#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i27 n PRO 17 N 0.00 1.52 -4.16 1.09 -0.02 -1.26 -4.81 135.00 127.36 3i27 n PRO 17 Ca 0.00 0.55 -0.23 0.00 -2.02 0.00 0.00 63.50 61.80 3i27 n PRO 17 Cb 0.00 -2.17 -0.07 0.00 -0.02 0.00 0.00 33.50 31.25 3i27 n PRO 17 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 3i27 s VAL 18 N -1.26 3.22 -0.18 -1.45 -7.23 -0.02 -4.69 120.40 108.78 3i27 s VAL 18 Ca 0.63 -1.75 -0.01 0.00 -1.81 0.00 0.00 61.98 59.04 3i27 s VAL 18 Cb -0.53 -2.96 -0.00 0.00 0.56 0.00 0.00 36.38 33.45 3i27 s VAL 18 CO 0.56 -0.25 -0.12 -0.89 -0.31 0.00 0.00 175.10 174.10 3i27 s THR 19 N -2.38 2.86 0.26 5.32 2.01 -1.26 0.15 115.64 122.60 3i27 s THR 19 Ca 0.35 -0.69 -0.30 0.00 0.31 0.00 0.00 61.69 61.37 3i27 s THR 19 Cb -0.04 -2.25 -0.14 0.00 0.01 0.00 0.00 72.50 70.09 3i27 s THR 19 CO 0.22 0.49 1.20 -2.65 -0.69 0.00 0.00 174.62 173.18 3i27 n PRO 20 N 4.37 1.64 -3.17 4.92 -0.02 -1.26 -4.91 135.00 136.56 3i27 n PRO 20 Ca -0.19 0.58 -0.42 0.00 -2.02 0.00 0.00 63.50 61.45 3i27 n PRO 20 Cb 0.51 -2.09 -0.07 0.00 -0.02 0.00 0.00 33.50 31.83 3i27 n PRO 20 CO 0.00 0.00 0.00 -0.47 1.98 0.00 0.00 175.50 177.01 3i27 s TYR 21 N -0.63 3.16 -0.08 6.00 6.14 -0.29 -4.83 117.35 126.82 3i27 s TYR 21 Ca 0.63 0.27 -0.29 0.00 0.64 0.00 0.00 57.07 58.32 3i27 s TYR 21 Cb -0.69 -3.04 -0.06 0.00 0.42 0.00 0.00 41.96 38.59 3i27 s TYR 21 CO 0.56 -0.59 1.77 -0.47 0.64 0.00 0.00 175.55 177.46 3i27 s TYR 22 N 2.56 1.77 0.00 4.97 6.14 -1.25 -1.83 117.35 129.71 3i27 s TYR 22 Ca 0.22 0.13 0.00 0.00 0.64 0.00 0.00 57.07 58.06 3i27 s TYR 22 Cb -0.15 -4.01 0.00 0.00 0.42 0.00 0.00 41.96 38.22 3i27 s TYR 22 CO 0.14 -4.11 0.00 0.41 0.64 0.00 0.00 175.55 172.64 3i27 n GLY 23 N 4.47 1.16 3.57 8.97 0.00 -1.26 -4.25 105.19 117.85 3i27 n GLY 23 Ca 0.19 -1.98 -0.30 0.00 0.00 0.00 0.00 46.02 43.93 3i27 n GLY 23 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3i27 s PRO 24 N -1.07 -1.08 0.13 1.61 0.04 -1.26 -3.96 135.00 129.41 3i27 s PRO 24 Ca 0.00 0.13 -0.24 0.00 0.04 0.00 0.00 61.00 60.93 3i27 s PRO 24 Cb 0.00 -1.59 0.08 0.00 0.04 0.00 0.00 34.50 33.03 3i27 s PRO 24 CO 0.00 -3.66 1.10 0.20 0.04 0.00 0.00 177.00 174.68 3i27 s GLY 25 N -3.62 0.04 0.06 0.56 0.00 -1.26 -3.48 107.32 99.62 3i27 s GLY 25 Ca 0.69 -0.23 -0.11 0.00 0.00 0.00 0.00 44.72 45.08 3i27 s GLY 25 CO 0.57 3.13 0.23 -2.38 0.00 0.00 0.00 173.10 174.65 3i27 s HIS 26 N -2.15 0.03 -0.17 1.90 -3.43 -1.26 -4.93 115.29 105.27 3i27 s HIS 26 Ca 0.23 -0.29 0.12 0.00 -0.80 0.00 0.00 55.06 54.32 3i27 s HIS 26 Cb -0.02 0.00 -0.19 0.00 -1.43 0.00 0.00 32.58 30.95 3i27 s HIS 26 CO 0.04 -0.49 0.00 -0.89 -2.00 0.00 0.00 174.74 171.40 3i27 n ILE 27 N 0.43 1.15 -4.56 -5.38 5.41 -1.26 -1.72 119.36 113.43 3i27 n ILE 27 Ca -0.18 -0.65 -0.27 0.00 1.00 0.00 0.00 62.75 62.65 3i27 n ILE 27 Cb 0.60 -0.71 -0.08 0.00 -0.71 0.00 0.00 39.64 38.74 3i27 n ILE 27 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 176.55 176.97 3i27 s THR 28 N -2.40 0.72 0.42 1.39 -4.23 -1.26 -4.61 115.64 105.66 3i27 s THR 28 Ca -0.13 -2.00 0.31 0.00 -1.18 0.00 0.00 61.69 58.69 3i27 s THR 28 Cb 0.05 -2.32 0.33 0.00 1.34 0.00 0.00 72.50 71.91 3i27 s THR 28 CO 0.64 0.00 2.11 2.19 -0.54 0.00 0.00 174.62 179.02 3i27 h PHE 29 N 1.70 0.00 -0.73 3.99 -0.00 -2.02 -3.37 116.94 116.52 3i27 h PHE 29 Ca -0.37 0.00 -0.73 0.00 -0.00 0.00 0.00 57.97 56.88 3i27 h PHE 29 Cb 1.28 0.00 -0.08 0.00 -0.00 0.00 0.00 35.95 37.15 3i27 h PHE 29 CO 1.51 0.08 2.75 -3.47 -0.00 0.00 0.00 178.31 179.18 3i27 n ASP 30 N -3.50 6.24 -4.29 -0.68 -0.08 -1.26 -4.86 116.55 108.12 3i27 n ASP 30 Ca -0.02 -2.95 -0.16 0.00 -1.51 0.00 0.00 54.79 50.16 3i27 n ASP 30 Cb 0.21 -1.51 -0.10 0.00 2.34 0.00 0.00 41.12 42.07 3i27 n ASP 30 CO 0.00 0.00 0.00 -1.66 0.12 0.00 0.00 177.20 175.66 3i27 s TRP 31 N 1.03 1.44 0.08 -0.67 1.48 -1.26 -1.16 118.94 119.88 3i27 s TRP 31 Ca 0.51 -0.72 -0.14 0.00 -1.06 0.00 0.00 56.10 54.69 3i27 s TRP 31 Cb 0.14 -0.72 0.02 0.00 -1.16 0.00 0.00 33.47 31.75 3i27 s TRP 31 CO -0.05 0.15 0.32 0.00 -4.06 0.00 0.00 176.95 173.31 3i27 s GLY 33 N -2.51 1.70 -0.10 0.00 0.00 -0.60 -0.94 107.32 104.87 3i27 s GLY 33 Ca 0.00 -1.46 0.02 0.00 0.00 0.00 0.00 44.72 43.27 3i27 s GLY 33 CO -0.08 -1.47 -0.13 -1.36 0.00 0.00 0.00 173.10 170.06 3i27 s PHE 34 N -1.44 1.73 0.00 1.90 0.08 0.13 -1.49 117.98 118.89 3i27 s PHE 34 Ca 0.21 -0.77 0.00 0.00 0.12 0.00 0.00 56.93 56.48 3i27 s PHE 34 Cb -0.09 -1.28 0.00 0.00 -0.57 0.00 0.00 43.02 41.07 3i27 s PHE 34 CO 0.11 -0.42 0.00 0.41 -0.10 0.00 0.00 175.22 175.22 3i27 n GLY 35 N 4.21 3.83 0.00 4.36 0.00 -0.94 -0.36 105.19 116.29 3i27 n GLY 35 Ca -0.19 -1.00 0.00 0.00 0.00 0.00 0.00 46.02 44.83 3i27 n GLY 35 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3i27 n ASP 36 N 0.00 0.00 -0.25 1.61 3.85 -1.25 -3.26 116.55 117.25 3i27 n ASP 36 Ca 0.00 0.00 0.05 0.00 -0.71 0.00 0.00 54.79 54.13 3i27 n ASP 36 Cb 0.00 0.00 0.29 0.00 -1.35 0.00 0.00 41.12 40.06 3i27 n ASP 36 CO 0.00 0.00 0.00 0.77 -1.01 0.00 0.00 177.20 176.96 3i27 h SER 37 N 0.00 0.81 0.11 -1.12 4.64 -1.87 -2.65 113.55 113.47 3i27 h SER 37 Ca 0.00 0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.33 3i27 h SER 37 Cb 0.00 -0.17 0.00 0.00 -0.31 0.00 0.00 62.40 61.92 3i27 h SER 37 CO 0.00 0.52 0.00 0.54 -0.87 0.00 0.00 176.83 177.02 3i27 n ARG 38 N -4.49 0.36 -0.97 4.77 1.74 -1.26 -1.13 116.66 115.68 3i27 n ARG 38 Ca 0.13 0.06 0.04 0.00 -0.77 0.00 0.00 57.85 57.30 3i27 n ARG 38 Cb 0.22 -1.50 0.05 0.00 -1.02 0.00 0.00 32.46 30.21 3i27 n ARG 38 CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98 3i27 n SER 39 N -1.11 0.94 -4.21 0.55 3.41 -1.02 -0.05 113.62 112.12 3i27 n SER 39 Ca 0.09 -2.37 -0.37 0.00 -0.26 0.00 0.00 58.87 55.96 3i27 n SER 39 Cb 0.08 -0.32 -0.12 0.00 -0.26 0.00 0.00 64.21 63.59 3i27 n SER 39 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3i27 s ASP 40 N -1.98 5.22 0.01 4.04 -1.08 -0.28 -4.72 116.67 117.87 3i27 s ASP 40 Ca 0.25 -1.40 0.27 0.00 -0.52 0.00 0.00 52.55 51.16 3i27 s ASP 40 Cb 0.27 -1.83 1.16 0.00 -1.46 0.00 0.00 42.92 41.06 3i27 s ASP 40 CO -0.09 -0.37 1.87 0.00 0.52 0.00 0.00 175.17 177.10 3i27 n THR 42 N -1.52 0.03 -2.05 0.00 -2.24 -1.26 -4.81 114.28 102.43 3i27 n THR 42 Ca 0.07 -0.11 -0.42 0.00 -2.27 0.00 0.00 64.05 61.32 3i27 n THR 42 Cb 0.32 -0.10 -0.03 0.00 -2.10 0.00 0.00 70.33 68.43 3i27 n THR 42 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 3i27 s ASN 43 N -1.86 6.70 0.44 3.42 3.84 -1.11 -4.92 114.94 121.45 3i27 s ASN 43 Ca 0.39 2.54 0.23 0.00 0.21 0.00 0.00 52.86 56.24 3i27 s ASN 43 Cb 0.19 -2.60 1.22 0.00 -0.55 0.00 0.00 41.25 39.51 3i27 s ASN 43 CO 0.32 -0.71 1.80 -0.65 -2.79 0.00 0.00 177.10 175.07 3i27 h PRO 44 N 5.99 0.27 -0.29 0.43 0.11 -1.91 -1.58 132.00 135.03 3i27 h PRO 44 Ca -0.44 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.65 3i27 h PRO 44 Cb 1.21 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.26 3i27 h PRO 44 CO 0.84 0.18 0.00 1.04 -0.21 0.00 0.00 178.00 179.85 3i27 n GLN 45 N -4.49 2.02 -2.19 1.05 1.13 -1.26 -4.94 117.38 108.69 3i27 n GLN 45 Ca 0.24 -1.55 -0.38 0.00 -1.94 0.00 0.00 57.00 53.37 3i27 n GLN 45 Cb 0.93 -1.42 -0.01 0.00 0.11 0.00 0.00 30.24 29.86 3i27 n GLN 45 CO 0.00 0.00 0.00 0.45 -1.44 0.00 0.00 177.06 176.07 3i27 s SER 46 N -1.42 6.24 0.00 1.08 0.15 -0.60 -1.63 113.70 117.52 3i27 s SER 46 Ca 0.34 2.43 0.18 0.00 0.70 0.00 0.00 55.95 59.60 3i27 s SER 46 Cb 0.19 -2.62 0.62 0.00 -1.71 0.00 0.00 66.02 62.50 3i27 s SER 46 CO 0.27 -0.87 1.46 -0.81 1.20 0.00 0.00 173.24 174.48 3i27 n PRO 47 N -0.22 1.80 0.22 5.44 -0.04 -1.26 -4.89 135.00 136.06 3i27 n PRO 47 Ca 0.06 -1.22 0.05 0.00 -0.04 0.00 0.00 63.50 62.35 3i27 n PRO 47 Cb 0.46 -1.37 0.50 0.00 -0.04 0.00 0.00 33.50 33.05 3i27 n PRO 47 CO 0.00 0.00 0.00 0.52 -0.04 0.00 0.00 175.50 175.98 3i27 h MET 48 N 2.31 0.00 -0.11 0.54 2.86 -1.67 -2.48 114.93 116.38 3i27 h MET 48 Ca 0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 3i27 h MET 48 Cb 0.51 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.17 3i27 h MET 48 CO 0.00 0.20 0.00 -1.13 1.06 0.00 0.00 176.91 177.04 3i27 n SER 49 N -4.25 1.60 -4.83 1.22 3.41 -1.09 -2.67 113.62 107.01 3i27 n SER 49 Ca -0.02 -1.62 -0.37 0.00 -0.26 0.00 0.00 58.87 56.59 3i27 n SER 49 Cb 0.26 -0.06 -0.06 0.00 -0.26 0.00 0.00 64.21 64.09 3i27 n SER 49 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 3i27 s LEU 50 N -1.74 4.46 0.00 1.04 1.43 -0.94 -4.23 118.68 118.71 3i27 s LEU 50 Ca 0.35 1.14 0.22 0.00 -1.03 0.00 0.00 54.13 54.80 3i27 s LEU 50 Cb 0.19 -2.94 -0.13 0.00 0.03 0.00 0.00 46.19 43.34 3i27 s LEU 50 CO 0.29 0.24 0.97 0.47 0.23 0.00 0.00 176.35 178.55 3i27 n ASP 51 N 1.47 1.15 -4.72 2.29 8.00 0.93 -4.28 116.55 121.38 3i27 n ASP 51 Ca -0.10 -1.04 -0.23 0.00 0.71 0.00 0.00 54.79 54.14 3i27 n ASP 51 Cb 0.51 0.85 -0.06 0.00 -0.02 0.00 0.00 41.12 42.41 3i27 n ASP 51 CO 0.00 0.00 0.00 0.27 -0.39 0.00 0.00 177.20 177.08 3i27 s ILE 52 N -2.90 3.90 0.41 0.53 -4.36 -1.22 -3.37 121.20 114.19 3i27 s ILE 52 Ca 0.10 -1.67 -0.27 0.00 -0.26 0.00 0.00 60.65 58.56 3i27 s ILE 52 Cb 0.16 -3.09 -0.09 0.00 1.25 0.00 0.00 42.46 40.69 3i27 s ILE 52 CO 0.80 -0.35 1.43 -2.84 0.24 0.00 0.00 174.94 174.22 3i27 s PRO 53 N -3.72 3.91 0.30 0.37 0.02 -1.26 -4.92 135.00 129.69 3i27 s PRO 53 Ca 0.32 2.43 -0.01 0.00 0.02 0.00 0.00 61.00 63.76 3i27 s PRO 53 Cb -0.07 -2.80 0.45 0.00 0.02 0.00 0.00 34.50 32.10 3i27 s PRO 53 CO 0.22 -0.64 1.93 0.37 -0.33 0.00 0.00 177.00 178.54 3i27 h GLN 54 N 2.66 0.98 0.00 5.54 4.15 -1.98 -2.41 115.11 124.05 3i27 h GLN 54 Ca -0.51 -0.10 0.00 0.00 0.77 0.00 0.00 58.65 58.81 3i27 h GLN 54 Cb 1.25 -0.20 0.00 0.00 0.21 0.00 0.00 27.48 28.74 3i27 h GLN 54 CO 0.63 0.71 0.00 0.00 -1.93 0.00 0.00 178.83 178.24 3i27 n GLN 55 N -4.37 0.13 0.00 1.69 0.00 -1.26 -2.08 117.38 111.49 3i27 n GLN 55 Ca 0.07 0.39 0.13 0.00 0.00 0.00 0.00 57.00 57.60 3i27 n GLN 55 Cb 0.09 -1.76 0.41 0.00 0.00 0.00 0.00 30.24 28.99 3i27 n GLN 55 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.06 178.34 3i27 n LEU 56 N -2.00 1.45 -0.30 2.61 4.77 -0.91 -4.42 117.00 118.20 3i27 n LEU 56 Ca 0.02 -0.46 0.07 0.00 -0.03 0.00 0.00 56.01 55.62 3i27 n LEU 56 Cb 0.19 -0.05 0.23 0.00 -2.33 0.00 0.00 43.42 41.46 3i27 n LEU 56 CO 0.16 0.25 1.12 0.00 -1.33 0.00 0.00 177.39 177.60 3i27 h PRO 58 N 0.68 0.00 0.00 0.00 0.11 -1.83 -1.14 132.00 129.82 3i27 h PRO 58 Ca 0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.58 3i27 h PRO 58 Cb 0.64 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.75 3i27 h PRO 58 CO -0.35 0.00 0.00 0.87 -0.21 0.00 0.00 178.00 178.31 3i27 h LYS 59 N 0.00 0.00 -5.74 1.05 1.79 -1.64 -3.45 116.57 108.58 3i27 h LYS 59 Ca 0.00 0.00 -0.67 0.00 -2.18 0.00 0.00 60.65 57.80 3i27 h LYS 59 Cb 0.35 0.00 -0.09 0.00 -1.58 0.00 0.00 32.23 30.91 3i27 h LYS 59 CO 0.00 0.00 -0.52 -0.06 -1.08 0.00 0.00 179.45 177.79 3i27 s PHE 60 N -3.45 3.46 -0.50 -1.35 0.40 -0.43 -1.56 117.98 114.55 3i27 s PHE 60 Ca 0.04 0.43 -0.13 0.00 -0.60 0.00 0.00 56.93 56.66 3i27 s PHE 60 Cb 0.09 -1.89 0.12 0.00 0.51 0.00 0.00 43.02 41.85 3i27 s PHE 60 CO 0.50 0.66 0.43 0.45 0.70 0.00 0.00 175.22 177.95 3i27 s SER 61 N -0.98 5.99 0.03 1.36 0.15 -0.55 -4.95 113.70 114.74 3i27 s SER 61 Ca 0.14 -1.79 -0.00 0.00 0.70 0.00 0.00 55.95 55.00 3i27 s SER 61 Cb -0.12 -2.13 -0.03 0.00 -1.71 0.00 0.00 66.02 62.04 3i27 s SER 61 CO 0.03 -0.77 -0.03 -0.44 1.20 0.00 0.00 173.24 173.23 3i27 s SER 62 N 3.13 0.38 -0.19 5.45 0.01 -1.26 -2.22 113.70 118.99 3i27 s SER 62 Ca 0.04 -0.72 -0.10 0.00 1.31 0.00 0.00 55.95 56.48 3i27 s SER 62 Cb -0.28 0.14 0.06 0.00 0.21 0.00 0.00 66.02 66.15 3i27 