#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 2.93 -0.25 -0.67 5.65 0.37 -4.90 115.29 118.41 2c8u s HIS 5 Ca 0.00 -0.70 -0.11 0.00 0.25 0.00 0.00 55.06 54.50 2c8u s HIS 5 Cb 0.00 -1.99 -0.05 0.00 -1.18 0.00 0.00 32.58 29.36 2c8u s HIS 5 CO 0.00 -0.32 0.19 0.42 -0.65 0.00 0.00 174.74 174.37 2c8u s ILE 6 N 0.87 5.33 -0.18 0.89 1.01 -1.26 -0.94 121.20 126.93 2c8u s ILE 6 Ca -0.02 0.22 0.00 0.00 0.00 0.00 0.00 60.65 60.86 2c8u s ILE 6 Cb -0.15 -3.53 0.01 0.00 0.01 0.00 0.00 42.46 38.81 2c8u s ILE 6 CO 0.01 0.31 -0.18 -0.75 0.00 0.00 0.00 174.94 174.34 2c8u s LYS 7 N 1.27 3.08 -0.39 2.79 2.20 -0.08 -0.24 119.74 128.36 2c8u s LYS 7 Ca 0.08 -0.80 -0.16 0.00 -0.36 0.00 0.00 55.97 54.73 2c8u s LYS 7 Cb -0.14 -2.62 0.01 0.00 -1.51 0.00 0.00 37.83 33.57 2c8u s LYS 7 CO 0.06 -0.15 0.40 0.08 -0.36 0.00 0.00 175.35 175.38 2c8u s VAL 8 N 1.18 5.13 -0.21 4.02 1.01 -0.13 -0.59 120.40 130.82 2c8u s VAL 8 Ca 0.02 -0.21 -0.07 0.00 0.00 0.00 0.00 61.98 61.72 2c8u s VAL 8 Cb -0.14 -3.95 -0.03 0.00 0.00 0.00 0.00 36.38 32.26 2c8u s VAL 8 CO -0.08 -0.29 0.05 -0.63 0.00 0.00 0.00 175.10 174.15 2c8u s ILE 9 N 2.06 4.41 0.20 2.22 1.01 0.96 -0.83 121.20 131.23 2c8u s ILE 9 Ca 0.12 -0.15 -0.23 0.00 0.00 0.00 0.00 60.65 60.38 2c8u s ILE 9 Cb -0.17 -3.02 0.05 0.00 0.01 0.00 0.00 42.46 39.33 2c8u s ILE 9 CO 0.13 0.41 0.79 -0.72 0.00 0.00 0.00 174.94 175.54 2c8u s TYR 10 N 0.96 -0.24 -0.16 3.97 1.13 -0.68 -1.14 117.35 121.20 2c8u s TYR 10 Ca 0.03 -0.12 -0.04 0.00 -1.41 0.00 0.00 57.07 55.54 2c8u s TYR 10 Cb -0.14 0.65 -0.08 0.00 -1.10 0.00 0.00 41.96 41.29 2c8u s TYR 10 CO 0.03 -1.01 -0.17 1.97 -2.51 0.00 0.00 175.55 173.85 2c8u n PHE 11 N -0.44 0.00 -3.05 -3.49 -1.74 -1.26 0.24 117.46 107.72 2c8u n PHE 11 Ca -0.07 0.00 -0.42 0.00 -0.56 0.00 0.00 57.45 56.40 2c8u n PHE 11 Cb 0.61 -0.58 -0.06 0.00 1.52 0.00 0.00 39.48 40.97 2c8u n PHE 11 CO 0.00 0.00 0.00 1.21 -0.56 0.00 0.00 176.76 177.41 2c8u s ASN 12 N -5.99 6.43 0.47 5.98 3.04 -1.26 -4.70 114.94 118.91 2c8u s ASN 12 Ca -0.21 0.06 0.13 0.00 0.04 0.00 0.00 52.86 52.88 2c8u s ASN 12 Cb 0.07 -2.35 1.07 0.00 -1.54 0.00 0.00 41.25 38.50 2c8u s ASN 12 CO 0.31 -0.71 2.06 1.23 -3.04 0.00 0.00 177.10 176.95 2c8u h GLY 13 N 9.64 0.11 -2.67 1.21 0.00 -2.00 -1.30 103.07 108.07 2c8u h GLY 13 Ca -0.26 -0.05 0.00 0.00 0.00 0.00 0.00 47.33 47.02 2c8u h GLY 13 CO 0.88 0.05 0.00 0.54 0.00 0.00 0.00 176.54 178.01 2c8u n ARG 14 N -4.43 3.24 0.00 4.80 5.12 -1.26 -4.78 116.66 119.35 2c8u n ARG 14 Ca -0.02 -2.42 0.00 0.00 -1.93 0.00 0.00 57.85 53.48 2c8u n ARG 14 Cb 0.16 -1.77 0.00 0.00 -1.16 0.00 0.00 32.46 29.69 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 1.08 1.48 0.09 -0.13 0.00 -0.49 -4.91 105.19 102.30 2c8u n GLY 15 Ca 0.22 -1.77 0.11 0.00 0.00 0.00 0.00 46.02 44.57 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 0.17 1.61 1.74 -1.26 -2.55 116.66 116.51 2c8u n ARG 16 Ca 0.00 0.33 0.13 0.00 -0.77 0.00 0.00 57.85 57.54 2c8u n ARG 16 Cb 0.00 -1.74 0.49 0.00 -1.02 0.00 0.00 32.46 30.19 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 2.40 1.00 -0.97 7.54 0.00 -1.93 -3.30 119.26 124.00 2c8u h ALA 17 Ca 0.00 0.00 0.07 0.00 0.00 0.00 0.00 54.91 54.98 2c8u h ALA 17 Cb 0.39 0.00 -0.07 0.00 0.00 0.00 0.00 17.79 18.11 2c8u h ALA 17 CO 0.00 0.00 0.62 0.93 0.00 0.00 0.00 179.25 180.80 2c8u h GLU 18 N 0.00 1.09 -0.05 0.00 5.08 -1.80 -0.08 114.58 118.82 2c8u h GLU 18 Ca 0.00 -0.07 -0.11 0.00 -1.00 0.00 0.00 59.36 58.19 2c8u h GLU 18 Cb 0.52 -0.25 -0.01 0.00 0.50 0.00 0.00 28.75 29.52 2c8u h GLU 18 CO 0.00 0.72 -0.45 0.66 -1.00 0.00 0.00 179.01 178.94 2c8u h SER 19 N 1.12 0.12 0.01 1.42 4.64 -1.81 0.32 113.55 119.37 2c8u h SER 19 Ca 0.42 -0.05 -0.00 0.00 -0.47 0.00 0.00 61.79 61.69 2c8u h SER 19 Cb 0.18 -0.03 0.00 0.00 -0.31 0.00 0.00 62.40 62.24 2c8u h SER 19 CO -0.18 0.57 -0.00 0.40 -0.87 0.00 0.00 176.83 176.74 2c8u h ILE 20 N 0.10 1.38 -0.29 0.95 2.04 -1.48 -2.41 117.51 117.80 2c8u h ILE 20 Ca 0.00 -1.17 0.00 0.00 1.00 0.00 0.00 64.86 64.69 2c8u h ILE 20 Cb 0.85 2.17 -0.01 0.00 -0.74 0.00 0.00 36.82 39.08 2c8u h ILE 20 CO 0.06 0.30 0.18 1.56 0.00 0.00 0.00 178.15 180.26 2c8u h GLN 21 N -0.52 0.38 -0.75 2.37 4.20 -0.88 -1.88 115.11 118.03 2c8u h GLN 21 Ca -0.00 -0.03 -0.04 0.00 0.06 0.00 0.00 58.65 58.64 2c8u h GLN 21 Cb 0.51 -0.08 -0.03 0.00 0.30 0.00 0.00 27.48 28.17 2c8u h GLN 21 CO 0.00 0.26 0.30 0.52 -0.67 0.00 0.00 178.83 179.25 2c8u h MET 22 N 0.38 1.12 -0.06 1.46 2.86 -1.02 0.55 114.93 120.22 2c8u h MET 22 Ca 0.10 -0.19 0.00 0.00 -2.06 0.00 0.00 59.70 57.55 2c8u h MET 22 Cb -0.03 -0.18 -0.00 0.00 0.06 0.00 0.00 31.60 31.44 2c8u h MET 22 CO -0.02 0.90 0.04 1.15 1.06 0.00 0.00 176.91 180.04 2c8u h THR 23 N 1.09 1.02 -0.44 2.22 2.02 -1.27 -0.49 112.91 117.06 2c8u h THR 23 Ca 0.25 -0.05 -0.02 0.00 0.77 0.00 0.00 66.41 67.36 2c8u h THR 23 Cb 0.20 0.95 -0.02 0.00 -1.74 0.00 0.00 68.15 67.54 2c8u h THR 23 CO -0.02 0.02 0.21 -0.07 0.37 0.00 0.00 175.52 176.02 2c8u h LEU 24 N 0.07 0.59 -0.03 2.58 3.38 -1.10 0.37 115.31 121.18 2c8u h LEU 24 Ca 0.02 -0.14 0.02 0.00 0.09 0.00 0.00 57.88 57.88 2c8u h LEU 24 Cb -0.00 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 40.57 2c8u h LEU 24 CO -0.00 0.56 -0.12 0.58 0.09 0.00 0.00 178.44 179.55 2c8u h VAL 25 N 0.57 0.69 -0.34 1.22 2.07 -0.78 -0.25 116.25 119.43 2c8u h VAL 25 Ca 0.15 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.64 2c8u h VAL 25 Cb 0.13 0.69 -0.02 0.00 -1.52 0.00 0.00 31.29 30.58 2c8u h VAL 25 CO -0.02 0.00 0.07 0.00 0.02 0.00 0.00 177.57 177.64 2c8u h ALA 26 N 0.80 1.48 0.00 1.67 0.00 -0.92 -1.44 119.26 120.85 2c8u h ALA 26 Ca 0.05 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.81 2c8u h ALA 26 Cb 0.26 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.90 2c8u h ALA 26 CO -0.14 0.38 0.00 0.00 0.00 0.00 0.00 179.25 179.49 2c8u n ALA 27 N -2.48 2.09 -2.67 0.00 0.00 0.10 -4.90 120.51 112.66 2c8u n ALA 27 Ca 0.02 -0.09 -0.11 0.00 0.00 0.00 0.00 53.44 53.26 2c8u n ALA 27 Cb 0.19 -1.38 0.02 0.00 0.00 0.00 0.00 19.45 18.28 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 0.86 0.07 3.52 0.00 0.00 -0.54 -5.03 105.19 104.07 2c8u n GLY 28 Ca 0.07 -0.31 -0.34 0.00 0.00 0.00 0.00 46.02 45.44 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 -2.88 4.04 0.34 1.61 1.01 -0.19 -5.03 120.40 119.30 2c8u s VAL 29 Ca 0.16 -0.30 -0.27 0.00 0.00 0.00 0.00 61.98 61.57 2c8u s VAL 29 Cb -0.07 -2.78 -0.09 0.00 0.00 0.00 0.00 36.38 33.43 2c8u s VAL 29 CO 0.20 0.49 1.09 0.20 0.00 0.00 0.00 175.10 177.08 2c8u s ASN 30 N 0.39 6.98 0.18 3.32 0.01 -1.26 -4.41 114.94 120.14 2c8u s ASN 30 Ca -0.03 2.20 -0.18 0.00 -0.71 0.00 0.00 52.86 54.15 2c8u s ASN 30 Cb -0.14 -2.61 0.03 0.00 0.41 0.00 