#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3bmo s ALA 3 N 0.00 3.51 0.93 -1.84 0.00 -1.26 -5.03 121.76 118.06 3bmo s ALA 3 Ca 0.00 1.06 -0.12 0.00 0.00 0.00 0.00 51.96 52.90 3bmo s ALA 3 Cb 0.00 -3.47 0.15 0.00 0.00 0.00 0.00 23.12 19.79 3bmo s ALA 3 CO 0.00 -0.51 1.09 -1.25 0.00 0.00 0.00 175.76 175.10 3bmo s PRO 4 N 0.10 1.01 0.04 0.00 0.04 -1.26 -4.74 135.00 130.19 3bmo s PRO 4 Ca 0.57 0.72 0.05 0.00 0.04 0.00 0.00 61.00 62.39 3bmo s PRO 4 Cb -0.35 -1.79 -0.02 0.00 0.04 0.00 0.00 34.50 32.38 3bmo s PRO 4 CO 0.36 -2.38 -0.15 0.00 0.04 0.00 0.00 177.00 174.87 3bmo s ALA 5 N -2.95 1.27 0.02 8.56 0.00 -1.26 -1.01 121.76 126.39 3bmo s ALA 5 Ca 0.64 -0.85 0.05 0.00 0.00 0.00 0.00 51.96 51.80 3bmo s ALA 5 Cb -0.18 -0.22 -0.02 0.00 0.00 0.00 0.00 23.12 22.70 3bmo s ALA 5 CO 0.57 0.26 -0.14 0.00 0.00 0.00 0.00 175.76 176.45 3bmo s ALA 6 N -0.80 1.17 -0.20 0.00 0.00 0.24 -0.31 121.76 121.86 3bmo s ALA 6 Ca 0.03 -0.72 -0.09 0.00 0.00 0.00 0.00 51.96 51.19 3bmo s ALA 6 Cb -0.08 -0.24 -0.04 0.00 0.00 0.00 0.00 23.12 22.76 3bmo s ALA 6 CO 0.01 0.25 0.10 0.08 0.00 0.00 0.00 175.76 176.20 3bmo s VAL 7 N -0.59 5.02 -0.16 0.00 1.01 0.05 -0.29 120.40 125.44 3bmo s VAL 7 Ca 0.04 0.05 0.01 0.00 0.00 0.00 0.00 61.98 62.08 3bmo s VAL 7 Cb -0.07 -3.29 0.02 0.00 0.00 0.00 0.00 36.38 33.05 3bmo s VAL 7 CO 0.00 0.43 -0.18 -0.69 0.00 0.00 0.00 175.10 174.67 3bmo s VAL 8 N 0.52 1.87 0.34 2.92 1.01 -0.66 -0.28 120.40 126.12 3bmo s VAL 8 Ca 0.05 -0.83 -0.17 0.00 0.00 0.00 0.00 61.98 61.03 3bmo s VAL 8 Cb -0.12 -1.70 -0.09 0.00 0.00 0.00 0.00 36.38 34.46 3bmo s VAL 8 CO 0.00 0.51 0.78 0.42 0.00 0.00 0.00 175.10 176.81 3bmo s THR 9 N 1.27 4.61 -1.33 3.92 -4.23 -0.68 -1.78 115.64 117.42 3bmo s THR 9 Ca 0.03 1.10 -0.00 0.00 -1.18 0.00 0.00 61.69 61.63 3bmo s THR 9 Cb -0.13 -3.63 0.00 0.00 1.34 0.00 0.00 72.50 70.07 3bmo s THR 9 CO -0.10 -0.17 0.66 0.61 -0.54 0.00 0.00 174.62 175.08 3bmo n GLY 10 N -0.32 -0.28 0.72 3.99 0.00 -1.06 -2.88 105.19 105.36 3bmo n GLY 10 Ca 0.04 0.13 0.13 0.00 0.00 0.00 0.00 46.02 46.31 3bmo n GLY 10 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3bmo n ALA 11 N -4.30 2.64 0.17 4.61 0.00 -0.09 -4.10 120.51 119.43 3bmo n ALA 11 Ca -0.29 -0.59 0.02 0.00 0.00 0.00 0.00 53.44 52.58 3bmo n ALA 11 Cb 0.68 -0.94 0.30 0.00 0.00 0.00 0.00 19.45 19.49 3bmo n ALA 11 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3bmo h ALA 12 N 4.46 1.21 -2.42 0.00 0.00 -1.88 -2.86 119.26 117.76 3bmo h ALA 12 Ca 0.00 -0.41 -0.16 0.00 0.00 0.00 0.00 54.91 54.34 3bmo h ALA 12 Cb 0.79 -0.07 -0.15 0.00 0.00 0.00 0.00 17.79 18.36 3bmo h ALA 12 CO 0.00 0.56 -0.60 0.15 0.00 0.00 0.00 179.25 179.36 3bmo s LYS 13 N -3.94 0.90 5.69 0.00 1.02 -1.26 -4.55 119.74 117.59 3bmo s LYS 13 Ca -0.02 -1.35 0.00 0.00 0.02 0.00 0.00 55.97 54.62 3bmo s LYS 13 Cb 0.13 0.26 0.00 0.00 -0.52 0.00 0.00 37.83 37.70 3bmo s LYS 13 CO 0.73 -0.25 0.00 0.54 -0.92 0.00 0.00 175.35 175.45 3bmo n ARG 14 N -0.07 0.00 -0.20 1.68 1.74 -1.26 -2.00 116.66 116.55 3bmo n ARG 14 Ca -0.08 0.00 -0.07 0.00 -0.77 0.00 0.00 57.85 56.94 3bmo n ARG 14 Cb 0.63 0.00 0.03 0.00 -1.02 0.00 0.00 32.46 32.10 3bmo n ARG 14 CO 0.00 0.00 0.00 0.82 -1.52 0.00 0.00 177.63 176.93 3bmo h ILE 15 N 0.00 1.18 -0.88 0.55 2.04 -1.91 -1.98 117.51 116.52 3bmo h ILE 15 Ca 0.00 -0.45 -0.01 0.00 1.00 0.00 0.00 64.86 65.40 3bmo h ILE 15 Cb 0.00 0.45 -0.04 0.00 -0.74 0.00 0.00 36.82 36.49 3bmo h ILE 15 CO 0.00 0.20 0.51 1.23 0.00 0.00 0.00 178.15 180.08 3bmo h GLY 16 N 0.77 1.29 1.01 5.37 0.00 -1.67 -0.26 103.07 109.57 3bmo h GLY 16 Ca 0.20 -0.56 0.01 0.00 0.00 0.00 0.00 47.33 46.98 3bmo h GLY 16 CO -0.03 0.54 0.35 -0.09 0.00 0.00 0.00 176.54 177.31 3bmo h ARG 17 N 1.22 0.70 -0.43 4.80 2.43 -1.07 -0.34 114.38 121.68 3bmo h ARG 17 Ca 0.31 -0.04 -0.08 0.00 -0.81 0.00 0.00 59.98 59.36 3bmo h ARG 17 Cb -0.01 -0.16 -0.02 0.00 -0.42 0.00 0.00 29.97 29.36 3bmo h ARG 17 CO -0.05 0.47 -0.05 0.00 -1.51 0.00 0.00 179.97 178.82 3bmo h ALA 18 N 1.20 1.09 0.18 2.80 0.00 -0.61 -0.37 119.26 123.55 3bmo h ALA 18 Ca 0.20 -0.28 -0.01 0.00 0.00 0.00 0.00 54.91 54.82 3bmo h ALA 18 Cb -0.08 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.53 3bmo h ALA 18 CO -0.04 0.57 -0.09 0.82 0.00 0.00 0.00 179.25 180.51 3bmo h ILE 19 N 0.68 0.85 -0.69 0.00 2.04 -0.79 -0.75 117.51 118.86 3bmo h ILE 19 Ca 0.13 -0.13 0.09 0.00 1.00 0.00 0.00 64.86 65.95 3bmo h ILE 19 Cb 0.50 0.93 -0.07 0.00 -0.74 0.00 0.00 36.82 37.45 3bmo h ILE 19 CO 0.03 0.03 0.34 0.00 0.00 0.00 0.00 178.15 178.55 3bmo h ALA 20 N 0.52 0.95 -0.25 1.87 0.00 -0.74 -0.13 119.26 121.47 3bmo h ALA 20 Ca -0.02 0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.92 3bmo h ALA 20 Cb 0.23 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 3bmo h ALA 20 CO 0.04 -0.05 0.10 0.28 0.00 0.00 0.00 179.25 179.62 3bmo h VAL 21 N 0.59 1.18 -0.48 0.00 2.07 -0.93 -0.38 116.25 118.30 3bmo h VAL 21 Ca 0.34 -0.55 -0.11 0.00 0.82 0.00 0.00 66.70 67.19 3bmo h VAL 21 Cb 0.34 1.07 -0.02 0.00 -1.52 0.00 0.00 31.29 31.16 3bmo h VAL 21 CO -0.26 0.18 -0.14 0.50 0.02 0.00 0.00 177.57 177.88 3bmo h LYS 22 N 0.26 0.92 -0.41 1.57 3.64 -0.77 0.44 116.57 122.22 3bmo h LYS 22 Ca 0.08 -0.34 0.02 0.00 -1.27 0.00 0.00 60.65 59.14 3bmo h LYS 22 Cb 0.20 -0.06 -0.03 0.00 -0.41 0.00 0.00 32.23 31.93 3bmo h LYS 22 CO -0.01 1.00 0.24 -0.07 -2.27 0.00 0.00 179.45 178.34 3bmo h LEU 23 N 0.82 0.38 -0.47 5.20 3.38 -0.90 -1.00 115.31 122.72 3bmo h LEU 23 Ca 0.12 0.00 0.01 0.00 0.09 0.00 0.00 57.88 58.11 3bmo h LEU 23 Cb 0.68 -0.08 -0.03 0.00 0.09 0.00 0.00 40.66 41.33 3bmo h LEU 23 CO 0.05 0.28 0.30 -0.74 0.09 0.00 0.00 178.44 178.42 3bmo h HIS 24 N 0.48 0.57 -0.44 1.13 2.76 -0.69 -1.31 115.15 117.65 3bmo h HIS 24 Ca 0.16 0.01 0.05 0.00 -2.20 0.00 0.00 60.37 58.39 3bmo h HIS 24 Cb 0.01 -0.19 -0.02 0.00 1.55 0.00 0.00 27.41 28.76 3bmo h HIS 24 CO -0.07 0.35 0.29 1.96 -1.30 0.00 0.00 177.93 179.16 3bmo h GLN 25 N 0.61 0.40 0.00 5.26 4.20 -0.64 -0.51 115.11 124.43 3bmo h GLN 25 Ca 0.18 -0.02 0.00 0.00 0.06 0.00 0.00 58.65 58.86 3bmo h GLN 25 Cb -0.04 -0.09 0.00 0.00 0.30 0.00 0.00 27.48 27.65 3bmo h GLN 25 CO -0.06 0.27 0.00 2.41 -0.67 0.00 0.00 178.83 180.78 3bmo n THR 26 N -4.48 0.68 0.00 -0.54 -1.04 -0.40 -4.91 114.28 103.59 3bmo n THR 26 Ca 0.05 0.04 0.00 0.00 -2.04 0.00 0.00 64.05 62.10 3bmo n THR 26 Cb 0.20 -0.88 0.00 0.00 -1.82 0.00 0.00 70.33 67.83 3bmo n THR 26 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3bmo n GLY 27 N 0.59 0.94 3.79 3.41 0.00 -0.20 -5.09 105.19 108.63 3bmo n GLY 27 Ca 0.04 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.70 3bmo n GLY 27 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3bmo s TYR 28 N -2.00 3.27 0.24 1.61 1.51 -0.55 -4.38 117.35 117.05 3bmo s TYR 28 Ca 0.00 1.64 -0.20 0.00 -1.01 0.00 0.00 57.07 57.50 3bmo s TYR 28 Cb 0.00 -3.08 -0.08 0.00 -0.11 0.00 0.00 41.96 38.68 3bmo s TYR 28 CO 0.00 -0.55 0.75 1.03 -1.11 0.00 0.00 175.55 175.67 3bmo s ARG 29 N -2.60 4.27 -0.02 -0.62 0.52 -0.18 -4.15 118.95 116.16 3bmo s ARG 29 Ca 0.59 0.90 0.03 0.00 -0.52 0.00 0.00 55.73 56.73 3bmo s ARG 29 Cb -0.20 -2.84 -0.00 0.00 0.52 0.00 0.00 34.95 32.43 3bmo s ARG 29 CO 0.25 0.36 -0.12 0.08 0.02 0.00 0.00 175.30 175.90 3bmo s VAL 30 N -1.57 0.96 -0.30 3.52 1.01 0.15 -0.60 120.40 123.58 3bmo s VAL 30 Ca 0.45 -0.48 -0.16 0.00 0.00 0.00 0.00 61.98 61.79 3bmo s VAL 30 Cb -0.16 -0.84 -0.02 0.00 0.00 0.00 0.00 36.38 35.36 3bmo s VAL 30 CO 0.21 0.29 0.41 -0.69 0.00 0.00 0.00 175.10 175.32 3bmo s VAL 31 N 0.03 5.13 -0.73 2.92 1.01 0.60 -1.74 120.40 127.62 3bmo s VAL 31 Ca -0.01 0.43 -0.18 0.00 0.00 0.00 0.00 61.98 62.22 3bmo s VAL 31 Cb -0.08 -3.80 0.13 0.00 0.00 0.00 0.00 36.38 32.64 3bmo s VAL 31 CO 0.01 0.01 0.83 -0.63 0.00 0.00 0.00 175.10 175.32 3bmo s ILE 32 N 2.15 4.95 0.38 2.22 1.01 0.76 -1.65 121.20 131.03 3bmo s ILE 32 Ca 0.16 -1.43 -0.24 0.00 0.00 0.00 0.00 60.65 59.13 3bmo s ILE 32 Cb -0.16 -4.57 -0.10 0.00 0.01 0.00 0.00 42.46 37.65 3bmo s ILE 32 CO 0.11 -1.21 1.00 -2.28 0.00 0.00 0.00 174.94 172.56 3bmo s HIS 33 N 2.20 3.39 0.20 3.97 5.65 -0.73 -1.37 115.29 128.60 3bmo s HIS 33 Ca 0.18 1.68 -0.12 0.00 0.25 0.00 0.00 55.06 57.05 3bmo s HIS 33 Cb -0.16 -3.01 0.00 0.00 -1.18 0.00 0.00 32.58 28.23 3bmo s HIS 33 CO -0.01 -0.28 0.41 1.52 -0.65 0.00 0.00 174.74 