#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2c8u s HIS 5 N 0.00 3.14 -0.21 -0.67 5.65 -0.70 -5.01 115.29 117.49 2c8u s HIS 5 Ca 0.00 -0.88 -0.07 0.00 0.25 0.00 0.00 55.06 54.36 2c8u s HIS 5 Cb 0.00 -2.26 -0.03 0.00 -1.18 0.00 0.00 32.58 29.11 2c8u s HIS 5 CO 0.00 -0.54 0.05 0.42 -0.65 0.00 0.00 174.74 174.02 2c8u s ILE 6 N 1.52 4.46 -0.15 0.89 1.01 -1.26 -1.05 121.20 126.61 2c8u s ILE 6 Ca 0.03 -0.14 0.00 0.00 0.00 0.00 0.00 60.65 60.55 2c8u s ILE 6 Cb -0.17 -3.03 -0.00 0.00 0.01 0.00 0.00 42.46 39.27 2c8u s ILE 6 CO 0.03 0.41 -0.16 -0.75 0.00 0.00 0.00 174.94 174.47 2c8u s LYS 7 N 0.90 3.20 -0.38 2.79 2.20 0.13 -0.32 119.74 128.26 2c8u s LYS 7 Ca 0.03 -0.76 -0.14 0.00 -0.36 0.00 0.00 55.97 54.75 2c8u s LYS 7 Cb -0.14 -2.60 0.01 0.00 -1.51 0.00 0.00 37.83 33.59 2c8u s LYS 7 CO 0.02 0.02 0.26 0.08 -0.36 0.00 0.00 175.35 175.38 2c8u s VAL 8 N 0.80 5.13 -0.22 4.02 1.01 0.16 -0.74 120.40 130.56 2c8u s VAL 8 Ca -0.06 -0.57 -0.08 0.00 0.00 0.00 0.00 61.98 61.28 2c8u s VAL 8 Cb -0.15 -3.79 -0.04 0.00 0.00 0.00 0.00 36.38 32.40 2c8u s VAL 8 CO -0.00 -0.21 0.08 -0.63 0.00 0.00 0.00 175.10 174.34 2c8u s ILE 9 N 1.67 4.60 0.32 2.22 1.01 0.13 -0.74 121.20 130.41 2c8u s ILE 9 Ca 0.05 -0.09 -0.18 0.00 0.00 0.00 0.00 60.65 60.44 2c8u s ILE 9 Cb -0.19 -3.12 0.03 0.00 0.01 0.00 0.00 42.46 39.20 2c8u s ILE 9 CO 0.09 0.39 0.72 -0.72 0.00 0.00 0.00 174.94 175.42 2c8u s TYR 10 N 1.06 0.02 0.00 3.97 1.13 -0.69 -1.16 117.35 121.67 2c8u s TYR 10 Ca 0.04 -0.55 0.00 0.00 -1.41 0.00 0.00 57.07 55.15 2c8u s TYR 10 Cb -0.14 0.70 0.00 0.00 -1.10 0.00 0.00 41.96 41.42 2c8u s TYR 10 CO 0.03 -1.36 0.00 0.34 -2.51 0.00 0.00 175.55 172.06 2c8u n PHE 11 N -0.49 0.00 -2.06 -3.49 7.35 -1.26 -0.47 117.46 117.04 2c8u n PHE 11 Ca -0.05 0.00 -0.00 0.00 -0.76 0.00 0.00 57.45 56.63 2c8u n PHE 11 Cb 0.60 -0.08 0.00 0.00 0.35 0.00 0.00 39.48 40.35 2c8u n PHE 11 CO 0.00 0.00 0.00 0.09 -0.76 0.00 0.00 176.76 176.09 2c8u n ASN 12 N -0.93 -4.14 0.00 -2.13 3.02 -1.26 -4.23 115.26 105.60 2c8u n ASN 12 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.55 2c8u n ASN 12 Cb 0.00 -2.59 0.00 0.00 -0.61 0.00 0.00 39.78 36.58 2c8u n ASN 12 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2c8u n GLY 13 N -1.18 1.75 1.86 7.41 0.00 -1.26 -3.27 105.19 110.50 2c8u n GLY 13 Ca 0.01 -0.68 0.01 0.00 0.00 0.00 0.00 46.02 45.35 2c8u n GLY 13 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2c8u n ARG 14 N 0.00 4.11 0.00 1.61 5.12 -1.26 -4.89 116.66 121.36 2c8u n ARG 14 Ca 0.00 -3.11 0.00 0.00 -1.93 0.00 0.00 57.85 52.81 2c8u n ARG 14 Cb 0.00 -2.20 0.00 0.00 -1.16 0.00 0.00 32.46 29.10 2c8u n ARG 14 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2c8u n GLY 15 N 0.11 1.15 0.09 -0.13 0.00 -1.20 -4.93 105.19 100.27 2c8u n GLY 15 Ca 0.34 -1.77 0.11 0.00 0.00 0.00 0.00 46.02 44.69 2c8u n GLY 15 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2c8u n ARG 16 N 0.00 0.14 0.21 1.61 1.74 -1.25 -2.62 116.66 116.48 2c8u n ARG 16 Ca 0.00 0.35 0.15 0.00 -0.77 0.00 0.00 57.85 57.58 2c8u n ARG 16 Cb 0.00 -1.75 0.66 0.00 -1.02 0.00 0.00 32.46 30.35 2c8u n ARG 16 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2c8u h ALA 17 N 2.37 1.00 -0.70 7.54 0.00 -1.93 -3.29 119.26 124.24 2c8u h ALA 17 Ca 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 2c8u h ALA 17 Cb 0.35 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.11 2c8u h ALA 17 CO 0.00 0.00 0.43 0.93 0.00 0.00 0.00 179.25 180.61 2c8u h GLU 18 N 0.00 0.95 -0.23 0.00 5.08 -1.82 -0.35 114.58 118.20 2c8u h GLU 18 Ca 0.00 -0.08 -0.12 0.00 -1.00 0.00 0.00 59.36 58.17 2c8u h GLU 18 Cb 0.33 -0.20 -0.01 0.00 0.50 0.00 0.00 28.75 29.37 2c8u h GLU 18 CO 0.00 0.66 -0.36 0.66 -1.00 0.00 0.00 179.01 178.97 2c8u h SER 19 N 0.97 0.53 0.00 1.42 4.64 -1.83 0.19 113.55 119.46 2c8u h SER 19 Ca 0.25 -0.22 -0.00 0.00 -0.47 0.00 0.00 61.79 61.36 2c8u h SER 19 Cb -0.05 -0.15 0.00 0.00 -0.31 0.00 0.00 62.40 61.89 2c8u h SER 19 CO -0.05 0.85 -0.00 0.40 -0.87 0.00 0.00 176.83 177.16 2c8u h ILE 20 N 0.43 1.47 -0.36 0.95 2.04 -1.51 -2.45 117.51 118.07 2c8u h ILE 20 Ca 0.05 -1.38 -0.00 0.00 1.00 0.00 0.00 64.86 64.52 2c8u h ILE 20 Cb 0.83 2.41 -0.02 0.00 -0.74 0.00 0.00 36.82 39.29 2c8u h ILE 20 CO 0.07 0.36 0.22 1.56 0.00 0.00 0.00 178.15 180.35 2c8u h GLN 21 N -0.59 0.49 -0.76 2.37 4.20 -1.06 -2.14 115.11 117.63 2c8u h GLN 21 Ca -0.00 -0.05 -0.04 0.00 0.06 0.00 0.00 58.65 58.62 2c8u h GLN 21 Cb 0.59 -0.10 -0.03 0.00 0.30 0.00 0.00 27.48 28.23 2c8u h GLN 21 CO 0.00 0.38 0.31 0.52 -0.67 0.00 0.00 178.83 179.37 2c8u h MET 22 N 0.47 1.12 0.21 1.46 2.86 -1.04 0.03 114.93 120.03 2c8u h MET 22 Ca 0.13 -0.19 -0.00 0.00 -2.06 0.00 0.00 59.70 57.58 2c8u h MET 22 Cb 0.01 -0.19 -0.01 0.00 0.06 0.00 0.00 31.60 31.47 2c8u h MET 22 CO -0.02 0.90 -0.17 1.15 1.06 0.00 0.00 176.91 179.83 2c8u h THR 23 N 1.10 0.63 -0.57 2.22 2.02 -1.30 0.89 112.91 117.91 2c8u h THR 23 Ca 0.26 0.00 0.02 0.00 0.77 0.00 0.00 66.41 67.45 2c8u h THR 23 Cb 0.19 0.63 -0.03 0.00 -1.74 0.00 0.00 68.15 67.20 2c8u h THR 23 CO -0.02 0.00 0.36 -0.07 0.37 0.00 0.00 175.52 176.16 2c8u h LEU 24 N -0.39 0.61 -0.59 2.58 3.38 -1.21 0.12 115.31 119.81 2c8u h LEU 24 Ca -0.01 -0.01 0.03 0.00 0.09 0.00 0.00 57.88 57.99 2c8u h LEU 24 Cb 0.35 -0.14 -0.04 0.00 0.09 0.00 0.00 40.66 40.92 2c8u h LEU 24 CO -0.02 0.43 0.35 0.58 0.09 0.00 0.00 178.44 179.87 2c8u h VAL 25 N 0.73 1.04 -0.10 1.22 2.07 -0.84 0.54 116.25 120.90 2c8u h VAL 25 Ca 0.22 -0.23 -0.14 0.00 0.82 0.00 0.00 66.70 67.37 2c8u h VAL 25 Cb -0.03 0.30 -0.01 0.00 -1.52 0.00 0.00 31.29 30.03 2c8u h VAL 25 CO -0.07 0.12 -0.55 0.00 0.02 0.00 0.00 177.57 177.09 2c8u h ALA 26 N 1.28 0.89 0.00 1.67 0.00 -0.37 -2.17 119.26 120.56 2c8u h ALA 26 Ca 0.25 -0.51 0.00 0.00 0.00 0.00 0.00 54.91 54.65 2c8u h ALA 26 Cb 0.06 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.77 2c8u h ALA 26 CO -0.12 0.69 0.00 0.00 0.00 0.00 0.00 179.25 179.82 2c8u n ALA 27 N -2.48 2.33 -3.48 0.00 0.00 0.37 -4.92 120.51 112.34 2c8u n ALA 27 Ca -0.02 -0.13 -0.20 0.00 0.00 0.00 0.00 53.44 53.09 2c8u n ALA 27 Cb 0.58 -1.42 0.08 0.00 0.00 0.00 0.00 19.45 18.69 2c8u n ALA 27 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2c8u n GLY 28 N 0.85 -0.42 3.37 0.00 0.00 -0.50 -5.01 105.19 103.48 2c8u n GLY 28 Ca 0.14 0.16 -0.33 0.00 0.00 0.00 0.00 46.02 45.98 2c8u n GLY 28 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2c8u s VAL 29 N -3.33 3.16 0.35 1.61 1.01 0.06 -5.03 120.40 118.23 2c8u s VAL 29 Ca 0.31 -0.61 -0.25 0.00 0.00 0.00 0.00 61.98 61.42 2c8u s VAL 29 Cb -0.14 -2.35 -0.10 0.00 0.00 0.00 0.00 36.38 33.79 2c8u s VAL 29 CO 0.70 0.51 0.96 0.20 0.00 0.00 0.00 175.10 177.47 2c8u s ASN 30 N 0.54 7.21 0.19 3.32 0.01 -1.26 -4.40 114.94 120.56 2c8u s ASN 30 Ca -0.07 1.84 -0.21 0.00 -0.71 0.00 0.00 52.86 53.70 