#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2caq s HIS 5 N 0.00 3.46 -0.25 1.24 2.46 0.79 -4.94 115.29 118.06 2caq s HIS 5 Ca 0.00 1.04 -0.04 0.00 0.47 0.00 0.00 55.06 56.53 2caq s HIS 5 Cb 0.00 -2.77 0.01 0.00 -0.13 0.00 0.00 32.58 29.69 2caq s HIS 5 CO 0.00 -0.04 -0.01 0.42 -2.47 0.00 0.00 174.74 172.64 2caq s ILE 6 N 1.36 3.42 -0.23 0.89 1.01 -1.26 -1.09 121.20 125.29 2caq s ILE 6 Ca 0.31 -0.69 -0.05 0.00 0.00 0.00 0.00 60.65 60.22 2caq s ILE 6 Cb -0.16 -2.67 -0.02 0.00 0.01 0.00 0.00 42.46 39.62 2caq s ILE 6 CO 0.13 0.26 -0.00 -0.75 0.00 0.00 0.00 174.94 174.58 2caq s LYS 7 N 1.44 3.49 -0.26 2.79 2.20 -0.12 0.11 119.74 129.38 2caq s LYS 7 Ca 0.03 -0.57 -0.11 0.00 -0.36 0.00 0.00 55.97 54.97 2caq s LYS 7 Cb -0.16 -3.12 -0.05 0.00 -1.51 0.00 0.00 37.83 32.99 2caq s LYS 7 CO -0.02 -0.19 0.17 0.08 -0.36 0.00 0.00 175.35 175.04 2caq s VAL 8 N 1.51 5.30 -0.22 4.02 1.01 0.16 -1.10 120.40 131.08 2caq s VAL 8 Ca 0.06 0.16 -0.03 0.00 0.00 0.00 0.00 61.98 62.17 2caq s VAL 8 Cb -0.15 -3.50 -0.01 0.00 0.00 0.00 0.00 36.38 32.73 2caq s VAL 8 CO -0.01 0.29 -0.05 -0.63 0.00 0.00 0.00 175.10 174.70 2caq s ILE 9 N 1.45 3.28 0.29 2.22 1.01 0.42 -0.25 121.20 129.61 2caq s ILE 9 Ca 0.07 -0.53 -0.12 0.00 0.00 0.00 0.00 60.65 60.07 2caq s ILE 9 Cb -0.15 -2.49 0.01 0.00 0.01 0.00 0.00 42.46 39.84 2caq s ILE 9 CO 0.08 0.43 0.55 -0.47 0.00 0.00 0.00 174.94 175.52 2caq s TYR 10 N 1.46 0.41 0.67 3.97 5.04 -0.59 -1.40 117.35 126.92 2caq s TYR 10 Ca 0.06 -0.80 -0.11 0.00 -2.44 0.00 0.00 57.07 53.77 2caq s TYR 10 Cb -0.14 0.28 -0.00 0.00 0.35 0.00 0.00 41.96 42.45 2caq s TYR 10 CO -0.04 -1.13 1.06 -0.06 -1.34 0.00 0.00 175.55 174.04 2caq s PHE 11 N -3.57 3.42 -0.54 4.97 0.40 -1.26 -0.36 117.98 121.04 2caq s PHE 11 Ca 0.22 1.11 -0.27 0.00 -0.60 0.00 0.00 56.93 57.39 2caq s PHE 11 Cb -0.02 -2.93 -0.02 0.00 0.51 0.00 0.00 43.02 40.55 2caq s PHE 11 CO 0.11 -0.99 1.89 1.21 0.70 0.00 0.00 175.22 178.14 2caq s ASN 12 N -4.30 5.33 0.00 1.36 2.47 -1.24 -4.74 114.94 113.82 2caq s ASN 12 Ca 0.57 0.60 0.00 0.00 0.42 0.00 0.00 52.86 54.44 2caq s ASN 12 Cb -0.11 -2.53 0.00 0.00 -1.45 0.00 0.00 41.25 37.16 2caq s ASN 12 CO 0.52 -2.28 0.00 0.61 -3.72 0.00 0.00 177.10 172.23 2caq n GLY 13 N 5.67 1.23 3.43 1.21 0.00 -1.26 -5.01 105.19 110.46 2caq n GLY 13 Ca 0.22 -1.44 -0.44 0.00 0.00 0.00 0.00 46.02 44.36 2caq n GLY 13 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2caq s ARG 14 N -1.82 3.26 0.00 1.61 3.03 -1.26 -4.84 118.95 118.93 2caq s ARG 14 Ca 0.00 -1.28 0.00 0.00 2.03 0.00 0.00 55.73 56.48 2caq s ARG 14 Cb 0.00 -4.46 0.00 0.00 -1.03 0.00 0.00 34.95 29.46 2caq s ARG 14 CO 0.00 -1.73 0.00 0.41 -1.13 0.00 0.00 175.30 172.85 2caq n GLY 15 N 5.34 2.87 0.24 3.88 0.00 -1.26 -4.96 105.19 111.30 2caq n GLY 15 Ca 0.04 -0.21 0.10 0.00 0.00 0.00 0.00 46.02 45.96 2caq n GLY 15 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2caq h ARG 16 N 0.00 0.00 0.00 1.61 2.47 -1.95 -2.82 114.38 113.69 2caq h ARG 16 Ca 0.00 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.72 2caq h ARG 16 Cb 0.00 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.32 2caq h ARG 16 CO 0.00 0.18 0.00 0.00 0.56 0.00 0.00 179.97 180.71 2caq h ALA 17 N 1.82 1.00 -0.81 0.04 0.00 -1.94 -3.33 119.26 116.04 2caq h ALA 17 Ca -0.00 0.00 0.06 0.00 0.00 0.00 0.00 54.91 54.97 2caq h ALA 17 Cb 0.43 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 18.17 2caq h ALA 17 CO 0.02 0.00 0.53 0.93 0.00 0.00 0.00 179.25 180.74 2caq h GLU 18 N 0.00 0.88 -0.86 0.00 5.08 -1.82 -1.29 114.58 116.57 2caq h GLU 18 Ca 0.00 -0.05 -0.01 0.00 -1.00 0.00 0.00 59.36 58.30 2caq h GLU 18 Cb 0.55 -0.20 -0.04 0.00 0.50 0.00 0.00 28.75 29.56 2caq h GLU 18 CO 0.00 0.58 0.49 0.66 -1.00 0.00 0.00 179.01 179.75 2caq h SER 19 N 0.91 1.06 0.23 1.42 4.64 -1.82 -0.25 113.55 119.75 2caq h SER 19 Ca 0.35 -0.09 -0.01 0.00 -0.47 0.00 0.00 61.79 61.57 2caq h SER 19 Cb 0.20 -0.27 0.00 0.00 -0.31 0.00 0.00 62.40 62.02 2caq h SER 19 CO -0.12 0.84 -0.11 0.40 -0.87 0.00 0.00 176.83 176.96 2caq h ILE 20 N 1.19 0.84 -0.11 0.95 2.04 -1.54 -1.99 117.51 118.89 2caq h ILE 20 Ca 0.31 -0.54 0.04 0.00 1.00 0.00 0.00 64.86 65.67 2caq h ILE 20 Cb -0.01 1.15 -0.04 0.00 -0.74 0.00 0.00 36.82 37.18 2caq h ILE 20 CO -0.05 0.12 -0.15 -0.07 0.00 0.00 0.00 178.15 177.99 2caq h LEU 21 N -0.59 -0.48 -1.12 1.44 4.07 -1.14 -1.84 115.31 115.65 2caq h LEU 21 Ca -0.03 0.09 -0.05 0.00 0.08 0.00 0.00 57.88 57.96 2caq h LEU 21 Cb 0.43 0.22 -0.02 0.00 1.08 0.00 0.00 40.66 42.37 2caq h LEU 21 CO 0.05 -0.20 0.08 0.24 -1.08 0.00 0.00 178.44 177.53 2caq h MET 22 N -0.20 0.70 0.09 1.13 2.86 -1.10 -1.00 114.93 117.40 2caq h MET 22 Ca 0.09 -0.14 -0.00 0.00 -2.06 0.00 0.00 59.70 57.58 2caq h MET 22 Cb 0.33 -0.11 0.00 0.00 0.06 0.00 0.00 31.60 31.88 2caq h MET 22 CO -0.23 0.66 -0.04 1.15 1.06 0.00 0.00 176.91 179.51 2caq h THR 23 N 0.68 0.97 -0.37 2.22 2.02 -0.93 0.24 112.91 117.73 2caq h THR 23 Ca 0.15 -0.19 0.01 0.00 0.77 0.00 0.00 66.41 67.15 2caq h THR 23 Cb 0.30 1.09 -0.02 0.00 -1.74 0.00 0.00 68.15 67.78 2caq h THR 23 CO 0.00 0.05 0.24 -0.07 0.37 0.00 0.00 175.52 176.10 2caq h LEU 24 N -0.20 0.40 0.12 2.58 3.38 -1.16 -1.17 115.31 119.25 2caq h LEU 24 Ca -0.01 -0.01 0.02 0.00 0.09 0.00 0.00 57.88 57.97 2caq h LEU 24 Cb 0.17 -0.10 -0.03 0.00 0.09 0.00 0.00 40.66 40.79 2caq h LEU 24 CO 0.02 0.29 -0.27 0.58 0.09 0.00 0.00 178.44 179.15 2caq h VAL 25 N 0.48 0.42 -0.32 1.22 2.07 -1.13 0.19 116.25 119.18 2caq h VAL 25 Ca 0.14 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.64 2caq h VAL 25 Cb -0.04 0.42 -0.02 0.00 -1.52 0.00 0.00 31.29 30.13 2caq h VAL 25 CO -0.04 0.00 0.13 0.00 0.02 0.00 0.00 177.57 177.68 2caq h ALA 26 N 0.25 1.64 -0.00 1.67 0.00 -0.82 -1.70 119.26 120.30 2caq h ALA 26 Ca 0.03 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.85 2caq h ALA 26 Cb 0.50 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.16 2caq h ALA 26 CO -0.15 0.29 -0.13 0.00 0.00 0.00 0.00 179.25 179.26 2caq n ALA 27 N -2.48 2.72 -2.26 0.00 0.00 -0.45 -4.93 120.51 113.09 2caq n ALA 27 Ca 0.02 -0.20 -0.08 0.00 0.00 0.00 0.00 53.44 53.17 2caq n ALA 27 Cb 0.13 -1.36 0.00 0.00 0.00 0.00 0.00 19.45 18.22 2caq n ALA 27 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2caq n GLY 28 N 1.40 0.11 3.65 0.00 0.00 -0.27 -5.03 105.19 105.06 2caq n GLY 28 Ca 0.10 -0.53 -0.38 0.00 0.00 0.00 0.00 46.02 45.21 2caq n GLY 28 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2caq s VAL 29 N -2.49 5.27 0.47 1.61 1.01 0.49 -5.02 120.40 121.74 2caq s VAL 29 Ca 0.03 0.44 -0.23 0.00 0.00 0.00 0.00 61.98 62.22 2caq s VAL 29 Cb -0.01 -3.62 -0.07 0.00 0.00 0.00 0.00 36.38 32.68 2caq s VAL 29 CO 0.04 0.28 1.25 0.20 0.00 0.00 0.00 175.10 176.86 2caq s ASN 30 N 1.17 5.95 0.14 3.32 0.01 -1.26 -4.41 114.94 119.86 2caq s ASN 30 Ca 0.13 2.50 -0.20 0.00 -0.71 0.00 0.00 52.86 54.59 2caq s ASN 30 Cb -0.14 -2.62 0.05 0.00 0.41 0.00 0.00 41.25 38.95 2caq s ASN 30 CO 0.07 -1.08 0.50 -0.72 -1.51 0.00 0.00 177.10 174.36 2caq s TYR 31 N -1.42 -0.37 -0.20 2.20 -0.85 -1.26 -4.56 117.35 110.89 2caq s TYR 31 Ca 0.64 0.11 -0.11 0.00 -0.52 0.00 0.00 57.07 57.19 2caq s TYR 31 Cb -0.34 0.41 -0.05 0.00 0.38 0.00 0.00 41.96 42.36 2caq s TYR 31 CO 0.41 -0.77 0.19 -2.00 -1.52 0.00 0.00 175.55 171.85 2caq s GLU 32 N -3.76 4.18 -0.06 -3.49 2.12 0.12 -5.00 118.70 112.80 2caq s GLU 32 Ca 0.02 -0.14 -0.26 0.00 0.36 0.00 0.00 54.97 54.95 2caq s GLU 32 Cb 0.00 -3.45 -0.03 0.00 0.26 0.00 0.00 34.13 30.91 2caq s GLU 32 CO -0.12 0.22 0.80 -0.51 -0.54 0.00 0.00 175.26 175.11 2caq s ASP 33 N 0.55 7.09 -0.30 -1.70 1.11 -1.26 -0.66 116.67 121.50 2caq s ASP 33 Ca 0.10 1.32 0.02 0.00 0.18 0.00 0.00 52.55 54.18 2caq s ASP 33 Cb -0.12 -2.46 0.09 0.00 1.07 0.00 0.00 42.92 41.49 2caq s ASP 33 CO 0.01 -0.20 0.02 -0.70 1.18 0.00 0.00 175.17 175.48 2caq s GLU 34 N 1.07 1.41 -0.14 8.23 2.12 0.65 -4.93 118.70 127.11 2caq s GLU 34 Ca 0.42 -1.42 -0.18 0.00 0.36 0.00 0.00 54.97 54.15 2caq s GLU 34 Cb -0.18 -2.74 -0.04 0.00 0.26 0.00 0.00 34.13 31.42 2caq s GLU 34 CO 0.20 -0.83 0.50 1.03 -0.54 0.00 0.00 175.26 175.62 2caq s ARG 35 N 1.21 4.29 -0.19 4.30 0.52 -1.26 -1.54 118.95 126.28 2caq s ARG 35 Ca 0.04 0.45 -0.08 0.00 -0.52 0.00 0.00 55.73 55.62 2caq s ARG 35 Cb -0.19 -3.48 -0.04 0.00 0.52 0.00 0.00 34.95 31.76 2caq s ARG 35 CO -0.11 0.05 0.08 0.42 0.02 0.00 0.00 175.30 175.76 2caq s ILE 36 N 0.97 4.86 0.51 1.52 -1.09 0.52 -4.93 121.20 123.56 2caq s ILE 36 Ca 0.26 -0.01 -0.18 0.00 -2.23 0.00 0.00 60.65 58.49 2caq s ILE 36 Cb -0.15 -3.21 -0.08 0.00 -1.58 0.00 0.00 42.46 37.44 2caq s ILE 36 CO 0.10 0.44 0.99 -0.94 -1.23 0.00 0.00 174.94 174.30 2caq s SER 37 N 0.54 6.55 0.30 3.58 1.04 -1.26 -3.66 113.70 120.79 2caq s SER 37 Ca 0.04 1.65 0.06 0.00 0.48 0.00 0.00 55.95 58.18 2caq s SER 37 Cb -0.13 -2.52 0.75 0.00 0.10 0.00 0.00 66.02 64.22 2caq s SER 37 CO 0.01 -0.63 1.76 2.19 0.98 0.00 0.00 173.24 177.54 2caq h PHE 38 N 1.08 1.00 -0.10 5.02 -0.00 -2.00 -1.95 116.94 119.99 2caq h PHE 38 Ca -0.47 0.04 -0.14 0.00 -0.00 0.00 0.00 57.97 57.39 2caq h PHE 38 Cb 1.19 -0.29 -0.01 0.00 -0.00 0.00 0.00 35.95 36.83 2caq h PHE 38 CO 0.62 0.17 -0.53 -0.56 -0.00 0.00 0.00 178.31 178.01 2caq h GLN 39 N 0.69 0.30 0.00 6.09 3.07 -2.05 -3.16 115.11 120.04 2caq h GLN 39 Ca 0.58 -0.18 0.00 0.00 0.09 0.00 0.00 58.65 59.14 2caq h GLN 39 Cb 0.96 0.02 0.00 0.00 0.08 0.00 0.00 27.48 28.54 2caq h GLN 39 CO -0.41 0.76 -0.40 -0.25 0.09 0.00 0.00 178.83 178.61 2caq n ASP 40 N -3.93 0.63 0.03 0.06 9.92 -0.79 -4.41 116.55 118.06 2caq n ASP 40 Ca -0.02 0.21 -0.10 0.00 -0.53 0.00 0.00 54.79 54.34 2caq n ASP 40 Cb 0.57 -0.11 -0.04 0.00 -0.64 0.00 0.00 41.12 40.90 2caq n ASP 40 CO 0.00 0.00 0.00 -0.25 0.13 0.00 0.00 177.20 177.08 2caq h TRP 41 N 0.00 -0.30 -0.96 1.24 -0.00 -1.37 -2.73 115.95 111.83 2caq h TRP 41 Ca 0.00 0.01 0.25 0.00 -0.00 0.00 0.00 58.89 59.15 2caq h TRP 41 Cb 0.68 0.14 -0.13 0.00 -0.00 0.00 0.00 29.16 29.86 2caq h TRP 41 CO 0.00 -0.18 0.51 -1.35 -0.00 0.00 0.00 178.44 177.42 2caq h PRO 42 N -0.18 0.44 -0.34 2.65 0.11 -1.79 0.25 132.00 133.15 2caq h PRO 42 Ca 0.06 -0.03 -0.11 0.00 0.11 0.00 0.00 66.00 66.03 2caq h PRO 42 Cb 0.26 -0.10 -0.01 0.00 0.11 0.00 0.00 31.00 31.26 2caq h PRO 42 CO -0.16 0.29 -0.22 -0.22 -0.21 0.00 0.00 178.00 177.49 2caq h LYS 43 N 0.46 0.75 0.04 1.05 3.64 -1.79 -3.31 116.57 117.40 2caq h LYS 43 Ca 0.63 -0.35 -0.23 0.00 -1.27 0.00 0.00 60.65 59.42 2caq h LYS 43 Cb 1.24 -0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 33.04 2caq h LYS 43 CO -0.53 0.97 -1.09 0.82 -2.27 0.00 0.00 179.45 177.35 2caq h ILE 44 N 0.52 1.64 -0.82 2.00 2.04 -0.93 -3.37 117.51 118.59 2caq h ILE 44 Ca 0.07 -3.30 0.20 0.00 1.00 0.00 0.00 64.86 62.83 2caq h ILE 44 Cb 0.77 2.88 -0.14 0.00 -0.74 0.00 0.00 36.82 39.59 2caq h ILE 44 CO 0.06 0.95 0.10 0.50 0.00 0.00 0.00 178.15 179.75 2caq h LYS 45 N 0.02 0.14 0.00 2.37 3.64 -0.67 0.23 116.57 122.30 2caq h LYS 45 Ca -0.05 -0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.30 2caq h LYS 45 Cb 1.84 -0.03 -0.00 0.00 -0.41 0.00 0.00 32.23 33.63 2caq h LYS 45 CO 0.15 0.09 -0.07 -1.00 -2.27 0.00 0.00 179.45 176.36 2caq h PRO 46 N 0.14 0.00 0.00 1.90 0.13 -1.77 -2.80 132.00 129.60 2caq h PRO 46 Ca 0.48 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.61 2caq h PRO 46 Cb 0.90 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.03 2caq h PRO 46 CO -0.68 0.07 -0.13 0.25 -0.23 0.00 0.00 178.00 177.28 2caq n THR 47 N -3.28 0.49 -3.13 1.56 -2.24 0.06 -4.74 114.28 103.00 2caq n THR 47 Ca -0.01 -0.25 -0.41 0.00 -2.27 0.00 0.00 64.05 61.10 2caq n THR 47 Cb 0.26 -0.47 -0.07 0.00 -2.10 0.00 0.00 70.33 67.95 2caq n THR 47 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 2caq s ILE 48 N -3.10 4.93 -0.25 2.28 -1.09 -1.06 -5.02 121.20 117.90 2caq s ILE 48 Ca 0.10 0.68 -0.36 0.00 -2.23 0.00 0.00 60.65 58.84 2caq s ILE 48 Cb 0.13 -4.02 -0.13 0.00 -1.58 0.00 0.00 42.46 36.86 2caq s ILE 48 CO 0.62 -0.22 1.95 -2.65 -1.23 0.00 0.00 174.94 173.41 2caq n PRO 49 N 5.93 1.46 0.00 2.79 -0.02 -1.26 0.05 135.00 143.94 2caq n PRO 49 Ca -0.02 0.49 0.00 0.00 -2.02 0.00 0.00 63.50 61.96 2caq n PRO 49 Cb 0.49 -2.42 0.00 0.00 -0.02 0.00 0.00 33.50 31.55 2caq n PRO 49 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2caq n GLY 50 N 5.12 1.13 2.46 -1.23 0.00 -1.26 -4.56 105.19 106.85 2caq n GLY 50 Ca 0.31 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 46.14 2caq n GLY 50 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2caq n GLY 51 N -2.00 0.82 3.01 -0.02 0.00 0.11 -4.99 105.19 102.13 2caq n GLY 51 Ca 0.00 -0.11 -0.09 0.00 0.00 0.00 0.00 46.02 45.82 2caq n GLY 51 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2caq s ARG 52 N -4.19 0.40 0.22 1.61 1.81 -1.26 -4.98 118.95 112.56 2caq s ARG 52 Ca 0.00 -0.76 0.09 0.00 -1.72 0.00 0.00 55.73 53.34 2caq s ARG 52 Cb 0.00 0.07 -0.04 0.00 -0.45 0.00 0.00 34.95 34.53 2caq s ARG 52 CO 0.00 -0.05 -0.02 -0.51 -0.68 0.00 0.00 175.30 174.04 2caq s LEU 53 N -1.78 3.18 0.57 2.53 1.43 -1.26 -4.36 118.68 118.99 2caq s LEU 53 Ca -0.10 -0.55 -0.20 0.00 -1.03 0.00 0.00 54.13 52.25 2caq s LEU 53 Cb -0.06 -1.79 -0.04 0.00 0.03 0.00 0.00 46.19 44.33 2caq s LEU 53 CO -0.03 0.05 1.23 -2.84 0.23 0.00 0.00 176.35 175.00 2caq s PRO 54 N -3.24 3.08 0.03 1.29 0.02 -1.26 -5.00 135.00 129.92 2caq s PRO 54 Ca 0.29 1.90 0.03 0.00 0.02 0.00 0.00 61.00 63.23 2caq s PRO 54 Cb -0.08 -2.04 -0.02 0.00 0.02 0.00 0.00 34.50 32.39 2caq s PRO 54 CO 0.18 -1.14 -0.08 0.00 -0.33 0.00 0.00 177.00 175.64 2caq s ALA 55 N -1.53 0.65 -0.14 -1.55 0.00 -0.49 -4.18 121.76 114.53 2caq s ALA 55 Ca 0.75 -0.61 0.02 0.00 0.00 0.00 0.00 51.96 52.13 2caq s ALA 55 Cb -0.32 -0.05 0.01 0.00 0.00 0.00 0.00 23.12 22.75 2caq s ALA 55 CO 0.36 0.07 -0.21 0.08 0.00 0.00 