#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i27 s PRO 17 N 0.00 -0.54 0.06 1.09 0.04 -1.26 -4.72 135.00 129.67 3i27 s PRO 17 Ca 0.00 0.51 0.01 0.00 0.04 0.00 0.00 61.00 61.55 3i27 s PRO 17 Cb 0.00 -1.63 -0.03 0.00 0.04 0.00 0.00 34.50 32.88 3i27 s PRO 17 CO 0.00 -3.38 -0.05 0.14 0.04 0.00 0.00 177.00 173.75 3i27 s VAL 18 N -2.75 0.39 -0.17 -0.36 -7.23 -0.17 -4.96 120.40 105.15 3i27 s VAL 18 Ca 0.67 -1.56 0.01 0.00 -1.81 0.00 0.00 61.98 59.29 3i27 s VAL 18 Cb -0.20 -1.19 0.01 0.00 0.56 0.00 0.00 36.38 35.57 3i27 s VAL 18 CO 0.60 -0.77 -0.19 -0.89 -0.31 0.00 0.00 175.10 173.54 3i27 s THR 19 N -2.96 2.21 0.17 5.32 2.01 -1.26 -0.48 115.64 120.65 3i27 s THR 19 Ca 0.01 -0.90 -0.33 0.00 0.31 0.00 0.00 61.69 60.78 3i27 s THR 19 Cb 0.01 -1.92 -0.15 0.00 0.01 0.00 0.00 72.50 70.45 3i27 s THR 19 CO -0.05 0.53 1.32 -2.65 -0.69 0.00 0.00 174.62 173.08 3i27 n PRO 20 N 4.42 1.52 -3.34 4.92 -0.02 -1.26 -4.82 135.00 136.42 3i27 n PRO 20 Ca -0.20 0.54 -0.41 0.00 -2.02 0.00 0.00 63.50 61.41 3i27 n PRO 20 Cb 0.51 -2.15 -0.09 0.00 -0.02 0.00 0.00 33.50 31.75 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 0.16 3.20 -0.07 6.00 6.14 -0.15 -4.81 117.35 127.82 3i27 s TYR 21 Ca 0.75 0.06 -0.30 0.00 0.64 0.00 0.00 57.07 58.23 3i27 s TYR 21 Cb -0.80 -2.77 -0.05 0.00 0.42 0.00 0.00 41.96 38.76 3i27 s TYR 21 CO 0.48 -0.47 1.60 -0.47 0.64 0.00 0.00 175.55 177.33 3i27 s TYR 22 N 2.17 2.10 0.00 4.97 6.14 -1.24 -1.62 117.35 129.87 3i27 s TYR 22 Ca 0.15 0.30 0.00 0.00 0.64 0.00 0.00 57.07 58.16 3i27 s TYR 22 Cb -0.16 -3.86 0.00 0.00 0.42 0.00 0.00 41.96 38.36 3i27 s TYR 22 CO 0.12 -3.57 0.00 0.41 0.64 0.00 0.00 175.55 173.16 3i27 n GLY 23 N 4.06 2.73 3.65 8.97 0.00 -1.26 -4.31 105.19 119.03 3i27 n GLY 23 Ca 0.17 -1.64 -0.30 0.00 0.00 0.00 0.00 46.02 44.25 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 -1.90 0.64 0.33 1.61 0.04 -1.26 -4.06 135.00 130.41 3i27 s PRO 24 Ca 0.00 0.97 -0.17 0.00 0.04 0.00 0.00 61.00 61.84 3i27 s PRO 24 Cb 0.00 -1.73 0.06 0.00 0.04 0.00 0.00 34.50 32.88 3i27 s PRO 24 CO 0.00 -2.71 0.87 0.20 0.04 0.00 0.00 177.00 175.41 3i27 s GLY 25 N -3.04 0.34 -0.04 0.56 0.00 -1.26 -3.39 107.32 100.48 3i27 s GLY 25 Ca 0.65 -0.68 -0.07 0.00 0.00 0.00 0.00 44.72 44.63 3i27 s GLY 25 CO 0.59 0.59 0.17 -2.38 0.00 0.00 0.00 173.10 172.07 3i27 s HIS 26 N -2.12 -0.10 -0.17 1.90 -3.43 -1.26 -4.96 115.29 105.16 3i27 s HIS 26 Ca 0.18 0.22 0.06 0.00 -0.80 0.00 0.00 55.06 54.72 3i27 s HIS 26 Cb -0.04 0.02 -0.22 0.00 -1.43 0.00 0.00 32.58 30.90 3i27 s HIS 26 CO 0.10 -0.19 0.17 -0.89 -2.00 0.00 0.00 174.74 171.93 3i27 n ILE 27 N 2.24 1.56 -4.45 -5.38 5.41 -1.26 -4.23 119.36 113.25 3i27 n ILE 27 Ca -0.17 -0.71 -0.28 0.00 1.00 0.00 0.00 62.75 62.59 3i27 n ILE 27 Cb 0.57 -1.18 -0.09 0.00 -0.71 0.00 0.00 39.64 38.23 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 -2.54 1.97 -0.39 1.39 -4.23 -1.26 -4.88 115.64 105.71 3i27 s THR 28 Ca -0.20 -1.88 0.26 0.00 -1.18 0.00 0.00 61.69 58.69 3i27 s THR 28 Cb 0.07 -2.86 0.28 0.00 1.34 0.00 0.00 72.50 71.34 3i27 s THR 28 CO 0.74 0.00 1.77 2.19 -0.54 0.00 0.00 174.62 178.78 3i27 h PHE 29 N 1.56 0.00 -2.50 3.99 -0.00 -2.02 -3.37 116.94 114.60 3i27 h PHE 29 Ca -0.43 0.00 -0.79 0.00 -0.00 0.00 0.00 57.97 56.75 3i27 h PHE 29 Cb 1.26 0.00 -0.24 0.00 -0.00 0.00 0.00 35.95 36.97 3i27 h PHE 29 CO 0.81 0.00 1.15 -3.47 -0.00 0.00 0.00 178.31 176.80 3i27 n ASP 30 N -2.43 5.86 -4.29 -0.68 2.03 -1.26 -4.94 116.55 110.85 3i27 n ASP 30 Ca 0.02 -3.26 -0.15 0.00 0.52 0.00 0.00 54.79 51.92 3i27 n ASP 30 Cb 0.27 -1.36 -0.10 0.00 -0.72 0.00 0.00 41.12 39.21 3i27 n ASP 30 CO 0.00 0.00 0.00 -1.66 -1.92 0.00 0.00 177.20 173.62 3i27 s TRP 31 N -1.42 1.40 0.12 -0.67 1.48 -1.26 -1.88 118.94 116.71 3i27 s TRP 31 Ca 0.34 -0.87 -0.11 0.00 -1.06 0.00 0.00 56.10 54.40 3i27 s TRP 31 Cb 0.04 -0.77 0.01 0.00 -1.16 0.00 0.00 33.47 31.59 3i27 s TRP 31 CO 0.05 -0.01 0.28 0.00 -4.06 0.00 0.00 176.95 173.21 3i27 s GLY 33 N -2.87 1.64 -0.07 0.00 0.00 0.10 -1.15 107.32 104.98 3i27 s GLY 33 Ca 0.07 -1.69 0.02 0.00 0.00 0.00 0.00 44.72 43.12 3i27 s GLY 33 CO -0.09 -1.75 -0.11 -1.36 0.00 0.00 0.00 173.10 169.79 3i27 s PHE 34 N -2.27 1.42 0.00 1.90 0.08 -0.41 -0.33 117.98 118.36 3i27 s PHE 34 Ca 0.23 -0.55 0.00 0.00 0.12 0.00 0.00 56.93 56.73 3i27 s PHE 34 Cb -0.05 -1.07 0.00 0.00 -0.57 0.00 0.00 43.02 41.33 3i27 s PHE 34 CO 0.10 -0.31 0.00 0.41 -0.10 0.00 0.00 175.22 175.32 3i27 n GLY 35 N 4.01 3.05 0.00 4.36 0.00 -0.54 -0.23 105.19 115.84 3i27 n GLY 35 Ca -0.21 -1.04 0.00 0.00 0.00 0.00 0.00 46.02 44.76 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 -0.72 0.00 -0.26 1.61 3.85 -1.24 -2.97 116.55 116.82 3i27 n ASP 36 Ca 0.00 0.00 0.16 0.00 -0.71 0.00 0.00 54.79 54.24 3i27 n ASP 36 Cb 0.00 0.00 0.45 0.00 -1.35 0.00 0.00 41.12 40.22 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 0.52 0.00 -1.12 4.64 -1.87 -1.39 113.55 114.32 3i27 h SER 37 Ca 0.00 0.05 0.00 0.00 -0.47 0.00 0.00 61.79 61.37 3i27 h SER 37 Cb 0.00 -0.05 0.00 0.00 -0.31 0.00 0.00 62.40 62.04 3i27 h SER 37 CO 0.00 0.23 0.00 0.54 -0.87 0.00 0.00 176.83 176.73 3i27 n ARG 38 N -4.55 0.73 -0.99 4.77 1.74 -1.26 -2.26 116.66 114.84 3i27 n ARG 38 Ca 0.19 0.00 0.02 0.00 -0.77 0.00 0.00 57.85 57.29 3i27 n ARG 38 Cb 0.60 -1.47 0.01 0.00 -1.02 0.00 0.00 32.46 30.59 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 -0.97 0.55 -4.19 0.55 3.41 -0.54 -0.78 113.62 111.64 3i27 n SER 39 Ca 0.17 -2.04 -0.36 0.00 -0.26 0.00 0.00 58.87 56.37 3i27 n SER 39 Cb 0.08 -0.26 -0.13 0.00 -0.26 0.00 0.00 64.21 63.64 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 -1.55 5.15 0.13 4.04 -1.08 -0.96 -4.74 116.67 117.66 3i27 s ASP 40 Ca 0.18 -1.44 0.22 0.00 -0.52 0.00 0.00 52.55 50.98 3i27 s ASP 40 Cb 0.20 -1.80 0.87 0.00 -1.46 0.00 0.00 42.92 40.73 3i27 s ASP 40 CO -0.08 -0.37 1.66 0.00 0.52 0.00 0.00 175.17 176.90 3i27 n THR 42 N -1.90 0.48 -1.68 0.00 -2.24 -1.26 -4.75 114.28 102.93 3i27 n THR 42 Ca 0.04 -0.24 -0.45 0.00 -2.27 0.00 0.00 64.05 61.12 3i27 n THR 42 Cb 0.25 -0.51 -0.04 0.00 -2.10 0.00 0.00 70.33 67.93 3i27 n THR 42 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 3i27 n ASN 43 N -2.13 3.40 -0.09 3.42 2.85 -0.97 -4.85 115.26 116.88 3i27 n ASN 43 Ca 0.06 1.05 0.11 0.00 -0.11 0.00 0.00 54.58 55.68 3i27 n ASN 43 Cb 0.42 -1.45 0.48 0.00 1.24 0.00 0.00 39.78 40.47 3i27 n ASN 43 CO 0.00 0.00 0.00 1.55 -2.11 0.00 0.00 177.26 176.70 3i27 h PRO 44 N 7.00 0.43 0.00 1.20 0.13 -1.90 -0.65 132.00 138.22 3i27 h PRO 44 Ca -0.46 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 3i27 h PRO 44 Cb 1.25 -0.10 0.00 0.00 0.13 0.00 0.00 31.00 32.28 3i27 h PRO 44 CO 0.92 0.29 0.00 1.04 -0.23 0.00 0.00 178.00 180.01 3i27 n GLN 45 N -4.47 0.79 -2.11 0.86 1.13 -1.26 -4.88 117.38 107.43 3i27 n GLN 45 Ca 0.10 0.01 -0.40 0.00 -1.94 0.00 0.00 57.00 54.76 3i27 n GLN 45 Cb 0.35 -1.50 -0.01 0.00 0.11 0.00 0.00 30.24 29.18 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 -2.06 6.55 0.00 1.08 0.15 -0.25 -0.96 113.70 118.20 3i27 s SER 46 Ca 0.39 2.63 0.23 0.00 0.70 0.00 0.00 55.95 59.90 3i27 s SER 46 Cb 0.18 -2.64 0.77 0.00 -1.71 0.00 0.00 66.02 62.62 3i27 s SER 46 CO 0.32 -0.68 1.57 -0.81 1.20 0.00 0.00 173.24 174.84 3i27 n PRO 47 N 0.43 1.81 0.26 5.44 -0.04 -1.26 -4.89 135.00 136.75 3i27 n PRO 47 Ca 0.02 -1.21 0.14 0.00 -0.04 0.00 0.00 63.50 62.41 3i27 n PRO 47 Cb 0.43 -1.43 0.62 0.00 -0.04 0.00 0.00 33.50 33.08 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 2.58 0.00 -0.02 0.54 2.86 -1.43 -2.26 114.93 117.19 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 0.56 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.22 3i27 h MET 48 CO 0.00 0.10 0.00 -1.13 1.06 0.00 0.00 176.91 176.94 3i27 n SER 49 N -3.28 1.62 -4.83 1.22 3.41 -1.06 -2.88 113.62 107.83 3i27 n SER 49 Ca -0.00 -1.54 -0.35 0.00 -0.26 0.00 0.00 58.87 56.72 3i27 n SER 49 Cb 0.34 -0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 64.23 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 -1.99 4.23 0.00 1.04 1.43 -0.85 -4.28 118.68 118.25 3i27 s LEU 50 Ca 0.37 1.33 0.15 0.00 -1.03 0.00 0.00 54.13 54.95 3i27 s LEU 50 Cb 0.21 -3.76 -0.06 0.00 0.03 0.00 0.00 46.19 42.61 3i27 s LEU 50 CO 0.33 -0.06 0.76 0.47 0.23 0.00 0.00 176.35 178.08 3i27 n ASP 51 N 0.28 1.25 -4.78 2.29 8.00 0.04 -4.30 116.55 119.33 3i27 n ASP 51 Ca -0.00 -1.13 -0.22 0.00 0.71 0.00 0.00 54.79 54.15 3i27 n ASP 51 Cb 0.52 0.67 -0.05 0.00 -0.02 0.00 0.00 41.12 42.24 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 -2.06 3.57 0.31 0.53 -4.36 -1.23 -3.58 121.20 114.38 3i27 s ILE 52 Ca 0.10 -1.55 -0.30 0.00 -0.26 0.00 0.00 60.65 58.65 3i27 s ILE 52 Cb 0.12 -3.13 -0.11 0.00 1.25 0.00 0.00 42.46 40.59 3i27 s ILE 52 CO 0.47 -0.24 1.57 -2.84 0.24 0.00 0.00 174.94 174.14 3i27 s PRO 53 N -3.88 4.13 0.38 0.37 0.02 -1.26 -4.89 135.00 129.87 3i27 s PRO 53 Ca 0.37 2.57 0.07 0.00 0.02 0.00 0.00 61.00 64.03 3i27 s PRO 53 Cb -0.05 -3.02 0.80 0.00 0.02 0.00 0.00 34.50 32.25 3i27 s PRO 53 CO 0.24 -0.61 1.98 0.37 -0.33 0.00 0.00 177.00 178.65 3i27 h GLN 54 N 4.53 0.65 0.00 5.54 4.15 -1.98 -1.52 115.11 126.48 3i27 h GLN 54 Ca -0.48 -0.04 0.00 0.00 0.77 0.00 0.00 58.65 58.90 3i27 h GLN 54 Cb 1.22 -0.15 0.00 0.00 0.21 0.00 0.00 27.48 28.77 3i27 h GLN 54 CO 0.77 0.43 0.00 0.00 -1.93 0.00 0.00 178.83 178.10 3i27 n GLN 55 N -4.48 0.13 0.00 1.69 10.64 -1.26 -1.77 117.38 122.34 3i27 n GLN 55 Ca 0.09 0.51 0.12 0.00 -1.83 0.00 0.00 57.00 55.90 3i27 n GLN 55 Cb 0.22 -1.83 0.21 0.00 -0.86 0.00 0.00 30.24 27.98 3i27 n GLN 55 CO 0.00 0.00 0.00 1.28 -1.83 0.00 0.00 177.06 176.51 3i27 n LEU 56 N -2.10 2.32 -0.30 2.61 4.77 -0.57 -4.49 117.00 119.24 3i27 n LEU 56 Ca 0.00 -0.78 0.11 0.00 -0.03 0.00 0.00 56.01 55.31 3i27 n LEU 56 Cb 0.11 -0.01 0.27 0.00 -2.33 0.00 0.00 43.42 41.47 3i27 n LEU 56 CO 0.13 0.39 1.06 0.00 -1.33 0.00 0.00 177.39 177.64 3i27 h PRO 58 N 0.46 0.00 0.00 0.00 0.11 -1.83 -1.78 132.00 128.97 3i27 h PRO 58 Ca 0.52 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.63 3i27 h PRO 58 Cb 0.91 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.02 3i27 h PRO 58 CO -0.47 0.00 -0.10 0.87 -0.21 0.00 0.00 178.00 178.09 3i27 h LYS 59 N 0.00 0.00 -5.80 1.05 1.79 -1.59 -3.46 116.57 108.56 3i27 h LYS 59 Ca 0.07 0.00 -0.64 0.00 -2.18 0.00 0.00 60.65 57.90 3i27 h LYS 59 Cb 0.44 0.00 -0.05 0.00 -1.58 0.00 0.00 32.23 31.03 3i27 h LYS 59 CO -0.00 0.00 -0.47 -0.06 -1.08 0.00 0.00 179.45 177.84 3i27 s PHE 60 N -3.13 3.56 -0.42 -1.35 0.40 -0.67 -0.72 117.98 115.65 3i27 s PHE 60 Ca 0.09 0.42 -0.10 0.00 -0.60 0.00 0.00 56.93 56.74 3i27 s PHE 60 Cb 0.11 -1.87 0.07 0.00 0.51 0.00 0.00 43.02 41.85 3i27 s PHE 60 CO 0.63 0.65 0.26 0.45 0.70 0.00 0.00 175.22 177.91 3i27 s SER 61 N -1.78 5.67 -0.00 1.36 0.15 0.56 -4.91 113.70 114.74 3i27 s SER 61 Ca 0.26 -1.46 -0.04 0.00 0.70 0.00 0.00 55.95 55.41 3i27 s SER 61 Cb -0.13 -2.00 -0.00 0.00 -1.71 0.00 0.00 66.02 62.18 3i27 s SER 61 CO 0.16 -0.53 0.07 -0.44 1.20 0.00 0.00 173.24 173.70 3i27 s SER 62 N 2.11 0.07 -0.10 5.45 0.01 -1.26 -1.46 113.70 118.52 3i27 s SER 62 Ca 0.03 -0.21 -0.04 0.00 1.31 0.00 0.00 55.95 57.04 3i27 s SER 62 Cb -0.23 0.16 0.05 0.00 0.21 0.00 0.00 66.02 66.21 3i27 s SER 62 CO 0.03 -0.25 0.21 -0.75 0.41 0.00 0.00 173.24 172.88 3i27 s LYS 63 N -1.03 0.13 0.10 12.44 2.47 -1.16 -4.83 119.74 127.87 3i27 s LYS 63 Ca -0.11 0.55 -0.36 0.00 -1.56 0.00 0.00 55.97 54.49 3i27 s LYS 63 Cb -0.07 -0.14 -0.17 0.00 -1.46 0.00 0.00 37.83 35.99 3i27 s LYS 63 CO 0.00 -0.22 1.21 0.43 0.16 0.00 0.00 175.35 176.93 3i27 n SER 64 N 4.68 1.15 0.00 1.43 7.64 -1.26 -1.60 113.62 125.66 3i27 n SER 64 Ca -0.18 1.13 0.00 0.00 1.01 0.00 0.00 58.87 60.84 3i27 n SER 64 Cb 0.51 -1.14 0.00 0.00 -1.01 0.00 