0.00 41.25 38.94 2c8u s ASN 30 CO 0.02 -0.34 0.50 -0.72 -1.51 0.00 0.00 177.10 175.05 2c8u s TYR 31 N -1.37 -0.17 -0.14 2.20 1.13 -1.26 -4.63 117.35 113.12 2c8u s TYR 31 Ca 0.51 -0.16 -0.01 0.00 -1.41 0.00 0.00 57.07 56.00 2c8u s TYR 31 Cb -0.28 0.38 -0.02 0.00 -1.10 0.00 0.00 41.96 40.94 2c8u s TYR 31 CO 0.36 -0.87 -0.11 -2.00 -2.51 0.00 0.00 175.55 170.43 2c8u s GLU 32 N -3.85 3.46 -0.09 -3.49 2.12 0.67 -5.02 118.70 112.51 2c8u s GLU 32 Ca 0.07 -0.64 -0.26 0.00 0.36 0.00 0.00 54.97 54.51 2c8u s GLU 32 Cb -0.00 -2.71 -0.03 0.00 0.26 0.00 0.00 34.13 31.65 2c8u s GLU 32 CO -0.05 0.22 0.82 -0.51 -0.54 0.00 0.00 175.26 175.20 2c8u s ASP 33 N 0.35 7.07 -0.27 -1.70 1.01 -1.26 -0.95 116.67 120.91 2c8u s ASP 33 Ca -0.09 1.30 0.03 0.00 0.71 0.00 0.00 52.55 54.50 2c8u s ASP 33 Cb -0.15 -2.47 0.06 0.00 1.01 0.00 0.00 42.92 41.37 2c8u s ASP 33 CO 0.05 -0.25 -0.09 -0.70 0.21 0.00 0.00 175.17 174.39 2c8u s GLU 34 N 1.33 2.18 -0.12 8.23 2.12 -0.01 -4.93 118.70 127.50 2c8u s GLU 34 Ca 0.41 -1.40 -0.16 0.00 0.36 0.00 0.00 54.97 54.19 2c8u s GLU 34 Cb -0.18 -2.93 -0.05 0.00 0.26 0.00 0.00 34.13 31.23 2c8u s GLU 34 CO 0.18 -0.61 0.41 0.50 -0.54 0.00 0.00 175.26 175.20 2c8u s ARG 35 N 1.09 4.25 -0.20 4.30 3.52 -1.26 -1.68 118.95 128.97 2c8u s ARG 35 Ca -0.07 0.32 -0.08 0.00 -0.13 0.00 0.00 55.73 55.78 2c8u s ARG 35 Cb -0.20 -3.40 -0.04 0.00 -1.56 0.00 0.00 34.95 29.75 2c8u s ARG 35 CO -0.05 0.26 0.08 0.42 -0.81 0.00 0.00 175.30 175.20 2c8u s ILE 36 N 0.34 4.81 0.64 4.11 -1.09 0.14 -4.94 121.20 125.21 2c8u s ILE 36 Ca 0.22 -0.02 -0.13 0.00 -2.23 0.00 0.00 60.65 58.50 2c8u s ILE 36 Cb -0.15 -3.20 -0.02 0.00 -1.58 0.00 0.00 42.46 37.52 2c8u s ILE 36 CO 0.09 0.42 1.05 -0.94 -1.23 0.00 0.00 174.94 174.33 2c8u s SER 37 N 0.69 5.68 0.21 3.58 1.04 -1.26 -4.41 113.70 119.23 2c8u s SER 37 Ca 0.04 1.66 -0.10 0.00 0.48 0.00 0.00 55.95 58.04 2c8u s SER 37 Cb -0.13 -2.51 0.24 0.00 0.10 0.00 0.00 66.02 63.72 2c8u s SER 37 CO 0.02 -1.24 1.80 0.15 0.98 0.00 0.00 173.24 174.95 2c8u h PHE 38 N -0.18 0.62 -0.81 5.02 3.57 -1.98 -1.82 116.94 121.37 2c8u h PHE 38 Ca -0.45 0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.07 2c8u h PHE 38 Cb 1.21 -0.19 -0.04 0.00 2.79 0.00 0.00 35.95 39.72 2c8u h PHE 38 CO 0.61 0.29 0.50 1.96 -2.23 0.00 0.00 178.31 179.44 2c8u h GLN 39 N 0.63 1.08 -0.00 1.11 7.50 -2.05 -2.84 115.11 120.55 2c8u h GLN 39 Ca 0.29 -0.09 0.00 0.00 0.50 0.00 0.00 58.65 59.36 2c8u h GLN 39 Cb 0.21 -0.23 0.00 0.00 0.05 0.00 0.00 27.48 27.50 2c8u h GLN 39 CO -0.19 0.75 -0.53 -0.25 -1.50 0.00 0.00 178.83 177.10 2c8u n ASP 40 N -4.39 0.54 -0.10 1.46 10.43 -0.99 -4.35 116.55 119.15 2c8u n ASP 40 Ca 0.09 -0.31 -0.06 0.00 2.57 0.00 0.00 54.79 57.07 2c8u n ASP 40 Cb 0.05 0.30 0.01 0.00 1.84 0.00 0.00 41.12 43.33 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 0.02 0.20 -0.82 1.24 -0.00 -1.08 -1.39 115.95 114.12 2c8u h TRP 41 Ca 0.00 0.02 0.15 0.00 -0.00 0.00 0.00 58.89 59.05 2c8u h TRP 41 Cb 0.50 -0.04 -0.06 0.00 -0.00 0.00 0.00 29.16 29.56 2c8u h TRP 41 CO 0.00 0.08 0.54 -1.35 -0.00 0.00 0.00 178.44 177.71 2c8u h PRO 42 N 0.26 0.53 0.00 2.65 0.11 -1.76 0.27 132.00 134.06 2c8u h PRO 42 Ca 0.16 -0.03 -0.11 0.00 0.11 0.00 0.00 66.00 66.13 2c8u h PRO 42 Cb 0.14 -0.12 -0.02 0.00 0.11 0.00 0.00 31.00 31.12 2c8u h PRO 42 CO -0.17 0.35 -0.53 1.57 -0.21 0.00 0.00 178.00 179.01 2c8u h LYS 43 N 0.55 0.00 0.05 1.05 2.10 -1.69 -3.32 116.57 115.31 2c8u h LYS 43 Ca 0.41 0.00 -0.29 0.00 -2.00 0.00 0.00 60.65 58.77 2c8u h LYS 43 Cb 0.79 0.00 -0.03 0.00 -0.90 0.00 0.00 32.23 32.09 2c8u h LYS 43 CO -0.16 0.53 -1.56 0.82 -2.00 0.00 0.00 179.45 177.08 2c8u h ILE 44 N 0.00 1.08 -0.71 0.07 1.08 -0.19 -3.40 117.51 115.44 2c8u h ILE 44 Ca -0.01 -2.82 0.15 0.00 -0.39 0.00 0.00 64.86 61.79 2c8u h ILE 44 Cb 1.32 2.61 -0.13 0.00 -3.07 0.00 0.00 36.82 37.55 2c8u h ILE 44 CO 0.07 0.72 -0.14 0.50 -0.69 0.00 0.00 178.15 178.61 2c8u h LYS 45 N 0.03 0.02 0.00 2.37 3.64 -1.09 -0.89 116.57 120.65 2c8u h LYS 45 Ca -0.24 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.14 2c8u h LYS 45 Cb 1.97 -0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.79 2c8u h LYS 45 CO 0.12 0.01 0.00 -1.00 -2.27 0.00 0.00 179.45 176.31 2c8u h PRO 46 N 0.02 0.00 -0.01 1.90 0.13 -1.78 -1.63 132.00 130.63 2c8u h PRO 46 Ca 0.35 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.48 2c8u h PRO 46 Cb 0.55 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.68 2c8u h PRO 46 CO -0.71 0.00 -0.03 0.25 -0.23 0.00 0.00 178.00 177.28 2c8u n THR 47 N -2.36 0.00 -3.83 1.56 -2.24 -0.34 -4.75 114.28 102.33 2c8u n THR 47 Ca 0.02 -0.09 -0.36 0.00 -2.27 0.00 0.00 64.05 61.35 2c8u n THR 47 Cb 0.23 -0.11 -0.13 0.00 -2.10 0.00 0.00 70.33 68.22 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 -2.13 3.64 0.22 2.28 -1.09 -0.61 -5.07 121.20 118.44 2c8u s ILE 48 Ca 0.40 -0.70 -0.32 0.00 -2.23 0.00 0.00 60.65 57.80 2c8u s ILE 48 Cb 0.21 -2.82 -0.12 0.00 -1.58 0.00 0.00 42.46 38.15 2c8u s ILE 48 CO 0.39 0.18 1.71 -2.65 -1.23 0.00 0.00 174.94 173.34 2c8u n PRO 49 N 4.81 2.78 0.00 2.79 -0.02 -1.26 -0.44 135.00 143.65 2c8u n PRO 49 Ca -0.16 1.00 0.00 0.00 -2.02 0.00 0.00 63.50 62.32 2c8u n PRO 49 Cb 0.48 -2.84 0.00 0.00 -0.02 0.00 0.00 33.50 31.13 2c8u n PRO 49 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2c8u n GLY 50 N 3.71 2.67 2.38 -1.23 0.00 -1.26 -4.46 105.19 107.00 2c8u n GLY 50 Ca 0.15 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 46.01 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 0.52 2.99 -0.02 0.00 0.41 -5.01 105.19 102.08 2c8u n GLY 51 Ca 0.00 -0.22 -0.20 0.00 0.00 0.00 0.00 46.02 45.60 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 -4.20 0.87 0.21 1.61 0.52 -1.26 -5.00 118.95 111.69 2c8u s ARG 52 Ca 0.00 -0.28 0.05 0.00 -0.52 0.00 0.00 55.73 54.98 2c8u s ARG 52 Cb 0.00 -0.82 -0.03 0.00 0.52 0.00 0.00 34.95 34.61 2c8u s ARG 52 CO 0.00 0.11 0.25 -0.51 0.02 0.00 0.00 175.30 175.17 2c8u s LEU 53 N 0.16 4.08 0.73 2.53 1.43 -1.26 -4.39 118.68 121.95 2c8u s LEU 53 Ca -0.02 -0.04 -0.11 0.00 -1.03 0.00 0.00 54.13 52.93 2c8u s LEU 53 Cb -0.08 -2.63 0.03 0.00 0.03 0.00 0.00 46.19 43.54 2c8u s LEU 53 CO 0.00 -0.01 1.07 -2.84 0.23 0.00 0.00 176.35 174.81 2c8u s PRO 54 N -3.61 2.67 0.04 1.29 0.02 -1.26 -5.01 135.00 129.13 2c8u s PRO 54 Ca 0.33 0.97 -0.10 0.00 0.02 0.00 0.00 61.00 62.23 2c8u s PRO 54 Cb -0.09 -1.96 0.01 0.00 0.02 0.00 0.00 34.50 32.47 2c8u s PRO 54 CO 0.27 -1.30 0.20 0.00 -0.33 0.00 0.00 177.00 175.84 2c8u s ALA 55 N -3.02 -0.39 -0.15 -1.55 0.00 -0.29 -4.28 121.76 112.09 2c8u s ALA 55 Ca 0.59 -0.26 0.02 0.00 0.00 0.00 0.00 51.96 52.31 2c8u s ALA 55 Cb -0.15 0.28 0.01 0.00 0.00 0.00 0.00 23.12 23.27 2c8u s ALA 55 