0.00 0.09 0.00 0.00 57.88 57.91 3c18 h LEU 165 Cb 1.12 -0.26 -0.00 0.00 0.09 0.00 0.00 40.66 41.61 3c18 h LEU 165 CO 0.10 0.77 -0.04 -0.33 0.09 0.00 0.00 178.44 179.03 3c18 h GLU 166 N 1.26 0.00 -0.16 1.13 5.08 -0.84 0.26 114.58 121.32 3c18 h GLU 166 Ca 0.35 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.71 3c18 h GLU 166 Cb -0.12 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.13 3c18 h GLU 166 CO -0.08 0.04 0.00 1.63 -1.00 0.00 0.00 179.01 179.59 3c18 n LYS 167 N -4.32 1.95 -0.16 2.33 4.01 -0.70 -4.91 118.16 116.36 3c18 n LYS 167 Ca -0.03 -1.41 0.00 0.00 -0.51 0.00 0.00 58.31 56.36 3c18 n LYS 167 Cb 0.12 -1.45 0.00 0.00 -0.51 0.00 0.00 35.03 33.19 3c18 n LYS 167 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 3c18 n GLY 168 N 1.24 0.91 3.57 0.72 0.00 0.08 -5.08 105.19 106.64 3c18 n GLY 168 Ca 0.17 -0.05 -0.28 0.00 0.00 0.00 0.00 46.02 45.85 3c18 n GLY 168 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3c18 s ALA 169 N -2.00 2.93 0.14 4.61 0.00 -0.92 -4.97 121.76 121.55 3c18 s ALA 169 Ca 0.00 -1.36 -0.30 0.00 0.00 0.00 0.00 51.96 50.30 3c18 s ALA 169 Cb 0.00 -0.80 -0.07 0.00 0.00 0.00 0.00 23.12 22.25 3c18 s ALA 169 CO 0.00 0.55 1.12 -1.01 0.00 0.00 0.00 175.76 176.42 3c18 s HIS 170 N -1.44 3.56 0.23 0.00 0.09 -1.26 -3.38 115.29 113.09 3c18 s HIS 170 Ca 0.23 1.54 -0.30 0.00 -0.00 0.00 0.00 55.06 56.53 3c18 s HIS 170 Cb -0.10 -3.30 -0.09 0.00 -0.00 0.00 0.00 32.58 29.09 3c18 s HIS 170 CO 0.14 -0.73 1.27 -2.14 -0.00 0.00 0.00 174.74 173.28 3c18 s PRO 171 N 0.02 4.43 0.44 8.40 0.02 -1.26 -4.97 135.00 142.08 3c18 s PRO 171 Ca 0.52 2.02 0.04 0.00 0.02 0.00 0.00 61.00 63.60 3c18 s PRO 171 Cb -0.29 -3.18 0.04 0.00 0.02 0.00 0.00 34.50 31.09 3c18 s PRO 171 CO 0.33 -0.16 0.32 0.39 -0.33 0.00 0.00 177.00 177.55 3c18 n GLU 172 N 2.11 0.85 0.11 5.54 1.02 -1.26 -5.03 120.64 123.97 3c18 n GLU 172 Ca 0.04 -2.75 -0.01 0.00 -0.02 0.00 0.00 57.16 54.42 3c18 n GLU 172 Cb 0.43 0.30 0.25 0.00 -0.02 0.00 0.00 31.44 32.40 3c18 n GLU 172 CO 0.00 0.00 0.00 -0.24 1.18 0.00 0.00 177.13 178.07 3c18 h VAL 173 N 0.64 1.30 -2.75 2.62 3.04 -2.02 -3.29 116.25 115.80 3c18 h VAL 173 Ca -0.28 -1.48 -0.75 0.00 -1.01 0.00 0.00 66.70 63.18 3c18 h VAL 173 Cb 1.01 1.68 -0.21 0.00 -2.01 0.00 0.00 31.29 31.76 3c18 h VAL 173 CO 0.44 0.44 0.88 -0.69 -1.01 0.00 0.00 177.57 177.63 3c18 s VAL 174 N -4.15 5.28 -0.14 1.51 1.01 -1.26 -4.78 120.40 117.87 3c18 s VAL 174 Ca -0.04 -2.61 0.17 0.00 0.00 0.00 0.00 61.98 59.50 3c18 s VAL 174 Cb 0.14 -4.76 -0.24 0.00 0.00 0.00 0.00 36.38 31.51 3c18 s VAL 174 CO 0.76 -1.42 0.32 0.55 0.00 0.00 0.00 175.10 175.31 3c18 n VAL 175 N 4.24 1.24 0.20 2.92 3.14 -1.24 -3.67 118.33 125.16 3c18 n VAL 175 Ca 0.28 -0.79 0.08 0.00 -2.96 0.00 0.00 64.34 60.96 3c18 n VAL 175 Cb 0.44 -0.54 0.37 0.00 -1.06 0.00 0.00 33.84 33.04 3c18 n VAL 175 CO 0.00 0.00 0.00 -0.50 -6.46 0.00 0.00 176.83 169.87 3c18 h TRP 176 N 0.00 0.00 0.12 1.45 4.06 -1.92 -0.49 115.95 119.17 3c18 h TRP 176 Ca -0.39 0.00 -0.28 0.00 2.06 0.00 0.00 58.89 60.28 3c18 h TRP 176 Cb 1.98 0.00 0.02 0.00 -1.00 0.00 0.00 29.16 30.16 3c18 h TRP 176 CO 0.00 0.28 -1.23 0.93 -3.56 0.00 0.00 178.44 174.87 3c18 h GLU 177 N 0.00 0.45 -0.04 0.49 5.08 -1.97 -2.58 114.58 116.01 3c18 h GLU 177 Ca -0.00 -0.65 -0.00 0.00 -1.00 0.00 0.00 59.36 57.71 3c18 h GLU 177 Cb 0.87 0.22 -0.00 0.00 0.50 0.00 0.00 28.75 30.34 3c18 h GLU 177 CO 0.04 1.28 0.02 1.96 -1.00 0.00 0.00 179.01 181.31 3c18 h GLN 178 N 0.18 0.05 0.00 2.33 4.20 -1.48 -2.98 115.11 117.40 3c18 h GLN 178 Ca -0.16 -0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.54 3c18 h GLN 178 Cb 1.91 -0.01 0.00 0.00 0.30 0.00 0.00 27.48 29.68 3c18 h GLN 178 CO 0.22 0.10 0.00 0.00 -0.67 0.00 0.00 178.83 178.48 3c18 n ALA 179 N -2.14 2.20 0.30 3.87 0.00 -0.25 -2.28 120.51 122.21 3c18 n ALA 179 Ca -0.07 -0.08 0.18 0.00 0.00 0.00 0.00 53.44 53.48 3c18 n ALA 179 Cb 0.06 -1.43 0.96 0.00 0.00 0.00 0.00 19.45 19.04 3c18 n ALA 179 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 3c18 h ARG 180 N 0.00 0.00 0.00 0.00 2.43 -1.29 -0.79 114.38 114.73 3c18 h ARG 180 Ca 0.00 0.00 -0.15 