0.00 175.76 176.05 2caq s VAL 56 N -0.87 2.14 -0.28 0.00 1.01 0.12 -0.44 120.40 122.08 2caq s VAL 56 Ca -0.04 -0.96 -0.06 0.00 0.00 0.00 0.00 61.98 60.92 2caq s VAL 56 Cb -0.07 -1.85 0.01 0.00 0.00 0.00 0.00 36.38 34.46 2caq s VAL 56 CO 0.00 0.55 0.05 -0.75 0.00 0.00 0.00 175.10 174.95 2caq s LYS 57 N 0.73 3.15 -0.20 2.72 2.20 -0.26 -0.46 119.74 127.63 2caq s LYS 57 Ca -0.09 -0.81 -0.05 0.00 -0.36 0.00 0.00 55.97 54.67 2caq s LYS 57 Cb -0.16 -3.27 -0.02 0.00 -1.51 0.00 0.00 37.83 32.86 2caq s LYS 57 CO 0.00 -0.38 -0.01 0.42 -0.36 0.00 0.00 175.35 175.02 2caq s ILE 58 N 1.49 3.87 -0.12 5.43 1.01 0.69 -0.94 121.20 132.62 2caq s ILE 58 Ca 0.03 -0.34 0.02 0.00 0.00 0.00 0.00 60.65 60.36 2caq s ILE 58 Cb -0.17 -2.74 0.01 0.00 0.01 0.00 0.00 42.46 39.57 2caq s ILE 58 CO 0.01 0.44 -0.17 0.42 0.00 0.00 0.00 174.94 175.64 2caq s THR 59 N 0.97 1.66 0.68 2.92 -4.23 -0.25 -0.19 115.64 117.20 2caq s THR 59 Ca 0.01 -0.73 0.04 0.00 -1.18 0.00 0.00 61.69 59.83 2caq s THR 59 Cb -0.14 -1.50 0.13 0.00 1.34 0.00 0.00 72.50 72.32 2caq s THR 59 CO 0.02 0.47 0.94 1.51 -0.54 0.00 0.00 174.62 177.01 2caq s ASP 60 N 0.97 4.56 -0.01 3.99 1.47 -0.88 -0.15 116.67 126.62 2caq s ASP 60 Ca -0.06 -0.70 0.05 0.00 1.18 0.00 0.00 52.55 53.02 2caq s ASP 60 Cb -0.15 0.34 0.16 0.00 -0.34 0.00 0.00 42.92 42.93 2caq s ASP 60 CO -0.02 -1.74 1.07 -0.46 0.68 0.00 0.00 175.17 174.70 2caq n ASN 61 N -2.63 1.12 -0.44 2.11 6.94 -1.26 -3.14 115.26 117.95 2caq n ASN 61 Ca 0.17 -2.04 0.07 0.00 -0.02 0.00 0.00 54.58 52.76 2caq n ASN 61 Cb 0.61 -0.19 0.15 0.00 -2.36 0.00 0.00 39.78 38.00 2caq n ASN 61 CO 0.00 0.00 0.00 1.41 -1.03 0.00 0.00 177.26 177.64 2caq n HIS 62 N 0.03 0.00 -0.87 -2.53 8.25 -1.26 -5.00 115.22 113.84 2caq n HIS 62 Ca 0.06 -1.10 0.00 0.00 -0.26 0.00 0.00 57.72 56.42 2caq n HIS 62 Cb 0.20 -0.19 0.00 0.00 1.12 0.00 0.00 29.99 31.12 2caq n HIS 62 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2caq n GLY 63 N -1.04 0.97 3.75 -1.41 0.00 -1.19 -5.02 105.19 101.26 2caq n GLY 63 Ca 0.15 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.77 2caq n GLY 63 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2caq s HIS 64 N -3.76 3.52 -0.14 1.61 3.76 -1.26 -4.89 115.29 114.13 2caq s HIS 64 Ca 0.00 1.63 0.01 0.00 -0.15 0.00 0.00 55.06 56.55 2caq s HIS 64 Cb 0.00 -3.33 0.02 0.00 1.11 0.00 0.00 32.58 30.37 2caq s HIS 64 CO 0.00 -0.75 -0.16 0.08 -0.85 0.00 0.00 174.74 173.06 2caq s VAL 65 N -0.93 1.70 -0.17 -0.90 1.01 -1.26 -2.07 120.40 117.78 2caq s VAL 65 Ca 0.46 -0.73 -0.00 0.00 0.00 0.00 0.00 61.98 61.71 2caq s VAL 65 Cb -0.32 -1.56 -0.00 0.00 0.00 0.00 0.00 36.38 34.50 2caq s VAL 65 CO 0.41 0.48 -0.14 -0.75 0.00 0.00 0.00 175.10 175.10 2caq s LYS 66 N 1.26 3.22 -0.15 2.72 2.20 0.74 -4.98 119.74 124.75 2caq s LYS 66 Ca 0.01 -0.74 -0.07 0.00 -0.36 0.00 0.00 55.97 54.81 2caq s LYS 66 Cb -0.14 -2.67 -0.04 0.00 -1.51 0.00 0.00 37.83 33.47 2caq s LYS 66 CO -0.08 -0.03 0.09 -1.58 -0.36 0.00 0.00 175.35 173.40 2caq s TRP 67 N 0.93 3.39 -0.01 4.03 0.52 -1.26 -0.22 118.94 126.32 2caq s TRP 67 Ca -0.03 0.30 0.05 0.00 0.02 0.00 0.00 56.10 56.44 2caq s TRP 67 Cb -0.15 -2.01 -0.01 0.00 -1.15 0.00 0.00 33.47 30.15 2caq s TRP 67 CO -0.02 0.43 -0.15 -1.64 0.02 0.00 0.00 176.95 175.60 2caq s MET 68 N -0.30 1.20 0.35 4.98 -1.94 0.39 -4.99 119.30 119.00 2caq s MET 68 Ca 0.10 -0.53 0.03 0.00 -1.71 0.00 0.00 55.69 53.58 2caq s MET 68 Cb -0.12 -1.16 -0.04 0.00 2.01 0.00 0.00 34.83 35.52 2caq s MET 68 CO 0.01 0.32 0.10 0.14 -0.01 0.00 0.00 175.02 175.58 2caq s VAL 69 N -0.34 0.79 -0.09 -6.03 -7.23 -1.26 -0.71 120.40 105.54 2caq s VAL 69 Ca 0.06 -2.00 -0.02 0.00 -1.81 0.00 0.00 61.98 58.20 2caq s VAL 69 Cb -0.06 -2.55 0.01 0.00 0.56 0.00 0.00 36.38 34.34 2caq s VAL 69 CO -0.01 0.00 0.05 1.21 -0.31 0.00 0.00 175.10 176.04 2caq n GLU 70 N -0.76 -1.41 -0.17 4.82 4.07 -1.26 -4.44 120.64 121.49 2caq n GLU 70 Ca -0.04 1.42 -0.02 0.00 -0.06 0.00 0.00 57.16 58.46 2caq n GLU 70 Cb 0.66 -2.46 0.05 0.00 -0.06 0.00 0.00 31.44 29.62 2caq n GLU 70 CO 0.00 0.00 0.00 0.66 -0.06 0.00 0.00 177.13 177.73 2caq h SER 71 N 1.24 -0.46 1.69 4.31 4.64 -1.88 -1.34 113.55 121.75 2caq h SER 71 Ca -0.10 0.16 -0.03 0.00 -0.47 0.00 0.00 61.79 61.34 2caq h SER 71 Cb 0.23 0.32 -0.00 0.00 -0.31 0.00 0.00 62.40 62.63 2caq h SER 71 CO 0.02 -0.16 -0.14 -0.07 -0.87 0.00 0.00 176.83 175.60 2caq h LEU 72 N 0.01 0.00 -0.35 5.97 3.38 -1.92 -0.69 115.31 121.71 2caq h LEU 72 Ca 0.26 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 58.09 2caq h LEU 72 Cb 0.40 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.14 2caq h LEU 72 CO -0.53 0.14 -0.33 0.00 0.09 0.00 0.00 178.44 177.81 2caq h ALA 73 N 1.86 0.52 -0.10 1.53 0.00 -1.59 -0.38 119.26 121.09 2caq h ALA 73 Ca -0.00 -0.43 -0.00 0.00 0.00 0.00 0.00 54.91 54.48 2caq h ALA 73 Cb 1.02 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.70 2caq h ALA 73 CO 0.02 0.57 0.05 0.82 0.00 0.00 0.00 179.25 180.71 2caq h ILE 74 N 0.64 1.09 -0.75 0.00 2.04 -1.13 -1.56 117.51 117.84 2caq h ILE 74 Ca 0.06 -0.26 0.00 0.00 1.00 0.00 0.00 64.86 65.66 2caq h ILE 74 Cb 0.91 1.09 -0.04 0.00 -0.74 0.00 0.00 36.82 38.04 2caq h ILE 74 CO 0.08 0.08 0.47 0.00 0.00 0.00 0.00 178.15 178.78 2caq h ALA 75 N 0.95 0.95 -0.41 1.87 0.00 -1.08 -1.12 119.26 120.43 2caq h ALA 75 Ca 0.03 -0.07 -0.03 0.00 0.00 0.00 0.00 54.91 54.84 2caq h ALA 75 Cb 0.08 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.56 2caq h ALA 75 CO -0.01 0.40 0.14 0.00 0.00 0.00 0.00 179.25 179.78 2caq h ARG 76 N 1.02 0.63 -0.05 0.00 3.08 -1.02 0.82 114.38 118.85 2caq h ARG 76 Ca 0.27 -0.13 0.03 0.00 0.07 0.00 0.00 59.98 60.22 2caq h ARG 76 Cb -0.07 -0.09 -0.04 0.00 0.08 0.00 0.00 29.97 29.85 2caq h ARG 76 CO -0.05 0.62 -0.14 -0.92 -1.07 0.00 0.00 179.97 178.40 2caq h TYR 77 N 0.51 -0.37 -0.57 3.04 5.03 -0.90 0.10 116.97 123.83 2caq h TYR 77 Ca 0.13 0.02 -0.05 0.00 2.58 0.00 0.00 58.73 61.41 2caq h TYR 77 Cb 0.24 0.17 -0.02 0.00 1.55 0.00 0.00 36.73 38.67 2caq h TYR 77 CO 0.01 -0.21 0.16 0.52 -1.32 0.00 0.00 178.16 177.31 2caq h MET 78 N -0.21 0.90 -0.47 1.82 2.86 -1.12 -1.78 114.93 116.93 2caq h MET 78 Ca 0.07 -0.21 0.00 0.00 -2.06 0.00 0.00 59.70 57.50 2caq h MET 78 Cb 0.30 -0.12 -0.02 0.00 0.06 0.00 0.00 31.60 31.82 2caq h MET 78 CO -0.18 0.83 0.30 0.00 1.06 0.00 0.00 176.91 178.93 2caq h ALA 79 N 1.03 0.60 -0.38 6.32 0.00 -0.64 -2.09 119.26 124.09 2caq h ALA 79 Ca 0.18 -0.04 0.01 0.00 0.00 0.00 0.00 54.91 55.06 2caq h ALA 79 Cb 0.32 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 2caq h ALA 79 CO -0.00 0.06 0.25 -0.22 0.00 0.00 0.00 179.25 179.33 2caq h LYS 80 N 0.63 0.49 -0.80 0.00 3.64 -0.65 0.36 116.57 120.25 2caq h LYS 80 Ca 0.17 -0.03 0.16 0.00 -1.27 0.00 0.00 60.65 59.69 2caq h LYS 80 Cb -0.06 -0.11 -0.05 0.00 -0.41 0.00 0.00 32.23 31.60 2caq h LYS 80 CO -0.04 0.33 0.53 -0.22 -2.27 0.00 0.00 179.45 177.78 2caq h