CO 0.55 -0.36 -0.20 0.08 0.00 0.00 0.00 175.76 175.82 2c8u s VAL 56 N -2.55 1.98 -0.27 0.00 1.01 -0.02 -0.03 120.40 120.52 2c8u s VAL 56 Ca -0.05 -0.92 -0.08 0.00 0.00 0.00 0.00 61.98 60.93 2c8u s VAL 56 Cb -0.01 -1.76 -0.02 0.00 0.00 0.00 0.00 36.38 34.58 2c8u s VAL 56 CO -0.04 0.53 0.09 -0.75 0.00 0.00 0.00 175.10 174.94 2c8u s LYS 57 N 0.96 3.56 -0.23 2.72 2.20 0.25 -0.61 119.74 128.59 2c8u s LYS 57 Ca -0.04 -0.55 -0.04 0.00 -0.36 0.00 0.00 55.97 54.99 2c8u s LYS 57 Cb -0.15 -3.39 0.00 0.00 -1.51 0.00 0.00 37.83 32.78 2c8u s LYS 57 CO -0.05 -0.25 -0.04 0.42 -0.36 0.00 0.00 175.35 175.07 2c8u s ILE 58 N 1.61 3.32 -0.20 5.43 1.01 0.30 -0.91 121.20 131.76 2c8u s ILE 58 Ca 0.06 -0.62 -0.02 0.00 0.00 0.00 0.00 60.65 60.07 2c8u s ILE 58 Cb -0.16 -2.56 -0.00 0.00 0.01 0.00 0.00 42.46 39.75 2c8u s ILE 58 CO 0.04 0.35 -0.09 -0.89 0.00 0.00 0.00 174.94 174.36 2c8u s THR 59 N 1.45 3.04 1.03 2.92 2.01 -0.11 -0.88 115.64 125.10 2c8u s THR 59 Ca 0.04 -0.61 -0.17 0.00 0.31 0.00 0.00 61.69 61.27 2c8u s THR 59 Cb -0.15 -2.35 0.22 0.00 0.01 0.00 0.00 72.50 70.23 2c8u s THR 59 CO -0.03 0.46 1.25 1.51 -0.69 0.00 0.00 174.62 177.12 2c8u s ASP 60 N 1.32 2.48 0.00 3.53 1.47 -0.60 0.14 116.67 125.02 2c8u s ASP 60 Ca 0.04 0.41 0.13 0.00 1.18 0.00 0.00 52.55 54.31 2c8u s ASP 60 Cb -0.14 -0.54 0.77 0.00 -0.34 0.00 0.00 42.92 42.67 2c8u s ASP 60 CO -0.05 -3.14 1.32 0.59 0.68 0.00 0.00 175.17 174.57 2c8u n ASN 61 N -4.06 0.00 -0.85 2.11 4.13 -1.26 -2.04 115.26 113.29 2c8u n ASN 61 Ca 0.14 -1.11 0.07 0.00 1.68 0.00 0.00 54.58 55.36 2c8u n ASN 61 Cb 0.59 0.00 0.22 0.00 -1.54 0.00 0.00 39.78 39.06 2c8u n ASN 61 CO 0.00 0.00 0.00 1.41 0.28 0.00 0.00 177.26 178.95 2c8u n HIS 62 N -0.77 0.79 -1.08 3.10 8.25 -1.26 -4.97 115.22 119.28 2c8u n HIS 62 Ca 0.10 -0.69 -0.03 0.00 -0.26 0.00 0.00 57.72 56.84 2c8u n HIS 62 Cb 0.04 -0.19 -0.01 0.00 1.12 0.00 0.00 29.99 30.95 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 0.07 0.51 3.77 -1.41 0.00 -0.87 -5.01 105.19 102.25 2c8u n GLY 63 Ca 0.17 -0.15 -0.38 0.00 0.00 0.00 0.00 46.02 45.67 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 -1.74 3.81 -0.17 1.61 3.76 -1.26 -4.85 115.29 116.45 2c8u s HIS 64 Ca 0.00 1.82 -0.00 0.00 -0.15 0.00 0.00 55.06 56.73 2c8u s HIS 64 Cb 0.00 -2.94 -0.00 0.00 1.11 0.00 0.00 32.58 30.75 2c8u s HIS 64 CO 0.00 0.31 -0.14 0.08 -0.85 0.00 0.00 174.74 174.14 2c8u s VAL 65 N -1.44 2.71 -0.11 -0.90 1.01 -1.26 -1.55 120.40 118.85 2c8u s VAL 65 Ca 0.46 -0.74 -0.01 0.00 0.00 0.00 0.00 61.98 61.69 2c8u s VAL 65 Cb -0.21 -2.16 -0.02 0.00 0.00 0.00 0.00 36.38 33.98 2c8u s VAL 65 CO 0.27 0.50 -0.08 -0.54 0.00 0.00 0.00 175.10 175.25 2c8u s LYS 66 N 0.98 3.20 -0.08 2.72 1.02 -0.06 -4.99 119.74 122.53 2c8u s LYS 66 Ca -0.02 -0.59 -0.02 0.00 0.02 0.00 0.00 55.97 55.36 2c8u s LYS 66 Cb -0.15 -2.68 -0.03 0.00 -0.52 0.00 0.00 37.83 34.45 2c8u s LYS 66 CO -0.02 0.40 0.00 -1.58 -0.92 0.00 0.00 175.35 173.23 2c8u s TRP 67 N -0.10 3.16 -0.04 3.18 0.52 -1.26 -0.54 118.94 123.86 2c8u s TRP 67 Ca 0.00 0.19 0.05 0.00 0.02 0.00 0.00 56.10 56.36 2c8u s TRP 67 Cb -0.13 -1.78 -0.01 0.00 -1.15 0.00 0.00 33.47 30.40 2c8u s TRP 67 CO 0.03 0.47 -0.19 -1.64 0.02 0.00 0.00 176.95 175.64 2c8u s MET 68 N -0.92 1.88 0.27 4.98 -1.94 0.22 -4.99 119.30 118.80 2c8u s MET 68 Ca 0.14 -0.67 0.07 0.00 -1.71 0.00 0.00 55.69 53.52 2c8u s MET 68 Cb -0.11 -1.65 -0.06 0.00 2.01 0.00 0.00 34.83 35.02 2c8u s MET 68 CO 0.03 0.29 -0.08 0.14 -0.01 0.00 0.00 175.02 175.39 2c8u s VAL 69 N -0.06 1.72 -0.10 -6.03 -7.23 -1.26 -0.84 120.40 106.60 2c8u s VAL 69 Ca -0.02 -2.15 -0.03 0.00 -1.81 0.00 0.00 61.98 57.96 2c8u s VAL 69 Cb -0.11 -2.40 0.01 0.00 0.56 0.00 0.00 36.38 34.44 2c8u s VAL 69 CO 0.02 -0.34 0.06 -0.62 -0.31 0.00 0.00 175.10 173.91 2c8u n GLU 70 N -0.57 -1.68 -0.30 4.82 -0.58 -1.26 -4.37 120.64 116.70 2c8u n GLU 70 Ca -0.06 1.59 0.04 0.00 -0.42 0.00 0.00 57.16 58.31 2c8u n GLU 70 Cb 0.63 -2.71 0.18 0.00 -0.57 0.00 0.00 31.44 28.98 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 0.70 1.77 1.62 4.64 -1.90 -0.73 113.55 121.12 2c8u h SER 71 Ca -0.13 0.05 -0.02 0.00 -0.47 0.00 0.00 61.79 61.22 2c8u h SER 71 Cb 0.30 -0.08 -0.00 0.00 -0.31 0.00 0.00 62.40 62.31 2c8u h SER 71 CO 0.02 0.39 -0.10 -0.07 -0.87 0.00 0.00 176.83 176.20 2c8u h LEU 72 N 0.81 0.00 -0.08 5.97 3.38 -1.92 -0.70 115.31 122.77 2c8u h LEU 72 Ca 0.42 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.36 2c8u h LEU 72 Cb 0.41 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.16 2c8u h LEU 72 CO -0.26 0.10 -0.06 0.00 0.09 0.00 0.00 178.44 178.31 2c8u h ALA 73 N 1.90 0.11 -0.44 1.53 0.00 -1.49 -1.43 119.26 119.46 2c8u h ALA 73 Ca -0.00 -0.26 0.08 0.00 0.00 0.00 0.00 54.91 54.73 2c8u h ALA 73 Cb 1.01 -0.03 -0.08 0.00 0.00 0.00 0.00 17.79 18.69 2c8u h ALA 73 CO 0.01 -0.10 -0.04 0.82 0.00 0.00 0.00 179.25 179.94 2c8u h ILE 74 N -0.22 0.62 -0.75 0.00 2.04 -1.17 -1.27 117.51 116.76 2c8u h ILE 74 Ca 0.02 -0.02 -0.05 0.00 1.00 0.00 0.00 64.86 65.80 2c8u h ILE 74 Cb 0.53 0.55 -0.03 0.00 -0.74 0.00 0.00 36.82 37.14 2c8u h ILE 74 CO 0.02 0.01 0.26 0.00 0.00 0.00 0.00 178.15 178.44 2c8u h ALA 75 N 1.41 0.98 -0.64 1.87 0.00 -1.12 -1.20 119.26 120.55 2c8u h ALA 75 Ca 0.21 -0.21 -0.07 0.00 0.00 0.00 0.00 54.91 54.85 2c8u h ALA 75 Cb 0.32 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 17.79 2c8u h ALA 75 CO -0.40 0.64 0.14 0.00 0.00 0.00 0.00 179.25 179.64 2c8u h ARG 76 N 1.11 1.04 -0.28 0.00 3.08 -1.07 0.11 114.38 118.37 2c8u h ARG 76 Ca 0.25 -0.26 0.01 0.00 0.07 0.00 0.00 59.98 60.05 2c8u h ARG 76 Cb 0.27 -0.13 -0.02 0.00 0.08 0.00 0.00 29.97 30.17 2c8u h ARG 76 CO -0.01 0.95 0.15 -0.92 -1.07 0.00 0.00 179.97 179.07 2c8u h TYR 77 N 0.96 0.29 -0.19 3.04 5.03 -0.89 0.20 116.97 125.40 2c8u h TYR 77 Ca 0.20 0.01 -0.14 0.00 2.58 0.00 0.00 58.73 61.38 2c8u h TYR 77 Cb 0.38 -0.09 -0.01 0.00 1.55 0.00 0.00 36.73 38.56 2c8u h TYR 77 CO 0.03 0.17 -0.48 0.52 -1.32 0.00 0.00 178.16 177.08 2c8u h MET 78 N 0.32 0.50 -0.14 1.82 2.86 -1.07 -1.38 114.93 117.85 2c8u h MET 78 Ca 0.11 -0.28 -0.03 0.00 -2.06 0.00 0.00 59.70 57.44 2c8u h MET 78 Cb 0.01 0.02 -0.00 0.00 0.06 0.00 0.00 31.60 31.69 2c8u h MET 78 CO -0.06 0.87 -0.04 0.00 1.06 0.00 0.00 176.91 178.75 2c8u h ALA 79 N 1.08 0.19 -0.43 6.32 0.00 -0.56 -2.83 119.26 123.02 2c8u h ALA 79 Ca 0.02 -0.23 0.03 0.00 0.00 0.00 0.00 54.91 54.73 2c8u h ALA 79 Cb 0.99 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 18.70 2c8u h ALA 79 CO 0.09 -0.06 0.22 -0.22 0.00 0.00 0.00 179.25 179.28 2c8u h LYS 80 N -0.05 0.43 -0.68 0.00 1.63 -0.50 0.21 116.57 117.62 2c8u h LYS 80 Ca 0.03 -0.03 0.13 0.00 -0.85 0.00 0.00 60.65 59.94 2c8u h LYS 80 Cb 0.46 -0.10 -0.04 0.00 -0.60 