#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3epk n LYS 14 N 0.00 2.02 -2.70 4.33 4.01 -1.26 -4.80 118.16 119.76 3epk n LYS 14 Ca 0.00 0.63 -0.33 0.00 -0.51 0.00 0.00 58.31 58.10 3epk n LYS 14 Cb 0.00 -3.00 -0.06 0.00 -0.51 0.00 0.00 35.03 31.46 3epk n LYS 14 CO 0.00 0.00 0.00 0.15 -1.11 0.00 0.00 177.40 176.44 3epk s LYS 15 N 5.71 4.11 -0.17 1.97 -0.14 -1.26 -2.36 119.74 127.59 3epk s LYS 15 Ca 0.99 1.02 -0.05 0.00 -1.36 0.00 0.00 55.97 56.57 3epk s LYS 15 Cb -0.48 -2.19 0.08 0.00 -1.68 0.00 0.00 37.83 33.57 3epk s LYS 15 CO 0.41 -0.10 0.32 0.08 -0.76 0.00 0.00 175.35 175.30 3epk s VAL 16 N -2.32 -0.50 -0.00 3.17 1.01 -0.55 -4.48 120.40 116.72 3epk s VAL 16 Ca 0.60 0.17 -0.08 0.00 0.00 0.00 0.00 61.98 62.67 3epk s VAL 16 Cb -0.09 -0.58 -0.05 0.00 0.00 0.00 0.00 36.38 35.66 3epk s VAL 16 CO 0.20 0.04 0.28 -0.63 0.00 0.00 0.00 175.10 174.99 3epk s ILE 17 N 2.49 5.28 -0.07 2.22 1.01 -0.92 -1.78 121.20 129.43 3epk s ILE 17 Ca 0.02 0.27 -0.00 0.00 0.00 0.00 0.00 60.65 60.94 3epk s ILE 17 Cb -0.13 -3.57 0.02 0.00 0.01 0.00 0.00 42.46 38.80 3epk s ILE 17 CO -0.11 0.41 -0.04 0.54 0.00 0.00 0.00 174.94 175.75 3epk s VAL 18 N -1.25 0.61 -0.31 2.92 0.11 -0.37 -2.00 120.40 120.11 3epk s VAL 18 Ca 0.26 -0.08 -0.10 0.00 -2.93 0.00 0.00 61.98 59.14 3epk s VAL 18 Cb -0.13 -0.68 -0.01 0.00 -1.53 0.00 0.00 36.38 34.03 3epk s VAL 18 CO 0.14 0.28 0.16 -0.63 -3.33 0.00 0.00 175.10 171.72 3epk s ILE 19 N 1.50 4.67 0.35 7.04 1.01 -0.86 -0.46 121.20 134.44 3epk s ILE 19 Ca -0.01 -0.36 0.09 0.00 0.00 0.00 0.00 60.65 60.36 3epk s ILE 19 Cb -0.13 -3.36 -0.05 0.00 0.01 0.00 0.00 42.46 38.92 3epk s ILE 19 CO -0.04 0.09 0.05 0.00 0.00 0.00 0.00 174.94 175.03 3epk s ALA 20 N 1.63 3.28 0.00 9.38 0.00 0.19 -3.73 121.76 132.50 3epk s ALA 20 Ca 0.05 -1.95 0.00 0.00 0.00 0.00 0.00 51.96 50.05 3epk s ALA 20 Cb -0.17 -0.42 0.00 0.00 0.00 0.00 0.00 23.12 22.53 3epk s ALA 20 CO 0.07 0.04 0.00 0.41 0.00 0.00 0.00 175.76 176.28 3epk n GLY 21 N -1.01 2.75 3.70 0.00 0.00 -1.26 -0.98 105.19 108.40 3epk n GLY 21 Ca -0.04 -1.13 -0.29 0.00 0.00 0.00 0.00 46.02 44.56 3epk n GLY 21 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3epk s THR 22 N -2.00 2.40 0.17 2.61 -4.23 -1.26 -4.68 115.64 108.65 3epk s THR 22 Ca 