0.00 -0.81 0.00 0.00 59.98 59.02 3c18 h ARG 180 Cb 0.48 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 30.00 3c18 h ARG 180 CO 0.00 0.03 -1.40 1.28 -1.51 0.00 0.00 179.97 178.37 3c18 n LEU 181 N -3.31 0.80 0.09 3.80 4.77 -1.17 -4.11 117.00 117.86 3c18 n LEU 181 Ca -0.02 0.13 0.21 0.00 -0.03 0.00 0.00 56.01 56.30 3c18 n LEU 181 Cb 0.16 -0.32 0.74 0.00 -2.33 0.00 0.00 43.42 41.67 3c18 n LEU 181 CO 0.25 0.11 1.18 0.44 -1.33 0.00 0.00 177.39 178.04 3c18 h ASP 182 N -0.36 0.00 -0.60 -1.43 5.19 -1.49 -3.36 116.42 114.38 3c18 h ASP 182 Ca -0.22 0.00 -0.06 0.00 -0.62 0.00 0.00 57.03 56.13 3c18 h ASP 182 Cb 1.11 0.00 -0.16 0.00 0.18 0.00 0.00 39.33 40.46 3c18 h ASP 182 CO -0.13 0.00 -0.30 -0.62 -3.12 0.00 0.00 179.24 175.06 3c18 s ASP 183 N -5.19 -0.87 0.57 6.45 -1.08 -0.30 -4.90 116.67 111.33 3c18 s ASP 183 Ca -0.04 -0.97 0.26 0.00 -0.52 0.00 0.00 52.55 51.28 3c18 s ASP 183 Cb 0.15 1.14 1.59 0.00 -1.46 0.00 0.00 42.92 44.34 3c18 s ASP 183 CO 0.54 -0.04 2.15 -0.65 0.52 0.00 0.00 175.17 177.69 3c18 h PRO 184 N 4.80 0.00 -0.48 4.34 0.11 -1.71 -1.75 132.00 137.31 3c18 h PRO 184 Ca 0.02 0.00 -0.12 0.00 0.11 0.00 0.00 66.00 66.02 3c18 h PRO 184 Cb 1.15 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.24 3c18 h PRO 184 CO -0.04 0.00 -0.17 -0.44 -0.21 0.00 0.00 178.00 177.14 3c18 h ASP 185 N 0.00 0.95 -0.15 -2.05 5.19 -1.92 -1.85 116.42 116.60 3c18 h ASP 185 Ca 0.05 -0.34 -0.20 0.00 -0.62 0.00 0.00 57.03 55.93 3c18 h ASP 185 Cb 0.27 -0.26 0.01 0.00 0.18 0.00 0.00 39.33 39.53 3c18 h ASP 185 CO -0.00 1.10 -0.70 0.58 -3.12 0.00 0.00 179.24 177.11 3c18 h VAL 186 N 0.83 1.30 -0.83 -1.35 2.07 -1.66 -2.57 116.25 114.03 3c18 h VAL 186 Ca 0.12 -1.92 0.04 0.00 0.82 0.00 0.00 66.70 65.76 3c18 h VAL 186 Cb 0.72 2.01 -0.05 0.00 -1.52 0.00 0.00 31.29 32.45 3c18 h VAL 186 CO 0.06 0.60 0.52 0.22 0.02 0.00 0.00 177.57 178.99 3c18 h TYR 187 N 0.45 0.98 -0.38 1.57 3.20 -1.39 -2.79 116.97 118.61 3c18 h TYR 187 Ca -0.04 0.03 -0.15 0.00 3.14 0.00 0.00 58.73 61.70 3c18 h TYR 187 Cb 1.33 -0.32 -0.01 0.00 1.54 0.00 0.00 36.73 39.27 3c18 h TYR 187 CO 0.09 0.54 -0.36 -0.22 -1.64 0.00 0.00 178.16 176.58 3c18 h LYS 188 N 1.00 0.88 -0.92 1.82 1.63 -1.18 -0.87 116.57 118.93 3c18 h LYS 188 Ca 0.34 -0.44 0.07 0.00 -0.85 0.00 0.00 60.65 59.76 3c18 h LYS 188 Cb 0.06 0.01 -0.06 0.00 -0.60 0.00 0.00 32.23 31.63 3c18 h LYS 188 CO -0.13 1.09 0.58 -0.07 -3.45 0.00 0.00 179.45 177.47 3c18 h LEU 189 N 0.73 0.92 -0.20 5.20 3.38 -1.28 -0.33 115.31 123.72 3c18 h LEU 189 Ca 0.07 0.02 -0.07 0.00 0.09 0.00 0.00 57.88 57.98 3c18 h LEU 189 Cb 0.93 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 41.50 3c18 h LEU 189 CO 0.09 0.58 -0.15 0.22 0.09 0.00 0.00 178.44 179.27 3c18 h TYR 190 N 1.05 0.52 -0.94 1.13 3.20 -1.15 -2.23 116.97 118.56 3c18 h TYR 190 Ca 0.40 -0.15 0.08 0.00 3.14 0.00 0.00 58.73 62.20 3c18 h TYR 190 Cb 0.18 -0.12 -0.07 0.00 1.54 0.00 0.00 36.73 38.27 3c18 h TYR 190 CO -0.02 0.78 0.59 0.93 -1.64 0.00 0.00 178.16 178.80 3c18 h GLU 191 N 0.12 1.01 -0.30 1.82 5.08 -0.66 -2.33 114.58 119.33 3c18 h GLU 191 Ca 0.04 -0.06 -0.13 0.00 -1.00 0.00 0.00 59.36 58.21 3c18 h GLU 191 Cb 0.66 -0.23 -0.00 0.00 0.50 0.00 0.00 28.75 29.68 3c18 h GLU 191 CO 0.04 0.67 -0.31 1.96 -1.00 0.00 0.00 179.01 180.37 3c18 h GLN 192 N 1.04 0.74 -0.15 2.33 1.08 -0.95 -0.30 115.11 118.91 3c18 h GLN 192 Ca 0.42 -0.40 -0.01 0.00 -1.45 0.00 0.00 58.65 57.21 3c18 h GLN 192 Cb 0.24 0.02 -0.01 0.00 -0.05 0.00 0.00 27.48 27.68 3c18 h GLN 192 CO -0.20 1.02 0.02 1.25 -0.95 0.00 0.00 178.83 179.97 3c18 h LEU 193 N 0.49 0.18 0.10 1.46 5.85 -0.94 -1.04 115.31 121.41 3c18 h LEU 193 Ca 0.05 -0.01 -0.28 0.00 0.84 0.00 0.00 57.88 58.47 3c18 h LEU 193 Cb 0.89 -0.05 -0.01 0.00 0.37 0.00 0.00 40.66 41.86 3c18 h LEU 193 CO 0.08 0.20 -1.46 -0.07 -0.34 0.00 0.00 178.44 176.85 3c18 h LEU 194 N 0.20 0.33 -0.22 2.25 4.07 -1.27 -3.42 115.31 117.25 3c18 h LEU 194 Ca 0.05 -0.82 0.00 0.00 0.08 0.00 0.00 57.88 57.19 3c18 h LEU 194 Cb 0.11 -0.11 0.00 0.00 1.08 0.00 0.00 40.66 41.74 3c18 h LEU 194 CO -0.00 1.63 -0.09 0.18 -1.08 0.00 0.00 178.44 179.08 3c18 n LEU 195 N -3.94 0.33 -4.75 1.67 4.77 -0.14 -5.03 117.00 109.92 3c18 n LEU 195 Ca -0.27 -0.60 -0.35 0.00 -0.03 0.00 0.00 56.01 54.77 3c18 n LEU 195 Cb 0.89 0.00 0.06 0.00 -2.33 0.00 0.00 43.42 42.03 3c18 n LEU 195 CO 0.38 0.08 0.80 -0.94 -1.33 0.00 0.00 177.39 176.38 3c18 s SER 196 N -1.03 4.85 0.29 -1.43 1.04 -0.40 -4.89 113.70 112.13 3c18 s SER 196 Ca 0.01 2.27 0.26 0.00 0.48 0.00 0.00 55.95 58.96 3c18 s SER 196 Cb 0.02 -2.58 0.77 0.00 0.10 0.00 0.00 66.02 64.33 3c18 s SER 196 CO 0.09 -1.82 1.74 -0.33 0.98 0.00 0.00 173.24 173.90 3c18 h GLU 197 N 0.27 0.00 -6.74 4.02 4.39 -1.96 -3.46 114.58 111.10 3c18 h GLU 197 Ca -0.48 0.00 -0.44 0.00 0.34 0.00 0.00 59.36 58.77 3c18 h GLU 197 Cb 1.28 0.00 0.23 0.00 -0.10 0.00 0.00 28.75 30.16 3c18 h GLU 197 CO 0.53 0.00 -0.90 0.39 -1.16 0.00 0.00 179.01 177.87 3c18 n GLU 198 N -2.51 -1.88 -1.66 2.33 -0.58 -1.26 -4.98 120.64 110.10 3c18 n GLU 198 Ca 0.04 -0.53 -0.31 0.00 -0.42 0.00 0.00 57.16 55.95 3c18 n GLU 198 Cb 0.41 -1.77 0.05 0.00 -0.57 0.00 0.00 31.44 29.57 3c18 n GLU 198 CO 0.00 0.00 0.00 0.95 -0.48 0.00 0.00 177.13 177.60 3c18 s THR 199 N -2.25 3.83 0.18 2.62 -4.23 -1.26 -4.80 115.64 109.73 3c18 s THR 199 Ca 0.58 0.59 -0.14 0.00 -1.18 0.00 0.00 61.69 61.55 3c18 s THR 199 Cb -0.14 -3.42 0.07 0.00 1.34 0.00 0.00 72.50 70.35 3c18 s THR 199 CO 0.65 -0.78 1.80 0.25 -0.54 0.00 0.00 174.62 176.00 3c18 h LEU 200 N -0.73 0.42 -0.94 4.79 5.85 -1.97 0.38 115.31 123.10 3c18 h LEU 200 Ca -0.45 0.02 -0.05 0.00 0.84 0.00 0.00 57.88 58.23 3c18 h LEU 200 Cb 1.23 -0.07 -0.03 0.00 0.37 0.00 0.00 40.66 42.16 3c18 h LEU 200 CO 0.59 0.29 0.17 -0.33 -0.34 0.00 0.00 178.44 178.82 3c18 h GLU 201 N 0.54 0.94 -0.09 1.25 3.07 -1.97 -2.18 114.58 116.15 3c18 h GLU 201 Ca 0.21 -0.20 -0.21 0.00 -0.50 0.00 0.00 59.36 58.66 3c18 h GLU 201 Cb 0.08 -0.14 0.00 0.00 -0.84 0.00 0.00 28.75 27.85 3c18 h GLU 201 CO -0.12 0.83 -0.80 0.37 -1.40 0.00 0.00 179.01 177.89 3c18 h GLN 202 N 0.91 0.58 -0.44 2.33 5.75 -1.71 -2.31 115.11 120.21 3c18 h GLN 202 Ca 0.20 -0.50 -0.06 0.00 -0.15 0.00 0.00 58.65 58.14 3c18 h GLN 202 Cb 0.30 0.11 -0.02 0.00 1.07 0.00 0.00 27.48 28.94 3c18 h GLN 202 CO -0.00 1.12 0.03 0.00 -2.65 0.00 0.00 178.83 177.33 3c18 h ARG 203 N 0.38 0.71 -0.04 1.69 3.08 0.06 -0.53 114.38 119.72 3c18 h ARG 203 Ca -0.05 -0.17 -0.24 0.00 0.07 0.00 0.00 59.98 59.59 3c18 h ARG 203 Cb 1.41 -0.09 0.01 0.00 0.08 0.00 0.00 29.97 31.38 3c18 h ARG 203 CO 0.15 0.70 -0.92 0.82 -1.07 0.00 0.00 179.97 179.65 3c18 h ILE 204 N 0.67 1.32 0.16 2.04 2.04 -1.35 -1.36 117.51 121.03 3c18 h ILE 204 Ca 0.14 -2.23 -0.01 0.00 1.00 0.00 0.00 64.86 63.76 3c18 h ILE 204 Cb 0.38 2.27 0.00 0.00 -0.74 0.00 0.00 36.82 38.73 3c18 h ILE 204 CO 0.01 0.68 -0.08 -0.74 0.00 0.00 0.00 178.15 178.03 3c18 h HIS 205 N 0.37 -0.20 -0.50 1.37 2.76 -1.01 -0.51 115.15 117.42 3c18 h HIS 205 Ca -0.09 -0.00 -0.02 0.00 -2.20 0.00 0.00 60.37 58.06 3c18 h HIS 205 Cb 1.55 0.07 -0.02 0.00 1.55 0.00 0.00 27.41 30.56 3c18 h HIS 205 CO 0.08 -0.07 0.24 -0.07 -1.30 0.00 0.00 177.93 176.81 3c18 h LEU 206 N -0.29 0.63 -0.62 0.26 3.38 -1.08 -1.65 115.31 115.94 3c18 h LEU 206 Ca -0.02 -0.05 -0.13 0.00 0.09 0.00 0.00 57.88 57.76 3c18 h LEU 206 Cb 0.22 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.80 3c18 h LEU 206 CO 0.04 0.54 -0.36 0.00 0.09 0.00 0.00 178.44 178.74 3c18 h ALA 207 N 1.56 0.80 0.00 1.53 0.00 -1.00 -2.71 119.26 119.44 3c18 h ALA 207 Ca 0.18 -0.43 -0.12 0.00 0.00 0.00 0.00 54.91 54.54 3c18 h ALA 207 Cb 0.07 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 3c18 h ALA 207 CO -0.02 0.65 -0.58 -0.07 0.00 0.00 0.00 179.25 179.22 3c18 h LEU 208 N 0.57 0.00 -0.22 0.00 3.38 -0.39 -1.56 115.31 117.09 3c18 h LEU 208 Ca 0.06 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.92 3c18 h LEU 208 Cb 0.88 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.63 3c18 h LEU 208 CO 0.08 0.58 -0.28 0.40 0.09 0.00 0.00 178.44 179.31 3c18 h ILE 209 N 0.00 1.32 -0.06 1.22 1.08 -1.23 -1.93 117.51 117.91 3c18 h ILE 209 Ca -0.01 -1.48 -0.13 0.00 -0.39 0.00 0.00 64.86 62.86 3c18 h ILE 209 Cb 1.04 1.75 -0.01 0.00 -3.07 0.00 0.00 36.82 