0.00 0.00 32.23 31.96 2c8u h LYS 80 CO 0.01 0.28 0.46 -0.22 -3.45 0.00 0.00 179.45 176.54 2c8u h LYS 81 N 0.44 0.36 -0.47 1.90 3.64 -1.27 -3.02 116.57 118.16 2c8u h LYS 81 Ca 0.19 -0.02 -0.33 0.00 -1.27 0.00 0.00 60.65 59.21 2c8u h LYS 81 Cb 0.09 -0.08 -0.25 0.00 -0.41 0.00 0.00 32.23 31.58 2c8u h LYS 81 CO -0.13 0.24 -0.58 0.72 -2.27 0.00 0.00 179.45 177.42 2c8u n HIS 82 N -4.46 1.67 -3.94 1.91 8.25 -0.78 -4.98 115.22 112.89 2c8u n HIS 82 Ca 0.12 -1.95 -0.29 0.00 -0.26 0.00 0.00 57.72 55.34 2c8u n HIS 82 Cb 0.49 -0.36 0.01 0.00 1.12 0.00 0.00 29.99 31.24 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 -0.90 -2.04 -1.13 4.41 8.25 -0.87 -4.91 115.22 118.04 2c8u n HIS 83 Ca 0.35 0.85 0.09 0.00 -0.26 0.00 0.00 57.72 58.75 2c8u n HIS 83 Cb 0.87 -3.82 0.17 0.00 1.12 0.00 0.00 29.99 28.33 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 -4.52 1.61 -0.24 -0.41 2.81 0.69 -4.59 117.12 112.46 2c8u n MET 84 Ca -0.06 -2.73 0.09 0.00 -1.81 0.00 0.00 57.70 53.19 2c8u n MET 84 Cb 0.57 -1.58 0.17 0.00 -0.71 0.00 0.00 33.22 31.67 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 -1.24 1.67 0.00 0.03 2.81 -1.25 -0.39 117.12 118.75 2c8u n MET 85 Ca 0.18 -2.75 0.00 0.00 -1.81 0.00 0.00 57.70 53.32 2c8u n MET 85 Cb 0.70 -1.60 0.00 0.00 -0.71 0.00 0.00 33.22 31.62 2c8u n MET 85 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2c8u n GLY 86 N -1.21 0.88 0.00 3.03 0.00 -1.26 -3.98 105.19 102.66 2c8u n GLY 86 Ca 0.18 -1.64 0.09 0.00 0.00 0.00 0.00 46.02 44.65 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 1.06 -0.80 3.24 -0.02 0.00 -1.26 -4.75 105.19 102.65 2c8u n GLY 87 Ca 0.00 -0.51 -0.14 0.00 0.00 0.00 0.00 46.02 45.37 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 -2.93 0.98 0.36 2.61 -4.23 -1.26 -5.01 115.64 106.17 2c8u s THR 88 Ca 0.03 -2.02 0.07 0.00 -1.18 0.00 0.00 61.69 58.59 2c8u s THR 88 Cb 0.14 -1.91 0.30 0.00 1.34 0.00 0.00 72.50 72.37 2c8u s THR 88 CO 0.78 -0.69 1.94 -0.33 -0.54 0.00 0.00 174.62 175.79 2c8u h GLU 89 N 2.77 0.70 -0.77 3.99 5.08 -1.96 0.15 114.58 124.54 2c8u h GLU 89 Ca -0.36 -0.04 -0.05 0.00 -1.00 0.00 0.00 59.36 57.90 2c8u h GLU 89 Cb 1.19 -0.16 -0.03 0.00 0.50 0.00 0.00 28.75 30.25 2c8u h GLU 89 CO 0.64 0.47 0.28 1.05 -1.00 0.00 0.00 179.01 180.44 2c8u h GLU 90 N 0.72 1.18 -0.32 2.33 4.11 -1.99 -0.34 114.58 120.26 2c8u h GLU 90 Ca 0.33 -0.23 -0.17 0.00 0.07 0.00 0.00 59.36 59.36 2c8u h GLU 90 Cb 0.36 -0.18 -0.00 0.00 0.50 0.00 0.00 28.75 29.42 2c8u h GLU 90 CO -0.12 0.97 -0.47 0.93 0.07 0.00 0.00 179.01 180.39 2c8u h GLU 91 N 1.14 0.87 -0.29 1.06 5.08 -1.66 -2.61 114.58 118.18 2c8u h GLU 91 Ca 0.25 -0.51 0.06 0.00 -1.00 0.00 0.00 59.36 58.17 2c8u h GLU 91 Cb 0.26 0.04 -0.06 0.00 0.50 0.00 0.00 28.75 29.48 2c8u h GLU 91 CO -0.02 1.15 -0.12 -0.92 -1.00 0.00 0.00 179.01 178.10 2c8u h TYR 92 N 0.69 -0.28 -0.42 4.33 3.20 -0.59 0.53 116.97 124.43 2c8u h TYR 92 Ca 0.04 0.03 0.08 0.00 3.14 0.00 0.00 58.73 62.01 2c8u h TYR 92 Cb 1.07 0.17 -0.07 0.00 1.54 0.00 0.00 36.73 39.44 2c8u h TYR 92 CO 0.07 -0.18 0.01 -0.92 -1.64 0.00 0.00 178.16 175.49 2c8u h TYR 93 N -0.07 -0.01 -0.00 -3.82 5.03 -0.96 -1.79 116.97 115.34 2c8u h TYR 93 Ca 0.15 0.03 -0.08 0.00 2.58 0.00 0.00 58.73 61.41 2c8u h TYR 93 Cb 0.29 0.07 -0.01 0.00 1.55 0.00 0.00 36.73 38.63 2c8u h TYR 93 CO -0.32 -0.08 -0.36 -0.91 -1.32 0.00 0.00 178.16 175.17 2c8u h ASN 94 N 0.11 0.00 0.06 -2.11 2.35 -1.03 0.92 115.58 115.89 2c8u h ASN 94 Ca 0.21 -0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 55.95 2c8u h ASN 94 Cb 0.30 -0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.67 2c8u h ASN 94 CO -0.34 0.37 -0.03 0.58 -1.65 0.00 0.00 177.43 176.36 2c8u h VAL 95 N 0.00 1.09 -0.44 2.81 2.07 -0.20 -2.47 116.25 119.11 2c8u h VAL 95 Ca -0.00 -0.51 -0.03 0.00 0.82 0.00 0.00 66.70 66.98 2c8u h VAL 95 Cb 0.64 1.42 -0.02 0.00 -1.52 0.00 0.00 31.29 31.82 2c8u h VAL 95 CO 0.05 0.13 0.15 -0.33 0.02 0.00 0.00 177.57 177.58 2c8u h GLU 96 N -0.31 0.63 0.12 1.57 4.39 -1.07 -1.56 114.58 118.36 2c8u h GLU 96 Ca -0.01 -0.09 0.00 0.00 0.34 0.00 0.00 59.36 59.60 2c8u h GLU 96 Cb 0.27 -0.11 -0.01 0.00 -0.10 0.00 0.00 28.75 28.80 2c8u h GLU 96 CO 0.01 0.54 -0.11 -0.22 -1.16 0.00 0.00 179.01 178.08 2c8u h LYS 97 N 0.63 -0.24 -0.09 2.33 3.64 -0.73 -0.43 116.57 121.67 2c8u h LYS 97 Ca 0.15 0.02 -0.16 0.00 -1.27 0.00 0.00 60.65 59.38 2c8u h LYS 97 Cb 0.17 0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 32.03 2c8u h LYS 97 CO -0.01 -0.16 -0.64 1.25 -2.27 0.00 0.00 179.45 177.61 2c8u h LEU 98 N -0.25 0.39 -0.49 5.20 5.85 -1.18 -1.08 115.31 123.75 2c8u h LEU 98 Ca 0.00 -0.24 -0.01 0.00 0.84 0.00 0.00 57.88 58.48 2c8u h LEU 98 Cb 0.24 -0.11 -0.02 0.00 0.37 0.00 0.00 40.66 41.13 2c8u h LEU 98 CO -0.03 0.93 0.28 0.40 -0.34 0.00 0.00 178.44 179.69 2c8u h ILE 99 N 0.25 1.16 -0.35 4.05 2.04 -1.22 -0.60 117.51 122.85 2c8u h ILE 99 Ca -0.01 -0.39 0.05 0.00 1.00 0.00 0.00 64.86 65.51 2c8u h ILE 99 Cb 1.18 0.53 -0.04 0.00 -0.74 0.00 0.00 36.82 37.75 2c8u h ILE 99 CO 0.11 0.17 0.09 1.23 0.00 0.00 0.00 178.15 179.75 2c8u h GLY 100 N 0.65 0.42 1.01 5.37 0.00 -0.70 -0.69 103.07 109.13 2c8u h GLY 100 Ca 0.17 -0.05 -0.03 0.00 0.00 0.00 0.00 47.33 47.42 2c8u h GLY 100 CO -0.03 0.00 0.29 1.46 0.00 0.00 0.00 176.54 178.26 2c8u h GLN 101 N 0.23 0.98 -0.58 4.80 4.20 -0.95 -1.77 115.11 122.03 2c8u h GLN 101 Ca 0.16 -0.16 -0.11 0.00 0.06 0.00 0.00 58.65 58.60 2c8u h GLN 101 Cb 0.16 -0.17 -0.02 0.00 0.30 0.00 0.00 27.48 27.76 2c8u h GLN 101 CO -0.19 0.80 -0.06 0.00 -0.67 0.00 0.00 178.83 178.71 2c8u h ALA 102 N 1.13 0.80 -0.79 3.87 0.00 -0.90 -2.44 119.26 120.93 2c8u h ALA 102 Ca 0.22 -0.33 -0.01 0.00 0.00 0.00 0.00 54.91 54.79 2c8u h ALA 102 Cb 0.17 -0.21 -0.04 0.00 0.00 0.00 0.00 17.79 17.71 2c8u h ALA 102 CO -0.02 0.67 0.44 0.93 0.00 0.00 0.00 179.25 181.27 2c8u h GLU 103 N 0.95 1.10 -0.94 0.00 5.08 -1.02 0.30 114.58 120.04 2c8u h GLU 103 Ca 0.16 -0.12 0.01 0.00 -1.00 0.00 0.00 59.36 58.41 2c8u h GLU 103 Cb 0.62 -0.22 -0.05 0.00 0.50 0.00 0.00 28.75 29.61 2c8u h GLU 103 CO 0.04 0.80 0.62 -0.44 -1.00 0.00 0.00 179.01 179.03 2c8u h ASP 104 N 1.11 1.07 -0.21 1.42 3.45 -1.17 -0.01 116.42 122.07 2c8u h ASP 104 Ca 0.28 -0.02 -0.09 0.00 0.43 0.00 0.00 57.03 57.63 2c8u h ASP 104 Cb 0.01 -0.26 -0.00 0.00 -0.56 0.00 0.00 39.33 38.52 2c8u h ASP 104 CO -0.05 0.76 -0.21 0.25 -1.57 0.00 0.00 179.24 178.43 2c8u h LEU 105 N 1.26 0.55 -0.97 1.55 5.85 -0.85 -2.98 115.31 119.72 2c8u h LEU 105 Ca 0.35 -0.48 0.13 0.00 0.84 0.00 0.00 57.88 58.72 2c8u h LEU 105 Cb -0.12 -0.15 -0.09 0.00 0.37 0.00 0.00 40.66 40.67 2c8u h LEU 105 CO -0.08 0.91 0.60 -0.08 -0.34 0.00 0.00 178.44 179.44 2c8u h GLU 106 N 0.19 0.90 0.00 1.25 4.57 -0.18 -1.27 