0.00 0.13 -0.31 0.00 -1.18 0.00 0.00 61.69 60.33 3epk s THR 22 Cb 0.00 -2.63 -0.09 0.00 1.34 0.00 0.00 72.50 71.12 3epk s THR 22 CO 0.00 -0.17 1.46 0.28 -0.54 0.00 0.00 174.62 175.65 3epk s THR 23 N -2.95 2.90 0.00 3.99 -1.32 -1.26 -3.50 115.64 113.49 3epk s THR 23 Ca 0.64 0.67 0.00 0.00 -1.21 0.00 0.00 61.69 61.80 3epk s THR 23 Cb -0.18 -3.43 0.00 0.00 -1.51 0.00 0.00 72.50 67.38 3epk s THR 23 CO 0.57 0.07 0.00 0.61 -2.21 0.00 0.00 174.62 173.66 3epk n GLY 24 N 3.27 0.83 0.00 6.08 0.00 -1.26 -4.96 105.19 109.14 3epk n GLY 24 Ca 0.11 -0.63 0.06 0.00 0.00 0.00 0.00 46.02 45.56 3epk n GLY 24 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3epk n VAL 25 N -2.91 0.00 -0.10 1.61 0.24 -1.23 -4.94 118.33 111.01 3epk n VAL 25 Ca 0.00 -0.23 0.00 0.00 -2.04 0.00 0.00 64.34 62.07 3epk n VAL 25 Cb 0.37 0.99 0.00 0.00 -1.47 0.00 0.00 33.84 33.73 3epk n VAL 25 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3epk n GLY 26 N 1.28 1.68 0.23 7.63 0.00 -1.26 -4.97 105.19 109.78 3epk n GLY 26 Ca 0.02 -0.05 -0.13 0.00 0.00 0.00 0.00 46.02 45.86 3epk n GLY 26 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3epk h LYS 27 N 0.00 -0.37 -0.39 1.61 1.57 -1.94 -1.60 116.57 115.45 3epk h LYS 27 Ca 0.00 0.03 0.03 0.00 -1.87 0.00 0.00 60.65 58.83 3epk h LYS 27 Cb 0.04 0.08 -0.03 0.00 0.08 0.00 0.00 32.23 32.41 3epk h LYS 27 CO 0.00 -0.25 0.20 0.77 -0.57 0.00 0.00 179.45 179.60 3epk h SER 28 N -0.39 0.30 -0.85 0.86 0.02 -1.96 0.23 113.55 111.76 3epk h SER 28 Ca 0.01 0.02 0.06 0.00 -0.84 0.00 0.00 61.79 61.04 3epk h SER 28 Cb 0.38 -0.04 -0.05 0.00 0.14 0.00 0.00 62.40 62.82 3epk h SER 28 CO -0.07 0.22 0.55 -0.61 -1.14 0.00 0.00 176.83 175.78 3epk h GLN 29 N 0.40 0.93 -0.14 3.45 4.15 -1.91 -1.07 115.11 120.93 3epk h GLN 29 Ca 0.16 -0.06 -0.20 0.00 0.77 0.00 0.00 58.65 59.33 3epk h GLN 29 Cb 0.06 -0.21 0.01 0.00 0.21 0.00 0.00 27.48 27.55 3epk h GLN 29 CO -0.11 0.62 -0.68 1.25 -1.93 0.00 0.00 178.83 177.98 3epk h LEU 30 N 0.96 0.84 -1.29 -2.39 5.85 -0.56 -3.12 115.31 115.60 3epk h LEU 30 Ca 0.36 -0.63 0.16 0.00 0.84 0.00 0.00 57.88 58.61 3epk h LEU 30 Cb 0.19 -0.25 -0.07 0.00 0.37 0.00 0.00 40.66 40.89 3epk h LEU 30 CO -0.13 1.34 0.59 0.77 -0.34 0.00 0.00 178.44 180.67 3epk h SER 31 N 0.40 0.63 0.30 