s SER 62 CO 0.02 -0.43 0.45 -0.75 0.41 0.00 0.00 173.24 172.94 3i27 s LYS 63 N -2.54 0.44 0.30 12.44 2.47 -1.20 -4.85 119.74 126.79 3i27 s LYS 63 Ca -0.06 0.85 -0.30 0.00 -1.56 0.00 0.00 55.97 54.91 3i27 s LYS 63 Cb -0.02 -0.00 -0.12 0.00 -1.46 0.00 0.00 37.83 36.23 3i27 s LYS 63 CO -0.05 -0.16 1.49 0.43 0.16 0.00 0.00 175.35 177.22 3i27 n SER 64 N 4.27 3.38 0.00 1.43 7.64 -1.26 -2.29 113.62 126.80 3i27 n SER 64 Ca -0.23 1.16 0.00 0.00 1.01 0.00 0.00 58.87 60.82 3i27 n SER 64 Cb 0.56 -1.53 0.00 0.00 -1.01 0.00 0.00 64.21 62.22 3i27 n SER 64 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 3i27 n SER 65 N 1.76 -2.39 -4.91 6.43 7.64 -1.26 -4.80 113.62 116.09 3i27 n SER 65 Ca 0.08 0.00 -0.20 0.00 1.01 0.00 0.00 58.87 59.76 3i27 n SER 65 Cb 0.35 -2.01 -0.02 0.00 -1.01 0.00 0.00 64.21 61.52 3i27 n SER 65 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 3i27 s SER 66 N -2.18 5.39 0.13 6.43 0.15 -0.97 -4.37 113.70 118.29 3i27 s SER 66 Ca 0.00 -0.50 -0.11 0.00 0.70 0.00 0.00 55.95 56.04 3i27 s SER 66 Cb 0.00 -0.85 0.01 0.00 -1.71 0.00 0.00 66.02 63.47 3i27 s SER 66 CO 0.00 -0.52 0.29 -0.94 1.20 0.00 0.00 173.24 173.27 3i27 s SER 67 N -4.12 -0.01 0.32 5.45 1.04 -1.26 -4.64 113.70 110.48 3i27 s SER 67 Ca 0.46 -0.65 0.02 0.00 0.48 0.00 0.00 55.95 56.26 3i27 s SER 67 Cb -0.06 0.42 0.53 0.00 0.10 0.00 0.00 66.02 67.01 3i27 s SER 67 CO 0.29 -0.84 1.86 0.24 0.98 0.00 0.00 173.24 175.77 3i27 h MET 68 N 2.56 0.64 0.37 4.02 2.86 -1.94 0.00 114.93 123.44 3i27 h MET 68 Ca -0.33 -0.13 -0.02 0.00 -2.06 0.00 0.00 59.70 57.16 3i27 h MET 68 Cb 1.23 -0.10 0.00 0.00 0.06 0.00 0.00 31.60 32.79 3i27 h MET 68 CO 0.50 0.62 -0.18 0.35 1.06 0.00 0.00 176.91 179.27 3i27 h PHE 69 N 0.62 -0.46 -0.55 -0.22 3.57 -1.97 -2.77 116.94 115.17 3i27 h PHE 69 Ca 0.14 -0.01 0.11 0.00 3.53 0.00 0.00 57.97 61.73 3i27 h PHE 69 Cb 0.31 0.15 -0.09 0.00 2.79 0.00 0.00 35.95 39.11 3i27 h PHE 69 CO 0.01 -0.13 0.01 1.25 -2.23 0.00 0.00 178.31 177.23 3i27 h LEU 70 N -0.85 -0.21 -1.18 0.59 6.46 -1.92 -2.33 115.31 115.88 3i27 h LEU 70 Ca -0.05 0.13 -0.09 0.00 -0.12 0.00 0.00 57.88 57.75 3i27 h LEU 70 Cb 0.53 0.22 -0.01 0.00 -0.73 0.00 0.00 40.66 40.68 3i27 h LEU 70 CO 0.08 -0.08 -0.39 0.28 -0.62 0.00 0.00 178.44 177.71 3i27 h SER 71 N 0.13 0.04 -0.07 1.25 0.02 -1.02 -1.50 113.55 112.40 3i27 h SER 71 Ca 0.28 -0.01 -0.00 0.00 -0.84 0.00 0.00 61.79 61.21 3i27 h SER 71 Cb 0.44 -0.01 -0.00 0.00 0.14 0.00 0.00 62.40 62.96 3i27 h SER 71 CO -0.45 0.43 0.03 0.25 -1.14 0.00 0.00 176.83 175.94 3i27 h LEU 72 N 0.03 0.10 -0.02 5.07 5.85 -1.12 -3.29 115.31 121.94 3i27 h LEU 72 Ca 0.00 -0.17 -0.21 0.00 0.84 0.00 0.00 57.88 58.33 3i27 h LEU 72 Cb 0.71 -0.03 -0.03 0.00 0.37 0.00 0.00 40.66 41.69 3i27 h LEU 72 CO 0.05 0.24 -1.01 0.45 -0.34 0.00 0.00 178.44 177.84 3i27 h HIS 73 N -0.06 0.06 -4.10 1.25 3.86 -1.40 -3.41 115.15 111.35 3i27 h HIS 73 Ca 0.02 -0.04 -0.48 0.00 -1.16 0.00 0.00 60.37 58.71 3i27 h HIS 73 Cb 0.18 -0.00 -0.30 0.00 1.06 0.00 0.00 27.41 28.35 3i27 h HIS 73 CO -0.01 1.02 -0.81 -1.58 0.86 0.00 0.00 177.93 177.40 3i27 s TRP 74 N -2.74 1.23 0.06 2.45 0.51 -0.58 -0.01 118.94 119.87 3i27 s TRP 74 Ca 0.00 -0.26 -0.01 0.00 -2.12 0.00 0.00 56.10 53.71 3i27 s TRP 74 Cb 0.10 -0.81 0.01 0.00 -0.81 0.00 0.00 33.47 31.96 3i27 s TRP 74 CO 0.83 -0.05 0.08 0.09 -0.51 0.00 0.00 176.95 177.39 3i27 n ASN 75 N 2.88 0.03 -4.71 2.95 3.02 -1.26 -4.41 115.26 113.76 3i27 n ASN 75 Ca -0.15 -1.05 -0.42 0.00 -0.03 0.00 0.00 54.58 52.93 3i27 n ASN 75 Cb 0.55 -0.06 -0.03 0.00 -0.61 0.00 0.00 39.78 39.63 3i27 n ASN 75 CO 0.00 0.00 0.00 0.20 -2.62 0.00 0.00 177.26 174.84 3i27 s ASN 76 N -1.32 6.74 0.30 6.41 0.01 -1.26 -4.53 114.94 121.30 3i27 s ASN 76 Ca 0.05 2.37 0.04 0.00 -0.71 0.00 0.00 52.86 54.61 3i27 s ASN 76 Cb -0.00 -2.58 -0.03 0.00 0.41 0.00 0.00 41.25 39.05 3i27 s ASN 76 CO 0.03 -0.75 0.21 -1.00 -1.51 0.00 0.00 177.10 174.08 3i27 s HIS 77 N 1.68 1.60 -0.40 2.20 3.76 -0.44 -4.97 115.29 118.72 3i27 s HIS 77 Ca 0.67 -1.50 0.19 0.00 -0.15 0.00 0.00 55.06 54.27 3i27 s HIS 77 Cb -0.38 -0.75 0.96 0.00 1.11 0.00 0.00 32.58 33.52 3i27 s HIS 77 CO 0.30 -0.69 1.59 -1.13 -0.85 0.00 0.00 174.74 173.96 3i27 n SER 78 N -1.11 0.50 -0.12 1.40 3.41 -1.26 -1.01 113.62 115.43 3i27 n SER 78 Ca 0.04 0.70 0.03 0.00 -0.26 0.00 0.00 58.87 59.37 3i27 n SER 78 Cb 0.64 -0.77 0.04 0.00 -0.26 0.00 0.00 64.21 63.85 3i27 n SER 78 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 3i27 n SER 79 N -2.13 1.26 -3.90 4.04 7.64 -1.26 -4.99 113.62 114.27 3i27 n SER 79 Ca -0.00 -2.09 -0.30 0.00 1.01 0.00 0.00 58.87 57.48 3i27 n SER 79 Cb 0.08 -0.16 -0.15 0.00 -1.01 0.00 0.00 64.21 62.97 3i27 n SER 79 CO 0.00 0.00 0.00 -0.36 -3.01 0.00 0.00 175.04 171.67 3i27 s PHE 80 N -1.11 2.58 -0.58 1.43 0.40 -0.18 -5.07 117.98 115.46 3i27 s PHE 80 Ca 0.09 -2.10 -0.20 0.00 -0.60 0.00 0.00 56.93 54.13 3i27 s PHE 80 Cb 0.08 -1.99 0.09 0.00 0.51 0.00 0.00 43.02 41.70 3i27 s PHE 80 CO 0.01 -0.85 0.73 0.08 0.70 0.00 0.00 175.22 175.89 3i27 s VAL 81 N 1.32 4.75 0.12 -0.44 1.01 -1.26 -1.32 120.40 124.58 3i27 s VAL 81 Ca 0.03 -0.79 -0.05 0.00 0.00 0.00 0.00 61.98 61.17 3i27 s VAL 81 Cb -0.18 -4.48 -0.05 0.00 0.00 0.00 0.00 36.38 31.66 3i27 s VAL 81 CO -0.12 -1.11 0.35 -0.55 0.00 0.00 0.00 175.10 173.67 3i27 s SER 82 N 3.45 6.49 -0.03 3.32 0.15 -1.26 -4.12 113.70 121.70 3i27 s SER 82 Ca 0.14 0.57 -0.03 0.00 0.70 0.00 0.00 55.95 57.32 3i27 s SER 82 Cb -0.22 -2.08 0.01 0.00 -1.71 0.00 0.00 66.02 62.01 3i27 s SER 82 CO 0.08 0.09 0.09 -0.47 1.20 0.00 0.00 173.24 174.23 3i27 s TYR 83 N -1.59 -0.06 -1.39 3.44 6.04 -1.26 -4.80 117.35 117.73 3i27 s TYR 83 Ca 0.39 0.14 -0.12 0.00 0.04 0.00 0.00 57.07 57.52 3i27 s TYR 83 Cb -0.12 0.01 0.09 0.00 -1.04 0.00 0.00 41.96 40.89 3i27 s TYR 83 CO 0.24 -0.08 2.10 -0.25 -1.54 0.00 0.00 175.55 176.01 3i27 n ASP 84 N 2.76 4.32 -4.58 4.32 8.00 -1.26 -4.90 116.55 125.20 3i27 n ASP 84 Ca -0.14 -2.94 -0.44 0.00 0.71 0.00 0.00 54.79 51.97 3i27 n ASP 84 Cb 0.59 -1.59 -0.01 0.00 -0.02 0.00 0.00 41.12 40.08 3i27 n ASP 84 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 3i27 n TYR 85 N 5.29 1.21 -3.36 1.24 4.01 -1.26 -4.80 117.16 119.49 3i27 n TYR 85 Ca 0.47 0.70 0.02 0.00 -0.16 0.00 0.00 57.90 58.94 3i27 n TYR 85 Cb 0.38 -2.24 -0.03 0.00 -0.31 0.00 0.00 39.34 37.14 3i27 n TYR 85 CO 0.00 0.00 0.00 0.12 -0.46 0.00 0.00 176.86 176.52 3i27 s PHE 86 N -1.08 -0.83 0.10 -0.72 5.36 -1.26 -1.14 117.98 118.41 3i27 s PHE 86 Ca 0.59 1.27 -0.21 0.00 -0.96 0.00 0.00 56.93 57.62 3i27 s PHE 86 Cb -0.70 0.43 0.05 0.00 -0.34 0.00 0.00 43.02 42.47 3i27 s PHE 86 CO 0.60 -0.43 0.50 1.21 -1.46 0.00 0.00 175.22 175.64 3i27 s ASN 87 N 2.64 -0.41 -0.05 6.13 3.84 -0.83 -4.68 114.94 121.57 3i27 s ASN 87 Ca -0.00 -0.01 0.03 0.00 0.21 0.00 0.00 52.86 53.09 3i27 s ASN 87 Cb -0.08 0.51 0.01 0.00 -0.55 0.00 0.00 41.25 41.13 3i27 s ASN 87 CO -0.17 -0.82 -0.14 0.00 -2.79 0.00 0.00 177.10 173.19 3i27 s GLY 89 N 0.39 -0.02 0.15 0.00 0.00 -0.08 -4.50 107.32 103.27 3i27 s GLY 89 Ca -0.10 2.91 -0.16 0.00 0.00 0.00 0.00 44.72 47.37 3i27 s GLY 89 CO 0.03 1.91 1.79 -2.08 0.00 0.00 0.00 173.10 174.75 3i27 h VAL 90 N 3.57 1.12 -2.83 1.40 2.07 -1.40 -3.42 116.25 116.77 3i27 h VAL 90 Ca -0.28 -0.27 -0.64 0.00 0.82 0.00 0.00 66.70 66.33 3i27 h VAL 90 Cb 1.18 0.57 -0.06 0.00 -1.52 0.00 0.00 31.29 31.46 3i27 h VAL 90 CO 0.13 0.12 -0.42 -1.61 0.02 0.00 0.00 177.57 175.82 3i27 s GLU 91 N -6.04 3.54 -0.02 1.57 2.02 -0.82 -4.85 118.70 114.09 3i27 s GLU 91 Ca -0.13 -0.10 0.00 0.00 0.02 0.00 0.00 54.97 54.77 3i27 s GLU 91 Cb 0.11 -3.12 0.03 0.00 0.10 0.00 0.00 34.13 31.24 3i27 s GLU 91 CO 0.73 0.69 0.02 0.15 0.02 0.00 0.00 175.26 176.87 3i27 s LYS 92 N -1.55 0.12 -0.18 1.61 1.02 -1.26 -1.20 119.74 118.30 3i27 s LYS 92 Ca 0.24 0.13 -0.01 0.00 0.02 0.00 0.00 55.97 56.35 3i27 s LYS 92 Cb -0.13 -0.35 0.00 0.00 -0.52 0.00 0.00 37.83 36.83 3i27 s LYS 92 CO 0.13 -0.15 -0.13 0.08 -0.92 0.00 0.00 175.35 174.36 3i27 s VAL 93 N 1.02 2.73 -0.21 3.17 1.01 -0.12 -0.83 120.40 127.18 3i27 s VAL 93 Ca -0.09 -0.73 -0.06 0.00 0.00 0.00 0.00 61.98 61.10 3i27 s VAL 93 Cb -0.13 -2.19 -0.03 0.00 0.00 0.00 0.00 36.38 34.04 3i27 s VAL 93 CO -0.02 0.49 0.03 -0.36 0.00 0.00 0.00 175.10 175.24 3i27 s PHE 94 N 1.15 3.08 -0.39 5.22 0.08 0.12 -0.69 117.98 126.55 3i27 s PHE 94 Ca 0.01 -0.37 0.09 0.00 0.12 0.00 0.00 56.93 56.78 3i27 s PHE 94 Cb -0.14 -2.13 0.27 0.00 -0.57 0.00 0.00 43.02 40.45 3i27 s PHE 94 CO -0.05 -0.22 0.58 0.98 -0.10 0.00 0.00 175.22 176.41 3i27 n TYR 95 N 4.35 -0.09 -3.94 0.36 9.36 0.51 -0.85 117.16 126.87 3i27 n TYR 95 Ca -0.17 -3.64 -0.10 0.00 3.32 0.00 0.00 57.90 57.31 3i27 n TYR 95 Cb 0.52 -0.37 -0.02 0.00 -0.63 0.00 0.00 39.34 38.83 3i27 n TYR 95 CO 0.00 0.00 0.00 -1.83 0.22 0.00 0.00 176.86 175.25 3i27 s GLU 96 N -1.53 1.85 0.00 2.98 4.04 -1.26 -3.78 118.70 121.00 3i27 s GLU 96 Ca 0.36 -1.35 0.00 0.00 0.04 0.00 0.00 54.97 54.03 3i27 s GLU 96 Cb 0.21 0.54 0.00 0.00 0.02 0.00 0.00 34.13 34.90 3i27 s GLU 96 CO -0.10 -0.82 0.00 0.41 -1.84 0.00 0.00 175.26 172.91 3i27 n GLY 97 N -0.47 1.21 0.21 -3.83 0.00 -1.26 -4.82 105.19 96.22 3i27 n GLY 97 Ca -0.03 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.04 3i27 n GLY 97 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 3i27 h VAL 98 N 0.00 1.08 0.00 1.61 3.04 -1.91 -2.68 116.25 117.39 3i27 h VAL 98 Ca 0.00 -1.06 0.00 0.00 -1.01 0.00 0.00 66.70 64.63 3i27 h VAL 98 Cb 0.00 1.59 0.00 0.00 -2.01 0.00 0.00 31.29 30.87 3i27 h VAL 98 CO 0.00 0.29 0.00 0.59 -1.01 0.00 0.00 177.57 177.44 3i27 n ASN 99 N -4.00 0.00 -3.87 3.17 3.02 -1.26 -2.86 115.26 109.46 3i27 n ASN 99 Ca -0.02 0.11 -0.30 0.00 -0.03 0.00 0.00 54.58 54.34 3i27 n ASN 99 Cb 0.36 -0.31 -0.14 0.00 -0.61 0.00 0.00 39.78 39.08 3i27 n ASN 99 CO 0.00 0.00 0.00 0.12 -2.62 0.00 0.00 177.26 174.76 3i27 s PHE 100 N -2.62 2.79 0.29 3.10 5.36 -1.01 -4.90 117.98 120.99 3i27 s PHE 100 Ca 0.14 -2.67 0.05 0.00 -0.96 0.00 0.00 56.93 53.49 3i27 s PHE 100 Cb 0.11 -2.42 -0.03 0.00 -0.34 0.00 0.00 43.02 40.33 3i27 s PHE 100 CO 0.25 -0.84 0.23 -1.12 -1.46 0.00 0.00 175.22 172.28 3i27 s SER 101 N 0.59 1.17 0.44 6.13 0.01 -1.14 -4.99 113.70 115.92 3i27 s SER 101 Ca 0.14 -1.64 0.23 0.00 1.31 0.00 0.00 55.95 55.99 3i27 s SER 101 Cb -0.22 0.50 1.22 0.00 0.21 0.00 0.00 66.02 67.73 3i27 s SER 101 CO -0.07 -0.99 1.79 -0.65 0.41 0.00 0.00 173.24 173.72 3i27 h PRO 102 N 2.29 0.28 -1.00 12.44 0.11 -1.79 0.64 132.00 144.97 3i27 h PRO 102 Ca -0.29 -0.02 0.36 0.00 0.11 0.00 0.00 66.00 66.17 3i27 h PRO 102 Cb 1.24 -0.06 -0.16 0.00 0.11 0.00 0.00 31.00 32.12 3i27 h PRO 102 CO 0.42 0.18 0.54 -0.09 -0.21 0.00 0.00 178.00 178.84 3i27 h ARG 103 N 0.28 0.16 0.00 1.05 2.43 -1.78 0.58 114.38 117.10 3i27 h ARG 103 Ca 0.57 -0.01 -0.03 0.00 -0.81 0.00 0.00 59.98 59.70 3i27 h ARG 103 Cb 1.67 -0.04 -0.00 0.00 -0.42 0.00 0.00 29.97 31.18 3i27 h ARG 103 CO -0.22 0.11 -0.15 -0.22 -1.51 0.00 0.00 179.97 177.98 3i27 h LYS 104 N 0.17 0.00 -5.05 0.20 3.64 -1.19 -3.47 116.57 110.87 3i27 h LYS 104 Ca 0.78 0.00 -0.40 0.00 -1.27 0.00 0.00 60.65 59.76 3i27 h LYS 104 Cb 1.92 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 33.74 3i27 h LYS 104 CO -0.69 0.15 -0.60 1.04 -2.27 0.00 0.00 179.45 177.09 3i27 n GLN 105 N -3.64 -4.41 -3.09 1.90 1.13 0.19 -4.97 117.38 104.50 3i27 n GLN 105 Ca -0.01 0.70 -0.39 0.00 -1.94 0.00 0.00 57.00 55.35 3i27 n GLN 105 Cb 0.28 -5.51 -0.05 0.00 0.11 0.00 0.00 30.24 25.07 3i27 n GLN 105 CO 0.00 0.00 0.00 -0.47 -1.44 0.00 0.00 177.06 175.15 3i27 s TYR 106 N -3.08 3.74 0.22 1.08 5.04 -1.26 -4.96 117.35 118.13 3i27 s TYR 106 Ca 0.38 1.37 -0.14 0.00 -2.44 0.00 0.00 57.07 56.24 3i27 s TYR 106 Cb -0.18 -2.71 0.00 0.00 0.35 0.00 0.00 41.96 39.42 3i27 s TYR 106 CO 0.46 0.36 0.46 -1.54 -1.34 0.00 0.00 175.55 173.95 3i27 s SER 107 N -0.32 -0.11 0.09 4.32 1.04 -1.26 -4.02 113.70 113.44 3i27 s SER 107 Ca 0.35 -0.80 0.00 0.00 0.48 0.00 0.00 55.95 55.97 3i27 s SER 107 Cb -0.20 0.56 0.00 0.00 0.10 0.00 0.00 66.02 66.48 3i27 s SER 107 CO 0.21 -1.08 0.00 0.00 0.98 0.00 0.00 173.24 173.34 3i27 n TRP 109 N -3.34 0.00 0.92 0.00 7.02 -1.26 -0.08 117.44 120.70 3i27 n TRP 109 Ca 0.00 0.00 0.09 0.00 -1.02 0.00 0.00 57.50 56.57 3i27 n TRP 109 Cb 0.13 0.00 0.28 0.00 -2.42 0.00 0.00 31.31 29.29 3i27 n TRP 109 CO 0.00 0.00 0.00 -0.25 -2.02 0.00 0.00 177.69 175.42 3i27 n ASP 110 N 0.00 2.05 0.28 -0.99 8.00 -0.62 -4.23 116.55 121.04 3i27 n ASP 110 Ca 0.00 -1.86 0.17 0.00 0.71 0.00 0.00 54.79 53.81 3i27 n ASP 110 Cb 0.00 -0.19 0.74 0.00 -0.02 0.00 0.00 41.12 41.65 3i27 n ASP 110 CO 0.00 0.00 0.00 1.05 -0.39 0.00 0.00 177.20 177.86 3i27 h GLU 111 N 2.50 0.00 -0.66 -1.24 9.09 -1.90 -3.47 114.58 118.90 3i27 h GLU 111 Ca 0.00 0.00 0.07 0.00 0.05 0.00 0.00 59.36 59.48 3i27 h GLU 111 Cb 0.56 0.00 -0.03 0.00 -1.65 0.00 0.00 28.75 27.63 3i27 h GLU 111 CO 0.00 0.03 -0.19 0.41 0.05 0.00 0.00 179.01 179.31 3i27 n GLY 112 N -0.15 -2.25 0.36 1.06 0.00 -1.26 -2.20 105.19 100.75 3i27 n GLY 112 Ca -0.00 -1.41 0.10 0.00 0.00 0.00 0.00 46.02 44.71 3i27 n GLY 112 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 3i27 h VAL 113 N -0.27 0.92 -0.33 1.61 2.07 -1.94 -2.03 116.25 116.29 3i27 h VAL 113 Ca -0.02 -0.21 -0.02 0.00 0.82 0.00 0.00 66.70 67.27 3i27 h VAL 113 Cb 0.26 0.25 -0.01 0.00 -1.52 0.00 0.00 31.29 30.27 3i27 h VAL 113 CO 0.01 0.11 0.14 0.44 0.02 0.00 0.00 177.57 178.30 3i27 h ASP 114 N 0.62 0.44 -1.01 0.57 5.19 -1.89 -1.98 116.42 118.36 3i27 h ASP 114 Ca 0.34 -0.15 0.24 0.00 -0.62 0.00 0.00 57.03 56.84 3i27 h ASP 114 Cb 0.50 -0.11 -0.10 0.00 0.18 0.00 0.00 39.33 39.80 3i27 h ASP 114 CO -0.12 0.47 0.63 1.23 -3.12 0.00 0.00 179.24 178.33 3i27 h GLY 115 N 0.39 1.42 1.85 2.75 0.00 -0.88 0.10 103.07 108.69 3i27 h GLY 115 Ca 0.11 -0.26 -0.21 0.00 0.00 0.00 0.00 47.33 46.97 3i27 h GLY 115 CO -0.01 -0.12 -0.97 1.49 0.00 0.00 0.00 176.54 176.93 3i27 h TRP 116 N 0.51 0.21 -0.91 5.60 4.06 -1.25 -1.87 115.95 122.31 3i27 h TRP 116 Ca 0.58 -0.13 -0.01 0.00 2.06 0.00 0.00 58.89 61.39 3i27 h TRP 116 Cb 1.28 -0.02 -0.04 0.00 -1.00 0.00 0.00 29.16 29.38 3i27 h TRP 116 CO -0.00 1.01 0.52 0.82 -3.56 0.00 0.00 178.44 177.23 3i27 h ILE 117 N 0.06 1.26 -0.43 1.49 1.08 -0.44 -0.52 117.51 120.00 3i27 h ILE 117 Ca -0.05 -0.60 0.04 0.00 -0.39 0.00 0.00 64.86 63.86 3i27 h ILE 117 Cb 1.65 0.01 -0.04 0.00 -3.07 0.00 0.00 36.82 35.37 3i27 h ILE 117 CO 0.14 0.28 0.20 -0.08 -0.69 0.00 0.00 178.15 178.00 3i27 h GLU 118 N 1.26 0.39 -0.46 2.37 4.57 -0.79 -1.00 114.58 120.92 3i27 h GLU 118 Ca 0.32 -0.02 -0.03 0.00 -1.18 0.00 0.00 59.36 58.45 3i27 h GLU 118 Cb -0.01 -0.09 -0.02 0.00 -0.16 0.00 0.00 28.75 28.47 3i27 h GLU 118 CO -0.06 0.26 0.17 -0.07 -1.18 0.00 0.00 179.01 178.14 3i27 h LEU 119 N 0.40 0.65 -0.26 1.64 3.38 -1.05 -1.85 115.31 118.23 3i27 h LEU 119 Ca 0.19 -0.18 0.06 0.00 0.09 0.00 0.00 57.88 58.04 3i27 h LEU 119 Cb 0.11 -0.17 -0.07 0.00 0.09 0.00 0.00 40.66 40.62 3i27 h LEU 119 CO -0.15 0.65 -0.24 0.50 0.09 0.00 0.00 178.44 179.30 3i27 h LYS 120 N 0.61 -0.23 -0.58 1.13 3.64 -0.85 0.06 116.57 120.35 3i27 h LYS 120 Ca 0.15 0.02 0.08 0.00 -1.27 0.00 0.00 60.65 59.63 3i27 h LYS 120 Cb 0.22 0.05 -0.06 0.00 -0.41 0.00 0.00 32.23 32.02 3i27 h LYS 120 CO -0.01 -0.15 0.24 1.15 -2.27 0.00 0.00 179.45 178.41 3i27 h THR 121 N -0.24 0.83 -0.77 1.00 2.02 -0.99 -0.72 112.91 114.04 3i27 h THR 121 Ca 0.14 -0.15 -0.04 0.00 0.77 0.00 0.00 66.41 67.13 3i27 h THR 121 Cb 0.46 0.34 -0.03 0.00 -1.74 0.00 0.00 68.15 67.18 3i27 h THR 121 CO -0.40 0.08 0.34 0.03 0.37 0.00 0.00 175.52 175.94 3i27 h ARG 122 N 0.45 1.13 -0.19 6.66 3.08 -0.78 -0.88 114.38 123.84 3i27 h ARG 122 Ca 0.28 -0.18 -0.01 0.00 0.07 0.00 0.00 59.98 60.15 3i27 h ARG 122 Cb 0.31 -0.19 -0.01 0.00 0.08 0.00 0.00 29.97 30.15 3i27 h ARG 122 CO -0.26 0.89 0.09 0.35 -1.07 0.00 0.00 179.97 179.98 3i27 h PHE 123 N 1.10 0.27 -0.24 3.04 3.57 -0.29 -2.36 116.94 122.03 3i27 h PHE 123 Ca 0.26 -0.01 -0.12 0.00 3.53 0.00 0.00 57.97 61.63 3i27 h PHE 123 Cb 0.16 -0.08 -0.01 0.00 2.79 0.00 0.00 35.95 38.81 3i27 h PHE 123 CO 0.01 0.28 -0.35 1.88 -2.23 0.00 0.00 178.31 177.90 3i27 h TYR 124 N 0.18 0.62 0.18 0.41 0.05 -0.93 0.83 116.97 118.32 3i27 h TYR 124 Ca 0.07 -0.16 0.00 0.00 0.05 0.00 0.00 58.73 58.68 3i27 h TYR 124 Cb 0.11 -0.14 -0.01 0.00 1.01 0.00 0.00 36.73 37.70 3i27 h TYR 124 CO -0.03 0.82 -0.15 1.15 -1.05 0.00 0.00 178.16 178.90 3i27 h THR 125 N 0.45 0.66 -0.51 -2.88 2.02 -1.16 -0.63 112.91 110.87 3i27 h THR 125 Ca 0.05 0.00 -0.03 0.00 0.77 0.00 0.00 66.41 67.20 3i27 h THR 125 Cb 0.83 0.66 -0.02 0.00 -1.74 0.00 0.00 68.15 67.88 3i27 h THR 125 CO 0.07 0.00 0.20 0.50 0.37 0.00 0.00 175.52 176.66 3i27 h LYS 126 N -0.35 0.76 -0.35 6.66 1.63 -1.10 -0.44 116.57 123.37 3i27 h LYS 126 Ca -0.01 -0.14 -0.00 0.00 -0.85 0.00 0.00 60.65 59.65 3i27 h LYS 126 Cb 0.32 -0.12 -0.02 0.00 -0.60 0.00 0.00 32.23 31.81 3i27 h LYS 126 CO -0.02 0.67 0.21 1.25 -3.45 0.00 0.00 179.45 178.12 3i27 h LEU 127 N 0.68 0.42 -0.13 5.20 5.85 -0.79 -0.86 115.31 125.67 3i27 h LEU 127 Ca 0.17 -0.05 0.00 0.00 0.84 0.00 0.00 57.88 58.84 3i27 h LEU 127 Cb 0.20 -0.11 -0.01 0.00 0.37 0.00 0.00 40.66 41.12 3i27 h LEU 127 CO -0.01 0.34 0.09 1.88 -0.34 0.00 0.00 178.44 180.40 3i27 h TYR 128 N 0.46 0.17 -0.09 1.25 0.05 -0.87 -0.48 116.97 117.45 3i27 h TYR 128 Ca 0.13 0.00 0.04 0.00 0.05 0.00 0.00 58.73 58.95 3i27 h TYR 128 Cb -0.00 -0.06 -0.05 0.00 1.01 0.00 0.00 36.73 37.63 3i27 h TYR 128 CO -0.04 0.12 -0.20 1.96 -1.05 0.00 0.00 178.16 178.94 3i27 h GLN 129 N 0.17 -0.27 -0.55 4.88 4.20 -0.96 -2.75 115.11 119.83 3i27 h GLN 129 Ca 0.05 0.02 -0.05 0.00 0.06 0.00 0.00 58.65 58.72 3i27 h GLN 129 Cb -0.01 0.06 -0.02 0.00 0.30 0.00 0.00 27.48 27.81 3i27 h GLN 129 CO -0.01 -0.18 0.14 0.52 -0.67 0.00 0.00 178.83 178.63 3i27 h MET 130 N -0.28 0.88 -0.47 1.46 2.86 -1.02 -2.88 114.93 115.48 3i27 h MET 130 Ca 0.09 -0.21 0.14 0.00 -2.06 0.00 0.00 59.70 57.66 3i27 h MET 130 Cb 0.40 -0.12 -0.02 0.00 0.06 0.00 0.00 31.60 31.93 3i27 h MET 130 CO -0.26 0.82 0.36 0.00 1.06 0.00 0.00 176.91 178.90 3i27 h ALA 131 N 1.02 2.38 0.00 6.32 0.00 -0.80 -2.73 119.26 125.44 3i27 h ALA 131 Ca 0.17 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 55.04 3i27 h ALA 131 Cb 0.33 0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.15 3i27 h ALA 131 CO 0.00 -0.60 -0.13 1.79 0.00 0.00 0.00 179.25 180.31 3i27 h THR 132 N 0.00 0.84 -0.38 0.00 1.35 -1.27 -2.14 112.91 111.32 3i27 h THR 132 Ca 0.22 -0.48 -0.05 0.00 -0.55 0.00 0.00 66.41 65.54 3i27 h THR 132 Cb 0.95 1.28 -0.03 0.00 -1.73 0.00 0.00 68.15 68.61 3i27 h THR 132 CO -0.00 0.13 0.03 0.35 -0.25 0.00 0.00 175.52 175.77 3i27 n THR 133 N -4.01 2.47 -4.31 6.82 -2.24 -1.03 -1.88 114.28 110.10 3i27 n THR 133 Ca -0.02 -1.91 -0.18 0.00 -2.27 0.00 0.00 64.05 59.66 3i27 n THR 133 Cb 0.21 -0.28 -0.10 0.00 -2.10 0.00 0.00 70.33 68.06 3i27 n THR 133 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 3i27 s SER 134 N -1.76 2.37 -0.25 3.42 0.01 -0.80 -1.66 113.70 115.02 3i27 s SER 134 Ca 0.46 -0.94 -0.13 0.00 1.31 0.00 0.00 55.95 56.65 3i27 s SER 134 Cb 0.37 -0.11 -0.11 0.00 0.21 0.00 0.00 66.02 66.39 3i27 s SER 134 CO 0.09 -0.16 -0.33 -1.14 0.41 0.00 0.00 173.24 172.11 3i27 n ARG 135 N -0.01 0.54 -3.78 12.44 0.63 -1.26 -4.75 116.66 120.48 3i27 n ARG 135 Ca -0.11 0.24 -0.36 0.00 -0.92 0.00 0.00 57.85 56.69 3i27 n ARG 135 Cb 0.59 -1.41 -0.07 0.00 0.45 0.00 0.00 32.46 32.02 3i27 n ARG 135 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 3i27 s ILE 137 N -0.38 1.44 -0.13 0.00 1.01 -0.30 -2.90 121.20 119.95 3i27 s ILE 137 Ca 0.13 -0.69 0.00 0.00 0.00 0.00 0.00 60.65 60.09 3i27 s ILE 137 Cb -0.12 -1.46 0.02 0.00 0.01 0.00 0.00 42.46 40.92 3i27 s ILE 137 CO 0.02 0.31 -0.11 -0.75 0.00 0.00 0.00 174.94 174.41 3i27 s LYS 138 N 1.52 1.92 -0.18 2.79 2.20 0.18 -1.96 119.74 126.20 3i27 s LYS 138 Ca 0.03 -0.41 -0.29 0.00 -0.36 0.00 0.00 55.97 54.93 3i27 s LYS 138 Cb -0.14 -1.82 -0.02 0.00 -1.51 0.00 0.00 37.83 34.34 3i27 s LYS 138 CO -0.09 -0.22 1.33 -1.17 -0.36 0.00 0.00 175.35 174.84 3i27 s LEU 139 N 1.51 4.12 0.19 5.43 2.96 -0.29 -0.64 118.68 131.96 3i27 s LEU 139 Ca 0.03 1.65 0.11 0.00 -0.22 0.00 0.00 54.13 55.71 3i27 s LEU 139 Cb -0.13 -3.54 -0.04 0.00 0.50 0.00 0.00 46.19 42.98 3i27 s LEU 139 CO -0.08 -0.87 -0.23 0.27 -1.32 0.00 0.00 176.35 174.12 3i27 s ILE 140 N 3.82 2.43 0.15 6.68 -4.36 -0.24 -4.68 121.20 125.01 3i27 s ILE 140 Ca 0.58 -1.99 -0.13 0.00 -0.26 0.00 0.00 60.65 58.84 3i27 s ILE 140 Cb -0.22 -2.16 -0.07 0.00 1.25 0.00 0.00 42.46 41.26 3i27 s ILE 140 CO 0.19 -0.11 0.53 -1.10 0.24 0.00 0.00 174.94 174.69 3i27 s GLN 141 N -2.67 3.94 -0.09 0.37 -1.52 -1.26 -2.42 119.66 116.00 3i27 s GLN 141 Ca 0.21 0.43 -0.01 0.00 -1.95 0.00 0.00 55.36 54.05 3i27 s GLN 141 Cb -0.08 -2.90 -0.03 0.00 -0.22 0.00 0.00 33.01 29.78 3i27 s GLN 141 CO 0.10 0.47 -0.04 -0.51 -0.25 0.00 0.00 175.29 175.06 3i27 s LEU 142 N -2.06 3.32 0.01 2.90 1.43 -0.29 -4.96 118.68 119.05 3i27 s LEU 142 Ca 0.38 0.02 -0.36 0.00 -1.03 0.00 0.00 54.13 53.14 3i27 s LEU 142 Cb -0.14 -1.75 -0.15 0.00 0.03 0.00 0.00 46.19 44.18 3i27 s LEU 142 CO 0.19 0.34 1.55 0.00 0.23 0.00 0.00 176.35 178.67 3i27 n GLN 143 N 2.38 1.54 -1.70 1.70 1.13 -1.26 -4.89 117.38 116.28 3i27 n GLN 143 Ca -0.18 0.56 -0.35 0.00 -1.94 0.00 0.00 57.00 55.09 3i27 n GLN 143 Cb 0.53 -2.27 0.07 0.00 0.11 0.00 0.00 30.24 28.68 3i27 n GLN 143 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 3i27 s ALA 144 N 1.68 2.33 0.14 -1.58 0.00 -1.26 -4.64 121.76 118.43 3i27 s ALA 144 Ca 0.87 0.95 -0.31 0.00 0.00 0.00 0.00 51.96 53.47 3i27 s ALA 144 Cb -0.87 -3.47 -0.11 0.00 0.00 0.00 0.00 23.12 18.68 3i27 s ALA 144 CO 0.49 -1.55 1.78 -2.14 0.00 0.00 0.00 175.76 174.34 3i27 s PRO 145 N -3.65 4.14 0.40 0.00 0.02 -1.26 -4.86 135.00 129.79 3i27 s PRO 145 Ca 0.76 2.57 0.17 0.00 0.02 0.00 0.00 61.00 64.52 3i27 s PRO 145 Cb -0.30 -3.45 1.06 0.00 0.02 0.00 0.00 34.50 31.83 3i27 s PRO 145 CO 0.40 -0.80 1.82 0.77 -0.33 0.00 0.00 177.00 178.85 3i27 h SER 146 N 8.06 0.46 -3.40 2.53 0.02 -1.91 -3.35 113.55 115.96 3i27 h SER 146 Ca -0.45 0.06 -0.67 0.00 -0.84 0.00 0.00 61.79 59.90 3i27 h SER 146 Cb 1.21 -0.02 -0.18 0.00 0.14 0.00 0.00 62.40 63.55 3i27 h SER 146 CO 0.95 0.15 -0.65 -0.55 -1.14 0.00 0.00 176.83 175.59 3i27 s SER 147 N -5.47 4.99 -0.22 3.07 0.15 -1.26 -5.10 113.70 109.85 3i27 s SER 147 Ca -0.09 0.02 -0.04 0.00 0.70 0.00 0.00 55.95 56.55 3i27 s SER 147 Cb 0.24 -1.51 0.12 0.00 -1.71 0.00 0.00 66.02 63.15 3i27 s SER 147 CO 0.79 0.30 0.36 -0.76 1.20 0.00 0.00 173.24 175.14 3i27 s LEU 148 N -0.44 -0.57 0.88 3.45 1.43 -1.26 -4.80 118.68 117.37 3i27 s LEU 148 Ca 0.07 0.35 -0.13 0.00 -1.03 0.00 0.00 54.13 53.40 3i27 s LEU 148 Cb -0.12 1.06 0.12 0.00 0.03 0.00 0.00 46.19 47.28 3i27 s LEU 148 CO 0.02 -0.29 1.17 -2.16 0.23 0.00 0.00 176.35 175.33 3i27 s PRO 149 N 2.53 1.42 0.25 1.29 0.04 -1.26 -4.96 135.00 134.31 3i27 s PRO 149 Ca 0.09 0.15 -0.30 0.00 0.04 0.00 0.00 61.00 60.97 3i27 s PRO 149 Cb -0.15 -1.88 -0.14 0.00 0.04 0.00 0.00 34.50 32.37 3i27 s PRO 149 CO -0.14 -1.98 1.22 2.41 0.04 0.00 0.00 177.00 178.55 3i27 n THR 150 N -3.59 1.33 -3.89 1.26 -1.04 -1.26 -4.99 114.28 102.11 3i27 n THR 150 Ca 0.08 -0.33 -0.13 0.00 -2.04 0.00 0.00 