36.53 3c18 h ILE 209 CO 0.08 0.46 -0.54 1.23 -0.69 0.00 0.00 178.15 178.69 3c18 h GLY 210 N 0.28 0.20 0.36 5.37 0.00 -1.34 -2.54 103.07 105.40 3c18 h GLY 210 Ca 0.03 -0.23 -0.00 0.00 0.00 0.00 0.00 47.33 47.13 3c18 h GLY 210 CO 0.07 0.20 -0.03 -2.00 0.00 0.00 0.00 176.54 174.78 3c18 h LEU 211 N 0.14 -0.07 -0.85 3.11 5.85 -1.25 -1.88 115.31 120.35 3c18 h LEU 211 Ca 0.00 -0.53 0.15 0.00 0.84 0.00 0.00 57.88 58.35 3c18 h LEU 211 Cb 0.99 0.02 -0.10 0.00 0.37 0.00 0.00 40.66 41.95 3c18 h LEU 211 CO 0.08 0.53 0.43 -0.08 -0.34 0.00 0.00 178.44 179.06 3c18 h GLU 212 N -0.72 0.58 -0.25 1.25 4.81 -1.31 0.26 114.58 119.20 3c18 h GLU 212 Ca -0.01 -0.03 -0.05 0.00 -0.13 0.00 0.00 59.36 59.14 3c18 h GLU 212 Cb 0.59 -0.13 -0.01 0.00 0.63 0.00 0.00 28.75 29.83 3c18 h GLU 212 CO 0.01 0.38 -0.04 1.25 -0.73 0.00 0.00 179.01 179.89 3c18 h HIS 213 N 0.60 0.52 0.00 0.92 2.76 -1.37 -2.64 115.15 115.93 3c18 h HIS 213 Ca 0.47 -0.10 -0.10 0.00 -2.20 0.00 0.00 60.37 58.44 3c18 h HIS 213 Cb 0.70 -0.13 -0.01 0.00 1.55 0.00 0.00 27.41 29.51 3c18 h HIS 213 CO -0.10 0.67 -0.48 -0.07 -1.30 0.00 0.00 177.93 176.65 3c18 h LEU 214 N 0.22 0.00 -1.24 0.26 3.38 -0.77 -2.52 115.31 114.63 3c18 h LEU 214 Ca 0.07 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.96 3c18 h LEU 214 Cb 0.49 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.23 3c18 h LEU 214 CO 0.02 0.48 -0.30 0.25 0.09 0.00 0.00 178.44 178.98 3c18 h LEU 215 N 0.00 0.13 -0.11 1.67 5.85 -0.35 -1.90 115.31 120.61 3c18 h LEU 215 Ca -0.00 -0.04 -0.13 0.00 0.84 0.00 0.00 57.88 58.54 3c18 h LEU 215 Cb 0.97 -0.04 0.01 0.00 0.37 0.00 0.00 40.66 41.97 3c18 h LEU 215 CO 0.06 0.43 -0.44 1.56 -0.34 0.00 0.00 178.44 179.71 3c18 h GLN 216 N 0.12 0.49 0.00 1.25 1.08 -1.10 -3.15 115.11 113.80 3c18 h GLN 216 Ca 0.02 -0.38 -0.00 0.00 -1.45 0.00 0.00 58.65 56.83 3c18 h GLN 216 Cb 0.59 0.07 -0.00 0.00 -0.05 0.00 0.00 27.48 28.09 3c18 h GLN 216 CO 0.04 1.01 -0.01 1.03 -0.95 0.00 0.00 178.83 179.95 3c18 h SER 217 N 0.08 0.00 -0.39 1.46 0.87 -0.97 -2.83 113.55 111.77 3c18 h SER 217 Ca -0.02 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.54 3c18 h SER 217 Cb 1.08 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.04 3c18 h SER 217 CO 0.09 0.01 0.00 0.29 -0.53 0.00 0.00 176.83 176.69 3c18 n LYS 218 N -4.19 2.96 -0.25 2.24 5.02 -0.78 -4.65 118.16 118.50 3c18 n LYS 218 Ca -0.03 -2.33 -0.03 0.00 -2.02 0.00 0.00 58.31 53.90 3c18 n LYS 218 Cb 0.09 -1.46 0.09 0.00 -0.02 0.00 0.00 35.03 33.73 3c18 n LYS 218 CO 0.00 0.00 0.00 -0.24 -0.52 0.00 0.00 177.40 176.64 3c18 h VAL 219 N 2.35 1.08 0.00 -0.18 3.04 -1.47 -0.83 116.25 120.24 3c18 h VAL 219 Ca 0.00 -0.29 -0.06 0.00 -1.01 0.00 0.00 66.70 65.34 3c18 h VAL 219 Cb 0.96 0.15 -0.01 0.00 -2.01 0.00 0.00 31.29 30.38 3c18 h VAL 219 CO 0.07 0.16 -0.27 -0.07 -1.01 0.00 0.00 177.57 176.44 3c18 h LEU 220 N 0.86 0.00 -0.49 3.16 3.38 -1.84 -1.01 115.31 119.36 3c18 h LEU 220 Ca 0.29 0.00 -0.16 0.00 0.09 0.00 0.00 57.88 58.10 3c18 h LEU 220 Cb 0.05 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.79 3c18 h LEU 220 CO -0.12 0.27 -0.47 0.28 0.09 0.00 0.00 178.44 178.48 3c18 h SER 221 N 0.00 0.77 1.25 -0.43 0.02 -1.50 -0.71 113.55 112.94 3c18 h SER 221 Ca -0.00 -0.38 -0.07 0.00 -0.84 0.00 0.00 61.79 60.50 3c18 h SER 221 Cb 0.49 -0.22 -0.01 0.00 0.14 0.00 0.00 62.40 62.80 3c18 h SER 221 CO 0.03 1.12 -0.31 1.23 -1.14 0.00 0.00 176.83 177.76 3c18 h GLY 222 N 0.93 0.00 0.00 -3.77 0.00 -0.73 -3.33 103.07 96.18 3c18 h GLY 222 Ca 0.03 0.00 -0.06 0.00 0.00 0.00 0.00 47.33 47.30 3c18 h GLY 222 CO 0.10 0.00 -1.87 0.61 0.00 0.00 0.00 176.54 175.38 3c18 n GLY 223 N 0.66 -0.81 0.31 4.60 0.00 -0.46 -4.12 105.19 105.37 3c18 n GLY 223 Ca 0.01 -0.39 -0.00 0.00 0.00 0.00 0.00 46.02 45.64 3c18 n GLY 223 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 3c18 h LYS 224 N 0.00 -0.04 -0.69 1.61 3.64 -1.23 -0.19 116.57 119.66 3c18 h LYS 224 Ca -0.09 0.00 -0.04 0.00 -1.27 0.00 0.00 60.65 59.25 3c18 h LYS 224 Cb 1.04 0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 32.84 3c18 h LYS 224 CO 0.00 -0.03 0.26 -0.92 -2.27 0.00 0.00 179.45 176.50 