LYS 81 N 0.51 0.40 -0.38 1.90 3.64 -1.11 -2.39 116.57 119.13 2caq h LYS 81 Ca 0.14 -0.02 -0.12 0.00 -1.27 0.00 0.00 60.65 59.38 2caq h LYS 81 Cb -0.05 -0.09 -0.07 0.00 -0.41 0.00 0.00 32.23 31.61 2caq h LYS 81 CO -0.04 0.26 0.03 0.72 -2.27 0.00 0.00 179.45 178.16 2caq n HIS 82 N -4.48 1.26 -3.62 1.91 8.25 -0.81 -4.96 115.22 112.76 2caq n HIS 82 Ca 0.16 -1.25 -0.22 0.00 -0.26 0.00 0.00 57.72 56.14 2caq n HIS 82 Cb 0.58 -0.46 0.06 0.00 1.12 0.00 0.00 29.99 31.30 2caq n HIS 82 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 2caq n HIS 83 N -0.76 -2.36 -0.90 4.41 8.25 -0.64 -4.92 115.22 118.30 2caq n HIS 83 Ca 0.30 0.94 0.08 0.00 -0.26 0.00 0.00 57.72 58.78 2caq n HIS 83 Cb 1.04 -4.74 0.14 0.00 1.12 0.00 0.00 29.99 27.55 2caq n HIS 83 CO 0.00 0.00 0.00 -1.33 0.64 0.00 0.00 176.34 175.65 2caq n MET 84 N -4.52 1.75 -0.20 -0.41 2.81 0.12 -4.60 117.12 112.08 2caq n MET 84 Ca -0.15 -2.46 0.06 0.00 -1.81 0.00 0.00 57.70 53.35 2caq n MET 84 Cb 0.61 -1.47 0.15 0.00 -0.71 0.00 0.00 33.22 31.80 2caq n MET 84 CO 0.00 0.00 0.00 -1.33 1.51 0.00 0.00 175.97 176.15 2caq n MET 85 N -1.15 2.53 0.00 0.03 2.81 -1.25 -1.05 117.12 119.04 2caq n MET 85 Ca 0.14 -2.31 0.00 0.00 -1.81 0.00 0.00 57.70 53.73 2caq n MET 85 Cb 0.61 -1.45 0.00 0.00 -0.71 0.00 0.00 33.22 31.68 2caq n MET 85 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2caq n GLY 86 N -0.48 2.37 0.00 3.03 0.00 -1.26 -3.90 105.19 104.95 2caq n GLY 86 Ca 0.13 -1.73 0.10 0.00 0.00 0.00 0.00 46.02 44.52 2caq n GLY 86 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2caq n GLY 87 N 1.54 -0.94 3.28 -0.02 0.00 -1.26 -4.79 105.19 103.00 2caq n GLY 87 Ca 0.00 -0.58 -0.15 0.00 0.00 0.00 0.00 46.02 45.29 2caq n GLY 87 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2caq s THR 88 N -2.96 0.51 0.20 2.61 -4.23 -1.26 -5.03 115.64 105.48 2caq s THR 88 Ca 0.07 -1.99 -0.10 0.00 -1.18 0.00 0.00 61.69 58.49 2caq s THR 88 Cb 0.15 -2.46 0.13 0.00 1.34 0.00 0.00 72.50 71.67 2caq s THR 88 CO 0.85 -0.15 1.81 -0.33 -0.54 0.00 0.00 174.62 176.26 2caq h GLU 89 N 2.51 0.68 -0.66 3.99 5.08 -1.97 0.09 114.58 124.30 2caq h GLU 89 Ca -0.37 -0.04 -0.01 0.00 -1.00 0.00 0.00 59.36 57.94 2caq h GLU 89 Cb 1.23 -0.15 -0.03 0.00 0.50 0.00 0.00 28.75 30.30 2caq h GLU 89 CO 0.60 0.45 0.39 1.49 -1.00 0.00 0.00 179.01 180.94 2caq h GLU 90 N 0.70 0.91 -0.32 2.33 4.57 -1.99 -0.63 114.58 120.14 2caq h GLU 90 Ca 0.28 -0.09 -0.11 0.00 -1.18 0.00 0.00 59.36 58.26 2caq h GLU 90 Cb 0.14 -0.19 -0.01 0.00 -0.16 0.00 0.00 28.75 28.53 2caq h GLU 90 CO -0.16 0.66 -0.27 0.93 -1.18 0.00 0.00 179.01 178.99 2caq h GLU 91 N 0.90 0.64 -0.26 1.92 5.08 -1.86 -1.87 114.58 119.13 2caq h GLU 91 Ca 0.24 -0.26 0.04 0.00 -1.00 0.00 0.00 59.36 58.37 2caq h GLU 91 Cb -0.01 -0.03 -0.04 0.00 0.50 0.00 0.00 28.75 29.18 2caq h GLU 91 CO -0.04 0.84 0.04 -0.92 -1.00 0.00 0.00 179.01 177.93 2caq h TYR 92 N 0.55 0.06 -0.46 4.33 3.20 -0.59 0.15 116.97 124.22 2caq h TYR 92 Ca 0.07 0.02 0.04 0.00 3.14 0.00 0.00 58.73 62.00 2caq h TYR 92 Cb 0.74 0.01 -0.04 0.00 1.54 0.00 0.00 36.73 38.99 2caq h TYR 92 CO 0.03 0.01 0.22 -0.92 -1.64 0.00 0.00 178.16 175.86 2caq h TYR 93 N 0.13 0.41 -0.12 -3.82 5.03 -0.90 -0.65 116.97 117.05 2caq h TYR 93 Ca 0.12 0.02 -0.10 0.00 2.58 0.00 0.00 58.73 61.35 2caq h TYR 93 Cb 0.14 -0.12 -0.01 0.00 1.55 0.00 0.00 36.73 38.29 2caq h TYR 93 CO -0.17 0.20 -0.37 -0.91 -1.32 0.00 0.00 178.16 175.59 2caq h ASN 94 N 0.44 0.26 0.18 -2.11 2.35 -0.98 0.31 115.58 116.04 2caq h ASN 94 Ca 0.20 -0.10 -0.01 0.00 -0.55 0.00 0.00 56.30 55.84 2caq h ASN 94 Cb 0.12 -0.07 0.00 0.00 0.05 0.00 0.00 38.32 38.42 2caq h ASN 94 CO -0.15 0.61 -0.09 0.58 -1.65 0.00 0.00 177.43 176.74 2caq h VAL 95 N 0.22 0.86 -0.39 2.81 2.07 -0.71 -2.63 116.25 118.49 2caq h VAL 95 Ca 0.02 -0.16 -0.06 0.00 0.82 0.00 0.00 66.70 67.33 2caq h VAL 95 Cb 0.75 0.96 -0.02 0.00 -1.52 0.00 0.00 31.29 31.46 2caq h VAL 95 CO 0.06 0.04 0.00 -0.33 0.02 0.00 0.00 177.57 177.36 2caq h GLU 96 N -0.32 0.61 -0.01 1.57 4.39 -0.71 -1.53 114.58 118.58 2caq h GLU 96 Ca -0.02 -0.14 0.00 0.00 0.34 0.00 0.00 59.36 59.54 2caq h GLU 96 Cb 0.25 -0.08 -0.00 0.00 -0.10 0.00 0.00 28.75 28.81 2caq h GLU 96 CO 0.04 0.63 -0.02 -0.22 -1.16 0.00 0.00 179.01 178.28 2caq h LYS 97 N 0.58 -0.03 -0.40 2.33 3.64 -0.33 -0.74 116.57 121.62 2caq h LYS 97 Ca 0.12 0.00 -0.11 0.00 -1.27 0.00 0.00 60.65 59.40 2caq h LYS 97 Cb 0.37 0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 32.18 2caq h LYS 97 CO 0.01 -0.02 -0.18 1.25 -2.27 0.00 0.00 179.45 178.24 2caq h LEU 98 N -0.03 0.76 -0.56 5.20 6.46 -1.29 -1.60 115.31 124.25 2caq h LEU 98 Ca 0.01 -0.26 0.02 0.00 -0.12 0.00 0.00 57.88 57.53 2caq h LEU 98 Cb 0.04 -0.21 -0.03 0.00 -0.73 0.00 0.00 40.66 39.73 2caq h LEU 98 CO -0.02 0.94 0.35 0.40 -0.62 0.00 0.00 178.44 179.49 2caq h ILE 99 N 0.67 1.10 -0.43 4.05 2.04 -1.11 0.50 117.51 124.34 2caq h ILE 99 Ca 0.10 -0.24 -0.04 0.00 1.00 0.00 0.00 64.86 65.68 2caq h ILE 99 Cb 0.67 0.33 -0.02 0.00 -0.74 0.00 0.00 36.82 37.06 2caq h ILE 99 CO 0.05 0.13 0.11 1.23 0.00 0.00 0.00 178.15 179.67 2caq h GLY 100 N 0.71 0.74 0.99 5.37 0.00 -0.90 0.84 103.07 110.82 2caq h GLY 100 Ca 0.21 -0.46 0.00 0.00 0.00 0.00 0.00 47.33 47.09 2caq h GLY 100 CO -0.07 0.43 0.16 1.46 0.00 0.00 0.00 176.54 178.52 2caq h GLN 101 N 0.56 0.33 -0.81 4.80 4.20 -1.15 -0.94 115.11 122.10 2caq h GLN 101 Ca 0.14 -0.02 -0.01 0.00 0.06 0.00 0.00 58.65 58.81 2caq h GLN 101 Cb 0.31 -0.07 -0.04 0.00 0.30 0.00 0.00 27.48 27.98 2caq h GLN 101 CO 0.00 0.24 0.46 0.00 -0.67 0.00 0.00 178.83 178.86 2caq h ALA 102 N 1.08 1.28 -0.20 3.87 0.00 -0.71 -2.27 119.26 122.31 2caq h ALA 102 Ca 0.09 -0.11 -0.14 0.00 0.00 0.00 0.00 54.91 54.75 2caq h ALA 102 Cb -0.02 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.44 2caq h ALA 102 CO -0.02 0.59 -0.46 0.93 0.00 0.00 0.00 179.25 180.30 2caq h GLU 103 N 1.13 0.50 -0.31 0.00 4.39 -0.64 0.26 114.58 119.90 2caq h GLU 103 Ca 0.29 -0.27 0.06 0.00 0.34 0.00 0.00 59.36 59.77 2caq h GLU 103 Cb -0.00 0.01 -0.05 0.00 -0.10 0.00 0.00 28.75 28.61 2caq h GLU 103 CO -0.05 0.86 -0.02 -0.44 -1.16 0.00 0.00 179.01 178.20 2caq h ASP 104 N 0.40 -0.16 -0.73 1.42 3.45 -0.92 -0.76 116.42 119.12 2caq h ASP 104 Ca 0.03 0.08 -0.02 0.00 0.43 0.00 0.00 57.03 57.55 2caq h ASP 104 Cb 0.96 0.14 -0.03 0.00 -0.56 0.00 0.00 39.33 39.84 2caq h ASP 104 CO 0.08 -0.05 0.39 0.25 -1.57 0.00 0.00 179.24 178.35 2caq h LEU 105 N 0.07 0.92 -0.97 1.55 5.85 -1.11 -2.41 115.31 119.20 2caq h LEU 105 Ca 0.15 -0.10 0.06 0.00 0.84 0.00 0.00 57.88 58.83 2caq h LEU 105 Cb 0.21 -0.23 -0.06 0.00 0.37 0.00 0.00 40.66 40.94 2caq h LEU 105 CO -0.27 0.76 0.62 -0.08 -0.34 0.00 0.00 178.44 179.13 2caq h GLU 106 N 1.01 1.11 0.00 1.25 4.57 -0.49 -2.04 114.58 119.99 2caq h GLU 106 Ca 0.26 -0.07 -0.08 0.00 -1.18 0.00 0.00 59.36 58.29 2caq h GLU 106 Cb 0.05 -0.25 -0.01 0.00 -0.16 0.00 0.00 28.75 