2c8u s ASN 30 Cb -0.15 -2.57 0.05 0.00 0.41 0.00 0.00 41.25 38.98 2c8u s ASN 30 CO 0.04 -0.16 0.60 -0.72 -1.51 0.00 0.00 177.10 175.34 2c8u s TYR 31 N -1.71 -0.35 -0.14 2.20 1.13 -1.26 -4.56 117.35 112.67 2c8u s TYR 31 Ca 0.53 0.05 -0.01 0.00 -1.41 0.00 0.00 57.07 56.22 2c8u s TYR 31 Cb -0.17 0.54 -0.02 0.00 -1.10 0.00 0.00 41.96 41.20 2c8u s TYR 31 CO 0.22 -0.94 -0.10 -2.00 -2.51 0.00 0.00 175.55 170.22 2c8u s GLU 32 N -3.82 3.47 -0.07 -3.49 2.12 0.56 -5.01 118.70 112.45 2c8u s GLU 32 Ca 0.05 -0.64 -0.23 0.00 0.36 0.00 0.00 54.97 54.51 2c8u s GLU 32 Cb -0.02 -2.72 -0.04 0.00 0.26 0.00 0.00 34.13 31.61 2c8u s GLU 32 CO -0.06 0.21 0.69 -0.51 -0.54 0.00 0.00 175.26 175.05 2c8u s ASP 33 N 0.38 6.96 -0.23 -1.70 1.01 -1.26 -0.67 116.67 121.16 2c8u s ASP 33 Ca -0.09 1.16 0.02 0.00 0.71 0.00 0.00 52.55 54.35 2c8u s ASP 33 Cb -0.15 -2.40 0.05 0.00 1.01 0.00 0.00 42.92 41.42 2c8u s ASP 33 CO 0.05 -0.11 -0.12 -0.70 0.21 0.00 0.00 175.17 174.50 2c8u s GLU 34 N 0.81 2.25 -0.19 8.23 2.12 0.08 -4.92 118.70 127.08 2c8u s GLU 34 Ca 0.37 -1.15 -0.10 0.00 0.36 0.00 0.00 54.97 54.45 2c8u s GLU 34 Cb -0.17 -2.73 -0.05 0.00 0.26 0.00 0.00 34.13 31.44 2c8u s GLU 34 CO 0.17 -0.49 0.16 0.50 -0.54 0.00 0.00 175.26 175.06 2c8u s ARG 35 N 1.21 4.16 -0.21 4.30 3.52 -1.26 -1.71 118.95 128.96 2c8u s ARG 35 Ca -0.05 -0.17 -0.06 0.00 -0.13 0.00 0.00 55.73 55.33 2c8u s ARG 35 Cb -0.18 -3.41 -0.03 0.00 -1.56 0.00 0.00 34.95 29.77 2c8u s ARG 35 CO -0.07 0.31 0.02 0.42 -0.81 0.00 0.00 175.30 175.17 2c8u s ILE 36 N 0.31 4.05 0.63 4.11 -1.09 0.38 -4.95 121.20 124.64 2c8u s ILE 36 Ca 0.10 -0.28 -0.15 0.00 -2.23 0.00 0.00 60.65 58.10 2c8u s ILE 36 Cb -0.11 -2.85 -0.02 0.00 -1.58 0.00 0.00 42.46 37.90 2c8u s ILE 36 CO -0.01 0.41 1.07 -0.94 -1.23 0.00 0.00 174.94 174.25 2c8u s SER 37 N 1.13 5.48 0.20 3.58 1.04 -1.26 -4.55 113.70 119.32 2c8u s SER 37 Ca 0.03 1.84 -0.11 0.00 0.48 0.00 0.00 55.95 58.19 2c8u s SER 37 Cb -0.14 -2.53 0.23 0.00 0.10 0.00 0.00 66.02 63.68 2c8u s SER 37 CO 0.02 -1.38 1.75 0.15 0.98 0.00 0.00 173.24 174.76 2c8u h PHE 38 N 0.09 0.36 -0.95 5.02 3.57 -1.98 -1.09 116.94 121.97 2c8u h PHE 38 Ca -0.46 0.03 0.01 0.00 3.53 0.00 0.00 57.97 61.08 2c8u h PHE 38 Cb 1.23 -0.08 -0.05 0.00 2.79 0.00 0.00 35.95 39.84 2c8u h PHE 38 CO 0.58 0.10 0.63 1.96 -2.23 0.00 0.00 178.31 179.35 2c8u h GLN 39 N 0.39 1.23 0.00 1.11 7.50 -2.05 -2.77 115.11 120.52 2c8u h GLN 39 Ca 0.28 -0.07 0.00 0.00 0.50 0.00 0.00 58.65 59.35 2c8u h GLN 39 Cb 0.32 -0.28 0.00 0.00 0.05 0.00 0.00 27.48 27.57 2c8u h GLN 39 CO -0.28 0.81 -0.37 -0.25 -1.50 0.00 0.00 178.83 177.24 2c8u n ASP 40 N -4.44 0.45 -0.20 1.46 10.43 -0.88 -4.33 116.55 119.05 2c8u n ASP 40 Ca 0.11 0.08 -0.05 0.00 2.57 0.00 0.00 54.79 57.51 2c8u n ASP 40 Cb 0.03 -0.03 0.05 0.00 1.84 0.00 0.00 41.12 43.01 2c8u n ASP 40 CO 0.00 0.00 0.00 -0.25 -1.07 0.00 0.00 177.20 175.88 2c8u h TRP 41 N 0.00 0.66 -0.82 1.24 -0.00 -0.91 -2.21 115.95 113.91 2c8u h TRP 41 Ca 0.00 0.02 0.09 0.00 -0.00 0.00 0.00 58.89 59.00 2c8u h TRP 41 Cb 0.58 -0.22 -0.06 0.00 -0.00 0.00 0.00 29.16 29.47 2c8u h TRP 41 CO 0.00 0.38 0.53 -1.35 -0.00 0.00 0.00 178.44 178.01 2c8u h PRO 42 N 0.70 0.77 0.00 2.65 0.11 -1.75 0.59 132.00 135.07 2c8u h PRO 42 Ca 0.23 -0.05 -0.03 0.00 0.11 0.00 0.00 66.00 66.26 2c8u h PRO 42 Cb 0.01 -0.17 -0.00 0.00 0.11 0.00 0.00 31.00 30.94 2c8u h PRO 42 CO -0.10 0.51 -0.23 1.57 -0.21 0.00 0.00 178.00 179.55 2c8u h LYS 43 N 0.79 0.00 0.13 1.05 2.10 -1.79 -3.34 116.57 115.51 2c8u h LYS 43 Ca 0.38 0.00 -0.33 0.00 -2.00 0.00 0.00 60.65 58.69 2c8u h LYS 43 Cb 0.40 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.72 2c8u h LYS 43 CO -0.15 0.15 -1.71 0.82 -2.00 0.00 0.00 179.45 176.56 2c8u h ILE 44 N 0.00 0.95 -0.93 0.07 1.08 -0.68 -3.40 117.51 114.61 2c8u h ILE 44 Ca -0.00 -2.61 0.19 0.00 -0.39 0.00 0.00 64.86 62.05 2c8u h ILE 44 Cb 1.12 2.68 -0.18 0.00 -3.07 0.00 0.00 36.82 37.38 2c8u h ILE 44 CO 0.02 0.82 -0.20 0.50 -0.69 0.00 0.00 178.15 178.60 2c8u h LYS 45 N 0.08 0.00 0.00 2.37 3.64 -1.04 -0.50 116.57 121.12 2c8u h LYS 45 Ca -0.31 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.07 2c8u h LYS 45 Cb 2.05 -0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.87 2c8u h LYS 45 CO 0.15 0.00 0.00 -1.00 -2.27 0.00 0.00 179.45 176.33 2c8u h PRO 46 N 0.00 0.00 -0.00 1.90 0.13 -1.79 -1.61 132.00 130.63 2c8u h PRO 46 Ca 0.46 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.59 2c8u h PRO 46 Cb 0.74 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.87 2c8u h PRO 46 CO -0.94 0.00 -0.17 0.25 -0.23 0.00 0.00 178.00 176.91 2c8u n THR 47 N -2.47 0.00 -3.71 1.56 -2.24 -0.20 -4.76 114.28 102.46 2c8u n THR 47 Ca 0.01 -0.08 -0.37 0.00 -2.27 0.00 0.00 64.05 61.33 2c8u n THR 47 Cb 0.20 0.08 -0.12 0.00 -2.10 0.00 0.00 70.33 68.40 2c8u n THR 47 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 2c8u s ILE 48 N -2.51 4.43 0.17 2.28 -1.09 -0.61 -5.06 121.20 118.81 2c8u s ILE 48 Ca 0.26 -0.32 -0.32 0.00 -2.23 0.00 0.00 60.65 58.05 2c8u s ILE 48 Cb 0.20 -3.17 -0.11 0.00 -1.58 0.00 0.00 42.46 37.79 2c8u s ILE 48 CO 0.50 0.20 1.76 -2.84 -1.23 0.00 0.00 174.94 173.33 2c8u s PRO 49 N 1.61 4.13 0.00 2.79 0.02 -1.26 -0.19 135.00 142.09 2c8u s PRO 49 Ca 0.05 2.59 0.00 0.00 0.02 0.00 0.00 61.00 63.66 2c8u s PRO 49 Cb -0.16 -3.31 0.00 0.00 0.02 0.00 0.00 34.50 31.05 2c8u s PRO 49 CO 0.05 -0.79 0.00 0.41 -0.33 0.00 0.00 177.00 176.34 2c8u n GLY 50 N 4.08 2.42 2.45 0.52 0.00 -1.26 -4.43 105.19 108.96 2c8u n GLY 50 Ca 0.17 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.98 2c8u n GLY 50 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2c8u n GLY 51 N -2.00 -0.47 3.03 -0.02 0.00 0.73 -5.00 105.19 101.46 2c8u n GLY 51 Ca 0.00 -0.02 -0.20 0.00 0.00 0.00 0.00 46.02 45.81 2c8u n GLY 51 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2c8u s ARG 52 N -5.08 0.85 0.19 1.61 0.52 -1.26 -5.01 118.95 110.78 2c8u s ARG 52 Ca 0.03 -0.35 0.08 0.00 -0.52 0.00 0.00 55.73 54.97 2c8u s ARG 52 Cb -0.01 -0.82 -0.04 0.00 0.52 0.00 0.00 34.95 34.60 2c8u s ARG 52 CO 0.04 0.20 -0.00 -0.51 0.02 0.00 0.00 175.30 175.04 2c8u s LEU 53 N -0.15 3.28 0.67 2.53 1.43 -1.26 -4.39 118.68 120.79 2c8u s LEU 53 Ca 0.02 -0.44 -0.14 0.00 -1.03 0.00 0.00 54.13 52.54 2c8u s LEU 53 Cb -0.05 -1.91 0.00 0.00 0.03 0.00 0.00 46.19 44.26 2c8u s LEU 53 CO -0.00 0.07 1.09 -2.84 0.23 0.00 0.00 176.35 174.90 2c8u s PRO 54 N -3.07 2.84 0.04 1.29 0.02 -1.26 -4.98 135.00 129.88 2c8u s PRO 54 Ca 0.28 1.25 -0.06 0.00 0.02 0.00 0.00 61.00 62.49 2c8u s PRO 54 Cb -0.09 -1.97 -0.01 0.00 0.02 0.00 0.00 34.50 32.46 2c8u s PRO 54 CO 0.19 -1.20 0.11 0.00 -0.33 0.00 0.00 177.00 175.76 2c8u s ALA 55 N -2.57 -0.10 -0.15 -1.55 0.00 -0.31 -4.27 121.76 112.81 2c8u s ALA 55 Ca 0.64 -0.52 0.02 0.00 0.00 0.00 0.00 51.96 52.10 2c8u s ALA 55 Cb -0.18 0.25 0.01 0.00 0.00 0.00 0.00 23.12 23.21 2c8u s ALA 55 CO 0.45 -0.32 -0.22 0.08 0.00 0.00 0.00 175.76 175.75 2c8u s VAL 56 N -2.60 2.06 -0.23 0.00 1.01 0.02 0.18 120.40 120.84 2c8u s VAL 56 Ca -0.05 -0.97 -0.07 0.00 0.00 0.00 0.00 61.98 60.89 2c8u s VAL 56 Cb -0.01 -1.83 -0.03 0.00 0.00 0.00 0.00 36.38 34.51 2c8u s VAL 56 CO -0.04 0.55 0.05 -0.75 0.00 0.00 0.00 175.10 174.90 2c8u s LYS 57 N 0.91 3.65 -0.26 2.72 2.20 0.08 -0.70 119.74 128.35 2c8u s LYS 57 Ca -0.05 -0.49 -0.04 0.00 -0.36 0.00 0.00 55.97 55.04 2c8u s LYS 57 Cb -0.15 -3.24 0.01 0.00 -1.51 0.00 0.00 37.83 32.95 2c8u s LYS 57 CO -0.04 -0.11 -0.01 0.42 -0.36 0.00 0.00 175.35 175.25 2c8u s ILE 58 N 1.37 3.36 -0.20 5.43 1.01 0.51 -0.69 121.20 131.99 2c8u s ILE 58 Ca 0.05 -0.78 -0.03 0.00 0.00 0.00 0.00 60.65 59.90 2c8u s ILE 58 Cb -0.15 -2.67 -0.01 0.00 0.01 0.00 0.00 42.46 39.65 2c8u s ILE 58 CO 0.03 0.22 -0.07 -0.89 0.00 0.00 0.00 174.94 174.22 2c8u s THR 59 N 1.42 3.20 0.64 2.92 2.01 -0.22 -1.05 115.64 124.57 2c8u s THR 59 Ca 0.02 -0.56 -0.08 0.00 0.31 0.00 0.00 61.69 61.38 2c8u s THR 59 Cb -0.16 -2.43 0.14 0.00 0.01 0.00 0.00 72.50 70.06 2c8u s THR 59 CO -0.02 0.45 0.88 -0.90 -0.69 0.00 0.00 174.62 174.34 2c8u n ASP 60 N 4.52 0.34 0.30 3.53 5.68 -0.94 -1.71 116.55 128.27 2c8u n ASP 60 Ca -0.18 -1.49 0.19 0.00 -0.50 0.00 0.00 54.79 52.81 2c8u n ASP 60 Cb 0.51 -0.65 0.84 0.00 -1.14 0.00 0.00 41.12 40.68 2c8u n ASP 60 CO 0.00 0.00 0.00 -0.55 -1.33 0.00 0.00 177.20 175.32 2c8u h ASN 61 N -1.00 0.00 -0.21 -1.12 -0.00 -2.00 -2.61 115.58 108.65 2c8u h ASN 61 Ca -0.29 0.00 0.00 0.00 -0.00 0.00 0.00 56.30 56.01 2c8u h ASN 61 Cb 0.85 0.00 0.00 0.00 -0.00 0.00 0.00 38.32 39.17 2c8u h ASN 61 CO 0.23 0.00 0.00 1.41 -0.00 0.00 0.00 177.43 179.07 2c8u n HIS 62 N -3.10 0.26 -1.01 4.14 8.25 -1.26 -4.93 115.22 117.58 2c8u n HIS 62 Ca -0.00 -0.13 -0.00 0.00 -0.26 0.00 0.00 57.72 57.32 2c8u n HIS 62 Cb 0.24 0.00 -0.00 0.00 1.12 0.00 0.00 29.99 31.35 2c8u n HIS 62 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2c8u n GLY 63 N 1.22 0.45 3.77 -1.41 0.00 -0.98 -5.02 105.19 103.21 2c8u n GLY 63 Ca 0.17 -0.08 -0.40 0.00 0.00 0.00 0.00 46.02 45.70 2c8u n GLY 63 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2c8u s HIS 64 N -1.90 3.17 -0.17 1.61 3.76 -1.26 -4.86 115.29 115.64 2c8u s HIS 64 Ca 0.00 1.51 -0.01 0.00 -0.15 0.00 0.00 55.06 56.42 2c8u s HIS 64 Cb 0.00 -3.52 -0.00 0.00 1.11 0.00 0.00 32.58 30.16 2c8u s HIS 64 CO 0.00 -1.44 -0.13 0.08 -0.85 0.00 0.00 174.74 172.40 2c8u s VAL 65 N -1.21 2.80 -0.11 -0.90 1.01 -1.26 -2.22 120.40 118.51 2c8u s VAL 65 Ca 0.50 -0.72 0.01 0.00 0.00 0.00 0.00 61.98 61.77 2c8u s VAL 65 Cb -0.36 -2.20 -0.01 0.00 0.00 0.00 0.00 36.38 33.81 2c8u s VAL 65 CO 0.47 0.50 -0.15 -0.75 0.00 0.00 0.00 175.10 175.17 2c8u s LYS 66 N 0.91 3.22 -0.10 2.72 2.20 -0.22 -5.00 119.74 123.47 2c8u s LYS 66 Ca -0.03 -0.72 -0.02 0.00 -0.36 0.00 0.00 55.97 54.83 2c8u s LYS 66 Cb -0.15 -2.54 -0.03 0.00 -1.51 0.00 0.00 37.83 33.60 2c8u s LYS 66 CO -0.01 0.26 -0.00 -1.58 -0.36 0.00 0.00 175.35 173.66 2c8u s TRP 67 N 0.22 3.14 -0.05 4.03 0.52 -1.26 -0.36 118.94 125.17 2c8u s TRP 67 Ca -0.10 0.10 0.04 0.00 0.02 0.00 0.00 56.10 56.17 2c8u s TRP 67 Cb -0.16 -1.84 -0.00 0.00 -1.15 0.00 0.00 33.47 30.32 2c8u s TRP 67 CO 0.06 0.36 -0.18 -1.64 0.02 0.00 0.00 176.95 175.56 2c8u s MET 68 N -0.57 1.97 0.32 4.98 -1.94 0.12 -5.01 119.30 119.17 2c8u s MET 68 Ca 0.10 -0.65 0.06 0.00 -1.71 0.00 0.00 55.69 53.49 2c8u s MET 68 Cb -0.12 -1.67 -0.06 0.00 2.01 0.00 0.00 34.83 34.99 2c8u s MET 68 CO 0.02 0.23 -0.02 0.14 -0.01 0.00 0.00 175.02 175.39 2c8u s VAL 69 N 0.10 1.61 -0.10 -6.03 -7.23 -1.26 -0.80 120.40 106.69 2c8u s VAL 69 Ca -0.06 -2.08 -0.03 0.00 -1.81 0.00 0.00 61.98 58.00 2c8u s VAL 69 Cb -0.13 -2.64 0.01 0.00 0.56 0.00 0.00 36.38 34.18 2c8u s VAL 69 CO 0.03 -0.16 0.06 -0.62 -0.31 0.00 0.00 175.10 174.10 2c8u n GLU 70 N -0.68 -1.67 -0.34 4.82 -0.58 -1.26 -4.39 120.64 116.53 2c8u n GLU 70 Ca -0.04 1.58 0.03 0.00 -0.42 0.00 0.00 57.16 58.31 2c8u n GLU 70 Cb 0.65 -2.70 0.17 0.00 -0.57 0.00 0.00 31.44 28.99 2c8u n GLU 70 CO 0.00 0.00 0.00 0.66 -0.48 0.00 0.00 177.13 177.31 2c8u h SER 71 N 1.47 0.90 1.85 1.62 4.64 -1.91 -1.11 113.55 121.01 2c8u h SER 71 Ca -0.13 0.02 -0.01 0.00 -0.47 0.00 0.00 61.79 61.20 2c8u h SER 71 Cb 0.30 -0.16 -0.00 0.00 -0.31 0.00 0.00 62.40 62.23 2c8u h SER 71 CO 0.02 0.55 -0.06 -0.07 -0.87 0.00 0.00 176.83 176.40 2c8u h LEU 72 N 1.02 0.00 -0.30 5.97 3.38 -1.92 -0.11 115.31 123.36 2c8u h LEU 72 Ca 0.41 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 58.29 2c8u h LEU 72 Cb 0.24 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.98 2c8u h LEU 72 CO -0.20 0.06 -0.20 0.00 0.09 0.00 0.00 178.44 178.19 2c8u h ALA 73 N 1.94 0.43 0.11 1.53 0.00 -1.62 -1.43 119.26 120.22 2c8u h ALA 73 Ca -0.00 -0.36 -0.01 0.00 0.00 0.00 0.00 54.91 54.55 2c8u h ALA 73 Cb 1.00 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.70 2c8u h ALA 73 CO 0.01 0.37 -0.05 0.82 0.00 0.00 0.00 179.25 180.40 2c8u h ILE 74 N 0.42 0.90 -0.97 0.00 2.04 -1.11 -1.73 117.51 117.05 2c8u h ILE 74 Ca 0.06 -0.02 0.06 0.00 1.00 0.00 0.00 64.86 65.97 2c8u h ILE 74 Cb 0.74 0.91 -0.06 0.00 -0.74 0.00 0.00 36.82 37.67 2c8u h ILE 74 CO 0.05 0.00 0.62 0.00 0.00 0.00 0.00 178.15 178.83 2c8u h ALA 75 N 0.74 1.34 -0.50 1.87 0.00 -1.06 -1.68 119.26 119.97 2c8u h ALA 75 Ca -0.01 -0.02 -0.11 0.00 0.00 0.00 0.00 54.91 54.76 2c8u h ALA 75 Cb 0.12 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.60 2c8u h ALA 75 CO 0.02 0.42 -0.12 0.00 0.00 0.00 0.00 179.25 179.57 2c8u h ARG 76 N 1.14 0.96 0.16 0.00 3.08 -1.15 0.00 114.38 118.58 2c8u h ARG 76 Ca 0.42 -0.37 0.01 0.00 0.07 0.00 0.00 59.98 60.11 2c8u h ARG 76 Cb 0.15 -0.05 -0.03 0.00 0.08 0.00 0.00 29.97 30.12 2c8u h ARG 76 CO -0.17 1.04 -0.25 -0.92 -1.07 0.00 0.00 179.97 178.61 2c8u h TYR 77 N 0.82 -0.65 -0.66 3.04 5.03 -0.88 0.30 116.97 123.98 2c8u h TYR 77 Ca 0.13 0.01 -0.05 0.00 2.58 0.00 0.00 58.73 61.40 2c8u h TYR 77 Cb 0.68 0.27 -0.03 0.00 1.55 0.00 0.00 36.73 39.20 2c8u h TYR 77 CO 0.05 -0.35 0.23 0.52 -1.32 0.00 0.00 178.16 177.29 2c8u h MET 78 N -0.47 1.01 -0.43 1.82 2.86 -1.29 -0.64 114.93 117.79 2c8u h MET 78 Ca 0.02 -0.20 -0.02 0.00 -2.06 0.00 0.00 59.70 57.43 2c8u h MET 78 Cb 0.48 -0.15 -0.02 0.00 0.06 0.00 0.00 31.60 31.96 2c8u h MET 78 CO -0.11 0.87 0.20 0.00 1.06 0.00 0.00 176.91 178.93 2c8u h ALA 79 N 1.10 0.56 -0.46 6.32 0.00 -0.83 -2.49 119.26 123.45 2c8u h ALA 79 Ca 0.22 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 55.01 2c8u h ALA 79 Cb 0.26 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 2c8u h ALA 79 CO -0.01 0.13 0.30 -0.22 0.00 0.00 0.00 179.25 179.45 2c8u h LYS 80 N 0.56 0.61 0.00 0.00 3.64 -0.05 0.28 116.57 121.61 2c8u h LYS 80 Ca 0.15 -0.04 -0.01 