3c18 h TYR 225 N -0.04 1.06 -0.27 1.91 3.20 -1.83 -0.95 116.97 120.05 3c18 h TYR 225 Ca 0.33 -0.09 -0.03 0.00 3.14 0.00 0.00 58.73 62.09 3c18 h TYR 225 Cb 0.57 -0.31 -0.01 0.00 1.54 0.00 0.00 36.73 38.51 3c18 h TYR 225 CO -0.65 0.83 0.04 1.25 -1.64 0.00 0.00 178.16 177.99 3c18 h LEU 226 N 0.98 0.43 -0.73 2.82 5.85 -1.41 -2.35 115.31 120.90 3c18 h LEU 226 Ca 0.23 -0.27 -0.06 0.00 0.84 0.00 0.00 57.88 58.62 3c18 h LEU 226 Cb 0.23 -0.11 -0.03 0.00 0.37 0.00 0.00 40.66 41.11 3c18 h LEU 226 CO -0.02 0.59 0.23 -0.26 -0.34 0.00 0.00 178.44 178.64 3c18 h PHE 227 N 0.25 1.18 -0.71 1.25 0.04 -0.70 -2.35 116.94 115.91 3c18 h PHE 227 Ca 0.08 -0.12 -0.05 0.00 2.80 0.00 0.00 57.97 60.68 3c18 h PHE 227 Cb 0.35 -0.34 -0.03 0.00 2.20 0.00 0.00 35.95 38.13 3c18 h PHE 227 CO 0.02 0.94 0.24 1.49 -0.60 0.00 0.00 178.31 180.40 3c18 h GLU 228 N 1.09 1.08 -0.67 1.51 4.57 -1.12 -0.05 114.58 121.00 3c18 h GLU 228 Ca 0.24 -0.22 0.00 0.00 -1.18 0.00 0.00 59.36 58.20 3c18 h GLU 228 Cb 0.31 -0.16 0.00 0.00 -0.16 0.00 0.00 28.75 28.74 3c18 h GLU 228 CO -0.01 0.92 0.00 0.28 -1.18 0.00 0.00 179.01 179.02 3c18 n VAL 229 N -4.32 0.06 0.00 0.32 0.31 -0.89 -3.42 118.33 110.39 3c18 n VAL 229 Ca 0.05 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.38 3c18 n VAL 229 Cb 0.21 -0.25 0.00 0.00 -0.91 0.00 0.00 33.84 32.88 3c18 n VAL 229 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 3c18 n ARG 231 N 0.54 0.00 0.00 5.55 1.74 -0.03 -4.47 116.66 119.98 3c18 n ARG 231 Ca 0.00 0.00 0.06 0.00 -0.77 0.00 0.00 57.85 57.14 3c18 n ARG 231 Cb 0.07 -0.08 0.28 0.00 -1.02 0.00 0.00 32.46 31.70 3c18 n ARG 231 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 3c18 n GLU 232 N 0.08 0.12 -4.09 5.56 1.02 -1.22 -4.53 120.64 117.59 3c18 n GLU 232 Ca 0.00 0.21 -0.14 0.00 -0.02 0.00 0.00 57.16 57.22 3c18 n GLU 232 Cb 0.00 -1.50 -0.12 0.00 -0.02 0.00 0.00 31.44 29.80 3c18 n GLU 232 CO 0.00 0.00 0.00 -0.98 1.18 0.00 0.00 177.13 177.33 3c18 s ARG 233 N -2.69 0.50 -0.03 3.49 1.70 -1.26 -5.04 118.95 115.62 3c18 s ARG 233 Ca 0.09 -0.61 0.06 0.00 -0.47 0.00 0.00 55.73 54.81 3c18 s ARG 233 Cb 0.08 -0.32 0.23 0.00 -0.57 0.00 0.00 34.95 34.37 3c18 s ARG 233 CO 0.18 0.07 1.08 -0.40 -1.08 0.00 0.00 175.30 175.15 3c18 n ASP 234 N 1.85 1.75 -3.97 -2.89 5.75 -1.26 -4.85 116.55 112.93 3c18 n ASP 234 Ca -0.20 -2.11 -0.10 0.00 -0.01 0.00 0.00 54.79 52.37 3c18 n ASP 234 Cb 0.56 -0.31 -0.07 0.00 -1.03 0.00 0.00 41.12 40.27 3c18 n ASP 234 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3c18 s ARG 235 N -1.64 1.23 0.72 0.11 1.70 -1.26 -5.16 118.95 114.64 3c18 s ARG 235 Ca 0.17 -1.20 -0.15 0.00 -0.47 0.00 0.00 55.73 54.08 3c18 s ARG 235 Cb 0.10 0.39 0.03 0.00 -0.57 0.00 0.00 34.95 34.91 3c18 s ARG 235 CO 0.09 -0.46 1.17 -2.14 -1.08 0.00 0.00 175.30 172.88 3c18 s PRO 236 N -3.98 2.28 0.03 3.89 0.02 -1.26 -4.96 135.00 131.01 3c18 s PRO 236 Ca 0.19 1.62 0.02 0.00 0.02 0.00 0.00 61.00 62.85 3c18 s PRO 236 Cb 0.03 -1.87 -0.04 0.00 0.02 0.00 0.00 34.50 32.64 3c18 s PRO 236 CO 0.02 -1.69 0.03 -1.58 -0.33 0.00 0.00 177.00 173.45 3c18 s TRP 237 N -2.15 3.12 0.00 6.54 0.52 0.22 -4.82 118.94 122.38 3c18 s TRP 237 Ca 0.71 0.09 0.00 0.00 0.02 0.00 0.00 56.10 56.92 3c18 s TRP 237 Cb -0.26 -1.65 0.00 0.00 -1.15 0.00 0.00 33.47 30.41 3c18 s TRP 237 CO 0.45 0.49 0.00 0.25 0.02 0.00 0.00 176.95 178.16 3c18 n THR 238 N 1.07 0.00 0.00 2.01 -2.24 -1.26 -0.06 114.28 113.79 3c18 n THR 238 Ca -0.13 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.65 3c18 n THR 238 Cb 0.52 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.75 3c18 n THR 238 CO 0.00 0.00 0.00 1.57 -0.57 0.00 0.00 175.07 176.07 3c18 n HIS 240 N 0.00 0.00 -0.19 4.78 -0.00 -1.26 -1.85 115.22 116.70 3c18 n HIS 240 Ca 0.00 0.00 -0.10 0.00 -0.00 0.00 0.00 57.72 57.62 3c18 n HIS 240 Cb 0.00 0.00 0.01 0.00 -0.00 0.00 0.00 29.99 30.00 3c18 n HIS 240 CO 0.00 0.00 0.00 0.93 -0.00 0.00 0.00 176.34 177.27 3c18 h GLU 241 N 0.00 1.02 -1.46 1.57 5.08 -1.99 -1.12 114.58 117.68 3c18 h GLU 241 Ca 0.00 -0.35 0.00 0.00 -1.00 0.00 0.00 59.36 58.01 3c18 h GLU 241 Cb 0.00 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.17 