0.00 64.21 62.57 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 2.17 0.00 -4.97 6.43 7.64 -1.26 -4.80 113.62 118.83 3i27 n SER 65 Ca 0.18 0.00 -0.19 0.00 1.01 0.00 0.00 58.87 59.87 3i27 n SER 65 Cb 0.19 -0.86 -0.01 0.00 -1.01 0.00 0.00 64.21 62.52 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 -2.72 5.69 0.15 6.43 0.15 -0.63 -4.45 113.70 118.32 3i27 s SER 66 Ca 0.00 -0.36 -0.06 0.00 0.70 0.00 0.00 55.95 56.23 3i27 s SER 66 Cb 0.00 -0.93 -0.02 0.00 -1.71 0.00 0.00 66.02 63.36 3i27 s SER 66 CO 0.00 -0.56 0.20 -0.94 1.20 0.00 0.00 173.24 173.14 3i27 s SER 67 N -4.21 0.14 0.27 5.45 1.04 -1.26 -4.55 113.70 110.58 3i27 s SER 67 Ca 0.48 -0.99 0.02 0.00 0.48 0.00 0.00 55.95 55.94 3i27 s SER 67 Cb -0.09 0.38 0.37 0.00 0.10 0.00 0.00 66.02 66.79 3i27 s SER 67 CO 0.31 -0.83 1.69 0.24 0.98 0.00 0.00 173.24 175.63 3i27 h MET 68 N 2.67 0.46 0.11 4.02 0.00 -1.94 -1.70 114.93 118.54 3i27 h MET 68 Ca -0.33 -0.19 -0.01 0.00 0.00 0.00 0.00 59.70 59.17 3i27 h MET 68 Cb 1.22 -0.02 0.00 0.00 0.00 0.00 0.00 31.60 32.80 3i27 h MET 68 CO 0.52 0.72 -0.05 0.35 0.00 0.00 0.00 176.91 178.46 3i27 h PHE 69 N 0.40 -0.13 -0.46 -0.22 3.57 -1.97 -2.54 116.94 115.59 3i27 h PHE 69 Ca 0.05 -0.00 0.07 0.00 3.53 0.00 0.00 57.97 61.62 3i27 h PHE 69 Cb 0.74 0.04 -0.06 0.00 2.79 0.00 0.00 35.95 39.47 3i27 h PHE 69 CO 0.02 0.29 0.10 1.25 -2.23 0.00 0.00 178.31 177.74 3i27 h LEU 70 N -0.60 0.03 -1.08 0.59 6.46 -1.94 -2.52 115.31 116.26 3i27 h LEU 70 Ca -0.01 0.08 -0.08 0.00 -0.12 0.00 0.00 57.88 57.74 3i27 h LEU 70 Cb 0.48 0.10 -0.01 0.00 -0.73 0.00 0.00 40.66 40.49 3i27 h LEU 70 CO 0.02 0.05 -0.40 0.28 -0.62 0.00 0.00 178.44 177.77 3i27 h SER 71 N 0.24 0.00 -0.45 1.25 0.02 -1.35 -0.14 113.55 113.13 3i27 h SER 71 Ca 0.22 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.18 3i27 h SER 71 Cb 0.28 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.80 3i27 h SER 71 CO -0.28 0.40 0.30 0.25 -1.14 0.00 0.00 176.83 176.35 3i27 h LEU 72 N 0.00 0.51 0.04 5.07 5.85 -1.01 -3.35 115.31 122.42 3i27 h LEU 72 Ca -0.00 -0.01 -0.30 0.00 0.84 0.00 0.00 57.88 58.40 3i27 h LEU 72 Cb 0.82 -0.13 -0.04 0.00 0.37 0.00 0.00 40.66 41.69 3i27 h LEU 72 CO 0.05 0.37 -1.72 0.45 -0.34 0.00 0.00 178.44 177.26 3i27 h HIS 73 N 0.60 0.14 -4.15 1.25 3.86 -1.22 -3.41 115.15 112.22 3i27 h HIS 73 Ca 0.16 -0.10 -0.63 0.00 -1.16 0.00 0.00 60.37 58.64 3i27 h HIS 73 Cb -0.07 -0.01 -0.25 0.00 1.06 0.00 0.00 27.41 28.15 3i27 h HIS 73 CO -0.04 1.20 -0.86 -1.58 0.86 0.00 0.00 177.93 177.51 3i27 s TRP 74 N -2.60 2.03 0.00 2.45 0.51 -0.11 -0.68 118.94 120.54 3i27 s TRP 74 Ca -0.08 -0.39 0.00 0.00 -2.12 0.00 0.00 56.10 53.50 3i27 s TRP 74 Cb 0.08 -1.19 0.00 0.00 -0.81 0.00 0.00 33.47 31.55 3i27 s TRP 74 CO 0.82 0.15 0.00 0.09 -0.51 0.00 0.00 176.95 177.49 3i27 n ASN 75 N 1.61 0.00 -4.72 2.95 3.02 -1.26 -4.41 115.26 112.44 3i27 n ASN 75 Ca -0.17 -0.51 -0.41 0.00 -0.03 0.00 0.00 54.58 53.45 3i27 n ASN 75 Cb 0.53 0.00 -0.04 0.00 -0.61 0.00 0.00 39.78 39.66 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 -1.00 7.24 0.27 6.41 0.01 -1.26 -4.48 114.94 122.13 3i27 s ASN 76 Ca 0.00 1.97 -0.05 0.00 -0.71 0.00 0.00 52.86 54.07 3i27 s ASN 76 Cb 0.00 -2.59 -0.01 0.00 0.41 0.00 0.00 41.25 39.06 3i27 s ASN 76 CO 0.00 -0.29 0.36 -1.00 -1.51 0.00 0.00 177.10 174.66 3i27 s HIS 77 N 0.38 0.90 0.15 2.20 3.76 -0.69 -5.01 115.29 116.98 3i27 s HIS 77 Ca 0.52 -1.15 -0.32 0.00 -0.15 0.00 0.00 55.06 53.96 3i27 s HIS 77 Cb -0.28 -0.17 -0.12 0.00 1.11 0.00 0.00 32.58 33.12 3i27 s HIS 77 CO 0.32 -0.92 1.74 0.45 -0.85 0.00 0.00 174.74 175.47 3i27 n SER 78 N -0.72 3.76 0.00 1.40 2.88 -1.26 -1.24 113.62 118.44 3i27 n SER 78 Ca 0.01 1.03 0.00 0.00 -1.33 0.00 0.00 58.87 58.58 3i27 n SER 78 Cb 0.63 -1.51 0.00 0.00 -0.75 0.00 0.00 64.21 62.58 3i27 n SER 78 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 3i27 n SER 79 N 4.61 0.00 -3.74 -3.46 2.88 -1.26 -4.98 113.62 107.67 3i27 n SER 79 Ca 0.17 0.00 -0.29 0.00 -1.33 0.00 0.00 58.87 57.42 3i27 n SER 79 Cb 0.34 0.00 -0.15 0.00 -0.75 0.00 0.00 64.21 63.64 3i27 n SER 79 CO 0.00 0.00 0.00 -0.36 -1.23 0.00 0.00 175.04 173.45 3i27 s PHE 80 N -3.65 1.50 -0.51 0.66 0.40 -0.37 -5.09 117.98 110.91 3i27 s PHE 80 Ca 0.00 -1.43 -0.18 0.00 -0.60 0.00 0.00 56.93 54.71 3i27 s PHE 80 Cb 0.00 -1.46 0.07 0.00 0.51 0.00 0.00 43.02 42.14 3i27 s PHE 80 CO 0.00 -0.79 0.60 0.08 0.70 0.00 0.00 175.22 175.81 3i27 s VAL 81 N 1.69 4.93 -0.03 -0.44 1.01 -1.26 -1.71 120.40 124.60 3i27 s VAL 81 Ca 0.05 -0.67 -0.12 0.00 0.00 0.00 0.00 61.98 61.25 3i27 s VAL 81 Cb -0.17 -4.30 -0.05 0.00 0.00 0.00 0.00 36.38 31.86 3i27 s VAL 81 CO -0.19 -0.81 0.32 -0.55 0.00 0.00 0.00 175.10 173.87 3i27 s SER 82 N 2.81 6.66 -0.01 3.32 0.15 -1.26 -4.08 113.70 121.28 3i27 s SER 82 Ca 0.13 0.78 0.02 0.00 0.70 0.00 0.00 55.95 57.58 3i27 s SER 82 Cb -0.21 -2.18 -0.00 0.00 -1.71 0.00 0.00 66.02 61.92 3i27 s SER 82 CO 0.10 0.33 -0.06 -0.47 1.20 0.00 0.00 173.24 174.34 3i27 s TYR 83 N -1.11 0.59 -1.24 3.44 6.04 -1.26 -4.85 117.35 118.96 3i27 s TYR 83 Ca 0.22 -0.11 -0.13 0.00 0.04 0.00 0.00 57.07 57.09 3i27 s TYR 83 Cb -0.15 -0.40 0.16 0.00 -1.04 0.00 0.00 41.96 40.54 3i27 s TYR 83 CO 0.11 -0.03 1.61 -0.25 -1.54 0.00 0.00 175.55 175.45 3i27 n ASP 84 N 3.04 5.13 -4.52 4.32 10.43 -1.26 -4.85 116.55 128.84 3i27 n ASP 84 Ca -0.14 -3.01 -0.46 0.00 2.57 0.00 0.00 54.79 53.74 3i27 n ASP 84 Cb 0.57 -1.56 -0.02 0.00 1.84 0.00 0.00 41.12 41.95 3i27 n ASP 84 CO 0.00 0.00 0.00 -1.22 -1.07 0.00 0.00 177.20 174.91 3i27 n TYR 85 N 5.29 0.64 -3.40 1.24 4.01 -1.26 -4.73 117.16 118.94 3i27 n TYR 85 Ca 0.39 0.80 0.02 0.00 -0.16 0.00 0.00 57.90 58.95 3i27 n TYR 85 Cb 0.41 -2.15 -0.03 0.00 -0.31 0.00 0.00 39.34 37.26 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 -0.98 -1.06 0.16 -0.72 5.36 -1.26 -0.65 117.98 118.83 3i27 s PHE 86 Ca 0.62 1.57 -0.20 0.00 -0.96 0.00 0.00 56.93 57.96 3i27 s PHE 86 Cb -0.80 0.54 0.05 0.00 -0.34 0.00 0.00 43.02 42.47 3i27 s PHE 86 CO 0.58 -0.55 0.54 1.21 -1.46 0.00 0.00 175.22 175.55 3i27 s ASN 87 N 2.74 -0.42 -0.07 6.13 3.84 -0.51 -4.70 114.94 121.96 3i27 s ASN 87 Ca 0.01 -0.18 0.02 0.00 0.21 0.00 0.00 52.86 52.92 3i27 s ASN 87 Cb -0.10 0.57 0.01 0.00 -0.55 0.00 0.00 41.25 41.18 3i27 s ASN 87 CO -0.18 -0.97 -0.13 0.00 -2.79 0.00 0.00 177.10 173.04 3i27 s GLY 89 N 0.70 0.03 0.22 0.00 0.00 0.35 -4.43 107.32 104.19 3i27 s GLY 89 Ca -0.14 2.84 -0.09 0.00 0.00 0.00 0.00 44.72 47.33 3i27 s GLY 89 CO 0.03 1.57 1.86 -2.08 0.00 0.00 0.00 173.10 174.49 3i27 h VAL 90 N 2.94 1.23 -3.16 1.40 2.07 -1.61 -3.42 116.25 115.70 3i27 h VAL 90 Ca -0.22 -0.50 -0.66 0.00 0.82 0.00 0.00 66.70 66.14 3i27 h VAL 90 Cb 1.18 0.08 -0.11 0.00 -1.52 0.00 0.00 31.29 30.93 3i27 h VAL 90 CO 0.19 0.24 -0.59 -1.61 0.02 0.00 0.00 177.57 175.82 3i27 s GLU 91 N -5.98 3.02 -0.03 1.57 2.02 -1.15 -4.80 118.70 113.35 3i27 s GLU 91 Ca -0.13 -0.48 -0.02 0.00 0.02 0.00 0.00 54.97 54.36 3i27 s GLU 91 Cb 0.16 -2.83 0.01 0.00 0.10 0.00 0.00 34.13 31.57 3i27 s GLU 91 CO 0.80 0.66 0.06 0.15 0.02 0.00 0.00 175.26 176.95 3i27 s LYS 92 N -1.56 0.05 -0.17 1.61 1.02 -1.26 -1.73 119.74 117.70 3i27 s LYS 92 Ca 0.21 0.13 0.01 0.00 0.02 0.00 0.00 55.97 56.33 3i27 s LYS 92 Cb -0.12 -0.04 0.02 0.00 -0.52 0.00 0.00 37.83 37.18 3i27 s LYS 92 CO 0.11 -0.05 -0.17 0.08 -0.92 0.00 0.00 175.35 174.40 3i27 s VAL 93 N 0.34 1.88 -0.19 3.17 1.01 -0.30 -1.00 120.40 125.30 3i27 s VAL 93 Ca -0.03 -0.86 -0.09 0.00 0.00 0.00 0.00 61.98 61.00 3i27 s VAL 93 Cb -0.04 -1.74 -0.05 0.00 0.00 0.00 0.00 36.38 34.56 3i27 s VAL 93 CO -0.01 0.47 0.10 -0.36 0.00 0.00 0.00 175.10 175.30 3i27 s PHE 94 N 1.36 3.32 -0.40 5.22 0.08 0.83 -1.29 117.98 127.09 3i27 s PHE 94 Ca 0.04 0.18 0.07 0.00 0.12 0.00 0.00 56.93 57.34 3i27 s PHE 94 Cb -0.13 -2.13 0.22 0.00 -0.57 0.00 0.00 43.02 40.41 3i27 s PHE 94 CO -0.12 0.20 0.48 0.98 -0.10 0.00 0.00 175.22 176.66 3i27 n TYR 95 N 3.60 -0.72 -3.88 0.36 9.36 0.68 -0.73 117.16 125.83 3i27 n TYR 95 Ca -0.16 -3.38 -0.10 0.00 3.32 0.00 0.00 57.90 57.58 3i27 n TYR 95 Cb 0.52 -0.05 0.00 0.00 -0.63 0.00 0.00 39.34 39.18 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 -0.68 2.09 0.00 2.98 4.04 -1.26 -3.64 118.70 122.23 3i27 s GLU 96 Ca 0.34 -1.45 0.00 0.00 0.04 0.00 0.00 54.97 53.90 3i27 s GLU 96 Cb 0.13 0.58 0.00 0.00 0.02 0.00 0.00 34.13 34.86 3i27 s GLU 96 CO -0.14 -0.95 0.00 0.41 -1.84 0.00 0.00 175.26 172.73 3i27 n GLY 97 N -0.52 2.03 0.30 -3.83 0.00 -1.26 -4.70 105.19 97.21 3i27 n GLY 97 Ca -0.06 -0.21 0.04 0.00 0.00 0.00 0.00 46.02 45.79 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 1.10 0.00 1.61 3.04 -1.91 -2.03 116.25 118.06 3i27 h VAL 98 Ca 0.00 -0.20 0.00 0.00 -1.01 0.00 0.00 66.70 65.49 3i27 h VAL 98 Cb 0.00 0.55 0.00 0.00 -2.01 0.00 0.00 31.29 29.83 3i27 h VAL 98 CO 0.00 0.10 0.00 0.59 -1.01 0.00 0.00 177.57 177.25 3i27 n ASN 99 N -4.47 0.00 -3.79 3.17 3.02 -1.26 -2.99 115.26 108.93 3i27 n ASN 99 Ca 0.03 -0.22 -0.30 0.00 -0.03 0.00 0.00 54.58 54.06 3i27 n ASN 99 Cb 0.07 -0.07 -0.14 0.00 -0.61 0.00 0.00 39.78 39.03 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 -2.14 2.35 0.29 3.10 5.36 -0.76 -4.87 117.98 121.30 3i27 s PHE 100 Ca 0.15 -2.50 0.03 0.00 -0.96 0.00 0.00 56.93 53.64 3i27 s PHE 100 Cb 0.07 -2.14 -0.04 0.00 -0.34 0.00 0.00 43.02 40.57 3i27 s PHE 100 CO 0.13 -0.81 0.17 -1.54 -1.46 0.00 0.00 175.22 171.71 3i27 s SER 101 N 0.52 1.38 0.59 6.13 1.04 -1.16 -4.99 113.70 117.22 3i27 s SER 101 Ca 0.15 -1.56 0.30 0.00 0.48 0.00 0.00 55.95 55.33 3i27 s SER 101 Cb -0.23 0.40 1.78 0.00 0.10 0.00 0.00 66.02 68.07 3i27 s SER 101 CO -0.05 -0.90 2.20 -0.65 0.98 0.00 0.00 173.24 174.82 3i27 h PRO 102 N 2.26 0.00 -1.04 4.02 0.11 -1.82 -1.41 132.00 134.12 3i27 h PRO 102 Ca -0.33 0.00 0.27 0.00 0.11 0.00 0.00 66.00 66.05 3i27 h PRO 102 Cb 1.25 0.00 -0.11 0.00 0.11 0.00 0.00 31.00 32.25 3i27 h PRO 102 CO 0.51 0.00 0.64 -0.09 -0.21 0.00 0.00 178.00 178.85 3i27 h ARG 103 N 0.00 0.44 0.00 1.05 2.43 -1.81 0.11 114.38 116.60 3i27 h ARG 103 Ca 0.03 -0.03 -0.02 0.00 -0.81 0.00 0.00 59.98 59.15 3i27 h ARG 103 Cb 0.20 -0.10 -0.00 0.00 -0.42 0.00 0.00 29.97 29.64 3i27 h ARG 103 CO -0.00 0.29 -0.11 -0.22 -1.51 0.00 0.00 179.97 178.42 3i27 h LYS 104 N 0.45 0.00 -3.91 0.20 3.64 -1.57 -3.47 116.57 111.91 3i27 h LYS 104 Ca 0.64 0.00 -0.40 0.00 -1.27 0.00 0.00 60.65 59.62 3i27 h LYS 104 Cb 1.45 0.00 0.02 0.00 -0.41 0.00 0.00 32.23 33.29 3i27 h LYS 104 CO -0.40 0.11 -0.56 1.04 -2.27 0.00 0.00 179.45 177.38 3i27 n GLN 105 N -4.24 -3.37 -2.88 1.90 6.02 0.39 -4.95 117.38 110.24 3i27 n GLN 105 Ca -0.03 0.91 -0.40 0.00 -0.01 0.00 0.00 57.00 57.47 3i27 n GLN 105 Cb 0.19 -5.67 -0.05 0.00 1.02 0.00 0.00 30.24 25.73 3i27 n GLN 105 CO 0.00 0.00 0.00 -0.47 -1.01 0.00 0.00 177.06 175.58 3i27 s TYR 106 N -3.07 3.82 0.31 1.08 5.04 -1.26 -4.91 117.35 118.34 3i27 s TYR 106 Ca 0.17 1.64 -0.18 0.00 -2.44 0.00 0.00 57.07 56.27 3i27 s TYR 106 Cb -0.08 -2.89 0.03 0.00 0.35 0.00 0.00 41.96 39.36 3i27 s TYR 106 CO 0.21 0.32 0.69 -1.54 -1.34 0.00 0.00 175.55 173.89 3i27 s SER 107 N -0.35 -0.11 0.12 4.32 1.04 -1.26 -4.03 113.70 113.43 3i27 s SER 107 Ca 0.41 -0.84 0.00 0.00 0.48 0.00 0.00 55.95 56.00 3i27 s SER 107 Cb -0.22 0.74 0.00 0.00 0.10 0.00 0.00 66.02 66.64 3i27 s SER 107 CO 0.26 -1.41 0.00 0.00 0.98 0.00 0.00 173.24 173.07 3i27 n TRP 109 N -3.25 0.00 1.32 0.00 7.02 -1.26 -0.89 117.44 120.38 3i27 n TRP 109 Ca 0.00 0.00 0.04 0.00 -1.02 0.00 0.00 57.50 56.52 3i27 n TRP 109 Cb 0.10 0.00 0.15 0.00 -2.42 0.00 0.00 31.31 29.13 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 1.17 0.22 -0.99 8.00 0.93 -4.20 116.55 121.69 3i27 n ASP 110 Ca 0.00 -1.94 0.15 0.00 0.71 0.00 0.00 54.79 53.71 3i27 n ASP 110 Cb 0.00 -0.14 0.64 0.00 -0.02 0.00 