175.73 3bmo s TYR 34 N -1.75 0.27 0.00 3.88 1.13 -0.72 -0.92 117.35 119.23 3bmo s TYR 34 Ca 0.57 -0.62 0.00 0.00 -1.41 0.00 0.00 57.07 55.61 3bmo s TYR 34 Cb -0.18 0.14 0.00 0.00 -1.10 0.00 0.00 41.96 40.81 3bmo s TYR 34 CO 0.23 -0.87 0.00 1.58 -2.51 0.00 0.00 175.55 173.99 3bmo n HIS 35 N -0.31 0.00 0.09 -3.49 -0.00 -1.26 -1.22 115.22 109.04 3bmo n HIS 35 Ca -0.06 0.00 0.10 0.00 0.46 0.00 0.00 57.72 58.23 3bmo n HIS 35 Cb 0.62 0.00 -0.16 0.00 -0.12 0.00 0.00 29.99 30.34 3bmo n HIS 35 CO 0.00 0.00 0.00 0.09 0.46 0.00 0.00 176.34 176.89 3bmo n ASN 36 N -2.39 0.33 -3.63 0.26 5.03 -1.26 -4.74 115.26 108.86 3bmo n ASN 36 Ca 0.00 -0.11 -0.41 0.00 0.87 0.00 0.00 54.58 54.93 3bmo n ASN 36 Cb 0.00 1.85 0.00 0.00 -1.02 0.00 0.00 39.78 40.61 3bmo n ASN 36 CO 0.00 0.00 0.00 -1.20 -1.83 0.00 0.00 177.26 174.23 3bmo n SER 37 N -2.14 7.02 -0.06 6.41 7.64 -1.26 -4.74 113.62 126.49 3bmo n SER 37 Ca -0.03 -3.18 -0.11 0.00 1.01 0.00 0.00 58.87 56.56 3bmo n SER 37 Cb 0.52 -1.38 -0.05 0.00 -1.01 0.00 0.00 64.21 62.29 3bmo n SER 37 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3bmo h ALA 38 N 4.97 0.27 -0.24 -0.43 0.00 -1.97 -0.90 119.26 120.95 3bmo h ALA 38 Ca 0.57 -0.17 0.02 0.00 0.00 0.00 0.00 54.91 55.33 3bmo h ALA 38 Cb 0.42 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.11 3bmo h ALA 38 CO 1.50 -0.07 0.12 1.49 0.00 0.00 0.00 179.25 182.29 3bmo h GLU 39 N 0.13 0.24 -0.75 0.00 4.57 -2.00 -1.04 114.58 115.74 3bmo h GLU 39 Ca 0.06 -0.01 -0.03 0.00 -1.18 0.00 0.00 59.36 58.20 3bmo h GLU 39 Cb 0.30 -0.06 -0.03 0.00 -0.16 0.00 0.00 28.75 28.80 3bmo h GLU 39 CO 0.00 0.16 0.36 0.00 -1.18 0.00 0.00 179.01 178.36 3bmo h ALA 40 N 1.13 0.97 -0.07 2.92 0.00 -1.88 -1.18 119.26 121.14 3bmo h ALA 40 Ca 0.10 -0.15 -0.00 0.00 0.00 0.00 0.00 54.91 54.86 3bmo h ALA 40 Cb 0.03 -0.30 -0.00 0.00 0.00 0.00 0.00 17.79 17.52 3bmo h ALA 40 CO -0.07 0.53 0.03 0.00 0.00 0.00 0.00 179.25 179.74 3bmo h ALA 41 N 1.18 0.09 -0.55 0.00 0.00 -0.82 -1.03 119.26 118.14 3bmo h ALA 41 Ca 0.26 -0.07 -0.09 0.00 0.00 0.00 0.00 54.91 55.02 3bmo h ALA 41 Cb 0.12 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 3bmo h ALA 41 CO -0.03 -0.35 -0.01 0.28 0.00 0.00 0.00 179.25 179.14 3bmo h VAL 42 N -0.00 1.26 -0.44 0.00 2.07 -1.15 -0.96 116.25 117.03 3bmo h VAL 42 Ca 0.02 -1.10 0.01 0.00 0.82 0.00 0.00 66.70 66.45 3bmo h VAL 42 Cb 0.11 0.85 -0.02 0.00 -1.52 0.00 0.00 31.29 30.70 3bmo h VAL 42 CO -0.00 0.39 0.28 -1.28 0.02 0.00 0.00 177.57 176.98 3bmo h SER 43 N 0.86 0.47 -0.15 0.57 0.87 -1.08 -0.48 113.55 114.61 3bmo h SER 43 Ca 0.16 -0.01 -0.00 0.00 -1.23 0.00 0.00 61.79 60.71 3bmo h SER 43 Cb 0.52 -0.11 -0.01 0.00 -0.44 0.00 0.00 62.40 62.36 3bmo h SER 43 CO 0.03 0.34 0.09 0.25 -0.53 0.00 0.00 176.83 177.00 3bmo h LEU 44 N 0.57 0.19 -0.85 2.23 5.85 -0.90 -1.19 115.31 121.20 3bmo h LEU 44 Ca 0.17 -0.08 0.04 0.00 0.84 0.00 0.00 57.88 58.85 3bmo h LEU 44 Cb -0.04 -0.05 -0.05 0.00 0.37 0.00 0.00 40.66 40.89 3bmo h LEU 44 CO -0.05 0.21 0.54 0.00 -0.34 0.00 0.00 178.44 178.81 3bmo h ALA 45 N 0.99 1.13 -0.21 1.25 0.00 -0.87 -0.87 119.26 120.67 3bmo h ALA 45 Ca 0.05 -0.03 0.03 0.00 0.00 0.00 0.00 54.91 54.96 3bmo h ALA 45 Cb 0.06 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 17.54 3bmo h ALA 45 CO -0.01 0.37 0.02 -0.44 0.00 0.00 0.00 179.25 179.19 3bmo h ASP 46 N 1.05 -0.03 -0.25 0.00 3.32 -0.93 0.15 116.42 119.73 3bmo h ASP 46 Ca 0.35 0.04 0.02 0.00 0.02 0.00 0.00 57.03 57.45 3bmo h ASP 46 Cb 0.04 0.06 -0.02 0.00 0.22 0.00 0.00 39.33 39.63 3bmo h ASP 46 CO -0.13 0.01 0.11 -0.08 -1.72 0.00 0.00 179.24 177.43 3bmo h GLU 47 N 0.10 0.23 -0.45 3.56 4.81 -0.61 -0.43 114.58 121.78 3bmo h GLU 47 Ca 0.10 -0.01 -0.05 0.00 -0.13 0.00 0.00 59.36 59.27 3bmo h GLU 47 Cb 0.11 -0.05 -0.02 0.00 0.63 0.00 0.00 28.75 29.42 3bmo h GLU 47 CO -0.15 0.15 0.09 -0.07 -0.73 0.00 0.00 179.01 178.30 3bmo h LEU 48 N 0.24 0.70 -1.29 1.64 3.38 -0.94 -2.55 115.31 116.49 3bmo h LEU 48 Ca 0.10 -0.25 -0.07 0.00 0.09 0.00 0.00 57.88 57.75 3bmo h LEU 48 Cb 0.05 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.60 3bmo h LEU 48 CO -0.09 0.77 -0.36 0.78 0.09 0.00 0.00 178.44 179.64 3bmo h ASN 49 N 0.61 0.00 -0.59 -0.43 2.35 -0.58 -1.24 115.58 115.69 3bmo h ASN 49 Ca 0.14 0.00 -0.06 0.00 -0.55 0.00 0.00 56.30 55.83 3bmo h ASN 49 Cb 0.36 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 38.70 3bmo h ASN 49 CO 0.01 0.36 0.14 0.50 -1.65 0.00 0.00 177.43 176.78 3bmo h LYS 50 N 0.00 0.99 0.02 0.81 3.64 -0.87 -2.30 116.57 118.86 3bmo h LYS 50 Ca -0.00 -0.23 -0.00 0.00 -1.27 0.00 0.00 60.65 59.15 3bmo h LYS 50 Cb 0.63 -0.14 0.00 0.00 -0.41 0.00 0.00 32.23 32.31 3bmo h LYS 50 CO 0.05 0.89 -0.01 1.49 -2.27 0.00 0.00 179.45 179.59 3bmo h GLU 51 N 0.94 -0.03 -3.26 1.90 4.57 -1.01 -3.43 114.58 114.26 3bmo h GLU 51 Ca 0.20 0.00 -0.43 0.00 -1.18 0.00 0.00 59.36 57.95 3bmo h GLU 51 Cb 0.35 0.01 -0.40 0.00 -0.16 0.00 0.00 28.75 28.55 3bmo h GLU 51 CO 0.00 0.35 -0.75 1.03 -1.18 0.00 0.00 179.01 178.46 3bmo s ARG 52 N -4.66 0.13 0.48 1.92 0.52 -0.52 -5.13 118.95 111.69 3bmo s ARG 52 Ca -0.15 0.07 -0.24 0.00 -0.52 0.00 0.00 55.73 54.89 3bmo s ARG 52 Cb 0.03 -1.30 -0.07 0.00 0.52 0.00 0.00 34.95 34.13 3bmo s ARG 52 CO 0.66 -0.51 1.37 0.45 0.02 0.00 0.00 175.30 177.29 3bmo s SER 53 N 2.10 5.74 -1.13 0.23 0.15 -0.87 -3.28 113.70 116.63 3bmo s SER 53 Ca 0.03 2.79 -0.05 0.00 0.70 0.00 0.00 55.95 59.42 3bmo s SER 53 Cb -0.14 -2.64 0.01 0.00 -1.71 0.00 0.00 66.02 61.53 3bmo s SER 53 CO -0.06 -1.26 0.72 0.59 1.20 0.00 0.00 173.24 174.43 3bmo n ASN 54 N -0.46 -5.30 -0.01 5.45 3.02 -1.26 -4.92 115.26 111.78 3bmo n ASN 54 Ca 0.07 -0.33 0.00 0.00 -0.03 0.00 0.00 54.58 54.29 3bmo n ASN 54 Cb 0.44 -4.01 0.00 0.00 -0.61 0.00 0.00 39.78 35.59 3bmo n ASN 54 CO 0.00 0.00 0.00 0.35 -2.62 0.00 0.00 177.26 174.99 3bmo n THR 55 N -4.36 0.14 -3.79 3.41 -2.24 -1.21 -5.03 114.28 101.21 3bmo n THR 55 Ca -0.04 -0.57 -0.13 0.00 -2.27 0.00 0.00 64.05 61.05 3bmo n THR 55 Cb 0.57 0.94 -0.12 0.00 -2.10 0.00 0.00 70.33 69.61 3bmo n THR 55 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3bmo s ALA 56 N -0.16 -0.47 0.10 6.98 0.00 -1.26 -0.67 121.76 126.28 3bmo s ALA 56 Ca 0.00 0.64 0.02 0.00 0.00 0.00 0.00 51.96 52.62 3bmo s ALA 56 Cb 0.00 -0.39 -0.04 0.00 0.00 0.00 0.00 23.12 22.70 3bmo s ALA 56 CO 0.00 -0.12 -0.06 0.14 0.00 0.00 0.00 175.76 175.73 3bmo s VAL 57 N 0.40 0.68 0.18 0.00 -7.23 -0.71 -4.90 120.40 108.83 3bmo s VAL 57 Ca -0.02 -1.94 0.05 0.00 -1.81 0.00 0.00 61.98 58.26 3bmo s VAL 57 Cb -0.04 -1.70 -0.04 0.00 0.56 0.00 0.00 36.38 35.16 3bmo s VAL 57 CO -0.02 -0.86 0.16 0.68 -0.31 0.00 0.00 175.10 174.76 3bmo s VAL 58 N -3.63 4.56 -0.15 1.32 -7.23 -1.26 -0.17 120.40 113.83 3bmo s VAL 58 Ca 0.12 -1.12 -0.04 0.00 -1.81 0.00 0.00 61.98 59.14 3bmo s VAL 58 Cb 0.05 -3.36 0.08 0.00 0.56 0.00 0.00 36.38 33.71 3bmo s VAL 58 CO -0.04 -0.16 0.25 0.00 -0.31 0.00 0.00 175.10 174.83 3bmo s GLN 60 N 2.39 4.42 -0.25 0.00 -0.44 -1.26 -1.76 119.66 122.76 3bmo s GLN 60 Ca 0.04 0.93 -0.26 0.00 -2.50 0.00 0.00 55.36 53.57 3bmo s GLN 60 Cb -0.13 -3.33 0.10 0.00 -1.64 0.00 0.00 33.01 28.00 3bmo s GLN 60 CO -0.10 0.37 0.88 0.00 0.50 0.00 0.00 175.29 176.95 3bmo s ALA 61 N -0.31 -1.88 -0.11 1.58 0.00 -0.36 -4.94 121.76 115.74 3bmo s ALA 61 Ca 0.35 1.87 -0.23 0.00 0.00 0.00 0.00 51.96 53.94 3bmo s ALA 61 Cb -0.20 -1.16 -0.03 0.00 0.00 0.00 0.00 23.12 21.73 3bmo s ALA 61 CO 0.21 -0.29 0.72 0.34 0.00 0.00 0.00 175.76 176.74 3bmo s ASP 62 N 0.06 6.94 -0.07 0.00 -1.08 -1.26 -4.19 116.67 117.06 3bmo s ASP 62 Ca 0.00 1.14 0.17 0.00 -0.52 0.00 0.00 52.55 53.34 3bmo s ASP 62 Cb -0.04 -2.41 0.59 0.00 -1.46 0.00 0.00 42.92 39.59 3bmo s ASP 62 CO -0.02 -0.20 1.50 0.18 0.52 0.00 0.00 175.17 177.16 3bmo n LEU 63 N 4.27 4.08 -4.74 -1.34 4.77 -1.26 -4.94 117.00 117.85 3bmo n LEU 63 Ca -0.00 -2.33 -0.41 0.00 -0.03 0.00 0.00 56.01 53.23 3bmo n LEU 63 Cb 0.51 -0.48 0.00 0.00 -2.33 0.00 0.00 43.42 41.12 3bmo n LEU 63 CO 0.47 0.81 1.01 0.41 -1.33 0.00 0.00 177.39 178.76 3bmo n THR 64 N 0.87 2.14 -2.07 -5.08 -1.04 -1.26 -3.06 114.28 104.78 3bmo n THR 64 Ca 0.22 -0.50 -0.41 0.00 -2.04 0.00 0.00 64.05 61.31 3bmo n THR 64 Cb 0.73 -1.76 -0.02 0.00 -1.82 0.00 0.00 70.33 67.46 3bmo n THR 64 CO 0.00 0.00 0.00 0.21 -0.64 0.00 0.00 175.07 174.64 3bmo s ASN 65 