3c18 h GLU 241 CO 0.00 1.04 0.00 1.28 -1.00 0.00 0.00 179.01 180.33 3c18 n LEU 242 N -4.19 0.75 0.00 1.33 4.77 -0.77 -1.87 117.00 117.02 3c18 n LEU 242 Ca 0.02 -0.38 0.00 0.00 -0.03 0.00 0.00 56.01 55.62 3c18 n LEU 242 Cb 0.37 -0.14 0.00 0.00 -2.33 0.00 0.00 43.42 41.32 3c18 n LEU 242 CO 0.45 0.13 0.00 -0.62 -1.33 0.00 0.00 177.39 176.02 3c18 n GLU 244 N 0.77 0.00 -2.23 3.23 -0.58 -0.42 -4.79 120.64 116.61 3c18 n GLU 244 Ca 0.00 0.00 -0.42 0.00 -0.42 0.00 0.00 57.16 56.32 3c18 n GLU 244 Cb 0.13 0.00 -0.03 0.00 -0.57 0.00 0.00 31.44 30.97 3c18 n GLU 244 CO 0.00 0.00 0.00 -2.00 -0.48 0.00 0.00 177.13 174.65 3c18 s GLU 245 N 0.00 4.29 0.25 3.49 2.56 -0.78 -4.92 118.70 123.58 3c18 s GLU 245 Ca 0.00 1.96 -0.04 0.00 0.00 0.00 0.00 54.97 56.88 3c18 s GLU 245 Cb 0.00 -3.57 0.28 0.00 2.00 0.00 0.00 34.13 32.85 3c18 s GLU 245 CO 0.00 -0.57 1.81 0.66 -0.56 0.00 0.00 175.26 176.60 3c18 h SER 246 N 7.80 0.95 0.40 -1.70 4.64 -1.92 -0.98 113.55 122.75 3c18 h SER 246 Ca -0.38 -0.15 0.00 0.00 -0.47 0.00 0.00 61.79 60.79 3c18 h SER 246 Cb 1.18 -0.25 0.00 0.00 -0.31 0.00 0.00 62.40 63.02 3c18 h SER 246 CO 0.90 0.87 0.00 0.54 -0.87 0.00 0.00 176.83 178.27 3c18 n ARG 247 N -4.28 0.02 -0.03 4.77 1.74 -1.26 -1.72 116.66 115.89 3c18 n ARG 247 Ca 0.06 0.33 0.06 0.00 -0.77 0.00 0.00 57.85 57.53 3c18 n ARG 247 Cb 0.19 -1.55 0.07 0.00 -1.02 0.00 0.00 32.46 30.16 3c18 n ARG 247 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 3c18 n LEU 248 N -1.59 2.18 -0.34 0.55 4.77 -0.40 -4.67 117.00 117.51 3c18 n LEU 248 Ca 0.02 -1.18 0.10 0.00 -0.03 0.00 0.00 56.01 54.93 3c18 n LEU 248 Cb 0.13 -0.04 0.28 0.00 -2.33 0.00 0.00 43.42 41.46 3c18 n LEU 248 CO 0.11 0.44 1.17 0.00 -1.33 0.00 0.00 177.39 177.78 3c18 h THR 249 N 2.33 0.73 0.00 -5.08 1.03 -1.06 0.26 112.91 111.12 3c18 h THR 249 Ca 0.00 -0.25 0.00 0.00 -0.01 0.00 0.00 66.41 66.15 3c18 h THR 249 Cb 0.55 -0.07 0.00 0.00 -1.07 0.00 0.00 68.15 67.55 3c18 h THR 249 CO 0.00 0.14 0.00 -0.62 -0.01 0.00 0.00 175.52 175.03 3c18 n GLU 250 N -4.79 0.01 0.00 0.00 -0.58 -1.26 -2.55 120.64 111.47 3c18 n GLU 250 Ca 0.21 0.21 0.08 0.00 -0.42 0.00 0.00 57.16 57.24 3c18 n GLU 250 Cb 0.51 -1.52 0.02 0.00 -0.57 0.00 0.00 31.44 29.87 3c18 n GLU 250 CO 0.00 0.00 0.00 1.28 -0.48 0.00 0.00 177.13 177.93 3c18 n LEU 251 N -1.54 1.85 -0.31 -4.62 4.77 0.88 -4.65 117.00 113.37 3c18 n LEU 251 Ca 0.04 -0.83 0.15 0.00 -0.03 0.00 0.00 56.01 55.34 3c18 n LEU 251 Cb 0.21 0.00 0.32 0.00 -2.33 0.00 0.00 43.42 41.62 3c18 n LEU 251 CO 0.17 0.34 0.99 0.11 -1.33 0.00 0.00 177.39 177.67 3c18 h LYS 252 N 2.22 0.26 0.00 3.23 1.57 -1.20 0.22 116.57 122.87 3c18 h LYS 252 Ca 0.00 -0.02 -0.03 0.00 -1.87 0.00 0.00 60.65 58.74 3c18 h LYS 252 Cb 0.59 -0.06 -0.00 0.00 0.08 0.00 0.00 32.23 32.84 3c18 h LYS 252 CO 0.00 0.17 -0.13 0.28 -0.57 0.00 0.00 179.45 179.20 3c18 h VAL 253 N 0.27 0.61 -0.00 0.50 2.07 -1.84 -2.99 116.25 114.86 3c18 h VAL 253 Ca 0.58 -0.59 0.00 0.00 0.82 0.00 0.00 66.70 67.52 3c18 h VAL 253 Cb 1.20 1.38 0.00 0.00 -1.52 0.00 0.00 31.29 32.34 3c18 h VAL 253 CO -0.62 0.13 -0.32 0.47 0.02 0.00 0.00 177.57 177.25 3c18 n ASP 254 N -3.67 0.49 -0.21 0.57 8.00 0.55 -4.70 116.55 117.58 3c18 n ASP 254 Ca -0.02 -0.74 0.01 0.00 0.71 0.00 0.00 54.79 54.75 3c18 n ASP 254 Cb 0.25 0.90 0.12 0.00 -0.02 0.00 0.00 41.12 42.38 3c18 n ASP 254 CO 0.00 0.00 0.00 -0.07 -0.39 0.00 0.00 177.20 176.74 3c18 h LEU 255 N 0.16 -0.04 -0.22 0.64 3.38 -0.75 -0.70 115.31 117.78 3c18 h LEU 255 Ca 0.00 0.12 -0.01 0.00 0.09 0.00 0.00 57.88 58.09 3c18 h LEU 255 Cb 0.20 0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.12 3c18 h LEU 255 CO 0.00 -0.02 0.11 1.23 0.09 0.00 0.00 178.44 179.85 3c18 h GLY 256 N 0.23 0.33 1.27 0.83 0.00 -1.84 0.91 103.07 104.80 3c18 h GLY 256 Ca 0.33 -0.16 -0.13 0.00 0.00 0.00 0.00 47.33 47.38 3c18 h GLY 256 CO -0.44 0.15 -0.27 1.76 0.00 0.00 0.00 176.54 177.74 3c18 h SER 257 N 0.24 0.86 -0.25 0.19 0.02 -1.80 -1.82 113.55 110.98 3c18 h SER 257 Ca 0.08 -0.34 -0.04 0.00 -0.84 0.00 0.00 61.79 60.65 3c18 h SER 257 Cb 0.09 -0.24 -0.01 0.00 0.14 0.00 0.00 62.40 62.38 3c18 h SER 