0.00 -1.27 0.00 0.00 60.65 59.47 2c8u h LYS 80 Cb 0.14 -0.13 -0.00 0.00 -0.41 0.00 0.00 32.23 31.82 2c8u h LYS 80 CO -0.02 0.42 -0.05 0.87 -2.27 0.00 0.00 179.45 178.41 2c8u h LYS 81 N 0.62 0.00 -0.37 1.90 1.57 -1.04 -2.88 116.57 116.36 2c8u h LYS 81 Ca 0.17 0.00 -0.25 0.00 -1.87 0.00 0.00 60.65 58.69 2c8u h LYS 81 Cb -0.05 0.00 -0.18 0.00 0.08 0.00 0.00 32.23 32.09 2c8u h LYS 81 CO -0.03 0.05 -0.43 0.72 -0.57 0.00 0.00 179.45 179.18 2c8u n HIS 82 N -4.15 1.30 -3.73 -1.35 8.25 -0.91 -4.98 115.22 109.65 2c8u n HIS 82 Ca -0.03 -1.84 -0.26 0.00 -0.26 0.00 0.00 57.72 55.34 2c8u n HIS 82 Cb 0.13 -0.40 0.05 0.00 1.12 0.00 0.00 29.99 30.89 2c8u n HIS 82 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 2c8u n HIS 83 N -0.98 -2.47 -1.41 4.41 8.25 -0.86 -4.90 115.22 117.25 2c8u n HIS 83 Ca 0.33 0.95 0.08 0.00 -0.26 0.00 0.00 57.72 58.81 2c8u n HIS 83 Cb 0.86 -4.53 0.16 0.00 1.12 0.00 0.00 29.99 27.60 2c8u n HIS 83 CO 0.00 0.00 0.00 -1.33 0.64 0.00 0.00 176.34 175.65 2c8u n MET 84 N -4.72 1.32 -0.34 -0.41 2.81 0.94 -4.63 117.12 112.09 2c8u n MET 84 Ca -0.04 -2.82 0.07 0.00 -1.81 0.00 0.00 57.70 53.10 2c8u n MET 84 Cb 0.57 -1.45 0.14 0.00 -0.71 0.00 0.00 33.22 31.76 2c8u n MET 84 CO 0.00 0.00 0.00 -1.33 1.51 0.00 0.00 175.97 176.15 2c8u n MET 85 N -1.16 1.15 0.00 0.03 2.00 -1.25 -0.27 117.12 117.62 2c8u n MET 85 Ca 0.16 -2.57 0.00 0.00 0.00 0.00 0.00 57.70 55.30 2c8u n MET 85 Cb 0.69 -1.34 0.00 0.00 0.00 0.00 0.00 33.22 32.57 2c8u n MET 85 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 2c8u n GLY 86 N -1.09 -0.26 0.02 3.03 0.00 -1.26 -3.94 105.19 101.69 2c8u n GLY 86 Ca 0.14 -1.51 0.10 0.00 0.00 0.00 0.00 46.02 44.75 2c8u n GLY 86 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2c8u n GLY 87 N 0.31 -0.93 3.23 -0.02 0.00 -1.26 -4.69 105.19 101.83 2c8u n GLY 87 Ca 0.00 -0.59 -0.13 0.00 0.00 0.00 0.00 46.02 45.30 2c8u n GLY 87 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2c8u s THR 88 N -2.95 0.45 0.41 2.61 -4.23 -1.26 -5.01 115.64 105.65 2c8u s THR 88 Ca 0.08 -1.97 0.08 0.00 -1.18 0.00 0.00 61.69 58.71 2c8u s THR 88 Cb 0.16 -2.24 0.28 0.00 1.34 0.00 0.00 72.50 72.04 2c8u s THR 88 CO 0.84 -0.33 2.03 -0.33 -0.54 0.00 0.00 174.62 176.29 2c8u h GLU 89 N 2.67 0.54 -0.15 3.99 5.08 -1.97 0.48 114.58 125.23 2c8u h GLU 89 Ca -0.37 -0.03 -0.14 0.00 -1.00 0.00 0.00 59.36 57.82 2c8u h GLU 89 Cb 1.22 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 30.33 2c8u h GLU 89 CO 0.61 0.36 -0.51 1.49 -1.00 0.00 0.00 179.01 179.95 2c8u h GLU 90 N 0.55 0.41 -0.30 2.33 4.81 -1.99 -1.20 114.58 119.19 2c8u h GLU 90 Ca 0.20 -0.24 -0.15 0.00 -0.13 0.00 0.00 59.36 59.05 2c8u h GLU 90 Cb 0.12 0.02 -0.00 0.00 0.63 0.00 0.00 28.75 29.52 2c8u h GLU 90 CO -0.05 0.83 -0.38 0.93 -0.73 0.00 0.00 179.01 179.60 2c8u h GLU 91 N 0.32 0.79 -0.29 1.92 5.08 -1.68 -2.06 114.58 118.68 2c8u h GLU 91 Ca 0.01 -0.45 0.06 0.00 -1.00 0.00 0.00 59.36 57.98 2c8u h GLU 91 Cb 1.01 0.03 -0.05 0.00 0.50 0.00 0.00 28.75 30.24 2c8u h GLU 91 CO 0.09 1.08 -0.07 -0.92 -1.00 0.00 0.00 179.01 178.19 2c8u h TYR 92 N 0.56 -0.15 -0.51 4.33 3.20 -0.89 0.80 116.97 124.31 2c8u h TYR 92 Ca 0.04 0.03 0.07 0.00 3.14 0.00 0.00 58.73 62.01 2c8u h TYR 92 Cb 0.97 0.11 -0.06 0.00 1.54 0.00 0.00 36.73 39.29 2c8u h TYR 92 CO 0.07 -0.12 0.18 -0.92 -1.64 0.00 0.00 178.16 175.73 2c8u h TYR 93 N 0.00 0.31 0.00 -3.82 5.03 -1.15 -0.74 116.97 116.60 2c8u h TYR 93 Ca 0.14 0.03 -0.06 0.00 2.58 0.00 0.00 58.73 61.41 2c8u h TYR 93 Cb 0.21 -0.06 -0.01 0.00 1.55 0.00 0.00 36.73 38.42 2c8u h TYR 93 CO -0.28 0.09 -0.30 -0.91 -1.32 0.00 0.00 178.16 175.45 2c8u h ASN 94 N 0.35 0.00 -0.13 -2.11 2.35 -0.86 0.27 115.58 115.45 2c8u h ASN 94 Ca 0.25 0.00 -0.03 0.00 -0.55 0.00 0.00 56.30 55.97 2c8u h ASN 94 Cb 0.27 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.64 2c8u h ASN 94 CO -0.26 0.30 -0.04 0.58 -1.65 0.00 0.00 177.43 176.36 2c8u h VAL 95 N 0.00 1.30 -0.48 2.81 2.07 -0.12 -2.76 116.25 119.06 2c8u h VAL 95 Ca -0.00 -1.02 -0.06 0.00 0.82 0.00 0.00 66.70 66.43 2c8u h VAL 95 Cb 0.53 1.72 -0.02 0.00 -1.52 0.00 0.00 31.29 32.00 2c8u h VAL 95 CO 0.04 0.30 0.05 -0.33 0.02 0.00 0.00 177.57 177.64 2c8u h GLU 96 N -0.07 0.77 0.05 1.57 4.39 -0.78 -0.94 114.58 119.57 2c8u h GLU 96 Ca 0.03 -0.18 0.02 0.00 0.34 0.00 0.00 59.36 59.57 2c8u h GLU 96 Cb 0.48 -0.10 -0.03 0.00 -0.10 0.00 0.00 28.75 29.00 2c8u h GLU 96 CO 0.01 0.75 -0.20 -0.22 -1.16 0.00 0.00 179.01 178.19 2c8u h LYS 97 N 0.73 -0.33 -0.28 2.33 3.64 -0.48 -0.10 116.57 122.07 2c8u h LYS 97 Ca 0.15 0.02 -0.13 0.00 -1.27 0.00 0.00 60.65 59.43 2c8u h LYS 97 Cb 0.38 0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 32.26 2c8u h LYS 97 CO 0.01 -0.22 -0.35 1.25 -2.27 0.00 0.00 179.45 177.87 2c8u h LEU 98 N -0.35 0.65 -0.53 5.20 5.85 -1.29 -1.44 115.31 123.40 2c8u h LEU 98 Ca 0.04 -0.27 0.00 0.00 0.84 0.00 0.00 57.88 58.50 2c8u h LEU 98 Cb 0.40 -0.18 -0.03 0.00 0.37 0.00 0.00 40.66 41.22 2c8u h LEU 98 CO -0.15 0.94 0.35 0.40 -0.34 0.00 0.00 178.44 179.63 2c8u h ILE 99 N 0.52 1.14 -0.68 4.05 2.04 -1.03 -1.09 117.51 122.46 2c8u h ILE 99 Ca 0.06 -0.25 -0.01 0.00 1.00 0.00 0.00 64.86 65.65 2c8u h ILE 99 Cb 0.84 0.37 -0.03 0.00 -0.74 0.00 0.00 36.82 37.26 2c8u h ILE 99 CO 0.07 0.13 0.38 1.23 0.00 0.00 0.00 178.15 179.96 2c8u h GLY 100 N 0.71 1.00 0.90 5.37 0.00 -0.57 -0.56 103.07 109.92 2c8u h GLY 100 Ca 0.19 -0.44 -0.02 0.00 0.00 0.00 0.00 47.33 47.06 2c8u h GLY 100 CO -0.04 0.43 0.09 1.46 0.00 0.00 0.00 176.54 178.48 2c8u h GLN 101 N 0.92 0.40 -0.67 4.80 4.20 -1.08 -1.79 115.11 121.90 2c8u h GLN 101 Ca 0.24 -0.08 -0.03 0.00 0.06 0.00 0.00 58.65 58.84 2c8u h GLN 101 Cb 0.02 -0.06 -0.03 0.00 0.30 0.00 0.00 27.48 27.71 2c8u h GLN 101 CO -0.04 0.45 0.30 0.00 -0.67 0.00 0.00 178.83 178.87 2c8u h ALA 102 N 0.93 1.27 -0.02 3.87 0.00 -1.04 -2.39 119.26 121.88 2c8u h ALA 102 Ca 0.09 -0.15 -0.11 0.00 0.00 0.00 0.00 54.91 54.74 2c8u h ALA 102 Cb 0.21 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 2c8u h ALA 102 CO -0.00 0.55 -0.49 0.93 0.00 0.00 0.00 179.25 180.24 2c8u h GLU 103 N 0.95 0.04 -0.72 0.00 5.08 -0.93 0.13 114.58 119.14 2c8u h GLU 103 Ca 0.23 -0.02 -0.04 0.00 -1.00 0.00 0.00 59.36 58.52 2c8u h GLU 103 Cb 0.13 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.35 2c8u h GLU 103 CO -0.03 0.52 0.27 -0.44 -1.00 0.00 0.00 179.01 178.33 2c8u h ASP 104 N 0.03 0.99 -0.14 1.42 3.45 -1.00 -0.70 116.42 120.47 2c8u h ASP 104 Ca -0.00 -0.15 -0.04 0.00 0.43 0.00 0.00 57.03 57.27 2c8u h ASP 104 Cb 0.87 -0.26 -0.00 0.00 -0.56 0.00 0.00 39.33 39.38 2c8u h ASP 104 CO 0.07 0.89 -0.06 0.25 -1.57 0.00 0.00 179.24 178.82 2c8u h LEU 105 N 1.05 0.29 -1.23 1.55 5.85 -0.91 -2.92 115.31 118.98 2c8u h LEU 105 Ca 0.24 -0.40 0.20 0.00 0.84 0.00 0.00 57.88 58.76 2c8u h LEU 105 Cb 0.22 -0.08 -0.09 0.00 0.37 0.00 0.00 