64.05 61.63 3i27 n THR 150 Cb 0.60 -1.19 -0.14 0.00 -1.82 0.00 0.00 70.33 67.78 3i27 n THR 150 CO 0.00 0.00 0.00 -0.76 -0.64 0.00 0.00 175.07 173.67 3i27 s LEU 151 N 0.20 1.83 -0.18 -4.42 1.43 -1.26 -4.36 118.68 111.93 3i27 s LEU 151 Ca 0.65 -0.01 -0.07 0.00 -1.03 0.00 0.00 54.13 53.68 3i27 s LEU 151 Cb -0.71 -0.05 -0.04 0.00 0.03 0.00 0.00 46.19 45.42 3i27 s LEU 151 CO 0.55 -0.02 0.05 -1.58 0.23 0.00 0.00 176.35 175.58 3i27 s GLN 152 N 0.19 3.91 0.34 1.70 0.74 0.54 -4.88 119.66 122.21 3i27 s GLN 152 Ca -0.02 -0.36 -0.29 0.00 0.05 0.00 0.00 55.36 54.74 3i27 s GLN 152 Cb -0.03 -3.17 -0.11 0.00 1.10 0.00 0.00 33.01 30.80 3i27 s GLN 152 CO -0.01 0.29 1.52 0.00 -0.55 0.00 0.00 175.29 176.55 3i27 n ALA 153 N 3.47 2.41 -1.26 1.58 0.00 -1.26 0.12 120.51 125.58 3i27 n ALA 153 Ca -0.17 0.35 -0.29 0.00 0.00 0.00 0.00 53.44 53.34 3i27 n ALA 153 Cb 0.52 -2.43 0.16 0.00 0.00 0.00 0.00 19.45 17.70 3i27 n ALA 153 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 3i27 s GLY 154 N 0.11 1.57 0.03 0.00 0.00 -0.90 -4.74 107.32 103.39 3i27 s GLY 154 Ca 0.57 -0.37 -0.00 0.00 0.00 0.00 0.00 44.72 44.92 3i27 s GLY 154 CO 0.58 0.22 -0.03 -1.34 0.00 0.00 0.00 173.10 172.52 3i27 s VAL 155 N -3.03 0.17 0.35 1.40 -7.23 -1.26 -4.92 120.40 105.88 3i27 s VAL 155 Ca 0.65 -1.13 -0.26 0.00 -1.81 0.00 0.00 61.98 59.43 3i27 s VAL 155 Cb -0.18 -0.57 -0.09 0.00 0.56 0.00 0.00 36.38 36.10 3i27 s VAL 155 CO 0.57 -0.61 1.06 0.00 -0.31 0.00 0.00 175.10 175.81 3i27 h ARG 157 N 3.01 0.09 0.00 0.00 2.43 -0.83 -2.91 114.38 116.16 3i27 h ARG 157 Ca -0.48 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 58.68 3i27 h ARG 157 Cb 1.21 -0.02 0.00 0.00 -0.42 0.00 0.00 29.97 30.75 3i27 h ARG 157 CO 0.64 0.19 0.00 0.25 -1.51 0.00 0.00 179.97 179.54 3i27 n THR 158 N -4.38 0.11 -1.60 0.20 -2.24 -0.73 -4.89 114.28 100.76 3i27 n THR 158 Ca -0.02 0.03 -0.18 0.00 -2.27 0.00 0.00 64.05 61.61 3i27 n THR 158 Cb 0.20 -0.59 -0.07 0.00 -2.10 0.00 0.00 70.33 67.76 3i27 n THR 158 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 3i27 n ASN 159 N -1.21 -5.22 -4.77 3.42 4.13 -1.10 -5.01 115.26 105.50 3i27 n ASN 159 Ca 0.15 0.42 -0.22 0.00 1.68 0.00 0.00 54.58 56.60 3i27 n ASN 159 Cb 0.18 -4.33 0.10 0.00 -1.54 0.00 0.00 39.78 34.19 3i27 n ASN 159 CO 0.00 0.00 0.00 -0.54 0.28 0.00 0.00 177.26 177.00 3i27 s LYS 160 N -3.66 1.78 -0.19 3.52 1.02 -1.26 -5.02 119.74 115.94 3i27 s LYS 160 Ca 0.00 -1.39 -0.29 0.00 0.02 0.00 0.00 55.97 54.31 3i27 s LYS 160 Cb 0.00 -2.43 -0.00 0.00 -0.52 0.00 0.00 37.83 34.87 3i27 s LYS 160 CO 0.00 -1.34 1.12 -1.14 -0.92 0.00 0.00 175.35 173.07 3i27 s GLN 161 N -5.02 4.27 0.24 1.68 2.00 -1.26 -4.31 119.66 117.27 3i27 s GLN 161 Ca 0.66 1.48 -0.30 0.00 -2.00 0.00 0.00 55.36 55.20 3i27 s GLN 161 Cb -0.05 -3.67 -0.11 0.00 0.80 0.00 0.00 33.01 29.99 3i27 s GLN 161 CO 0.43 -0.61 1.54 -1.17 -0.50 0.00 0.00 175.29 174.97 3i27 s LEU 162 N 3.12 4.37 0.26 3.68 2.96 -1.26 -4.94 118.68 126.87 3i27 s LEU 162 Ca 0.49 2.77 -0.31 0.00 -0.22 0.00 0.00 54.13 56.86 3i27 s LEU 162 Cb -0.18 -3.62 -0.13 0.00 0.50 0.00 0.00 46.19 42.76 3i27 s LEU 162 CO 0.11 -0.82 1.39 -2.65 -1.32 0.00 0.00 176.35 173.06 3i27 n PRO 163 N 2.70 2.05 0.13 0.98 -0.02 -1.26 -4.89 135.00 134.69 3i27 n PRO 163 Ca 0.09 0.73 0.13 0.00 -2.02 0.00 0.00 63.50 62.43 3i27 n PRO 163 Cb 0.39 -2.37 0.33 0.00 -0.02 0.00 0.00 33.50 31.82 3i27 n PRO 163 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 3i27 h ASP 164 N 3.93 0.00 -3.33 2.55 3.32 -1.10 -3.42 116.42 118.37 3i27 h ASP 164 Ca -0.45 -0.01 -0.35 0.00 0.02 0.00 0.00 57.03 56.24 3i27 h ASP 164 Cb 1.28 0.00 -0.38 0.00 0.22 0.00 0.00 39.33 40.45 3i27 h ASP 164 CO 0.73 0.01 -0.73 0.21 -1.72 0.00 0.00 179.24 177.74 3i27 s ASN 165 N -4.95 0.89 0.64 6.45 2.47 0.99 -3.51 114.94 117.91 3i27 s ASN 165 Ca 0.09 0.10 -0.15 0.00 0.42 0.00 0.00 52.86 53.33 3i27 s ASN 165 Cb 0.10 -0.09 -0.01 0.00 -1.45 0.00 0.00 41.25 39.81 3i27 s ASN 165 CO 0.63 -0.23 1.08 -2.16 -3.72 0.00 0.00 177.10 172.70 3i27 s PRO 166 N 1.96 3.00 -0.04 0.43 0.04 -1.26 -4.31 135.00 134.82 3i27 s PRO 166 Ca 0.02 1.26 -0.30 0.00 0.04 0.00 0.00 61.00 62.02 3i27 s PRO 166 Cb -0.12 -1.99 -0.04 0.00 0.04 0.00 0.00 34.50 32.39 3i27 s PRO 166 CO -0.03 -1.07 1.34 0.50 0.04 0.00 0.00 177.00 177.77 3i27 s ARG 167 N -4.22 4.29 -0.23 4.56 3.52 0.87 -4.85 118.95 122.88 3i27 s ARG 167 Ca 0.64 1.85 -0.07 0.00 -0.13 0.00 0.00 55.73 58.02 3i27 s ARG 167 Cb -0.18 -3.62 -0.03 0.00 -1.56 0.00 0.00 34.95 29.56 3i27 s ARG 167 CO 0.42 -0.57 0.06 -1.17 -0.81 0.00 0.00 175.30 173.23 3i27 s LEU 168 N 2.59 3.49 0.06 -0.88 2.96 -1.26 -1.77 118.68 123.87 3i27 s LEU 168 Ca 0.61 -0.16 -0.11 0.00 -0.22 0.00 0.00 54.13 54.26 3i27 s LEU 168 Cb -0.28 -1.92 0.01 0.00 0.50 0.00 0.00 46.19 44.49 3i27 s LEU 168 CO 0.24 0.01 0.23 0.00 -1.32 0.00 0.00 176.35 175.50 3i27 s ALA 169 N 1.35 -0.43 -0.17 5.97 0.00 -0.31 -2.11 121.76 126.06 3i27 s ALA 169 Ca 0.05 -0.29 -0.05 0.00 0.00 0.00 0.00 51.96 51.67 3i27 s ALA 169 Cb -0.15 0.36 -0.03 0.00 0.00 0.00 0.00 23.12 23.30 3i27 s ALA 169 CO 0.03 -0.42 0.01 -0.51 0.00 0.00 0.00 175.76 174.87 3i27 s LEU 170 N -2.31 3.45 0.75 0.00 1.02 0.32 -0.56 118.68 121.35 3i27 s LEU 170 Ca -0.02 -0.07 -0.12 0.00 0.02 0.00 0.00 54.13 53.94 3i27 s LEU 170 Cb 0.01 -1.86 0.04 0.00 0.02 0.00 0.00 46.19 44.40 3i27 s LEU 170 CO -0.06 0.15 1.12 -0.76 0.02 0.00 0.00 176.35 176.82 3i27 s LEU 171 N 0.49 2.73 0.18 1.79 1.43 0.26 -0.34 118.68 125.22 3i27 s LEU 171 Ca -0.01 1.08 0.04 0.00 -1.03 0.00 0.00 54.13 54.21 3i27 s LEU 171 Cb -0.14 -3.76 0.05 0.00 0.03 0.00 0.00 46.19 42.38 3i27 s LEU 171 CO 0.02 -1.62 1.42 0.28 0.23 0.00 0.00 176.35 176.68 3i27 h SER 172 N -0.85 0.22 -4.55 2.29 0.02 -1.87 -3.46 113.55 105.35 3i27 h SER 172 Ca -0.46 -0.17 -0.44 0.00 -0.84 0.00 0.00 61.79 59.88 3i27 h SER 172 Cb 1.28 -0.07 -0.07 0.00 0.14 0.00 0.00 62.40 63.67 3i27 h SER 172 CO 0.63 0.95 -0.30 -0.90 -1.14 0.00 0.00 176.83 176.07 3i27 n ASP 173 N -3.69 2.79 -0.09 3.07 5.68 -1.26 -5.06 116.55 117.99 3i27 n ASP 173 Ca -0.03 -2.48 0.10 0.00 -0.50 0.00 0.00 54.79 51.88 3i27 n ASP 173 Cb 0.77 0.18 0.14 0.00 -1.14 0.00 0.00 41.12 41.07 3i27 n ASP 173 CO 0.00 0.00 0.00 0.35 -1.33 0.00 0.00 177.20 176.22 3i27 n THR 174 N -0.99 1.89 -3.12 2.12 -2.24 -1.26 -2.83 114.28 107.85 3i27 n THR 174 Ca -0.12 -2.24 -0.39 0.00 -2.27 0.00 0.00 64.05 59.03 3i27 n THR 174 Cb 0.44 -0.23 -0.06 0.00 -2.10 0.00 0.00 70.33 68.38 3i27 n THR 174 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 3i27 s VAL 175 N -2.86 4.64 0.32 2.28 1.01 -1.26 -4.33 120.40 120.20 3i27 s VAL 175 Ca 0.32 1.45 -0.27 0.00 0.00 0.00 0.00 61.98 63.48 3i27 s VAL 175 Cb 0.28 -4.02 -0.13 0.00 0.00 0.00 0.00 36.38 32.51 3i27 s VAL 175 CO 0.03 0.49 0.96 -2.65 0.00 0.00 0.00 175.10 173.94 3i27 n PRO 176 N 2.00 1.27 -3.92 2.72 -0.02 -1.22 -4.28 135.00 131.54 3i27 n PRO 176 Ca -0.07 0.45 -0.08 0.00 -2.02 0.00 0.00 63.50 61.78 3i27 n PRO 176 Cb 0.50 -1.84 -0.03 0.00 -0.02 0.00 0.00 33.50 32.11 3i27 n PRO 176 CO 0.00 0.00 0.00 -0.08 1.98 0.00 0.00 175.50 177.40 3i27 s THR 177 N -1.13 0.00 -0.07 3.45 -1.32 -1.00 -4.91 115.64 110.65 3i27 s THR 177 Ca 0.60 -1.18 -0.07 0.00 -1.21 0.00 0.00 61.69 59.83 3i27 s THR 177 Cb -0.67 -2.14 0.02 0.00 -1.51 0.00 0.00 72.50 68.20 3i27 s THR 177 CO 0.59 0.00 0.19 -0.44 -2.21 0.00 0.00 174.62 172.75 3i27 s SER 178 N -2.97 -0.20 0.15 8.08 0.01 -1.26 -1.93 113.70 115.58 3i27 s SER 178 Ca 0.16 0.39 0.10 0.00 1.31 0.00 0.00 55.95 57.91 3i27 s SER 178 Cb -0.04 0.39 -0.04 0.00 0.21 0.00 0.00 66.02 66.54 3i27 s SER 178 CO 0.08 -0.07 -0.18 0.68 0.41 0.00 0.00 173.24 174.17 3i27 s VAL 179 N 0.11 2.79 -0.19 3.43 -7.23 -1.01 -4.97 120.40 113.32 3i27 s VAL 179 Ca -0.00 -1.70 -0.07 0.00 -1.81 0.00 0.00 61.98 58.40 3i27 s VAL 179 Cb -0.01 -2.32 -0.04 0.00 0.56 0.00 0.00 36.38 34.57 3i27 s VAL 179 CO 0.00 -0.02 0.06 -1.58 -0.31 0.00 0.00 175.10 173.26 3i27 s GLN 180 N -2.47 3.92 0.17 4.82 0.74 -1.26 0.19 119.66 125.77 3i27 s GLN 180 Ca 0.20 -0.37 0.09 0.00 0.05 0.00 0.00 55.36 55.34 3i27 s GLN 180 Cb -0.09 -3.23 -0.04 0.00 1.10 0.00 0.00 33.01 30.74 3i27 s GLN 180 CO 0.11 0.19 -0.19 -0.59 -0.55 0.00 0.00 175.29 174.26 3i27 s PHE 181 N 0.59 1.90 -0.11 1.67 -0.71 0.17 -4.49 117.98 117.01 3i27 s PHE 181 Ca 0.03 -0.45 0.04 0.00 -1.04 0.00 0.00 56.93 55.51 3i27 s PHE 181 Cb -0.13 -0.94 0.00 0.00 -1.21 0.00 0.00 43.02 40.74 3i27 s PHE 181 CO 0.01 0.37 -0.23 0.08 -1.34 0.00 0.00 175.22 174.11 3i27 s VAL 182 N -2.00 2.11 -0.39 -2.49 1.01 -1.26 -0.33 120.40 117.05 3i27 s VAL 182 Ca 0.17 -1.00 -0.13 0.00 0.00 0.00 0.00 61.98 61.02 3i27 s VAL 182 Cb -0.06 -1.81 0.02 0.00 0.00 0.00 0.00 36.38 34.53 3i27 s VAL 182 CO 0.07 0.56 0.24 -0.76 0.00 0.00 0.00 175.10 175.21 3i27 s LEU 183 N 0.39 4.85 0.61 3.92 1.43 0.08 -4.63 118.68 125.33 3i27 s LEU 183 Ca -0.17 -0.92 -0.17 0.00 -1.03 0.00 0.00 54.13 51.83 3i27 s LEU 183 Cb -0.18 -2.08 -0.03 0.00 0.03 0.00 0.00 46.19 43.93 3i27 s LEU 183 CO 0.08 -0.40 1.13 -2.16 0.23 0.00 0.00 176.35 175.23 3i27 s PRO 184 N 1.61 3.02 0.43 1.29 0.04 -1.26 -1.03 135.00 139.11 3i27 s PRO 184 Ca 0.03 1.54 0.22 0.00 0.04 0.00 0.00 61.00 62.84 3i27 s PRO 184 Cb -0.19 -1.97 0.95 0.00 0.04 0.00 0.00 34.50 33.34 3i27 s PRO 184 CO 0.08 -1.10 1.85 0.78 0.04 0.00 0.00 177.00 178.65 3i27 h GLY 185 N 0.59 0.00 -1.79 0.56 0.00 -1.93 -3.43 103.07 97.08 3i27 h GLY 185 Ca -0.49 0.00 -0.07 0.00 0.00 0.00 0.00 47.33 46.77 3i27 h GLY 185 CO 0.55 0.00 0.03 -1.35 0.00 0.00 0.00 176.54 175.77 3i27 s SER 186 N -6.31 0.12 -0.35 0.19 1.04 -1.26 -1.35 113.70 105.77 3i27 s SER 186 Ca -0.01 -1.04 0.06 0.00 0.48 0.00 0.00 55.95 55.44 3i27 s SER 186 Cb 0.11 0.70 0.18 0.00 0.10 0.00 0.00 66.02 67.11 3i27 s SER 186 CO 0.65 -1.36 0.54 -0.55 0.98 0.00 0.00 173.24 173.50 3i27 s SER 187 N -3.06 -0.77 1.39 7.02 0.15 0.18 -4.83 113.70 113.78 3i27 s SER 187 Ca 0.20 -0.62 0.00 0.00 0.70 0.00 0.00 55.95 56.23 3i27 s SER 187 Cb -0.03 1.60 0.00 0.00 -1.71 0.00 0.00 66.02 65.88 3i27 s SER 187 CO 0.12 -0.25 0.00 0.61 1.20 0.00 0.00 173.24 174.92 3i27 n GLY 188 N 4.78 2.26 0.21 9.45 0.00 -1.26 -2.32 105.19 118.31 3i27 n GLY 188 Ca 0.08 -0.39 0.14 0.00 0.00 0.00 0.00 46.02 45.86 3i27 n GLY 188 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 3i27 h THR 189 N 0.00 0.00 -3.41 2.61 1.35 -2.05 -3.45 112.91 107.97 3i27 h THR 189 Ca 0.00 -0.58 -0.55 0.00 -0.55 0.00 0.00 66.41 64.74 3i27 h THR 189 Cb 0.00 1.52 -0.03 0.00 -1.73 0.00 0.00 68.15 67.91 3i27 h THR 189 CO 0.00 0.00 0.26 -0.89 -0.25 0.00 0.00 175.52 174.64 3i27 s THR 190 N -3.41 4.90 0.06 6.82 2.01 -0.98 -5.04 115.64 119.99 3i27 s THR 190 Ca 0.04 1.82 -0.27 0.00 0.31 0.00 0.00 61.69 63.60 3i27 s THR 190 Cb 0.08 -4.21 -0.05 0.00 0.01 0.00 0.00 72.50 68.33 3i27 s THR 190 CO 0.55 0.22 0.85 -0.63 -0.69 0.00 0.00 174.62 174.92 3i27 s ILE 191 N 0.79 4.68 -0.62 1.82 -1.09 -1.26 -0.65 121.20 124.88 3i27 s ILE 191 Ca 0.46 1.82 -0.11 0.00 -2.23 0.00 0.00 60.65 60.59 3i27 s ILE 191 Cb -0.20 -4.21 0.16 0.00 -1.58 0.00 0.00 42.46 36.63 3i27 s ILE 191 CO 0.24 0.32 0.52 0.00 -1.23 0.00 0.00 174.94 174.79 3i27 h THR 193 N 5.54 0.49 -3.86 0.00 1.35 -0.55 -3.43 112.91 112.46 3i27 h THR 193 Ca -0.10 -1.72 -0.10 0.00 -0.55 0.00 0.00 66.41 63.93 3i27 h THR 193 Cb 1.05 2.19 -0.11 0.00 -1.73 0.00 0.00 68.15 69.54 3i27 h THR 193 CO 0.84 0.28 -0.26 -1.59 -0.25 0.00 0.00 175.52 174.54 3i27 s LYS 194 N -3.07 1.34 -0.01 4.72 0.00 -0.56 -4.35 119.74 117.81 3i27 s LYS 194 Ca 0.04 -1.26 0.02 0.00 0.00 0.00 0.00 55.97 54.77 3i27 s LYS 194 Cb 0.07 0.41 0.00 0.00 0.00 0.00 0.00 37.83 38.31 3i27 s LYS 194 CO 0.73 -0.52 -0.06 -1.01 0.00 0.00 0.00 175.35 174.48 3i27 s HIS 195 N -4.01 0.65 -0.29 1.78 3.76 0.33 -1.51 115.29 115.99 3i27 s HIS 195 Ca 0.22 -0.14 -0.17 0.00 -0.15 0.00 0.00 55.06 54.83 3i27 s HIS 195 Cb 0.02 -0.46 -0.02 0.00 1.11 0.00 0.00 32.58 33.22 3i27 s HIS 195 CO 0.06 -0.05 0.45 -1.17 -0.85 0.00 0.00 174.74 173.18 3i27 s LEU 196 N 0.07 4.15 -0.04 0.89 0.20 -0.34 -0.55 118.68 123.05 3i27 s LEU 196 Ca -0.01 0.24 0.02 0.00 0.69 0.00 0.00 54.13 55.08 3i27 s LEU 196 Cb -0.05 -2.54 0.02 0.00 -0.43 0.00 0.00 46.19 43.18 3i27 s LEU 196 CO -0.00 -0.31 -0.07 -0.69 -0.29 0.00 0.00 176.35 174.99 3i27 s VAL 197 N 2.23 0.73 0.26 1.68 1.01 -0.04 -2.10 120.40 124.17 3i27 s VAL 197 Ca 0.18 -0.26 -0.29 0.00 0.00 0.00 0.00 61.98 61.60 3i27 s VAL 197 Cb -0.16 -0.70 -0.09 0.00 0.00 0.00 0.00 36.38 35.43 3i27 s VAL 197 CO 0.11 0.26 0.96 -2.16 0.00 0.00 0.00 175.10 174.26 3i27 s PRO 198 N 0.67 4.77 -0.14 2.72 0.04 -1.26 0.37 135.00 142.16 3i27 s PRO 198 Ca -0.11 1.49 -0.00 0.00 0.04 0.00 0.00 61.00 62.42 3i27 s PRO 198 Cb -0.13 -3.17 0.03 0.00 0.04 0.00 0.00 34.50 31.27 3i27 s PRO 198 CO 0.01 0.43 -0.06 0.12 0.04 0.00 0.00 177.00 177.54 3i27 s PHE 199 N -1.27 1.62 0.15 0.56 5.36 0.03 -4.64 117.98 119.79 3i27 s PHE 199 Ca 0.43 -0.95 0.05 0.00 -0.96 0.00 0.00 56.93 55.51 3i27 s PHE 199 Cb -0.25 -1.29 -0.04 0.00 -0.34 0.00 0.00 43.02 41.10 3i27 s PHE 199 CO 0.31 -0.58 -0.12 0.00 -1.46 0.00 0.00 175.22 173.38 3i27 s TYR 201 N -2.87 -0.50 -0.27 0.00 -0.85 0.21 -4.96 117.35 108.10 3i27 s TYR 201 Ca 0.15 0.28 -0.15 0.00 -0.52 0.00 0.00 57.07 56.84 3i27 s TYR 201 Cb -0.01 0.57 -0.04 0.00 0.38 0.00 0.00 41.96 42.86 3i27 s TYR 201 CO 0.02 -0.84 0.36 -0.51 -1.52 0.00 0.00 175.55 173.06 3i27 s LEU 202 N -2.74 4.05 0.00 -3.49 1.43 -1.26 -1.06 118.68 115.62 3i27 s LEU 202 Ca 0.02 0.25 0.04 0.00 -1.03 0.00 0.00 54.13 53.41 3i27 s LEU 202 Cb -0.01 -2.40 0.04 0.00 0.03 0.00 0.00 46.19 43.85 3i27 s LEU 202 CO -0.11 -0.18 0.35 -0.46 0.23 0.00 0.00 176.35 176.17 3i27 n ASN 203 N 5.32 0.88 -2.68 2.29 6.94 -0.56 -4.82 115.26 122.63 3i27 n ASN 203 Ca -0.09 -1.65 -0.07 0.00 -0.02 0.00 0.00 54.58 52.76 3i27 n ASN 203 Cb 0.51 -0.19 0.03 0.00 -2.36 0.00 0.00 39.78 37.77 3i27 n ASN 203 CO 0.00 0.00 0.00 1.41 -1.03 0.00 0.00 177.26 177.64 3i27 n HIS 204 N -1.58 -1.88 -0.56 -2.53 8.25 -1.26 -3.82 115.22 111.84 3i27 n HIS 204 Ca 0.07 0.68 0.00 0.00 -0.26 0.00 0.00 57.72 58.21 3i27 n HIS 204 Cb 0.26 -3.53 0.00 0.00 1.12 0.00 0.00 29.99 27.84 3i27 n HIS 204 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3i27 n GLY 205 N -1.40 -2.93 3.71 -1.41 0.00 -1.26 -4.71 105.19 97.19 3i27 n GLY 205 Ca -0.03 -1.89 -0.33 0.00 0.00 0.00 0.00 46.02 43.77 3i27 n GLY 205 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i27 s PHE 207 N -2.15 2.91 0.04 0.00 5.36 0.20 -4.77 117.98 119.57 3i27 s PHE 207 Ca 0.72 -1.72 -0.31 0.00 -0.96 0.00 0.00 56.93 54.67 3i27 s PHE 207 Cb -0.27 -1.95 -0.07 0.00 -0.34 0.00 0.00 43.02 40.39 3i27 s PHE 207 CO 0.48 -0.80 1.48 0.99 -1.46 0.00 0.00 175.22 175.92 3i27 s THR 208 N 1.27 3.41 -0.27 0.12 2.01 -1.26 -1.37 115.64 119.56 3i27 s THR 208 Ca 0.02 0.86 -0.22 0.00 0.31 0.00 0.00 61.69 62.66 3i27 s THR 208 Cb -0.15 -3.55 0.07 0.00 0.01 0.00 0.00 72.50 68.88 3i27 s THR 208 CO -0.10 0.01 0.70 0.28 -0.69 0.00 0.00 174.62 174.82 3i27 s THR 209 N 2.27 -0.00 -1.48 -0.82 -1.32 -0.87 -4.90 115.64 108.52 3i27 s THR 209 Ca 0.67 0.00 -0.07 0.00 -1.21 0.00 0.00 61.69 61.08 3i27 s THR 209 Cb -0.35 -0.98 0.02 0.00 -1.51 0.00 0.00 72.50 69.68 3i27 s THR 209 CO 0.29 0.00 0.79 0.61 -2.21 0.00 0.00 174.62 174.10 3i27 n GLY 210 N 3.19 -0.53 2.27 6.08 0.00 -1.26 -3.28 105.19 111.67 3i27 n GLY 210 Ca -0.16 0.17 -0.11 0.00 0.00 0.00 0.00 46.02 45.92 3i27 n GLY 210 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i27 n GLY 211 N -1.64 0.70 3.11 -0.02 0.00 -1.26 -5.01 105.19 101.08 3i27 n GLY 211 Ca -0.06 -0.49 -0.12 0.00 0.00 0.00 0.00 46.02 45.35 3i27 n GLY 211 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3i27 s SER 212 N -2.74 -0.31 -0.59 1.61 1.04 -1.21 -5.11 113.70 106.40 3i27 s SER 212 Ca 0.00 0.59 -0.28 0.00 0.48 0.00 0.00 55.95 56.74 3i27 s SER 212 Cb 0.00 0.50 0.02 0.00 0.10 0.00 0.00 66.02 66.64 3i27 s SER 212 CO 0.00 -0.15 1.34 0.00 0.98 0.00 0.00 173.24 175.41 3i27 s LEU 214 N 5.76 4.35 0.34 0.00 1.43 -0.47 -4.71 118.68 125.39 3i27 s LEU 214 Ca 0.48 0.53 -0.29 0.00 -1.03 0.00 0.00 54.13 53.82 3i27 s LEU 214 Cb -0.09 -2.82 -0.11 0.00 0.03 0.00 0.00 46.19 43.20 3i27 s LEU 214 CO 0.24 0.21 1.53 -2.84 0.23 0.00 0.00 176.35 175.72 3i27 s PRO 215 N -2.01 4.11 -0.40 1.29 0.02 -1.26 0.61 135.00 137.36 3i27 s PRO 215 Ca 0.31 2.58 -0.12 0.00 0.02 0.00 0.00 61.00 63.79 3i27 s PRO 215 Cb -0.13 -2.99 0.04 0.00 0.02 0.00 0.00 34.50 31.45 3i27 s PRO 215 CO 0.19 -0.58 0.26 0.12 -0.33 0.00 0.00 177.00 176.66 3i27 s PHE 216 N -0.68 3.26 -0.12 6.54 5.36 -0.99 -4.82 117.98 126.53 3i27 s PHE 216 Ca 0.57 -1.04 -0.04 0.00 -0.96 0.00 0.00 56.93 55.46 3i27 s PHE 216 Cb -0.47 -2.67 0.06 0.00 -0.34 0.00 0.00 43.02 39.60 3i27 s PHE 216 CO 0.57 -0.71 0.12 0.20 -1.46 0.00 0.00 175.22 173.94 3i27 s GLY 217 N 1.83 0.19 0.05 13.12 0.00 -1.26 -1.68 107.32 119.57 3i27 s GLY 217 Ca 0.03 0.11 0.02 0.00 0.00 0.00 0.00 44.72 44.88 3i27 s GLY 217 CO 0.06 1.70 -0.08 -1.34 0.00 0.00 0.00 173.10 173.44 3i27 s VAL 218 N 2.21 0.56 -0.00 1.40 -7.23 -0.35 -1.84 120.40 115.16 3i27 s VAL 218 Ca 0.04 -1.14 -0.17 0.00 -1.81 0.00 0.00 61.98 58.90 3i27 s VAL 218 Cb -0.14 -0.68 0.03 0.00 0.56 0.00 0.00 36.38 36.15 3i27 s VAL 218 CO -0.07 -0.41 0.37 -0.94 -0.31 0.00 0.00 175.10 173.74 3i27 s SER 219 N -1.67 -0.26 -0.19 4.85 1.04 -0.51 -0.81 113.70 116.15 3i27 s SER 219 Ca -0.09 0.11 -0.07 0.00 0.48 0.00 0.00 55.95 56.39 3i27 s SER 219 Cb -0.09 0.37 -0.04 0.00 0.10 0.00 0.00 66.02 66.36 3i27 s SER 219 CO 0.00 -0.53 0.06 -0.31 0.98 0.00 0.00 173.24 173.44 3i27 s TYR 220 N -1.67 3.21 -0.07 5.02 2.02 0.09 -0.37 117.35 125.58 3i27 s TYR 220 Ca -0.11 -0.01 -0.05 0.00 -0.37 0.00 0.00 57.07 56.53 3i27 s TYR 220 Cb -0.03 -2.10 0.02 0.00 -0.40 0.00 0.00 41.96 39.45 3i27 s TYR 220 CO 0.03 0.07 0.17 0.08 -1.57 0.00 0.00 175.55 174.33 3i27 s VAL 221 N 0.55 -0.01 0.00 0.71 1.01 -0.70 -1.27 120.40 120.70 3i27 s VAL 221 Ca 0.03 0.03 0.00 0.00 0.00 0.00 0.00 61.98 62.04 3i27 s VAL 221 Cb -0.13 -0.25 0.00 0.00 0.00 0.00 0.00 36.38 36.00 3i27 s VAL 221 CO 0.01 0.01 0.00 -1.54 0.00 0.00 0.00 175.10 173.58 3i27 n SER 222 N 3.21 0.25 0.07 3.32 3.41 -0.16 -0.57 113.62 123.15 3i27 n SER 222 Ca -0.15 -0.75 -0.10 0.00 -0.26 0.00 0.00 58.87 57.61 3i27 n SER 222 Cb 0.58 0.00 0.01 0.00 -0.26 0.00 0.00 64.21 64.53 3i27 n SER 222 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 3i27 h ASP 223 N 0.00 0.41 0.12 4.04 3.32 -2.01 -3.22 116.42 119.08 3i27 h ASP 223 Ca 0.00 -0.30 0.00 0.00 0.02 0.00 0.00 57.03 56.75 3i27 h ASP 223 Cb 0.00 -0.12 0.00 0.00 0.22 0.00 0.00 39.33 39.43 3i27 h ASP 223 CO 0.00 1.07 -0.40 -1.54 -1.72 0.00 0.00 179.24 176.64 3i27 n SER 224 N -3.76 1.44 -3.99 6.45 3.41 -1.26 -4.99 113.62 110.92 3i27 n SER 224 Ca -0.05 -1.14 -0.15 0.00 -0.26 0.00 0.00 58.87 57.27 3i27 n SER 224 Cb 0.76 0.34 -0.14 0.00 -0.26 0.00 0.00 64.21 64.91 3i27 n SER 224 CO 0.00 0.00 0.00 0.12 -0.16 0.00 0.00 175.04 175.00 3i27 s PHE 225 N -2.54 0.53 -0.12 7.33 5.36 -1.22 -5.13 117.98 122.20 3i27 s PHE 225 Ca 0.20 -0.18 -0.05 0.00 -0.96 0.00 0.00 56.93 55.93 3i27 s PHE 225 Cb 0.18 -0.34 0.05 0.00 -0.34 0.00 0.00 43.02 42.58 3i27 s PHE 225 CO 0.57 -0.02 0.26 -0.47 -1.46 0.00 0.00 175.22 174.10 3i27 s TYR 226 N -0.41 -0.37 -0.07 10.12 5.04 -1.26 -0.99 117.35 129.40 3i27 s TYR 226 Ca -0.01 0.87 -0.03 0.00 -2.44 0.00 0.00 57.07 55.46 3i27 s TYR 226 Cb -0.04 0.05 0.04 0.00 0.35 0.00 0.00 41.96 42.36 3i27 s TYR 226 CO -0.00 -0.27 0.14 -0.47 -1.34 0.00 0.00 175.55 173.61 3i27 s TYR 227 N 1.51 -0.14 0.19 4.97 5.04 -0.40 -5.02 117.35 123.50 3i27 s TYR 227 Ca -0.07 0.51 -0.10 0.00 -2.44 0.00 0.00 57.07 54.97 3i27 s TYR 227 Cb -0.11 -0.20 -0.01 0.00 0.35 0.00 0.00 41.96 41.99 3i27 s TYR 227 CO -0.09 -0.21 0.33 0.20 -1.34 0.00 0.00 175.55 174.44 3i27 s GLY 228 N 1.77 0.51 -0.01 8.97 0.00 -1.26 -0.73 107.32 116.57 3i27 s GLY 228 Ca -0.02 -0.89 -0.01 0.00 0.00 0.00 0.00 44.72 43.80 3i27 s GLY 228 CO -0.05 -0.79 0.03 -0.47 0.00 0.00 0.00 173.10 171.82 3i27 s TYR 229 N -3.98 -0.02 -0.10 1.90 5.04 0.01 -4.99 117.35 115.20 3i27 s TYR 229 Ca 0.19 0.05 -0.06 0.00 -2.44 0.00 0.00 57.07 54.81 3i27 s TYR 229 Cb 0.02 0.00 0.04 0.00 0.35 0.00 0.00 41.96 42.38 3i27 s TYR 229 CO 0.02 -0.03 0.25 -0.47 -1.34 0.00 0.00 175.55 173.99 3i27 s TYR 230 N -0.06 -0.32 -0.20 4.97 5.04 -1.26 -1.20 117.35 124.31 3i27 s TYR 230 Ca -0.01 0.76 -0.07 0.00 -2.44 0.00 0.00 57.07 55.32 3i27 s TYR 230 Cb -0.01 0.07 0.09 0.00 0.35 0.00 0.00 41.96 42.47 3i27 s TYR 230 CO 0.00 -0.20 0.42 0.34 -1.34 0.00 0.00 175.55 174.77 3i27 s ASP 231 N 0.91 -0.27 -0.03 4.32 -1.08 -0.67 -5.00 116.67 114.86 3i27 s ASP 231 Ca -0.06 0.98 0.07 0.00 -0.52 0.00 0.00 52.55 53.02 3i27 s ASP 231 Cb -0.08 1.37 0.19 0.00 -1.46 0.00 0.00 42.92 42.95 3i27 s ASP 231 CO -0.06 -0.23 1.15 0.00 0.52 0.00 0.00 175.17 176.54 3i27 n ALA 232 N 5.39 2.18 -1.78 3.66 0.00 -1.26 -2.33 120.51 126.37 3i27 n ALA 232 Ca -0.08 -1.34 -0.41 0.00 0.00 0.00 0.00 53.44 51.61 3i27 n ALA 232 Cb 0.49 -0.26 -0.01 0.00 0.00 0.00 0.00 19.45 19.67 3i27 n ALA 232 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 3i27 s THR 233 N -1.36 2.14 0.09 0.00 2.01 -1.26 -4.46 115.64 112.81 3i27 s THR 233 Ca 0.16 0.13 -0.30 0.00 0.31 0.00 0.00 61.69 61.98 3i27 s THR 233 Cb 0.10 -3.08 -0.05 0.00 0.01 0.00 0.00 72.50 69.48 3i27 s THR 233 CO 0.07 0.02 0.98 -2.16 -0.69 0.00 0.00 174.62 172.84 3i27 s PRO 234 N -1.01 4.66 -0.21 4.92 0.04 -1.26 -0.28 135.00 141.87 3i27 s PRO 234 Ca 0.59 1.47 -0.04 0.00 0.04 0.00 0.00 61.00 63.06 3i27 s PRO 234 Cb -0.47 -3.39 0.10 0.00 0.04 0.00 0.00 34.50 30.79 3i27 s PRO 234 CO 0.52 0.14 0.34 -2.00 0.04 0.00 0.00 177.00 176.04 3i27 s GLU 240 N 0.21 0.28 0.04 4.56 2.12 -1.26 -4.83 118.70 119.81 3i27 s GLU 240 Ca 0.48 0.63 0.06 0.00 0.36 0.00 0.00 54.97 56.51 3i27 s GLU 240 Cb -0.23 -0.34 -0.02 0.00 0.26 0.00 0.00 34.13 33.80 3i27 s GLU 240 CO 0.30 -0.49 -0.18 0.45 -0.54 0.00 0.00 175.26 174.80 3i27 s SER 241 N 2.50 2.13 -0.06 -1.70 0.15 -1.26 -5.15 113.70 110.31 3i27 s SER 241 Ca 0.07 -0.48 -0.03 0.00 0.70 0.00 0.00 55.95 56.21 3i27 s SER 241 Cb -0.14 -0.17 0.04 0.00 -1.71 0.00 0.00 66.02 64.04 3i27 s SER 241 CO -0.13 0.12 0.14 -1.00 1.20 0.00 0.00 173.24 173.56 3i27 s HIS 242 N -0.79 -0.15 -0.04 3.44 3.76 -1.26 -4.63 115.29 115.63 3i27 s HIS 242 Ca 0.05 0.45 -0.12 0.00 -0.15 0.00 0.00 55.06 55.30 3i27 s HIS 242 Cb -0.08 -0.10 -0.05 0.00 1.11 0.00 0.00 32.58 33.46 3i27 s HIS 242 CO 0.01 -0.16 0.31 -0.51 -0.85 0.00 0.00 174.74 173.55 3i27 s ASP 243 N 1.18 6.66 -0.26 1.40 1.01 -1.25 -1.59 116.67 123.81 3i27 s ASP 243 Ca -0.09 0.78 -0.29 0.00 0.71 0.00 0.00 52.55 53.66 3i27 s ASP 243 Cb -0.12 -2.18 0.00 0.00 1.01 0.00 0.00 42.92 41.63 3i27 s ASP 243 CO -0.06 0.35 1.23 -0.47 0.21 0.00 0.00 175.17 176.43 3i27 s TYR 244 N -1.08 2.87 0.00 4.23 5.04 -1.26 -1.49 117.35 125.66 3i27 s TYR 244 Ca 0.21 1.02 0.05 0.00 -2.44 0.00 0.00 57.07 55.91 3i27 s TYR 244 Cb -0.15 -3.71 -0.01 0.00 0.35 0.00 0.00 41.96 38.43 3i27 s TYR 244 CO 0.10 -1.43 -0.15 0.08 -1.34 0.00 0.00 175.55 172.81 3i27 s VAL 245 N 3.92 1.22 0.04 3.14 1.01 -0.22 -4.87 120.40 124.63 3i27 s VAL 245 Ca 0.53 -0.77 0.04 0.00 0.00 0.00 0.00 61.98 61.78 3i27 s VAL 245 Cb -0.17 -1.04 -0.02 0.00 0.00 0.00 0.00 36.38 