N -0.28 6.72 0.20 8.00 2.47 -0.15 -4.69 114.94 127.21 3bmo s ASN 65 Ca 0.56 2.62 -0.22 0.00 0.42 0.00 0.00 52.86 56.23 3bmo s ASN 65 Cb -0.51 -2.63 0.07 0.00 -1.45 0.00 0.00 41.25 36.73 3bmo s ASN 65 CO 0.62 -0.63 0.99 -0.94 -3.72 0.00 0.00 177.10 173.41 3bmo s SER 66 N 0.19 -0.05 0.15 -4.21 1.04 -1.26 -4.83 113.70 104.73 3bmo s SER 66 Ca 0.57 -0.65 0.18 0.00 0.48 0.00 0.00 55.95 56.53 3bmo s SER 66 Cb -0.40 0.54 0.79 0.00 0.10 0.00 0.00 66.02 67.04 3bmo s SER 66 CO 0.44 -1.05 1.56 0.59 0.98 0.00 0.00 173.24 175.76 3bmo n ASN 67 N -1.01 0.37 -0.77 7.02 3.02 -1.26 -2.14 115.26 120.49 3bmo n ASN 67 Ca -0.05 0.61 0.10 0.00 -0.03 0.00 0.00 54.58 55.21 3bmo n ASN 67 Cb 0.60 -0.68 0.07 0.00 -0.61 0.00 0.00 39.78 39.16 3bmo n ASN 67 CO 0.00 0.00 0.00 1.33 -2.62 0.00 0.00 177.26 175.97 3bmo n VAL 68 N -1.92 0.00 -0.26 2.41 0.24 -1.26 -4.53 118.33 113.01 3bmo n VAL 68 Ca 0.02 -0.47 -0.00 0.00 -2.04 0.00 0.00 64.34 61.85 3bmo n VAL 68 Cb 0.17 1.40 0.12 0.00 -1.47 0.00 0.00 33.84 34.05 3bmo n VAL 68 CO 0.00 0.00 0.00 0.25 -2.14 0.00 0.00 176.83 174.94 3bmo h LEU 69 N 3.77 0.65 -0.70 1.34 5.85 -1.71 -1.30 115.31 123.21 3bmo h LEU 69 Ca 0.00 0.03 0.09 0.00 0.84 0.00 0.00 57.88 58.83 3bmo h LEU 69 Cb 0.83 -0.10 -0.07 0.00 0.37 0.00 0.00 40.66 41.69 3bmo h LEU 69 CO 0.00 0.41 0.35 -0.65 -0.34 0.00 0.00 178.44 178.22 3bmo h PRO 70 N 0.78 0.60 -0.87 5.25 0.11 -1.79 -0.43 132.00 135.64 3bmo h PRO 70 Ca 0.33 -0.04 -0.02 0.00 0.11 0.00 0.00 66.00 66.39 3bmo h PRO 70 Cb 0.20 -0.13 -0.04 0.00 0.11 0.00 0.00 31.00 31.13 3bmo h PRO 70 CO -0.19 0.39 0.47 0.00 -0.21 0.00 0.00 178.00 178.47 3bmo h ALA 71 N 1.41 1.12 -0.57 -0.75 0.00 -1.61 -0.44 119.26 118.42 3bmo h ALA 71 Ca 0.34 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 55.10 3bmo h ALA 71 Cb 0.33 -0.35 -0.03 0.00 0.00 0.00 0.00 17.79 17.74 3bmo h ALA 71 CO -0.25 0.63 0.30 0.77 0.00 0.00 0.00 179.25 180.70 3bmo h SER 72 N 1.22 0.72 -0.40 0.00 0.02 -0.42 -1.17 113.55 113.52 3bmo h SER 72 Ca 0.31 -0.10 -0.10 0.00 -0.84 0.00 0.00 61.79 61.06 3bmo h SER 72 Cb 0.03 -0.18 -0.01 0.00 0.14 0.00 0.00 62.40 62.38 3bmo h SER 72 CO -0.05 0.62 -0.13 0.00 -1.14 0.00 0.00 176.83 176.13 3bmo h GLU 74 N 0.59 0.98 -0.59 0.00 4.81 -0.93 -2.59 114.58 116.86 3bmo h GLU 74 Ca 0.10 -0.06 -0.09 0.00 -0.13 0.00 0.00 59.36 59.18 3bmo h GLU 74 Cb 0.66 -0.22 -0.02 0.00 0.63 0.00 0.00 28.75 29.80 3bmo h GLU 74 CO 0.04 0.65 0.01 1.49 -0.73 0.00 0.00 179.01 180.48 3bmo h GLU 75 N 1.01 1.03 -0.07 1.92 4.57 -0.73 0.92 114.58 123.23 3bmo h GLU 75 Ca 0.45 -0.32 0.02 0.00 -1.18 0.00 0.00 59.36 58.33 3bmo h GLU 75 Cb 0.35 -0.10 -0.02 0.00 -0.16 0.00 0.00 28.75 28.83 3bmo h GLU 75 CO -0.23 1.01 -0.04 0.82 -1.18 0.00 0.00 179.01 179.39 3bmo h ILE 76 N 0.92 0.87 -0.36 2.32 2.04 -1.03 0.11 117.51 122.39 3bmo h ILE 76 Ca 0.17 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 66.01 3bmo h ILE 76 Cb 0.53 0.87 -0.02 0.00 -0.74 0.00 0.00 36.82 37.47 3bmo h ILE 76 CO 0.03 0.00 0.16 0.40 0.00 0.00 0.00 178.15 178.74 3bmo h ILE 77 N -0.04 1.18 -0.72 -0.67 1.08 -1.29 -2.48 117.51 114.57 3bmo h ILE 77 Ca 0.04 -0.53 0.09 0.00 -0.39 0.00 0.00 64.86 64.07 3bmo h ILE 77 Cb 0.10 0.86 -0.05 0.00 -3.07 0.00 0.00 36.82 34.66 3bmo h ILE 77 CO -0.10 0.19 0.48 0.78 -0.69 0.00 0.00 178.15 178.81 3bmo h ASN 78 N 0.44 0.57 -0.02 1.72 2.35 -0.43 -1.57 115.58 118.64 3bmo h ASN 78 Ca 0.12 0.01 -0.08 0.00 -0.55 0.00 0.00 56.30 55.81 3bmo h ASN 78 Cb 0.16 -0.11 -0.01 0.00 0.05 0.00 0.00 38.32 38.41 3bmo h ASN 78 CO -0.01 0.34 -0.21 0.28 -1.65 0.00 0.00 177.43 176.19 3bmo h SER 79 N 0.63 0.38 -0.23 5.81 0.02 -0.32 0.26 113.55 120.11 3bmo h SER 79 Ca 0.33 -0.11 -0.02 0.00 -0.84 0.00 0.00 61.79 61.15 3bmo h SER 79 Cb 0.45 -0.10 -0.01 0.00 0.14 0.00 0.00 62.40 62.88 3bmo h SER 79 CO -0.12 0.60 0.05 0.00 -1.14 0.00 0.00 176.83 176.23 3bmo h PHE 81 N 0.19 1.10 -0.52 0.00 -1.00 -1.09 0.12 116.94 115.74 3bmo h PHE 81 Ca 0.07 -0.14 -0.02 0.00 2.81 0.00 0.00 57.97 60.69 3bmo h PHE 81 Cb 0.28 -0.31 -0.02 0.00 3.61 0.00 0.00 35.95 39.51 3bmo h PHE 81 CO 0.01 0.92 0.25 0.00 -1.61 0.00 0.00 178.31 177.89 3bmo h ARG 82 N 0.98 0.75 -0.12 1.51 3.08 -0.42 0.20 114.38 120.37 3bmo h ARG 82 Ca 0.20 -0.11 -0.14 0.00 0.07 0.00 0.00 59.98 60.00 3bmo h ARG 82 Cb 0.40 -0.14 0.01 0.00 0.08 0.00 0.00 29.97 30.32 3bmo h ARG 82 CO 0.01 0.62 -0.49 0.00 -1.07 0.00 0.00 179.97 179.04 3bmo h ALA 83 N 1.09 0.21 0.00 0.04 0.00 -1.19 -3.40 119.26 116.02 3bmo h ALA 83 Ca 0.18 -0.50 0.00 0.00 0.00 0.00 0.00 54.91 54.59 3bmo h ALA 83 Cb 0.11 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.89 3bmo h ALA 83 CO -0.02 0.39 -0.01 1.19 0.00 0.00 0.00 179.25 180.79 3bmo n PHE 84 N -4.23 0.00 -0.99 0.00 3.72 0.02 -5.03 117.46 110.95 3bmo n PHE 84 Ca -0.08 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.32 3bmo n PHE 84 Cb 0.59 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.13 3bmo n PHE 84 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3bmo n GLY 85 N 0.80 0.47 3.61 1.37 0.00 0.69 -4.95 105.19 107.18 3bmo n GLY 85 Ca 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.96 3bmo n GLY 85 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3bmo s ARG 86 N -0.34 1.00 -0.26 1.61 1.70 -1.26 -4.95 118.95 116.45 3bmo s ARG 86 Ca 0.00 -0.46 -0.01 0.00 -0.47 0.00 0.00 55.73 54.79 3bmo s ARG 86 Cb 0.00 0.40 0.14 0.00 -0.57 0.00 0.00 34.95 34.92 3bmo s ARG 86 CO 0.00 -0.45 0.37 0.00 -1.08 0.00 0.00 175.30 174.14 3bmo n ASP 88 N 5.35 0.45 -3.89 0.00 9.92 0.58 -4.97 116.55 124.00 3bmo n ASP 88 Ca -0.02 0.15 -0.15 0.00 -0.53 0.00 0.00 54.79 54.24 3bmo n ASP 88 Cb 0.49 0.51 -0.15 0.00 -0.64 0.00 0.00 41.12 41.34 3bmo n ASP 88 CO 0.00 0.00 0.00 -0.69 0.13 0.00 0.00 177.20 176.64 3bmo s VAL 89 N -2.53 0.21 -0.12 2.53 1.01 -0.93 -1.61 120.40 118.96 3bmo s VAL 89 Ca -0.09 -0.05 0.02 0.00 0.00 0.00 0.00 61.98 61.86 3bmo s VAL 89 Cb 0.07 -0.22 0.01 0.00 0.00 0.00 0.00 36.38 36.24 3bmo s VAL 89 CO 0.82 0.09 -0.19 -0.22 0.00 0.00 0.00 175.10 175.60 3bmo s LEU 90 N 0.29 1.92 -0.27 3.92 2.96 -0.88 -0.77 118.68 125.87 3bmo s LEU 90 Ca -0.03 -0.51 -0.02 0.00 -0.22 0.00 0.00 54.13 53.36 3bmo s LEU 90 Cb -0.05 -1.26 0.03 0.00 0.50 0.00 0.00 46.19 45.41 3bmo s LEU 90 CO -0.01 0.06 -0.04 -0.69 -1.32 0.00 0.00 176.35 174.36 3bmo s VAL 91 N 0.80 2.93 -0.83 1.68 1.01 0.61 -0.92 120.40 125.68 3bmo s VAL 91 Ca -0.09 -1.14 -0.19 0.00 0.00 0.00 0.00 61.98 60.56 3bmo s VAL 91 Cb -0.16 -2.55 0.13 0.00 0.00 0.00 0.00 36.38 33.80 3bmo s VAL 91 CO 0.00 0.10 1.00 0.20 0.00 0.00 0.00 175.10 176.40 3bmo s ASN 92 N 1.30 6.51 -0.12 3.32 0.01 0.02 -1.68 114.94 124.30 3bmo s ASN 92 Ca -0.02 -1.87 0.04 0.00 -0.71 0.00 0.00 52.86 50.30 3bmo s ASN 92 Cb -0.18 -2.37 -0.10 0.00 0.41 0.00 0.00 41.25 39.02 3bmo s ASN 92 CO -0.03 -1.08 -0.07 -3.20 -1.51 0.00 0.00 177.10 171.21 3bmo n ASN 93 N 6.41 2.80 -4.66 -1.22 5.15 -1.26 -0.95 115.26 121.54 3bmo n ASN 93 Ca 0.14 -0.05 -0.42 0.00 -0.60 0.00 0.00 54.58 53.65 3bmo n ASN 93 Cb 0.47 0.10 0.01 0.00 -0.53 0.00 0.00 39.78 39.83 3bmo n ASN 93 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3bmo n ALA 94 N -2.72 0.75 -3.64 5.20 0.00 -1.14 -4.89 120.51 114.08 3bmo n ALA 94 Ca -0.21 0.28 -0.04 0.00 0.00 0.00 0.00 53.44 53.47 3bmo n ALA 94 Cb 0.78 -2.18 -0.07 0.00 0.00 0.00 0.00 19.45 17.99 3bmo n ALA 94 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 3bmo s SER 95 N -0.57 -0.73 0.12 0.00 0.15 -1.26 -4.52 113.70 106.89 3bmo s SER 95 Ca 0.60 1.16 -0.22 0.00 0.70 0.00 0.00 55.95 58.20 3bmo s SER 95 Cb -0.56 1.34 -0.07 0.00 -1.71 0.00 0.00 66.02 65.02 3bmo s SER 95 CO 0.59 -0.18 0.66 0.00 1.20 0.00 0.00 173.24 175.50 3bmo s ALA 96 N 1.56 3.53 -0.21 5.45 0.00 -1.26 -5.05 121.76 125.77 3bmo s ALA 96 Ca -0.09 0.17 -0.04 0.00 0.00 0.00 0.00 51.96 52.00 3bmo s ALA 96 Cb -0.05 -2.77 0.10 0.00 0.00 0.00 0.00 23.12 20.41 3bmo s ALA 96 CO -0.17 0.36 0.27 0.12 0.00 0.00 0.00 175.76 176.33 3bmo s PHE 97 N -1.15 -0.44 -0.13 0.00 5.36 -1.26 -4.85 117.98 115.51 3bmo s PHE 97 Ca 0.32 0.44 -0.30 0.00 -0.96 0.00 0.00 56.93 56.43 3bmo s PHE 97 Cb -0.21 -0.23 0.13 0.00 -0.34 0.00 0.00 43.02 42.37 3bmo s PHE 97 CO 0.22 -0.62 1.02 1.52 -1.46 0.00 0.00 175.22 175.91 3bmo s TYR 98 N 2.39 -0.31 0.58 10.12 -0.85 -1.26 -5.16 117.35 122.86 3bmo s TYR 98 Ca 0.08 0.41 -0.18 0.00 -0.52 