0.00 41.12 41.60 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 1.31 0.00 -0.45 -1.24 9.09 -1.91 -3.47 114.58 117.92 3i27 h GLU 111 Ca 0.00 0.00 0.05 0.00 0.05 0.00 0.00 59.36 59.46 3i27 h GLU 111 Cb 0.30 0.00 -0.02 0.00 -1.65 0.00 0.00 28.75 27.38 3i27 h GLU 111 CO 0.00 0.00 -0.11 0.41 0.05 0.00 0.00 179.01 179.36 3i27 n GLY 112 N -0.08 -1.86 0.25 1.06 0.00 -1.26 -2.26 105.19 101.04 3i27 n GLY 112 Ca 0.01 -1.46 -0.03 0.00 0.00 0.00 0.00 46.02 44.54 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 -0.19 1.02 -0.80 1.61 2.07 -1.91 -2.26 116.25 115.79 3i27 h VAL 113 Ca -0.01 -0.25 0.06 0.00 0.82 0.00 0.00 66.70 67.32 3i27 h VAL 113 Cb 0.18 0.24 -0.05 0.00 -1.52 0.00 0.00 31.29 30.14 3i27 h VAL 113 CO 0.01 0.13 0.53 0.44 0.02 0.00 0.00 177.57 178.69 3i27 h ASP 114 N 0.72 0.79 -0.44 0.57 3.32 -1.89 -1.83 116.42 117.67 3i27 h ASP 114 Ca 0.27 0.00 0.05 0.00 0.02 0.00 0.00 57.03 57.37 3i27 h ASP 114 Cb 0.10 -0.17 -0.04 0.00 0.22 0.00 0.00 39.33 39.44 3i27 h ASP 114 CO -0.14 0.52 0.19 1.23 -1.72 0.00 0.00 179.24 179.31 3i27 h GLY 115 N 0.90 0.59 2.00 2.75 0.00 -0.96 -0.73 103.07 107.62 3i27 h GLY 115 Ca 0.34 -0.12 -0.10 0.00 0.00 0.00 0.00 47.33 47.45 3i27 h GLY 115 CO -0.11 0.06 -0.49 1.49 0.00 0.00 0.00 176.54 177.49 3i27 h TRP 116 N 0.38 0.00 -0.55 5.60 4.06 -1.28 -1.65 115.95 122.52 3i27 h TRP 116 Ca 0.20 0.00 -0.11 0.00 2.06 0.00 0.00 58.89 61.04 3i27 h TRP 116 Cb 0.15 0.00 -0.02 0.00 -1.00 0.00 0.00 29.16 28.29 3i27 h TRP 116 CO -0.13 0.49 -0.10 0.82 -3.56 0.00 0.00 178.44 175.97 3i27 h ILE 117 N 0.00 1.27 -0.17 1.49 1.08 -0.82 0.19 117.51 120.54 3i27 h ILE 117 Ca -0.00 -1.25 0.03 0.00 -0.39 0.00 0.00 64.86 63.24 3i27 h ILE 117 Cb 1.03 0.94 -0.03 0.00 -3.07 0.00 0.00 36.82 35.70 3i27 h ILE 117 CO 0.06 0.44 0.01 -0.08 -0.69 0.00 0.00 178.15 177.90 3i27 h GLU 118 N 0.91 0.07 -0.81 2.37 4.57 -0.87 -1.25 114.58 119.57 3i27 h GLU 118 Ca 0.14 -0.00 0.07 0.00 -1.18 0.00 0.00 59.36 58.39 3i27 h GLU 118 Cb 0.66 -0.02 -0.06 0.00 -0.16 0.00 0.00 28.75 29.17 3i27 h GLU 118 CO 0.05 0.05 0.49 -0.07 -1.18 0.00 0.00 179.01 178.34 3i27 h LEU 119 N 0.07 0.75 -0.42 1.64 3.38 -0.93 -0.87 115.31 118.93 3i27 h LEU 119 Ca 0.08 0.02 0.04 0.00 0.09 0.00 0.00 57.88 58.11 3i27 h LEU 119 Cb 0.09 -0.13 -0.04 0.00 0.09 0.00 0.00 40.66 40.67 3i27 h LEU 119 CO -0.12 0.47 0.20 0.50 0.09 0.00 0.00 178.44 179.58 3i27 h LYS 120 N 0.88 0.40 -0.28 1.13 3.64 -0.72 -0.29 116.57 121.32 3i27 h LYS 120 Ca 0.36 -0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.71 3i27 h LYS 120 Cb 0.21 -0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 31.92 3i27 h LYS 120 CO -0.19 0.26 0.15 1.15 -2.27 0.00 0.00 179.45 178.55 3i27 h THR 121 N 0.41 1.14 -0.45 1.00 2.02 -0.43 -1.55 112.91 115.06 3i27 h THR 121 Ca 0.18 -0.38 0.06 0.00 0.77 0.00 0.00 66.41 67.05 3i27 h THR 121 Cb 0.10 0.87 -0.06 0.00 -1.74 0.00 0.00 68.15 67.33 3i27 h THR 121 CO -0.14 0.14 0.13 0.03 0.37 0.00 0.00 175.52 176.05 3i27 h ARG 122 N 0.33 0.27 0.27 6.66 3.08 -0.75 -1.14 114.38 123.09 3i27 h ARG 122 Ca 0.10 -0.02 -0.01 0.00 0.07 0.00 0.00 59.98 60.12 3i27 h ARG 122 Cb 0.09 -0.06 0.00 0.00 0.08 0.00 0.00 29.97 30.08 3i27 h ARG 122 CO -0.01 0.18 -0.13 0.35 -1.07 0.00 0.00 179.97 179.29 3i27 h PHE 123 N 0.28 -0.33 -0.82 3.04 3.57 -0.80 -2.42 116.94 119.45 3i27 h PHE 123 Ca 0.21 -0.01 0.04 0.00 3.53 0.00 0.00 57.97 61.74 3i27 h PHE 123 Cb 0.24 0.11 -0.05 0.00 2.79 0.00 0.00 35.95 39.04 3i27 h PHE 123 CO -0.18 -0.11 0.54 1.88 -2.23 0.00 0.00 178.31 178.21 3i27 h TYR 124 N -0.49 0.98 -0.25 0.41 0.05 -1.18 -0.12 116.97 116.38 3i27 h TYR 124 Ca -0.04 0.02 0.04 0.00 0.05 0.00 0.00 58.73 58.81 3i27 h TYR 124 Cb 0.37 -0.33 -0.04 0.00 1.01 0.00 0.00 36.73 37.74 3i27 h TYR 124 CO -0.02 0.56 0.01 1.15 -1.05 0.00 0.00 178.16 178.81 3i27 h THR 125 N 1.01 0.84 -0.39 -2.88 2.02 -1.08 -1.29 112.91 111.14 3i27 h THR 125 Ca 0.33 -0.03 -0.06 0.00 0.77 0.00 0.00 66.41 67.42 3i27 h THR 125 Cb 0.06 0.74 -0.01 0.00 -1.74 0.00 0.00 68.15 67.19 3i27 h THR 125 CO -0.10 0.02 0.01 0.50 0.37 0.00 0.00 175.52 176.32 3i27 h LYS 126 N 0.09 0.69 0.06 6.66 1.63 -0.92 -1.85 116.57 122.92 3i27 h LYS 126 Ca 0.12 -0.21 0.02 0.00 -0.85 0.00 0.00 60.65 59.73 3i27 h LYS 126 Cb 0.14 -0.07 -0.04 0.00 -0.60 0.00 0.00 32.23 31.67 3i27 h LYS 126 CO -0.19 0.77 -0.27 1.25 -3.45 0.00 0.00 179.45 177.56 3i27 h LEU 127 N 0.52 -0.79 -0.53 5.20 5.85 -0.78 -0.12 115.31 124.66 3i27 h LEU 127 Ca 0.11 0.10 0.01 0.00 0.84 0.00 0.00 57.88 58.94 3i27 h LEU 127 Cb 0.45 0.31 -0.03 0.00 0.37 0.00 0.00 40.66 41.76 3i27 h LEU 127 CO 0.02 -0.35 0.34 1.88 -0.34 0.00 0.00 178.44 179.99 3i27 h TYR 128 N -0.45 0.64 -0.10 1.25 0.05 -1.22 0.05 116.97 117.20 3i27 h TYR 128 Ca 0.05 0.02 0.04 0.00 0.05 0.00 0.00 58.73 58.88 3i27 h TYR 128 Cb 0.51 -0.21 -0.05 0.00 1.01 0.00 0.00 36.73 37.98 3i27 h TYR 128 CO -0.27 0.39 -0.18 1.96 -1.05 0.00 0.00 178.16 179.01 3i27 h GLN 129 N 0.69 -0.24 -0.19 4.88 4.20 -0.90 -2.96 115.11 120.59 3i27 h GLN 129 Ca 0.20 0.02 -0.13 0.00 0.06 0.00 0.00 58.65 58.80 3i27 h GLN 129 Cb -0.05 0.05 -0.01 0.00 0.30 0.00 0.00 27.48 27.77 3i27 h GLN 129 CO -0.06 -0.16 -0.42 0.52 -0.67 0.00 0.00 178.83 178.04 3i27 h MET 130 N -0.24 0.46 -0.72 1.46 2.86 -0.58 -3.04 114.93 115.12 3i27 h MET 130 Ca 0.09 -0.23 0.11 0.00 -2.06 0.00 0.00 59.70 57.60 3i27 h MET 130 Cb 0.37 0.00 -0.05 0.00 0.06 0.00 0.00 31.60 31.99 3i27 h MET 130 CO -0.24 0.80 0.47 0.00 1.06 0.00 0.00 176.91 179.00 3i27 h ALA 131 N 1.17 1.91 0.00 6.32 0.00 -0.83 -2.73 119.26 125.10 3i27 h ALA 131 Ca 0.03 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.93 3i27 h ALA 131 Cb 0.90 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.57 3i27 h ALA 131 CO 0.08 -0.07 0.00 1.79 0.00 0.00 0.00 179.25 181.05 3i27 h THR 132 N 0.56 0.00 -0.10 0.00 1.35 -1.42 -1.76 112.91 111.54 3i27 h THR 132 Ca 0.33 -0.39 -0.01 0.00 -0.55 0.00 0.00 66.41 65.80 3i27 h THR 132 Cb 0.55 1.38 -0.01 0.00 -1.73 0.00 0.00 68.15 68.34 3i27 h THR 132 CO -0.11 0.00 -0.04 0.35 -0.25 0.00 0.00 175.52 175.47 3i27 n THR 133 N -3.06 2.08 -4.35 6.82 -2.24 -1.03 -1.19 114.28 111.30 3i27 n THR 133 Ca -0.00 -2.25 -0.27 0.00 -2.27 0.00 0.00 64.05 59.26 3i27 n THR 133 Cb 0.25 -0.25 -0.13 0.00 -2.10 0.00 0.00 70.33 68.10 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 -2.59 2.94 -0.21 3.42 0.01 -0.66 -1.69 113.70 114.92 3i27 s SER 134 Ca 0.36 -0.71 -0.20 0.00 1.31 0.00 0.00 55.95 56.71 3i27 s SER 134 Cb 0.31 -0.18 -0.17 0.00 0.21 0.00 0.00 66.02 66.19 3i27 s SER 134 CO 0.04 0.12 0.12 -1.14 0.41 0.00 0.00 173.24 172.80 3i27 n ARG 135 N 1.02 0.56 -4.29 12.44 0.63 -1.26 -4.75 116.66 121.01 3i27 n ARG 135 Ca -0.19 0.54 -0.33 0.00 -0.92 0.00 0.00 57.85 56.94 3i27 n ARG 135 Cb 0.53 -1.71 -0.09 0.00 0.45 0.00 0.00 32.46 31.64 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 -1.03 0.38 -0.06 0.00 1.01 -0.28 -2.86 121.20 118.35 3i27 s ILE 137 Ca 0.18 0.11 -0.01 0.00 0.00 0.00 0.00 60.65 60.93 3i27 s ILE 137 Cb -0.11 -0.54 0.03 0.00 0.01 0.00 0.00 42.46 41.84 3i27 s ILE 137 CO 0.08 0.25 -0.01 -0.75 0.00 0.00 0.00 174.94 174.51 3i27 s LYS 138 N 1.97 0.67 -0.28 2.79 2.20 0.17 -1.42 119.74 125.84 3i27 s LYS 138 Ca 0.05 0.05 -0.28 0.00 -0.36 0.00 0.00 55.97 55.42 3i27 s LYS 138 Cb -0.12 -0.93 0.01 0.00 -1.51 0.00 0.00 37.83 35.28 3i27 s LYS 138 CO -0.05 -0.24 1.03 -1.17 -0.36 0.00 0.00 175.35 174.56 3i27 s LEU 139 N 1.67 4.02 0.15 5.43 2.96 0.18 0.31 118.68 133.40 3i27 s LEU 139 Ca 0.01 1.17 0.11 0.00 -0.22 0.00 0.00 54.13 55.20 3i27 s LEU 139 Cb -0.13 -3.50 -0.04 0.00 0.50 0.00 0.00 46.19 43.02 3i27 s LEU 139 CO -0.04 -0.76 -0.25 0.27 -1.32 0.00 0.00 176.35 174.26 3i27 s ILE 140 N 3.38 2.37 -0.10 6.68 -4.36 0.10 -4.69 121.20 124.59 3i27 s ILE 140 Ca 0.44 -1.80 -0.26 0.00 -0.26 0.00 0.00 60.65 58.76 3i27 s ILE 140 Cb -0.14 -2.08 -0.02 0.00 1.25 0.00 0.00 42.46 41.47 3i27 s ILE 140 CO 0.11 0.03 0.85 -1.10 0.24 0.00 0.00 174.94 175.07 3i27 s GLN 141 N -2.25 4.40 0.49 0.37 -1.52 -1.26 -2.08 119.66 117.81 3i27 s GLN 141 Ca 0.16 1.11 -0.15 0.00 -1.95 0.00 0.00 55.36 54.54 3i27 s GLN 141 Cb -0.09 -3.52 -0.07 0.00 -0.22 0.00 0.00 33.01 29.11 3i27 s GLN 141 CO 0.08 -0.18 0.94 -0.51 -0.25 0.00 0.00 175.29 175.37 3i27 s LEU 142 N 1.58 3.65 0.34 2.90 1.43 0.05 -4.97 118.68 123.67 3i27 s LEU 142 Ca 0.42 1.46 -0.28 0.00 -1.03 0.00 0.00 54.13 54.69 3i27 s LEU 142 Cb -0.18 -4.39 -0.10 0.00 0.03 0.00 0.00 46.19 41.55 3i27 s LEU 142 CO 0.18 -0.56 1.31 -1.10 0.23 0.00 0.00 176.35 176.41 3i27 s GLN 143 N -4.07 4.29 0.57 1.70 -0.21 -1.26 -4.91 119.66 115.77 3i27 s GLN 143 Ca 0.57 2.22 -0.20 0.00 0.02 0.00 0.00 55.36 57.97 3i27 s GLN 143 Cb -0.10 -3.02 -0.04 0.00 1.00 0.00 0.00 33.01 30.85 3i27 s GLN 143 CO 0.32 -0.24 1.25 0.00 -2.12 0.00 0.00 175.29 174.50 3i27 s ALA 144 N -1.16 2.64 0.27 6.09 0.00 -1.26 -4.69 121.76 123.65 3i27 s ALA 144 Ca 0.50 1.10 -0.30 0.00 0.00 0.00 0.00 51.96 53.26 3i27 s ALA 144 Cb -0.40 -3.48 -0.13 0.00 0.00 0.00 0.00 23.12 19.11 3i27 s ALA 144 CO 0.53 -1.20 1.31 -2.30 0.00 0.00 0.00 175.76 174.10 3i27 n PRO 145 N -1.37 1.93 0.25 0.00 -0.02 -1.26 -4.87 135.00 129.67 3i27 n PRO 145 Ca 0.12 0.68 0.13 0.00 -2.02 0.00 0.00 63.50 62.41 3i27 n PRO 145 Cb 0.48 -2.27 0.66 0.00 -0.02 0.00 0.00 33.50 32.35 3i27 n PRO 145 CO 0.00 0.00 0.00 0.77 1.98 0.00 0.00 175.50 178.25 3i27 h SER 146 N 3.40 0.00 -3.16 2.55 0.02 -1.93 -3.38 113.55 111.05 3i27 h SER 146 Ca -0.45 0.00 -0.58 0.00 -0.84 0.00 0.00 61.79 59.93 3i27 h SER 146 Cb 1.29 0.00 -0.36 0.00 0.14 0.00 0.00 62.40 63.47 3i27 h SER 146 CO 0.70 0.14 -0.82 -0.55 -1.14 0.00 0.00 176.83 175.15 3i27 s SER 147 N -6.09 2.50 -0.08 3.07 0.15 -1.26 -5.10 113.70 106.89 3i27 s SER 147 Ca -0.02 -0.43 0.00 0.00 0.70 0.00 0.00 55.95 56.21 3i27 s SER 147 Cb 0.12 -1.07 0.02 0.00 -1.71 0.00 0.00 66.02 63.38 3i27 s SER 147 CO 0.59 -0.06 -0.05 -0.76 1.20 0.00 0.00 173.24 174.16 3i27 s LEU 148 N 1.46 1.10 1.23 3.45 1.43 -1.26 -4.73 118.68 121.36 3i27 s LEU 148 Ca 0.03 -0.19 -0.20 0.00 -1.03 0.00 0.00 54.13 52.74 3i27 s LEU 148 Cb -0.13 -0.62 0.30 0.00 0.03 0.00 0.00 46.19 45.77 3i27 s LEU 148 CO -0.09 -0.11 1.10 -2.84 0.23 0.00 0.00 176.35 174.65 3i27 s PRO 149 N 1.46 -1.45 0.21 1.29 0.02 -1.26 -4.94 135.00 130.32 3i27 s PRO 149 Ca -0.02 -0.10 -0.32 0.00 0.02 0.00 0.00 61.00 60.58 3i27 s PRO 149 Cb -0.13 -1.57 -0.13 0.00 0.02 0.00 0.00 34.50 32.68 3i27 s PRO 149 CO -0.04 -3.86 1.52 2.41 -0.33 0.00 0.00 177.00 176.71 3i27 n THR 150 N -4.86 0.46 -4.07 0.99 -1.04 -1.26 -5.00 114.28 99.51 3i27 n THR 150 Ca 0.14 -0.12 -0.15 0.00 -2.04 0.00 0.00 64.05 61.88 3i27 n THR 150 Cb 0.60 -1.59 -0.15 0.00 -1.82 0.00 0.00 70.33 67.37 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 0.47 1.86 -0.17 -4.42 1.43 -1.26 -3.95 118.68 112.65 3i27 s LEU 151 Ca 0.73 -0.07 -0.05 0.00 -1.03 0.00 0.00 54.13 53.71 3i27 s LEU 151 Cb -0.64 -0.22 -0.03 0.00 0.03 0.00 0.00 46.19 45.33 3i27 s LEU 151 CO 0.43 0.02 -0.01 -1.58 0.23 0.00 0.00 176.35 175.45 3i27 s GLN 152 N 0.11 3.76 0.32 1.70 0.74 0.00 -4.90 119.66 121.38 3i27 s GLN 152 Ca -0.01 -0.47 -0.29 0.00 0.05 0.00 0.00 55.36 54.65 3i27 s GLN 152 Cb -0.04 -3.01 -0.13 0.00 1.10 0.00 0.00 33.01 30.93 3i27 s GLN 152 CO -0.00 0.23 1.31 0.00 -0.55 0.00 0.00 175.29 176.28 3i27 n ALA 153 N 3.58 1.24 -1.29 1.58 0.00 -1.26 -0.21 120.51 124.15 3i27 n ALA 153 Ca -0.17 0.37 -0.29 0.00 0.00 0.00 0.00 53.44 53.35 3i27 n ALA 153 Cb 0.52 -2.26 0.20 0.00 0.00 0.00 0.00 19.45 17.92 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 -0.17 1.60 0.10 0.00 0.00 -0.78 -4.77 107.32 103.30 3i27 s GLY 154 Ca 0.58 -0.79 -0.03 0.00 0.00 0.00 0.00 44.72 44.49 3i27 s GLY 154 CO 0.59 -0.03 0.07 -1.34 0.00 0.00 0.00 173.10 172.39 3i27 s VAL 155 N -3.16 