35.15 3i27 s VAL 245 CO 0.18 0.26 -0.12 0.00 0.00 0.00 0.00 175.10 175.41 3i27 s ASP 247 N -1.14 4.01 -0.34 0.00 1.01 0.59 -4.96 116.67 115.84 3i27 s ASP 247 Ca -0.00 -0.58 -0.06 0.00 0.71 0.00 0.00 52.55 52.61 3i27 s ASP 247 Cb -0.08 -0.60 0.04 0.00 1.01 0.00 0.00 42.92 43.29 3i27 s ASP 247 CO 0.01 0.15 0.10 -0.31 0.21 0.00 0.00 175.17 175.32 3i27 s TYR 248 N -1.39 3.25 -0.14 4.23 1.51 -1.26 -0.79 117.35 122.76 3i27 s TYR 248 Ca 0.21 -1.44 -0.08 0.00 -1.01 0.00 0.00 57.07 54.74 3i27 s TYR 248 Cb -0.10 -2.26 -0.04 0.00 -0.11 0.00 0.00 41.96 39.45 3i27 s TYR 248 CO 0.12 -0.73 0.15 -0.51 -1.11 0.00 0.00 175.55 173.47 3i27 s LEU 249 N 1.39 4.34 -0.15 -1.29 1.43 0.16 -4.84 118.68 119.72 3i27 s LEU 249 Ca -0.02 0.42 -0.29 0.00 -1.03 0.00 0.00 54.13 53.20 3i27 s LEU 249 Cb -0.19 -2.10 -0.02 0.00 0.03 0.00 0.00 46.19 43.91 3i27 s LEU 249 CO 0.03 0.34 1.29 0.12 0.23 0.00 0.00 176.35 178.36 3i27 s PHE 250 N -0.61 2.79 -0.05 0.29 5.36 -1.26 -0.86 117.98 123.65 3i27 s PHE 250 Ca 0.13 0.95 0.01 0.00 -0.96 0.00 0.00 56.93 57.06 3i27 s PHE 250 Cb -0.12 -3.54 0.02 0.00 -0.34 0.00 0.00 43.02 39.05 3i27 s PHE 250 CO 0.03 -1.88 -0.05 -1.64 -1.46 0.00 0.00 175.22 170.22 3i27 s MET 251 N 3.44 0.85 0.51 10.12 -1.94 0.28 -4.97 119.30 127.58 3i27 s MET 251 Ca 0.57 -0.11 -0.21 0.00 -1.71 0.00 0.00 55.69 54.23 3i27 s MET 251 Cb -0.23 -0.86 -0.06 0.00 2.01 0.00 0.00 34.83 35.69 3i27 s MET 251 CO 0.17 -0.08 1.16 -1.21 -0.01 0.00 0.00 175.02 175.04 3i27 s GLU 252 N 0.94 3.50 0.58 2.03 2.02 -1.26 -0.52 118.70 125.99 3i27 s GLU 252 Ca -0.11 1.71 -0.19 0.00 0.02 0.00 0.00 54.97 56.41 3i27 s GLU 252 Cb -0.14 -2.18 -0.04 0.00 0.10 0.00 0.00 34.13 31.87 3i27 s GLU 252 CO 0.00 -0.75 1.21 -1.25 0.02 0.00 0.00 175.26 174.49 3i27 s PRO 253 N -3.02 3.02 0.00 0.39 0.04 -1.26 -4.86 135.00 129.31 3i27 s PRO 253 Ca 0.69 1.85 0.00 0.00 0.04 0.00 0.00 61.00 63.58 3i27 s PRO 253 Cb -0.27 -1.97 0.00 0.00 0.04 0.00 0.00 34.50 32.30 3i27 s PRO 253 CO 0.31 -1.17 0.00 0.41 0.04 0.00 0.00 177.00 176.59 3i27 n GLY 254 N 0.52 -0.56 3.63 0.56 0.00 -0.20 -4.97 105.19 104.17 3i27 n GLY 254 Ca 0.13 -1.35 -0.34 0.00 0.00 0.00 0.00 46.02 44.46 3i27 n GLY 254 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3i27 s THR 255 N -2.87 3.97 0.06 2.61 2.01 -1.26 -0.74 115.64 119.43 3i27 s THR 255 Ca 0.00 -0.38 0.02 0.00 0.31 0.00 0.00 61.69 61.64 3i27 s THR 255 Cb 0.00 -2.65 -0.03 0.00 0.01 0.00 0.00 72.50 69.83 3i27 s THR 255 CO 0.00 0.60 -0.07 -0.31 -0.69 0.00 0.00 174.62 174.15 3i27 s TYR 256 N -0.83 0.70 -0.22 4.92 2.02 0.55 -4.82 117.35 119.66 3i27 s TYR 256 Ca 0.13 -0.63 -0.15 0.00 -0.37 0.00 0.00 57.07 56.04 3i27 s TYR 256 Cb -0.11 -0.42 -0.04 0.00 -0.40 0.00 0.00 41.96 40.99 3i27 s TYR 256 CO 0.02 -0.12 0.36 -0.80 -1.57 0.00 0.00 175.55 173.44 3i27 s ASN 257 N -2.01 6.35 -0.58 2.29 -0.87 0.27 0.46 114.94 120.84 3i27 s ASN 257 Ca -0.04 0.41 -0.24 0.00 -1.57 0.00 0.00 52.86 51.42 3i27 s ASN 257 Cb -0.05 -2.21 0.05 0.00 -0.02 0.00 0.00 41.25 39.02 3i27 s ASN 257 CO -0.01 -0.09 0.94 0.00 -2.57 0.00 0.00 177.10 175.36 3i27 s ALA 258 N 1.49 3.15 0.12 0.60 0.00 0.13 -1.71 121.76 125.53 3i27 s ALA 258 Ca 0.17 -1.42 0.05 0.00 0.00 0.00 0.00 51.96 50.76 3i27 s ALA 258 Cb -0.15 -3.76 -0.04 0.00 0.00 0.00 0.00 23.12 19.17 3i27 s ALA 258 CO 0.08 -2.49 0.05 -1.12 0.00 0.00 0.00 175.76 172.28 3i27 s SER 259 N 3.07 5.22 -0.02 0.00 0.01 0.50 -2.40 113.70 120.07 3i27 s SER 259 Ca 0.28 -0.16 -0.07 0.00 1.31 0.00 0.00 55.95 57.30 3i27 s SER 259 Cb -0.14 -1.29 0.01 0.00 0.21 0.00 0.00 66.02 64.81 3i27 s SER 259 CO 0.16 0.14 0.16 0.28 0.41 0.00 0.00 173.24 174.39 3i27 s THR 260 N -1.49 0.06 -1.79 1.44 -1.32 -0.81 -1.43 115.64 110.30 3i27 s THR 260 Ca 0.28 -0.47 0.28 0.00 -1.21 0.00 0.00 61.69 60.57 3i27 s THR 260 Cb -0.11 -0.39 0.69 0.00 -1.51 0.00 0.00 72.50 71.18 3i27 s THR 260 CO 0.20 -0.26 2.01 1.33 -2.21 0.00 0.00 174.62 175.70 3i27 n VAL 261 N 1.90 0.04 0.00 5.08 0.24 -0.76 -2.38 118.33 122.44 3i27 n VAL 261 Ca -0.20 0.01 0.00 0.00 -2.04 0.00 0.00 64.34 62.11 3i27 n VAL 261 Cb 0.56 -0.56 0.00 0.00 -1.47 0.00 0.00 33.84 32.38 3i27 n VAL 261 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3i27 n GLY 262 N 0.89 4.20 5.00 7.63 0.00 -1.26 -3.45 105.19 118.20 3i27 n GLY 262 Ca 0.18 -1.53 0.00 0.00 0.00 0.00 0.00 46.02 44.67 3i27 n GLY 262 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3i27 n LYS 263 N -1.75 0.00 -3.07 1.61 3.00 -1.13 -4.84 118.16 111.98 3i27 n LYS 263 Ca 0.00 0.00 -0.40 0.00 -0.00 0.00 0.00 58.31 57.91 3i27 n LYS 263 Cb 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 35.03 34.98 3i27 n LYS 263 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.40 177.34 3i27 s PHE 264 N 0.00 3.63 -0.08 5.64 0.40 -1.26 0.89 117.98 127.20 3i27 s PHE 264 Ca 0.00 1.27 0.04 0.00 -0.60 0.00 0.00 56.93 57.64 3i27 s PHE 264 Cb 0.00 -2.76 0.00 0.00 0.51 0.00 0.00 43.02 40.77 3i27 s PHE 264 CO 0.00 0.17 -0.21 -1.17 0.70 0.00 0.00 175.22 174.71 3i27 s LEU 265 N 0.45 1.98 -0.13 -0.37 2.96 0.27 -4.73 118.68 119.11 3i27 s LEU 265 Ca 0.36 -0.47 -0.00 0.00 -0.22 0.00 0.00 54.13 53.80 3i27 s LEU 265 Cb -0.18 -1.23 0.02 0.00 0.50 0.00 0.00 46.19 45.30 3i27 s LEU 265 CO 0.19 0.15 -0.10 -0.69 -1.32 0.00 0.00 176.35 174.58 3i27 s VAL 266 N 0.27 1.20 -0.01 1.68 1.01 -1.25 -1.16 120.40 122.14 3i27 s VAL 266 Ca -0.13 -0.40 -0.04 0.00 0.00 0.00 0.00 61.98 61.41 3i27 s VAL 266 Cb -0.16 -1.19 -0.00 0.00 0.00 0.00 0.00 36.38 35.03 3i27 s VAL 266 CO 0.06 0.39 0.07 -0.72 0.00 0.00 0.00 175.10 174.90 3i27 s TYR 267 N 1.64 0.05 0.45 5.22 -0.85 -0.73 -4.68 117.35 118.45 3i27 s TYR 267 Ca 0.05 -0.11 -0.22 0.00 -0.52 0.00 0.00 57.07 56.27 3i27 s TYR 267 Cb -0.13 -0.06 -0.09 0.00 0.38 0.00 0.00 41.96 42.06 3i27 s TYR 267 CO -0.09 -0.17 1.02 -1.25 -1.52 0.00 0.00 175.55 173.54 3i27 s PRO 268 N -0.87 4.01 0.00 -3.49 0.04 -1.26 -0.09 135.00 133.34 3i27 s PRO 268 Ca -0.10 1.35 0.00 0.00 0.04 0.00 0.00 61.00 62.29 3i27 s PRO 268 Cb -0.06 -2.25 0.00 0.00 0.04 0.00 0.00 34.50 32.23 3i27 s PRO 268 CO 0.00 -0.25 0.07 0.25 0.04 0.00 0.00 177.00 177.12 3i27 n THR 269 N -0.61 0.00 -3.92 1.26 -2.24 -1.26 -4.85 114.28 102.65 3i27 n THR 269 Ca 0.07 -0.41 -0.09 0.00 -2.27 0.00 0.00 64.05 61.36 3i27 n THR 269 Cb 0.52 1.03 -0.08 0.00 -2.10 0.00 0.00 70.33 69.71 3i27 n THR 269 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 3i27 s LYS 270 N -0.67 0.85 0.06 -0.78 1.02 -1.26 -1.13 119.74 117.83 3i27 s LYS 270 Ca 0.00 -1.06 -0.26 0.00 0.02 0.00 0.00 55.97 54.67 3i27 s LYS 270 Cb 0.00 0.32 0.08 0.00 -0.52 0.00 0.00 37.83 37.71 3i27 s LYS 270 CO 0.00 -0.26 0.69 -1.54 -0.92 0.00 0.00 175.35 173.32 3i27 s SER 271 N -2.89 -0.54 -0.56 2.83 1.04 -1.02 -4.72 113.70 107.83 3i27 s SER 271 Ca 0.08 0.19 -0.22 0.00 0.48 0.00 0.00 55.95 56.48 3i27 s SER 271 Cb 0.05 0.53 0.05 0.00 0.10 0.00 0.00 66.02 66.76 3i27 s SER 271 CO -0.09 -0.79 0.84 -0.31 0.98 0.00 0.00 173.24 173.87 3i27 s TYR 272 N -2.89 2.86 0.10 5.02 1.51 -0.89 -1.08 117.35 121.97 3i27 s TYR 272 Ca -0.01 -0.31 -0.30 0.00 -1.01 0.00 0.00 57.07 55.43 3i27 s TYR 272 Cb -0.01 -3.94 -0.06 0.00 -0.11 0.00 0.00 41.96 37.84 3i27 s TYR 272 CO -0.06 -1.30 1.21 0.00 -1.11 0.00 0.00 175.55 174.29 3i27 s MET 274 N 0.74 0.45 0.00 0.00 -1.94 -0.57 -0.65 119.30 117.33 3i27 s MET 274 Ca 0.58 -0.72 0.00 0.00 -1.71 0.00 0.00 55.69 53.83 3i27 s MET 274 Cb -0.31 -0.10 0.00 0.00 2.01 0.00 0.00 34.83 36.43 3i27 s MET 274 CO 0.31 0.00 0.00 -0.40 -0.01 0.00 0.00 175.02 174.92 3i27 n ASP 275 N 1.44 0.00 -4.07 3.03 5.68 -1.14 0.14 116.55 121.63 3i27 n ASP 275 Ca -0.23 -0.87 -0.25 0.00 -0.50 0.00 0.00 54.79 52.94 3i27 n ASP 275 Cb 0.55 0.00 -0.16 0.00 -1.14 0.00 0.00 41.12 40.37 3i27 n ASP 275 CO 0.00 0.00 0.00 -0.89 -1.33 0.00 0.00 177.20 174.98 3i27 s THR 276 N 1.09 1.25 0.20 2.12 2.01 -1.26 -4.23 115.64 116.82 3i27 s THR 276 Ca 0.00 -0.58 0.07 0.00 0.31 0.00 0.00 61.69 61.49 3i27 s THR 276 Cb 0.00 -1.11 -0.04 0.00 0.01 0.00 0.00 72.50 71.36 3i27 s THR 276 CO 0.00 0.37 0.06 0.00 -0.69 0.00 0.00 174.62 174.37 3i27 s MET 277 N 0.39 2.59 0.00 4.92 0.23 -0.66 -4.78 119.30 121.98 3i27 s MET 277 Ca -0.10 -1.09 0.26 0.00 -1.03 0.00 0.00 55.69 53.73 3i27 s MET 277 Cb -0.14 -2.43 1.45 0.00 -1.53 0.00 0.00 34.83 32.19 3i27 s MET 277 CO 0.03 0.44 1.90 0.09 -2.03 0.00 0.00 175.02 175.45 3i27 n ASN 278 N -0.44 0.00 -4.39 -1.18 4.13 -1.26 -4.77 115.26 107.35 3i27 n ASN 278 Ca -0.09 -0.50 -0.20 0.00 1.68 0.00 0.00 54.58 55.48 3i27 n ASN 278 Cb 0.56 -0.13 -0.10 0.00 -1.54 0.00 0.00 39.78 38.57 3i27 n ASN 278 CO 0.00 0.00 0.00 0.27 0.28 0.00 0.00 177.26 177.81 3i27 s ILE 279 N -2.25 1.62 -0.24 2.41 -4.36 -1.26 -5.13 121.20 111.99 3i27 s ILE 279 Ca 0.33 -2.15 -0.03 0.00 -0.26 0.00 0.00 60.65 58.54 3i27 s ILE 279 Cb 0.18 -2.28 0.01 0.00 1.25 0.00 0.00 42.46 41.62 3i27 s ILE 279 CO 0.34 -0.42 -0.05 -0.89 0.24 0.00 0.00 174.94 174.16 3i27 s THR 280 N -3.03 3.09 -0.12 8.37 2.01 -1.26 -4.54 115.64 120.15 3i27 s THR 280 Ca 0.27 -0.83 0.01 0.00 0.31 0.00 0.00 61.69 61.44 3i27 s THR 280 Cb 0.02 -2.51 0.02 0.00 0.01 0.00 0.00 72.50 70.04 3i27 s THR 280 CO 0.10 0.27 -0.13 -0.69 -0.69 0.00 0.00 174.62 173.48 3i27 s VAL 281 N 1.39 1.38 0.46 3.82 1.01 -0.79 -5.04 120.40 122.64 3i27 s VAL 281 Ca 0.02 -0.54 -0.25 0.00 0.00 0.00 0.00 61.98 61.22 3i27 s VAL 281 Cb -0.16 -1.31 -0.08 0.00 0.00 0.00 0.00 36.38 34.83 3i27 s VAL 281 CO -0.04 0.42 1.38 -2.65 0.00 0.00 0.00 175.10 174.21 3i27 n PRO 282 N 4.58 2.08 -1.99 2.72 -0.02 -1.26 -4.39 135.00 136.72 3i27 n PRO 282 Ca -0.17 0.75 -0.29 0.00 -2.02 0.00 0.00 63.50 61.77 3i27 n PRO 282 Cb 0.50 -2.56 0.05 0.00 -0.02 0.00 0.00 33.50 31.48 3i27 n PRO 282 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 3i27 s VAL 283 N -1.21 3.11 -0.06 -1.45 -7.23 -0.56 -4.72 120.40 108.28 3i27 s VAL 283 Ca 0.63 0.25 0.05 0.00 -1.81 0.00 0.00 61.98 61.10 3i27 s VAL 283 Cb -0.46 -3.34 -0.02 0.00 0.56 0.00 0.00 36.38 33.13 3i27 s VAL 283 CO 0.56 -0.43 -0.21 -1.10 -0.31 0.00 0.00 175.10 173.62 3i27 s GLN 284 N -5.34 2.55 -0.02 4.82 -0.21 -0.01 0.76 119.66 122.21 3i27 s GLN 284 Ca 0.58 -0.83 0.02 0.00 0.02 0.00 0.00 55.36 55.16 3i27 s GLN 284 Cb -0.11 -2.25 0.00 0.00 1.00 0.00 0.00 33.01 31.65 3i27 s GLN 284 CO 0.50 0.46 -0.07 0.00 -2.12 0.00 0.00 175.29 174.06 3i27 s ALA 285 N -0.35 0.66 -0.17 6.09 0.00 0.10 0.13 121.76 128.22 3i27 s ALA 285 Ca 0.02 -0.26 -0.05 0.00 0.00 0.00 0.00 51.96 51.67 3i27 s ALA 285 Cb -0.12 -0.23 -0.03 0.00 0.00 0.00 0.00 23.12 22.73 3i27 s ALA 285 CO 0.02 0.12 -0.00 0.08 0.00 0.00 0.00 175.76 175.98 3i27 s VAL 286 N 0.10 4.13 0.05 0.00 1.01 -0.03 -0.20 120.40 125.47 3i27 s VAL 286 Ca -0.01 -0.27 -0.38 0.00 0.00 0.00 0.00 61.98 61.33 3i27 s VAL 286 Cb -0.06 -2.84 -0.19 0.00 0.00 0.00 0.00 36.38 33.29 3i27 s VAL 286 CO -0.00 0.47 1.08 1.67 0.00 0.00 0.00 175.10 178.32 3i27 n GLN 287 N 3.69 0.33 -3.90 2.72 -0.06 0.57 -4.67 117.38 116.06 3i27 n GLN 287 Ca -0.17 0.12 -0.30 0.00 -2.00 0.00 0.00 57.00 54.64 3i27 n GLN 287 Cb 0.52 -1.60 -0.15 0.00 -4.06 0.00 0.00 30.24 24.95 3i27 n GLN 287 CO 0.00 0.00 0.00 0.45 -0.20 0.00 0.00 177.06 177.31 3i27 s SER 288 N -0.00 4.19 0.16 1.69 0.15 -1.26 -4.85 113.70 113.77 3i27 s SER 288 Ca 0.86 -1.62 -0.04 0.00 0.70 0.00 0.00 55.95 55.85 3i27 s SER 288 Cb -1.14 -1.22 -0.03 0.00 -1.71 0.00 0.00 66.02 61.92 3i27 s SER 288 CO 0.54 -0.34 0.16 0.27 1.20 0.00 0.00 173.24 175.08 3i27 s ILE 289 N 1.31 0.07 0.56 6.45 -4.36 -1.26 -4.17 121.20 119.80 3i27 s ILE 289 Ca 0.04 -1.73 -0.04 0.00 -0.26 0.00 0.00 60.65 58.65 3i27 s ILE 289 Cb -0.18 -2.04 0.00 0.00 1.25 0.00 0.00 42.46 41.49 3i27 s ILE 