40.66 41.08 2c8u h LEU 105 CO -0.02 0.62 0.61 -0.08 -0.34 0.00 0.00 178.44 179.24 2c8u h GLU 106 N -0.05 0.59 -0.38 1.25 4.57 -0.62 -1.75 114.58 118.19 2c8u h GLU 106 Ca 0.03 -0.04 -0.09 0.00 -1.18 0.00 0.00 59.36 58.09 2c8u h GLU 106 Cb 0.51 -0.13 -0.02 0.00 -0.16 0.00 0.00 28.75 28.95 2c8u h GLU 106 CO 0.02 0.39 -0.13 0.45 -1.18 0.00 0.00 179.01 178.56 2c8u h HIS 107 N 0.61 0.73 0.10 0.92 3.86 -0.94 0.74 115.15 121.16 2c8u h HIS 107 Ca 0.54 -0.13 -0.00 0.00 -1.16 0.00 0.00 60.37 59.61 2c8u h HIS 107 Cb 1.04 -0.19 0.00 0.00 1.06 0.00 0.00 27.41 29.32 2c8u h HIS 107 CO -0.00 0.77 -0.05 0.93 0.86 0.00 0.00 177.93 180.44 2c8u h GLU 108 N 0.61 -0.12 -0.98 2.45 4.39 -1.20 -2.67 114.58 117.05 2c8u h GLU 108 Ca 0.10 0.01 0.16 0.00 0.34 0.00 0.00 59.36 59.97 2c8u h GLU 108 Cb 0.57 0.03 -0.09 0.00 -0.10 0.00 0.00 28.75 29.16 2c8u h GLU 108 CO 0.04 0.02 0.61 -0.92 -1.16 0.00 0.00 179.01 177.60 2c8u h TYR 109 N -0.24 1.02 -0.19 4.33 3.20 -1.17 -1.37 116.97 122.55 2c8u h TYR 109 Ca -0.01 0.03 -0.00 0.00 3.14 0.00 0.00 58.73 61.88 2c8u h TYR 109 Cb 0.20 -0.32 -0.01 0.00 1.54 0.00 0.00 36.73 38.14 2c8u h TYR 109 CO -0.04 0.31 0.10 1.88 -1.64 0.00 0.00 178.16 178.77 2c8u h TYR 110 N 0.81 0.25 -0.02 -3.82 0.99 -0.51 -2.47 116.97 112.19 2c8u h TYR 110 Ca 0.53 0.00 0.00 0.00 2.00 0.00 0.00 58.73 61.26 2c8u h TYR 110 Cb 0.76 -0.08 -0.00 0.00 1.00 0.00 0.00 36.73 38.40 2c8u h TYR 110 CO -0.00 0.18 0.04 0.87 -0.00 0.00 0.00 178.16 179.25 2c8u h LYS 111 N 0.26 0.00 0.00 4.88 1.57 -1.05 -1.68 116.57 120.55 2c8u h LYS 111 Ca 0.07 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.85 2c8u h LYS 111 Cb 0.02 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.33 2c8u h LYS 111 CO -0.01 0.00 -0.59 1.79 -0.57 0.00 0.00 179.45 180.07 2c8u h THR 112 N 0.00 0.00 -3.88 -0.16 1.35 -1.57 -3.48 112.91 105.17 2c8u h THR 112 Ca 0.01 -0.64 -0.50 0.00 -0.55 0.00 0.00 66.41 64.73 2c8u h THR 112 Cb 0.08 1.28 0.02 0.00 -1.73 0.00 0.00 68.15 67.80 2c8u h THR 112 CO -0.00 0.00 0.45 -0.76 -0.25 0.00 0.00 175.52 174.96 2c8u s LEU 113 N -4.67 4.35 -1.43 3.87 1.43 -0.64 -3.84 118.68 117.76 2c8u s LEU 113 Ca 0.05 2.18 0.00 0.00 -1.03 0.00 0.00 54.13 55.33 2c8u s LEU 113 Cb 0.12 -3.89 0.00 0.00 0.03 0.00 0.00 46.19 42.44 2c8u s LEU 113 CO 0.72 -0.34 0.00 0.23 0.23 0.00 0.00 176.35 177.19 2c8u n MET 114 N 0.57 -1.25 -3.91 1.70 2.81 -1.26 -5.01 117.12 110.77 2c8u n MET 114 Ca 0.02 0.83 -0.28 0.00 -1.81 0.00 0.00 57.70 56.45 2c8u n MET 114 Cb 0.47 -5.18 -0.03 0.00 -0.71 0.00 0.00 33.22 27.76 2c8u n MET 114 CO 0.00 0.00 0.00 0.15 1.51 0.00 0.00 175.97 177.63 2c8u s LYS 115 N -4.55 3.45 0.15 0.03 3.01 -1.25 -5.07 119.74 115.51 2c8u s LYS 115 Ca 0.00 -0.50 -0.31 0.00 -1.01 0.00 0.00 55.97 54.15 2c8u s LYS 115 Cb 0.00 -2.99 -0.08 0.00 -1.01 0.00 0.00 37.83 33.75 2c8u s LYS 115 CO 0.00 0.55 1.34 -1.25 0.51 0.00 0.00 175.35 176.50 2c8u s PRO 116 N -2.93 4.36 0.31 -1.68 0.04 -1.26 -4.80 135.00 129.03 2c8u s PRO 116 Ca 0.35 2.04 0.21 0.00 0.04 0.00 0.00 61.00 63.64 2c8u s PRO 116 Cb -0.12 -3.23 1.07 0.00 0.04 0.00 0.00 34.50 32.26 2c8u s PRO 116 CO 0.28 -0.34 1.16 -1.91 0.04 0.00 0.00 177.00 176.24 2c8u n GLU 117 N 3.32 -0.03 0.00 4.56 4.07 -1.26 -1.39 120.64 129.91 2c8u n GLU 117 Ca 0.09 0.96 0.00 0.00 -0.06 0.00 0.00 57.16 58.15 2c8u n GLU 117 Cb 0.43 -1.83 0.00 0.00 -0.06 0.00 0.00 31.44 29.97 2c8u n GLU 117 CO 0.00 0.00 0.00 -0.85 -0.06 0.00 0.00 177.13 176.22 2c8u n GLU 118 N -4.36 0.00 0.23 5.31 0.28 -1.26 -0.80 120.64 120.03 2c8u n GLU 118 Ca 0.29 0.68 0.10 0.00 -0.16 0.00 0.00 57.16 58.06 2c8u n GLU 118 Cb 1.08 -1.42 0.51 0.00 1.43 0.00 0.00 31.44 33.04 2c8u n GLU 118 CO 0.00 0.00 0.00 1.05 -0.16 0.00 0.00 177.13 178.02 2c8u h GLU 119 N 0.00 0.00 -0.40 3.44 4.11 -1.62 -2.47 114.58 117.65 2c8u h GLU 119 Ca 0.00 0.00 0.01 0.00 0.07 0.00 0.00 59.36 59.44 2c8u h GLU 119 Cb 0.00 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.23 2c8u h GLU 119 CO 0.00 0.23 0.25 -0.22 0.07 0.00 0.00 179.01 179.34 2c8u h LYS 120 N 0.00 0.49 -0.86 1.06 3.64 -1.30 0.41 116.57 120.01 2c8u h LYS 120 Ca -0.00 -0.03 -0.01 0.00 -1.27 0.00 0.00 60.65 59.34 2c8u h LYS 120 Cb 0.66 -0.11 -0.04 0.00 -0.41 0.00 0.00 32.23 32.32 2c8u h LYS 120 CO 0.03 0.33 0.51 1.96 -2.27 0.00 0.00 179.45 180.00 2c8u h GLN 121 N 0.51 1.18 -0.43 1.90 4.20 -0.51 0.18 115.11 122.13 2c8u h GLN 121 Ca 0.15 -0.12 -0.12 0.00 0.06 0.00 0.00 58.65 58.63 2c8u h GLN 121 Cb -0.03 -0.24 -0.01 0.00 0.30 0.00 0.00 27.48 27.50 2c8u h GLN 121 CO -0.05 0.84 -0.20 -0.22 -0.67 0.00 0.00 178.83 178.53 2c8u h LYS 122 N 1.19 0.85 -0.07 1.46 3.64 -1.14 -2.32 116.57 120.18 2c8u h LYS 122 Ca 0.31 -0.34 -0.06 0.00 -1.27 0.00 0.00 60.65 59.29 2c8u h LYS 122 Cb -0.02 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 31.76 2c8u h LYS 122 CO -0.06 0.97 -0.21 0.82 -2.27 0.00 0.00 179.45 178.71 2c8u h ILE 123 N 0.74 1.43 -0.38 2.00 2.04 0.25 -1.63 117.51 121.96 2c8u h ILE 123 Ca 0.11 -1.58 0.08 0.00 1.00 0.00 0.00 64.86 64.46 2c8u h ILE 123 Cb 0.72 2.27 -0.07 0.00 -0.74 0.00 0.00 36.82 39.00 2c8u h ILE 123 CO 0.06 0.45 -0.12 0.40 0.00 0.00 0.00 178.15 178.94 2c8u h ILE 124 N -0.23 0.58 -0.90 -0.67 2.04 -0.65 -0.28 117.51 117.40 2c8u h ILE 124 Ca -0.01 0.00 0.01 0.00 1.00 0.00 0.00 64.86 65.87 2c8u h ILE 124 Cb 0.83 0.58 -0.05 0.00 -0.74 0.00 0.00 36.82 37.44 2c8u h ILE 124 CO 0.04 0.00 0.59 0.50 0.00 0.00 0.00 178.15 179.29 2c8u h LYS 125 N -0.03 1.16 -0.44 2.37 3.64 -1.45 -2.37 116.57 119.46 2c8u h LYS 125 Ca 0.18 -0.07 -0.07 0.00 -1.27 0.00 0.00 60.65 59.42 2c8u h LYS 125 Cb 0.31 -0.26 -0.02 0.00 -0.41 0.00 0.00 32.23 31.85 2c8u h LYS 125 CO -0.41 0.77 -0.02 1.49 -2.27 0.00 0.00 179.45 179.01 2c8u h GLU 126 N 1.20 0.78 0.11 1.90 4.81 -0.09 -3.20 114.58 120.09 2c8u h GLU 126 Ca 0.33 -0.26 -0.27 0.00 -0.13 0.00 0.00 59.36 59.03 2c8u h GLU 126 Cb -0.11 -0.07 -0.00 0.00 0.63 0.00 0.00 28.75 29.20 2c8u h GLU 126 CO -0.08 0.86 -1.27 -0.84 -0.73 0.00 0.00 179.01 176.95 2c8u h ILE 127 N 0.62 1.45 0.00 2.32 3.07 -1.03 -2.22 117.51 121.72 2c8u h ILE 127 Ca 0.12 -3.06 -0.02 0.00 1.55 0.00 0.00 64.86 63.46 2c8u h ILE 127 Cb 0.52 2.89 -0.00 0.00 -0.27 0.00 0.00 36.82 39.95 2c8u h ILE 127 CO 0.03 0.88 -0.08 -0.07 -1.05 0.00 0.00 178.15 177.86 2c8u h LEU 128 N 0.06 0.00 0.00 0.16 3.38 -1.52 -1.26 115.31 116.13 2c8u h LEU 128 Ca -0.14 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.83 2c8u h LEU 128 Cb 1.95 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.70 2c8u h LEU 128 CO 0.18 0.08 -1.62 0.59 0.09 0.00 0.00 178.44 177.76 2c8u n ASN 129 N -3.28 0.33 0.00 -0.43 3.02 -1.21 -4.40 115.26 109.30 2c8u n ASN 129 Ca -0.01 -0.23 0.00 0.00 -0.03 0.00 0.00 54.58 54.32 2c8u n ASN 129 Cb 0.29 1.57 0.00 0.00 -0.61 0.00 0.00 39.78 41.02 2c8u n ASN 129 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2c8u