0.00 0.00 57.07 56.86 3bmo s TYR 98 Cb -0.15 0.48 -0.04 0.00 0.38 0.00 0.00 41.96 42.63 3bmo s TYR 98 CO -0.13 -0.35 1.11 -1.25 -1.52 0.00 0.00 175.55 173.41 3bmo s PRO 99 N -1.77 3.23 -0.41 -3.49 0.04 -1.26 -4.73 135.00 126.61 3bmo s PRO 99 Ca 0.02 1.50 0.05 0.00 0.04 0.00 0.00 61.00 62.61 3bmo s PRO 99 Cb -0.01 -2.00 0.19 0.00 0.04 0.00 0.00 34.50 32.72 3bmo s PRO 99 CO -0.03 -0.93 0.38 0.25 0.04 0.00 0.00 177.00 176.72 3bmo n THR 100 N -1.64 -1.09 -1.74 1.26 -2.24 0.71 -4.99 114.28 104.54 3bmo n THR 100 Ca 0.11 -3.57 -0.38 0.00 -2.27 0.00 0.00 64.05 57.94 3bmo n THR 100 Cb 0.51 -1.73 0.05 0.00 -2.10 0.00 0.00 70.33 67.06 3bmo n THR 100 CO 0.00 0.00 0.00 -2.65 -0.57 0.00 0.00 175.07 171.85 3bmo n PRO 101 N 2.49 1.64 0.14 -0.78 -0.02 -1.23 -4.39 135.00 132.84 3bmo n PRO 101 Ca 0.28 0.61 0.01 0.00 -2.02 0.00 0.00 63.50 62.38 3bmo n PRO 101 Cb 0.49 -2.58 0.09 0.00 -0.02 0.00 0.00 33.50 31.49 3bmo n PRO 101 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 3bmo h LEU 102 N 1.34 0.00 -4.59 2.45 3.38 -2.01 -3.51 115.31 112.37 3bmo h LEU 102 Ca -0.51 0.00 -0.50 0.00 0.09 0.00 0.00 57.88 56.96 3bmo h LEU 102 Cb 1.31 0.00 -0.41 0.00 0.09 0.00 0.00 40.66 41.64 3bmo h LEU 102 CO 0.57 0.58 -0.90 0.52 0.09 0.00 0.00 178.44 179.30 3bmo n VAL 103 N -3.38 1.96 -0.76 1.22 0.31 -1.26 -5.26 118.33 111.15 3bmo n VAL 103 Ca 0.01 -4.18 -0.19 0.00 -0.01 0.00 0.00 64.34 59.96 3bmo n VAL 103 Cb 0.71 -0.55 0.13 0.00 -0.91 0.00 0.00 33.84 33.22 3bmo n VAL 103 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3bmo n GLY 113 N -0.42 4.05 3.74 2.92 0.00 -1.26 -5.19 105.19 109.03 3bmo n GLY 113 Ca 0.30 -0.94 -0.41 0.00 0.00 0.00 0.00 46.02 44.96 3bmo n GLY 113 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3bmo s LYS 114 N -2.59 4.52 0.68 1.61 2.47 -1.26 -5.04 119.74 120.14 3bmo s LYS 114 Ca 0.45 1.82 -0.14 0.00 -1.56 0.00 0.00 55.97 56.54 3bmo s LYS 114 Cb 0.37 -3.25 0.01 0.00 -1.46 0.00 0.00 37.83 33.50 3bmo s LYS 114 CO 0.08 -0.04 1.09 0.95 0.16 0.00 0.00 175.35 177.59 3bmo s THR 115 N -0.11 3.44 0.36 3.43 -4.23 -1.26 -4.87 115.64 112.40 3bmo s THR 115 Ca 0.52 0.60 0.05 0.00 -1.18 0.00 0.00 61.69 61.68 3bmo s THR 115 Cb -0.31 -3.14 0.19 0.00 1.34 0.00 0.00 72.50 70.58 3bmo s THR 115 CO 0.36 -0.48 1.93 1.62 -0.54 0.00 0.00 174.62 177.51 3bmo h VAL 116 N -0.24 1.17 -0.68 2.29 3.04 -1.99 -1.15 116.25 118.70 3bmo h VAL 116 Ca -0.46 -0.62 -0.03 0.00 -1.01 0.00 0.00 66.70 64.58 3bmo h VAL 116 Cb 1.23 0.82 -0.03 0.00 -2.01 0.00 0.00 31.29 31.30 3bmo h VAL 116 CO 0.54 0.22 0.31 1.05 -1.01 0.00 0.00 177.57 178.69 3bmo h GLU 117 N 0.52 0.98 -0.61 4.17 9.09 -1.99 0.52 114.58 127.25 3bmo h GLU 117 Ca 0.12 -0.14 -0.09 0.00 0.05 0.00 0.00 59.36 59.30 3bmo h GLU 117 Cb 0.22 -0.18 -0.02 0.00 -1.65 0.00 0.00 28.75 27.12 3bmo h GLU 117 CO -0.00 0.77 0.02 1.15 0.05 0.00 0.00 179.01 180.99 3bmo h THR 118 N 0.97 1.27 -0.48 -1.06 2.02 -1.66 -0.96 112.91 113.00 3bmo h THR 118 Ca 0.24 -1.13 -0.02 0.00 0.77 0.00 0.00 66.41 66.26 3bmo h THR 118 Cb 0.12 0.78 -0.02 0.00 -1.74 0.00 0.00 68.15 67.29 3bmo h THR 118 CO -0.03 0.41 0.22 1.56 0.37 0.00 0.00 175.52 178.05 3bmo h GLN 119 N 0.97 0.70 0.03 6.66 4.20 -0.58 0.21 115.11 127.31 3bmo h GLN 119 Ca 0.18 -0.11 0.01 0.00 0.06 0.00 0.00 58.65 58.78 3bmo h GLN 119 Cb 0.54 -0.12 -0.01 0.00 0.30 0.00 0.00 27.48 28.19 3bmo h GLN 119 CO 0.03 0.61 -0.05 0.28 -0.67 0.00 0.00 178.83 179.03 3bmo h VAL 120 N 0.63 0.87 -0.76 -0.54 2.07 -0.80 -0.35 116.25 117.37 3bmo h VAL 120 Ca 0.16 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.71 3bmo h VAL 120 Cb 0.15 0.87 -0.05 0.00 -1.52 0.00 0.00 31.29 30.75 3bmo h VAL 120 CO -0.02 0.00 0.49 0.00 0.02 0.00 0.00 177.57 178.06 3bmo h ALA 121 N 0.86 1.00 -0.02 1.67 0.00 -0.82 -0.45 119.26 121.50 3bmo h ALA 121 Ca 0.01 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.87 3bmo h ALA 121 Cb 0.12 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 17.65 3bmo h ALA 121 CO -0.03 0.30 -0.06 0.93 0.00 0.00 0.00 179.25 180.38 3bmo h GLU 122 N 0.95 0.08 -0.07 0.00 5.08 -0.86 0.07 114.58 119.83 3bmo h GLU 122 Ca 0.30 -0.06 -0.10 0.00 -1.00 0.00 0.00 59.36 58.50 3bmo h GLU 122 Cb 0.00 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.27 3bmo h GLU 122 CO -0.11 0.69 -0.36 -0.07 -1.00 0.00 0.00 179.01 178.16 3bmo h LEU 123 N -0.52 0.43 -0.14 1.33 3.38 -0.97 -1.63 115.31 117.19 3bmo h LEU 123 Ca -0.00 -0.66 -0.23 0.00 0.09 0.00 0.00 57.88 57.08 3bmo h LEU 123 Cb 0.69 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.32 3bmo h LEU 123 CO 0.01 1.02 -0.97 0.40 0.09 0.00 0.00 178.44 178.99 3bmo h ILE 124 N -0.12 1.40 0.62 1.22 1.08 -1.24 -2.97 117.51 117.49 3bmo h ILE 124 Ca -0.02 -2.47 -0.03 0.00 -0.39 0.00 0.00 64.86 61.95 3bmo h ILE 124 Cb 1.01 2.45 0.01 0.00 -3.07 0.00 0.00 36.82 37.21 3bmo h ILE 124 CO 0.07 0.74 -0.30 1.23 -0.69 0.00 0.00 178.15 179.20 3bmo h GLY 125 N 1.19 -0.86 1.01 5.37 0.00 -1.17 0.38 103.07 108.99 3bmo h GLY 125 Ca -0.09 0.32 -0.09 0.00 0.00 0.00 0.00 47.33 47.47 3bmo h GLY 125 CO 0.17 -0.31 -0.07 -0.91 0.00 0.00 0.00 176.54 175.41 3bmo h THR 126 N -0.89 1.27 0.00 4.70 1.35 -1.21 0.15 112.91 118.28 3bmo h THR 126 Ca -0.08 -1.17 0.00 0.00 -0.55 0.00 0.00 66.41 64.60 3bmo h THR 126 Cb 0.66 1.10 0.00 0.00 -1.73 0.00 0.00 68.15 68.17 3bmo h THR 126 CO 0.14 0.40 -0.31 0.78 -0.25 0.00 0.00 175.52 176.29 3bmo h ASN 127 N 0.70 0.00 0.00 5.36 2.35 -1.60 -3.40 115.58 118.99 3bmo h ASN 127 Ca 0.12 -0.04 0.00 0.00 -0.55 0.00 0.00 56.30 55.83 3bmo h ASN 127 Cb 0.60 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.97 3bmo h ASN 127 CO 0.04 0.02 0.00 0.00 -1.65 0.00 0.00 177.43 175.84 3bmo n ALA 128 N -1.98 2.67 -0.06 -0.83 0.00 -0.57 -4.46 120.51 115.27 3bmo n ALA 128 Ca 0.04 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.34 3bmo n ALA 128 Cb 0.49 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.88 3bmo n ALA 128 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 3bmo h ILE 129 N 0.00 1.34 -0.14 0.00 2.04 -0.74 -1.62 117.51 118.39 3bmo h ILE 129 Ca 0.00 -1.39 0.02 0.00 1.00 0.00 0.00 64.86 64.49 3bmo h ILE 129 Cb 0.00 1.83 -0.02 0.00 -0.74 0.00 0.00 36.82 37.89 3bmo h ILE 129 CO 0.00 0.42 0.03 0.00 0.00 0.00 0.00 178.15 178.60 3bmo h ALA 130 N 0.62 0.14 -0.83 1.87 0.00 -0.94 -0.38 119.26 119.75 3bmo h ALA 130 Ca 0.03 0.03 0.17 0.00 0.00 0.00 0.00 54.91 55.13 3bmo h ALA 130 Cb 0.76 0.03 -0.11 0.00 0.00 0.00 0.00 17.79 18.47 3bmo h ALA 130 CO 0.05 -0.42 0.36 -1.35 0.00 0.00 0.00 179.25 177.89 3bmo h PRO 131 N 0.09 0.45 -0.13 0.00 0.11 -1.75 0.16 132.00 130.93 3bmo h PRO 131 Ca 0.06 -0.03 -0.00 0.00 0.11 0.00 0.00 66.00 66.15 3bmo h PRO 131 Cb 0.06 -0.10 -0.01 0.00 0.11 0.00 0.00 31.00 31.06 3bmo h PRO 131 CO -0.08 0.30 0.08 0.35 -0.21 0.00 0.00 178.00 178.43 3bmo h PHE 132 N 0.46 0.17 -0.50 0.65 3.57 -0.66 0.13 116.94 120.76 3bmo h PHE 132 Ca 0.48 -0.00 -0.08 0.00 3.53 0.00 0.00 57.97 61.89 3bmo h PHE 132 Cb 0.79 -0.06 -0.02 0.00 2.79 0.00 0.00 35.95 39.46 3bmo h PHE 132 CO -0.15 0.15 -0.02 -0.07 -2.23 0.00 0.00 178.31 176.00 3bmo h LEU 133 N 0.14 0.88 -0.99 0.59 3.38 -0.61 -0.34 115.31 118.36 3bmo h LEU 133 Ca 0.05 -0.31 -0.03 0.00 0.09 0.00 0.00 57.88 57.67 3bmo h LEU 133 Cb 0.03 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.51 3bmo h LEU 133 CO -0.01 0.98 0.31 -0.07 0.09 0.00 0.00 178.44 179.75 3bmo h LEU 134 N 0.76 0.94 -0.24 1.67 3.38 -0.63 0.38 115.31 121.57 3bmo h LEU 134 Ca 0.14 -0.12 -0.01 0.00 0.09 0.00 0.00 57.88 57.98 3bmo h LEU 134 Cb 0.54 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 41.04 3bmo h LEU 134 CO 0.03 0.82 0.11 0.74 0.09 0.00 0.00 178.44 180.23 3bmo h THR 135 N 1.02 1.14 0.00 0.22 2.02 -0.55 0.11 112.91 116.88 3bmo h THR 135 Ca 0.24 -0.41 0.03 0.00 0.77 0.00 0.00 66.41 67.04 3bmo h THR 135 Cb 0.15 0.98 -0.04 0.00 -1.74 0.00 0.00 68.15 67.50 3bmo h THR 135 CO -0.03 0.14 -0.21 0.24 0.37 0.00 0.00 175.52 176.04 3bmo h MET 136 N 0.26 -0.33 -0.55 6.66 2.86 -0.73 -0.53 114.93 122.56 3bmo h MET 136 Ca 0.08 0.02 -0.03 0.00 -2.06 0.00 0.00 59.70 57.71 3bmo h MET 136 Cb 0.12 0.07 -0.02 0.00 0.06 0.00 0.00 31.60 31.83 3bmo h MET 136 CO -0.01 -0.22 0.21 0.77 1.06 0.00 0.00 176.91 178.72 3bmo h SER 137 N -0.34 0.77 -0.28 1.22 0.02 -0.79 -0.53 113.55 113.63 3bmo h SER 137 Ca 0.06 -0.18 0.06 0.00 -0.84 