289 CO -0.12 -0.33 0.85 0.26 0.24 0.00 0.00 174.94 175.83 3i27 s TRP 290 N -4.04 3.26 1.03 1.37 0.52 -1.26 -4.96 118.94 114.86 3i27 s TRP 290 Ca 0.24 0.56 -0.13 0.00 0.02 0.00 0.00 56.10 56.78 3i27 s TRP 290 Cb 0.06 -2.63 0.13 0.00 -1.15 0.00 0.00 33.47 29.88 3i27 s TRP 290 CO 0.03 -0.70 0.61 -1.13 0.02 0.00 0.00 176.95 175.78 3i27 n SER 291 N -2.46 -1.52 0.31 2.95 3.41 -1.26 -4.58 113.62 110.47 3i27 n SER 291 Ca 0.04 0.15 0.19 0.00 -0.26 0.00 0.00 58.87 58.99 3i27 n SER 291 Cb 0.57 -1.22 1.03 0.00 -0.26 0.00 0.00 64.21 64.33 3i27 n SER 291 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 3i27 h GLU 292 N -1.99 0.00 0.00 4.33 5.08 -1.95 -2.28 114.58 117.77 3i27 h GLU 292 Ca -0.49 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.87 3i27 h GLU 292 Cb 1.31 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.56 3i27 h GLU 292 CO 0.40 0.00 0.00 -0.56 -1.00 0.00 0.00 179.01 177.85 3i27 h GLN 293 N 0.00 0.00 -6.30 2.33 -0.00 -1.99 -3.45 115.11 105.71 3i27 h GLN 293 Ca 0.02 0.00 -0.59 0.00 -0.00 0.00 0.00 58.65 58.08 3i27 h GLN 293 Cb 0.19 0.00 -0.10 0.00 -0.00 0.00 0.00 27.48 27.57 3i27 h GLN 293 CO -0.00 0.00 -0.64 0.71 -0.00 0.00 0.00 178.83 178.90 3i27 s TYR 294 N -3.43 2.87 -0.15 0.06 1.51 -0.86 -5.09 117.35 112.28 3i27 s TYR 294 Ca 0.04 -0.13 -0.27 0.00 -1.01 0.00 0.00 57.07 55.70 3i27 s TYR 294 Cb 0.09 -1.37 -0.01 0.00 -0.11 0.00 0.00 41.96 40.55 3i27 s TYR 294 CO 0.54 0.53 0.90 0.00 -1.11 0.00 0.00 175.55 176.42 3i27 s ALA 295 N -1.83 3.48 0.45 3.71 0.00 -1.26 -4.80 121.76 121.51 3i27 s ALA 295 Ca 0.29 0.17 0.05 0.00 0.00 0.00 0.00 51.96 52.46 3i27 s ALA 295 Cb -0.09 -3.31 0.05 0.00 0.00 0.00 0.00 23.12 19.77 3i27 s ALA 295 CO 0.20 -0.64 0.40 0.43 0.00 0.00 0.00 175.76 176.15 3i27 n SER 296 N 5.16 2.29 -4.19 0.00 7.64 -1.26 -2.17 113.62 121.09 3i27 n SER 296 Ca 0.06 -2.49 -0.12 0.00 1.01 0.00 0.00 58.87 57.34 3i27 n SER 296 Cb 0.49 -0.10 -0.10 0.00 -1.01 0.00 0.00 64.21 63.49 3i27 n SER 296 CO 0.00 0.00 0.00 1.51 -3.01 0.00 0.00 175.04 173.54 3i27 s ASP 297 N -3.69 0.19 -0.45 6.43 -4.77 -1.26 -4.52 116.67 108.60 3i27 s ASP 297 Ca 0.30 -1.36 0.04 0.00 -3.30 0.00 0.00 52.55 48.23 3i27 s ASP 297 Cb -0.02 0.36 0.48 0.00 -1.09 0.00 0.00 42.92 42.65 3i27 s ASP 297 CO 0.19 -0.82 1.63 -0.67 0.70 0.00 0.00 175.17 176.20 3i27 n ASP 298 N -0.24 5.40 -0.02 2.11 2.03 -1.26 -4.75 116.55 119.82 3i27 n ASP 298 Ca 0.01 -3.77 -0.03 0.00 0.52 0.00 0.00 54.79 51.53 3i27 n ASP 298 Cb 0.66 -0.69 0.22 0.00 -0.72 0.00 0.00 41.12 40.59 3i27 n ASP 298 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3i27 h ALA 299 N 1.78 1.19 -0.10 -1.67 0.00 -1.96 -0.60 119.26 117.89 3i27 h ALA 299 Ca 0.45 -0.28 -0.08 0.00 0.00 0.00 0.00 54.91 55.00 3i27 h ALA 299 Cb 1.39 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 19.04 3i27 h ALA 299 CO 1.04 0.52 -0.26 0.82 0.00 0.00 0.00 179.25 181.37 3i27 h ILE 300 N 0.53 1.40 -0.99 0.00 1.08 -1.94 -0.61 117.51 116.97 3i27 h ILE 300 Ca 0.10 -1.59 0.04 0.00 -0.39 0.00 0.00 64.86 63.01 3i27 h ILE 300 Cb 0.51 2.18 -0.06 0.00 -3.07 0.00 0.00 36.82 36.38 3i27 h ILE 300 CO 0.03 0.46 0.65 1.23 -0.69 0.00 0.00 178.15 179.83 3i27 h GLY 301 N -0.11 1.44 1.90 5.37 0.00 -1.87 0.33 103.07 110.13 3i27 h GLY 301 Ca -0.01 -0.49 -0.16 0.00 0.00 0.00 0.00 47.33 46.67 3i27 h GLY 301 CO 0.06 0.42 -0.73 1.46 0.00 0.00 0.00 176.54 177.75 3i27 h GLN 302 N 1.25 0.10 0.08 4.80 1.08 -1.05 -3.22 115.11 118.15 3i27 h GLN 302 Ca 0.39 -0.09 -0.26 0.00 -1.45 0.00 0.00 58.65 57.25 3i27 h GLN 302 Cb -0.00 0.02 0.01 0.00 -0.05 0.00 0.00 27.48 27.45 3i27 h GLN 302 CO -0.12 0.79 -1.13 0.00 -0.95 0.00 0.00 178.83 177.42 3i27 h ALA 303 N 1.19 0.20 -1.70 3.87 0.00 -0.71 -3.42 119.26 118.68 3i27 h ALA 303 Ca -0.02 -0.80 -0.66 0.00 0.00 0.00 0.00 54.91 53.43 3i27 h ALA 303 Cb 1.29 0.01 -0.15 0.00 0.00 0.00 0.00 17.79 18.94 3i27 h ALA 303 CO 0.10 0.88 1.00 0.00 0.00 0.00 0.00 179.25 181.23 3i27 s LYS 305 N 3.36 1.19 0.54 0.00 1.02 -1.26 -4.48 119.74 120.11 3i27 s LYS 305 Ca 0.36 -1.36 -0.22 0.00 0.02 0.00 0.00 55.97 54.77 3i27 s LYS 305 Cb -0.04 -1.18 -0.05 0.00 -0.52 0.00 0.00 37.83 36.03 3i27 s LYS 305 CO -0.09 0.24 1.33 0.00 -0.92 0.00 0.00 175.35 175.91 3i27 n ALA 306 N 0.36 1.49 0.77 5.17 0.00 -1.24 -1.78 120.51 125.29 3i27 n ALA 306 Ca -0.14 0.13 0.12 0.00 0.00 0.00 0.00 53.44 53.55 3i27 n ALA 306 Cb 0.57 -2.34 0.25 0.00 0.00 0.00 0.00 19.45 17.94 3i27 n ALA 306 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 3i27 n PRO 307 N -0.91 2.22 -0.00 0.00 -0.04 -1.26 -4.86 135.00 130.15 3i27 n PRO 307 Ca 0.10 -1.83 0.10 0.00 -0.04 0.00 0.00 63.50 61.84 3i27 n PRO 307 Cb 0.44 -1.47 -0.12 0.00 -0.04 0.00 0.00 33.50 32.31 3i27 n PRO 307 CO 0.00 0.00 0.00 2.48 -0.04 0.00 0.00 175.50 177.94 3i27 n TYR 308 N 1.09 0.01 -3.78 0.54 0.18 -0.99 -4.69 117.16 109.52 3i27 n TYR 308 Ca 0.17 0.00 -0.13 0.00 1.88 0.00 0.00 57.90 59.83 3i27 n TYR 308 Cb 0.52 -0.18 -0.12 0.00 -0.38 0.00 0.00 39.34 39.18 3i27 n TYR 308 CO 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 176.86 174.78 3i27 s ILE 310 N 0.36 4.57 -0.27 0.00 1.01 0.23 -3.64 121.20 123.47 3i27 s ILE 310 Ca -0.02 -0.44 -0.12 0.00 0.00 0.00 0.00 60.65 60.06 3i27 s ILE 310 Cb -0.03 -3.34 -0.05 0.00 0.01 0.00 0.00 42.46 39.05 3i27 s ILE 310 CO -0.02 0.06 0.24 0.12 0.00 0.00 0.00 174.94 175.35 3i27 s PHE 311 N 1.61 3.24 -0.48 3.97 5.36 -1.26 -0.72 117.98 129.69 3i27 s PHE 311 Ca 0.04 0.22 -0.11 0.00 -0.96 0.00 0.00 56.93 56.12 3i27 s PHE 311 Cb -0.17 -2.43 0.11 0.00 -0.34 0.00 0.00 43.02 40.19 3i27 s PHE 311 CO 0.06 -0.16 0.37 0.71 -1.46 0.00 0.00 175.22 174.74 3i27 s TYR 312 N 1.78 3.35 0.64 10.12 2.02 0.73 -4.94 117.35 131.04 3i27 s TYR 312 Ca 0.10 -1.57 -0.11 0.00 -0.37 0.00 0.00 57.07 55.11 3i27 s TYR 312 Cb -0.16 -3.42 -0.03 0.00 -0.40 0.00 0.00 41.96 37.95 3i27 s TYR 312 CO 0.10 -0.95 1.04 1.21 -1.57 0.00 0.00 175.55 175.38 3i27 s ASN 313 N 2.76 6.09 0.02 2.29 3.84 -1.26 -0.31 114.94 128.36 3i27 s ASN 313 Ca 0.04 1.37 -0.19 0.00 0.21 0.00 0.00 52.86 54.29 3i27 s ASN 313 Cb -0.26 -2.37 -0.06 0.00 -0.55 0.00 0.00 41.25 38.01 3i27 s ASN 313 CO 0.01 -0.95 0.54 -0.54 -2.79 0.00 0.00 177.10 173.37 3i27 s LYS 314 N -5.21 4.20 0.00 0.43 1.02 -1.26 -4.83 119.74 114.08 3i27 s LYS 314 Ca 0.56 0.64 0.20 0.00 0.02 0.00 0.00 55.97 57.39 3i27 s LYS 314 Cb -0.11 -3.29 -0.08 0.00 -0.52 0.00 0.00 37.83 33.83 3i27 s LYS 314 CO 0.54 0.52 0.93 0.25 -0.92 0.00 0.00 175.35 176.67 3i27 n THR 315 N 2.25 0.00 -4.45 2.17 -2.24 -1.26 -4.95 114.28 105.80 3i27 n THR 315 Ca -0.10 -0.20 -0.24 0.00 -2.27 0.00 0.00 64.05 61.25 3i27 n THR 315 Cb 0.51 1.15 -0.10 0.00 -2.10 0.00 0.00 70.33 69.79 3i27 n THR 315 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 3i27 s THR 316 N -2.47 2.39 1.03 4.28 -4.23 -1.26 -5.14 115.64 110.24 3i27 s THR 316 Ca 0.13 -2.34 -0.12 0.00 -1.18 0.00 0.00 61.69 58.19 3i27 s THR 316 Cb 0.16 -2.25 0.21 0.00 1.34 0.00 0.00 72.50 71.96 3i27 s THR 316 CO 0.61 -0.38 1.07 -2.84 -0.54 0.00 0.00 174.62 172.55 3i27 s PRO 317 N -3.40 0.15 -0.53 3.99 0.02 -1.26 -4.89 135.00 129.08 3i27 s PRO 317 Ca 0.28 0.94 -0.27 0.00 0.02 0.00 0.00 61.00 61.96 3i27 s PRO 317 Cb -0.05 -1.67 -0.02 0.00 0.02 0.00 0.00 34.50 32.78 3i27 s PRO 317 CO 0.14 -3.03 1.78 -0.47 -0.33 0.00 0.00 177.00 175.08 3i27 s TYR 318 N -2.68 1.80 -0.18 6.54 5.04 -1.26 -4.95 117.35 121.66 3i27 s TYR 318 Ca 0.66 0.71 0.01 0.00 -2.44 0.00 0.00 57.07 56.01 3i27 s TYR 318 Cb -0.22 -4.14 0.01 0.00 0.35 0.00 0.00 41.96 37.96 3i27 s TYR 318 CO 0.61 -2.42 -0.18 0.99 -1.34 0.00 0.00 175.55 173.20 3i27 s THR 319 N 8.03 2.23 -0.21 4.34 2.01 -1.26 -4.58 115.64 126.21 3i27 s THR 319 Ca 0.68 -0.89 -0.01 0.00 0.31 0.00 0.00 61.69 61.78 3i27 s THR 319 Cb -0.15 -1.94 0.01 0.00 0.01 0.00 0.00 72.50 70.43 3i27 s THR 319 CO 0.25 0.53 -0.11 -0.69 -0.69 0.00 0.00 174.62 173.90 3i27 s VAL 320 N 1.20 2.73 -0.08 3.82 1.01 -1.26 -1.87 120.40 125.95 3i27 s VAL 320 Ca 0.02 -0.76 0.01 0.00 0.00 0.00 0.00 61.98 61.26 3i27 s VAL 320 Cb -0.14 -2.23 -0.06 0.00 0.00 0.00 0.00 36.38 33.96 3i27 s VAL 320 CO -0.09 0.45 -0.06 0.35 0.00 0.00 0.00 175.10 175.74 3i27 n THR 321 N 4.70 0.47 -3.69 3.92 -2.24 -1.26 -4.80 114.28 111.37 3i27 n THR 321 Ca -0.19 -0.19 -0.27 0.00 -2.27 0.00 0.00 64.05 61.12 3i27 n THR 321 Cb 0.50 -0.80 -0.11 0.00 -2.10 0.00 0.00 70.33 67.83 3i27 n THR 321 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 3i27 n ASN 322 N -2.68 2.62 -1.56 3.42 5.15 -1.26 -5.09 115.26 115.85 3i27 n ASN 322 Ca -0.14 -3.14 -0.05 0.00 -0.60 0.00 0.00 54.58 50.65 3i27 n ASN 322 Cb 0.66 -0.71 -0.02 0.00 -0.53 0.00 0.00 39.78 39.19 3i27 n ASN 322 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 3i27 n GLY 323 N 1.79 3.59 0.08 8.20 0.00 -1.26 -4.91 105.19 112.68 3i27 n GLY 323 Ca 0.24 -1.67 -0.07 0.00 0.00 0.00 0.00 46.02 44.51 3i27 n GLY 323 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3i27 h SER 324 N 0.52 0.00 -0.76 1.61 4.64 -1.46 -3.47 113.55 114.63 3i27 h SER 324 Ca -0.06 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.26 3i27 h SER 324 Cb 0.31 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.40 3i27 h SER 324 CO 0.09 0.95 0.00 -0.90 -0.87 0.00 0.00 176.83 176.10 3i27 n ASP 325 N -3.06 0.00 0.22 4.97 5.68 -1.26 -5.01 116.55 118.09 3i27 n ASP 325 Ca -0.14 -0.71 0.15 0.00 -0.50 0.00 0.00 54.79 53.59 3i27 n ASP 325 Cb 1.01 0.00 0.71 0.00 -1.14 0.00 0.00 41.12 41.70 3i27 n ASP 325 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3i27 h ALA 326 N 1.93 1.00 0.00 2.12 0.00 -1.95 -3.20 119.26 119.17 3i27 h ALA 326 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3i27 h ALA 326 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 3i27 h ALA 326 CO 0.00 0.00 -0.03 0.09 0.00 0.00 0.00 179.25 179.31 3i27 n ASN 327 N -2.66 2.20 -3.67 0.00 3.02 -1.26 -4.58 115.26 108.31 3i27 n ASN 327 Ca 0.00 -3.01 -0.19 0.00 -0.03 0.00 0.00 54.58 51.34 3i27 n ASN 327 Cb 0.19 -0.41 -0.18 0.00 -0.61 0.00 0.00 39.78 38.77 3i27 n ASN 327 CO 0.00 0.00 0.00 -1.00 -2.62 0.00 0.00 177.26 173.64 3i27 s HIS 328 N -2.69 0.03 0.00 3.10 3.76 -1.21 -4.94 115.29 113.34 3i27 s HIS 328 Ca 0.30 0.30 0.00 0.00 -0.15 0.00 0.00 55.06 55.51 3i27 s HIS 328 Cb 0.26 -0.44 0.00 0.00 1.11 0.00 0.00 32.58 33.51 3i27 s HIS 328 CO 0.03 -0.20 0.00 0.41 -0.85 0.00 0.00 174.74 174.13 3i27 n GLY 329 N 5.26 0.61 3.69 -2.22 0.00 -1.26 -3.18 105.19 108.09 3i27 n GLY 329 Ca -0.04 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.56 3i27 n GLY 329 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3i27 s ASP 330 N -0.87 6.87 0.12 1.61 3.68 -1.26 -4.35 116.67 122.48 3i27 s ASP 330 Ca 0.00 2.10 -0.20 0.00 2.13 0.00 0.00 52.55 56.57 3i27 s ASP 330 Cb 0.00 -2.56 -0.04 0.00 -1.45 0.00 0.00 42.92 38.87 3i27 s ASP 330 CO 0.00 -0.69 1.71 0.44 0.13 0.00 0.00 175.17 176.75 3i27 h ASP 331 N 7.70 -0.16 -0.66 -0.34 3.32 -1.76 -0.53 116.42 124.00 3i27 h ASP 331 Ca -0.38 0.05 -0.01 0.00 0.02 0.00 0.00 57.03 56.72 3i27 h ASP 331 Cb 1.18 0.11 -0.03 0.00 0.22 0.00 0.00 39.33 40.81 3i27 h ASP 331 CO 0.90 -0.05 0.38 -0.08 -1.72 0.00 0.00 179.24 178.66 3i27 h GLU 332 N 0.01 0.90 -0.02 3.56 4.81 -1.92 -1.19 114.58 120.72 3i27 h GLU 332 Ca 0.09 -0.09 -0.24 0.00 -0.13 0.00 0.00 59.36 58.99 3i27 h GLU 332 Cb 0.13 -0.18 0.01 0.00 0.63 0.00 0.00 28.75 29.33 3i27 h GLU 332 CO -0.18 0.65 -0.94 0.28 -0.73 0.00 0.00 179.01 178.09 3i27 h VAL 333 N 0.89 1.35 -0.96 0.32 2.07 -1.88 -0.37 116.25 117.66 3i27 h VAL 333 Ca 0.23 -2.32 0.13 0.00 0.82 0.00 0.00 66.70 65.56 3i27 h VAL 333 Cb -0.00 2.34 -0.09 0.00 -1.52 0.00 0.00 31.29 32.02 3i27 h VAL 333 CO -0.04 0.70 0.59 0.03 