257 CO -0.01 1.08 0.00 -0.07 -1.14 0.00 0.00 176.83 176.68 3c18 h LEU 258 N 0.71 0.43 -0.83 5.07 3.38 -0.95 -1.89 115.31 121.22 3c18 h LEU 258 Ca 0.09 -0.31 -0.03 0.00 0.09 0.00 0.00 57.88 57.72 3c18 h LEU 258 Cb 0.81 -0.11 -0.04 0.00 0.09 0.00 0.00 40.66 41.41 3c18 h LEU 258 CO 0.07 0.63 0.41 0.58 0.09 0.00 0.00 178.44 180.22 3c18 h VAL 259 N 0.21 1.25 -0.42 1.22 2.07 -0.76 0.20 116.25 120.03 3c18 h VAL 259 Ca 0.07 -0.70 0.01 0.00 0.82 0.00 0.00 66.70 66.90 3c18 h VAL 259 Cb 0.41 0.18 -0.02 0.00 -1.52 0.00 0.00 31.29 30.34 3c18 h VAL 259 CO 0.01 0.30 0.27 -0.78 0.02 0.00 0.00 177.57 177.40 3c18 h ASP 260 N 1.18 0.47 -0.36 0.57 3.58 -1.22 -0.45 116.42 120.18 3c18 h ASP 260 Ca 0.29 -0.01 -0.05 0.00 0.42 0.00 0.00 57.03 57.68 3c18 h ASP 260 Cb 0.10 -0.12 -0.01 0.00 1.72 0.00 0.00 39.33 41.02 3c18 h ASP 260 CO -0.04 0.34 0.05 0.15 -2.88 0.00 0.00 179.24 176.86 3c18 h PHE 261 N 0.56 0.66 0.00 0.28 3.57 -0.65 -1.91 116.94 119.44 3c18 h PHE 261 Ca 0.15 -0.10 -0.08 0.00 3.53 0.00 0.00 57.97 61.48 3c18 h PHE 261 Cb -0.06 -0.18 -0.01 0.00 2.79 0.00 0.00 35.95 38.49 3c18 h PHE 261 CO -0.05 0.68 -0.38 0.74 -2.23 0.00 0.00 178.31 177.07 3c18 h PHE 262 N 0.45 0.00 -0.15 0.41 0.04 -0.70 -1.88 116.94 115.11 3c18 h PHE 262 Ca 0.11 0.00 -0.03 0.00 2.80 0.00 0.00 57.97 60.85 3c18 h PHE 262 Cb 0.38 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.53 3c18 h PHE 262 CO 0.03 0.38 -0.03 0.82 -0.60 0.00 0.00 178.31 178.90 3c18 h ILE 263 N 0.00 1.29 0.00 -0.55 2.04 -0.85 0.21 117.51 119.65 3c18 h ILE 263 Ca -0.00 -0.98 -0.01 0.00 1.00 0.00 0.00 64.86 64.87 3c18 h ILE 263 Cb 0.70 1.64 -0.00 0.00 -0.74 0.00 0.00 36.82 38.41 3c18 h ILE 263 CO 0.05 0.29 -0.03 0.03 0.00 0.00 0.00 178.15 178.49 3c18 h ARG 264 N -0.02 0.00 -0.18 2.37 3.08 -0.59 -0.01 114.38 119.03 3c18 h ARG 264 Ca 0.04 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.09 3c18 h ARG 264 Cb 0.46 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.51 3c18 h ARG 264 CO 0.01 0.03 0.00 1.63 -1.07 0.00 0.00 179.97 180.58 3c18 n LYS 265 N -3.45 2.26 -1.33 0.04 4.76 -0.80 -4.94 118.16 114.70 3c18 n LYS 265 Ca -0.02 -1.87 -0.07 0.00 -2.87 0.00 0.00 58.31 53.48 3c18 n LYS 265 Cb 0.14 -1.48 -0.03 0.00 -1.84 0.00 0.00 35.03 31.83 3c18 n LYS 265 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3c18 n GLY 266 N 1.37 0.80 0.06 0.72 0.00 -0.02 -4.90 105.19 103.22 3c18 n GLY 266 Ca 0.17 -0.72 0.10 0.00 0.00 0.00 0.00 46.02 45.58 3c18 n GLY 266 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3c18 n LEU 267 N -0.82 0.38 -4.15 0.99 4.77 0.68 -4.77 117.00 114.07 3c18 n LEU 267 Ca -0.07 0.15 -0.24 0.00 -0.03 0.00 0.00 56.01 55.82 3c18 n LEU 267 Cb 0.27 -0.01 -0.15 0.00 -2.33 0.00 0.00 43.42 41.20 3c18 n LEU 267 CO 0.10 -0.06 -0.49 -0.63 -1.33 0.00 0.00 177.39 174.98 3c18 s ILE 268 N -3.42 1.27 -0.22 -0.08 1.01 -0.97 -0.90 121.20 117.89 3c18 s ILE 268 Ca -0.05 -0.72 -0.07 0.00 0.00 0.00 0.00 60.65 59.81 3c18 s ILE 268 Cb 0.12 -1.06 -0.03 0.00 0.01 0.00 0.00 42.46 41.49 3c18 s ILE 268 CO 0.86 0.34 0.07 -0.60 0.00 0.00 0.00 174.94 175.60 3c18 s ARG 269 N -0.44 3.78 -0.16 2.79 3.52 0.13 -4.24 118.95 124.33 3c18 s ARG 269 Ca 0.06 -0.43 -0.10 0.00 -0.13 0.00 0.00 55.73 55.13 3c18 s ARG 269 Cb -0.06 -3.28 -0.05 0.00 -1.56 0.00 0.00 34.95 30.00 3c18 s ARG 269 CO -0.00 -0.00 0.18 -1.50 -0.81 0.00 0.00 175.30 173.16 3c18 s ILE 270 N 1.12 5.40 0.26 4.11 2.07 -1.26 -1.30 121.20 131.60 3c18 s ILE 270 Ca 0.04 0.29 0.06 0.00 -1.41 0.00 0.00 60.65 59.63 3c18 s ILE 270 Cb -0.14 -3.50 -0.02 0.00 0.13 0.00 0.00 42.46 38.93 3c18 s ILE 270 CO 0.03 0.48 0.21 -1.54 -1.91 0.00 0.00 174.94 172.21 3c18 n SER 271 N 3.09 -0.45 -3.72 4.50 3.41 -0.36 -4.99 113.62 115.10 3c18 n SER 271 Ca -0.16 -2.69 -0.18 0.00 -0.26 0.00 0.00 58.87 55.58 3c18 n SER 271 Cb 0.53 1.27 -0.17 0.00 -0.26 0.00 0.00 64.21 65.57 3c18 n SER 271 CO 0.00 0.00 0.00 -0.31 -0.16 0.00 0.00 175.04 174.57 3c18 s TYR 272 N -3.03 0.09 -0.27 7.33 1.51 -1.26 -0.88 117.35 120.84 3c18 s TYR 272 Ca 0.30 0.18 -0.01 0.00 -1.01 0.00 0.00 57.07 56.52 3c18 s TYR 272 Cb 0.01 -0.39 0.04 0.00 -0.11 0.00 0.00 41.96 