0.00 0.00 61.79 60.88 3bmo h SER 137 Cb 0.41 -0.20 -0.05 0.00 0.14 0.00 0.00 62.40 62.70 3bmo h SER 137 CO -0.19 0.74 -0.06 0.15 -1.14 0.00 0.00 176.83 176.34 3bmo h PHE 138 N 0.76 -0.13 -0.35 3.45 3.04 -0.64 -1.27 116.94 121.80 3bmo h PHE 138 Ca 0.18 0.02 -0.05 0.00 3.98 0.00 0.00 57.97 62.10 3bmo h PHE 138 Cb 0.22 0.10 -0.01 0.00 2.56 0.00 0.00 35.95 38.82 3bmo h PHE 138 CO 0.01 -0.11 0.01 0.00 -2.02 0.00 0.00 178.31 176.20 3bmo h ALA 139 N 1.27 0.47 -0.39 2.41 0.00 -0.82 -2.84 119.26 119.36 3bmo h ALA 139 Ca 0.13 -0.24 -0.06 0.00 0.00 0.00 0.00 54.91 54.74 3bmo h ALA 139 Cb 0.20 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 3bmo h ALA 139 CO -0.28 0.23 -0.02 0.37 0.00 0.00 0.00 179.25 179.56 3bmo h GLN 140 N 0.43 0.64 0.00 0.00 5.75 -0.99 -1.69 115.11 119.25 3bmo h GLN 140 Ca 0.10 -0.16 -0.03 0.00 -0.15 0.00 0.00 58.65 58.41 3bmo h GLN 140 Cb 0.44 -0.08 -0.00 0.00 1.07 0.00 0.00 27.48 28.91 3bmo h GLN 140 CO 0.02 0.67 -0.15 0.00 -2.65 0.00 0.00 178.83 176.71 3bmo h ARG 141 N 0.60 0.00 -6.47 1.69 2.47 -1.13 -3.40 114.38 108.13 3bmo h ARG 141 Ca 0.12 0.00 -0.55 0.00 -1.26 0.00 0.00 59.98 58.29 3bmo h ARG 141 Cb 0.40 0.00 -0.06 0.00 -1.65 0.00 0.00 29.97 28.67 3bmo h ARG 141 CO 0.02 0.15 1.08 -0.65 0.56 0.00 0.00 179.97 181.12 3bmo s GLN 142 N -3.63 3.42 0.00 0.04 -1.52 -0.64 -4.57 119.66 112.76 3bmo s GLN 142 Ca 0.01 0.60 0.20 0.00 -1.95 0.00 0.00 55.36 54.22 3bmo s GLN 142 Cb 0.10 -4.08 0.33 0.00 -0.22 0.00 0.00 33.01 29.14 3bmo s GLN 142 CO 0.61 -1.78 1.12 1.63 -0.25 0.00 0.00 175.29 176.62 3bmo n LYS 143 N 8.42 0.00 -2.85 2.91 4.76 -1.26 -4.99 118.16 125.15 3bmo n LYS 143 Ca 0.14 -1.74 -0.02 0.00 -2.87 0.00 0.00 58.31 53.82 3bmo n LYS 143 Cb 0.49 -0.04 0.01 0.00 -1.84 0.00 0.00 35.03 33.65 3bmo n LYS 143 CO 0.00 0.00 0.00 0.20 -1.37 0.00 0.00 177.40 176.23 3bmo s GLY 144 N -1.74 -1.46 0.00 0.72 0.00 -1.26 -5.28 107.32 98.29 3bmo s GLY 144 Ca 0.26 0.23 0.00 0.00 0.00 0.00 0.00 44.72 45.20 3bmo s GLY 144 CO -0.13 3.91 0.00 -1.26 0.00 0.00 0.00 173.10 175.62 3bmo n SER 152 N 3.32 0.00 -3.42 1.64 2.88 -1.26 -5.06 113.62 111.73 3bmo n SER 152 Ca 0.13 0.00 -0.26 0.00 -1.33 0.00 0.00 58.87 57.40 3bmo n SER 152 Cb 0.59 0.00 -0.09 0.00 -0.75 0.00 0.00 64.21 63.96 3bmo n SER 152 CO 0.00 0.00 0.00 -3.20 -1.23 0.00 0.00 175.04 170.61 3bmo n ASN 153 N 3.00 0.38 -4.77 -3.46 5.15 -1.26 -5.12 115.26 109.18 3bmo n ASN 153 Ca 0.00 -2.62 -0.39 0.00 -0.60 0.00 0.00 54.58 50.97 3bmo n ASN 153 Cb 0.00 -0.61 -0.06 0.00 -0.53 0.00 0.00 39.78 38.59 3bmo n ASN 153 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 3bmo s LEU 154 N -0.58 4.44 0.19 1.20 1.43 -1.26 -4.82 118.68 119.27 3bmo s LEU 154 Ca 0.33 1.17 -0.23 0.00 -1.03 0.00 0.00 54.13 54.37 3bmo s LEU 154 Cb 0.06 -2.90 0.06 0.00 0.03 0.00 0.00 46.19 43.44 3bmo s LEU 154 CO -0.16 0.14 0.69 -0.94 0.23 0.00 0.00 176.35 176.31 3bmo s SER 155 N -0.39 -0.42 -0.03 2.29 1.04 -0.64 -2.26 113.70 113.29 3bmo s SER 155 Ca 0.30 -0.24 0.05 0.00 0.48 0.00 0.00 55.95 56.54 3bmo s SER 155 Cb -0.18 0.62 -0.01 0.00 0.10 0.00 0.00 66.02 66.55 3bmo s SER 155 CO 0.17 -1.06 -0.18 -0.63 0.98 0.00 0.00 173.24 172.52 3bmo s ILE 156 N -3.72 1.46 -0.13 -1.02 1.01 0.18 -2.06 121.20 116.92 3bmo s ILE 156 Ca 0.06 -0.76 0.01 0.00 0.00 0.00 0.00 60.65 59.96 3bmo s ILE 156 Cb -0.03 -1.24 0.02 0.00 0.01 0.00 0.00 42.46 41.22 3bmo s ILE 156 CO -0.05 0.42 -0.15 -0.69 0.00 0.00 0.00 174.94 174.47 3bmo s VAL 157 N -0.17 1.60 -0.20 2.92 1.01 -0.10 -1.10 120.40 124.36 3bmo s VAL 157 Ca 0.01 -0.67 -0.09 0.00 0.00 0.00 0.00 61.98 61.22 3bmo s VAL 157 Cb -0.10 -1.47 -0.05 0.00 0.00 0.00 0.00 36.38 34.77 3bmo s VAL 157 CO 0.01 0.46 0.11 0.20 0.00 0.00 0.00 175.10 175.88 3bmo s ASN 158 N 1.22 5.94 -0.51 3.32 0.01 -0.00 -0.80 114.94 124.11 3bmo s ASN 158 Ca -0.01 0.14 -0.26 0.00 -0.71 0.00 0.00 52.86 52.02 3bmo s ASN 158 Cb -0.14 -2.04 0.03 0.00 0.41 0.00 0.00 41.25 39.51 3bmo s ASN 158 CO -0.06 0.15 1.01 -0.76 -1.51 0.00 0.00 177.10 175.93 3bmo s LEU 159 N 0.52 3.87 0.00 0.60 2.01 -0.12 -1.35 118.68 124.21 3bmo s LEU 159 Ca 0.06 0.03 0.00 0.00 0.01 0.00 0.00 54.13 54.23 3bmo s LEU 159 Cb -0.12 -3.13 0.00 0.00 0.01 0.00 0.00 46.19 42.95 3bmo s LEU 159 CO 0.00 -1.22 0.00 0.00 1.01 0.00 0.00 176.35 176.14 3bmo s ASP 161 N -0.97 -0.86 0.52 0.00 -1.08 -1.26 -4.29 116.67 108.73 3bmo s ASP 161 Ca 0.00 1.34 0.34 0.00 -0.52 0.00 0.00 52.55 53.71 3bmo s ASP 161 Cb 0.00 1.98 1.63 0.00 -1.46 0.00 0.00 42.92 45.07 3bmo s ASP 161 CO 0.00 -0.23 2.03 0.00 0.52 0.00 0.00 175.17 177.49 3bmo h ALA 162 N 8.06 1.00 -0.57 3.66 0.00 -1.02 -2.96 119.26 127.43 3bmo h ALA 162 Ca -0.18 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.73 3bmo h ALA 162 Cb 1.11 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.90 3bmo h ALA 162 CO 0.12 0.00 0.00 -1.33 0.00 0.00 0.00 179.25 178.04 3bmo n MET 163 N -2.85 3.63 0.02 0.00 2.81 -1.26 -4.60 117.12 114.86 3bmo n MET 163 Ca -0.01 -2.61 0.10 0.00 -1.81 0.00 0.00 57.70 53.38 3bmo n MET 163 Cb 0.19 -1.90 0.54 0.00 -0.71 0.00 0.00 33.22 31.34 3bmo n MET 163 CO 0.00 0.00 0.00 -0.39 1.51 0.00 0.00 175.97 177.09 3bmo h VAL 164 N 3.67 0.94 -0.01 2.03 -1.51 -1.92 -0.19 116.25 119.25 3bmo h VAL 164 Ca 0.00 -0.10 0.00 0.00 -1.23 0.00 0.00 66.70 65.37 3bmo h VAL 164 Cb 1.41 0.61 0.00 0.00 -2.13 0.00 0.00 31.29 31.19 3bmo h VAL 164 CO 0.25 0.06 -0.13 0.47 -1.23 0.00 0.00 177.57 176.99 3bmo n ASP 165 N -4.47 1.34 -3.19 4.19 8.00 -1.26 -4.26 116.55 116.89 3bmo n ASP 165 Ca 0.06 -1.23 -0.22 0.00 0.71 0.00 0.00 54.79 54.11 3bmo n ASP 165 Cb 0.27 0.07 -0.05 0.00 -0.02 0.00 0.00 41.12 41.39 3bmo n ASP 165 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3bmo n GLN 166 N -0.17 1.07 -1.66 -1.24 6.02 -0.11 -5.13 117.38 116.15 3bmo n GLN 166 Ca 0.15 -3.47 -0.31 0.00 -0.01 0.00 0.00 57.00 53.37 3bmo n GLN 166 Cb 0.36 -1.55 0.05 0.00 1.02 0.00 0.00 30.24 30.13 3bmo n GLN 166 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 177.06 174.80 3bmo s PRO 167 N -1.93 2.83 0.31 -1.09 0.04 -1.05 -4.88 135.00 129.23 3bmo s PRO 167 Ca 0.38 0.77 -0.29 0.00 0.04 0.00 0.00 61.00 61.90 3bmo s PRO 167 Cb 0.25 -1.99 -0.11 0.00 0.04 0.00 0.00 34.50 32.69 3bmo s PRO 167 CO -0.09 -1.12 1.54 0.00 0.04 0.00 0.00 177.00 177.37 3bmo n MET 169 N 1.77 2.29 -1.57 0.00 1.56 -1.26 -2.62 117.12 117.29 3bmo n MET 169 Ca 0.06 0.82 -0.10 0.00 -0.27 0.00 0.00 57.70 58.21 3bmo n MET 169 Cb 0.38 -2.58 -0.03 0.00 2.15 0.00 0.00 33.22 33.14 3bmo n MET 169 CO 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 175.97 175.24 3bmo n ALA 170 N 2.93 -0.20 -1.85 -5.12 0.00 -1.26 -4.94 120.51 110.06 3bmo n ALA 170 Ca 0.14 0.14 -0.29 0.00 0.00 0.00 0.00 53.44 53.44 3bmo n ALA 170 Cb 0.31 -1.30 0.04 0.00 0.00 0.00 0.00 19.45 18.50 3bmo n ALA 170 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 3bmo n PHE 171 N -3.08 3.00 0.10 0.00 3.01 -1.08 -0.20 117.46 119.21 3bmo n PHE 171 Ca -0.11 -2.59 -0.13 0.00 1.01 0.00 0.00 57.45 55.63 3bmo n PHE 171 Cb 0.42 -0.72 -0.06 0.00 -0.01 0.00 0.00 39.48 39.10 3bmo n PHE 171 CO 0.00 0.00 0.00 0.77 1.01 0.00 0.00 176.76 178.54 3bmo h SER 172 N 2.23 -1.03 -0.39 4.37 0.02 -1.84 -0.24 113.55 116.68 3bmo h SER 172 Ca 0.45 0.12 -0.01 0.00 -0.84 0.00 0.00 61.79 61.52 3bmo h SER 172 Cb 1.12 0.39 -0.02 0.00 0.14 0.00 0.00 62.40 64.04 3bmo h SER 172 CO 1.09 -0.43 0.22 -0.07 -1.14 0.00 0.00 176.83 176.50 3bmo h LEU 173 N -0.56 0.49 -0.43 5.07 3.38 -1.89 0.18 115.31 121.56 3bmo h LEU 173 Ca 0.04 -0.09 0.08 0.00 0.09 0.00 0.00 57.88 58.00 3bmo h LEU 173 Cb 0.60 -0.12 -0.07 0.00 0.09 0.00 0.00 40.66 41.16 3bmo h LEU 173 CO -0.23 0.43 -0.00 0.22 0.09 0.00 0.00 178.44 178.96 3bmo h TYR 174 N 0.51 -0.03 -0.45 1.13 3.20 -1.80 -0.37 116.97 119.16 3bmo h TYR 174 Ca 0.14 0.03 -0.09 0.00 3.14 0.00 0.00 58.73 61.95 3bmo h TYR 174 Cb 0.05 0.08 -0.01 0.00 1.54 0.00 0.00 36.73 38.38 3bmo h TYR 174 CO -0.03 -0.09 -0.07 -0.97 -1.64 0.00 0.00 178.16 175.37 3bmo h ASN 175 N 0.11 0.84 -0.49 -2.11 -1.24 -0.52 -0.93 115.58 111.23 3bmo h ASN 175 Ca 0.21 -0.34 0.08 0.00 0.71 0.00 0.00 56.30 56.96 3bmo h ASN 175 Cb 0.30 -0.23 -0.07 0.00 0.73 0.00 0.00 38.32 39.06 3bmo h ASN 175 CO -0.35 0.98 0.12 0.24 -1.29 0.00 0.00 177.43 177.12 3bmo h MET 176 N 0.68 0.25 -0.46 6.67 2.86 -0.44 -0.24 114.93 124.24 3bmo h MET 176 Ca 0.12 -0.02 0.05 