28.38 2caq h GLU 106 CO -0.04 0.74 -0.36 0.45 -1.18 0.00 0.00 179.01 178.62 2caq h HIS 107 N 1.15 0.00 -0.28 0.92 3.86 -0.66 0.47 115.15 120.61 2caq h HIS 107 Ca 0.41 0.00 -0.02 0.00 -1.16 0.00 0.00 60.37 59.60 2caq h HIS 107 Cb 0.13 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.59 2caq h HIS 107 CO -0.01 0.36 0.09 0.93 0.86 0.00 0.00 177.93 180.17 2caq h GLU 108 N 0.00 0.44 -0.75 2.45 4.39 -1.08 -2.99 114.58 117.04 2caq h GLU 108 Ca -0.00 -0.09 0.08 0.00 0.34 0.00 0.00 59.36 59.68 2caq h GLU 108 Cb 0.68 -0.06 -0.06 0.00 -0.10 0.00 0.00 28.75 29.20 2caq h GLU 108 CO 0.05 0.49 0.42 -0.92 -1.16 0.00 0.00 179.01 177.89 2caq h TYR 109 N 0.30 0.76 -0.81 4.33 3.20 -0.86 -2.20 116.97 121.69 2caq h TYR 109 Ca 0.09 0.03 0.18 0.00 3.14 0.00 0.00 58.73 62.17 2caq h TYR 109 Cb 0.24 -0.23 -0.05 0.00 1.54 0.00 0.00 36.73 38.22 2caq h TYR 109 CO 0.00 0.33 0.54 1.88 -1.64 0.00 0.00 178.16 179.28 2caq h TYR 110 N 0.74 0.45 -0.20 -3.82 0.99 -0.79 -1.93 116.97 112.40 2caq h TYR 110 Ca 0.35 0.01 0.06 0.00 2.00 0.00 0.00 58.73 61.15 2caq h TYR 110 Cb 0.28 -0.14 -0.01 0.00 1.00 0.00 0.00 36.73 37.86 2caq h TYR 110 CO -0.07 0.15 0.25 0.87 -0.00 0.00 0.00 178.16 179.36 2caq h LYS 111 N 0.36 0.00 0.00 4.88 1.57 -1.26 -2.20 116.57 119.92 2caq h LYS 111 Ca 0.41 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.19 2caq h LYS 111 Cb 1.04 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.35 2caq h LYS 111 CO -0.13 0.00 -0.49 0.25 -0.57 0.00 0.00 179.45 178.52 2caq n THR 112 N -3.66 0.12 -2.77 -0.16 -2.24 -0.73 -4.95 114.28 99.89 2caq n THR 112 Ca 0.02 -0.09 -0.36 0.00 -2.27 0.00 0.00 64.05 61.35 2caq n THR 112 Cb 0.37 0.04 -0.06 0.00 -2.10 0.00 0.00 70.33 68.58 2caq n THR 112 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 2caq s LEU 113 N -3.41 4.26 -1.40 3.22 1.43 -0.83 -4.05 118.68 117.90 2caq s LEU 113 Ca 0.10 1.82 -0.06 0.00 -1.03 0.00 0.00 54.13 54.96 2caq s LEU 113 Cb 0.16 -4.12 0.03 0.00 0.03 0.00 0.00 46.19 42.30 2caq s LEU 113 CO 0.69 -0.15 0.82 0.23 0.23 0.00 0.00 176.35 178.18 2caq n MET 114 N 0.31 -5.24 -4.75 1.70 2.81 -1.26 -5.00 117.12 105.68 2caq n MET 114 Ca 0.03 0.62 -0.26 0.00 -1.81 0.00 0.00 57.70 56.27 2caq n MET 114 Cb 0.51 -5.32 -0.14 0.00 -0.71 0.00 0.00 33.22 27.56 2caq n MET 114 CO 0.00 0.00 0.00 0.15 1.51 0.00 0.00 175.97 177.63 2caq s LYS 115 N -6.25 1.49 0.41 0.03 -0.14 -1.26 -5.12 119.74 108.91 2caq s LYS 115 Ca 0.28 -0.92 -0.26 0.00 -1.36 0.00 0.00 55.97 53.71 2caq s LYS 115 Cb -0.14 -1.58 -0.10 0.00 -1.68 0.00 0.00 37.83 34.33 2caq s LYS 115 CO 0.82 0.41 1.36 -0.35 -0.76 0.00 0.00 175.35 176.83 2caq n PRO 116 N 1.98 2.19 -0.38 -1.68 -0.04 -1.26 -4.70 135.00 131.12 2caq n PRO 116 Ca -0.17 0.78 0.34 0.00 -0.04 0.00 0.00 63.50 64.40 2caq n PRO 116 Cb 0.53 -2.49 0.61 0.00 -0.04 0.00 0.00 33.50 32.10 2caq n PRO 116 CO 0.00 0.00 0.00 1.49 -0.04 0.00 0.00 175.50 176.95 2caq h GLU 117 N 2.38 0.05 0.41 0.54 4.57 -1.98 -1.36 114.58 119.20 2caq h GLU 117 Ca -0.49 -0.00 -0.02 0.00 -1.18 0.00 0.00 59.36 57.67 2caq h GLU 117 Cb 1.28 -0.01 -0.00 0.00 -0.16 0.00 0.00 28.75 29.85 2caq h GLU 117 CO 0.61 0.04 -0.23 1.05 -1.18 0.00 0.00 179.01 179.29 2caq h GLU 118 N 0.06 -0.59 0.00 1.92 -0.00 -2.01 -2.32 114.58 111.64 2caq h GLU 118 Ca 0.84 0.04 0.00 0.00 -0.00 0.00 0.00 59.36 60.24 2caq h GLU 118 Cb 2.36 0.13 0.00 0.00 -0.00 0.00 0.00 28.75 31.25 2caq h GLU 118 CO -0.63 -0.39 -0.30 1.05 -0.00 0.00 0.00 179.01 178.74 2caq h GLU 119 N -0.61 0.00 -0.40 1.06 4.11 -1.71 -3.25 114.58 113.78 2caq h GLU 119 Ca -0.05 0.00 0.02 0.00 0.07 0.00 0.00 59.36 59.40 2caq h GLU 119 Cb 0.49 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.71 2caq h GLU 119 CO 0.06 0.00 0.23 -0.22 0.07 0.00 0.00 179.01 179.16 2caq h LYS 120 N 0.00 0.46 -0.04 1.06 3.64 -1.17 -1.24 116.57 119.27 2caq h LYS 120 Ca 0.00 -0.03 -0.10 0.00 -1.27 0.00 0.00 60.65 59.25 2caq h LYS 120 Cb 0.96 -0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 32.67 2caq h LYS 120 CO 0.00 0.30 -0.46 1.96 -2.27 0.00 0.00 179.45 178.99 2caq h GLN 121 N 0.47 0.10 -0.40 1.90 1.08 -1.47 -0.15 115.11 116.65 2caq h GLN 121 Ca 0.16 -0.05 -0.06 0.00 -1.45 0.00 0.00 58.65 57.26 2caq h GLN 121 Cb 0.02 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.43 2caq h GLN 121 CO -0.08 0.54 0.02 -0.22 -0.95 0.00 0.00 178.83 178.14 2caq h LYS 122 N 0.08 0.68 -0.20 1.46 1.63 -1.54 -1.67 116.57 117.02 2caq h LYS 122 Ca 0.00 -0.21 -0.03 0.00 -0.85 0.00 0.00 60.65 59.56 2caq h LYS 122 Cb 0.84 -0.07 -0.01 0.00 -0.60 0.00 0.00 32.23 32.39 2caq h LYS 122 CO 0.06 0.76 -0.01 0.82 -3.45 0.00 0.00 179.45 177.64 2caq h ILE 123 N 0.52 1.26 -0.23 2.00 2.04 -1.05 -1.22 117.51 120.83 2caq h ILE 123 Ca 0.11 -0.90 0.06 0.00 1.00 0.00 0.00 64.86 65.14 2caq h ILE 123 Cb 0.44 1.46 -0.06 0.00 -0.74 0.00 0.00 36.82 37.91 2caq h ILE 123 CO 0.02 0.27 -0.19 0.40 0.00 0.00 0.00 178.15 178.65 2caq h ILE 124 N 0.11 0.49 -0.78 -0.67 2.04 -1.01 0.11 117.51 117.80 2caq h ILE 124 Ca 0.06 0.00 0.05 0.00 1.00 0.00 0.00 64.86 65.97 2caq h ILE 124 Cb 0.41 0.49 -0.06 0.00 -0.74 0.00 0.00 36.82 36.92 2caq h ILE 124 CO 0.01 0.00 0.48 0.50 0.00 0.00 0.00 178.15 179.14 2caq h LYS 125 N -0.19 0.86 0.44 2.37 3.64 -1.25 0.31 116.57 122.76 2caq h LYS 125 Ca 0.13 -0.05 -0.02 0.00 -1.27 0.00 0.00 60.65 59.44 2caq h LYS 125 Cb 0.39 -0.19 0.00 0.00 -0.41 0.00 0.00 32.23 32.02 2caq h LYS 125 CO -0.34 0.57 -0.21 1.49 -2.27 0.00 0.00 179.45 178.68 2caq h GLU 126 N 0.89 -0.58 -0.29 1.90 4.22 -0.51 -1.65 114.58 118.56 2caq h GLU 126 Ca 0.34 0.04 -0.12 0.00 0.08 0.00 0.00 59.36 59.70 2caq h GLU 126 Cb 0.14 0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.51 2caq h GLU 126 CO -0.16 -0.36 -0.31 -0.84 -2.18 0.00 0.00 179.01 175.16 2caq h ILE 127 N -0.64 1.28 0.00 2.32 3.07 -0.55 -0.54 117.51 122.45 2caq h ILE 127 Ca -0.06 -1.43 -0.05 0.00 1.55 0.00 0.00 64.86 64.87 2caq h ILE 127 Cb 0.48 1.41 -0.01 0.00 -0.27 0.00 0.00 36.82 38.43 2caq h ILE 127 CO 0.10 0.46 -0.23 -0.07 -1.05 0.00 0.00 178.15 177.36 2caq h LEU 128 N 0.52 0.00 -1.03 0.16 3.38 -0.94 -1.74 115.31 115.66 2caq h LEU 128 Ca 0.06 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.03 2caq h LEU 128 Cb 0.80 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.55 2caq h LEU 128 CO 0.07 0.23 -0.21 0.59 0.09 0.00 0.00 178.44 179.20 2caq n ASN 129 N -3.35 1.81 0.00 -0.43 4.13 -0.63 -4.47 115.26 112.32 2caq n ASN 129 Ca 0.00 -1.42 0.00 0.00 1.68 0.00 0.00 54.58 54.84 2caq n ASN 129 Cb 0.45 0.17 0.00 0.00 -1.54 0.00 0.00 39.78 38.86 2caq n ASN 129 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2caq n GLY 130 N 1.33 1.16 0.16 7.41 0.00 -0.24 -4.99 105.19 110.02 2caq n GLY 130 Ca 0.13 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.17 2caq n GLY 130 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2caq h LYS 131 N 0.00 0.00 0.82 1.61 1.79 -1.77 -3.33 116.57 115.70 2caq h