n GLY 130 N 1.32 0.39 0.17 7.41 0.00 -0.57 -4.92 105.19 108.99 2c8u n GLY 130 Ca -0.01 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.09 2c8u n GLY 130 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2c8u h LYS 131 N 0.00 0.00 0.12 1.61 1.79 -1.74 -3.36 116.57 115.00 2c8u h LYS 131 Ca 0.00 0.00 0.01 0.00 -2.18 0.00 0.00 60.65 58.48 2c8u h LYS 131 Cb 0.00 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 30.63 2c8u h LYS 131 CO 0.00 0.14 -0.17 0.28 -1.08 0.00 0.00 179.45 178.61 2c8u h VAL 132 N 0.00 0.60 -0.08 0.50 2.07 -1.60 0.76 116.25 118.50 2c8u h VAL 132 Ca -0.02 0.00 -0.08 0.00 0.82 0.00 0.00 66.70 67.43 2c8u h VAL 132 Cb 1.14 0.60 -0.01 0.00 -1.52 0.00 0.00 31.29 31.50 2c8u h VAL 132 CO 0.02 0.00 -0.31 1.55 0.02 0.00 0.00 177.57 178.85 2c8u h PRO 133 N -0.35 0.16 -0.06 1.57 0.13 -1.77 -0.90 132.00 130.78 2c8u h PRO 133 Ca 0.02 -0.06 0.00 0.00 -0.87 0.00 0.00 66.00 65.09 2c8u h PRO 133 Cb 0.36 -0.01 -0.00 0.00 0.13 0.00 0.00 31.00 31.47 2c8u h PRO 133 CO -0.08 0.46 0.04 0.28 -0.23 0.00 0.00 178.00 178.46 2c8u h VAL 134 N 0.14 1.02 -0.60 1.56 2.07 -1.60 -1.09 116.25 117.76 2c8u h VAL 134 Ca 0.02 -0.03 -0.10 0.00 0.82 0.00 0.00 66.70 67.41 2c8u h VAL 134 Cb 0.62 0.94 -0.02 0.00 -1.52 0.00 0.00 31.29 31.31 2c8u h VAL 134 CO 0.05 0.02 -0.02 -0.07 0.02 0.00 0.00 177.57 177.56 2c8u h LEU 135 N 0.08 1.05 -0.63 2.57 3.38 -0.62 -2.15 115.31 118.99 2c8u h LEU 135 Ca 0.02 -0.31 -0.00 0.00 0.09 0.00 0.00 57.88 57.68 2c8u h LEU 135 Cb -0.01 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.43 2c8u h LEU 135 CO -0.00 1.11 0.38 -0.07 0.09 0.00 0.00 178.44 179.94 2c8u h LEU 136 N 0.97 0.76 -0.77 1.67 3.38 -1.06 -1.40 115.31 118.85 2c8u h LEU 136 Ca 0.17 -0.06 0.04 0.00 0.09 0.00 0.00 57.88 58.12 2c8u h LEU 136 Cb 0.58 -0.19 -0.05 0.00 0.09 0.00 0.00 40.66 41.09 2c8u h LEU 136 CO 0.03 0.59 0.48 0.44 0.09 0.00 0.00 178.44 180.08 2c8u h ASP 137 N 0.85 0.77 -0.23 -0.43 3.32 -1.01 -0.31 116.42 119.38 2c8u h ASP 137 Ca 0.23 0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.29 2c8u h ASP 137 Cb -0.02 -0.16 -0.01 0.00 0.22 0.00 0.00 39.33 39.36 2c8u h ASP 137 CO -0.04 0.51 0.15 0.40 -1.72 0.00 0.00 179.24 178.54 2c8u h ILE 138 N 0.91 1.06 -0.79 0.35 2.04 -1.00 -1.65 117.51 118.43 2c8u h ILE 138 Ca 0.32 -0.11 0.01 0.00 1.00 0.00 0.00 64.86 66.08 2c8u h ILE 138 Cb 0.08 0.72 -0.04 0.00 -0.74 0.00 0.00 36.82 36.85 2c8u h ILE 138 CO -0.14 0.06 0.52 0.40 0.00 0.00 0.00 178.15 178.99 2c8u h ILE 139 N 0.31 1.20 -0.26 -0.67 2.04 -1.03 0.32 117.51 119.42 2c8u h ILE 139 Ca 0.08 -0.37 0.04 0.00 1.00 0.00 0.00 64.86 65.62 2c8u h ILE 139 Cb -0.03 0.04 -0.04 0.00 -0.74 0.00 0.00 36.82 36.05 2c8u h ILE 139 CO -0.02 0.20 0.03 0.00 0.00 0.00 0.00 178.15 178.35 2c8u h GLU 141 N 0.12 0.82 -0.60 0.00 4.39 -0.91 -1.71 114.58 116.68 2c8u h GLU 141 Ca 0.12 -0.26 0.00 0.00 0.34 0.00 0.00 59.36 59.57 2c8u h GLU 141 Cb 0.14 -0.08 -0.03 0.00 -0.10 0.00 0.00 28.75 28.69 2c8u h GLU 141 CO -0.18 0.86 0.39 0.77 -1.16 0.00 0.00 179.01 179.69 2c8u h SER 142 N 0.75 0.69 -0.76 1.42 0.02 -0.43 -2.13 113.55 113.10 2c8u h SER 142 Ca 0.13 -0.02 -0.03 0.00 -0.84 0.00 0.00 61.79 61.03 2c8u h SER 142 Cb 0.55 -0.17 -0.03 0.00 0.14 0.00 0.00 62.40 62.88 2c8u h SER 142 CO 0.03 0.51 0.36 -0.07 -1.14 0.00 0.00 176.83 176.51 2c8u h LEU 143 N 0.81 1.01 -0.99 5.07 3.38 -0.73 -2.61 115.31 121.23 2c8u h LEU 143 Ca 0.22 -0.14 0.06 0.00 0.09 0.00 0.00 57.88 58.11 2c8u h LEU 143 Cb -0.08 -0.26 -0.07 0.00 0.09 0.00 0.00 40.66 40.34 2c8u h LEU 143 CO -0.05 0.87 0.64 0.11 0.09 0.00 0.00 178.44 180.10 2c8u h LYS 144 N 1.08 1.15 0.00 1.13 1.57 -1.08 -2.21 116.57 118.20 2c8u h LYS 144 Ca 0.26 -0.07 0.00 0.00 -1.87 0.00 0.00 60.65 58.97 2c8u h LYS 144 Cb 0.14 -0.26 0.00 0.00 0.08 0.00 0.00 32.23 32.19 2c8u h LYS 144 CO -0.03 0.76 0.00 0.00 -0.57 0.00 0.00 179.45 179.61 2c8u n ALA 145 N -2.36 2.48 -1.77 3.86 0.00 -0.82 -4.83 120.51 117.07 2c8u n ALA 145 Ca 0.15 -0.16 -0.39 0.00 0.00 0.00 0.00 53.44 53.04 2c8u n ALA 145 Cb 0.17 -1.45 -0.01 0.00 0.00 0.00 0.00 19.45 18.16 2c8u n ALA 145 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2c8u s SER 146 N -2.19 6.28 0.00 0.00 0.15 -0.83 -4.91 113.70 112.19 2c8u s SER 146 Ca 0.37 2.50 0.31 0.00 0.70 0.00 0.00 55.95 59.83 2c8u s SER 146 Cb 0.19 -2.62 1.69 0.00 -1.71 0.00 0.00 66.02 63.56 2c8u s SER 146 CO 0.35 -0.86 2.13 0.35 1.20 0.00 0.00 173.24 176.42 2c8u n THR 147 N -0.08 0.00 -3.39 6.45 -2.24 -1.26 -4.89 114.28 108.87 2c8u n THR 147 Ca 0.05 -0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.83 2c8u n THR 147 Cb 0.45 -0.49 0.00 0.00 -2.10 0.00 0.00 70.33 68.20 2c8u n THR 147 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2c8u n GLY 148 N 1.16 5.22 0.02 3.38 0.00 -1.23 -4.83 105.19 108.89 2c8u n GLY 148 Ca 0.19 -1.68 0.12 0.00 0.00 0.00 0.00 46.02 44.65 2c8u n GLY 148 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 2c8u n LYS 149 N 0.00 0.06 -3.43 1.61 2.85 -1.17 -4.81 118.16 113.27 2c8u n LYS 149 Ca 0.00 0.02 -0.23 0.00 -1.05 0.00 0.00 58.31 57.06 2c8u n LYS 149 Cb 0.00 -1.55 0.02 0.00 -0.65 0.00 0.00 35.03 32.85 2c8u n LYS 149 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 177.40 178.63 2c8u n LEU 150 N -1.64 0.00 -0.31 -5.58 4.77 -0.78 -4.80 117.00 108.66 2c8u n LEU 150 Ca 0.05 -2.58 0.04 0.00 -0.03 0.00 0.00 56.01 53.50 2c8u n LEU 150 Cb 0.36 -0.14 0.19 0.00 -2.33 0.00 0.00 43.42 41.49 2c8u n LEU 150 CO 0.33 -0.61 1.16 0.00 -1.33 0.00 0.00 177.39 176.94 2c8u h ALA 151 N 0.52 1.26 -3.27 -1.18 0.00 -1.90 -3.36 119.26 111.33 2c8u h ALA 151 Ca -0.30 0.03 -0.50 0.00 0.00 0.00 0.00 54.91 54.15 2c8u h ALA 151 Cb 1.18 -0.14 -0.39 0.00 0.00 0.00 0.00 17.79 18.45 2c8u h ALA 151 CO 0.47 0.11 -0.77 0.08 0.00 0.00 0.00 179.25 179.13 2c8u s VAL 152 N -6.01 0.60 0.00 0.00 1.01 -1.26 -4.57 120.40 110.17 2c8u s VAL 152 Ca -0.12 -0.31 0.00 0.00 0.00 0.00 0.00 61.98 61.55 2c8u s VAL 152 Cb 0.20 -0.90 0.00 0.00 0.00 0.00 0.00 36.38 35.69 2c8u s VAL 152 CO 0.79 0.05 0.00 0.61 0.00 0.00 0.00 175.10 176.55 2c8u n GLY 153 N 5.05 0.54 0.13 4.51 0.00 -1.26 -4.20 105.19 109.95 2c8u n GLY 153 Ca -0.09 -0.83 0.07 0.00 0.00 0.00 0.00 46.02 45.17 2c8u n GLY 153 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2c8u n ASP 154 N -2.15 0.98 -4.66 1.61 2.03 -1.26 -1.87 116.55 111.22 2c8u n ASP 154 Ca 0.00 -0.99 -0.25 0.00 0.52 0.00 0.00 54.79 54.07 2c8u n ASP 154 Cb 0.00 0.79 -0.07 0.00 -0.72 0.00 0.00 41.12 41.12 2c8u n ASP 154 CO 0.00 0.00 0.00 -0.54 -1.92 0.00 0.00 177.20 174.74 2c8u s LYS 155 N -2.06 2.37 0.16 -0.67 1.02 -1.26 -4.66 119.74 114.64 2c8u s LYS 155 Ca 0.08 -1.23 -0.31 0.00 0.02 0.00 0.00 55.97 54.53 2c8u s LYS 155 Cb 0.11 -2.28 -0.09 0.00 -0.52 0.00 0.00 37.83 35.04 2c8u s LYS 155 CO 0.48 0.42 1.46 0.08 -0.92 0.00 0.00 175.35 176.87 2c8u s