0.14 0.23 1.40 -7.23 -1.26 -4.93 120.40 105.58 3i27 s VAL 155 Ca 0.69 -1.73 -0.25 0.00 -1.81 0.00 0.00 61.98 58.87 3i27 s VAL 155 Cb -0.12 -1.76 -0.09 0.00 0.56 0.00 0.00 36.38 34.97 3i27 s VAL 155 CO 0.56 -0.64 0.84 0.00 -0.31 0.00 0.00 175.10 175.54 3i27 h ARG 157 N 3.88 0.49 0.00 0.00 2.43 -1.37 -0.86 114.38 118.96 3i27 h ARG 157 Ca -0.47 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 58.67 3i27 h ARG 157 Cb 1.20 -0.11 0.00 0.00 -0.42 0.00 0.00 29.97 30.64 3i27 h ARG 157 CO 0.66 0.34 0.00 0.25 -1.51 0.00 0.00 179.97 179.71 3i27 n THR 158 N -4.47 0.75 -0.94 0.20 -2.24 -0.76 -4.88 114.28 101.94 3i27 n THR 158 Ca 0.02 0.15 0.00 0.00 -2.27 0.00 0.00 64.05 61.95 3i27 n THR 158 Cb 0.07 -0.93 0.00 0.00 -2.10 0.00 0.00 70.33 67.37 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 -1.81 -3.82 -4.19 3.42 5.03 -0.33 -5.02 115.26 108.54 3i27 n ASN 159 Ca 0.04 0.00 -0.30 0.00 0.87 0.00 0.00 54.58 55.19 3i27 n ASN 159 Cb 0.24 -2.09 0.18 0.00 -1.02 0.00 0.00 39.78 37.10 3i27 n ASN 159 CO 0.00 0.00 0.00 -0.54 -1.83 0.00 0.00 177.26 174.89 3i27 s LYS 160 N -1.05 0.55 -0.13 3.52 1.02 -1.26 -4.92 119.74 117.47 3i27 s LYS 160 Ca 0.00 -0.29 -0.29 0.00 0.02 0.00 0.00 55.97 55.40 3i27 s LYS 160 Cb 0.00 -1.82 -0.03 0.00 -0.52 0.00 0.00 37.83 35.45 3i27 s LYS 160 CO 0.00 -2.50 1.45 -1.14 -0.92 0.00 0.00 175.35 172.25 3i27 s GLN 161 N -5.78 4.17 0.34 1.68 2.00 -1.26 -4.24 119.66 116.57 3i27 s GLN 161 Ca 0.72 1.87 -0.29 0.00 -2.00 0.00 0.00 55.36 55.67 3i27 s GLN 161 Cb -0.06 -3.88 -0.11 0.00 0.80 0.00 0.00 33.01 29.77 3i27 s GLN 161 CO 0.53 -0.82 1.43 -1.17 -0.50 0.00 0.00 175.29 174.76 3i27 s LEU 162 N 3.87 4.36 0.32 3.68 2.96 -1.26 -4.94 118.68 127.67 3i27 s LEU 162 Ca 0.64 2.89 -0.28 0.00 -0.22 0.00 0.00 54.13 57.15 3i27 s LEU 162 Cb -0.27 -3.66 -0.13 0.00 0.50 0.00 0.00 46.19 42.64 3i27 s LEU 162 CO 0.22 -0.75 1.17 -2.65 -1.32 0.00 0.00 176.35 173.02 3i27 n PRO 163 N 0.87 1.79 0.17 0.98 -0.02 -1.26 -4.90 135.00 132.63 3i27 n PRO 163 Ca 0.02 0.63 0.05 0.00 -2.02 0.00 0.00 63.50 62.17 3i27 n PRO 163 Cb 0.40 -2.12 0.19 0.00 -0.02 0.00 0.00 33.50 31.95 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 2.30 0.00 -3.40 2.55 3.32 -1.27 -3.43 116.42 116.49 3i27 h ASP 164 Ca -0.43 0.00 -0.37 0.00 0.02 0.00 0.00 57.03 56.25 3i27 h ASP 164 Cb 1.31 0.00 -0.36 0.00 0.22 0.00 0.00 39.33 40.50 3i27 h ASP 164 CO 0.62 0.41 -0.75 0.21 -1.72 0.00 0.00 179.24 178.01 3i27 s ASN 165 N -6.40 0.84 0.73 6.45 2.47 -0.60 -3.35 114.94 115.08 3i27 s ASN 165 Ca 0.02 -0.01 -0.12 0.00 0.42 0.00 0.00 52.86 53.18 3i27 s ASN 165 Cb 0.09 -0.24 0.04 0.00 -1.45 0.00 0.00 41.25 39.69 3i27 s ASN 165 CO 0.71 -0.16 1.10 -2.16 -3.72 0.00 0.00 177.10 172.87 3i27 s PRO 166 N 1.53 2.43 0.14 0.43 0.04 -1.26 -4.44 135.00 133.88 3i27 s PRO 166 Ca -0.03 1.27 -0.31 0.00 0.04 0.00 0.00 61.00 61.98 3i27 s PRO 166 Cb -0.13 -1.91 -0.08 0.00 0.04 0.00 0.00 34.50 32.42 3i27 s PRO 166 CO -0.03 -1.52 1.36 0.50 0.04 0.00 0.00 177.00 177.35 3i27 s ARG 167 N -4.57 4.34 -0.22 4.56 3.52 0.63 -4.85 118.95 122.35 3i27 s ARG 167 Ca 0.64 2.06 -0.02 0.00 -0.13 0.00 0.00 55.73 58.28 3i27 s ARG 167 Cb -0.19 -3.23 0.01 0.00 -1.56 0.00 0.00 34.95 29.98 3i27 s ARG 167 CO 0.50 -0.37 -0.08 -1.17 -0.81 0.00 0.00 175.30 173.37 3i27 s LEU 168 N 0.69 2.85 0.16 -0.88 2.96 -1.26 -2.34 118.68 120.87 3i27 s LEU 168 Ca 0.62 -0.64 -0.06 0.00 -0.22 0.00 0.00 54.13 53.83 3i27 s LEU 168 Cb -0.37 -1.65 -0.02 0.00 0.50 0.00 0.00 46.19 44.65 3i27 s LEU 168 CO 0.33 -0.06 0.22 0.00 -1.32 0.00 0.00 176.35 175.52 3i27 s ALA 169 N 1.38 0.35 -0.18 5.97 0.00 -0.04 -1.87 121.76 127.37 3i27 s ALA 169 Ca 0.03 -1.13 0.01 0.00 0.00 0.00 0.00 51.96 50.87 3i27 s ALA 169 Cb -0.15 0.93 0.02 0.00 0.00 0.00 0.00 23.12 23.92 3i27 s ALA 169 CO -0.06 -0.61 -0.19 -0.51 0.00 0.00 0.00 175.76 174.39 3i27 s LEU 170 N -3.01 2.17 0.76 0.00 1.02 0.70 -0.62 118.68 119.71 3i27 s LEU 170 Ca 0.22 -0.63 -0.11 0.00 0.02 0.00 0.00 54.13 53.62 3i27 s LEU 170 Cb 0.05 -1.49 0.05 0.00 0.02 0.00 0.00 46.19 44.81 3i27 s LEU 170 CO 0.02 0.00 1.10 -0.76 0.02 0.00 0.00 176.35 176.73 3i27 s LEU 171 N 1.29 3.08 0.00 1.79 1.43 0.39 -0.82 118.68 125.84 3i27 s LEU 171 Ca 0.05 1.86 0.29 0.00 -1.03 0.00 0.00 54.13 55.30 3i27 s LEU 171 Cb -0.13 -4.53 1.28 0.00 0.03 0.00 0.00 46.19 42.84 3i27 s LEU 171 CO -0.12 -2.01 1.94 -1.20 0.23 0.00 0.00 176.35 175.19 3i27 n SER 172 N -3.39 0.02 -2.65 2.29 7.64 -1.25 -4.81 113.62 111.46 3i27 n SER 172 Ca 0.09 0.35 -0.13 0.00 1.01 0.00 0.00 58.87 60.20 3i27 n SER 172 Cb 0.53 -0.44 -0.04 0.00 -1.01 0.00 0.00 64.21 63.25 3i27 n SER 172 CO 0.00 0.00 0.00 -0.90 -3.01 0.00 0.00 175.04 171.13 3i27 n ASP 173 N -1.46 0.70 -0.46 6.43 5.68 -1.26 -5.07 116.55 121.12 3i27 n ASP 173 Ca 0.08 -2.20 0.07 0.00 -0.50 0.00 0.00 54.79 52.24 3i27 n ASP 173 Cb 0.32 0.66 0.19 0.00 -1.14 0.00 0.00 41.12 41.15 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 -0.47 2.08 -3.28 2.12 -2.24 -1.26 -2.97 114.28 108.26 3i27 n THR 174 Ca -0.01 -2.93 -0.35 0.00 -2.27 0.00 0.00 64.05 58.49 3i27 n THR 174 Cb 0.34 -0.22 -0.06 0.00 -2.10 0.00 0.00 70.33 68.29 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 -3.09 4.78 0.36 2.28 1.01 -1.26 -4.42 120.40 120.06 3i27 s VAL 175 Ca 0.36 0.90 -0.28 0.00 0.00 0.00 0.00 61.98 62.96 3i27 s VAL 175 Cb 0.34 -3.74 -0.11 0.00 0.00 0.00 0.00 36.38 32.88 3i27 s VAL 175 CO -0.04 0.15 1.52 -2.65 0.00 0.00 0.00 175.10 174.08 3i27 n PRO 176 N 0.55 2.69 -3.68 2.72 -0.02 -1.17 -4.08 135.00 132.01 3i27 n PRO 176 Ca -0.03 0.95 -0.12 0.00 -2.02 0.00 0.00 63.50 62.28 3i27 n PRO 176 Cb 0.52 -2.69 -0.06 0.00 -0.02 0.00 0.00 33.50 31.25 3i27 n PRO 176 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 3i27 s THR 177 N -0.87 0.07 -0.08 3.45 2.01 -0.92 -4.96 115.64 114.34 3i27 s THR 177 Ca 0.55 -0.56 -0.05 0.00 0.31 0.00 0.00 61.69 61.94 3i27 s THR 177 Cb -0.48 -1.04 0.03 0.00 0.01 0.00 0.00 72.50 71.03 3i27 s THR 177 CO 0.60 -0.31 0.19 -0.44 -0.69 0.00 0.00 174.62 173.97 3i27 s SER 178 N -2.30 -0.19 0.17 3.53 0.01 -1.26 -1.18 113.70 112.48 3i27 s SER 178 Ca -0.02 0.39 0.08 0.00 1.31 0.00 0.00 55.95 57.70 3i27 s SER 178 Cb 0.00 0.33 -0.04 0.00 0.21 0.00 0.00 66.02 66.52 3i27 s SER 178 CO -0.06 -0.11 -0.03 0.68 0.41 0.00 0.00 173.24 174.13 3i27 s VAL 179 N 0.68 3.58 -0.20 3.43 -7.23 -0.85 -4.96 120.40 114.85 3i27 s VAL 179 Ca -0.05 -1.47 -0.09 0.00 -1.81 0.00 0.00 61.98 58.57 3i27 s VAL 179 Cb -0.06 -2.79 -0.05 0.00 0.56 0.00 0.00 36.38 34.04 3i27 s VAL 179 CO -0.04 -0.10 0.11 -1.10 -0.31 0.00 0.00 175.10 173.67 3i27 s GLN 180 N -2.87 4.07 0.09 4.82 1.11 -1.26 -0.35 119.66 125.26 3i27 s GLN 180 Ca 0.27 -0.28 0.08 0.00 0.01 0.00 0.00 55.36 55.43 3i27 s GLN 180 Cb -0.09 -3.37 -0.04 0.00 -1.01 0.00 0.00 33.01 28.50 3i27 s GLN 180 CO 0.18 0.23 -0.16 -0.59 0.01 0.00 0.00 175.29 174.95 3i27 s PHE 181 N 0.54 2.59 -0.19 0.91 -0.71 -0.13 -4.16 117.98 116.82 3i27 s PHE 181 Ca 0.06 -0.23 -0.03 0.00 -1.04 0.00 0.00 56.93 55.68 3i27 s PHE 181 Cb -0.12 -1.40 -0.02 0.00 -1.21 0.00 0.00 43.02 40.27 3i27 s PHE 181 CO 0.00 0.35 -0.05 0.08 -1.34 0.00 0.00 175.22 174.27 3i27 s VAL 182 N -1.09 3.50 -0.39 -2.49 1.01 -1.26 -0.60 120.40 119.08 3i27 s VAL 182 Ca 0.17 -0.47 -0.17 0.00 0.00 0.00 0.00 61.98 61.52 3i27 s VAL 182 Cb -0.11 -2.56 0.01 0.00 0.00 0.00 0.00 36.38 33.72 3i27 s VAL 182 CO 0.09 0.45 0.42 -0.76 0.00 0.00 0.00 175.10 175.31 3i27 s LEU 183 N 1.01 4.68 0.71 3.92 1.43 0.50 -4.63 118.68 126.31 3i27 s LEU 183 Ca 0.00 -0.48 -0.11 0.00 -1.03 0.00 0.00 54.13 52.51 3i27 s LEU 183 Cb -0.15 -2.39 0.01 0.00 0.03 0.00 0.00 46.19 43.70 3i27 s LEU 183 CO 0.00 -0.50 1.07 -2.16 0.23 0.00 0.00 176.35 174.99 3i27 s PRO 184 N 2.13 2.85 0.15 1.29 0.04 -1.26 -0.63 135.00 139.57 3i27 s PRO 184 Ca 0.13 0.85 0.26 0.00 0.04 0.00 0.00 61.00 62.27 3i27 s PRO 184 Cb -0.17 -1.99 0.93 0.00 0.04 0.00 0.00 34.50 33.31 3i27 s PRO 184 CO 0.13 -1.13 1.79 0.41 0.04 0.00 0.00 177.00 178.24 3i27 n GLY 185 N -2.15 -1.58 3.59 0.56 0.00 -1.26 -4.65 105.19 99.71 3i27 n GLY 185 Ca 0.07 -0.03 -0.08 0.00 0.00 0.00 0.00 46.02 45.98 3i27 n GLY 185 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3i27 s SER 186 N -4.06 -0.37 -0.07 1.61 1.04 -1.26 -0.55 113.70 110.05 3i27 s SER 186 Ca 0.11 -0.19 -0.02 0.00 0.48 0.00 0.00 55.95 56.33 3i27 s SER 186 Cb 0.13 0.53 0.03 0.00 0.10 0.00 0.00 66.02 66.82 3i27 s SER 186 CO 0.54 -0.91 0.04 -0.55 0.98 0.00 0.00 173.24 173.35 3i27 s SER 187 N -2.73 1.47 1.43 7.02 0.15 0.58 -4.85 113.70 116.76 3i27 s SER 187 Ca 0.06 -0.07 0.00 0.00 0.70 0.00 0.00 55.95 56.64 3i27 s SER 187 Cb -0.02 -0.27 0.00 0.00 -1.71 0.00 0.00 66.02 64.02 3i27 s SER 187 CO -0.05 -0.24 0.00 0.61 1.20 0.00 0.00 173.24 174.76 3i27 n GLY 188 N 5.24 3.46 0.53 9.45 0.00 -1.26 -0.24 105.19 122.36 3i27 n GLY 188 Ca -0.05 0.02 0.13 0.00 0.00 0.00 0.00 46.02 46.12 3i27 n GLY 188 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3i27 n THR 189 N 0.00 0.09 -3.27 2.61 -2.24 -1.26 -4.88 114.28 105.32 3i27 n THR 189 Ca 0.00 -0.30 -0.38 0.00 -2.27 0.00 0.00 64.05 61.10 3i27 n THR 189 Cb 0.00 0.48 -0.06 0.00 -2.10 0.00 0.00 70.33 68.66 3i27 n THR 189 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 3i27 s THR 190 N -1.91 5.13 0.14 4.28 2.01 0.67 -5.06 115.64 120.90 3i27 s THR 190 Ca 0.36 1.06 -0.26 0.00 0.31 0.00 0.00 61.69 63.15 3i27 s THR 190 Cb 0.20 -3.86 -0.07 0.00 0.01 0.00 0.00 72.50 68.78 3i27 s THR 190 CO 0.31 0.34 0.81 -0.63 -0.69 0.00 0.00 174.62 174.76 3i27 s ILE 191 N 0.46 4.43 -0.60 1.82 -1.09 -1.26 -0.31 121.20 124.65 3i27 s ILE 191 Ca 0.28 1.77 -0.07 0.00 -2.23 0.00 0.00 60.65 60.40 3i27 s ILE 191 Cb -0.16 -4.17 0.16 0.00 -1.58 0.00 0.00 42.46 36.70 3i27 s ILE 191 CO 0.12 0.47 0.46 0.00 -1.23 0.00 0.00 174.94 174.76 3i27 h THR 193 N 5.51 0.00 -2.86 0.00 1.35 -1.18 -3.42 112.91 112.31 3i27 h THR 193 Ca -0.06 -0.48 0.08 0.00 -0.55 0.00 0.00 66.41 65.40 3i27 h THR 193 Cb 1.01 1.44 -0.07 0.00 -1.73 0.00 0.00 68.15 68.81 3i27 h THR 193 CO 0.76 0.00 0.28 -1.59 -0.25 0.00 0.00 175.52 174.72 3i27 s LYS 194 N -3.15 1.58 -0.01 4.72 -2.85 -0.70 -4.34 119.74 114.99 3i27 s LYS 194 Ca 0.09 -0.83 0.00 0.00 -1.00 0.00 0.00 55.97 54.24 3i27 s LYS 194 Cb 0.11 0.56 0.01 0.00 -2.06 0.00 0.00 37.83 36.45 3i27 s LYS 194 CO 0.57 -0.72 -0.01 -1.01 0.10 0.00 0.00 175.35 174.29 3i27 s HIS 195 N -3.76 0.17 -0.35 1.78 3.76 0.88 -1.42 115.29 116.35 3i27 s HIS 195 Ca 0.10 -0.00 -0.18 0.00 -0.15 0.00 0.00 55.06 54.82 3i27 s HIS 195 Cb -0.04 -0.18 -0.00 0.00 1.11 0.00 0.00 32.58 33.47 3i27 s HIS 195 CO 0.03 -0.04 0.50 -1.17 -0.85 0.00 0.00 174.74 173.21 3i27 s LEU 196 N 0.32 4.37 -0.04 0.89 0.20 -0.24 -0.80 118.68 123.38 3i27 s LEU 196 Ca -0.03 -0.06 0.03 0.00 0.69 0.00 0.00 54.13 54.76 3i27 s LEU 196 Cb -0.05 -2.57 0.00 0.00 -0.43 0.00 0.00 46.19 43.15 3i27 s LEU 196 CO -0.01 -0.48 -0.11 -0.69 -0.29 0.00 0.00 176.35 174.77 3i27 s VAL 197 N 2.37 0.96 0.19 1.68 1.01 -0.15 -1.91 120.40 124.56 3i27 s VAL 197 Ca 0.18 -0.44 -0.25 0.00 0.00 0.00 0.00 61.98 61.47 3i27 s VAL 197 Cb -0.16 -0.85 -0.08 0.00 0.00 0.00 0.00 36.38 35.29 3i27 s VAL 197 CO 0.13 0.30 0.80 -2.16 0.00 0.00 0.00 175.10 174.17 3i27 s PRO 198 N 0.27 4.58 -0.18 2.72 0.04 -1.26 -0.10 135.00 141.06 3i27 s PRO 198 Ca -0.05 1.18 0.01 0.00 0.04 0.00 0.00 61.00 62.18 3i27 s PRO 198 Cb -0.11 -3.20 0.03 0.00 0.04 0.00 0.00 34.50 31.26 3i27 s PRO 198 CO 0.01 0.53 -0.18 0.12 0.04 0.00 0.00 177.00 177.53 3i27 s PHE 199 N -1.22 2.73 0.16 0.56 5.36 0.55 -4.64 117.98 121.47 3i27 s PHE 199 Ca 0.38 -1.65 0.04 0.00 -0.96 0.00 0.00 56.93 54.73 3i27 s PHE 199 Cb -0.23 -1.86 -0.05 0.00 -0.34 0.00 0.00 43.02 40.55 3i27 s PHE 199 CO 0.26 -0.79 -0.07 0.00 -1.46 0.00 0.00 175.22 173.16 3i27 s TYR 201 N -3.40 -0.26 -0.34 0.00 -0.85 -0.22 -4.95 117.35 107.33 3i27 s TYR 201 Ca 0.19 -0.13 -0.12 0.00 -0.52 0.00 0.00 57.07 56.49 3i27 s TYR 201 Cb 0.04 0.64 -0.01 0.00 0.38 0.00 0.00 41.96 43.01 3i27 s TYR 201 CO 0.02 -1.11 0.21 -0.51 -1.52 0.00 0.00 175.55 172.63 3i27 s LEU 202 N -2.88 4.45 0.00 -3.49 1.43 -1.26 -1.01 118.68 115.93 3i27 s LEU 202 Ca 0.09 -0.56 -0.00 0.00 -1.03 0.00 0.00 54.13 52.62 3i27 s LEU 202 Cb -0.04 -2.08 0.05 0.00 0.03 0.00 0.00 46.19 44.14 3i27 s LEU 202 CO 0.01 -0.26 0.32 -0.46 0.23 0.00 0.00 176.35 176.19 3i27 n ASN 203 N 5.05 0.40 -2.54 2.29 6.94 -0.27 -4.81 115.26 122.34 3i27 n ASN 203 Ca -0.13 -1.34 -0.09 0.00 -0.02 0.00 0.00 54.58 53.00 3i27 n ASN 203 Cb 0.49 -0.21 0.04 0.00 -2.36 0.00 0.00 39.78 37.74 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 -1.88 -1.46 -1.71 -2.53 8.25 -1.26 -4.05 115.22 110.58 3i27 n HIS 204 Ca 0.05 0.51 0.00 0.00 -0.26 0.00 0.00 57.72 58.02 3i27 n HIS 204 Cb 0.18 -3.48 0.00 0.00 1.12 0.00 0.00 29.99 27.81 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 -1.33 -2.17 3.71 -1.41 0.00 -1.26 -4.77 105.19 97.97 3i27 n GLY 205 Ca -0.05 -1.74 -0.32 0.00 0.00 0.00 0.00 46.02 43.91 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 -2.52 2.01 -0.31 0.00 5.36 0.80 -4.78 117.98 118.54 3i27 s PHE 207 Ca 0.67 -0.86 -0.26 0.00 -0.96 0.00 0.00 56.93 55.52 3i27 s PHE 207 Cb -0.23 -1.41 0.01 0.00 -0.34 0.00 0.00 43.02 41.04 3i27 s PHE 207 CO 0.53 -0.41 0.91 0.99 -1.46 0.00 0.00 175.22 175.79 3i27 s THR 208 N 0.71 4.67 -0.05 0.12 2.01 -1.26 -0.21 115.64 121.64 3i27 s THR 208 Ca -0.12 1.42 -0.04 0.00 0.31 0.00 0.00 61.69 63.25 3i27 s THR 208 Cb -0.16 -4.26 0.01 0.00 0.01 0.00 0.00 72.50 68.10 3i27 s THR 208 CO 0.03 -0.35 0.12 0.28 -0.69 0.00 0.00 174.62 174.01 3i27 s THR 209 N 3.25 -0.00 -0.99 -0.82 -1.32 -0.94 -4.94 115.64 109.87 3i27 s THR 209 Ca 0.38 0.01 -0.12 0.00 -1.21 0.00 0.00 61.69 60.75 3i27 s THR 209 Cb -0.13 -0.18 0.12 0.00 -1.51 0.00 0.00 72.50 70.80 3i27 s THR 209 CO 0.14 0.00 0.32 0.61 -2.21 0.00 0.00 174.62 173.48 3i27 n GLY 210 N 3.09 -0.45 0.00 6.08 0.00 -1.26 -4.39 105.19 108.26 3i27 n GLY 210 Ca -0.13 0.04 0.00 0.00 0.00 0.00 0.00 46.02 45.93 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 -0.80 -0.57 0.00 -0.02 0.00 -1.26 -5.11 105.19 97.42 3i27 n GLY 211 Ca 0.06 0.15 0.00 0.00 0.00 0.00 0.00 46.02 46.23 3i27 n GLY 211 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 3i27 n SER 212 N 0.00 0.00 -4.55 1.61 2.88 -1.26 -5.04 113.62 107.26 3i27 n SER 212 Ca 0.00 0.00 -0.43 0.00 -1.33 0.00 0.00 58.87 57.11 3i27 n SER 212 Cb 0.00 0.00 -0.05 0.00 -0.75 0.00 0.00 64.21 63.41 3i27 n SER 212 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3i27 s LEU 214 N 3.51 4.05 0.34 0.00 1.43 0.71 -4.67 118.68 124.04 3i27 s LEU 214 Ca 0.32 0.24 -0.29 0.00 -1.03 0.00 0.00 54.13 53.37 3i27 s LEU 214 Cb -0.11 -2.29 -0.11 0.00 0.03 0.00 0.00 46.19 43.71 3i27 s LEU 214 CO 0.24 0.30 1.49 -2.84 0.23 0.00 0.00 176.35 175.76 3i27 s PRO 215 N -1.62 4.16 -0.50 1.29 0.02 -1.26 -0.14 135.00 136.95 3i27 s PRO 215 Ca 0.22 2.50 -0.17 0.00 0.02 0.00 0.00 61.00 63.57 3i27 s PRO 215 Cb -0.12 -3.01 0.08 0.00 0.02 0.00 0.00 34.50 31.47 3i27 s PRO 215 CO 0.13 -0.50 0.48 0.12 -0.33 0.00 0.00 177.00 176.90 3i27 s PHE 216 N -0.72 3.19 -0.13 6.54 5.36 -0.58 -4.80 117.98 126.83 3i27 s PHE 216 Ca 0.56 -0.90 -0.04 0.00 -0.96 0.00 0.00 56.93 55.59 3i27 s PHE 216 Cb -0.45 -3.40 0.05 0.00 -0.34 0.00 0.00 43.02 38.87 3i27 s PHE 216 CO 0.56 -0.92 0.08 0.20 -1.46 0.00 0.00 175.22 173.68 3i27 s GLY 217 N 2.84 0.33 0.06 13.12 0.00 -1.26 -1.52 107.32 120.89 3i27 s GLY 217 Ca 0.07 -0.18 0.01 0.00 0.00 0.00 0.00 44.72 44.62 3i27 s GLY 217 CO 0.07 1.59 -0.05 -1.34 0.00 0.00 0.00 173.10 173.38 3i27 s VAL 218 N 2.13 0.41 -0.01 1.40 -7.23 -0.78 -1.39 120.40 114.94 3i27 s VAL 218 Ca 0.03 -1.63 -0.29 0.00 -1.81 0.00 0.00 61.98 58.28 3i27 s VAL 218 Cb -0.15 -1.27 0.08 0.00 0.56 0.00 0.00 36.38 35.60 3i27 s VAL 218 CO -0.07 -0.80 0.70 -0.94 -0.31 0.00 0.00 175.10 173.68 3i27 s SER 219 N -2.57 -0.59 -0.20 4.85 1.04 -0.53 -1.42 113.70 114.28 3i27 s SER 219 Ca 0.03 0.47 -0.06 0.00 0.48 0.00 0.00 55.95 56.87 3i27 s SER 219 Cb 0.02 0.52 -0.03 0.00 0.10 0.00 0.00 66.02 66.64 3i27 s SER 219 CO -0.06 -0.68 0.02 -0.31 0.98 0.00 0.00 173.24 173.19 3i27 s TYR 220 N -1.94 3.08 -0.05 5.02 2.02 0.93 -0.70 117.35 125.70 3i27 s TYR 220 Ca -0.06 -0.34 -0.03 0.00 -0.37 0.00 0.00 57.07 56.27 3i27 s TYR 220 Cb -0.00 -2.09 0.02 0.00 -0.40 0.00 0.00 41.96 39.49 3i27 s TYR 220 CO 0.02 -0.16 0.12 0.08 -1.57 0.00 0.00 175.55 174.04 3i27 s VAL 221 N 0.89 -0.02 0.28 0.71 1.01 0.43 -1.64 120.40 122.06 3i27 s VAL 221 Ca 0.02 0.08 0.04 0.00 0.00 0.00 0.00 61.98 62.11 3i27 s VAL 221 Cb -0.14 -0.19 -0.01 0.00 0.00 0.00 0.00 36.38 36.04 3i27 s VAL 221 CO 0.02 0.03 0.14 -1.54 0.00 0.00 0.00 175.10 173.75 3i27 n SER 222 N 3.51 0.61 -0.24 3.32 3.41 -0.28 -0.02 113.62 123.92 3i27 n SER 222 Ca -0.18 -2.58 0.23 0.00 -0.26 0.00 0.00 58.87 56.08 3i27 n SER 222 Cb 0.56 0.90 0.58 0.00 -0.26 0.00 0.00 64.21 65.99 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 1.28 0.28 -0.07 4.04 3.32 -2.01 -3.12 116.42 120.13 3i27 h ASP 223 Ca -0.21 0.03 0.00 0.00 0.02 0.00 0.00 57.03 56.87 3i27 h ASP 223 Cb 0.88 -0.01 0.00 0.00 0.22 0.00 0.00 39.33 40.41 3i27 h ASP 223 CO 0.33 0.10 0.00 -0.24 -1.72 0.00 0.00 179.24 177.70 3i27 n SER 224 N -4.45 2.53 -3.64 6.45 2.88 -1.26 -5.02 113.62 111.12 3i27 n SER 224 Ca 0.20 -2.70 -0.11 0.00 -1.33 0.00 0.00 58.87 54.92 3i27 n SER 224 Cb 0.82 -0.32 -0.07 0.00 -0.75 0.00 0.00 64.21 63.89 3i27 n SER 224 CO 0.00 0.00 0.00 0.12 -1.23 0.00 0.00 175.04 173.93 3i27 s PHE 225 N -2.23 -0.89 -0.03 0.66 5.36 -1.18 -5.12 117.98 114.55 3i27 s PHE 225 Ca 0.24 2.00 -0.01 0.00 -0.96 0.00 0.00 56.93 58.20 3i27 s PHE 225 Cb 0.20 0.41 0.03 0.00 -0.34 0.00 0.00 43.02 43.32 3i27 s PHE 225 CO 0.04 -0.44 0.06 -0.47 -1.46 0.00 0.00 175.22 172.96 3i27 s TYR 226 N 0.87 -0.03 -0.16 10.12 5.04 -1.26 -1.13 117.35 130.80 3i27 s TYR 226 Ca -0.04 0.22 -0.07 0.00 -2.44 0.00 0.00 57.07 54.73 3i27 s TYR 226 Cb -0.05 -0.17 0.07 0.00 0.35 0.00 0.00 41.96 42.15 3i27 s TYR 226 CO -0.07 -0.10 0.36 -0.47 -1.34 0.00 0.00 175.55 173.93 3i27 s TYR 227 N 0.99 -0.57 0.34 4.97 5.04 -0.65 -5.02 117.35 122.45 3i27 s TYR 227 Ca -0.08 1.20 -0.12 0.00 -2.44 0.00 0.00 57.07 55.63 3i27 s TYR 227 Cb -0.11 0.19 0.03 0.00 0.35 0.00 0.00 41.96 42.41 3i27 s TYR 227 CO -0.03 -0.36 0.64 0.20 -1.34 0.00 0.00 175.55 174.66 3i27 s GLY 228 N 1.85 0.66 -0.11 8.97 0.00 -1.26 -0.05 107.32 117.38 3i27 s GLY 228 Ca -0.06 -0.94 -0.12 0.00 0.00 0.00 0.00 44.72 43.61 3i27 s GLY 228 CO -0.11 -0.53 0.32 -0.47 0.00 0.00 0.00 173.10 172.31 3i27 s TYR 229 N -2.99 -0.34 -0.10 1.90 5.04 -0.51 -5.00 117.35 115.35 3i27 s TYR 229 Ca 0.20 0.80 -0.06 0.00 -2.44 0.00 0.00 57.07 55.57 3i27 s TYR 229 Cb -0.03 0.12 0.04 0.00 0.35 0.00 0.00 41.96 42.44 3i27 s TYR 229 CO 0.13 -0.20 0.25 -0.47 -1.34 0.00 0.00 175.55 173.93 3i27 s TYR 230 N -0.00 -0.32 -0.18 4.97 5.04 -1.26 -1.86 117.35 123.74 3i27 s TYR 230 Ca -0.02 0.76 -0.08 0.00 -2.44 0.00 0.00 57.07 55.30 3i27 s TYR 230 Cb -0.03 0.07 0.07 0.00 0.35 0.00 0.00 41.96 42.43 3i27 s TYR 230 CO 0.01 -0.20 0.41 0.34 -1.34 0.00 0.00 175.55 174.77 3i27 s ASP 231 N 0.90 -0.39 0.00 4.32 -1.08 -0.58 -4.99 116.67 114.85 3i27 s ASP 231 Ca -0.06 0.93 0.07 0.00 -0.52 0.00 0.00 52.55 52.96 3i27 s ASP 231 Cb -0.07 1.01 0.13 0.00 -1.46 0.00 0.00 42.92 42.53 3i27 s ASP 231 CO -0.06 -0.21 0.98 0.00 0.52 0.00 0.00 175.17 176.41 3i27 n ALA 232 N 4.76 2.25 -1.68 3.66 0.00 -1.26 -1.52 120.51 126.72 3i27 n ALA 232 Ca -0.17 -0.88 -0.45 0.00 0.00 0.00 0.00 53.44 51.94 3i27 n ALA 232 Cb 0.53 -0.25 -0.04 0.00 0.00 0.00 0.00 19.45 19.69 3i27 n ALA 232 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 3i27 n THR 233 N 0.22 0.09 -1.52 0.00 -1.04 -1.26 -4.21 114.28 106.57 3i27 n THR 233 Ca 0.06 -0.02 -0.33 0.00 -2.04 0.00 0.00 64.05 61.72 3i27 n THR 233 Cb 0.28 -1.68 0.07 0.00 -1.82 0.00 0.00 70.33 67.19 3i27 n THR 233 CO 0.00 0.00 0.00 -2.84 -0.64 0.00 0.00 175.07 171.59 3i27 s PRO 234 N 1.44 2.43 -0.09 -2.82 0.02 -1.26 -1.29 135.00 133.44 3i27 s PRO 234 Ca 0.80 1.42 -0.15 0.00 0.02 0.00 0.00 61.00 63.10 3i27 s PRO 234 Cb -0.64 -1.90 -0.05 0.00 0.02 0.00 0.00 34.50 31.93 3i27 s PRO 234 CO 0.39 -1.54 0.37 -0.65 -0.33 0.00 0.00 177.00 175.24 3i27 s GLN 235 N -4.27 4.11 0.00 5.54 -1.52 -1.26 -4.90 119.66 117.37 3i27 s GLN 235 Ca 0.67 0.28 0.00 0.00 -1.95 0.00 0.00 55.36 54.36 3i27 s GLN 235 Cb -0.22 -3.34 0.00 0.00 -0.22 0.00 0.00 33.01 29.23 3i27 s GLN 235 CO 0.46 0.40 0.00 0.44 -0.25 0.00 0.00 175.29 176.35 3i27 n ILE 236 N 2.91 0.00 -2.13 1.08 -5.35 -1.26 -4.79 119.36 109.81 3i27 n ILE 236 Ca -0.12 0.46 -0.42 0.00 -0.27 0.00 0.00 62.75 62.40 3i27 n ILE 236 Cb 0.52 -1.41 -0.03 0.00 -1.74 0.00 0.00 39.64 36.99 3i27 n ILE 236 CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 3i27 s GLY 237 N -2.29 1.62 0.00 3.28 0.00 -1.26 -4.87 107.32 103.79 3i27 s GLY 237 Ca 0.00 0.84 0.00 0.00 0.00 0.00 0.00 44.72 45.56 3i27 s GLY 237 CO 0.00 2.81 0.41 -1.26 0.00 0.00 0.00 173.10 175.06 3i27 n SER 238 N 6.58 0.00 -4.55 1.64 2.88 -1.26 -4.11 113.62 114.80 3i27 n SER 238 Ca 0.16 0.00 -0.40 0.00 -1.33 0.00 0.00 58.87 57.30 3i27 n SER 238 Cb 0.43 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 63.86 3i27 n SER 238 CO 0.00 0.00 0.00 0.42 -1.23 0.00 0.00 175.04 174.23 3i27 s THR 239 N -1.96 3.62 -0.15 2.46 -4.23 -1.26 -5.02 115.64 109.10 3i27 s THR 239 Ca 0.00 0.23 -0.11 0.00 -1.18 0.00 0.00 61.69 60.62 3i27 s THR 239 Cb 0.00 -4.62 -0.05 0.00 1.34 0.00 0.00 72.50 69.18 3i27 s THR 239 CO 0.00 -1.56 0.23 -0.70 -0.54 0.00 0.00 174.62 172.05 3i27 s GLU 240 N 6.10 4.05 -0.02 3.99 2.12 -1.26 -4.97 118.70 128.72 3i27 s GLU 240 Ca 0.46 -0.01 0.04 0.00 0.36 0.00 0.00 54.97 55.82 3i27 s GLU 240 Cb -0.09 -3.36 -0.01 0.00 0.26 0.00 0.00 34.13 30.94 3i27 s GLU 240 CO 0.14 0.40 -0.14 0.45 -0.54 0.00 0.00 175.26 175.57 3i27 s SER 241 N 0.01 1.64 0.01 -1.70 0.15 -1.26 -5.13 113.70 107.42 3i27 s SER 241 Ca 0.14 -0.26 0.00 0.00 0.70 0.00 0.00 55.95 56.54 3i27 s SER 241 Cb -0.13 -0.25 -0.01 0.00 -1.71 0.00 0.00 66.02 63.93 3i27 s SER 241 CO 0.03 0.15 -0.01 -1.00 1.20 0.00 0.00 173.24 173.61 3i27 s HIS 242 N -0.21 0.13 -0.06 3.44 3.76 -1.26 -4.64 115.29 116.45 3i27 s HIS 242 Ca 0.03 -0.16 -0.02 0.00 -0.15 0.00 0.00 55.06 54.75 3i27 s HIS 242 Cb -0.07 -0.09 -0.04 0.00 1.11 0.00 0.00 32.58 33.50 3i27 s HIS 242 CO -0.00 -0.05 0.06 -0.51 -0.85 0.00 0.00 174.74 173.39 3i27 s ASP 243 N -0.45 5.66 -0.37 1.40 1.01 -1.26 -0.05 116.67 122.62 3i27 s ASP 243 Ca -0.04 0.21 -0.27 0.00 0.71 0.00 0.00 52.55 53.16 3i27 s ASP 243 Cb -0.03 -1.66 0.02 0.00 1.01 0.00 0.00 42.92 42.25 3i27 s ASP 243 CO -0.00 0.34 0.99 -0.47 0.21 0.00 0.00 175.17 176.24 3i27 s TYR 244 N -1.04 3.06 -0.02 4.23 5.04 -1.26 -1.11 117.35 126.26 3i27 s TYR 244 Ca 0.18 0.88 0.08 0.00 -2.44 0.00 0.00 57.07 55.76 3i27 s TYR 244 Cb -0.12 -3.76 -0.02 0.00 0.35 0.00 0.00 41.96 38.41 3i27 s TYR 244 CO 0.07 -0.87 -0.25 0.08 -1.34 0.00 0.00 175.55 173.25 3i27 s VAL 245 N 3.65 1.99 0.07 3.14 1.01 -0.18 -4.90 120.40 125.18 3i27 s VAL 245 Ca 0.41 -1.08 0.06 0.00 0.00 0.00 0.00 61.98 61.38 3i27 s VAL 245 Cb -0.11 -1.65 -0.03 0.00 0.00 0.00 0.00 36.38 34.59 3i27 s VAL 245 CO 0.19 0.56 -0.18 0.00 0.00 0.00 0.00 175.10 175.68 3i27 s ASP 247 N -1.56 3.82 -0.30 0.00 1.01 0.54 -4.97 116.67 115.20 3i27 s ASP 247 Ca 0.03 -0.59 -0.06 0.00 0.71 0.00 0.00 52.55 52.65 3i27 s ASP 247 Cb -0.09 -0.50 0.02 0.00 1.01 0.00 0.00 42.92 43.35 3i27 s ASP 247 CO 0.03 0.18 0.06 -0.31 0.21 0.00 0.00 175.17 175.34 3i27 s TYR 248 N -1.15 3.16 -0.04 4.23 1.51 -1.26 -0.33 117.35 123.46 3i27 s TYR 248 Ca 0.18 -1.17 0.00 0.00 -1.01 0.00 0.00 57.07 55.07 3i27 s TYR 248 Cb -0.10 -2.23 -0.03 0.00 -0.11 0.00 0.00 41.96 39.48 3i27 s TYR 248 CO 0.10 -0.63 -0.01 -0.51 -1.11 0.00 0.00 175.55 173.38 3i27 s LEU 249 N 1.45 3.49 -0.31 -1.29 1.43 0.86 -4.88 118.68 119.43 3i27 s LEU 249 Ca 0.01 0.05 -0.27 0.00 -1.03 0.00 0.00 54.13 52.88 3i27 s LEU 249 Cb -0.18 -1.90 0.01 0.00 0.03 0.00 0.00 46.19 44.16 3i27 s LEU 249 CO 0.01 0.33 0.98 0.12 0.23 0.00 0.00 176.35 178.02 3i27 s PHE 250 N -0.97 3.18 -0.01 0.29 5.36 -1.26 -0.97 117.98 123.59 3i27 s PHE 250 Ca 0.16 1.09 0.03 0.00 -0.96 0.00 0.00 56.93 57.25 3i27 s PHE 250 Cb -0.11 -3.50 -0.00 0.00 -0.34 0.00 0.00 43.02 39.06 3i27 s PHE 250 CO 0.06 -0.68 -0.10 -1.64 -1.46 0.00 0.00 175.22 171.40 3i27 s MET 251 N 3.39 0.90 0.59 10.12 -1.94 0.02 -4.96 119.30 127.42 3i27 s MET 251 Ca 0.41 -0.36 -0.15 0.00 -1.71 0.00 0.00 55.69 53.88 3i27 s MET 251 Cb -0.13 -0.86 -0.04 0.00 2.01 0.00 0.00 34.83 35.81 3i27 s MET 251 CO 0.14 0.19 1.04 -1.21 -0.01 0.00 0.00 175.02 175.17 3i27 s GLU 252 N -0.11 3.43 0.67 2.03 2.02 -1.26 -0.08 118.70 125.39 3i27 s GLU 252 Ca 0.02 1.11 -0.17 0.00 0.02 0.00 0.00 54.97 55.94 3i27 s GLU 252 Cb -0.06 -2.05 -0.00 0.00 0.10 0.00 0.00 34.13 32.12 3i27 s GLU 252 CO -0.00 -0.71 1.28 -1.25 0.02 0.00 0.00 175.26 174.60 3i27 s PRO 253 N -4.20 2.45 0.00 0.39 0.04 -1.26 -4.85 135.00 127.57 3i27 s PRO 253 Ca 0.62 2.02 0.00 0.00 0.04 0.00 0.00 61.00 63.68 3i27 s PRO 253 Cb -0.14 -1.84 0.00 0.00 0.04 0.00 0.00 34.50 32.56 3i27 s PRO 253 CO 0.38 -1.66 0.00 0.41 0.04 0.00 0.00 177.00 176.17 3i27 n GLY 254 N 0.84 -0.28 3.86 0.56 0.00 0.20 -4.98 105.19 105.39 3i27 n GLY 254 Ca 0.16 -1.58 -0.37 0.00 0.00 0.00 0.00 46.02 44.23 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 -2.36 5.36 0.07 2.61 2.01 -1.26 -0.37 115.64 121.71 3i27 s THR 255 Ca 0.00 0.15 0.02 0.00 0.31 0.00 0.00 61.69 62.16 3i27 s THR 255 Cb 0.00 -3.33 -0.04 0.00 0.01 0.00 0.00 72.50 69.14 3i27 s THR 255 CO 0.00 0.61 -0.07 -0.31 -0.69 0.00 0.00 174.62 174.17 3i27 s TYR 256 N -1.02 0.76 -0.07 4.92 2.02 0.23 -4.81 117.35 119.39 3i27 s TYR 256 Ca 0.15 -0.78 -0.17 0.00 -0.37 0.00 0.00 57.07 55.90 3i27 s TYR 256 Cb -0.12 -0.46 -0.05 0.00 -0.40 0.00 0.00 41.96 40.94 3i27 s TYR 256 CO 0.04 -0.15 0.47 -0.80 -1.57 0.00 0.00 175.55 173.54 3i27 s ASN 257 N -2.49 6.76 -0.49 2.29 0.01 0.96 -0.96 114.94 121.02 3i27 s ASN 257 Ca 0.03 0.90 -0.17 0.00 -0.71 0.00 0.00 52.86 52.91 3i27 s ASN 257 Cb -0.00 -2.28 0.07 0.00 0.41 0.00 0.00 41.25 39.44 3i27 s ASN 257 CO -0.03 0.11 0.52 0.00 -1.51 0.00 0.00 177.10 176.19 3i27 s ALA 258 N 0.01 3.47 0.11 0.60 0.00 0.52 -0.43 121.76 126.04 3i27 s ALA 258 Ca 0.26 -1.95 0.04 0.00 0.00 0.00 0.00 51.96 50.31 3i27 s ALA 258 Cb -0.16 -3.23 -0.04 0.00 0.00 0.00 0.00 23.12 19.69 3i27 s ALA 258 CO 0.12 -1.89 0.06 -1.12 0.00 0.00 0.00 175.76 172.93 3i27 s SER 259 N 2.71 5.35 0.03 0.00 0.01 0.12 -2.01 113.70 119.89 3i27 s SER 259 Ca 0.10 -0.10 0.01 0.00 1.31 0.00 0.00 55.95 57.26 3i27 s SER 259 Cb -0.22 -1.37 -0.02 0.00 0.21 0.00 0.00 66.02 64.62 3i27 s SER 259 CO 0.09 0.15 -0.04 0.28 0.41 0.00 0.00 173.24 174.12 3i27 s THR 260 N -1.46 0.23 -0.72 1.44 -1.32 -0.33 -1.45 115.64 112.02 3i27 s THR 260 Ca 0.29 -0.93 0.24 0.00 -1.21 0.00 0.00 61.69 60.08 3i27 s THR 260 Cb -0.11 -0.35 0.25 0.00 -1.51 0.00 0.00 72.50 70.78 3i27 s THR 260 CO 0.21 -0.45 1.74 1.33 -2.21 0.00 0.00 174.62 175.24 3i27 n VAL 261 N 1.60 0.63 0.00 5.08 0.24 -0.48 -2.16 118.33 123.24 3i27 n VAL 261 Ca -0.23 -0.02 0.00 0.00 -2.04 0.00 0.00 64.34 62.05 3i27 n VAL 261 Cb 0.55 -0.81 0.00 0.00 -1.47 0.00 0.00 33.84 32.11 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 0.77 4.16 5.00 7.63 0.00 -1.26 -3.04 105.19 118.45 3i27 n GLY 262 Ca 0.04 -0.81 0.00 0.00 0.00 0.00 0.00 46.02 45.26 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 -1.46 0.00 -3.37 1.61 3.00 -1.16 -4.78 118.16 112.00 3i27 n LYS 263 Ca 0.00 0.00 -0.38 0.00 -0.00 0.00 0.00 58.31 57.93 3i27 n LYS 263 Cb 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 35.03 34.97 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 3.61 -0.08 5.64 0.40 -1.26 -0.46 117.98 125.83 3i27 s PHE 264 Ca 0.00 0.96 0.02 0.00 -0.60 0.00 0.00 56.93 57.31 3i27 s PHE 264 Cb 0.00 -2.46 0.01 0.00 0.51 0.00 0.00 43.02 41.08 3i27 s PHE 264 CO 0.00 0.36 -0.14 -1.17 0.70 0.00 0.00 175.22 174.97 3i27 s LEU 265 N -0.08 1.68 -0.10 -0.37 2.96 0.21 -4.70 118.68 118.28 3i27 s LEU 265 Ca 0.25 -0.36 0.01 0.00 -0.22 0.00 0.00 54.13 53.81 3i27 s LEU 265 Cb -0.16 -0.97 0.02 0.00 0.50 0.00 0.00 46.19 45.58 3i27 s LEU 265 CO 0.12 0.03 -0.10 -0.69 -1.32 0.00 0.00 176.35 174.39 3i27 s VAL 266 N 0.80 1.11 -0.02 1.68 1.01 -1.25 -0.86 120.40 122.87 3i27 s VAL 266 Ca -0.11 -0.38 -0.15 0.00 0.00 0.00 0.00 61.98 61.34 3i27 s VAL 266 Cb -0.16 -1.08 0.02 0.00 0.00 0.00 0.00 36.38 35.17 3i27 s VAL 266 CO 0.02 0.37 0.32 -0.72 0.00 0.00 0.00 175.10 175.09 3i27 s TYR 267 N 1.35 -0.21 0.36 5.22 -0.85 -0.99 -4.72 117.35 117.51 3i27 s TYR 267 Ca -0.01 0.34 -0.25 0.00 -0.52 0.00 0.00 57.07 56.62 3i27 s TYR 267 Cb -0.14 0.11 -0.10 0.00 0.38 0.00 0.00 41.96 42.22 3i27 s TYR 267 CO -0.05 -0.38 1.00 -1.25 -1.52 0.00 0.00 175.55 173.35 3i27 s PRO 268 N -1.21 4.39 -0.00 -3.49 0.04 -1.26 -0.27 135.00 133.20 3i27 s PRO 268 Ca -0.12 1.42 0.01 0.00 0.04 0.00 0.00 61.00 62.35 3i27 s PRO 268 Cb -0.05 -2.67 -0.01 0.00 0.04 0.00 0.00 34.50 31.81 3i27 s PRO 268 CO 0.04 0.08 0.04 0.25 0.04 0.00 0.00 177.00 177.45 3i27 n THR 269 N 0.25 0.00 -3.94 1.26 -2.24 -1.26 -4.85 114.28 103.50 3i27 n THR 269 Ca 0.03 -0.40 -0.10 0.00 -2.27 0.00 0.00 64.05 61.32 3i27 n THR 269 Cb 0.50 0.91 -0.10 0.00 -2.10 0.00 0.00 70.33 69.54 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 -1.26 0.45 0.06 -0.78 1.02 -1.26 -0.77 119.74 117.20 3i27 s LYS 270 Ca 0.00 -0.60 -0.05 0.00 0.02 0.00 0.00 55.97 55.34 3i27 s LYS 270 Cb 0.01 0.17 -0.02 0.00 -0.52 0.00 0.00 37.83 37.47 3i27 s LYS 270 CO 0.04 -0.10 0.07 -1.54 -0.92 0.00 0.00 175.35 172.91 3i27 s SER 271 N -1.66 0.30 -0.51 2.83 1.04 -0.88 -4.69 113.70 110.13 3i27 s SER 271 Ca -0.12 -0.80 -0.25 0.00 0.48 0.00 0.00 55.95 55.26 3i27 s SER 271 Cb -0.06 0.26 0.03 0.00 0.10 0.00 0.00 66.02 66.35 3i27 s SER 271 CO -0.01 -0.64 0.97 -0.31 0.98 0.00 0.00 173.24 174.23 3i27 s TYR 272 N -3.73 2.83 -0.01 5.02 1.51 -0.80 -0.72 117.35 121.46 3i27 s TYR 272 Ca 0.05 0.24 -0.30 0.00 -1.01 0.00 0.00 57.07 56.05 3i27 s TYR 272 Cb 0.06 -4.09 -0.04 0.00 -0.11 0.00 0.00 41.96 37.78 3i27 s TYR 272 CO -0.10 -1.26 1.13 0.00 -1.11 0.00 0.00 175.55 174.21 3i27 s MET 274 N 1.51 0.71 0.08 0.00 -1.94 -0.51 -0.66 119.30 118.50 3i27 s MET 274 Ca 0.55 -0.49 -0.00 0.00 -1.71 0.00 0.00 55.69 54.04 3i27 s MET 274 Cb -0.25 -0.67 0.02 0.00 2.01 0.00 0.00 34.83 35.94 3i27 s MET 274 CO 0.26 0.17 0.11 -0.40 -0.01 0.00 0.00 175.02 175.15 3i27 n ASP 275 N 2.40 0.14 -4.15 3.03 5.68 -1.14 -0.75 116.55 121.75 3i27 n ASP 275 Ca -0.16 -1.12 -0.27 0.00 -0.50 0.00 0.00 54.79 52.74 3i27 n ASP 275 Cb 0.56 -0.07 -0.16 0.00 -1.14 0.00 0.00 41.12 40.31 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 -0.18 1.55 0.16 2.12 2.01 -1.26 -4.15 115.64 115.89 3i27 s THR 276 Ca 0.07 -0.77 0.07 0.00 0.31 0.00 0.00 61.69 61.37 3i27 s THR 276 Cb -0.00 -1.33 -0.04 0.00 0.01 0.00 0.00 72.50 71.13 3i27 s THR 276 CO 0.05 0.44 -0.04 0.00 -0.69 0.00 0.00 174.62 174.39 3i27 s MET 277 N 0.10 2.30 0.00 4.92 0.23 -0.68 -4.70 119.30 121.47 3i27 s MET 277 Ca -0.06 -1.11 0.11 0.00 -1.03 0.00 0.00 55.69 53.60 3i27 s MET 277 Cb -0.13 -2.32 0.43 0.00 -1.53 0.00 0.00 34.83 31.29 3i27 s MET 277 CO 0.03 0.46 1.32 0.09 -2.03 0.00 0.00 175.02 174.89 3i27 n ASN 278 N 0.08 1.14 -4.42 -1.18 4.13 -1.26 -4.76 115.26 108.99 3i27 n ASN 278 Ca -0.10 -1.86 -0.26 0.00 1.68 0.00 0.00 54.58 54.03 3i27 n ASN 278 Cb 0.55 -0.12 -0.11 0.00 -1.54 0.00 0.00 39.78 38.55 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 -1.76 2.32 -0.29 2.41 -4.36 -1.26 -5.14 121.20 113.12 3i27 s ILE 279 Ca 0.20 -2.08 -0.02 0.00 -0.26 0.00 0.00 60.65 58.49 3i27 s ILE 279 Cb 0.10 -2.12 0.04 0.00 1.25 0.00 0.00 42.46 41.73 3i27 s ILE 279 CO 0.15 -0.18 -0.00 -0.89 0.24 0.00 0.00 174.94 174.26 3i27 s THR 280 N -1.83 3.03 -0.12 8.37 2.01 -1.26 -4.56 115.64 121.28 3i27 s THR 280 Ca 0.22 -1.31 0.03 0.00 0.31 0.00 0.00 61.69 60.94 3i27 s THR 280 Cb -0.07 -2.71 0.01 0.00 0.01 0.00 0.00 72.50 69.74 3i27 s THR 280 CO 0.10 -0.06 -0.20 -0.69 -0.69 0.00 0.00 174.62 173.08 3i27 s VAL 281 N 1.28 1.86 0.49 3.82 1.01 -0.34 -5.02 120.40 123.50 3i27 s VAL 281 Ca -0.04 -0.87 -0.22 0.00 0.00 0.00 0.00 61.98 60.84 3i27 s VAL 281 Cb -0.19 -1.65 -0.06 0.00 0.00 0.00 0.00 36.38 34.48 3i27 s VAL 281 CO -0.01 0.51 1.23 -2.84 0.00 0.00 0.00 175.10 173.99 3i27 s PRO 282 N 0.74 3.52 0.69 2.72 0.02 -1.26 -4.29 135.00 137.14 3i27 s PRO 282 Ca -0.10 1.94 -0.09 0.00 0.02 0.00 0.00 61.00 62.76 3i27 s PRO 282 Cb -0.16 -2.34 0.03 0.00 0.02 0.00 0.00 34.50 32.05 3i27 s PRO 282 CO 0.01 -0.79 1.04 0.14 -0.33 0.00 0.00 177.00 177.08 3i27 s VAL 283 N -1.46 3.16 -0.07 3.83 -7.23 -0.56 -4.70 120.40 113.37 3i27 s VAL 283 Ca 0.67 0.18 0.04 0.00 -1.81 0.00 0.00 61.98 61.06 3i27 s VAL 283 Cb -0.33 -3.34 -0.01 0.00 0.56 0.00 0.00 36.38 33.26 3i27 s VAL 283 CO 0.39 -0.41 -0.21 -1.10 -0.31 0.00 0.00 175.10 173.46 3i27 s GLN 284 N -5.28 2.73 -0.04 4.82 -0.21 -0.17 -0.37 119.66 121.15 3i27 s GLN 284 Ca 0.58 -0.83 0.04 0.00 0.02 0.00 0.00 55.36 55.17 3i27 s GLN 284 Cb -0.11 -2.30 -0.00 0.00 1.00 0.00 0.00 33.01 31.61 3i27 s GLN 284 CO 0.49 0.38 -0.15 0.00 -2.12 0.00 0.00 175.29 173.88 3i27 s ALA 285 N -0.13 1.35 -0.12 6.09 0.00 -0.56 -0.12 121.76 128.27 3i27 s ALA 285 Ca -0.03 -0.60 -0.04 0.00 0.00 0.00 0.00 51.96 51.29 3i27 s ALA 285 Cb -0.14 -0.46 -0.03 0.00 0.00 0.00 0.00 23.12 22.49 3i27 s ALA 285 CO 0.04 0.24 0.02 0.08 0.00 0.00 0.00 175.76 176.14 3i27 s VAL 286 N 0.08 4.48 0.03 0.00 1.01 0.10 -0.81 120.40 125.29 3i27 s VAL 286 Ca -0.04 -0.17 -0.37 0.00 0.00 0.00 0.00 61.98 61.41 3i27 s VAL 286 Cb -0.11 -2.93 -0.16 0.00 0.00 0.00 0.00 36.38 33.18 3i27 s VAL 286 CO 0.02 0.56 1.49 1.67 0.00 0.00 0.00 175.10 178.84 3i27 n GLN 287 N 2.63 1.42 -4.01 2.72 -0.06 -0.61 -4.59 117.38 114.87 3i27 n GLN 287 Ca -0.18 0.51 -0.31 0.00 -2.00 0.00 0.00 57.00 55.02 3i27 n GLN 287 Cb 0.53 -2.20 -0.15 0.00 -4.06 0.00 0.00 30.24 24.36 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 1.32 4.78 0.22 1.69 0.15 -1.26 -4.85 113.70 115.74 3i27 s SER 288 Ca 0.86 -2.13 0.00 0.00 0.70 0.00 0.00 55.95 55.38 3i27 s SER 288 Cb -0.90 -1.63 -0.04 0.00 -1.71 0.00 0.00 66.02 61.73 3i27 s SER 288 CO 0.48 -0.38 0.13 0.27 1.20 0.00 0.00 173.24 174.94 3i27 s ILE 289 N 0.91 0.15 0.48 6.45 -4.36 -1.26 -3.90 121.20 119.67 3i27 s ILE 289 Ca 0.10 -2.00 -0.02 0.00 -0.26 0.00 0.00 60.65 58.48 3i27 s ILE 289 Cb -0.19 -2.53 -0.01 0.00 1.25 0.00 0.00 42.46 40.98 3i27 s ILE 289 CO -0.08 0.00 0.73 0.26 0.24 0.00 0.00 174.94 176.09 3i27 s TRP 290 N -4.01 3.28 1.20 1.37 0.52 -1.26 -4.94 118.94 115.09 3i27 s TRP 290 Ca 0.39 0.39 -0.13 0.00 0.02 0.00 0.00 56.10 56.77 3i27 s TRP 290 Cb 0.07 -2.39 0.30 0.00 -1.15 0.00 0.00 33.47 30.30 3i27 s TRP 290 CO 0.13 -0.43 0.97 -1.13 0.02 0.00 0.00 176.95 176.51 3i27 n SER 291 N -2.20 -1.94 0.25 2.95 3.41 -1.26 -4.40 113.62 110.43 3i27 n SER 291 Ca 0.02 -0.22 0.17 0.00 -0.26 0.00 0.00 58.87 58.58 3i27 n SER 291 Cb 0.57 -1.23 0.80 0.00 -0.26 0.00 0.00 64.21 64.09 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 -2.76 0.00 0.00 4.33 5.08 -1.95 -2.72 114.58 116.56 3i27 h GLU 292 Ca -0.63 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.73 3i27 h GLU 292 Cb 1.34 