114.58 120.04 2c8u h GLU 106 Ca 0.03 -0.05 -0.04 0.00 -1.18 0.00 0.00 59.36 58.11 2c8u h GLU 106 Cb 0.76 -0.20 -0.01 0.00 -0.16 0.00 0.00 28.75 29.14 2c8u h GLU 106 CO 0.05 0.59 -0.21 0.45 -1.18 0.00 0.00 179.01 178.72 2c8u h HIS 107 N 0.92 0.00 -0.07 0.92 3.86 -0.85 0.10 115.15 120.03 2c8u h HIS 107 Ca 0.49 0.00 -0.03 0.00 -1.16 0.00 0.00 60.37 59.67 2c8u h HIS 107 Cb 0.52 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 28.99 2c8u h HIS 107 CO -0.02 0.21 -0.07 0.93 0.86 0.00 0.00 177.93 179.84 2c8u h GLU 108 N 0.00 0.18 -0.99 2.45 4.39 -1.14 -3.02 114.58 116.45 2c8u h GLU 108 Ca -0.00 -0.09 0.14 0.00 0.34 0.00 0.00 59.36 59.75 2c8u h GLU 108 Cb 0.40 0.00 -0.09 0.00 -0.10 0.00 0.00 28.75 28.96 2c8u h GLU 108 CO 0.03 0.61 0.62 -0.92 -1.16 0.00 0.00 179.01 178.19 2c8u h TYR 109 N -0.25 1.07 -0.44 4.33 3.20 -1.03 -1.92 116.97 121.94 2c8u h TYR 109 Ca 0.01 0.03 0.04 0.00 3.14 0.00 0.00 58.73 61.96 2c8u h TYR 109 Cb 0.58 -0.34 -0.02 0.00 1.54 0.00 0.00 36.73 38.49 2c8u h TYR 109 CO 0.09 0.37 0.29 1.88 -1.64 0.00 0.00 178.16 179.16 2c8u h TYR 110 N 0.89 0.42 -0.03 -3.82 0.99 -0.86 -2.17 116.97 112.38 2c8u h TYR 110 Ca 0.51 0.01 0.01 0.00 2.00 0.00 0.00 58.73 61.26 2c8u h TYR 110 Cb 0.64 -0.14 -0.00 0.00 1.00 0.00 0.00 36.73 38.23 2c8u h TYR 110 CO -0.00 0.24 0.05 0.87 -0.00 0.00 0.00 178.16 179.31 2c8u h LYS 111 N 0.43 0.00 0.00 4.88 1.57 -1.30 -1.14 116.57 121.00 2c8u h LYS 111 Ca 0.18 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.96 2c8u h LYS 111 Cb 0.19 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.50 2c8u h LYS 111 CO -0.04 0.00 -0.31 1.79 -0.57 0.00 0.00 179.45 180.31 2c8u h THR 112 N 0.00 0.00 -3.91 -0.16 1.35 -1.52 -3.48 112.91 105.20 2c8u h THR 112 Ca 0.01 -0.77 -0.48 0.00 -0.55 0.00 0.00 66.41 64.62 2c8u h THR 112 Cb 0.11 1.60 0.00 0.00 -1.73 0.00 0.00 68.15 68.13 2c8u h THR 112 CO -0.00 0.00 0.39 -0.76 -0.25 0.00 0.00 175.52 174.90 2c8u s LEU 113 N -5.26 4.29 -1.60 3.87 1.43 -0.43 -3.76 118.68 117.21 2c8u s LEU 113 Ca 0.06 1.98 -0.01 0.00 -1.03 0.00 0.00 54.13 55.13 2c8u s LEU 113 Cb 0.09 -4.03 0.00 0.00 0.03 0.00 0.00 46.19 42.28 2c8u s LEU 113 CO 0.68 -0.25 0.10 0.23 0.23 0.00 0.00 176.35 177.35 2c8u n MET 114 N 0.39 -2.09 -3.84 1.70 2.81 -1.26 -5.02 117.12 109.81 2c8u n MET 114 Ca 0.03 0.91 -0.21 0.00 -1.81 0.00 0.00 57.70 56.63 2c8u n MET 114 Cb 0.49 -5.51 -0.02 0.00 -0.71 0.00 0.00 33.22 27.47 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 -5.08 3.13 0.75 0.03 -0.14 -1.25 -5.11 119.74 112.08 2c8u s LYS 115 Ca 0.05 -0.97 -0.12 0.00 -1.36 0.00 0.00 55.97 53.57 2c8u s LYS 115 Cb -0.02 -2.74 0.04 0.00 -1.68 0.00 0.00 37.83 33.43 2c8u s LYS 115 CO 0.06 0.28 1.12 -1.25 -0.76 0.00 0.00 175.35 174.80 2c8u s PRO 116 N -4.00 2.50 0.00 -1.68 0.04 -1.26 -4.80 135.00 125.79 2c8u s PRO 116 Ca 0.38 0.36 0.00 0.00 0.04 0.00 0.00 61.00 61.77 2c8u s PRO 116 Cb -0.08 -1.99 0.00 0.00 0.04 0.00 0.00 34.50 32.47 2c8u s PRO 116 CO 0.28 -1.27 0.00 -0.85 0.04 0.00 0.00 177.00 175.21 2c8u n GLU 117 N -3.14 0.00 -3.92 4.56 0.28 -1.26 -1.93 120.64 115.23 2c8u n GLU 117 Ca 0.07 0.00 -0.14 0.00 -0.16 0.00 0.00 57.16 56.93 2c8u n GLU 117 Cb 0.58 0.00 -0.15 0.00 1.43 0.00 0.00 31.44 33.30 2c8u n GLU 117 CO 0.00 0.00 0.00 -1.83 -0.16 0.00 0.00 177.13 175.14 2c8u s GLU 118 N -4.15 0.14 0.52 3.44 4.04 -1.26 -1.16 118.70 120.27 2c8u s GLU 118 Ca 0.00 0.02 0.24 0.00 0.04 0.00 0.00 54.97 55.27 2c8u s GLU 118 Cb 0.00 -0.24 1.36 0.00 0.02 0.00 0.00 34.13 35.27 2c8u s GLU 118 CO 0.00 -0.04 1.99 0.93 -1.84 0.00 0.00 175.26 176.29 2c8u h GLU 119 N 6.60 0.05 -0.66 -4.83 5.08 -1.90 -3.48 114.58 115.43 2c8u h GLU 119 Ca -0.33 -0.00 0.06 0.00 -1.00 0.00 0.00 59.36 58.09 2c8u h GLU 119 Cb 1.17 -0.01 -0.09 0.00 0.50 0.00 0.00 28.75 30.32 2c8u h GLU 119 CO 0.50 0.03 -0.46 -0.22 -1.00 0.00 0.00 179.01 177.86 2c8u h LYS 120 N 0.05 -0.08 -0.94 2.33 3.64 -1.45 0.21 116.57 120.33 2c8u h LYS 120 Ca 0.27 0.01 0.13 0.00 -1.27 0.00 0.00 60.65 59.79 2c8u h LYS 120 Cb 1.01 0.02 -0.09 0.00 -0.41 0.00 0.00 32.23 32.76 2c8u h LYS 120 CO -0.02 -0.05 0.56 1.96 -2.27 0.00 0.00 179.45 179.63 2c8u h GLN 121 N -0.08 0.82 -0.39 1.90 4.20 -1.39 0.19 115.11 120.35 2c8u h GLN 121 Ca 0.11 -0.05 -0.13 0.00 0.06 0.00 0.00 58.65 58.64 2c8u h GLN 121 Cb 0.36 -0.18 -0.01 0.00 0.30 0.00 0.00 27.48 27.95 2c8u h GLN 121 CO -0.67 0.54 -0.24 0.87 -0.67 0.00 0.00 178.83 178.66 2c8u h LYS 122 N 0.84 0.86 0.12 1.46 1.57 -1.33 -2.38 116.57 117.71 2c8u h LYS 122 Ca 0.49 -0.40 -0.01 0.00 -1.87 0.00 0.00 60.65 58.86 2c8u h LYS 122 Cb 0.57 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.87 2c8u h LYS 122 CO -0.30 1.04 -0.06 0.82 -0.57 0.00 0.00 179.45 180.38 2c8u h ILE 123 N 0.67 1.03 -0.45 1.86 1.08 0.24 -2.11 117.51 119.82 2c8u h ILE 123 Ca 0.08 -0.62 0.09 0.00 -0.39 0.00 0.00 64.86 64.02 2c8u h ILE 123 Cb 0.81 1.42 -0.09 0.00 -3.07 0.00 0.00 36.82 35.90 2c8u h ILE 123 CO 0.07 0.15 -0.12 0.40 -0.69 0.00 0.00 178.15 177.95 2c8u h ILE 124 N -0.45 0.53 -0.70 -0.67 2.04 -0.71 0.21 117.51 117.75 2c8u h ILE 124 Ca -0.02 0.00 0.05 0.00 1.00 0.00 0.00 64.86 65.90 2c8u h ILE 124 Cb 0.37 0.53 -0.05 0.00 -0.74 0.00 0.00 36.82 36.92 2c8u h ILE 124 CO 0.03 0.00 0.40 0.50 0.00 0.00 0.00 178.15 179.08 2c8u h LYS 125 N -0.01 0.73 -0.42 2.37 3.64 -1.45 0.02 116.57 121.45 2c8u h LYS 125 Ca 0.22 -0.04 -0.12 0.00 -1.27 0.00 0.00 60.65 59.44 2c8u h LYS 125 Cb 0.35 -0.16 -0.01 0.00 -0.41 0.00 0.00 32.23 31.99 2c8u h LYS 125 CO -0.48 0.48 -0.20 0.93 -2.27 0.00 0.00 179.45 177.91 2c8u h GLU 126 N 0.75 0.87 -0.19 1.90 5.08 -0.29 -2.95 114.58 119.76 2c8u h GLU 126 Ca 0.31 -0.38 -0.22 0.00 -1.00 0.00 0.00 59.36 58.07 2c8u h GLU 126 Cb 0.16 -0.02 0.01 0.00 0.50 0.00 0.00 28.75 29.39 2c8u h GLU 126 CO -0.17 1.03 -0.73 -0.84 -1.00 0.00 0.00 179.01 177.30 2c8u h ILE 127 N 0.69 1.27 0.00 3.13 3.07 -0.38 -1.44 117.51 123.85 2c8u h ILE 127 Ca 0.09 -1.92 -0.01 0.00 1.55 0.00 0.00 64.86 64.57 2c8u h ILE 127 Cb 0.77 1.90 -0.00 0.00 -0.27 0.00 0.00 36.82 39.22 2c8u h ILE 127 CO 0.06 0.61 -0.05 -0.07 -1.05 0.00 0.00 178.15 177.66 2c8u h LEU 128 N 0.57 0.00 0.00 0.16 3.38 -1.04 -1.70 115.31 116.68 2c8u h LEU 128 Ca -0.04 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.93 2c8u h LEU 128 Cb 1.36 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.11 2c8u h LEU 128 CO 0.15 0.05 -1.32 0.59 0.09 0.00 0.00 178.44 178.00 2c8u n ASN 129 N -3.22 0.59 0.00 -0.43 4.13 -1.12 -4.45 115.26 110.77 2c8u n ASN 129 Ca -0.01 -0.50 0.00 0.00 1.68 0.00 0.00 54.58 55.75 2c8u n ASN 129 Cb 0.25 1.26 0.00 0.00 -1.54 0.00 0.00 39.78 39.76 2c8u n ASN 129 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2c8u n GLY 130 N 1.40 0.01 0.14 7.41 0.00 -0.55 -4.93 