VAL 156 N -1.97 2.93 0.31 3.17 1.01 -1.26 -4.77 120.40 119.81 2c8u s VAL 156 Ca 0.29 0.69 0.04 0.00 0.00 0.00 0.00 61.98 62.99 2c8u s VAL 156 Cb -0.08 -3.44 -0.06 0.00 0.00 0.00 0.00 36.38 32.80 2c8u s VAL 156 CO 0.19 0.06 0.04 0.42 0.00 0.00 0.00 175.10 175.82 2c8u s THR 157 N 0.90 1.17 0.49 3.92 -4.23 -1.26 -4.49 115.64 112.14 2c8u s THR 157 Ca 0.66 -2.01 0.17 0.00 -1.18 0.00 0.00 61.69 59.32 2c8u s THR 157 Cb -0.40 -2.71 0.31 0.00 1.34 0.00 0.00 72.50 71.04 2c8u s THR 157 CO 0.33 -0.06 2.07 0.25 -0.54 0.00 0.00 174.62 176.67 2c8u h LEU 158 N 2.18 0.12 -0.93 4.79 5.85 -1.03 -1.17 115.31 125.13 2c8u h LEU 158 Ca -0.40 -0.00 0.05 0.00 0.84 0.00 0.00 57.88 58.37 2c8u h LEU 158 Cb 1.24 -0.03 -0.06 0.00 0.37 0.00 0.00 40.66 42.19 2c8u h LEU 158 CO 0.68 0.08 0.59 0.00 -0.34 0.00 0.00 178.44 179.46 2c8u h ALA 159 N 1.85 1.25 -0.65 1.25 0.00 -1.82 -1.25 119.26 119.89 2c8u h ALA 159 Ca 0.13 -0.03 0.05 0.00 0.00 0.00 0.00 54.91 55.06 2c8u h ALA 159 Cb 0.34 -0.29 -0.05 0.00 0.00 0.00 0.00 17.79 17.79 2c8u h ALA 159 CO -0.02 0.41 0.37 -0.44 0.00 0.00 0.00 179.25 179.57 2c8u h ASP 160 N 1.11 0.58 0.04 0.00 3.32 -1.61 -1.69 116.42 118.17 2c8u h ASP 160 Ca 0.39 0.02 -0.26 0.00 0.02 0.00 0.00 57.03 57.20 2c8u h ASP 160 Cb 0.09 -0.10 0.02 0.00 0.22 0.00 0.00 39.33 39.57 2c8u h ASP 160 CO -0.15 0.38 -1.03 -0.07 -1.72 0.00 0.00 179.24 176.66 2c8u h LEU 161 N 0.71 0.83 -0.94 1.55 3.38 -1.46 -2.53 115.31 116.86 2c8u h LEU 161 Ca 0.28 -0.77 0.01 0.00 0.09 0.00 0.00 57.88 57.49 2c8u h LEU 161 Cb 0.13 -0.26 -0.05 0.00 0.09 0.00 0.00 40.66 40.57 2c8u h LEU 161 CO -0.15 1.51 0.62 0.58 0.09 0.00 0.00 178.44 181.09 2c8u h VAL 162 N 0.26 1.23 -0.11 1.22 2.07 -1.24 -2.38 116.25 117.29 2c8u h VAL 162 Ca -0.14 -0.43 -0.01 0.00 0.82 0.00 0.00 66.70 66.94 2c8u h VAL 162 Cb 1.70 -0.14 -0.01 0.00 -1.52 0.00 0.00 31.29 31.32 2c8u h VAL 162 CO 0.20 0.23 0.05 0.25 0.02 0.00 0.00 177.57 178.32 2c8u h LEU 163 N 1.26 0.16 -0.84 2.57 5.85 -1.18 -2.21 115.31 120.91 2c8u h LEU 163 Ca 0.35 -0.17 -0.05 0.00 0.84 0.00 0.00 57.88 58.86 2c8u h LEU 163 Cb -0.12 -0.04 -0.03 0.00 0.37 0.00 0.00 40.66 40.84 2c8u h LEU 163 CO -0.08 0.28 0.27 0.16 -0.34 0.00 0.00 178.44 178.73 2c8u h ILE 164 N 0.03 1.26 -0.27 4.05 3.07 -1.28 -0.66 117.51 123.70 2c8u h ILE 164 Ca 0.04 -0.84 0.03 0.00 1.55 0.00 0.00 64.86 65.64 2c8u h ILE 164 Cb 0.17 0.39 -0.03 0.00 -0.27 0.00 0.00 36.82 37.08 2c8u h ILE 164 CO -0.00 0.34 0.09 0.00 -1.05 0.00 0.00 178.15 177.52 2c8u h ALA 165 N 1.20 0.30 -0.46 0.16 0.00 -1.36 -1.79 119.26 117.31 2c8u h ALA 165 Ca 0.25 0.03 -0.14 0.00 0.00 0.00 0.00 54.91 55.05 2c8u h ALA 165 Cb 0.24 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 2c8u h ALA 165 CO -0.02 -0.32 -0.26 0.28 0.00 0.00 0.00 179.25 178.93 2c8u h VAL 166 N 0.20 1.27 -0.77 0.00 2.07 -1.09 -2.84 116.25 115.10 2c8u h VAL 166 Ca 0.12 -1.43 -0.02 0.00 0.82 0.00 0.00 66.70 66.19 2c8u h VAL 166 Cb 0.10 1.20 -0.04 0.00 -1.52 0.00 0.00 31.29 31.03 2c8u h VAL 166 CO -0.13 0.49 0.40 0.40 0.02 0.00 0.00 177.57 178.75 2c8u h ILE 167 N 0.83 1.24 -0.42 4.57 1.08 -0.92 -1.60 117.51 122.28 2c8u h ILE 167 Ca 0.10 -0.62 0.07 0.00 -0.39 0.00 0.00 64.86 64.02 2c8u h ILE 167 Cb 0.84 0.24 -0.02 0.00 -3.07 0.00 0.00 36.82 34.81 2c8u h ILE 167 CO 0.07 0.27 0.28 0.44 -0.69 0.00 0.00 178.15 178.53 2c8u h ASP 168 N 1.07 0.23 -0.36 1.72 3.45 -1.28 -1.01 116.42 120.24 2c8u h ASP 168 Ca 0.27 0.00 -0.08 0.00 0.43 0.00 0.00 57.03 57.65 2c8u h ASP 168 Cb 0.07 -0.05 -0.01 0.00 -0.56 0.00 0.00 39.33 38.78 2c8u h ASP 168 CO -0.04 0.15 -0.10 0.45 -1.57 0.00 0.00 179.24 178.13 2c8u h HIS 169 N 0.26 0.78 0.09 4.55 3.86 -1.06 -0.14 115.15 123.48 2c8u h HIS 169 Ca 0.19 -0.17 0.00 0.00 -1.16 0.00 0.00 60.37 59.23 2c8u h HIS 169 Cb 0.41 -0.19 -0.01 0.00 1.06 0.00 0.00 27.41 28.68 2c8u h HIS 169 CO -0.00 0.85 -0.09 0.28 0.86 0.00 0.00 177.93 179.83 2c8u h VAL 170 N 0.49 0.79 -0.25 2.45 2.07 -0.71 -2.14 116.25 118.95 2c8u h VAL 170 Ca 0.09 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.58 2c8u h VAL 170 Cb 0.61 0.79 -0.01 0.00 -1.52 0.00 0.00 31.29 31.15 2c8u h VAL 170 CO 0.04 0.00 0.04 0.71 0.02 0.00 0.00 177.57 178.37 2c8u h THR 171 N -0.20 1.14 -1.04 2.57 1.35 -1.24 0.19 112.91 115.68 2c8u h THR 171 Ca 0.01 -0.51 0.27 0.00 -0.55 0.00 0.00 66.41 65.63 2c8u h THR 171 Cb 0.20 0.91 -0.09 0.00 -1.73 0.00 0.00 68.15 67.44 2c8u h THR 171 CO -0.03 0.18 0.68 0.44 -0.25 0.00 0.00 175.52 176.54 2c8u h ASP 172 N 0.36 0.39 0.19 5.36 3.45 -0.36 -0.75 116.42 125.06 2c8u h ASP 172 Ca 0.09 0.07 -0.31 0.00 0.43 0.00 0.00 57.03 57.30 2c8u h ASP 172 Cb 0.19 0.01 0.02 0.00 -0.56 0.00 0.00 39.33 38.98 2c8u h ASP 172 CO 0.00 0.08 -1.48 -0.07 -1.57 0.00 0.00 179.24 176.21 2c8u h LEU 173 N 0.35 0.64 -6.55 1.55 3.38 -0.25 -3.44 115.31 110.99 2c8u h LEU 173 Ca 0.58 -0.92 -0.32 0.00 0.09 0.00 0.00 57.88 57.31 2c8u h LEU 173 Cb 1.56 -0.21 -0.33 0.00 0.09 0.00 0.00 40.66 41.77 2c8u h LEU 173 CO -0.25 1.68 -0.62 -0.62 0.09 0.00 0.00 178.44 178.71 2c8u s ASP 174 N -7.31 1.54 0.49 -0.43 2.15 -0.73 -5.03 116.67 107.34 2c8u s ASP 174 Ca -0.14 -0.60 0.30 0.00 0.43 0.00 0.00 52.55 52.54 2c8u s ASP 174 Cb 0.04 0.52 1.65 0.00 -0.30 0.00 0.00 42.92 44.83 2c8u s ASP 174 CO 0.87 -0.37 1.92 0.07 -0.17 0.00 0.00 175.17 177.48 2c8u h LYS 175 N 8.27 0.00 -0.02 4.34 2.10 -1.41 -1.71 116.57 128.13 2c8u h LYS 175 Ca -0.14 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.51 2c8u h LYS 175 Cb 1.09 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.42 2c8u h LYS 175 CO 0.32 0.00 -0.13 0.39 -2.00 0.00 0.00 179.45 178.04 2c8u n GLU 176 N -2.61 1.63 -0.32 0.07 -0.58 -1.26 -4.72 120.64 112.84 2c8u n GLU 176 Ca -0.02 -1.39 0.12 0.00 -0.42 0.00 0.00 57.16 55.45 2c8u n GLU 176 Cb 0.11 -1.36 0.34 0.00 -0.57 0.00 0.00 31.44 29.96 2c8u n GLU 176 CO 0.00 0.00 0.00 0.35 -0.48 0.00 0.00 177.13 177.00 2c8u h PHE 177 N 3.18 0.96 -0.24 -0.32 3.57 -1.67 -1.78 116.94 120.64 2c8u h PHE 177 Ca 0.00 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.53 2c8u h PHE 177 Cb 0.74 -0.30 0.00 0.00 2.79 0.00 0.00 35.95 39.18 2c8u h PHE 177 CO 0.00 0.30 0.00 1.28 -2.23 0.00 0.00 178.31 177.66 2c8u n LEU 178 N -4.64 3.13 -4.69 0.59 4.32 -1.26 -4.90 117.00 109.55 2c8u n LEU 178 Ca 0.20 -1.32 -0.42 0.00 -0.02 0.00 0.00 56.01 54.45 2c8u n LEU 178 Cb 0.50 -0.15 -0.03 0.00 -1.62 0.00 0.00 43.42 42.12 2c8u n LEU 178 CO 0.26 0.63 1.38 -0.89 -1.22 0.00 0.00 177.39 177.56 2c8u s THR 179 N -1.54 2.85 -1.65 -5.08 2.01 -0.67 -1.92 115.64 109.63 2c8u s THR 179 Ca 0.32 0.32 -0.01 0.00 0.31 0.00 0.00 61.69 62.63 2c8u s THR 179 Cb 0.20 -3.21 0.00 0.00 0.01 0.00 0.00 72.50 69.50 2c8u s THR 179 CO 0.28 -0.00 0.09 0.61 -0.69 0.00 0.00 174.62 174.91 2c8u n GLY 180 N 4.08 -0.45 3.33 4.40 0.00 -1.26 -4.99 105.19 110.31 2c8u n GLY 180 Ca 0.17 -0.04 -0.10 0.00 