1.25 4.64 0.66 -1.42 113.55 120.00 3epk h SER 31 Ca -0.05 0.05 -0.01 0.00 -0.47 0.00 0.00 61.79 61.31 3epk h SER 31 Cb 1.32 -0.07 0.00 0.00 -0.31 0.00 0.00 62.40 63.34 3epk h SER 31 CO 0.14 0.29 -0.14 0.40 -0.87 0.00 0.00 176.83 176.65 3epk h ILE 32 N 0.65 0.70 -0.45 0.95 1.08 -1.34 -0.76 117.51 118.34 3epk h ILE 32 Ca 0.47 -0.64 0.09 0.00 -0.39 0.00 0.00 64.86 64.39 3epk h ILE 32 Cb 0.83 1.02 -0.10 0.00 -3.07 0.00 0.00 36.82 35.50 3epk h ILE 32 CO -0.22 0.12 -0.27 1.56 -0.69 0.00 0.00 178.15 178.65 3epk h GLN 33 N -0.77 -0.17 -0.76 2.37 4.20 -1.30 0.78 115.11 119.47 3epk h GLN 33 Ca -0.04 0.01 -0.03 0.00 0.06 0.00 0.00 58.65 58.65 3epk h GLN 33 Cb 0.50 0.04 -0.04 0.00 0.30 0.00 0.00 27.48 28.29 3epk h GLN 33 CO 0.07 -0.11 0.35 -0.07 -0.67 0.00 0.00 178.83 178.40 3epk h LEU 34 N -0.17 0.98 -0.41 1.46 3.38 -1.32 -1.69 115.31 117.54 3epk h LEU 34 Ca 0.20 -0.12 0.04 0.00 0.09 0.00 0.00 57.88 58.10 3epk h LEU 34 Cb 0.50 -0.25 -0.04 0.00 0.09 0.00 0.00 40.66 40.96 3epk h LEU 34 CO -0.55 0.84 0.17 0.00 0.09 0.00 0.00 178.44 178.99 3epk h ALA 35 N 1.31 0.49 0.10 1.53 0.00 0.64 -0.31 119.26 123.03 3epk h ALA 35 Ca 0.26 0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.20 3epk h ALA 35 Cb 0.12 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.89 3epk h ALA 35 CO -0.03 -0.20 -0.05 1.96 0.00 0.00 0.00 179.25 180.93 3epk h GLN 36 N 0.36 -0.13 -0.98 0.00 4.20 -0.85 0.36 115.11 118.07 3epk h GLN 36 Ca 0.18 0.01 0.34 0.00 0.06 0.00 0.00 58.65 59.24 3epk h GLN 36 Cb 0.13 0.03 -0.17 0.00 0.30 0.00 0.00 27.48 27.77 3epk h GLN 36 CO -0.16 -0.09 0.40 -0.22 -0.67 0.00 0.00 178.83 178.10 3epk h LYS 37 N -0.17 0.10 -0.28 1.46 1.63 -1.32 -1.82 116.57 116.18 3epk h LYS 37 Ca -0.01 -0.01 0.00 0.00 -0.85 0.00 0.00 60.65 59.78 3epk h LYS 37 Cb 0.11 -0.02 0.00 0.00 -0.60 0.00 0.00 32.23 31.71 3epk h LYS 37 CO 0.02 0.07 0.00 1.19 -3.45 0.00 0.00 179.45 177.28 3epk n PHE 38 N -5.26 0.65 -3.02 1.91 3.72 -0.13 -5.03 117.46 110.30 3epk n PHE 38 Ca 0.31 -0.69 -0.16 0.00 -0.05 0.00 0.00 57.45 56.87 3epk n PHE 38 Cb 1.03 -0.16 0.02 0.00 -0.94 0.00 0.00 39.48 39.42 3epk n PHE 38 CO 0.00 0.00 0.00 -1.71 -0.05 0.00 0.00 176.76 175.00 3epk n ASN 39 N -0.07 -7.32 -3.62 4.37 5.15 0.10 -4.66 115.26 109.20 3epk n ASN 