LYS 131 Ca 0.00 0.00 -0.04 0.00 -2.18 0.00 0.00 60.65 58.43 2caq h LYS 131 Cb 0.00 0.00 0.01 0.00 -1.58 0.00 0.00 32.23 30.66 2caq h LYS 131 CO 0.00 0.51 -0.42 0.28 -1.08 0.00 0.00 179.45 178.74 2caq h VAL 132 N 0.00 0.14 -0.37 0.50 2.07 -1.65 -0.44 116.25 116.50 2caq h VAL 132 Ca -0.01 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.54 2caq h VAL 132 Cb 1.02 0.14 -0.02 0.00 -1.52 0.00 0.00 31.29 30.92 2caq h VAL 132 CO 0.07 0.00 0.25 1.55 0.02 0.00 0.00 177.57 179.46 2caq h PRO 133 N -1.14 0.38 -0.53 1.57 0.13 -1.78 0.06 132.00 130.69 2caq h PRO 133 Ca -0.11 -0.02 0.03 0.00 -0.87 0.00 0.00 66.00 65.02 2caq h PRO 133 Cb 0.89 -0.09 -0.04 0.00 0.13 0.00 0.00 31.00 31.89 2caq h PRO 133 CO 0.17 0.25 0.31 0.28 -0.23 0.00 0.00 178.00 178.78 2caq h VAL 134 N 0.39 1.05 -0.03 1.56 2.07 -1.59 -1.98 116.25 117.71 2caq h VAL 134 Ca 0.15 -0.21 -0.23 0.00 0.82 0.00 0.00 66.70 67.23 2caq h VAL 134 Cb 0.12 0.37 0.01 0.00 -1.52 0.00 0.00 31.29 30.27 2caq h VAL 134 CO -0.03 0.11 -0.91 -0.07 0.02 0.00 0.00 177.57 176.69 2caq h LEU 135 N 0.62 0.67 -1.07 2.57 3.38 -0.25 -2.60 115.31 118.63 2caq h LEU 135 Ca 0.21 -0.51 0.02 0.00 0.09 0.00 0.00 57.88 57.69 2caq h LEU 135 Cb 0.03 -0.20 -0.05 0.00 0.09 0.00 0.00 40.66 40.53 2caq h LEU 135 CO -0.10 1.30 0.63 -0.07 0.09 0.00 0.00 178.44 180.29 2caq h LEU 136 N 0.32 1.07 -0.27 1.67 3.38 -0.91 -0.29 115.31 120.28 2caq h LEU 136 Ca -0.08 -0.02 -0.11 0.00 0.09 0.00 0.00 57.88 57.76 2caq h LEU 136 Cb 1.54 -0.26 -0.00 0.00 0.09 0.00 0.00 40.66 42.02 2caq h LEU 136 CO 0.17 0.77 -0.26 -0.78 0.09 0.00 0.00 178.44 178.42 2caq h ASP 137 N 1.26 0.71 -0.68 -0.43 3.58 -1.31 -0.61 116.42 118.94 2caq h ASP 137 Ca 0.36 -0.47 0.04 0.00 0.42 0.00 0.00 57.03 57.38 2caq h ASP 137 Cb -0.10 -0.20 -0.05 0.00 1.72 0.00 0.00 39.33 40.70 2caq h ASP 137 CO -0.09 1.03 0.41 0.40 -2.88 0.00 0.00 179.24 178.11 2caq h ILE 138 N 0.39 1.05 -0.72 2.25 2.04 -1.20 -0.15 117.51 121.17 2caq h ILE 138 Ca 0.04 -0.27 -0.00 0.00 1.00 0.00 0.00 64.86 65.63 2caq h ILE 138 Cb 0.83 0.19 -0.03 0.00 -0.74 0.00 0.00 36.82 37.06 2caq h ILE 138 CO 0.07 0.14 0.45 0.40 0.00 0.00 0.00 178.15 179.21 2caq h ILE 139 N 0.79 1.20 -0.75 -0.67 2.04 -0.92 -1.57 117.51 117.62 2caq h ILE 139 Ca 0.29 -0.42 0.04 0.00 1.00 0.00 0.00 64.86 65.76 2caq h ILE 139 Cb 0.08 0.19 -0.05 0.00 -0.74 0.00 0.00 36.82 36.30 2caq h ILE 139 CO -0.13 0.20 0.46 0.00 0.00 0.00 0.00 178.15 178.68 2caq h GLU 141 N 0.88 0.85 -0.55 0.00 4.39 -0.69 -0.50 114.58 118.98 2caq h GLU 141 Ca 0.31 -0.11 0.03 0.00 0.34 0.00 0.00 59.36 59.93 2caq h GLU 141 Cb 0.07 -0.16 -0.04 0.00 -0.10 0.00 0.00 28.75 28.52 2caq h GLU 141 CO -0.13 0.66 0.32 0.77 -1.16 0.00 0.00 179.01 179.47 2caq h SER 142 N 0.82 0.51 -0.61 1.42 0.02 -0.77 -2.47 113.55 112.47 2caq h SER 142 Ca 0.21 0.01 -0.05 0.00 -0.84 0.00 0.00 61.79 61.12 2caq h SER 142 Cb 0.07 -0.10 -0.03 0.00 0.14 0.00 0.00 62.40 62.48 2caq h SER 142 CO -0.03 0.36 0.17 -0.07 -1.14 0.00 0.00 176.83 176.12 2caq h LEU 143 N 0.63 0.90 -1.21 5.07 3.38 -0.81 -2.78 115.31 120.49 2caq h LEU 143 Ca 0.23 -0.22 0.12 0.00 0.09 0.00 0.00 57.88 58.10 2caq h LEU 143 Cb 0.05 -0.24 -0.07 0.00 0.09 0.00 0.00 40.66 40.49 2caq h LEU 143 CO -0.11 0.88 0.58 0.11 0.09 0.00 0.00 178.44 179.99 2caq h LYS 144 N 0.87 0.78 0.00 1.13 1.57 -0.82 -2.05 116.57 118.05 2caq h LYS 144 Ca 0.19 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.93 2caq h LYS 144 Cb 0.31 -0.18 0.00 0.00 0.08 0.00 0.00 32.23 32.45 2caq h LYS 144 CO -0.00 0.52 0.00 0.00 -0.57 0.00 0.00 179.45 179.39 2caq n ALA 145 N -2.41 2.27 -1.76 3.86 0.00 -0.96 -4.85 120.51 116.66 2caq n ALA 145 Ca 0.17 -0.11 -0.39 0.00 0.00 0.00 0.00 53.44 53.11 2caq n ALA 145 Cb 0.39 -1.43 0.01 0.00 0.00 0.00 0.00 19.45 18.42 2caq n ALA 145 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2caq s SER 146 N -2.75 6.06 0.00 0.00 0.15 -0.77 -4.92 113.70 111.46 2caq s SER 146 Ca 0.20 2.68 0.28 0.00 0.70 0.00 0.00 55.95 59.81 2caq s SER 146 Cb 0.18 -2.64 1.07 0.00 -1.71 0.00 0.00 66.02 62.92 2caq s SER 146 CO 0.43 -1.03 1.77 0.35 1.20 0.00 0.00 173.24 175.96 2caq n THR 147 N -0.18 0.00 -3.26 6.45 -2.24 -1.26 -4.92 114.28 108.87 2caq n THR 147 Ca 0.05 -0.07 0.00 0.00 -2.27 0.00 0.00 64.05 61.76 2caq n THR 147 Cb 0.44 0.04 0.00 0.00 -2.10 0.00 0.00 70.33 68.70 2caq n THR 147 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2caq n GLY 148 N 1.31 5.83 0.14 3.38 0.00 -1.24 -4.91 105.19 109.69 2caq n GLY 148 Ca 0.13 -1.76 0.12 0.00 0.00 0.00 0.00 46.02 44.51 2caq n GLY 148 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2caq h LYS 149 N 0.00 0.00 0.00 1.61 1.79 -1.84 -3.45 116.57 114.68 2caq h LYS 149 Ca 0.00 0.00 -0.35 0.00 -2.18 0.00 0.00 60.65 58.12 2caq h LYS 149 Cb 0.00 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 30.63 2caq h LYS 149 CO 0.00 0.00 -0.14 1.28 -1.08 0.00 0.00 179.45 179.51 2caq n LEU 150 N -2.55 0.00 -0.26 2.94 4.32 -0.37 -4.79 117.00 116.29 2caq n LEU 150 Ca 0.04 -1.76 0.05 0.00 -0.02 0.00 0.00 56.01 54.33 2caq n LEU 150 Cb 0.47 -0.09 0.19 0.00 -1.62 0.00 0.00 43.42 42.38 2caq n LEU 150 CO 0.33 -0.51 1.04 0.00 -1.22 0.00 0.00 177.39 177.04 2caq h ALA 151 N 0.59 1.10 -2.88 -1.18 0.00 -1.90 -3.37 119.26 111.62 2caq h ALA 151 Ca -0.21 0.10 -0.44 0.00 0.00 0.00 0.00 54.91 54.37 2caq h ALA 151 Cb 0.80 0.05 -0.40 0.00 0.00 0.00 0.00 17.79 18.24 2caq h ALA 151 CO 0.32 -0.17 -0.73 0.08 0.00 0.00 0.00 179.25 178.76 2caq s VAL 152 N -6.01 -0.14 0.00 0.00 1.01 -1.26 -4.48 120.40 109.52 2caq s VAL 152 Ca -0.12 -0.25 0.00 0.00 0.00 0.00 0.00 61.98 61.61 2caq s VAL 152 Cb 0.20 -0.67 0.00 0.00 0.00 0.00 0.00 36.38 35.92 2caq s VAL 152 CO 0.77 -0.34 0.00 0.61 0.00 0.00 0.00 175.10 176.14 2caq n GLY 153 N 5.28 0.31 0.27 4.51 0.00 -1.26 -4.24 105.19 110.06 2caq n GLY 153 Ca -0.06 -0.86 0.04 0.00 0.00 0.00 0.00 46.02 45.13 2caq n GLY 153 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2caq n ASP 154 N -1.10 1.48 -4.66 1.61 8.00 -1.26 -1.23 116.55 119.38 2caq n ASP 154 Ca 0.00 -1.24 -0.30 0.00 0.71 0.00 0.00 54.79 53.96 2caq n ASP 154 Cb 0.00 0.14 -0.09 0.00 -0.02 0.00 0.00 41.12 41.15 2caq n ASP 154 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 2caq s LYS 155 N -0.80 2.46 0.28 -1.24 3.01 -1.26 -4.77 119.74 117.42 2caq s LYS 155 Ca 0.08 -0.87 -0.30 0.00 -1.01 0.00 0.00 55.97 53.87 2caq s LYS 155 Cb 0.06 -2.49 -0.11 0.00 -1.01 0.00 0.00 37.83 34.29 2caq s LYS 155 CO 0.12 0.54 1.55 0.08 0.51 0.00 0.00 175.35 178.16 2caq s VAL 156 N -1.27 2.24 0.32 3.17 1.01 -1.26 -4.77 120.40 119.84 2caq s VAL 156 Ca 0.24 0.20 0.04 0.00 0.00 0.00 0.00 61.98 62.47 2caq s VAL 156 Cb -0.12 -3.13 -0.06 0.00 0.00 0.00 0.00 36.38 33.07 2caq s VAL 156 CO 0.17 0.03 0.03 0.42 0.00 0.00 0.00 175.10 175.75 2caq s THR 157 N 0.03 1.33 0.48 3.92 -4.23 -1.26 -4.60 115.64 111.30 2caq s THR 157 Ca 0.62 -2.02 0.17 0.00 -1.18 0.00 0.00 61.69 59.28 2caq