0.00 -2.06 0.00 0.00 59.70 57.79 3bmo h MET 176 Cb 0.59 -0.06 -0.05 0.00 0.06 0.00 0.00 31.60 32.15 3bmo h MET 176 CO 0.04 0.17 0.20 0.78 1.06 0.00 0.00 176.91 179.15 3bmo h GLY 177 N 0.26 0.63 1.10 8.32 0.00 -0.28 -0.31 103.07 112.79 3bmo h GLY 177 Ca 0.24 -0.13 -0.13 0.00 0.00 0.00 0.00 47.33 47.31 3bmo h GLY 177 CO -0.30 0.06 -0.22 0.50 0.00 0.00 0.00 176.54 176.59 3bmo h LYS 178 N 0.40 0.99 -0.49 4.80 1.79 -0.94 -0.94 116.57 122.18 3bmo h LYS 178 Ca 0.21 -0.42 0.04 0.00 -2.18 0.00 0.00 60.65 58.30 3bmo h LYS 178 Cb 0.16 -0.03 -0.04 0.00 -1.58 0.00 0.00 32.23 30.74 3bmo h LYS 178 CO -0.18 1.10 0.24 0.45 -1.08 0.00 0.00 179.45 179.98 3bmo h HIS 179 N 0.84 0.44 -0.87 -1.35 3.86 -0.92 -2.12 115.15 115.03 3bmo h HIS 179 Ca 0.11 0.02 0.08 0.00 -1.16 0.00 0.00 60.37 59.42 3bmo h HIS 179 Cb 0.80 -0.13 -0.06 0.00 1.06 0.00 0.00 27.41 29.08 3bmo h HIS 179 CO 0.05 0.21 0.57 0.00 0.86 0.00 0.00 177.93 179.62 3bmo h ALA 180 N 1.27 1.61 -0.41 2.45 0.00 -0.72 -1.84 119.26 121.62 3bmo h ALA 180 Ca 0.22 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 55.07 3bmo h ALA 180 Cb 0.13 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 3bmo h ALA 180 CO -0.16 0.22 0.08 1.25 0.00 0.00 0.00 179.25 180.65 3bmo h LEU 181 N 0.90 0.57 -0.47 0.00 5.85 -0.66 0.75 115.31 122.26 3bmo h LEU 181 Ca 0.39 -0.09 -0.05 0.00 0.84 0.00 0.00 57.88 58.97 3bmo h LEU 181 Cb 0.34 -0.15 -0.02 0.00 0.37 0.00 0.00 40.66 41.20 3bmo h LEU 181 CO -0.16 0.58 0.08 0.58 -0.34 0.00 0.00 178.44 179.19 3bmo h VAL 182 N 0.60 1.25 -0.62 1.05 2.07 -0.72 0.06 116.25 119.94 3bmo h VAL 182 Ca 0.14 -0.90 0.01 0.00 0.82 0.00 0.00 66.70 66.77 3bmo h VAL 182 Cb 0.25 0.92 -0.03 0.00 -1.52 0.00 0.00 31.29 30.92 3bmo h VAL 182 CO -0.00 0.32 0.41 1.23 0.02 0.00 0.00 177.57 179.54 3bmo h GLY 183 N 0.64 0.88 0.94 2.17 0.00 -0.73 -1.65 103.07 105.32 3bmo h GLY 183 Ca 0.14 -0.32 -0.02 0.00 0.00 0.00 0.00 47.33 47.14 3bmo h GLY 183 CO 0.01 0.30 0.16 -2.00 0.00 0.00 0.00 176.54 175.01 3bmo h LEU 184 N 0.82 0.47 -0.37 3.11 5.85 -0.67 0.25 115.31 124.77 3bmo h LEU 184 Ca 0.23 -0.14 0.06 0.00 0.84 0.00 0.00 57.88 58.86 3bmo h LEU 184 Cb -0.07 -0.12 -0.05 0.00 0.37 0.00 0.00 40.66 40.78 3bmo h LEU 184 CO -0.06 0.48 0.07 0.74 -0.34 0.00 0.00 178.44 179.33 3bmo h THR 185 N 0.43 0.81 0.20 1.05 2.02 -0.38 0.15 112.91 117.18 3bmo h THR 185 Ca 0.12 -0.07 -0.01 0.00 0.77 0.00 0.00 66.41 67.22 3bmo h THR 185 Cb 0.15 0.60 0.00 0.00 -1.74 0.00 0.00 68.15 67.16 3bmo h THR 185 CO -0.01 0.04 -0.10 1.56 0.37 0.00 0.00 175.52 177.37 3bmo h GLN 186 N 0.19 -0.26 -0.44 6.66 4.20 -1.12 -1.28 115.11 123.06 3bmo h GLN 186 Ca 0.18 0.02 -0.01 0.00 0.06 0.00 0.00 58.65 58.90 3bmo h GLN 186 Cb 0.21 0.06 -0.02 0.00 0.30 0.00 0.00 27.48 28.03 3bmo h GLN 186 CO -0.24 -0.01 0.25 0.77 -0.67 0.00 0.00 178.83 178.93 3bmo h SER 187 N -0.49 0.54 -0.18 1.46 0.02 -0.79 -1.55 113.55 112.56 3bmo h SER 187 Ca -0.03 -0.07 -0.14 0.00 -0.84 0.00 0.00 61.79 60.71 3bmo h SER 187 Cb 0.37 -0.14 -0.01 0.00 0.14 0.00 0.00 62.40 62.76 3bmo h SER 187 CO 0.05 0.46 -0.38 0.00 -1.14 0.00 0.00 176.83 175.81 3bmo h ALA 188 N 1.10 0.76 -0.39 3.77 0.00 -0.77 -1.48 119.26 122.25 3bmo h ALA 188 Ca 0.16 -0.44 0.06 0.00 0.00 0.00 0.00 54.91 54.69 3bmo h ALA 188 Cb 0.03 -0.12 -0.05 0.00 0.00 0.00 0.00 17.79 17.65 3bmo h ALA 188 CO -0.03 0.66 0.09 0.00 0.00 0.00 0.00 179.25 179.97 3bmo h ALA 189 N 0.99 0.43 -0.02 0.00 0.00 -0.97 0.41 119.26 120.10 3bmo h ALA 189 Ca 0.05 0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.04 3bmo h ALA 189 Cb 0.91 0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.79 3bmo h ALA 189 CO 0.08 -0.31 0.01 1.25 0.00 0.00 0.00 179.25 180.28 3bmo h LEU 190 N 0.22 0.02 -0.45 0.00 5.85 -1.09 -2.23 115.31 117.63 3bmo h LEU 190 Ca 0.19 -0.03 -0.18 0.00 0.84 0.00 0.00 57.88 58.70 3bmo h LEU 190 Cb 0.22 -0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.23 3bmo h LEU 190 CO -0.24 0.04 -0.75 -0.08 -0.34 0.00 0.00 178.44 177.08 3bmo h GLU 191 N -0.01 0.25 0.00 1.25 4.81 -1.10 -3.26 114.58 116.52 3bmo h GLU 191 Ca 0.01 -0.22 0.00 0.00 -0.13 0.00 0.00 59.36 59.01 3bmo h GLU 191 Cb 0.03 0.05 0.00 0.00 0.63 0.00 0.00 28.75 29.46 3bmo h GLU 191 CO -0.00 0.89 -0.73 1.28 -0.73 0.00 0.00 179.01 179.72 3bmo n LEU 192 N -3.78 0.68 -0.31 1.64 4.77 0.12 -4.33 117.00 115.80 3bmo n LEU 192 Ca -0.03 -0.17 0.09 0.00 -0.03 0.00 0.00 56.01 55.87 3bmo n LEU 192 Cb 0.72 -0.15 0.26 0.00 -2.33 0.00 0.00 43.42 41.92 3bmo n LEU 192 CO 0.47 0.16 1.10 0.00 -1.33 0.00 0.00 177.39 177.78 3bmo h ALA 193 N 2.95 1.38 0.00 -1.18 0.00 -1.44 -0.20 119.26 120.76 3bmo h ALA 193 Ca 0.00 0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.01 3bmo h ALA 193 Cb 0.53 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.33 3bmo h ALA 193 CO 0.00 -0.14 0.00 -1.35 0.00 0.00 0.00 179.25 177.76 3bmo h PRO 194 N 0.59 0.00 -0.09 0.00 0.11 -1.80 -0.77 132.00 130.04 3bmo h PRO 194 Ca 0.50 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.61 3bmo h PRO 194 Cb 0.79 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.90 3bmo h PRO 194 CO -0.40 0.00 0.00 0.66 -0.21 0.00 0.00 178.00 178.05 3bmo n TYR 195 N -2.76 0.10 -1.17 0.65 4.02 -0.11 -4.95 117.16 112.95 3bmo n TYR 195 Ca -0.01 -0.05 -0.06 0.00 -0.01 0.00 0.00 57.90 57.77 3bmo n TYR 195 Cb 0.12 0.00 -0.03 0.00 -0.02 0.00 0.00 39.34 39.42 3bmo n TYR 195 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3bmo n GLY 196 N 1.24 0.81 3.55 2.72 0.00 -0.29 -5.00 105.19 108.21 3bmo n GLY 196 Ca 0.17 -0.44 -0.39 0.00 0.00 0.00 0.00 46.02 45.36 3bmo n GLY 196 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3bmo s ILE 197 N -2.09 5.25 0.23 -0.61 1.01 -1.10 -4.17 121.20 119.72 3bmo s ILE 197 Ca 0.00 -0.06 -0.13 0.00 0.00 0.00 0.00 60.65 60.46 3bmo s ILE 197 Cb 0.00 -3.60 -0.08 0.00 0.01 0.00 0.00 42.46 38.79 3bmo s ILE 197 CO 0.00 0.11 0.61 -0.13 0.00 0.00 0.00 174.94 175.54 3bmo s ARG 198 N 1.73 3.95 -0.13 2.79 0.52 -0.96 -3.79 118.95 123.06 3bmo s ARG 198 Ca 0.06 0.50 -0.03 0.00 -0.52 0.00 0.00 55.73 55.74 3bmo s ARG 198 Cb -0.17 -2.70 0.05 0.00 0.52 0.00 0.00 34.95 32.65 3bmo s ARG 198 CO 0.10 0.33 0.06 0.08 0.02 0.00 0.00 175.30 175.89 3bmo s VAL 199 N -1.73 0.10 0.36 3.52 1.01 -1.26 -0.64 120.40 121.76 3bmo s VAL 199 Ca 0.46 -0.06 0.05 0.00 0.00 0.00 0.00 61.98 62.43 3bmo s VAL 199 Cb -0.13 -0.56 -0.03 0.00 0.00 0.00 0.00 36.38 35.67 3bmo s VAL 199 CO 0.20 -0.08 0.20 0.20 0.00 0.00 0.00 175.10 175.62 3bmo s ASN 200 N 2.07 2.14 0.07 3.32 0.01 -0.25 -0.12 114.94 122.17 3bmo s ASN 200 Ca 0.03 -1.70 0.01 0.00 -0.71 0.00 0.00 52.86 50.48 3bmo s ASN 200 Cb -0.15 0.53 -0.04 0.00 0.41 0.00 0.00 41.25 42.00 3bmo s ASN 200 CO -0.07 -0.99 -0.05 -0.83 -1.51 0.00 0.00 177.10 173.65 3bmo s GLY 201 N -3.48 0.58 -0.09 0.66 0.00 0.28 -0.82 107.32 104.45 3bmo s GLY 201 Ca 0.32 -1.14 0.02 0.00 0.00 0.00 0.00 44.72 43.92 3bmo s GLY 201 CO 0.20 -1.23 -0.13 0.14 0.00 0.00 0.00 173.10 172.08 3bmo s VAL 202 N -3.14 1.29 -0.48 1.40 1.01 -0.46 -0.90 120.40 119.13 3bmo s VAL 202 Ca 0.04 -0.53 0.02 0.00 0.00 0.00 0.00 61.98 61.50 3bmo s VAL 202 Cb 0.02 -1.19 0.13 0.00 0.00 0.00 0.00 36.38 35.34 3bmo s VAL 202 CO -0.05 0.40 0.23 0.00 0.00 0.00 0.00 175.10 175.68 3bmo s ALA 203 N 0.92 3.23 0.73 5.51 0.00 -0.03 -0.29 121.76 131.83 3bmo s ALA 203 Ca -0.09 -2.96 -0.13 0.00 0.00 0.00 0.00 51.96 48.77 3bmo s ALA 203 Cb -0.15 -2.25 0.04 0.00 0.00 0.00 0.00 23.12 20.76 3bmo s ALA 203 CO 0.00 -1.91 1.13 -2.14 0.00 0.00 0.00 175.76 172.84 3bmo s PRO 204 N 0.30 2.32 0.00 0.00 0.02 -1.26 -0.90 135.00 135.48 3bmo s PRO 204 Ca 0.14 1.43 0.00 0.00 0.02 0.00 0.00 61.00 62.59 3bmo s PRO 204 Cb -0.22 -1.89 0.00 0.00 0.02 0.00 0.00 34.50 32.41 3bmo s PRO 204 CO -0.04 -1.63 0.00 0.41 -0.33 0.00 0.00 177.00 175.42 3bmo n GLY 205 N -0.42 0.23 3.41 0.52 0.00 -1.16 -0.66 105.19 107.11 3bmo n GLY 205 Ca 0.11 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.75 3bmo n GLY 205 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3bmo s VAL 206 N 0.22 4.39 0.00 1.61 1.01 -1.26 -4.85 120.40 121.51 3bmo s VAL 206 Ca 0.00 -0.48 0.00 0.00 0.00 0.00 0.00 61.98 61.50 3bmo s VAL 206 Cb 0.00 -3.23 0.00 0.00 0.00 0.00 0.00 36.38 33.15 3bmo s VAL 206 CO 0.00 0.09 0.00 -0.24 0.00 0.00 0.00 175.10 174.95 3bmo n SER 207 N 4.94 0.00 -4.68 3.32 2.88 -1.26 -0.96 113.62 117.86 3bmo n SER 207 Ca -0.14 0.00 -0.46 0.00 -1.33 0.00 0.00 58.87 56.94 3bmo n SER 207 Cb 0.49 0.00 -0.04 0.00 -0.75 0.00 0.00 64.21 63.91 3bmo n SER 207 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 3bmo n LEU 208 N 0.00 3.57 -4.81 2.46 4.77 -1.24 -4.61 117.00 117.14 3bmo n LEU 208 Ca 0.00 1.00 -0.32 0.00 -0.03 0.00 0.00 56.01 56.65 3bmo n LEU 208 Cb 0.00 -1.44 0.02 0.00 -2.33 0.00 0.00 43.42 39.67 3bmo n LEU 208 CO 0.00 -0.03 0.71 -0.76 -1.33 0.00 0.00 177.39 175.98 3bmo s LEU 209 N 3.05 3.42 0.32 2.23 1.43 -1.26 -4.94 118.68 122.93 3bmo s LEU 209 Ca 0.87 1.78 -0.29 0.00 -1.03 0.00 0.00 54.13 55.45 3bmo s LEU 209 Cb -0.62 -4.53 -0.12 0.00 0.03 0.00 0.00 46.19 40.96 3bmo s LEU 209 CO 0.44 -1.22 1.42 -2.65 0.23 0.00 0.00 176.35 174.57 3bmo n PRO 210 N -2.26 2.36 0.07 1.29 -0.02 -1.26 -4.85 135.00 130.34 3bmo n PRO 210 Ca 0.08 0.83 0.08 0.00 -2.02 0.00 0.00 63.50 62.48 3bmo n PRO 210 Cb 0.53 -2.51 0.53 0.00 -0.02 0.00 0.00 33.50 32.04 3bmo n PRO 210 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 3bmo h VAL 211 N 2.90 1.00 0.00 -1.45 2.07 -2.04 -1.46 116.25 117.26 3bmo h VAL 211 Ca -0.47 -0.10 0.00 0.00 0.82 0.00 0.00 66.70 66.95 3bmo h VAL 211 Cb 1.26 0.68 0.00 0.00 -1.52 0.00 0.00 31.29 31.71 3bmo h VAL 211 CO 0.69 0.05 0.00 0.00 0.02 0.00 0.00 177.57 178.33 3bmo n ALA 212 N -2.52 2.37 -1.94 1.67 0.00 -1.26 -4.85 120.51 113.98 3bmo n ALA 212 Ca 0.03 -0.11 -0.41 0.00 0.00 0.00 0.00 53.44 52.95 3bmo n ALA 212 Cb 0.18 -1.47 -0.05 0.00 0.00 0.00 0.00 19.45 18.10 3bmo n ALA 212 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 177.50 178.91 3bmo s MET 213 N -2.87 4.68 0.63 0.00 0.00 -0.55 -5.03 119.30 116.17 3bmo s MET 213 Ca 0.18 1.65 -0.12 0.00 0.00 0.00 0.00 55.69 57.40 3bmo s MET 213 Cb 0.19 -3.27 -0.02 0.00 0.00 0.00 0.00 34.83 31.73 3bmo s MET 213 CO 0.51 0.23 1.04 0.20 0.00 0.00 0.00 175.02 177.00 3bmo s GLY 214 N -0.54 1.78 0.22 2.11 0.00 -1.26 -4.85 107.32 104.78 3bmo s GLY 214 Ca 0.46 0.09 -0.08 0.00 0.00 0.00 0.00 44.72 45.19 3bmo s GLY 214 CO 0.35 0.38 1.82 0.83 0.00 0.00 0.00 173.10 176.48 3bmo h GLU 215 N -0.22 1.19 -0.58 2.90 4.39 -1.99 -1.02 114.58 119.25 3bmo h GLU 215 Ca -0.45 -0.17 0.01 0.00 0.34 0.00 0.00 59.36 59.09 3bmo h GLU 215 Cb 1.20 -0.22 -0.03 0.00 -0.10 0.00 0.00 28.75 29.61 3bmo h GLU 215 CO 0.59 0.91 0.38 0.93 -1.16 0.00 0.00 179.01 180.66 3bmo h GLU 216 N 1.17 0.76 -0.59 2.33 4.39 -1.99 -0.85 114.58 119.80 3bmo h GLU 216 Ca 0.29 -0.05 -0.05 0.00 0.34 0.00 0.00 59.36 59.89 3bmo h GLU 216 Cb 0.10 -0.17 -0.02 0.00 -0.10 0.00 0.00 28.75 28.56 3bmo h GLU 216 CO -0.04 0.50 0.16 1.49 -1.16 0.00 0.00 179.01 179.96 3bmo h GLU 217 N 0.78 0.93 -0.35 2.33 4.81 -1.83 -1.59 114.58 119.67 3bmo h GLU 217 Ca 0.21 -0.22 0.03 0.00 -0.13 0.00 0.00 59.36 59.25 3bmo h GLU 217 Cb -0.09 -0.13 -0.03 0.00 0.63 0.00 0.00 28.75 29.13 3bmo h GLU 217 CO -0.05 0.85 0.16 0.87 -0.73 0.00 0.00 179.01 180.11 3bmo h LYS 218 N 0.84 0.32 -0.54 1.92 1.57 -0.94 -2.10 116.57 117.64 3bmo h LYS 218 Ca 0.19 -0.02 -0.01 0.00 -1.87 0.00 0.00 60.65 58.94 3bmo h LYS 218 Cb 0.33 -0.07 -0.03 0.00 0.08 0.00 0.00 32.23 32.54 3bmo h LYS 218 CO -0.00 0.21 0.30 -0.44 -0.57 0.00 0.00 179.45 178.95 3bmo h ASP 219 N 0.33 0.66 -0.78 0.86 3.32 -0.89 -1.15 116.42 118.76 3bmo h ASP 219 Ca 0.15 -0.04 -0.00 0.00 0.02 0.00 0.00 57.03 57.15 3bmo h ASP 219 Cb 0.08 -0.17 -0.04 0.00 0.22 0.00 0.00 39.33 39.43 3bmo h ASP 219 CO -0.12 0.53 0.48 0.11 -1.72 0.00 0.00 179.24 178.52 3bmo h LYS 220 N 0.75 1.05 -0.42 3.56 1.57 -0.65 -1.84 116.57 120.59 3bmo h LYS 220 Ca 0.19 -0.09 -0.07 0.00 -1.87 0.00 0.00 60.65 58.81 3bmo h LYS 220 Cb 0.01 -0.22 -0.01 0.00 0.08 0.00 0.00 32.23 32.08 3bmo h LYS 220 CO -0.03 0.74 -0.03 -1.49 -0.57 0.00 0.00 179.45 178.07 3bmo h TRP 221 N 1.07 0.83 -1.00 -1.35 4.06 -0.83 -3.11 115.95 115.62 3bmo h TRP 221 Ca 0.28 -0.15 0.03 0.00 2.06 0.00 0.00 58.89 61.11 3bmo h TRP 221 Cb -0.06 -0.21 -0.06 0.00 -1.00 0.00 0.00 29.16 27.84 3bmo h TRP 221 CO -0.01 0.84 0.66 0.00 -3.56 0.00 0.00 178.44 176.37 3bmo h ARG 222 N 0.58 1.25 0.00 0.49 3.08 -0.94 -1.91 114.38 116.94 3bmo h ARG 222 Ca 0.11 -0.08 0.00 0.00 0.07 0.00 0.00 59.98 60.09 3bmo h ARG 222 Cb 0.52 -0.28 0.00 0.00 0.08 0.00 0.00 29.97 30.29 3bmo h ARG 222 CO 0.03 0.83 0.00 0.00 -1.07 0.00 0.00 179.97 179.75 3bmo h ARG 223 N 1.29 0.00 0.00 0.04 3.08 -1.27 -2.40 114.38 115.12 3bmo h ARG 223 Ca 0.39 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.44 3bmo h ARG 223 Cb -0.04 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.01 3bmo h ARG 223 CO -0.11 0.00 -0.17 0.87 -1.07 0.00 0.00 179.97 179.49 3bmo h LYS 224 N 0.00 0.00 -6.34 0.04 1.57 -1.37 -3.45 116.57 107.01 3bmo h LYS 224 Ca 0.00 0.00 -0.58 0.00 -1.87 0.00 0.00 60.65 58.20 3bmo h LYS 224 Cb 0.27 0.00 -0.08 0.00 0.08 0.00 0.00 32.23 32.51 3bmo h LYS 224 CO 0.00 0.00 0.77 0.08 -0.57 0.00 0.00 179.45 179.73 3bmo s VAL 225 N -3.15 4.44 0.23 0.50 1.01 -0.91 -4.80 120.40 117.72 3bmo s VAL 225 Ca 0.09 1.34 -0.07 0.00 0.00 0.00 0.00 61.98 63.33 3bmo s VAL 225 Cb 0.11 -4.45 0.18 0.00 0.00 0.00 0.00 36.38 32.22 3bmo s VAL 225 CO 0.64 -0.68 1.81 -0.65 0.00 0.00 0.00 175.10 176.22 3bmo h PRO 226 N 8.63 0.72 -5.17 2.72 0.11 -1.84 -1.42 132.00 135.75 3bmo h PRO 226 Ca -0.22 -0.04 -0.69 0.00 0.11 0.00 0.00 66.00 65.15 3bmo h PRO 226 Cb 1.07 -0.16 -0.15 0.00 0.11 0.00 0.00 31.00 31.86 3bmo h PRO 226 CO 1.04 0.48 1.27 -1.17 -0.21 0.00 0.00 178.00 179.41 3bmo s LEU 227 N -10.27 4.71 0.00 2.35 2.96 -0.55 -4.26 118.68 113.62 3bmo s LEU 227 Ca -0.13 -2.35 0.00 0.00 -0.22 0.00 0.00 54.13 51.43 3bmo s LEU 227 Cb 0.18 -2.44 0.00 0.00 0.50 0.00 0.00 46.19 44.42 3bmo s LEU 227 CO 0.77 -1.02 0.00 0.61 -1.32 0.00 0.00 176.35 175.39 3bmo n GLY 228 N 5.18 0.78 3.88 7.98 0.00 -1.26 -4.49 105.19 117.25 3bmo n GLY 228 Ca 0.33 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 46.07 3bmo n GLY 228 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3bmo n ARG 229 N -2.00 -5.08 -3.67 1.61 5.12 -0.53 -4.95 116.66 107.16 3bmo n ARG 229 Ca 0.00 0.58 -0.12 0.00 -1.93 0.00 0.00 57.85 56.38 3bmo n ARG 229 Cb 0.00 -5.31 -0.06 0.00 -1.16 0.00 0.00 32.46 25.93 3bmo n ARG 229 CO 0.00 0.00 0.00 -0.98 -1.93 0.00 0.00 177.63 174.72 3bmo s ARG 230 N -6.46 0.95 0.58 5.56 1.70 -1.15 -4.33 118.95 115.80 3bmo s ARG 230 Ca 0.44 -0.49 -0.15 0.00 -0.47 0.00 0.00 55.73 55.06 3bmo s ARG 230 Cb -0.22 0.42 -0.05 0.00 -0.57 0.00 0.00 34.95 34.53 3bmo s ARG 230 CO 0.83 -0.34 1.04 -1.83 -1.08 0.00 0.00 175.30 173.92 3bmo s GLU 231 N -2.90 3.48 0.28 3.89 1.03 -1.26 -4.87 118.70 118.35 3bmo s GLU 231 Ca -0.03 1.10 -0.29 0.00 0.03 0.00 0.00 54.97 55.78 3bmo s GLU 231 Cb 0.00 -2.06 -0.10 0.00 -0.80 0.00 0.00 34.13 31.17 3bmo s GLU 231 CO -0.05 -0.67 1.39 0.00 -1.33 0.00 0.00 175.26 174.60 3bmo s ALA 232 N -2.57 3.57 0.81 -0.84 0.00 -0.14 -4.93 121.76 117.66 3bmo s ALA 232 Ca 0.61 1.31 -0.12 0.00 0.00 0.00 0.00 51.96 53.77 3bmo s ALA 232 Cb -0.14 -3.53 0.08 0.00 0.00 0.00 0.00 23.12 19.53 3bmo s ALA 232 CO 0.37 -0.72 1.14 -1.54 0.00 0.00 0.00 175.76 175.01 3bmo s SER 233 N 0.04 3.86 0.42 0.00 1.04 -1.26 -3.63 113.70 114.17 3bmo s SER 233 Ca 0.55 2.09 0.08 0.00 0.48 0.00 0.00 55.95 59.15 3bmo s SER 233 Cb -0.41 -2.56 0.89 0.00 0.10 0.00 0.00 66.02 64.04 3bmo s SER 233 CO 0.48 -2.48 2.06 0.00 0.98 0.00 0.00 173.24 174.28 3bmo h ALA 234 N -1.17 1.71 -0.31 5.32 0.00 -1.95 -2.49 119.26 120.37 3bmo h ALA 234 Ca -0.44 -0.04 -0.09 0.00 0.00 0.00 0.00 54.91 54.34 3bmo h ALA 234 Cb 1.26 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.89 3bmo h ALA 234 CO 0.47 0.25 -0.18 0.93 0.00 0.00 0.00 179.25 180.73 3bmo h GLU 235 N 0.48 0.55 -0.45 0.00 3.07 -1.92 0.17 114.58 116.49 3bmo h GLU 235 Ca 0.13 -0.19 -0.07 0.00 -0.50 0.00 0.00 59.36 58.73 3bmo h GLU 235 Cb -0.02 -0.04 -0.02 0.00 -0.84 0.00 0.00 28.75 27.83 3bmo h GLU 235 CO -0.02 0.71 0.00 1.96 -1.40 0.00 0.00 179.01 180.26 3bmo h GLN 236 N 0.50 0.79 -0.19 2.33 4.20 -1.83 0.88 115.11 121.78 3bmo h GLN 236 Ca 0.08 -0.25 -0.00 0.00 0.06 0.00 0.00 58.65 58.54 3bmo h GLN 236 Cb 0.60 -0.07 -0.01 0.00 0.30 0.00 0.00 27.48 28.29 3bmo h GLN 236 CO 0.04 0.85 0.12 0.82 -0.67 0.00 0.00 178.83 179.98 3bmo h ILE 237 N 0.63 1.08 -0.75 2.54 1.08 -1.20 -2.91 117.51 117.98 3bmo h ILE 237 Ca 0.13 -0.19 0.07 