39 Ca 0.16 0.40 -0.13 0.00 -0.60 0.00 0.00 54.58 54.40 3epk n ASN 39 Cb 0.64 -4.39 -0.06 0.00 -0.53 0.00 0.00 39.78 35.44 3epk n ASN 39 CO 0.00 0.00 0.00 -0.83 1.40 0.00 0.00 177.26 177.83 3epk s GLY 40 N -2.25 1.26 0.03 8.20 0.00 0.10 -2.27 107.32 112.39 3epk s GLY 40 Ca 0.27 -1.40 0.06 0.00 0.00 0.00 0.00 44.72 43.65 3epk s GLY 40 CO 0.79 -0.99 -0.17 -0.54 0.00 0.00 0.00 173.10 172.19 3epk s GLU 41 N -3.53 1.16 0.22 2.90 2.02 -1.13 -4.69 118.70 115.65 3epk s GLU 41 Ca 0.30 -0.78 -0.28 0.00 0.02 0.00 0.00 54.97 54.24 3epk s GLU 41 Cb 0.01 -1.19 -0.09 0.00 0.10 0.00 0.00 34.13 32.96 3epk s GLU 41 CO 0.16 0.31 0.88 0.08 0.02 0.00 0.00 175.26 176.70 3epk s VAL 42 N -0.73 4.20 -0.36 2.63 1.01 -0.32 -1.00 120.40 125.82 3epk s VAL 42 Ca 0.05 1.91 0.02 0.00 0.00 0.00 0.00 61.98 63.95 3epk s VAL 42 Cb -0.08 -4.23 0.11 0.00 0.00 0.00 0.00 36.38 32.19 3epk s VAL 42 CO 0.01 0.47 0.13 -0.63 0.00 0.00 0.00 175.10 175.08 3epk s ILE 43 N -1.21 1.53 0.40 2.22 1.01 -0.65 -0.55 121.20 123.95 3epk s ILE 43 Ca 0.40 -2.07 -0.26 0.00 0.00 0.00 0.00 60.65 58.71 3epk s ILE 43 Cb -0.24 -2.12 -0.10 0.00 0.01 0.00 0.00 42.46 40.00 3epk s ILE 43 CO 0.29 -0.71 1.30 -3.20 0.00 0.00 0.00 174.94 172.62 3epk n ASN 44 N 4.26 2.73 -2.31 3.58 2.85 -0.87 -1.60 115.26 123.90 3epk n ASN 44 Ca 0.03 1.14 -0.08 0.00 -0.11 0.00 0.00 54.58 55.56 3epk n ASN 44 Cb 0.40 -1.51 0.05 0.00 1.24 0.00 0.00 39.78 39.95 3epk n ASN 44 CO 0.00 0.00 0.00 -1.54 -2.11 0.00 0.00 177.26 173.61 3epk n SER 45 N 0.31 2.69 -4.29 1.20 3.41 0.20 -4.78 113.62 112.37 3epk n SER 45 Ca 0.06 -2.73 -0.40 0.00 -0.26 0.00 0.00 58.87 55.54 3epk n SER 45 Cb 0.39 -0.42 -0.10 0.00 -0.26 0.00 0.00 64.21 63.82 3epk n SER 45 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3epk s ASP 46 N -3.55 5.66 0.64 4.04 -1.08 -1.26 -3.08 116.67 118.04 3epk s ASP 46 Ca 0.37 -1.42 0.13 0.00 -0.52 0.00 0.00 52.55 51.11 3epk s ASP 46 Cb 0.36 -1.99 0.55 0.00 -1.46 0.00 0.00 42.92 40.38 3epk s ASP 46 CO -0.03 -0.51 1.26 -1.28 0.52 0.00 0.00 175.17 175.13 3epk h SER 47 N 8.42 0.00 0.00 -0.34 0.87 -1.95 -0.56 113.55 119.98 3epk h SER 47 Ca -0.23 0.00 -0.28 0.00 -1.23 0.00 0.00 61.79 60.04 3epk h SER 47 Cb 1.09 0.00 -0.05 0.00 -0.44 0.00 0.00 62.40 62.99 3epk h SER 47 CO 0.74 