105.19 108.66 2c8u n GLY 130 Ca 0.01 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.04 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 0.09 1.61 1.57 -1.78 -3.35 116.57 114.71 2c8u h LYS 131 Ca 0.00 0.00 0.02 0.00 -1.87 0.00 0.00 60.65 58.80 2c8u h LYS 131 Cb 0.00 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.28 2c8u h LYS 131 CO 0.00 0.57 -0.20 0.28 -0.57 0.00 0.00 179.45 179.53 2c8u h VAL 132 N 0.00 0.53 -0.27 0.50 2.07 -1.73 -0.21 116.25 117.14 2c8u h VAL 132 Ca -0.01 0.00 -0.06 0.00 0.82 0.00 0.00 66.70 67.45 2c8u h VAL 132 Cb 1.29 0.53 -0.02 0.00 -1.52 0.00 0.00 31.29 31.58 2c8u h VAL 132 CO 0.07 0.00 -0.10 1.55 0.02 0.00 0.00 177.57 179.12 2c8u h PRO 133 N -0.37 0.45 -0.37 1.57 0.13 -1.78 -1.10 132.00 130.52 2c8u h PRO 133 Ca 0.03 -0.12 -0.00 0.00 -0.87 0.00 0.00 66.00 65.05 2c8u h PRO 133 Cb 0.41 -0.05 -0.02 0.00 0.13 0.00 0.00 31.00 31.46 2c8u h PRO 133 CO -0.13 0.56 0.23 0.28 -0.23 0.00 0.00 178.00 178.71 2c8u h VAL 134 N 0.42 1.12 -0.43 1.56 2.07 -1.62 -1.86 116.25 117.51 2c8u h VAL 134 Ca 0.08 -0.26 -0.12 0.00 0.82 0.00 0.00 66.70 67.23 2c8u h VAL 134 Cb 0.43 0.62 -0.01 0.00 -1.52 0.00 0.00 31.29 30.81 2c8u h VAL 134 CO 0.02 0.12 -0.20 -0.07 0.02 0.00 0.00 177.57 177.46 2c8u h LEU 135 N 0.49 0.85 -0.83 2.57 3.38 -0.71 -1.70 115.31 119.37 2c8u h LEU 135 Ca 0.13 -0.30 -0.06 0.00 0.09 0.00 0.00 57.88 57.74 2c8u h LEU 135 Cb -0.01 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 40.47 2c8u h LEU 135 CO -0.03 1.03 0.22 -0.07 0.09 0.00 0.00 178.44 179.69 2c8u h LEU 136 N 0.74 1.02 -0.46 1.67 3.38 -1.16 -1.41 115.31 119.09 2c8u h LEU 136 Ca 0.10 -0.19 -0.03 0.00 0.09 0.00 0.00 57.88 57.86 2c8u h LEU 136 Cb 0.73 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 41.19 2c8u h LEU 136 CO 0.06 0.95 0.17 0.44 0.09 0.00 0.00 178.44 180.14 2c8u h ASP 137 N 1.05 0.65 -0.76 -0.43 3.32 -1.11 -0.04 116.42 119.11 2c8u h ASP 137 Ca 0.23 -0.19 0.01 0.00 0.02 0.00 0.00 57.03 57.11 2c8u h ASP 137 Cb 0.29 -0.17 -0.04 0.00 0.22 0.00 0.00 39.33 39.63 2c8u h ASP 137 CO -0.01 0.66 0.50 0.40 -1.72 0.00 0.00 179.24 179.07 2c8u h ILE 138 N 0.60 1.17 -0.47 0.35 2.04 -1.05 -1.49 117.51 118.67 2c8u h ILE 138 Ca 0.15 -0.34 -0.09 0.00 1.00 0.00 0.00 64.86 65.57 2c8u h ILE 138 Cb 0.23 0.08 -0.02 0.00 -0.74 0.00 0.00 36.82 36.37 2c8u h ILE 138 CO -0.01 0.18 -0.08 0.40 0.00 0.00 0.00 178.15 178.65 2c8u h ILE 139 N 1.01 1.27 -0.49 -0.67 2.04 -1.09 -1.00 117.51 118.58 2c8u h ILE 139 Ca 0.29 -1.18 0.06 0.00 1.00 0.00 0.00 64.86 65.03 2c8u h ILE 139 Cb -0.08 1.08 -0.06 0.00 -0.74 0.00 0.00 36.82 37.03 2c8u h ILE 139 CO -0.08 0.41 0.18 0.00 0.00 0.00 0.00 178.15 178.66 2c8u h GLU 141 N 0.36 0.40 -0.70 0.00 4.39 -1.11 -0.90 114.58 117.01 2c8u h GLU 141 Ca 0.23 -0.18 -0.03 0.00 0.34 0.00 0.00 59.36 59.72 2c8u h GLU 141 Cb 0.24 -0.01 -0.03 0.00 -0.10 0.00 0.00 28.75 28.85 2c8u h GLU 141 CO -0.23 0.72 0.32 0.77 -1.16 0.00 0.00 179.01 179.42 2c8u h SER 142 N 0.33 0.93 -0.57 1.42 0.02 -0.73 -2.24 113.55 112.72 2c8u h SER 142 Ca 0.03 -0.15 -0.06 0.00 -0.84 0.00 0.00 61.79 60.78 2c8u h SER 142 Cb 0.82 -0.24 -0.02 0.00 0.14 0.00 0.00 62.40 63.09 2c8u h SER 142 CO 0.07 0.82 0.13 -0.07 -1.14 0.00 0.00 176.83 176.64 2c8u h LEU 143 N 0.99 0.88 -1.10 5.07 3.38 -0.73 -2.68 115.31 121.12 2c8u h LEU 143 Ca 0.24 -0.24 0.07 0.00 0.09 0.00 0.00 57.88 58.04 2c8u h LEU 143 Cb 0.15 -0.23 -0.06 0.00 0.09 0.00 0.00 40.66 40.61 2c8u h LEU 143 CO -0.03 0.89 0.61 0.11 0.09 0.00 0.00 178.44 180.12 2c8u h LYS 144 N 0.83 1.05 0.00 1.13 1.57 -1.05 -2.12 116.57 117.98 2c8u h LYS 144 Ca 0.18 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.90 2c8u h LYS 144 Cb 0.36 -0.24 0.00 0.00 0.08 0.00 0.00 32.23 32.44 2c8u h LYS 144 CO 0.00 0.69 0.00 0.00 -0.57 0.00 0.00 179.45 179.58 2c8u n ALA 145 N -2.38 2.59 -1.77 3.86 0.00 -0.85 -4.84 120.51 117.12 2c8u n ALA 145 Ca 0.14 -0.17 -0.39 0.00 0.00 0.00 0.00 53.44 53.02 2c8u n ALA 145 Cb 0.20 -1.45 -0.00 0.00 0.00 0.00 0.00 19.45 18.19 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 -1.94 6.20 0.00 0.00 0.15 -0.80 -4.91 113.70 112.40 2c8u s SER 146 Ca 0.42 2.54 0.29 0.00 0.70 0.00 0.00 55.95 59.90 2c8u s SER 146 Cb 0.19 -2.63 1.33 0.00 -1.71 0.00 0.00 66.02 63.21 2c8u s SER 146 CO 0.32 -0.91 1.97 0.35 1.20 0.00 0.00 173.24 176.17 2c8u n THR 147 N -0.13 0.01 -3.51 6.45 -2.24 -1.26 -4.89 114.28 108.71 2c8u n THR 147 Ca 0.05 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.84 2c8u n THR 147 Cb 0.45 -0.51 0.00 0.00 -2.10 0.00 0.00 70.33 68.17 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 1.40 5.69 0.01 3.38 0.00 -1.21 -4.86 105.19 109.61 2c8u n GLY 148 Ca 0.09 -1.99 0.13 0.00 0.00 0.00 0.00 46.02 44.25 2c8u n GLY 148 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2c8u n LYS 149 N 0.00 0.05 -3.99 1.61 5.02 -1.09 -4.80 118.16 114.96 2c8u n LYS 149 Ca 0.00 -0.02 -0.26 0.00 -2.02 0.00 0.00 58.31 56.01 2c8u n LYS 149 Cb 0.00 -1.50 -0.03 0.00 -0.02 0.00 0.00 35.03 33.48 2c8u n LYS 149 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2c8u s LEU 150 N -2.96 2.85 0.26 -0.35 1.43 -0.32 -4.80 118.68 114.80 2c8u s LEU 150 Ca 0.14 -1.18 -0.03 0.00 -1.03 0.00 0.00 54.13 52.03 2c8u s LEU 150 Cb 0.18 -1.32 0.55 0.00 0.03 0.00 0.00 46.19 45.63 2c8u s LEU 150 CO 0.60 -0.88 1.67 0.00 0.23 0.00 0.00 176.35 177.97 2c8u h ALA 151 N 1.02 1.06 -3.42 4.21 0.00 -1.90 -3.34 119.26 116.88 2c8u h ALA 151 Ca -0.40 0.19 -0.56 0.00 0.00 0.00 0.00 54.91 54.15 2c8u h ALA 151 Cb 1.29 0.27 -0.39 0.00 0.00 0.00 0.00 17.79 18.96 2c8u h ALA 151 CO 0.62 -0.38 -0.77 0.08 0.00 0.00 0.00 179.25 178.80 2c8u s VAL 152 N -6.01 0.96 0.00 0.00 1.01 -1.26 -4.56 120.40 110.53 2c8u s VAL 152 Ca -0.13 -0.81 0.00 0.00 0.00 0.00 0.00 61.98 61.04 2c8u s VAL 152 Cb 0.23 -1.34 0.00 0.00 0.00 0.00 0.00 36.38 35.27 2c8u s VAL 152 CO 0.76 -0.13 0.00 0.61 0.00 0.00 0.00 175.10 176.34 2c8u n GLY 153 N 4.89 1.34 0.05 4.51 0.00 -1.25 -4.24 105.19 110.49 2c8u n GLY 153 Ca -0.10 -0.64 0.03 0.00 0.00 0.00 0.00 46.02 45.32 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 -0.63 0.54 -4.50 1.61 2.03 -1.26 -1.17 116.55 113.17 2c8u n ASP 154 Ca 0.00 -0.77 -0.24 0.00 0.52 0.00 0.00 54.79 54.29 2c8u n ASP 154 Cb 0.00 0.84 -0.10 0.00 -0.72 0.00 0.00 41.12 41.14 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 -1.50 1.77 0.12 -0.67 1.02 -1.26 -4.66 119.74 114.56 2c8u s LYS 155 Ca 0.04 -1.65 -0.31 0.00 0.02 0.00 0.00 55.97 54.07 2c8u s LYS 155 Cb 0.06 -1.86 -0.08 0.00 -0.52 0.00 0.00 37.83 35.42 2c8u s LYS 155 CO 0.26 0.35 1.36 0.08 -0.92 0.00 0.00 175.35 176.48 2c8u s VAL 156 N -2.31 3.36 0.35 3.17 1.01 -1.26 -4.75 120.40 119.97 2c8u s VAL 156 Ca 0.28 0.99 0.04 0.00 0.00 0.00 0.00 61.98 63.29 