s THR 157 Cb -0.46 -2.75 0.32 0.00 1.34 0.00 0.00 72.50 70.95 2caq s THR 157 CO 0.46 -0.06 2.04 0.25 -0.54 0.00 0.00 174.62 176.78 2caq h LEU 158 N 2.12 0.18 -0.67 4.79 5.85 -1.48 -2.56 115.31 123.54 2caq h LEU 158 Ca -0.41 0.00 0.07 0.00 0.84 0.00 0.00 57.88 58.38 2caq h LEU 158 Cb 1.24 -0.04 -0.06 0.00 0.37 0.00 0.00 40.66 42.17 2caq h LEU 158 CO 0.70 0.12 0.36 0.00 -0.34 0.00 0.00 178.44 179.28 2caq h ALA 159 N 1.80 0.91 -0.73 1.25 0.00 -1.83 -0.85 119.26 119.81 2caq h ALA 159 Ca 0.18 0.03 0.10 0.00 0.00 0.00 0.00 54.91 55.22 2caq h ALA 159 Cb 0.44 -0.09 -0.08 0.00 0.00 0.00 0.00 17.79 18.07 2caq h ALA 159 CO -0.03 0.00 0.36 -0.44 0.00 0.00 0.00 179.25 179.15 2caq h ASP 160 N 0.64 0.47 -0.02 0.00 3.32 -1.85 -1.92 116.42 117.06 2caq h ASP 160 Ca 0.31 0.07 -0.08 0.00 0.02 0.00 0.00 57.03 57.35 2caq h ASP 160 Cb 0.25 -0.01 0.01 0.00 0.22 0.00 0.00 39.33 39.80 2caq h ASP 160 CO -0.21 0.26 -0.29 -0.07 -1.72 0.00 0.00 179.24 177.20 2caq h LEU 161 N 0.60 0.28 -1.03 1.55 3.38 -1.36 -2.56 115.31 116.18 2caq h LEU 161 Ca 0.37 -0.74 0.04 0.00 0.09 0.00 0.00 57.88 57.64 2caq h LEU 161 Cb 0.41 -0.09 -0.06 0.00 0.09 0.00 0.00 40.66 41.02 2caq h LEU 161 CO -0.29 0.98 0.65 0.58 0.09 0.00 0.00 178.44 180.46 2caq h VAL 162 N -0.39 1.17 0.04 1.22 2.07 -1.20 -2.63 116.25 116.53 2caq h VAL 162 Ca -0.03 -0.43 -0.00 0.00 0.82 0.00 0.00 66.70 67.06 2caq h VAL 162 Cb 1.01 -0.19 0.00 0.00 -1.52 0.00 0.00 31.29 30.59 2caq h VAL 162 CO 0.06 0.23 -0.02 0.25 0.02 0.00 0.00 177.57 178.11 2caq h LEU 163 N 1.25 -0.05 -0.65 2.57 5.85 -1.30 -1.77 115.31 121.22 2caq h LEU 163 Ca 0.39 -0.10 0.08 0.00 0.84 0.00 0.00 57.88 59.10 2caq h LEU 163 Cb 0.01 0.01 -0.07 0.00 0.37 0.00 0.00 40.66 40.98 2caq h LEU 163 CO -0.12 0.07 0.31 0.40 -0.34 0.00 0.00 178.44 178.75 2caq h ILE 164 N -0.16 0.86 -0.47 4.05 2.04 -1.35 -0.49 117.51 121.99 2caq h ILE 164 Ca -0.01 -0.19 -0.03 0.00 1.00 0.00 0.00 64.86 65.63 2caq h ILE 164 Cb 0.14 0.26 -0.02 0.00 -0.74 0.00 0.00 36.82 36.46 2caq h ILE 164 CO 0.01 0.10 0.17 0.00 0.00 0.00 0.00 178.15 178.43 2caq h ALA 165 N 1.39 0.62 -0.36 1.87 0.00 -1.32 -1.69 119.26 119.77 2caq h ALA 165 Ca 0.31 -0.16 -0.15 0.00 0.00 0.00 0.00 54.91 54.91 2caq h ALA 165 Cb 0.31 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 2caq h ALA 165 CO -0.25 0.24 -0.37 0.28 0.00 0.00 0.00 179.25 179.15 2caq h VAL 166 N 0.62 1.28 -0.92 0.00 2.07 -0.96 -2.58 116.25 115.76 2caq h VAL 166 Ca 0.16 -1.54 -0.00 0.00 0.82 0.00 0.00 66.70 66.13 2caq h VAL 166 Cb 0.23 1.39 -0.04 0.00 -1.52 0.00 0.00 31.29 31.34 2caq h VAL 166 CO -0.01 0.51 0.56 0.40 0.02 0.00 0.00 177.57 179.05 2caq h ILE 167 N 0.70 1.25 -0.71 4.57 1.08 -0.99 -0.98 117.51 122.43 2caq h ILE 167 Ca 0.06 -0.53 0.07 0.00 -0.39 0.00 0.00 64.86 64.07 2caq h ILE 167 Cb 0.94 -0.05 -0.04 0.00 -3.07 0.00 0.00 36.82 34.59 2caq h ILE 167 CO 0.09 0.26 0.47 0.44 -0.69 0.00 0.00 178.15 178.72 2caq h ASP 168 N 1.26 0.63 -0.35 1.72 3.45 -1.12 -1.03 116.42 120.99 2caq h ASP 168 Ca 0.33 0.00 -0.15 0.00 0.43 0.00 0.00 57.03 57.64 2caq h ASP 168 Cb -0.07 -0.13 -0.01 0.00 -0.56 0.00 0.00 39.33 38.57 2caq h ASP 168 CO -0.06 0.41 -0.37 0.45 -1.57 0.00 0.00 179.24 178.09 2caq h HIS 169 N 0.72 1.07 -0.36 4.55 3.86 -0.82 -1.69 115.15 122.46 2caq h HIS 169 Ca 0.31 -0.31 0.02 0.00 -1.16 0.00 0.00 60.37 59.23 2caq h HIS 169 Cb 0.29 -0.23 -0.03 0.00 1.06 0.00 0.00 27.41 28.51 2caq h HIS 169 CO -0.00 1.12 0.20 0.28 0.86 0.00 0.00 177.93 180.39 2caq h VAL 170 N 0.74 1.01 0.00 2.45 2.07 -0.59 -2.58 116.25 119.35 2caq h VAL 170 Ca 0.06 -0.14 -0.02 0.00 0.82 0.00 0.00 66.70 67.42 2caq h VAL 170 Cb 0.95 0.57 -0.00 0.00 -1.52 0.00 0.00 31.29 31.29 2caq h VAL 170 CO 0.09 0.07 -0.11 0.71 0.02 0.00 0.00 177.57 178.35 2caq h THR 171 N 0.40 0.28 -0.29 2.57 1.35 -1.17 -0.76 112.91 115.30 2caq h THR 171 Ca 0.15 -0.82 -0.01 0.00 -0.55 0.00 0.00 66.41 65.18 2caq h THR 171 Cb 0.03 1.64 -0.01 0.00 -1.73 0.00 0.00 68.15 68.08 2caq h THR 171 CO -0.09 0.11 0.13 0.44 -0.25 0.00 0.00 175.52 175.86 2caq h ASP 172 N 0.00 0.35 0.40 5.36 3.45 -0.92 -2.76 116.42 122.30 2caq h ASP 172 Ca -0.00 -0.02 -0.32 0.00 0.43 0.00 0.00 57.03 57.12 2caq h ASP 172 Cb 0.64 -0.09 0.00 0.00 -0.56 0.00 0.00 39.33 39.32 2caq h ASP 172 CO 0.01 0.31 -1.53 -0.07 -1.57 0.00 0.00 179.24 176.39 2caq h LEU 173 N 0.40 0.50 -6.36 1.55 3.38 -0.93 -3.44 115.31 110.40 2caq h LEU 173 Ca 0.10 -0.66 -0.15 0.00 0.09 0.00 0.00 57.88 57.27 2caq h LEU 173 Cb 0.06 -0.16 -0.29 0.00 0.09 0.00 0.00 40.66 40.37 2caq h LEU 173 CO -0.01 1.54 -0.49 -0.62 0.09 0.00 0.00 178.44 178.95 2caq s ASP 174 N -7.14 0.16 0.49 -0.43 -1.08 -0.70 -5.05 116.67 102.92 2caq s ASP 174 Ca -0.10 0.04 0.16 0.00 -0.52 0.00 0.00 52.55 52.13 2caq s ASP 174 Cb 0.06 1.20 1.18 0.00 -1.46 0.00 0.00 42.92 43.90 2caq s ASP 174 CO 0.87 -0.32 2.06 0.11 0.52 0.00 0.00 175.17 178.42 2caq h LYS 175 N 8.16 0.17 -0.56 4.34 6.56 -1.76 -2.27 116.57 131.22 2caq h LYS 175 Ca -0.15 -0.01 0.00 0.00 -1.06 0.00 0.00 60.65 59.43 2caq h LYS 175 Cb 1.14 -0.04 0.00 0.00 -0.57 0.00 0.00 32.23 32.76 2caq h LYS 175 CO 0.27 0.12 0.00 0.39 -2.06 0.00 0.00 179.45 178.16 2caq n GLU 176 N -4.48 2.86 -0.07 3.15 -0.58 -1.26 -4.65 120.64 115.61 2caq n GLU 176 Ca 0.04 -2.44 0.04 0.00 -0.42 0.00 0.00 57.16 54.38 2caq n GLU 176 Cb 0.26 -1.48 0.39 0.00 -0.57 0.00 0.00 31.44 30.04 2caq n GLU 176 CO 0.00 0.00 0.00 0.35 -0.48 0.00 0.00 177.13 177.00 2caq h PHE 177 N 3.30 0.62 -0.01 -0.32 3.57 -1.76 -1.15 116.94 121.19 2caq h PHE 177 Ca 0.00 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.51 2caq h PHE 177 Cb 0.93 -0.21 0.00 0.00 2.79 0.00 0.00 35.95 39.46 2caq h PHE 177 CO 0.40 0.37 -0.39 1.28 -2.23 0.00 0.00 178.31 177.74 2caq n LEU 178 N -4.47 0.92 -4.67 0.59 7.99 -1.26 -4.85 117.00 111.25 2caq n LEU 178 Ca 0.06 -0.22 -0.42 0.00 -0.01 0.00 0.00 56.01 55.41 2caq n LEU 178 Cb 0.10 -0.15 -0.03 0.00 -0.11 0.00 0.00 43.42 43.24 2caq n LEU 178 CO 0.35 0.19 1.48 -0.89 -1.51 0.00 0.00 177.39 177.01 2caq s THR 179 N -2.69 3.05 0.00 -5.08 2.01 -0.44 -1.48 115.64 111.01 2caq s THR 179 Ca 0.19 0.26 0.00 0.00 0.31 0.00 0.00 61.69 62.44 2caq s THR 179 Cb 0.18 -3.16 0.00 0.00 0.01 0.00 0.00 72.50 69.53 2caq s THR 179 CO 0.60 -0.01 0.00 0.61 -0.69 0.00 0.00 174.62 175.13 2caq n GLY 180 N 4.30 0.49 3.31 4.40 0.00 -1.26 -5.00 105.19 111.44 2caq n GLY 180 Ca 0.18 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 46.04 2caq n GLY 180 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2caq s LYS 181 N -0.29 1.38 -1.24 1.61 1.02 -0.55 -4.94 119.74 116.73 2caq s LYS 181 Ca 0.00 -1.74 -0.14 0.00 0.02 0.00 0.00 55.97 54.12 2caq s LYS 181 Cb 0.00 -0.31 -0.00 0.00 -0.52 0.00 0.00 37.83 37.00 2caq s LYS 181 CO 0.00 -0.26 0.66 0.66 -0.92 0.00 0.00 175.35 175.49 2caq n TYR 182 N -0.44 -1.80 -0.21 3.18 4.02 -1.26 -4.84 117.16 115.81 2caq n TYR 182 Ca -0.01 0.55 0.15 0.00 -0.01 0.00 0.00 