0.00 -2.07 0.23 -0.53 0.00 0.00 176.83 175.20 3epk n MET 48 N -2.83 1.21 0.00 2.24 2.81 -1.26 -4.41 117.12 114.89 3epk n MET 48 Ca 0.07 0.03 0.06 0.00 -1.81 0.00 0.00 57.70 56.04 3epk n MET 48 Cb 1.05 -1.39 0.32 0.00 -0.71 0.00 0.00 33.22 32.49 3epk n MET 48 CO 0.00 0.00 0.00 1.04 1.51 0.00 0.00 175.97 178.52 3epk n GLN 49 N -2.71 0.30 0.00 0.03 6.02 -0.23 -2.20 117.38 118.60 3epk n GLN 49 Ca -0.28 0.05 0.14 0.00 -0.01 0.00 0.00 57.00 56.91 3epk n GLN 49 Cb 0.96 -1.50 0.64 0.00 1.02 0.00 0.00 30.24 31.36 3epk n GLN 49 CO 0.00 0.00 0.00 1.33 -1.01 0.00 0.00 177.06 177.38 3epk n VAL 50 N -1.08 0.00 -3.65 5.09 0.24 -1.17 -0.53 118.33 117.23 3epk n VAL 50 Ca 0.08 -0.10 -0.32 0.00 -2.04 0.00 0.00 64.34 61.95 3epk n VAL 50 Cb 0.05 0.02 -0.05 0.00 -1.47 0.00 0.00 33.84 32.39 3epk n VAL 50 CO 0.00 0.00 0.00 -0.31 -2.14 0.00 0.00 176.83 174.38 3epk s TYR 51 N -2.26 3.49 0.37 6.34 1.51 -0.93 -0.53 117.35 125.34 3epk s TYR 51 Ca 0.35 0.61 -0.25 0.00 -1.01 0.00 0.00 57.07 56.77 3epk s TYR 51 Cb 0.21 -2.04 -0.12 0.00 -0.11 0.00 0.00 41.96 39.89 3epk s TYR 51 CO 0.42 0.44 0.95 1.63 -1.11 0.00 0.00 175.55 177.89 3epk n LYS 52 N 0.25 1.26 0.00 -0.62 4.76 0.80 -4.35 118.16 120.25 3epk n LYS 52 Ca -0.03 0.45 0.00 0.00 -2.87 0.00 0.00 58.31 55.85 3epk n LYS 52 Cb 0.52 -1.90 0.00 0.00 -1.84 0.00 0.00 35.03 31.81 3epk n LYS 52 CO 0.00 0.00 0.00 -0.25 -1.37 0.00 0.00 177.40 175.78 3epk n ASP 53 N 0.87 0.00 -4.13 4.39 8.00 -1.26 -4.85 116.55 119.57 3epk n ASP 53 Ca 0.10 0.00 -0.42 0.00 0.71 0.00 0.00 54.79 55.18 3epk n ASP 53 Cb 0.36 0.00 -0.01 0.00 -0.02 0.00 0.00 41.12 41.45 3epk n ASP 53 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3epk n ILE 54 N 0.00 -2.10 -0.05 0.53 3.06 -1.26 -4.91 119.36 114.63 3epk n ILE 54 Ca 0.00 -0.55 -0.10 0.00 -2.50 0.00 0.00 62.75 59.60 3epk n ILE 54 Cb 0.00 -1.83 -0.09 0.00 0.54 0.00 0.00 39.64 38.26 3epk n ILE 54 CO 0.00 0.00 0.00 1.55 -2.50 0.00 0.00 176.55 175.60 3epk h PRO 55 N -2.29 -0.02 -0.49 9.51 0.13 -1.93 -3.21 132.00 133.71 3epk h PRO 55 Ca -0.68 0.00 0.05 0.00 -0.87 0.00 0.00 66.00 64.50 3epk h PRO 55 Cb 1.36 0.01 -0.08 0.00 0.13 0.00 0.00 31.00 32.42 3epk h PRO 55 CO 0.55 0.67 -0.46 0.82 -0.23 0.00 0.00 178.00 179.35 3epk h ILE 56 N -0.96 0.00 -0.12 -3.56 5.03 -1.92 0.60 117.51 116.58 3epk h ILE 56 Ca -0.00 0.00 -0.16 0.00 -0.12 0.00 0.00 64.86 64.58 3epk h ILE 56 Cb 0.70 0.00 -0.01 0.00 -3.03 0.00 0.00 36.82 34.48 3epk h ILE 56 CO 0.00 0.00 -0.59 0.16 -0.68 0.00 0.00 178.15 177.04 3epk h ILE 57 N -0.22 1.35 0.00 -0.67 3.07 -1.90 -2.16 117.51 116.98 3epk h ILE 57 Ca 0.08 -1.90 0.00 0.00 1.55 0.00 0.00 64.86 64.59 3epk h ILE 57 Cb 0.43 1.90 0.00 0.00 -0.27 0.00 0.00 36.82 38.89 3epk h ILE 57 CO -0.57 0.58 0.00 1.07 -1.05 0.00 0.00 178.15 178.17 3epk n THR 58 N -3.91 0.00 -3.70 0.16 5.66 -1.02 -4.92 114.28 106.55 3epk n THR 58 Ca -0.03 0.00 -0.30 0.00 -3.05 0.00 0.00 64.05 60.67 3epk n THR 58 Cb 0.62 -0.46 0.01 0.00 -1.55 0.00 0.00 70.33 68.95 3epk n THR 58 CO 0.00 0.00 0.00 -3.20 -3.05 0.00 0.00 175.07 168.82 3epk n ASN 59 N -0.95 -5.04 -4.92 1.09 5.15 0.21 -4.70 115.26 106.10 3epk n ASN 59 Ca 0.21 -0.70 -0.26 0.00 -0.60 0.00 0.00 54.58 53.23 3epk n ASN 59 Cb 0.10 -1.62 -0.01 0.00 -0.53 0.00 0.00 39.78 37.72 3epk n ASN 59 CO 0.00 0.00 0.00 -0.54 1.40 0.00 0.00 177.26 178.12 3epk s LYS 60 N -4.11 3.53 -0.22 1.20 1.02 -0.99 -5.03 119.74 115.14 3epk s LYS 60 Ca 0.13 -0.07 -0.26 0.00 0.02 0.00 0.00 55.97 55.79 3epk s LYS 60 Cb -0.01 -2.54 -0.00 0.00 -0.52 0.00 0.00 37.83 34.75 3epk s LYS 60 CO 0.89 0.02 0.90 -1.58 -0.92 0.00 0.00 175.35 174.66 3epk s HIS 61 N -2.45 3.35 0.35 3.18 5.65 -1.26 -4.95 115.29 119.15 3epk s HIS 61 Ca 0.44 1.27 -0.28 0.00 0.25 0.00 0.00 55.06 56.74 3epk s HIS 61 Cb -0.10 -3.11 -0.12 0.00 -1.18 0.00 0.00 32.58 28.07 3epk s HIS 61 CO 0.39 -0.39 1.29 -0.35 -0.65 0.00 0.00 174.74 175.02 3epk n PRO 62 N 5.93 2.11 -0.21 2.88 -0.04 -1.26 -4.91 135.00 139.50 3epk n PRO 62 Ca 0.07 0.74 -0.00 0.00 -0.04 0.00 0.00 63.50 64.27 3epk n PRO 62 Cb 0.47 -2.34 0.11 0.00 -0.04 0.00 0.00 33.50 31.71 3epk n PRO 62 CO 0.00 0.00 0.00 -0.07 -0.04 0.00 0.00 175.50 175.39 3epk h LEU 63 N 2.49 0.30 0.00 1.53 4.07 -2.00 -0.18 115.31 121.53 3epk h LEU 63 Ca -0.46 0.07 0.00 0.00 0.08 0.00 0.00 57.88 57.57 3epk h LEU 63 Cb 1.28 0.03 0.00 0.00 1.08 0.00 0.00 40.66 43.05 3epk h LEU 63 CO 0.62 0.18 0.00 0.00 -1.08 0.00 0.00 178.44 178.16 3epk n GLN 64 N -4.95 0.08 -0.32 1.13 10.64 -1.26 -1.09 117.38 121.61 3epk n GLN 64 Ca 0.09 0.00 0.01 