41.51 3c18 s TYR 272 CO 0.21 -0.15 -0.04 -1.14 -1.11 0.00 0.00 175.55 173.32 3c18 s GLN 273 N 1.66 2.61 0.05 -0.62 2.00 0.06 -4.93 119.66 120.49 3c18 s GLN 273 Ca -0.01 -1.13 -0.28 0.00 -2.00 0.00 0.00 55.36 51.94 3c18 s GLN 273 Cb -0.13 -3.05 -0.05 0.00 0.80 0.00 0.00 33.01 30.59 3c18 s GLN 273 CO -0.03 -0.50 0.88 0.50 -0.50 0.00 0.00 175.29 175.64 3c18 s ARG 274 N 1.27 4.58 0.09 1.67 3.52 -1.26 -0.92 118.95 127.90 3c18 s ARG 274 Ca -0.03 1.28 -0.31 0.00 -0.13 0.00 0.00 55.73 56.54 3c18 s ARG 274 Cb -0.18 -3.40 -0.07 0.00 -1.56 0.00 0.00 34.95 29.74 3c18 s ARG 274 CO -0.03 0.15 1.28 0.99 -0.81 0.00 0.00 175.30 176.88 3c18 s THR 275 N 0.32 3.72 0.07 4.11 2.01 -1.07 -4.94 115.64 119.86 3c18 s THR 275 Ca 0.45 1.23 -0.33 0.00 0.31 0.00 0.00 61.69 63.35 3c18 s THR 275 Cb -0.21 -3.79 -0.12 0.00 0.01 0.00 0.00 72.50 68.38 3c18 s THR 275 CO 0.26 0.10 1.74 0.29 -0.69 0.00 0.00 174.62 176.32 3c18 n LYS 276 N 3.92 2.30 -0.37 4.92 5.02 -1.26 -0.89 118.16 131.81 3c18 n LYS 276 Ca 0.10 0.84 0.00 0.00 -2.02 0.00 0.00 58.31 57.23 3c18 n LYS 276 Cb 0.45 -2.66 0.00 0.00 -0.02 0.00 0.00 35.03 32.80 3c18 n LYS 276 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3c18 n GLY 277 N 3.92 1.19 3.42 0.72 0.00 -1.26 -5.02 105.19 108.16 3c18 n GLY 277 Ca 0.19 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 46.00 3c18 n GLY 277 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3c18 s LEU 278 N 0.00 2.24 -0.06 0.99 1.43 -0.07 -5.07 118.68 118.15 3c18 s LEU 278 Ca 0.00 -1.31 0.16 0.00 -1.03 0.00 0.00 54.13 51.95 3c18 s LEU 278 Cb 0.00 -0.41 -0.22 0.00 0.03 0.00 0.00 46.19 45.59 3c18 s LEU 278 CO 0.00 -0.54 0.52 0.61 0.23 0.00 0.00 176.35 177.17 3c18 n GLY 279 N -0.62 -1.06 3.75 -3.19 0.00 -1.26 -4.49 105.19 98.32 3c18 n GLY 279 Ca -0.03 -0.19 -0.41 0.00 0.00 0.00 0.00 46.02 45.39 3c18 n GLY 279 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3c18 s VAL 280 N -2.73 3.18 -0.01 1.61 0.11 -1.26 -4.90 120.40 116.40 3c18 s VAL 280 Ca -0.06 1.03 0.01 0.00 -2.93 0.00 0.00 61.98 60.03 3c18 s VAL 280 Cb 0.08 -3.66 -0.04 0.00 -1.53 0.00 0.00 36.38 31.24 3c18 s VAL 280 CO 0.83 0.18 0.02 -1.61 -3.33 0.00 0.00 175.10 171.20 3c18 s GLU 281 N -0.59 2.87 -0.14 1.54 2.02 -1.26 -2.59 118.70 120.54 3c18 s GLU 281 Ca 0.53 -0.57 -0.10 0.00 0.02 0.00 0.00 54.97 54.85 3c18 s GLU 281 Cb -0.36 -2.73 -0.05 0.00 0.10 0.00 0.00 34.13 31.09 3c18 s GLU 281 CO 0.41 0.63 0.20 -0.51 0.02 0.00 0.00 175.26 176.02 3c18 s LEU 282 N -1.58 4.31 0.10 1.80 1.43 -0.09 -4.88 118.68 119.77 3c18 s LEU 282 Ca 0.20 0.46 -0.30 0.00 -1.03 0.00 0.00 54.13 53.46 3c18 s LEU 282 Cb -0.12 -2.20 -0.06 0.00 0.03 0.00 0.00 46.19 43.84 3c18 s LEU 282 CO 0.11 0.26 1.04 -0.69 0.23 0.00 0.00 176.35 177.30 3c18 s VAL 283 N -0.28 4.30 0.16 -1.59 1.01 -1.26 -0.76 120.40 121.99 3c18 s VAL 283 Ca 0.14 1.84 0.10 0.00 0.00 0.00 0.00 61.98 64.06 3c18 s VAL 283 Cb -0.12 -4.18 -0.04 0.00 0.00 0.00 0.00 36.38 32.04 3c18 s VAL 283 CO 0.03 0.25 -0.22 0.42 0.00 0.00 0.00 175.10 175.58 3c18 s THR 284 N 0.26 2.05 -0.02 3.92 -4.23 -0.06 -4.40 115.64 113.16 3c18 s THR 284 Ca 0.50 -1.87 0.02 0.00 -1.18 0.00 0.00 61.69 59.17 3c18 s THR 284 Cb -0.26 -1.91 0.00 0.00 1.34 0.00 0.00 72.50 71.67 3c18 s THR 284 CO 0.31 -0.14 -0.08 -0.31 -0.54 0.00 0.00 174.62 173.86 3c18 s TYR 285 N -1.62 0.76 -0.05 3.99 2.02 0.91 -1.23 117.35 122.14 3c18 s TYR 285 Ca 0.16 -0.17 -0.03 0.00 -0.37 0.00 0.00 57.07 56.66 3c18 s TYR 285 Cb -0.08 -0.53 0.02 0.00 -0.40 0.00 0.00 41.96 40.97 3c18 s TYR 285 CO 0.07 -0.06 0.11 -2.00 -1.57 0.00 0.00 175.55 172.10 3c18 s GLU 286 N 0.08 0.10 0.35 -0.62 2.12 -0.42 -0.61 118.70 119.70 3c18 s GLU 286 Ca -0.01 0.22 -0.28 0.00 0.36 0.00 0.00 54.97 55.26 3c18 s GLU 286 Cb -0.06 -0.04 -0.10 0.00 0.26 0.00 0.00 34.13 34.18 3c18 s GLU 286 CO -0.00 -0.08 1.34 -2.14 -0.54 0.00 0.00 175.26 173.85 3c18 s PRO 287 N 0.50 4.25 0.00 4.30 0.02 -1.26 0.19 135.00 143.00 3c18 s PRO 287 Ca -0.04 2.28 0.26 0.00 0.02 0.00 0.00 61.00 63.52 3c18 s PRO 287 Cb -0.05 -3.01 0.52 0.00 0.02 0.00 0.00 34.50 31.98 3c18 s PRO 287 CO -0.02 -0.30 1.45 0.28 -0.33 0.00 0.00 177.00 178.08