0.00 -0.39 0.00 0.00 64.86 64.47 3bmo h ILE 237 Cb 0.49 0.86 -0.05 0.00 -3.07 0.00 0.00 36.82 35.06 3bmo h ILE 237 CO 0.02 0.08 0.49 0.00 -0.69 0.00 0.00 178.15 178.05 3bmo h ALA 238 N 1.03 1.70 -0.97 1.87 0.00 -0.68 -2.09 119.26 120.13 3bmo h ALA 238 Ca 0.07 -0.02 0.10 0.00 0.00 0.00 0.00 54.91 55.06 3bmo h ALA 238 Cb 0.02 -0.19 -0.07 0.00 0.00 0.00 0.00 17.79 17.54 3bmo h ALA 238 CO -0.01 0.17 0.62 -0.44 0.00 0.00 0.00 179.25 179.59 3bmo h ASP 239 N 0.77 0.91 0.06 0.00 3.32 -0.62 -0.48 116.42 120.38 3bmo h ASP 239 Ca 0.33 0.03 -0.16 0.00 0.02 0.00 0.00 57.03 57.25 3bmo h ASP 239 Cb 0.29 -0.16 -0.01 0.00 0.22 0.00 0.00 39.33 39.67 3bmo h ASP 239 CO -0.11 0.53 -0.54 0.00 -1.72 0.00 0.00 179.24 177.39 3bmo h ALA 240 N 1.52 0.73 -0.37 3.45 0.00 -1.39 -1.71 119.26 121.49 3bmo h ALA 240 Ca 0.46 -0.51 -0.01 0.00 0.00 0.00 0.00 54.91 54.84 3bmo h ALA 240 Cb 0.39 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.08 3bmo h ALA 240 CO -0.22 0.69 0.18 0.28 0.00 0.00 0.00 179.25 180.18 3bmo h VAL 241 N 0.40 1.17 -0.76 0.00 2.07 -1.19 -1.81 116.25 116.12 3bmo h VAL 241 Ca 0.01 -0.47 -0.03 0.00 0.82 0.00 0.00 66.70 67.03 3bmo h VAL 241 Cb 1.08 0.80 -0.03 0.00 -1.52 0.00 0.00 31.29 31.61 3bmo h VAL 241 CO 0.10 0.18 0.35 0.40 0.02 0.00 0.00 177.57 178.62 3bmo h ILE 242 N 0.46 1.25 -0.19 4.57 5.03 -0.97 -1.52 117.51 126.14 3bmo h ILE 242 Ca 0.13 -0.72 0.02 0.00 -0.12 0.00 0.00 64.86 64.17 3bmo h ILE 242 Cb 0.11 0.31 -0.02 0.00 -3.03 0.00 0.00 36.82 34.19 3bmo h ILE 242 CO -0.02 0.30 0.05 0.15 -0.68 0.00 0.00 178.15 177.95 3bmo h PHE 243 N 1.08 0.08 -0.04 1.37 3.57 -1.14 -2.14 116.94 119.72 3bmo h PHE 243 Ca 0.26 0.01 -0.05 0.00 3.53 0.00 0.00 57.97 61.72 3bmo h PHE 243 Cb 0.14 -0.01 -0.01 0.00 2.79 0.00 0.00 35.95 38.87 3bmo h PHE 243 CO 0.01 0.03 -0.21 -0.07 -2.23 0.00 0.00 178.31 175.85 3bmo h LEU 244 N 0.13 0.07 0.00 0.59 3.38 -0.58 -1.85 115.31 117.05 3bmo h LEU 244 Ca 0.08 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.04 3bmo h LEU 244 Cb 0.07 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 40.80 3bmo h LEU 244 CO -0.10 0.28 -0.28 1.33 0.09 0.00 0.00 178.44 179.76 3bmo n VAL 245 N -4.26 0.45 -1.69 1.22 0.24 -0.64 -4.76 118.33 108.89 3bmo n VAL 245 Ca -0.02 -0.26 -0.30 0.00 -2.04 0.00 0.00 64.34 61.73 3bmo n VAL 245 Cb 0.29 -0.36 0.08 0.00 -1.47 0.00 0.00 33.84 32.38 3bmo n VAL 245 CO 0.00 0.00 0.00 -0.94 -2.14 0.00 0.00 176.83 173.75 3bmo s SER 246 N -4.29 4.63 0.55 -1.34 1.04 -0.70 -4.95 113.70 108.66 3bmo s SER 246 Ca 0.09 1.14 0.37 0.00 0.48 0.00 0.00 55.95 58.03 3bmo s SER 246 Cb 0.13 -1.84 1.99 0.00 0.10 0.00 0.00 66.02 66.41 3bmo s SER 246 CO 0.65 -1.86 2.14 1.23 0.98 0.00 0.00 173.24 176.38 3bmo h GLY 247 N -1.02 0.00 0.69 7.32 0.00 -1.90 -2.43 103.07 105.73 3bmo h GLY 247 Ca -0.47 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.86 3bmo h GLY 247 CO 0.62 0.00 0.00 1.44 0.00 0.00 0.00 176.54 178.60 3bmo n SER 248 N -2.83 0.19 -0.30 0.19 7.64 -1.26 -3.39 113.62 113.85 3bmo n SER 248 Ca -0.02 -1.19 0.07 0.00 1.01 0.00 0.00 58.87 58.75 3bmo n SER 248 Cb 0.08 -0.00 0.12 0.00 -1.01 0.00 0.00 64.21 63.40 3bmo n SER 248 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3bmo n ALA 249 N -0.79 2.47 0.30 -0.43 0.00 -0.91 -4.88 120.51 116.27 3bmo n ALA 249 Ca 0.20 -2.47 0.18 0.00 0.00 0.00 0.00 53.44 51.36 3bmo n ALA 249 Cb 0.13 -0.41 0.83 0.00 0.00 0.00 0.00 19.45 20.00 3bmo n ALA 249 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 177.50 176.94 3bmo h GLN 250 N 0.23 0.00 -0.11 0.00 3.07 -1.69 -1.27 115.11 115.34 3bmo h GLN 250 Ca -0.01 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.73 3bmo h GLN 250 Cb 1.11 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.67 3bmo h GLN 250 CO 0.00 0.00 0.00 0.98 0.09 0.00 0.00 178.83 179.90 3bmo n TYR 251 N -2.89 0.12 -3.19 0.06 9.36 -1.26 -4.94 117.16 114.41 3bmo n TYR 251 Ca -0.01 -0.07 -0.41 0.00 3.32 0.00 0.00 57.90 60.74 3bmo n TYR 251 Cb 0.19 -0.00 -0.07 0.00 -0.63 0.00 0.00 39.34 38.83 3bmo n TYR 251 CO 0.00 0.00 0.00 0.42 0.22 0.00 0.00 176.86 177.50 3bmo s ILE 252 N -1.59 5.00 -0.11 2.97 1.01 -0.48 -5.04 121.20 122.96 3bmo s ILE 252 Ca 0.26 0.70 -0.13 0.00 0.00 0.00 0.00 60.65 61.49 3bmo s ILE 252 Cb 0.18 -3.93 0.03 0.00 0.01 0.00 0.00 42.46 38.74 3bmo s ILE 252 CO 0.26 -0.09 0.35 0.28 0.00 0.00 0.00 174.94 175.73 3bmo s THR 253 N 2.45 0.01 -0.55 2.92 -1.32 -1.26 -4.66 115.64 113.24 3bmo s THR 253 Ca 0.22 -0.10 0.00 0.00 -1.21 0.00 0.00 61.69 60.60 3bmo s THR 253 Cb -0.15 -0.53 0.00 0.00 -1.51 0.00 0.00 72.50 70.31 3bmo s THR 253 CO 0.12 -0.06 0.00 0.61 -2.21 0.00 0.00 174.62 173.08 3bmo n GLY 254 N 2.53 0.78 3.70 6.08 0.00 0.83 -4.95 105.19 114.16 3bmo n GLY 254 Ca -0.15 -0.76 -0.33 0.00 0.00 0.00 0.00 46.02 44.78 3bmo n GLY 254 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3bmo s SER 255 N -2.88 5.22 -0.19 1.61 0.01 -1.26 -4.83 113.70 111.38 3bmo s SER 255 Ca 0.00 0.04 0.01 0.00 1.31 0.00 0.00 55.95 57.31 3bmo s SER 255 Cb 0.00 -1.40 0.03 0.00 0.21 0.00 0.00 66.02 64.86 3bmo s SER 255 CO 0.00 0.29 -0.16 -0.63 0.41 0.00 0.00 173.24 173.15 3bmo s ILE 256 N -1.08 1.96 -0.38 1.44 1.01 -1.26 -0.56 121.20 122.34 3bmo s ILE 256 Ca 0.19 -1.03 -0.17 0.00 0.00 0.00 0.00 60.65 59.64 3bmo s ILE 256 Cb -0.12 -1.86 0.00 0.00 0.01 0.00 0.00 42.46 40.50 3bmo s ILE 256 CO 0.10 0.39 0.47 -0.63 0.00 0.00 0.00 174.94 175.26 3bmo s ILE 257 N 1.30 5.05 0.17 2.92 1.01 -0.08 -4.92 121.20 126.66 3bmo s ILE 257 Ca 0.02 0.06 -0.30 0.00 0.00 0.00 0.00 60.65 60.43 3bmo s ILE 257 Cb -0.15 -3.97 -0.08 0.00 0.01 0.00 0.00 42.46 38.27 3bmo s ILE 257 CO -0.11 -0.28 1.24 -0.54 0.00 0.00 0.00 174.94 175.26 3bmo s LYS 258 N 2.27 4.45 -0.55 2.79 1.02 -1.26 -0.85 119.74 127.60 3bmo s LYS 258 Ca 0.16 1.93 0.06 0.00 0.02 0.00 0.00 55.97 58.13 3bmo s LYS 258 Cb -0.16 -3.24 0.21 0.00 -0.52 0.00 0.00 37.83 34.12 3bmo s LYS 258 CO 0.14 -0.17 0.54 0.28 -0.92 0.00 0.00 175.35 175.21 3bmo n VAL 259 N 2.74 0.68 -0.59 3.17 0.31 -0.07 -4.88 118.33 119.68 3bmo n VAL 259 Ca 0.06 -4.45 0.00 0.00 -0.01 0.00 0.00 64.34 59.94 3bmo n VAL 259 Cb 0.44 -1.99 0.00 0.00 -0.91 0.00 0.00 33.84 31.38 3bmo n VAL 259 CO 0.00 0.00 0.00 -0.90 -1.32 0.00 0.00 176.83 174.61 3bmo n ASP 260 N 1.73 0.77 -1.77 4.52 5.75 -1.26 -3.00 116.55 123.30 3bmo n ASP 260 Ca 0.25 -1.36 -0.19 0.00 -0.01 0.00 0.00 54.79 53.48 3bmo n ASP 260 Cb 0.44 0.00 -0.06 0.00 -1.03 0.00 0.00 41.12 40.46 3bmo n ASP 260 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3bmo n GLY 261 N -0.18 1.23 2.18 6.12 0.00 -1.26 -1.19 105.19 112.09 3bmo n GLY 261 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3bmo n GLY 261 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3bmo n GLY 262 N -0.51 0.80 0.23 -0.02 0.00 -1.26 -1.48 105.19 102.95 3bmo n GLY 262 Ca -0.20 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 45.81 3bmo n GLY 262 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3bmo h LEU 263 N 0.00 0.27 -1.11 0.99 5.85 -1.46 -0.80 115.31 119.05 3bmo h LEU 263 Ca 0.00 0.07 0.00 0.00 0.84 0.00 0.00 57.88 58.79 3bmo h LEU 263 Cb 0.00 0.03 0.00 0.00 0.37 0.00 0.00 40.66 41.06 3bmo h LEU 263 CO 0.00 0.17 0.00 -1.54 -0.34 0.00 0.00 178.44 176.73 3bmo n SER 264 N -4.97 0.61 -0.05 1.25 3.41 -1.26 -1.94 113.62 110.67 3bmo n SER 264 Ca 0.08 0.72 0.14 0.00 -0.26 0.00 0.00 58.87 59.54 3bmo n SER 264 Cb 0.25 -0.82 0.52 0.00 -0.26 0.00 0.00 64.21 63.89 3bmo n SER 264 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3bmo n LEU 265 N -2.25 0.35 -4.59 1.04 4.77 -0.30 -4.86 117.00 111.16 3bmo n LEU 265 Ca 0.00 0.14 -0.41 0.00 -0.03 0.00 0.00 56.01 55.71 3bmo n LEU 265 Cb 0.12 -0.29 -0.07 0.00 -2.33 0.00 0.00 43.42 40.85 3bmo n LEU 265 CO 0.14 0.07 0.34 -0.69 -1.33 0.00 0.00 177.39 175.92 3bmo s VAL 266 N -2.76 4.96 0.89 4.08 1.01 -0.82 -5.06 120.40 122.70 3bmo s VAL 266 Ca 0.20 0.72 -0.11 0.00 0.00 0.00 0.00 61.98 62.79 3bmo s VAL 266 Cb 0.19 -3.98 0.12 0.00 0.00 0.00 0.00 36.38 32.71 3bmo s VAL 266 CO 0.55 -0.15 1.09 -1.38 0.00 0.00 0.00 175.10 175.21 3bmo s HIS 267 N 2.55 2.26 -1.58 5.22 -3.43 -1.26 -5.09 115.29 113.95 3bmo s HIS 267 Ca 0.23 1.36 0.00 0.00 -0.80 0.00 0.00 55.06 55.85 3bmo s HIS 267 Cb -0.15 -3.15 0.00 0.00 -1.43 0.00 0.00 32.58 27.85 3bmo s HIS 267 CO 0.12 -2.39 0.40 0.00 -2.00 0.00 0.00 174.74 170.87