0.00 0.00 0.00 46.02 46.05 2c8u n GLY 180 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2c8u s LYS 181 N -5.08 1.22 -1.25 1.61 -0.14 -0.81 -4.98 119.74 110.31 2c8u s LYS 181 Ca 0.04 -1.34 -0.26 0.00 -1.36 0.00 0.00 55.97 53.05 2c8u s LYS 181 Cb -0.02 0.35 0.03 0.00 -1.68 0.00 0.00 37.83 36.51 2c8u s LYS 181 CO 0.05 -0.44 0.61 0.66 -0.76 0.00 0.00 175.35 175.48 2c8u n TYR 182 N -0.25 -1.50 -0.08 3.18 4.02 -1.26 -4.81 117.16 116.46 2c8u n TYR 182 Ca -0.03 0.25 0.09 0.00 -0.01 0.00 0.00 57.90 58.20 2c8u n TYR 182 Cb 0.64 -2.99 0.46 0.00 -0.02 0.00 0.00 39.34 37.43 2c8u n TYR 182 CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 176.86 174.85 2c8u h PRO 183 N -2.34 0.48 -0.09 -0.72 0.13 -1.93 -0.97 132.00 126.56 2c8u h PRO 183 Ca -0.69 -0.03 -0.03 0.00 -0.87 0.00 0.00 66.00 64.38 2c8u h PRO 183 Cb 1.39 -0.11 -0.01 0.00 0.13 0.00 0.00 31.00 32.41 2c8u h PRO 183 CO 0.54 0.32 -0.09 0.93 -0.23 0.00 0.00 178.00 179.47 2c8u h GLU 184 N 0.50 0.13 0.00 0.86 3.07 -1.93 0.22 114.58 117.43 2c8u h GLU 184 Ca 0.25 -0.02 -0.00 0.00 -0.50 0.00 0.00 59.36 59.09 2c8u h GLU 184 Cb 0.36 -0.02 0.00 0.00 -0.84 0.00 0.00 28.75 28.25 2c8u h GLU 184 CO -0.07 0.23 -0.00 0.82 -1.40 0.00 0.00 179.01 178.59 2c8u h ILE 185 N 0.13 1.39 -0.54 3.13 2.04 -1.53 0.24 117.51 122.37 2c8u h ILE 185 Ca 0.03 -1.16 0.08 0.00 1.00 0.00 0.00 64.86 64.81 2c8u h ILE 185 Cb 0.25 2.17 -0.07 0.00 -0.74 0.00 0.00 36.82 38.43 2c8u h ILE 185 CO 0.01 0.30 0.17 0.45 0.00 0.00 0.00 178.15 179.09 2c8u h HIS 186 N -0.50 0.30 -0.79 1.37 3.86 -1.38 -2.54 115.15 115.47 2c8u h HIS 186 Ca -0.00 0.03 -0.02 0.00 -1.16 0.00 0.00 60.37 59.22 2c8u h HIS 186 Cb 0.49 -0.05 -0.04 0.00 1.06 0.00 0.00 27.41 28.87 2c8u h HIS 186 CO 0.10 0.07 0.42 -0.22 0.86 0.00 0.00 177.93 179.16 2c8u h LYS 187 N 0.34 1.11 -0.34 2.45 1.63 -0.43 -1.29 116.57 120.04 2c8u h LYS 187 Ca 0.27 -0.13 0.01 0.00 -0.85 0.00 0.00 60.65 59.95 2c8u h LYS 187 Cb 0.32 -0.22 -0.02 0.00 -0.60 0.00 0.00 32.23 31.71 2c8u h LYS 187 CO -0.29 0.83 0.20 1.25 -3.45 0.00 0.00 179.45 177.99 2c8u h HIS 188 N 1.11 0.37 -0.36 1.91 2.76 -0.13 -0.31 115.15 120.50 2c8u h HIS 188 Ca 0.28 0.01 -0.08 0.00 -2.20 0.00 0.00 60.37 58.38 2c8u h HIS 188 Cb 0.05 -0.12 -0.01 0.00 1.55 0.00 0.00 27.41 28.88 2c8u h HIS 188 CO 0.01 0.22 -0.10 -0.09 -1.30 0.00 0.00 177.93 176.67 2c8u h ARG 189 N 0.40 0.70 -0.36 5.26 2.43 -1.10 0.28 114.38 121.98 2c8u h ARG 189 Ca 0.13 -0.27 0.04 0.00 -0.81 0.00 0.00 59.98 59.07 2c8u h ARG 189 Cb 0.01 -0.04 -0.07 0.00 -0.42 0.00 0.00 29.97 29.45 2c8u h ARG 189 CO -0.07 0.86 -0.47 0.93 -1.51 0.00 0.00 179.97 179.71 2c8u h GLU 190 N 0.49 -0.31 -0.82 0.20 5.08 -1.03 -2.54 114.58 115.64 2c8u h GLU 190 Ca 0.09 0.02 0.06 0.00 -1.00 0.00 0.00 59.36 58.53 2c8u h GLU 190 Cb 0.61 0.07 -0.06 0.00 0.50 0.00 0.00 28.75 29.87 2c8u h GLU 190 CO 0.04 -0.21 0.50 -0.91 -1.00 0.00 0.00 179.01 177.43 2c8u h ASN 191 N -0.33 0.77 -0.53 1.42 2.35 -0.78 -2.96 115.58 115.54 2c8u h ASN 191 Ca 0.06 0.02 -0.01 0.00 -0.55 0.00 0.00 56.30 55.82 2c8u h ASN 191 Cb 0.50 -0.14 -0.02 0.00 0.05 0.00 0.00 38.32 38.70 2c8u h ASN 191 CO -0.51 0.49 0.28 0.25 -1.65 0.00 0.00 177.43 176.29 2c8u h LEU 192 N 0.91 0.67 -0.85 1.61 5.85 -0.10 -1.30 115.31 122.09 2c8u h LEU 192 Ca 0.36 -0.10 -0.07 0.00 0.84 0.00 0.00 57.88 58.91 2c8u h LEU 192 Cb 0.18 -0.17 -0.02 0.00 0.37 0.00 0.00 40.66 41.01 2c8u h LEU 192 CO -0.18 0.58 0.07 -0.07 -0.34 0.00 0.00 178.44 178.50 2c8u h LEU 193 N 0.71 0.88 -0.30 2.25 3.38 -1.35 -1.92 115.31 118.97 2c8u h LEU 193 Ca 0.19 -0.20 0.04 0.00 0.09 0.00 0.00 57.88 57.99 2c8u h LEU 193 Cb 0.06 -0.23 -0.04 0.00 0.09 0.00 0.00 40.66 40.54 2c8u h LEU 193 CO -0.03 0.90 0.08 0.00 0.09 0.00 0.00 178.44 179.48 2c8u h ALA 194 N 1.20 0.32 0.00 1.53 0.00 -1.32 -2.87 119.26 118.12 2c8u h ALA 194 Ca 0.17 0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.13 2c8u h ALA 194 Cb 0.42 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.25 2c8u h ALA 194 CO 0.01 -0.33 0.00 0.77 0.00 0.00 0.00 179.25 179.71 2c8u h SER 195 N 0.20 0.00 -2.38 0.00 0.02 -0.78 -3.38 113.55 107.23 2c8u h SER 195 Ca 0.13 0.00 -0.53 0.00 -0.84 0.00 0.00 61.79 60.56 2c8u h SER 195 Cb 0.12 0.00 -0.37 0.00 0.14 0.00 0.00 62.40 62.30 2c8u h SER 195 CO -0.16 0.00 -0.83 -0.55 -1.14 0.00 0.00 176.83 174.15 2c8u s SER 196 N -5.49 2.23 0.36 3.07 0.15 -0.76 -4.96 113.70 108.29 2c8u s SER 196 Ca 0.02 -2.20 0.09 0.00 0.70 0.00 0.00 55.95 54.56 2c8u s SER 196 Cb 0.09 -0.15 0.82 0.00 -1.71 0.00 0.00 66.02 65.07 2c8u s SER 196 CO 0.53 -0.27 1.87 -0.65 1.20 0.00 0.00 173.24 175.91 2c8u h PRO 197 N 6.75 0.67 -0.14 5.44 0.11 -1.75 -1.71 132.00 141.37 2c8u h PRO 197 Ca 0.09 -0.04 0.04 0.00 0.11 0.00 0.00 66.00 66.20 2c8u h PRO 197 Cb 0.98 -0.15 -0.04 0.00 0.11 0.00 0.00 31.00 31.90 2c8u h PRO 197 CO 0.26 0.44 -0.12 0.00 -0.21 0.00 0.00 178.00 178.37 2c8u h ARG 198 N 0.69 -0.13 -0.49 1.05 3.08 -1.89 0.41 114.38 117.10 2c8u h ARG 198 Ca 0.45 0.01 -0.11 0.00 0.07 0.00 0.00 59.98 60.40 2c8u h ARG 198 Cb 0.73 0.03 -0.02 0.00 0.08 0.00 0.00 29.97 30.79 2c8u h ARG 198 CO -0.21 -0.09 -0.14 1.25 -1.07 0.00 0.00 179.97 179.72 2c8u h LEU 199 N -0.14 0.93 -0.53 3.04 5.85 -1.74 -1.77 115.31 120.95 2c8u h LEU 199 Ca 0.09 -0.31 0.08 0.00 0.84 0.00 0.00 57.88 58.59 2c8u h LEU 199 Cb 0.27 -0.25 -0.07 0.00 0.37 0.00 0.00 40.66 40.98 2c8u h LEU 199 CO -0.22 1.06 0.15 0.00 -0.34 0.00 0.00 178.44 179.09 2c8u h ALA 200 N 1.01 0.63 0.37 1.25 0.00 -0.98 0.12 119.26 121.67 2c8u h ALA 200 Ca 0.13 0.09 -0.01 0.00 0.00 0.00 0.00 54.91 55.11 2c8u h ALA 200 Cb 0.68 0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.56 2c8u h ALA 200 CO 0.05 -0.26 -0.27 -0.22 0.00 0.00 0.00 179.25 178.55 2c8u h LYS 201 N 0.30 -0.59 -0.91 0.00 1.63 -0.56 -3.04 116.57 113.40 2c8u h LYS 201 Ca 0.27 0.04 0.24 0.00 -0.85 0.00 0.00 60.65 60.35 2c8u h LYS 201 Cb 0.34 0.13 -0.16 0.00 -0.60 0.00 0.00 32.23 31.94 2c8u h LYS 201 CO -0.31 -0.39 0.07 -0.92 -3.45 0.00 0.00 179.45 174.45 2c8u h TYR 202 N -0.61 0.04 0.00 1.91 5.03 -1.21 0.60 116.97 122.74 2c8u h TYR 202 Ca -0.05 0.06 0.00 0.00 2.58 0.00 0.00 58.73 61.32 2c8u h TYR 202 Cb 0.50 0.13 0.00 0.00 1.55 0.00 0.00 36.73 38.91 2c8u h TYR 202 CO -0.06 -0.35 0.00 1.28 -1.32 0.00 0.00 178.16 177.71 2c8u n LEU 203 N -5.40 0.00 -0.01 2.82 4.77 0.02 -3.39 117.00 115.80 2c8u n LEU 203 Ca 0.21 0.46 -0.02 0.00 -0.03 0.00 0.00 56.01 56.63 2c8u n LEU 203 Cb 0.69 -0.46 -0.01 0.00 -2.33 0.00 0.00 43.42 41.32 2c8u n LEU 203 CO -0.01 -0.17 -0.12 -1.20 -1.33 0.00 0.00 177.39 174.55 2c8u n SER 204 N -1.46 0.38 0.00 -1.43 7.64 -0.41 -5.08 113.62 113.25 2c8u n SER 204 Ca 0.05 0.06 0.00 0.00 1.01 0.00 0.00 58.87 59.99 2c8u n SER 204 Cb 0.20 -0.49 0.00 0.00 -1.01 0.00 0.00 64.21 62.91 2c8u n SER 204 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50