2c8u s VAL 156 Cb -0.06 -3.63 -0.06 0.00 0.00 0.00 0.00 36.38 32.63 2c8u s VAL 156 CO 0.15 0.08 0.06 0.42 0.00 0.00 0.00 175.10 175.81 2c8u s THR 157 N 1.00 1.18 0.37 3.92 -4.23 -1.26 -4.47 115.64 112.15 2c8u s THR 157 Ca 0.63 -2.00 0.07 0.00 -1.18 0.00 0.00 61.69 59.21 2c8u s THR 157 Cb -0.36 -2.73 0.30 0.00 1.34 0.00 0.00 72.50 71.05 2c8u s THR 157 CO 0.31 0.00 1.95 0.25 -0.54 0.00 0.00 174.62 176.59 2c8u h LEU 158 N 2.02 0.63 -0.93 4.79 5.85 -1.11 -1.59 115.31 124.98 2c8u h LEU 158 Ca -0.40 0.01 0.15 0.00 0.84 0.00 0.00 57.88 58.48 2c8u h LEU 158 Cb 1.25 -0.13 -0.10 0.00 0.37 0.00 0.00 40.66 42.06 2c8u h LEU 158 CO 0.69 0.40 0.53 0.00 -0.34 0.00 0.00 178.44 179.72 2c8u h ALA 159 N 1.61 1.45 -0.53 1.25 0.00 -1.83 -0.65 119.26 120.57 2c8u h ALA 159 Ca 0.33 0.07 0.02 0.00 0.00 0.00 0.00 54.91 55.33 2c8u h ALA 159 Cb 0.35 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.02 2c8u h ALA 159 CO -0.11 -0.00 0.32 -0.44 0.00 0.00 0.00 179.25 179.01 2c8u h ASP 160 N 0.75 0.52 0.12 0.00 3.32 -1.68 -1.75 116.42 117.70 2c8u h ASP 160 Ca 0.50 0.00 -0.28 0.00 0.02 0.00 0.00 57.03 57.27 2c8u h ASP 160 Cb 0.68 -0.11 0.02 0.00 0.22 0.00 0.00 39.33 40.15 2c8u h ASP 160 CO -0.34 0.37 -1.17 -0.07 -1.72 0.00 0.00 179.24 176.31 2c8u h LEU 161 N 0.64 0.85 -0.82 1.55 3.38 -1.32 -2.47 115.31 117.12 2c8u h LEU 161 Ca 0.21 -0.75 0.00 0.00 0.09 0.00 0.00 57.88 57.43 2c8u h LEU 161 Cb 0.01 -0.27 -0.04 0.00 0.09 0.00 0.00 40.66 40.46 2c8u h LEU 161 CO -0.09 1.56 0.53 0.58 0.09 0.00 0.00 178.44 181.10 2c8u h VAL 162 N 0.30 1.22 0.10 1.22 2.07 -1.21 -2.55 116.25 117.40 2c8u h VAL 162 Ca -0.16 -0.42 -0.00 0.00 0.82 0.00 0.00 66.70 66.93 2c8u h VAL 162 Cb 1.83 0.03 0.00 0.00 -1.52 0.00 0.00 31.29 31.63 2c8u h VAL 162 CO 0.22 0.21 -0.05 0.25 0.02 0.00 0.00 177.57 178.23 2c8u h LEU 163 N 1.11 -0.11 -1.04 2.57 5.85 -1.15 -2.16 115.31 120.38 2c8u h LEU 163 Ca 0.30 -0.07 -0.05 0.00 0.84 0.00 0.00 57.88 58.90 2c8u h LEU 163 Cb -0.10 0.03 -0.03 0.00 0.37 0.00 0.00 40.66 40.93 2c8u h LEU 163 CO -0.06 -0.00 0.16 0.16 -0.34 0.00 0.00 178.44 178.35 2c8u h ILE 164 N -0.22 1.22 -0.38 4.05 3.07 -1.32 -1.00 117.51 122.93 2c8u h ILE 164 Ca -0.01 -0.78 0.00 0.00 1.55 0.00 0.00 64.86 65.61 2c8u h ILE 164 Cb 0.18 0.63 -0.02 0.00 -0.27 0.00 0.00 36.82 37.33 2c8u h ILE 164 CO 0.02 0.30 0.25 0.00 -1.05 0.00 0.00 178.15 177.67 2c8u h ALA 165 N 1.35 0.49 -0.50 0.16 0.00 -1.39 -2.00 119.26 117.38 2c8u h ALA 165 Ca 0.18 -0.04 -0.10 0.00 0.00 0.00 0.00 54.91 54.96 2c8u h ALA 165 Cb 0.27 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 2c8u h ALA 165 CO -0.01 -0.04 -0.07 0.28 0.00 0.00 0.00 179.25 179.41 2c8u h VAL 166 N 0.52 1.27 -0.84 0.00 2.07 -0.88 -2.88 116.25 115.51 2c8u h VAL 166 Ca 0.14 -1.20 0.02 0.00 0.82 0.00 0.00 66.70 66.48 2c8u h VAL 166 Cb -0.04 1.02 -0.05 0.00 -1.52 0.00 0.00 31.29 30.71 2c8u h VAL 166 CO -0.03 0.42 0.55 0.40 0.02 0.00 0.00 177.57 178.93 2c8u h ILE 167 N 0.79 1.18 0.00 4.57 1.08 -1.06 -1.93 117.51 122.14 2c8u h ILE 167 Ca 0.13 -0.38 -0.01 0.00 -0.39 0.00 0.00 64.86 64.21 2c8u h ILE 167 Cb 0.62 -0.02 -0.00 0.00 -3.07 0.00 0.00 36.82 34.35 2c8u h ILE 167 CO 0.04 0.20 -0.06 0.44 -0.69 0.00 0.00 178.15 178.08 2c8u h ASP 168 N 1.11 0.00 -0.32 1.72 3.45 -1.27 -0.42 116.42 120.68 2c8u h ASP 168 Ca 0.32 0.00 -0.12 0.00 0.43 0.00 0.00 57.03 57.66 2c8u h ASP 168 Cb -0.07 0.00 -0.01 0.00 -0.56 0.00 0.00 39.33 38.69 2c8u h ASP 168 CO -0.09 0.06 -0.28 0.45 -1.57 0.00 0.00 179.24 177.81 2c8u h HIS 169 N 0.00 0.89 0.20 4.55 3.86 -1.16 -1.01 115.15 122.48 2c8u h HIS 169 Ca -0.00 -0.26 0.00 0.00 -1.16 0.00 0.00 60.37 58.96 2c8u h HIS 169 Cb 0.10 -0.19 -0.02 0.00 1.06 0.00 0.00 27.41 28.36 2c8u h HIS 169 CO 0.00 1.01 -0.20 0.28 0.86 0.00 0.00 177.93 179.88 2c8u h VAL 170 N 0.51 0.56 0.00 2.45 2.07 -0.44 -1.86 116.25 119.54 2c8u h VAL 170 Ca 0.05 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.56 2c8u h VAL 170 Cb 0.85 0.56 -0.00 0.00 -1.52 0.00 0.00 31.29 31.18 2c8u h VAL 170 CO 0.07 0.00 -0.07 0.71 0.02 0.00 0.00 177.57 178.30 2c8u h THR 171 N -0.43 0.54 -0.60 2.57 1.35 -1.18 -0.05 112.91 115.11 2c8u h THR 171 Ca 0.00 -0.33 0.07 0.00 -0.55 0.00 0.00 66.41 65.60 2c8u h THR 171 Cb 0.41 1.21 -0.04 0.00 -1.73 0.00 0.00 68.15 68.00 2c8u h THR 171 CO -0.05 0.07 0.40 0.44 -0.25 0.00 0.00 175.52 176.13 2c8u h ASP 172 N 0.00 0.48 0.21 5.36 3.45 -0.34 -1.86 116.42 123.73 2c8u h ASP 172 Ca -0.00 0.00 -0.32 0.00 0.43 0.00 0.00 57.03 57.14 2c8u h ASP 172 Cb 0.21 -0.10 0.03 0.00 -0.56 0.00 0.00 39.33 38.90 2c8u h ASP 172 CO 0.01 0.31 -1.47 -0.07 -1.57 0.00 0.00 179.24 176.45 2c8u h LEU 173 N 0.55 0.71 -6.51 1.55 3.38 -0.71 -3.44 115.31 110.84 2c8u h LEU 173 Ca 0.26 -0.93 -0.29 0.00 0.09 0.00 0.00 57.88 57.01 2c8u h LEU 173 Cb 0.33 -0.23 -0.33 0.00 0.09 0.00 0.00 40.66 40.52 2c8u h LEU 173 CO -0.08 1.69 -0.61 -0.62 0.09 0.00 0.00 178.44 178.92 2c8u s ASP 174 N -7.39 1.33 0.62 -0.43 2.15 -0.96 -5.04 116.67 106.94 2c8u s ASP 174 Ca -0.12 -0.54 0.35 0.00 0.43 0.00 0.00 52.55 52.67 2c8u s ASP 174 Cb 0.04 0.63 2.02 0.00 -0.30 0.00 0.00 42.92 45.31 2c8u s ASP 174 CO 0.89 -0.37 2.29 0.11 -0.17 0.00 0.00 175.17 177.93 2c8u h LYS 175 N 8.25 0.00 -0.21 4.34 1.57 -1.62 -1.82 116.57 127.08 2c8u h LYS 175 Ca -0.14 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.64 2c8u h LYS 175 Cb 1.10 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.41 2c8u h LYS 175 CO 0.31 0.00 0.00 0.39 -0.57 0.00 0.00 179.45 179.58 2c8u n GLU 176 N -3.60 2.33 -0.07 3.15 -0.58 -1.26 -4.65 120.64 115.95 2c8u n GLU 176 Ca -0.03 -1.98 0.05 0.00 -0.42 0.00 0.00 57.16 54.78 2c8u n GLU 176 Cb 0.08 -1.48 0.39 0.00 -0.57 0.00 0.00 31.44 29.86 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 4.28 0.61 -0.02 -0.32 3.57 -1.70 -1.63 116.94 121.72 2c8u h PHE 177 Ca 0.00 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.51 2c8u h PHE 177 Cb 0.93 -0.21 0.00 0.00 2.79 0.00 0.00 35.95 39.46 2c8u h PHE 177 CO 0.12 0.37 -0.07 1.28 -2.23 0.00 0.00 178.31 177.78 2c8u n LEU 178 N -4.47 2.64 -4.68 0.59 4.32 -1.26 -4.91 117.00 109.23 2c8u n LEU 178 Ca 0.06 -0.96 -0.42 0.00 -0.02 0.00 0.00 56.01 54.67 2c8u n LEU 178 Cb 0.12 0.00 -0.03 0.00 -1.62 0.00 0.00 43.42 41.89 2c8u n LEU 178 CO 0.35 0.45 1.49 -0.89 -1.22 0.00 0.00 177.39 177.58 2c8u s THR 179 N -1.88 2.69 -0.31 -5.08 2.01 -0.62 -1.80 115.64 110.65 2c8u s THR 179 Ca 0.24 0.08 0.00 0.00 0.31 0.00 0.00 61.69 62.32 2c8u s THR 179 Cb 0.18 -3.05 0.00 0.00 0.01 0.00 0.00 72.50 69.64 2c8u s THR 179 CO 0.31 -0.00 0.00 0.61 -0.69 0.00 0.00 174.62 174.85 2c8u n GLY 180 N 4.29 0.57 3.27 4.40 0.00 -1.26 -4.99 105.19 111.46 2c8u n GLY 180 Ca 0.18 -0.29 -0.15 0.00 0.00 0.00 0.00 46.02 45.76 