57.90 58.57 2caq n TYR 182 Cb 0.66 -3.56 0.46 0.00 -0.02 0.00 0.00 39.34 36.88 2caq n TYR 182 CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 176.86 174.85 2caq h PRO 183 N -1.91 0.50 -0.95 -0.72 0.13 -1.92 -1.59 132.00 125.53 2caq h PRO 183 Ca -0.65 -0.03 0.04 0.00 -0.87 0.00 0.00 66.00 64.49 2caq h PRO 183 Cb 1.37 -0.11 -0.06 0.00 0.13 0.00 0.00 31.00 32.33 2caq h PRO 183 CO 0.53 0.33 0.62 0.93 -0.23 0.00 0.00 178.00 180.18 2caq h GLU 184 N 0.51 1.15 -0.29 0.86 3.07 -1.92 -0.58 114.58 117.39 2caq h GLU 184 Ca 0.41 -0.07 -0.10 0.00 -0.50 0.00 0.00 59.36 59.10 2caq h GLU 184 Cb 0.85 -0.26 -0.01 0.00 -0.84 0.00 0.00 28.75 28.50 2caq h GLU 184 CO -0.16 0.76 -0.22 0.82 -1.40 0.00 0.00 179.01 178.82 2caq h ILE 185 N 1.19 1.30 -0.40 3.13 2.04 -1.65 -0.50 117.51 122.62 2caq h ILE 185 Ca 0.38 -1.36 0.00 0.00 1.00 0.00 0.00 64.86 64.89 2caq h ILE 185 Cb 0.03 1.55 -0.02 0.00 -0.74 0.00 0.00 36.82 37.64 2caq h ILE 185 CO -0.13 0.43 0.26 0.45 0.00 0.00 0.00 178.15 179.16 2caq h HIS 186 N 0.39 0.51 -0.61 1.37 3.86 -1.35 -1.97 115.15 117.36 2caq h HIS 186 Ca 0.05 0.01 -0.07 0.00 -1.16 0.00 0.00 60.37 59.20 2caq h HIS 186 Cb 0.77 -0.17 -0.03 0.00 1.06 0.00 0.00 27.41 29.04 2caq h HIS 186 CO 0.07 0.34 0.09 -0.22 0.86 0.00 0.00 177.93 179.06 2caq h LYS 187 N 0.54 1.00 -0.41 2.45 1.63 -1.07 -2.38 116.57 118.33 2caq h LYS 187 Ca 0.15 -0.26 -0.00 0.00 -0.85 0.00 0.00 60.65 59.69 2caq h LYS 187 Cb -0.05 -0.12 -0.02 0.00 -0.60 0.00 0.00 32.23 31.44 2caq h LYS 187 CO -0.03 0.93 0.25 1.25 -3.45 0.00 0.00 179.45 178.40 2caq h HIS 188 N 0.94 0.53 -0.44 1.91 2.76 -0.85 -0.86 115.15 119.14 2caq h HIS 188 Ca 0.19 0.00 0.02 0.00 -2.20 0.00 0.00 60.37 58.38 2caq h HIS 188 Cb 0.42 -0.18 -0.03 0.00 1.55 0.00 0.00 27.41 29.18 2caq h HIS 188 CO 0.03 0.37 0.27 -0.09 -1.30 0.00 0.00 177.93 177.20 2caq h ARG 189 N 0.54 0.52 0.05 5.26 2.43 -1.17 -0.29 114.38 121.73 2caq h ARG 189 Ca 0.15 -0.03 0.02 0.00 -0.81 0.00 0.00 59.98 59.31 2caq h ARG 189 Cb -0.02 -0.12 -0.03 0.00 -0.42 0.00 0.00 29.97 29.38 2caq h ARG 189 CO -0.03 0.35 -0.20 0.93 -1.51 0.00 0.00 179.97 179.51 2caq h GLU 190 N 0.54 -0.33 -0.77 0.20 5.08 -1.14 -2.04 114.58 116.12 2caq h GLU 190 Ca 0.17 0.02 -0.01 0.00 -1.00 0.00 0.00 59.36 58.55 2caq h GLU 190 Cb -0.00 0.07 -0.04 0.00 0.50 0.00 0.00 28.75 29.28 2caq h GLU 190 CO -0.07 -0.22 0.45 -0.91 -1.00 0.00 0.00 179.01 177.26 2caq h ASN 191 N -0.34 0.93 -0.19 1.42 2.35 -0.97 -1.30 115.58 117.48 2caq h ASN 191 Ca 0.04 -0.07 -0.01 0.00 -0.55 0.00 0.00 56.30 55.71 2caq h ASN 191 Cb 0.39 -0.24 -0.01 0.00 0.05 0.00 0.00 38.32 38.52 2caq h ASN 191 CO -0.15 0.73 0.08 0.25 -1.65 0.00 0.00 177.43 176.70 2caq h LEU 192 N 1.05 0.25 -0.90 1.61 5.85 -0.95 -0.94 115.31 121.28 2caq h LEU 192 Ca 0.27 -0.14 -0.08 0.00 0.84 0.00 0.00 57.88 58.77 2caq h LEU 192 Cb -0.02 -0.06 -0.02 0.00 0.37 0.00 0.00 40.66 40.93 2caq h LEU 192 CO -0.05 0.32 -0.09 -0.07 -0.34 0.00 0.00 178.44 178.21 2caq h LEU 193 N 0.17 0.70 -0.74 2.25 3.38 -1.19 0.37 115.31 120.25 2caq h LEU 193 Ca 0.06 -0.19 0.00 0.00 0.09 0.00 0.00 57.88 57.85 2caq h LEU 193 Cb 0.14 -0.19 -0.04 0.00 0.09 0.00 0.00 40.66 40.67 2caq h LEU 193 CO -0.01 0.82 0.48 0.00 0.09 0.00 0.00 178.44 179.82 2caq h ALA 194 N 1.25 0.94 0.00 1.53 0.00 -1.10 -3.07 119.26 118.82 2caq h ALA 194 Ca 0.12 -0.06 -0.08 0.00 0.00 0.00 0.00 54.91 54.89 2caq h ALA 194 Cb 0.53 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 2caq h ALA 194 CO 0.03 0.38 -0.38 0.66 0.00 0.00 0.00 179.25 179.94 2caq h SER 195 N 1.01 0.00 -3.00 0.00 4.64 -0.61 -3.39 113.55 112.21 2caq h SER 195 Ca 0.27 0.00 -0.61 0.00 -0.47 0.00 0.00 61.79 60.98 2caq h SER 195 Cb -0.09 0.00 -0.40 0.00 -0.31 0.00 0.00 62.40 61.60 2caq h SER 195 CO -0.06 0.38 -0.74 -0.55 -0.87 0.00 0.00 176.83 174.99 2caq s SER 196 N -6.38 3.46 0.34 4.97 0.15 0.07 -4.95 113.70 111.36 2caq s SER 196 Ca 0.04 -3.29 0.09 0.00 0.70 0.00 0.00 55.95 53.49 2caq s SER 196 Cb 0.08 -1.11 0.84 0.00 -1.71 0.00 0.00 66.02 64.12 2caq s SER 196 CO 0.71 -0.16 1.80 -0.65 1.20 0.00 0.00 173.24 176.14 2caq h PRO 197 N 5.82 0.64 -0.47 5.44 0.11 -1.77 -0.84 132.00 140.94 2caq h PRO 197 Ca 0.14 -0.04 0.06 0.00 0.11 0.00 0.00 66.00 66.28 2caq h PRO 197 Cb 0.85 -0.14 -0.05 0.00 0.11 0.00 0.00 31.00 31.76 2caq h PRO 197 CO 0.55 0.43 0.16 0.00 -0.21 0.00 0.00 178.00 178.93 2caq h ARG 198 N 0.66 0.32 -0.33 1.05 3.08 -1.91 -0.32 114.38 116.94 2caq h ARG 198 Ca 0.55 -0.02 -0.12 0.00 0.07 0.00 0.00 59.98 60.47 2caq h ARG 198 Cb 1.00 -0.07 -0.01 0.00 0.08 0.00 0.00 29.97 30.97 2caq h ARG 198 CO -0.33 0.21 -0.25 1.25 -1.07 0.00 0.00 179.97 179.79 2caq h LEU 199 N 0.33 0.79 -0.55 3.04 5.85 -1.61 -1.98 115.31 121.18 2caq h LEU 199 Ca 0.22 -0.44 0.05 0.00 0.84 0.00 0.00 57.88 58.55 2caq h LEU 199 Cb 0.23 -0.22 -0.05 0.00 0.37 0.00 0.00 40.66 40.99 2caq h LEU 199 CO -0.23 1.07 0.27 0.00 -0.34 0.00 0.00 178.44 179.21 2caq h ALA 200 N 0.75 0.71 -0.50 1.25 0.00 -0.95 0.49 119.26 121.01 2caq h ALA 200 Ca 0.06 0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.97 2caq h ALA 200 Cb 0.81 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.51 2caq h ALA 200 CO 0.07 -0.08 0.20 -0.22 0.00 0.00 0.00 179.25 179.22 2caq h LYS 201 N 0.52 0.75 -0.34 0.00 3.64 -1.04 -1.58 116.57 118.53 2caq h LYS 201 Ca 0.25 -0.14 0.00 0.00 -1.27 0.00 0.00 60.65 59.49 2caq h LYS 201 Cb 0.17 -0.12 -0.02 0.00 -0.41 0.00 0.00 32.23 31.85 2caq h LYS 201 CO -0.18 0.66 0.22 -0.92 -2.27 0.00 0.00 179.45 176.97 2caq h TYR 202 N 0.67 0.43 -0.29 1.91 5.03 -0.85 -0.83 116.97 123.04 2caq h TYR 202 Ca 0.17 0.01 -0.08 0.00 2.58 0.00 0.00 58.73 61.41 2caq h TYR 202 Cb 0.19 -0.14 -0.02 0.00 1.55 0.00 0.00 36.73 38.31 2caq h TYR 202 CO 0.00 0.27 -0.17 -0.07 -1.32 0.00 0.00 178.16 176.88 2caq h LEU 203 N 0.46 0.50 -0.31 2.82 3.38 -0.73 -1.90 115.31 119.53 2caq h LEU 203 Ca 0.12 -0.15 -0.20 0.00 0.09 0.00 0.00 57.88 57.75 2caq h LEU 203 Cb -0.05 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 40.57 2caq h LEU 203 CO -0.03 0.69 -0.72 0.28 0.09 0.00 0.00 178.44 178.76 2caq h SER 204 N 0.47 0.73 0.90 -0.43 0.02 -1.07 -3.26 113.55 110.91 2caq h SER 204 Ca 0.08 -0.46 -0.10 0.00 -0.84 0.00 0.00 61.79 60.47 2caq h SER 204 Cb 0.56 -0.21 -0.01 0.00 0.14 0.00 0.00 62.40 62.87 2caq h SER 204 CO 0.04 1.23 -0.48 0.44 -1.14 0.00 0.00 176.83 176.92 2caq h ASP 205 N 0.43 0.00 -1.61 3.07 3.32 -0.94 -3.47 116.42 117.23 2caq h ASP 205 Ca -0.03 0.00 -0.69 0.00 0.02 0.00 0.00 57.03 56.33 2caq h ASP 205 Cb 1.31 0.00 0.07 0.00 0.22 0.00 0.00 39.33 40.93 2caq h ASP 205 CO 0.14 0.48 0.22 0.54 -1.72 0.00 0.00 179.24 178.89 2caq n ARG 206 N -3.53 0.84 0.00 3.56 1.74 -0.73 -5.09 116.66 113.45 2caq n ARG 206 Ca -0.00 0.30 0.12 0.00 -0.77 0.00 0.00 57.85 57.50 2caq n ARG 206 Cb 0.59 -1.80 0.74 0.00 -1.02 0.00 0.00 32.46 30.96 2caq n ARG 206 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11