0.02 0.00 0.00 177.57 178.87 3i27 h ARG 334 N 0.32 0.88 -0.07 1.57 3.08 -0.85 0.28 114.38 119.59 3i27 h ARG 334 Ca -0.09 -0.05 -0.02 0.00 0.07 0.00 0.00 59.98 59.89 3i27 h ARG 334 Cb 1.58 -0.20 -0.00 0.00 0.08 0.00 0.00 29.97 31.43 3i27 h ARG 334 CO 0.17 0.58 -0.04 1.98 -1.07 0.00 0.00 179.97 181.60 3i27 h MET 335 N 0.91 0.15 -0.44 0.04 4.05 -0.98 -2.86 114.93 115.80 3i27 h MET 335 Ca 0.49 -0.07 0.08 0.00 -0.28 0.00 0.00 59.70 59.92 3i27 h MET 335 Cb 0.52 -0.00 -0.07 0.00 -0.80 0.00 0.00 31.60 31.25 3i27 h MET 335 CO -0.28 0.53 0.02 0.52 0.23 0.00 0.00 176.91 177.93 3i27 h MET 336 N -0.23 0.13 0.00 0.39 2.86 -0.59 -2.51 114.93 114.97 3i27 h MET 336 Ca 0.02 -0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.65 3i27 h MET 336 Cb 0.49 -0.03 0.00 0.00 0.06 0.00 0.00 31.60 32.12 3i27 h MET 336 CO 0.01 0.08 0.00 0.52 1.06 0.00 0.00 176.91 178.59 3i27 h MET 337 N 0.13 0.00 -0.27 1.72 2.07 -0.39 -1.40 114.93 116.79 3i27 h MET 337 Ca 0.22 0.00 0.08 0.00 -2.07 0.00 0.00 59.70 57.92 3i27 h MET 337 Cb 0.31 0.00 -0.01 0.00 -1.87 0.00 0.00 31.60 30.03 3i27 h MET 337 CO -0.34 0.00 0.20 1.96 1.07 0.00 0.00 176.91 179.80 3i27 h GLN 338 N 0.00 0.00 -1.07 1.72 1.08 -1.21 -1.71 115.11 113.92 3i27 h GLN 338 Ca 0.00 0.00 0.28 0.00 -1.45 0.00 0.00 58.65 57.48 3i27 h GLN 338 Cb 0.20 0.00 -0.09 0.00 -0.05 0.00 0.00 27.48 27.53 3i27 h GLN 338 CO 0.00 0.00 0.70 0.78 -0.95 0.00 0.00 178.83 179.36 3i27 h GLY 339 N 0.00 1.08 1.90 3.46 0.00 -1.38 -0.27 103.07 107.85 3i27 h GLY 339 Ca 0.13 -0.18 0.00 0.00 0.00 0.00 0.00 47.33 47.28 3i27 h GLY 339 CO -0.00 -0.14 0.00 1.04 0.00 0.00 0.00 176.54 177.44 3i27 n LEU 340 N -4.58 0.00 -0.04 3.11 4.77 -0.64 -2.74 117.00 116.88 3i27 n LEU 340 Ca 0.26 0.45 0.14 0.00 -0.03 0.00 0.00 56.01 56.83 3i27 n LEU 340 Cb 0.95 -0.45 0.64 0.00 -2.33 0.00 0.00 43.42 42.23 3i27 n LEU 340 CO 0.27 -0.17 0.91 0.18 -1.33 0.00 0.00 177.39 177.25 3i27 n LEU 341 N -1.45 0.19 -4.72 2.23 4.77 -0.11 -4.84 117.00 113.07 3i27 n LEU 341 Ca 0.06 0.22 -0.34 0.00 -0.03 0.00 0.00 56.01 55.91 3i27 n LEU 341 Cb 0.20 -0.30 -0.08 0.00 -2.33 0.00 0.00 43.42 40.91 3i27 n LEU 341 CO 0.16 0.04 -0.28 -0.13 -1.33 0.00 0.00 177.39 175.85 3i27 s ARG 342 N -2.68 3.02 -0.86 3.23 0.52 -1.11 -5.05 118.95 116.03 3i27 s ARG 342 Ca 0.24 -0.42 -0.22 0.00 -0.52 0.00 0.00 55.73 54.80 3i27 s ARG 342 Cb 0.20 -2.83 0.07 0.00 0.52 0.00 0.00 34.95 32.91 3i27 s ARG 342 CO 0.50 0.69 1.21 -0.80 0.02 0.00 0.00 175.30 176.92 3i27 s ASN 343 N -1.18 6.40 0.63 0.23 0.01 -1.26 -4.40 114.94 115.36 3i27 s ASN 343 Ca 0.16 -1.33 -0.03 0.00 -0.71 0.00 0.00 52.86 50.96 3i27 s ASN 343 Cb -0.12 -2.48 0.04 0.00 0.41 0.00 0.00 41.25 39.11 3i27 s ASN 343 CO 0.06 -1.43 0.90 -0.44 -1.51 0.00 0.00 177.10 174.68 3i27 s SER 344 N 4.06 5.08 -0.01 -1.22 0.01 -0.70 -4.91 113.70 116.01 3i27 s SER 344 Ca 0.34 0.26 0.08 0.00 1.31 0.00 0.00 55.95 57.94 3i27 s SER 344 Cb -0.07 -1.04 -0.12 0.00 0.21 0.00 0.00 66.02 65.00 3i27 s SER 344 CO -0.01 -1.35 0.21 -1.20 0.41 0.00 0.00 173.24 171.30 3i27 n SER 345 N -2.63 2.60 -3.82 2.44 7.64 0.07 -4.23 113.62 115.68 3i27 n SER 345 Ca 0.08 -0.14 -0.18 0.00 1.01 0.00 0.00 58.87 59.63 3i27 n SER 345 Cb 0.60 1.29 -0.16 0.00 -1.01 0.00 0.00 64.21 64.93 3i27 n SER 345 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3i27 s ILE 347 N 1.16 2.89 0.27 0.00 -1.09 -0.77 -1.18 121.20 122.49 3i27 s ILE 347 Ca -0.08 -0.75 -0.20 0.00 -2.23 0.00 0.00 60.65 57.39 3i27 s ILE 347 Cb -0.13 -2.16 0.02 0.00 -1.58 0.00 0.00 42.46 38.60 3i27 s ILE 347 CO -0.02 0.56 0.68 -0.94 -1.23 0.00 0.00 174.94 173.99 3i27 s SER 348 N -0.16 -0.23 0.63 3.58 1.04 -0.96 -1.59 113.70 116.01 3i27 s SER 348 Ca -0.01 -0.66 0.36 0.00 0.48 0.00 0.00 55.95 56.12 3i27 s SER 348 Cb -0.14 0.70 2.01 0.00 0.10 0.00 0.00 66.02 68.70 3i27 s SER 348 CO 0.03 -1.31 2.21 -0.65 0.98 0.00 0.00 173.24 174.51 3i27 h PRO 349 N 2.04 0.00 -0.00 4.02 0.11 -1.77 -0.23 132.00 136.17 3i27 h PRO 349 Ca -0.20 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.91 3i27 h PRO 349 Cb 1.25 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.36 3i27 h PRO 349 CO 0.25 0.00 -0.07 1.04 -0.21 0.00 0.00 178.00 179.02 3i27 n GLN 350 N -3.37 0.34 0.00 1.05 3.00 -1.26 -4.84 117.38 112.30 3i27 n GLN 350 Ca -0.02 -0.06 0.00 0.00 -0.01 0.00 0.00 57.00 56.92 3i27 n GLN 350 Cb 0.18 -1.50 0.00 0.00 0.00 0.00 0.00 30.24 28.93 3i27 n GLN 350 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 3i27 n GLY 351 N 1.36 -0.70 3.89 1.08 0.00 -0.10 -3.81 105.19 106.91 3i27 n GLY 351 Ca 0.12 -2.16 -0.25 0.00 0.00 0.00 0.00 46.02 43.73 3i27 n GLY 351 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3i27 s SER 352 N -4.00 5.98 0.08 1.61 1.04 -0.76 -2.25 113.70 115.39 3i27 s SER 352 Ca 0.00 0.02 0.01 0.00 0.48 0.00 0.00 55.95 56.46 3i27 s SER 352 Cb 0.00 -1.70 -0.04 0.00 0.10 0.00 0.00 66.02 64.39 3i27 s SER 352 CO 0.00 0.03 -0.06 0.42 0.98 0.00 0.00 173.24 174.62 3i27 s THR 353 N -1.81 0.54 0.74 2.02 -4.23 -0.32 -1.14 115.64 111.44 3i27 s THR 353 Ca 0.33 -1.81 -0.13 0.00 -1.18 0.00 0.00 61.69 58.91 3i27 s THR 353 Cb -0.10 -1.52 0.17 0.00 1.34 0.00 0.00 72.50 72.39 3i27 s THR 353 CO 0.26 -0.86 0.96 -0.81 -0.54 0.00 0.00 174.62 173.64 3i27 n PRO 354 N 0.16 -1.12 -2.13 3.99 -0.04 -1.26 -0.75 135.00 133.84 3i27 n PRO 354 Ca -0.14 -1.49 -0.42 0.00 -0.04 0.00 0.00 63.50 61.41 3i27 n PRO 354 Cb 0.60 -1.03 -0.03 0.00 -0.04 0.00 0.00 33.50 33.01 3i27 n PRO 354 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 3i27 s LEU 355 N 0.00 4.31 -0.01 1.53 2.96 -1.26 -4.58 118.68 121.63 3i27 s LEU 355 Ca 0.55 2.16 -0.29 0.00 -0.22 0.00 0.00 54.13 56.33 3i27 s LEU 355 Cb -0.02 -3.55 0.08 0.00 0.50 0.00 0.00 46.19 43.20 3i27 s LEU 355 CO 0.39 -0.82 0.69 0.00 -1.32 0.00 0.00 176.35 175.30 3i27 s ALA 356 N 3.10 -1.75 0.06 5.97 0.00 -1.26 -5.06 121.76 122.83 3i27 s ALA 356 Ca 0.67 1.14 -0.18 0.00 0.00 0.00 0.00 51.96 53.59 3i27 s ALA 356 Cb -0.32 0.16 -0.12 0.00 0.00 0.00 0.00 23.12 22.84 3i27 s ALA 356 CO 0.27 -0.47 1.37 -0.07 0.00 0.00 0.00 175.76 176.86 3i27 h LEU 357 N 2.70 0.50 -8.57 0.00 3.38 -1.93 -3.32 115.31 108.07 3i27 h LEU 357 Ca -0.28 -0.47 -0.54 0.00 0.09 0.00 0.00 57.88 56.68 3i27 h LEU 357 Cb 1.18 -0.14 -0.23 0.00 0.09 0.00 0.00 40.66 41.56 3i27 h LEU 357 CO 0.38 0.87 -0.82 -0.31 0.09 0.00 0.00 178.44 178.64 3i27 s TYR 358 N -4.34 1.69 -0.03 1.13 1.51 -1.26 -2.17 117.35 113.87 3i27 s TYR 358 Ca -0.14 -0.40 0.01 0.00 -1.01 0.00 0.00 57.07 55.54 3i27 s TYR 358 Cb 0.06 -0.96 -0.03 0.00 -0.11 0.00 0.00 41.96 40.92 3i27 s TYR 358 CO 0.78 0.14 -0.03 0.45 -1.11 0.00 0.00 175.55 175.77 3i27 s SER 359 N -1.56 4.90 0.50 2.29 0.15 0.52 -0.84 113.70 119.66 3i27 s SER 359 Ca 0.06 -0.02 0.32 0.00 0.70 0.00 0.00 55.95 57.01 3i27 s SER 359 Cb -0.09 -1.25 1.37 0.00 -1.71 0.00 0.00 66.02 64.33 3i27 s SER 359 CO 0.03 0.32 1.96 0.71 1.20 0.00 0.00 173.24 177.46 3i27 h THR 360 N 3.89 0.00 -4.12 6.45 1.35 -0.57 -1.76 112.91 118.14 3i27 h THR 360 Ca -0.49 -0.41 -0.14 0.00 -0.55 0.00 0.00 66.41 64.81 3i27 h THR 360 Cb 1.18 1.36 -0.18 0.00 -1.73 0.00 0.00 68.15 68.78 3i27 h THR 360 CO 0.54 0.00 -0.69 -1.83 -0.25 0.00 0.00 175.52 173.30 3i27 s GLU 361 N -3.63 0.49 0.13 4.72 -1.05 -1.26 -4.85 118.70 113.24 3i27 s GLU 361 Ca 0.01 -0.96 -0.35 0.00 -0.15 0.00 0.00 54.97 53.52 3i27 s GLU 361 Cb 0.09 0.16 -0.15 0.00 -0.44 0.00 0.00 34.13 33.79 3i27 s GLU 361 CO 0.50 -0.08 1.51 -0.12 0.95 0.00 0.00 175.26 178.01 3i27 n MET 362 N 0.74 1.81 -3.61 -4.83 0.00 -1.26 -4.63 117.12 105.34 3i27 n MET 362 Ca -0.18 0.65 -0.37 0.00 -0.00 0.00 0.00 57.70 57.80 3i27 n MET 362 Cb 0.58 -2.38 -0.10 0.00 0.00 0.00 0.00 33.22 31.32 3i27 n MET 362 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 175.97 176.39 3i27 s ILE 363 N 0.85 5.33 0.52 1.12 1.01 -1.26 -4.98 121.20 123.78 3i27 s ILE 363 Ca 0.81 0.19 0.06 0.00 0.00 0.00 0.00 60.65 61.71 3i27 s ILE 363 Cb -0.77 -3.53 0.04 0.00 0.01 0.00 0.00 42.46 38.22 3i27 s ILE 363 CO 0.41 0.29 0.71 -0.31 0.00 0.00 0.00 174.94 176.04 3i27 s TYR 364 N 1.47 2.42 0.20 3.97 2.02 -1.26 -5.05 117.35 121.11 3i27 s TYR 364 Ca 0.08 -0.35 -0.11 0.00 -0.37 0.00 0.00 57.07 56.32 3i27 s TYR 364 Cb -0.15 -2.51 -0.07 0.00 -0.40 0.00 0.00 41.96 38.83 3i27 s TYR 364 CO 0.08 -0.83 0.55 -1.21 -1.57 0.00 0.00 175.55 172.57 3i27 s GLU 365 N -4.61 3.86 0.27 -0.62 0.41 -1.26 -3.90 118.70 112.85 3i27 s GLU 365 Ca 0.58 0.34 -0.20 0.00 -0.41 0.00 0.00 54.97 55.28 3i27 s GLU 365 Cb -0.09 -2.74 -0.09 0.00 -1.78 0.00 0.00 34.13 29.43 3i27 s GLU 365 CO 0.37 0.37 0.78 -1.25 -0.49 0.00 0.00 175.26 175.04 3i27 s PRO 366 N -2.53 4.27 0.08 0.39 0.05 -1.26 -4.84 135.00 131.16 3i27 s PRO 366 Ca 0.44 0.93 -0.05 0.00 0.05 0.00 0.00 61.00 62.37 3i27 s PRO 366 Cb -0.12 -2.74 -0.02 0.00 0.05 0.00 0.00 34.50 31.67 3i27 s PRO 366 CO 0.20 0.30 0.10 0.54 0.05 0.00 0.00 177.00 178.20 3i27 s ASN 367 N -1.79 0.27 0.15 6.66 2.20 -1.25 -3.71 114.94 117.46 3i27 s ASN 367 Ca 0.47 -0.83 -0.19 0.00 -0.94 0.00 0.00 52.86 51.37 3i27 s ASN 367 Cb -0.15 0.29 0.05 0.00 -2.00 0.00 0.00 41.25 39.43 3i27 s ASN 367 CO 0.20 -0.69 0.49 -0.72 -2.94 0.00 0.00 177.10 173.44 3i27 s TYR 368 N -3.90 -0.32 0.00 1.54 -0.85 -0.62 -4.99 117.35 108.20 3i27 s TYR 368 Ca 0.08 0.04 0.00 0.00 -0.52 0.00 0.00 57.07 56.67 3i27 s TYR 368 Cb 0.06 0.39 0.00 0.00 0.38 0.00 0.00 41.96 42.79 3i27 s TYR 368 CO -0.09 -0.78 0.00 0.41 -1.52 0.00 0.00 175.55 173.57 3i27 n GLY 369 N -0.29 -0.75 3.33 5.49 0.00 -1.26 -1.84 105.19 109.87 3i27 n GLY 369 Ca -0.16 -1.93 -0.40 0.00 0.00 0.00 0.00 46.02 43.53 3i27 n GLY 369 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3i27 s SER 370 N -4.00 5.63 -0.11 1.61 0.15 -0.31 -4.96 113.70 111.71 3i27 s SER 370 Ca 0.00 -1.14 -0.04 0.00 0.70 0.00 0.00 55.95 55.47 3i27 s SER 370 Cb 0.00 -1.98 -0.04 0.00 -1.71 0.00 0.00 66.02 62.29 3i27 s SER 370 CO 0.00 -0.41 0.04 0.00 1.20 0.00 0.00 173.24 174.07 3i27 s PRO 372 N -0.71 2.73 0.06 0.00 0.02 -1.25 -5.00 135.00 130.86 3i27 s PRO 372 Ca 0.12 1.68 -0.03 0.00 0.02 0.00 0.00 61.00 62.79 3i27 s PRO 372 Cb -0.12 -1.91 -0.05 0.00 0.02 0.00 0.00 34.50 32.44 3i27 s PRO 372 CO 0.02 -1.36 0.26 -0.65 -0.33 0.00 0.00 177.00 174.95 3i27 s GLN 373 N -3.67 3.52 0.13 5.54 -0.21 -0.92 -4.53 119.66 119.51 3i27 s GLN 373 Ca 0.74 -0.24 -0.31 0.00 0.02 0.00 0.00 55.36 55.56 3i27 s GLN 373 Cb -0.27 -3.01 -0.11 0.00 1.00 0.00 0.00 33.01 30.62 3i27 s GLN 373 CO 0.38 0.59 1.85 0.12 -2.12 0.00 0.00 175.29 176.11 3i27 s PHE 374 N -1.47 2.10 0.48 0.91 5.99 -1.26 -0.35 117.98 124.38 3i27 s PHE 374 Ca 0.33 -0.07 0.14 0.00 0.00 0.00 0.00 56.93 57.34 3i27 s PHE 374 Cb -0.13 -4.20 1.12 0.00 0.00 0.00 0.00 43.02 39.81 3i27 s PHE 374 CO 0.23 -4.99 2.08 0.10 -0.00 0.00 0.00 175.22 172.64 3i27 h TYR 375 N 8.66 0.06 -0.12 10.12 -0.00 -1.64 -1.98 116.97 132.07 3i27 h TYR 375 Ca -0.46 -0.00 -0.04 0.00 -0.00 0.00 0.00 58.73 58.23 3i27 h TYR 375 Cb 1.22 -0.02 -0.01 0.00 -0.00 0.00 0.00 36.73 37.92 3i27 h TYR 375 CO 0.80 0.11 -0.09 0.87 -0.00 0.00 0.00 178.16 179.85 3i27 h LYS 376 N 0.06 0.18 -0.22 0.10 1.57 -1.88 -1.57 116.57 114.80 3i27 h LYS 376 Ca 0.01 -0.03 0.06 0.00 -1.87 0.00 0.00 60.65 58.82 3i27 h LYS 376 Cb 0.12 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.39 3i27 h LYS 376 CO 0.01 0.28 0.20 -0.07 -0.57 0.00 0.00 179.45 179.30 3i27 h LEU 377 N 0.18 0.00 -1.46 2.94 3.38 -1.73 -3.56 115.31 115.06 3i27 h LEU 377 Ca 0.04 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.01 3i27 h LEU 377 Cb 0.27 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.02 3i27 h LEU 377 CO 0.01 0.00 0.00 0.49 0.09 0.00 0.00 178.44 179.03