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 -1.47 1.41 -1.28 1.61 1.02 -0.75 -4.94 119.74 115.34 2c8u s LYS 181 Ca 0.00 -1.77 -0.21 0.00 0.02 0.00 0.00 55.97 54.00 2c8u s LYS 181 Cb 0.00 0.07 0.02 0.00 -0.52 0.00 0.00 37.83 37.40 2c8u s LYS 181 CO 0.00 -0.41 0.55 0.66 -0.92 0.00 0.00 175.35 175.23 2c8u n TYR 182 N -0.43 -1.51 -0.06 3.18 4.02 -1.26 -4.81 117.16 116.28 2c8u n TYR 182 Ca 0.02 0.33 0.07 0.00 -0.01 0.00 0.00 57.90 58.31 2c8u n TYR 182 Cb 0.65 -3.05 0.44 0.00 -0.02 0.00 0.00 39.34 37.36 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 -2.23 0.52 -0.35 -0.72 0.13 -1.92 -0.07 132.00 127.36 2c8u h PRO 183 Ca -0.68 -0.03 -0.01 0.00 -0.87 0.00 0.00 66.00 64.40 2c8u h PRO 183 Cb 1.39 -0.12 -0.02 0.00 0.13 0.00 0.00 31.00 32.39 2c8u h PRO 183 CO 0.56 0.34 0.16 0.93 -0.23 0.00 0.00 178.00 179.76 2c8u h GLU 184 N 0.54 0.49 -0.22 0.86 3.07 -1.93 0.14 114.58 117.52 2c8u h GLU 184 Ca 0.22 -0.05 -0.09 0.00 -0.50 0.00 0.00 59.36 58.94 2c8u h GLU 184 Cb 0.21 -0.10 -0.00 0.00 -0.84 0.00 0.00 28.75 28.02 2c8u h GLU 184 CO -0.06 0.39 -0.23 0.82 -1.40 0.00 0.00 179.01 178.53 2c8u h ILE 185 N 0.49 1.32 -0.48 3.13 2.04 -1.36 0.13 117.51 122.79 2c8u h ILE 185 Ca 0.12 -1.40 -0.01 0.00 1.00 0.00 0.00 64.86 64.57 2c8u h ILE 185 Cb 0.07 1.74 -0.02 0.00 -0.74 0.00 0.00 36.82 37.87 2c8u h ILE 185 CO -0.02 0.43 0.25 0.45 0.00 0.00 0.00 178.15 179.26 2c8u h HIS 186 N 0.22 0.67 -0.81 1.37 3.86 -1.24 -2.64 115.15 116.59 2c8u h HIS 186 Ca 0.03 -0.02 -0.01 0.00 -1.16 0.00 0.00 60.37 59.21 2c8u h HIS 186 Cb 0.78 -0.21 -0.04 0.00 1.06 0.00 0.00 27.41 29.00 2c8u h HIS 186 CO 0.08 0.51 0.45 -0.22 0.86 0.00 0.00 177.93 179.61 2c8u h LYS 187 N 0.63 1.11 -0.31 2.45 1.63 -0.61 -1.69 116.57 119.77 2c8u h LYS 187 Ca 0.17 -0.12 0.04 0.00 -0.85 0.00 0.00 60.65 59.89 2c8u h LYS 187 Cb 0.08 -0.22 -0.04 0.00 -0.60 0.00 0.00 32.23 31.45 2c8u h LYS 187 CO -0.02 0.81 0.09 1.25 -3.45 0.00 0.00 179.45 178.12 2c8u h HIS 188 N 1.12 0.15 -0.28 1.91 2.76 -0.50 -0.87 115.15 119.44 2c8u h HIS 188 Ca 0.29 0.02 -0.02 0.00 -2.20 0.00 0.00 60.37 58.46 2c8u h HIS 188 Cb 0.01 -0.02 -0.01 0.00 1.55 0.00 0.00 27.41 28.93 2c8u h HIS 188 CO 0.01 0.06 0.11 -0.09 -1.30 0.00 0.00 177.93 176.71 2c8u h ARG 189 N 0.21 0.43 -0.16 5.26 2.43 -1.04 0.15 114.38 121.65 2c8u h ARG 189 Ca 0.14 -0.08 0.05 0.00 -0.81 0.00 0.00 59.98 59.28 2c8u h ARG 189 Cb 0.13 -0.07 -0.06 0.00 -0.42 0.00 0.00 29.97 29.55 2c8u h ARG 189 CO -0.16 0.46 -0.29 1.49 -1.51 0.00 0.00 179.97 179.95 2c8u h GLU 190 N 0.31 -0.33 -0.91 0.20 4.81 -1.17 -1.86 114.58 115.62 2c8u h GLU 190 Ca 0.09 0.02 0.02 0.00 -0.13 0.00 0.00 59.36 59.37 2c8u h GLU 190 Cb 0.19 0.08 -0.05 0.00 0.63 0.00 0.00 28.75 29.60 2c8u h GLU 190 CO -0.01 -0.22 0.60 -0.91 -0.73 0.00 0.00 179.01 177.74 2c8u h ASN 191 N -0.34 1.02 -0.46 1.04 2.35 -0.86 -2.55 115.58 115.77 2c8u h ASN 191 Ca 0.11 -0.02 -0.06 0.00 -0.55 0.00 0.00 56.30 55.78 2c8u h ASN 191 Cb 0.51 -0.25 -0.02 0.00 0.05 0.00 0.00 38.32 38.61 2c8u h ASN 191 CO -0.36 0.73 0.08 0.25 -1.65 0.00 0.00 177.43 176.47 2c8u h LEU 192 N 1.20 0.74 -1.43 1.61 5.85 -0.22 -2.23 115.31 120.83 2c8u h LEU 192 Ca 0.34 -0.26 -0.05 0.00 0.84 0.00 0.00 57.88 58.75 2c8u h LEU 192 Cb -0.09 -0.20 -0.01 0.00 0.37 0.00 0.00 40.66 40.74 2c8u h LEU 192 CO -0.09 0.81 -0.17 -0.07 -0.34 0.00 0.00 178.44 178.58 2c8u h LEU 193 N 0.64 0.15 -0.40 2.25 3.38 -1.09 -2.23 115.31 118.01 2c8u h LEU 193 Ca 0.14 -0.03 -0.15 0.00 0.09 0.00 0.00 57.88 57.93 2c8u h LEU 193 Cb 0.39 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.09 2c8u h LEU 193 CO 0.01 0.34 -0.32 0.00 0.09 0.00 0.00 178.44 178.56 2c8u h ALA 194 N 1.68 0.58 0.00 1.53 0.00 -1.23 -3.24 119.26 118.58 2c8u h ALA 194 Ca 0.03 -0.43 0.00 0.00 0.00 0.00 0.00 54.91 54.51 2c8u h ALA 194 Cb 0.40 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.06 2c8u h ALA 194 CO 0.03 0.64 0.00 0.77 0.00 0.00 0.00 179.25 180.68 2c8u h SER 195 N 0.74 0.00 -2.51 0.00 0.02 -0.98 -3.39 113.55 107.44 2c8u h SER 195 Ca 0.07 0.00 -0.58 0.00 -0.84 0.00 0.00 61.79 60.45 2c8u h SER 195 Cb 0.91 0.00 -0.39 0.00 0.14 0.00 0.00 62.40 63.06 2c8u h SER 195 CO 0.08 0.00 -0.87 -0.55 -1.14 0.00 0.00 176.83 174.35 2c8u s SER 196 N -4.87 2.57 0.30 3.07 0.15 -0.88 -4.97 113.70 109.07 2c8u s SER 196 Ca 0.09 -2.35 0.06 0.00 0.70 0.00 0.00 55.95 54.45 2c8u s SER 196 Cb 0.10 -0.37 0.77 0.00 -1.71 0.00 0.00 66.02 64.82 2c8u s SER 196 CO 0.58 -0.28 1.74 -0.65 1.20 0.00 0.00 173.24 175.83 2c8u h PRO 197 N 6.72 0.59 -0.17 5.44 0.11 -1.76 -0.26 132.00 142.67 2c8u h PRO 197 Ca 0.10 -0.04 0.05 0.00 0.11 0.00 0.00 66.00 66.22 2c8u h PRO 197 Cb 0.96 -0.13 -0.05 0.00 0.11 0.00 0.00 31.00 31.89 2c8u h PRO 197 CO 0.28 0.39 -0.14 0.00 -0.21 0.00 0.00 178.00 178.33 2c8u h ARG 198 N 0.61 -0.14 -0.31 1.05 3.08 -1.90 0.35 114.38 117.12 2c8u h ARG 198 Ca 0.59 0.01 -0.14 0.00 0.07 0.00 0.00 59.98 60.51 2c8u h ARG 198 Cb 1.03 0.03 -0.01 0.00 0.08 0.00 0.00 29.97 31.10 2c8u h ARG 198 CO -0.44 -0.09 -0.38 1.25 -1.07 0.00 0.00 179.97 179.23 2c8u h LEU 199 N -0.15 0.77 -0.41 3.04 5.85 -1.79 -0.56 115.31 122.07 2c8u h LEU 199 Ca 0.11 -0.34 0.06 0.00 0.84 0.00 0.00 57.88 58.55 2c8u h LEU 199 Cb 0.30 -0.22 -0.06 0.00 0.37 0.00 0.00 40.66 41.06 2c8u h LEU 199 CO -0.26 1.07 0.09 0.00 -0.34 0.00 0.00 178.44 179.00 2c8u h ALA 200 N 0.97 0.45 0.27 1.25 0.00 -0.58 0.17 119.26 121.78 2c8u h ALA 200 Ca 0.05 0.08 -0.01 0.00 0.00 0.00 0.00 54.91 55.03 2c8u h ALA 200 Cb 0.92 0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.81 2c8u h ALA 200 CO 0.08 -0.31 -0.13 -0.22 0.00 0.00 0.00 179.25 178.67 2c8u h LYS 201 N 0.22 -0.35 -0.60 0.00 1.63 -0.09 -2.00 116.57 115.38 2c8u h LYS 201 Ca 0.20 0.02 0.06 0.00 -0.85 0.00 0.00 60.65 60.09 2c8u h LYS 201 Cb 0.24 0.08 -0.06 0.00 -0.60 0.00 0.00 32.23 31.89 2c8u h LYS 201 CO -0.26 -0.17 0.30 -0.92 -3.45 0.00 0.00 179.45 174.96 2c8u h TYR 202 N -0.45 0.55 -0.01 1.91 5.03 -0.91 -1.27 116.97 121.83 2c8u h TYR 202 Ca -0.04 0.02 -0.12 0.00 2.58 0.00 0.00 58.73 61.18 2c8u h TYR 202 Cb 0.34 -0.16 -0.02 0.00 1.55 0.00 0.00 36.73 38.44 2c8u h TYR 202 CO -0.03 0.24 -0.56 -0.07 -1.32 0.00 0.00 178.16 176.42 2c8u h LEU 203 N 0.56 0.02 -0.12 2.82 3.38 -0.65 -3.08 115.31 118.24 2c8u h LEU 203 Ca 0.28 -0.01 -0.04 0.00 0.09 0.00 0.00 57.88 58.20 2c8u h LEU 203 Cb 0.22 -0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.96 2c8u h LEU 203 CO -0.20 0.57 -0.08 0.28 0.09 0.00 0.00 178.44 179.10 2c8u h SER 204 N 0.01 0.28 0.00 -0.43 0.02 -0.91 -3.51 113.55 109.01 2c8u h SER 204 Ca -0.01 -0.44 0.00 0.00 -0.84 0.00 0.00 61.79 60.51 2c8u h SER 204 Cb 0.99 -0.08 0.00 0.00 0.14 0.00 0.00 62.40 63.45 2c8u h SER 204 CO 0.07 0.66 0.00 0.47 -1.14 0.00 0.00 176.83 176.89