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.59 3i27 h GLU 292 CO 0.49 0.00 0.00 0.00 -1.00 0.00 0.00 179.01 178.50 3i27 n GLN 293 N -2.82 0.02 -4.33 2.33 10.64 -1.26 -4.78 117.38 117.18 3i27 n GLN 293 Ca -0.00 0.07 -0.26 0.00 -1.83 0.00 0.00 57.00 54.98 3i27 n GLN 293 Cb 0.19 -1.52 -0.09 0.00 -0.86 0.00 0.00 30.24 27.95 3i27 n GLN 293 CO 0.00 0.00 0.00 0.71 -1.83 0.00 0.00 177.06 175.94 3i27 s TYR 294 N -3.01 2.56 -0.16 2.61 4.12 -1.03 -5.11 117.35 117.33 3i27 s TYR 294 Ca 0.12 -0.25 -0.29 0.00 0.02 0.00 0.00 57.07 56.67 3i27 s TYR 294 Cb 0.16 -1.23 -0.00 0.00 -1.52 0.00 0.00 41.96 39.37 3i27 s TYR 294 CO 0.47 0.54 1.08 0.00 0.02 0.00 0.00 175.55 177.66 3i27 s ALA 295 N -1.84 3.58 0.57 3.71 0.00 -1.26 -4.82 121.76 121.69 3i27 s ALA 295 Ca 0.25 0.33 0.06 0.00 0.00 0.00 0.00 51.96 52.61 3i27 s ALA 295 Cb -0.08 -3.52 0.06 0.00 0.00 0.00 0.00 23.12 19.58 3i27 s ALA 295 CO 0.15 -0.90 0.51 -1.12 0.00 0.00 0.00 175.76 174.39 3i27 s SER 296 N 1.31 4.71 0.32 0.00 0.01 -1.26 -2.27 113.70 116.51 3i27 s SER 296 Ca 0.48 -1.20 0.03 0.00 1.31 0.00 0.00 55.95 56.58 3i27 s SER 296 Cb -0.18 0.50 -0.04 0.00 0.21 0.00 0.00 66.02 66.52 3i27 s SER 296 CO 0.13 -1.22 0.16 1.51 0.41 0.00 0.00 173.24 174.23 3i27 s ASP 297 N -4.40 1.72 -0.33 2.44 -4.77 -1.26 -4.61 116.67 105.46 3i27 s ASP 297 Ca 0.39 -1.58 0.07 0.00 -3.30 0.00 0.00 52.55 48.14 3i27 s ASP 297 Cb -0.03 0.40 0.50 0.00 -1.09 0.00 0.00 42.92 42.70 3i27 s ASP 297 CO 0.25 -0.89 1.49 -0.67 0.70 0.00 0.00 175.17 176.05 3i27 n ASP 298 N -1.00 3.19 -0.25 2.11 2.03 -1.26 -4.76 116.55 116.60 3i27 n ASP 298 Ca 0.01 -3.79 -0.06 0.00 0.52 0.00 0.00 54.79 51.46 3i27 n ASP 298 Cb 0.65 -0.64 0.07 0.00 -0.72 0.00 0.00 41.12 40.48 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 1.22 1.00 -0.28 -1.67 0.00 -1.96 -0.18 119.26 117.38 3i27 h ALA 299 Ca 0.29 -0.23 -0.03 0.00 0.00 0.00 0.00 54.91 54.93 3i27 h ALA 299 Cb 1.63 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 19.13 3i27 h ALA 299 CO 0.56 0.66 0.06 0.82 0.00 0.00 0.00 179.25 181.34 3i27 h ILE 300 N 1.07 1.22 -0.64 0.00 1.08 -1.94 -0.01 117.51 118.29 3i27 h ILE 300 Ca 0.23 -0.75 -0.06 0.00 -0.39 0.00 0.00 64.86 63.89 3i27 h ILE 300 Cb 0.33 1.18 -0.03 0.00 -3.07 0.00 0.00 36.82 35.23 3i27 h ILE 300 CO -0.00 0.25 0.19 1.23 -0.69 0.00 0.00 178.15 179.12 3i27 h GLY 301 N 0.29 1.09 1.68 5.37 0.00 -1.85 0.15 103.07 109.80 3i27 h GLY 301 Ca 0.09 -0.66 -0.10 0.00 0.00 0.00 0.00 47.33 46.66 3i27 h GLY 301 CO 0.00 0.62 -0.31 1.46 0.00 0.00 0.00 176.54 178.31 3i27 h GLN 302 N 0.94 0.37 0.10 4.80 1.08 -0.89 -3.23 115.11 118.29 3i27 h GLN 302 Ca 0.21 -0.15 -0.26 0.00 -1.45 0.00 0.00 58.65 57.00 3i27 h GLN 302 Cb 0.32 -0.02 0.00 0.00 -0.05 0.00 0.00 27.48 27.73 3i27 h GLN 302 CO -0.00 0.65 -1.17 0.00 -0.95 0.00 0.00 178.83 177.36 3i27 h ALA 303 N 1.35 0.17 -1.78 3.87 0.00 -0.71 -3.42 119.26 118.73 3i27 h ALA 303 Ca 0.04 -0.86 -0.68 0.00 0.00 0.00 0.00 54.91 53.41 3i27 h ALA 303 Cb 0.71 -0.01 -0.17 0.00 0.00 0.00 0.00 17.79 18.32 3i27 h ALA 303 CO 0.05 0.98 1.00 0.00 0.00 0.00 0.00 179.25 181.28 3i27 s LYS 305 N 2.85 1.30 0.53 0.00 -0.14 -1.26 -4.41 119.74 118.63 3i27 s LYS 305 Ca 0.36 -1.33 -0.22 0.00 -1.36 0.00 0.00 55.97 53.42 3i27 s LYS 305 Cb -0.04 -1.60 -0.06 0.00 -1.68 0.00 0.00 37.83 34.45 3i27 s LYS 305 CO -0.08 0.36 1.35 0.00 -0.76 0.00 0.00 175.35 176.22 3i27 n ALA 306 N 0.73 1.58 0.98 5.17 0.00 -1.23 -1.68 120.51 126.05 3i27 n ALA 306 Ca -0.17 0.14 0.11 0.00 0.00 0.00 0.00 53.44 53.53 3i27 n ALA 306 Cb 0.55 -2.35 0.32 0.00 0.00 0.00 0.00 19.45 17.97 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 -0.87 1.97 -0.00 0.00 -0.04 -1.26 -4.88 135.00 129.93 3i27 n PRO 307 Ca 0.10 -1.46 0.09 0.00 -0.04 0.00 0.00 63.50 62.19 3i27 n PRO 307 Cb 0.44 -1.44 -0.11 0.00 -0.04 0.00 0.00 33.50 32.35 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 0.69 0.00 -3.77 0.54 0.18 -0.71 -4.74 117.16 109.35 3i27 n TYR 308 Ca 0.17 0.00 -0.13 0.00 1.88 0.00 0.00 57.90 59.82 3i27 n TYR 308 Cb 0.42 -0.08 -0.12 0.00 -0.38 0.00 0.00 39.34 39.19 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 0.38 5.20 -0.22 0.00 1.01 0.50 -3.56 121.20 124.51 3i27 s ILE 310 Ca -0.02 -0.46 -0.16 0.00 0.00 0.00 0.00 60.65 60.00 3i27 s ILE 310 Cb -0.04 -3.78 -0.04 0.00 0.01 0.00 0.00 42.46 38.62 3i27 s ILE 310 CO -0.02 -0.15 0.43 0.12 0.00 0.00 0.00 174.94 175.32 3i27 s PHE 311 N 1.69 3.35 -0.51 3.97 5.36 -1.26 -1.49 117.98 129.08 3i27 s PHE 311 Ca 0.05 0.62 -0.12 0.00 -0.96 0.00 0.00 56.93 56.52 3i27 s PHE 311 Cb -0.18 -2.58 0.13 0.00 -0.34 0.00 0.00 43.02 40.05 3i27 s PHE 311 CO 0.10 -0.08 0.42 0.71 -1.46 0.00 0.00 175.22 174.91 3i27 s TYR 312 N 1.57 3.36 0.53 10.12 2.02 0.01 -4.93 117.35 130.03 3i27 s TYR 312 Ca 0.20 -1.65 -0.12 0.00 -0.37 0.00 0.00 57.07 55.12 3i27 s TYR 312 Cb -0.15 -3.63 -0.06 0.00 -0.40 0.00 0.00 41.96 37.72 3i27 s TYR 312 CO 0.09 -1.00 0.94 1.21 -1.57 0.00 0.00 175.55 175.21 3i27 s ASN 313 N 3.02 6.44 0.15 2.29 3.84 -1.26 -1.57 114.94 127.83 3i27 s ASN 313 Ca 0.05 1.37 -0.25 0.00 0.21 0.00 0.00 52.86 54.25 3i27 s ASN 313 Cb -0.27 -2.43 -0.08 0.00 -0.55 0.00 0.00 41.25 37.92 3i27 s ASN 313 CO 0.01 -0.64 0.75 -0.54 -2.79 0.00 0.00 177.10 173.89 3i27 s LYS 314 N -4.46 4.53 0.00 0.43 1.02 -1.26 -4.89 119.74 115.11 3i27 s LYS 314 Ca 0.55 1.11 0.22 0.00 0.02 0.00 0.00 55.97 57.87 3i27 s LYS 314 Cb -0.10 -3.27 -0.01 0.00 -0.52 0.00 0.00 37.83 33.93 3i27 s LYS 314 CO 0.40 0.56 1.09 0.25 -0.92 0.00 0.00 175.35 176.72 3i27 n THR 315 N 1.70 0.00 -4.49 2.17 -2.24 -1.26 -4.97 114.28 105.19 3i27 n THR 315 Ca -0.06 -0.27 -0.24 0.00 -2.27 0.00 0.00 64.05 61.21 3i27 n THR 315 Cb 0.49 1.26 -0.10 0.00 -2.10 0.00 0.00 70.33 69.88 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 -2.46 2.14 0.91 4.28 -4.23 -1.26 -5.14 115.64 109.88 3i27 s THR 316 Ca 0.18 -2.23 -0.12 0.00 -1.18 0.00 0.00 61.69 58.34 3i27 s THR 316 Cb 0.18 -2.50 0.14 0.00 1.34 0.00 0.00 72.50 71.66 3i27 s THR 316 CO 0.57 -0.29 1.10 -2.84 -0.54 0.00 0.00 174.62 172.61 3i27 s PRO 317 N -3.61 1.14 -0.38 3.99 0.02 -1.26 -4.91 135.00 129.98 3i27 s PRO 317 Ca 0.31 0.70 -0.28 0.00 0.02 0.00 0.00 61.00 61.75 3i27 s PRO 317 Cb 0.01 -1.80 -0.03 0.00 0.02 0.00 0.00 34.50 32.70 3i27 s PRO 317 CO 0.15 -2.29 1.91 -0.47 -0.33 0.00 0.00 177.00 175.97 3i27 s TYR 318 N -2.98 1.64 -0.18 6.54 5.04 -1.26 -4.93 117.35 121.22 3i27 s TYR 318 Ca 0.64 0.72 -0.00 0.00 -2.44 0.00 0.00 57.07 55.98 3i27 s TYR 318 Cb -0.18 -4.05 0.04 0.00 0.35 0.00 0.00 41.96 38.13 3i27 s TYR 318 CO 0.57 -2.95 -0.06 0.99 -1.34 0.00 0.00 175.55 172.75 3i27 s THR 319 N 7.88 1.25 -0.22 4.34 2.01 -1.26 -4.49 115.64 125.15 3i27 s THR 319 Ca 0.82 -0.74 -0.06 0.00 0.31 0.00 0.00 61.69 62.01 3i27 s THR 319 Cb -0.22 -1.41 -0.02 0.00 0.01 0.00 0.00 72.50 70.86 3i27 s THR 319 CO 0.31 0.13 0.02 -0.69 -0.69 0.00 0.00 174.62 173.70 3i27 s VAL 320 N 1.57 4.01 -0.09 3.82 1.01 -1.26 -1.99 120.40 127.46 3i27 s VAL 320 Ca 0.00 -0.28 0.12 0.00 0.00 0.00 0.00 61.98 61.82 3i27 s VAL 320 Cb -0.16 -2.84 -0.17 0.00 0.00 0.00 0.00 36.38 33.21 3i27 s VAL 320 CO -0.08 0.39 0.12 0.35 0.00 0.00 0.00 175.10 175.88 3i27 n THR 321 N 4.62 0.61 -3.15 3.92 -2.24 -1.26 -4.84 114.28 111.93 3i27 n THR 321 Ca -0.17 -0.47 -0.22 0.00 -2.27 0.00 0.00 64.05 60.93 3i27 n THR 321 Cb 0.51 -0.42 -0.05 0.00 -2.10 0.00 0.00 70.33 68.27 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 -2.32 0.02 -2.64 3.42 5.15 -1.26 -5.11 115.26 112.51 3i27 n ASN 322 Ca -0.15 -2.79 -0.13 0.00 -0.60 0.00 0.00 54.58 50.91 3i27 n ASN 322 Cb 0.75 -0.43 -0.04 0.00 -0.53 0.00 0.00 39.78 39.53 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 1.25 2.65 0.14 8.20 0.00 -1.26 -4.93 105.19 111.24 3i27 n GLY 323 Ca 0.21 -1.67 0.04 0.00 0.00 0.00 0.00 46.02 44.59 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 1.57 0.00 -2.73 1.61 4.64 -1.41 -3.47 113.55 113.75 3i27 h SER 324 Ca -0.20 0.00 0.08 0.00 -0.47 0.00 0.00 61.79 61.20 3i27 h SER 324 Cb 0.93 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.01 3i27 h SER 324 CO 0.28 0.42 0.46 -0.90 -0.87 0.00 0.00 176.83 176.22 3i27 n ASP 325 N -3.08 -1.98 0.22 4.97 5.68 -1.25 -5.01 116.55 116.10 3i27 n ASP 325 Ca -0.01 -2.20 0.15 0.00 -0.50 0.00 0.00 54.79 52.23 3i27 n ASP 325 Cb 0.72 3.26 0.81 0.00 -1.14 0.00 0.00 41.12 44.77 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 2.00 1.00 -0.26 2.12 0.00 -1.93 -2.44 119.26 119.75 3i27 h ALA 326 Ca -0.30 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.61 3i27 h ALA 326 Cb 1.22 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.01 3i27 h ALA 326 CO 0.39 0.00 0.00 0.09 0.00 0.00 0.00 179.25 179.73 3i27 n ASN 327 N -2.54 3.02 -3.58 0.00 3.02 -1.26 -4.49 115.26 109.44 3i27 n ASN 327 Ca -0.02 -2.31 -0.22 0.00 -0.03 0.00 0.00 54.58 52.00 3i27 n ASN 327 Cb 0.05 -0.29 -0.15 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 -1.55 -0.03 0.00 3.10 3.76 -0.92 -4.93 115.29 114.73 3i27 s HIS 328 Ca 0.25 0.02 0.00 0.00 -0.15 0.00 0.00 55.06 55.18 3i27 s HIS 328 Cb 0.17 -0.51 0.00 0.00 1.11 0.00 0.00 32.58 33.35 3i27 s HIS 328 CO 0.11 -0.50 0.00 0.41 -0.85 0.00 0.00 174.74 173.91 3i27 n GLY 329 N 5.30 0.98 3.71 -2.22 0.00 -1.26 -2.96 105.19 108.75 3i27 n GLY 329 Ca -0.06 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.54 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 -1.13 6.75 0.18 1.61 3.68 -1.26 -4.39 116.67 122.11 3i27 s ASP 330 Ca 0.00 2.39 -0.11 0.00 2.13 0.00 0.00 52.55 56.96 3i27 s ASP 330 Cb 0.00 -2.58 0.08 0.00 -1.45 0.00 0.00 42.92 38.97 3i27 s ASP 330 CO 0.00 -0.72 1.71 0.44 0.13 0.00 0.00 175.17 176.73 3i27 h ASP 331 N 6.99 0.91 -0.11 -0.34 3.32 -1.78 -1.45 116.42 123.96 3i27 h ASP 331 Ca -0.42 -0.21 -0.02 0.00 0.02 0.00 0.00 57.03 56.40 3i27 h ASP 331 Cb 1.21 -0.24 -0.00 0.00 0.22 0.00 0.00 39.33 40.51 3i27 h ASP 331 CO 0.88 0.88 -0.00 -0.08 -1.72 0.00 0.00 179.24 179.20 3i27 h GLU 332 N 0.89 0.19 -0.76 3.56 4.81 -1.91 -2.50 114.58 118.86 3i27 h GLU 332 Ca 0.20 -0.06 -0.06 0.00 -0.13 0.00 0.00 59.36 59.31 3i27 h GLU 332 Cb 0.30 -0.02 -0.03 0.00 0.63 0.00 0.00 28.75 29.63 3i27 h GLU 332 CO -0.01 0.45 0.25 0.28 -0.73 0.00 0.00 179.01 179.26 3i27 h VAL 333 N -0.09 1.26 -0.92 0.32 2.07 -1.90 -0.36 116.25 116.63 3i27 h VAL 333 Ca 0.03 -0.89 0.06 0.00 0.82 0.00 0.00 66.70 66.72 3i27 h VAL 333 Cb 0.37 0.41 -0.06 0.00 -1.52 0.00 0.00 31.29 30.48 3i27 h VAL 333 CO 0.01 0.35 0.58 0.03 0.02 0.00 0.00 177.57 178.56 3i27 h ARG 334 N 1.12 1.03 -0.26 1.57 3.08 -1.20 0.18 114.38 119.90 3i27 h ARG 334 Ca 0.25 -0.06 -0.04 0.00 0.07 0.00 0.00 59.98 60.19 3i27 h ARG 334 Cb 0.29 -0.23 -0.01 0.00 0.08 0.00 0.00 29.97 30.10 3i27 h ARG 334 CO -0.01 0.68 0.00 1.98 -1.07 0.00 0.00 179.97 181.55 3i27 h MET 335 N 1.06 0.46 -0.68 0.04 4.05 -1.01 -2.73 114.93 116.11 3i27 h MET 335 Ca 0.40 -0.15 0.03 0.00 -0.28 0.00 0.00 59.70 59.71 3i27 h MET 335 Cb 0.17 -0.04 -0.04 0.00 -0.80 0.00 0.00 31.60 30.89 3i27 h MET 335 CO -0.17 0.62 0.42 0.52 0.23 0.00 0.00 176.91 178.53 3i27 h MET 336 N 0.24 0.79 0.00 0.39 2.86 -0.17 -2.83 114.93 116.21 3i27 h MET 336 Ca 0.07 -0.05 0.00 0.00 -2.06 0.00 0.00 59.70 57.67 3i27 h MET 336 Cb 0.41 -0.18 0.00 0.00 0.06 0.00 0.00 31.60 31.90 3i27 h MET 336 CO 0.01 0.52 0.00 0.52 1.06 0.00 0.00 176.91 179.03 3i27 h MET 337 N 0.82 0.00 -0.21 1.72 2.07 -0.57 -1.41 114.93 117.34 3i27 h MET 337 Ca 0.28 0.00 0.06 0.00 -2.07 0.00 0.00 59.70 57.97 3i27 h MET 337 Cb 0.04 0.00 -0.01 0.00 -1.87 0.00 0.00 31.60 29.76 3i27 h MET 337 CO -0.12 0.00 0.25 1.96 1.07 0.00 0.00 176.91 180.07 3i27 h GLN 338 N 0.00 0.00 -0.89 1.72 1.08 -1.22 -2.27 115.11 113.53 3i27 h GLN 338 Ca 0.00 0.00 0.19 0.00 -1.45 0.00 0.00 58.65 57.39 3i27 h GLN 338 Cb 0.38 0.00 -0.07 0.00 -0.05 0.00 0.00 27.48 27.74 3i27 h GLN 338 CO 0.00 0.00 0.58 0.78 -0.95 0.00 0.00 178.83 179.24 3i27 h GLY 339 N 0.00 0.97 2.00 3.46 0.00 -1.40 -1.67 103.07 106.43 3i27 h GLY 339 Ca 0.10 -0.22 0.00 0.00 0.00 0.00 0.00 47.33 47.21 3i27 h GLY 339 CO -0.00 0.01 0.00 1.04 0.00 0.00 0.00 176.54 177.59 3i27 n LEU 340 N -4.53 0.18 -0.27 3.11 4.77 -0.85 -1.00 117.00 118.40 3i27 n LEU 340 Ca 0.19 0.54 0.13 0.00 -0.03 0.00 0.00 56.01 56.83 3i27 n LEU 340 Cb 0.63 -0.51 0.32 0.00 -2.33 0.00 0.00 43.42 41.54 3i27 n LEU 340 CO 0.30 -0.29 0.60 0.18 -1.33 0.00 0.00 177.39 176.86 3i27 n LEU 341 N -1.69 1.14 -4.86 2.23 4.77 -0.63 -4.78 117.00 113.18 3i27 n LEU 341 Ca 0.04 -0.32 -0.31 0.00 -0.03 0.00 0.00 56.01 55.38 3i27 n LEU 341 Cb 0.21 -0.11 -0.04 0.00 -2.33 0.00 0.00 43.42 41.15 3i27 n LEU 341 CO 0.17 0.21 0.49 -0.13 -1.33 0.00 0.00 177.39 176.81 3i27 s ARG 342 N -2.51 3.90 -0.27 3.23 0.52 -0.17 -5.02 118.95 118.63 3i27 s ARG 342 Ca 0.23 0.65 -0.29 0.00 -0.52 0.00 0.00 55.73 55.81 3i27 s ARG 342 Cb 0.19 -2.34 -0.02 0.00 0.52 0.00 0.00 34.95 33.30 3i27 s ARG 342 CO 0.53 -0.03 1.66 1.21 0.02 0.00 0.00 175.30 178.70 3i27 s ASN 343 N -2.84 6.22 -0.00 0.23 2.47 -1.26 -4.77 114.94 114.99 3i27 s ASN 343 Ca 0.54 1.46 0.01 0.00 0.42 0.00 0.00 52.86 55.30 3i27 s ASN 343 Cb -0.10 -2.53 -0.00 0.00 -1.45 0.00 0.00 41.25 37.17 3i27 s ASN 343 CO 0.26 -1.42 -0.04 -0.44 -3.72 0.00 0.00 177.10 171.75 3i27 s SER 344 N 4.81 0.49 0.00 -4.21 0.01 -1.26 -3.28 113.70 110.26 3i27 s SER 344 Ca 0.74 -0.07 0.00 0.00 1.31 0.00 0.00 55.95 57.92 3i27 s SER 344 Cb -0.23 -0.06 0.00 0.00 0.21 0.00 0.00 66.02 65.94 3i27 s SER 344 CO 0.31 0.05 0.26 -1.20 0.41 0.00 0.00 173.24 173.07 3i27 n SER 345 N 3.00 0.52 -3.73 2.44 7.64 0.10 -4.25 113.62 119.34 3i27 n SER 345 Ca -0.13 -0.77 -0.14 0.00 1.01 0.00 0.00 58.87 58.84 3i27 n SER 345 Cb 0.58 0.37 -0.15 0.00 -1.01 0.00 0.00 64.21 64.00 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 1.38 1.84 0.31 0.00 -1.09 -0.58 -1.39 121.20 121.66 3i27 s ILE 347 Ca -0.07 -0.93 -0.19 0.00 -2.23 0.00 0.00 60.65 57.22 3i27 s ILE 347 Cb -0.12 -1.57 0.03 0.00 -1.58 0.00 0.00 42.46 39.22 3i27 s ILE 347 CO -0.06 0.51 0.74 -0.94 -1.23 0.00 0.00 174.94 173.97 3i27 s SER 348 N 0.03 -0.18 0.55 3.58 1.04 -1.02 -1.48 113.70 116.22 3i27 s SER 348 Ca -0.07 -0.77 0.34 0.00 0.48 0.00 0.00 55.95 55.93 3i27 s SER 348 Cb -0.14 0.77 1.38 0.00 0.10 0.00 0.00 66.02 68.13 3i27 s SER 348 CO 0.04 -1.45 1.99 -0.65 0.98 0.00 0.00 173.24 174.15 3i27 h PRO 349 N 2.00 0.00 0.00 4.02 0.11 -1.76 -1.08 132.00 135.28 3i27 h PRO 349 Ca -0.23 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.88 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 0.28 0.00 0.00 1.04 -0.21 0.00 0.00 178.00 179.11 3i27 n GLN 350 N -3.07 0.20 0.00 1.05 3.00 -1.26 -4.86 117.38 112.44 3i27 n GLN 350 Ca 0.01 0.17 0.00 0.00 -0.01 0.00 0.00 57.00 57.17 3i27 n GLN 350 Cb 0.30 -1.74 0.00 0.00 0.00 0.00 0.00 30.24 28.80 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 1.30 0.14 3.92 1.08 0.00 -0.41 -3.66 105.19 107.55 3i27 n GLY 351 Ca 0.06 -2.26 -0.31 0.00 0.00 0.00 0.00 46.02 43.50 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 6.37 0.08 1.61 1.04 -0.64 -2.43 113.70 115.72 3i27 s SER 352 Ca 0.00 0.29 0.04 0.00 0.48 0.00 0.00 55.95 56.76 3i27 s SER 352 Cb 0.00 -1.97 -0.03 0.00 0.10 0.00 0.00 66.02 64.12 3i27 s SER 352 CO 0.00 0.18 -0.11 0.42 0.98 0.00 0.00 173.24 174.71 3i27 s THR 353 N -1.49 0.94 1.14 2.02 -4.23 -0.49 -0.98 115.64 112.56 3i27 s THR 353 Ca 0.34 -1.41 -0.19 0.00 -1.18 0.00 0.00 61.69 59.25 3i27 s THR 353 Cb -0.13 -1.11 0.27 0.00 1.34 0.00 0.00 72.50 72.88 3i27 s THR 353 CO 0.27 -0.39 1.22 -2.16 -0.54 0.00 0.00 174.62 173.01 3i27 s PRO 354 N -2.16 -0.78 -0.00 3.99 0.04 -1.21 0.02 135.00 134.90 3i27 s PRO 354 Ca -0.00 -0.35 -0.30 0.00 0.04 0.00 0.00 61.00 60.38 3i27 s PRO 354 Cb -0.07 -1.67 -0.05 0.00 0.04 0.00 0.00 34.50 32.74 3i27 s PRO 354 CO 0.01 -3.37 1.37 -1.17 0.04 0.00 0.00 177.00 173.89 3i27 s LEU 355 N -6.58 4.31 -0.01 -3.56 2.96 -1.26 -4.52 118.68 110.02 3i27 s LEU 355 Ca 0.74 2.08 -0.28 0.00 -0.22 0.00 0.00 54.13 56.44 3i27 s LEU 355 Cb -0.05 -3.56 0.09 0.00 0.50 0.00 0.00 46.19 43.16 3i27 s LEU 355 CO 0.55 -0.70 0.75 0.00 -1.32 0.00 0.00 176.35 175.63 3i27 s ALA 356 N 2.35 -1.76 0.10 5.97 0.00 -1.26 -5.06 121.76 122.10 3i27 s ALA 356 Ca 0.63 1.11 -0.15 0.00 0.00 0.00 0.00 51.96 53.55 3i27 s ALA 356 Cb -0.31 0.16 -0.08 0.00 0.00 0.00 0.00 23.12 22.89 3i27 s ALA 356 CO 0.26 -0.51 1.44 -0.07 0.00 0.00 0.00 175.76 176.88 3i27 h LEU 357 N 2.52 0.75 -8.09 0.00 3.38 -1.93 -3.33 115.31 108.60 3i27 h LEU 357 Ca -0.26 -0.45 -0.44 0.00 0.09 0.00 0.00 57.88 56.81 3i27 h LEU 357 Cb 1.20 -0.21 -0.29 0.00 0.09 0.00 0.00 40.66 41.45 3i27 h LEU 357 CO 0.36 1.05 -0.80 -0.31 0.09 0.00 0.00 178.44 178.83 3i27 s TYR 358 N -4.43 1.04 -0.08 1.13 2.02 -1.26 -1.36 117.35 114.41 3i27 s TYR 358 Ca -0.12 -0.22 -0.02 0.00 -0.37 0.00 0.00 57.07 56.34 3i27 s TYR 358 Cb 0.09 -0.69 -0.04 0.00 -0.40 0.00 0.00 41.96 40.93 3i27 s TYR 358 CO 0.83 -0.04 0.04 0.45 -1.57 0.00 0.00 175.55 175.25 3i27 s SER 359 N -0.16 5.48 0.00 2.29 0.15 -0.34 -1.00 113.70 120.13 3i27 s SER 359 Ca 0.02 0.19 0.20 0.00 0.70 0.00 0.00 55.95 57.07 3i27 s SER 359 Cb -0.06 -1.59 0.85 0.00 -1.71 0.00 0.00 66.02 63.52 3i27 s SER 359 CO -0.00 0.37 1.64 0.35 1.20 0.00 0.00 173.24 176.79 3i27 n THR 360 N 1.96 0.63 -3.97 6.45 -2.24 0.37 -1.66 114.28 115.83 3i27 n THR 360 Ca -0.18 0.16 -0.08 0.00 -2.27 0.00 0.00 64.05 61.67 3i27 n THR 360 Cb 0.54 -0.81 -0.08 0.00 -2.10 0.00 0.00 70.33 67.87 3i27 n THR 360 CO 0.00 0.00 0.00 -1.83 -0.57 0.00 0.00 175.07 172.67 3i27 s GLU 361 N -3.00 0.84 0.30 -0.78 -1.05 -1.26 -4.89 118.70 108.85 3i27 s GLU 361 Ca 0.10 -1.11 -0.30 0.00 -0.15 0.00 0.00 54.97 53.51 3i27 s GLU 361 Cb 0.13 0.30 -0.11 0.00 -0.44 0.00 0.00 34.13 34.01 3i27 s GLU 361 CO 0.36 -0.25 1.60 -1.64 0.95 0.00 0.00 175.26 176.28 3i27 s MET 362 N -3.91 4.11 -0.20 -4.83 -1.94 -1.26 -4.74 119.30 106.54 3i27 s MET 362 Ca 0.09 2.59 -0.04 0.00 -1.71 0.00 0.00 55.69 56.62 3i27 s MET 362 Cb 0.06 -3.02 -0.02 0.00 2.01 0.00 0.00 34.83 33.86 3i27 s MET 362 CO -0.08 -0.64 -0.03 0.42 -0.01 0.00 0.00 175.02 174.69 3i27 s ILE 363 N -0.04 3.66 0.54 2.53 1.01 -1.26 -4.93 121.20 122.72 3i27 s ILE 363 Ca 0.63 -0.41 0.07 0.00 0.00 0.00 0.00 60.65 60.94 3i27 s ILE 363 Cb -0.48 -2.65 0.07 0.00 0.01 0.00 0.00 42.46 39.41 3i27 s ILE 363 CO 0.49 0.44 0.57 -1.22 0.00 0.00 0.00 174.94 175.22 3i27 n TYR 364 N 4.34 -1.42 -3.53 3.97 4.01 -1.26 -5.07 117.16 118.19 3i27 n TYR 364 Ca -0.18 -2.14 -0.29 0.00 -0.16 0.00 0.00 57.90 55.14 3i27 n TYR 364 Cb 0.52 -0.48 -0.03 0.00 -0.31 0.00 0.00 39.34 39.03 3i27 n TYR 364 CO 0.00 0.00 0.00 -1.21 -0.46 0.00 0.00 176.86 175.19 3i27 s GLU 365 N -4.34 3.59 0.37 -0.72 0.41 -1.26 -4.22 118.70 112.54 3i27 s GLU 365 Ca 0.44 -0.14 -0.23 0.00 -0.41 0.00 0.00 54.97 54.63 3i27 s GLU 365 Cb -0.03 -2.75 -0.10 0.00 -1.78 0.00 0.00 34.13 29.46 3i27 s GLU 365 CO 0.28 0.33 0.93 -1.25 -0.49 0.00 0.00 175.26 175.05 3i27 s PRO 366 N -3.31 4.36 0.06 0.39 0.05 -1.26 -4.82 135.00 130.47 3i27 s PRO 366 Ca 0.41 1.17 -0.03 0.00 0.05 0.00 0.00 61.00 62.60 3i27 s PRO 366 Cb -0.11 -2.47 -0.03 0.00 0.05 0.00 0.00 34.50 31.95 3i27 s PRO 366 CO 0.28 0.12 0.03 0.54 0.05 0.00 0.00 177.00 178.03 3i27 s ASN 367 N -1.94 0.38 0.19 6.66 2.20 -1.26 -3.89 114.94 117.27 3i27 s ASN 367 Ca 0.56 -0.88 -0.11 0.00 -0.94 0.00 0.00 52.86 51.49 3i27 s ASN 367 Cb -0.13 0.24 -0.00 0.00 -2.00 0.00 0.00 41.25 39.35 3i27 s ASN 367 CO 0.18 -0.63 0.37 -0.72 -2.94 0.00 0.00 177.10 173.36 3i27 s TYR 368 N -3.83 0.32 0.00 1.54 -0.85 -0.55 -4.99 117.35 109.00 3i27 s TYR 368 Ca 0.06 -0.67 0.00 0.00 -0.52 0.00 0.00 57.07 55.93 3i27 s TYR 368 Cb 0.07 0.07 0.00 0.00 0.38 0.00 0.00 41.96 42.47 3i27 s TYR 368 CO -0.10 -0.81 0.00 0.41 -1.52 0.00 0.00 175.55 173.53 3i27 n GLY 369 N -0.28 -1.01 3.28 5.49 0.00 -1.26 -1.52 105.19 109.90 3i27 n GLY 369 Ca -0.06 -1.84 -0.36 0.00 0.00 0.00 0.00 46.02 43.76 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 4.72 -0.05 1.61 0.15 -0.34 -4.96 113.70 110.82 3i27 s SER 370 Ca 0.00 -0.73 0.00 0.00 0.70 0.00 0.00 55.95 55.92 3i27 s SER 370 Cb 0.00 -1.78 -0.03 0.00 -1.71 0.00 0.00 66.02 62.50 3i27 s SER 370 CO 0.00 -0.14 -0.03 0.00 1.20 0.00 0.00 173.24 174.27 3i27 s PRO 372 N -1.12 2.95 0.11 0.00 0.02 -1.25 -5.00 135.00 130.71 3i27 s PRO 372 Ca 0.15 1.44 -0.03 0.00 0.02 0.00 0.00 61.00 62.58 3i27 s PRO 372 Cb -0.11 -1.97 -0.05 0.00 0.02 0.00 0.00 34.50 32.39 3i27 s PRO 372 CO 0.05 -1.14 0.32 -0.65 -0.33 0.00 0.00 177.00 175.25 3i27 s GLN 373 N -3.89 3.55 0.05 5.54 -0.21 -0.47 -4.54 119.66 119.69 3i27 s GLN 373 Ca 0.68 -0.21 -0.32 0.00 0.02 0.00 0.00 55.36 55.53 3i27 s GLN 373 Cb -0.21 -2.92 -0.11 0.00 1.00 0.00 0.00 33.01 30.77 3i27 s GLN 373 CO 0.38 0.52 1.85 0.34 -2.12 0.00 0.00 175.29 176.26 3i27 n PHE 374 N 0.19 2.47 -0.13 0.91 -0.00 -1.26 -1.19 117.46 118.45 3i27 n PHE 374 Ca -0.04 -0.11 0.11 0.00 -0.00 0.00 0.00 57.45 57.42 3i27 n PHE 374 Cb 0.51 -2.71 0.46 0.00 -0.00 0.00 0.00 39.48 37.75 3i27 n PHE 374 CO 0.00 0.00 0.00 0.10 -0.00 0.00 0.00 176.76 176.86 3i27 h TYR 375 N 8.85 0.54 0.00 -5.13 -0.00 -1.66 -1.91 116.97 117.65 3i27 h TYR 375 Ca -0.48 0.01 -0.08 0.00 -0.00 0.00 0.00 58.73 58.19 3i27 h TYR 375 Cb 1.24 -0.17 -0.01 0.00 -0.00 0.00 0.00 36.73 37.79 3i27 h TYR 375 CO 0.83 0.25 -0.38 0.87 -0.00 0.00 0.00 178.16 179.73 3i27 h LYS 376 N 0.50 0.00 -0.20 0.10 1.57 -1.89 -2.38 116.57 114.27 3i27 h LYS 376 Ca 0.31 0.00 0.06 0.00 -1.87 0.00 0.00 60.65 59.14 3i27 h LYS 376 Cb 0.52 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.83 3i27 h LYS 376 CO -0.10 0.38 0.17 -0.07 -0.57 0.00 0.00 179.45 179.26 3i27 h LEU 377 N 0.00 0.00 -2.53 2.94 3.38 -1.73 -2.48 115.31 114.89 3i27 h LEU 377 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3i27 h LEU 377 Cb 0.70 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.45 3i27 h LEU 377 CO 0.05 0.00 0.00 0.49 0.09 0.00 0.00 178.44 179.07 3i27 n PHE 378 N -4.22 0.75 -2.09 1.13 3.01 -0.90 -4.97 117.46 110.17 3i27 n PHE 378 Ca 0.02 -0.37 -0.42 0.00 1.01 0.00 0.00 57.45 57.69 3i27 n PHE 378 Cb 0.30 0.00 -0.03 0.00 -0.01 0.00 0.00 39.48 39.74 3i27 n PHE 378 CO 0.00 0.00 0.00 0.34 1.01 0.00 0.00 176.76 178.11 3i27 s ASP 379 N -1.25 6.74 -0.05 4.37 2.15 -0.94 -4.93 116.67 122.77 3i27 s ASP 379 Ca 0.44 2.53 0.11 0.00 0.43 0.00 0.00 52.55 56.06 3i27 s ASP 379 Cb 0.24 -2.61 0.33 0.00 -0.30 0.00 0.00 42.92 40.58 3i27 s ASP 379 CO 0.33 -0.66 1.26 0.35 -0.17 0.00 0.00 175.17 176.28 3i27 n THR 380 N 2.92 1.35 0.33 1.71 -2.24 -1.26 -4.68 114.28 112.41 3i27 n THR 380 Ca 0.08 -1.26 0.12 0.00 -2.27 0.00 0.00 64.05 60.72 3i27 n THR 380 Cb 0.41 0.29 0.23 0.00 -2.10 0.00 0.00 70.33 69.16 3i27 n THR 380 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 3i27 h SER 381 N 1.67 0.00 0.00 3.42 4.64 -1.99 -3.46 113.55 117.83 3i27 h SER 381 Ca 0.00 -0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3i27 h SER 381 Cb 0.89 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.98 3i27 h SER 381 CO 0.05 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.63 3i27 n GLY 382 N 1.16 0.92 0.10 -0.77 0.00 -1.26 -4.95 105.19 100.38 3i27 n GLY 382 Ca 0.04 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.04 3i27 n GLY 382 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 3i27 h ASN 383 N 0.00 0.00 -0.03 1.61 2.35 -1.93 -3.55 115.58 114.03 3i27 h ASN 383 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 3i27 h ASN 383 Cb 0.00 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.37 3i27 h ASN 383 CO 0.00 0.73 0.00 -0.62 -1.65 0.00 0.00 177.43 175.89