0.00 -1.83 0.00 0.00 57.00 55.27 3epk n GLN 64 Cb 0.26 -1.11 0.02 0.00 -0.86 0.00 0.00 30.24 28.55 3epk n GLN 64 CO 0.00 0.00 0.00 0.39 -1.83 0.00 0.00 177.06 175.62 3epk n GLU 65 N -0.61 0.32 -0.10 2.61 1.02 -0.08 -4.74 120.64 119.05 3epk n GLU 65 Ca 0.00 -1.14 0.07 0.00 -0.02 0.00 0.00 57.16 56.07 3epk n GLU 65 Cb 0.00 -0.66 0.12 0.00 -0.02 0.00 0.00 31.44 30.88 3epk n GLU 65 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 3epk n ARG 66 N -0.22 1.80 -1.97 3.49 1.74 -0.25 -4.92 116.66 116.32 3epk n ARG 66 Ca 0.02 -1.71 -0.08 0.00 -0.77 0.00 0.00 57.85 55.31 3epk n ARG 66 Cb 0.63 -1.29 -0.02 0.00 -1.02 0.00 0.00 32.46 30.76 3epk n ARG 66 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 3epk n GLU 67 N 0.75 -1.96 -0.97 5.56 -0.58 -1.26 0.12 120.64 122.30 3epk n GLU 67 Ca 0.11 0.44 0.00 0.00 -0.42 0.00 0.00 57.16 57.28 3epk n GLU 67 Cb 0.40 -4.84 0.00 0.00 -0.57 0.00 0.00 31.44 26.43 3epk n GLU 67 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3epk n GLY 68 N -0.48 0.89 3.67 0.62 0.00 -1.26 -4.97 105.19 103.66 3epk n GLY 68 Ca -0.09 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.51 3epk n GLY 68 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3epk s ILE 69 N -3.64 3.05 0.44 -0.61 -1.09 0.33 -4.93 121.20 114.75 3epk s ILE 69 Ca 0.00 0.30 -0.25 0.00 -2.23 0.00 0.00 60.65 58.47 3epk s ILE 69 Cb 0.00 -3.19 -0.09 0.00 -1.58 0.00 0.00 42.46 37.59 3epk s ILE 69 CO 0.00 -0.01 1.26 -2.65 -1.23 0.00 0.00 174.94 172.30 3epk n PRO 70 N 6.58 1.86 -4.85 2.79 -0.02 -1.26 -4.81 135.00 135.28 3epk n PRO 70 Ca 0.18 0.66 -0.25 0.00 -2.02 0.00 0.00 63.50 62.07 3epk n PRO 70 Cb 0.41 -2.38 -0.15 0.00 -0.02 0.00 0.00 33.50 31.35 3epk n PRO 70 CO 0.00 0.00 0.00 -1.01 1.98 0.00 0.00 175.50 176.47 3epk s HIS 71 N -1.22 1.61 0.32 6.00 3.76 -1.26 -1.18 115.29 123.32 3epk s HIS 71 Ca 0.62 -0.32 0.08 0.00 -0.15 0.00 0.00 55.06 55.29 3epk s HIS 71 Cb -0.50 -1.04 -0.06 0.00 1.11 0.00 0.00 32.58 32.09 3epk s HIS 71 CO 0.57 -0.04 -0.06 -1.01 -0.85 0.00 0.00 174.74 173.34 3epk s HIS 72 N -0.37 2.20 -1.32 1.40 3.76 0.28 -4.81 115.29 116.44 3epk s HIS 72 Ca 0.06 -0.62 -0.15 0.00 -0.15 0.00 0.00 55.06 54.20 3epk s HIS 72 Cb -0.07 -1.29 0.01 0.00 1.11 0.00 0.00 32.58 32.33 3epk s HIS 72 CO -0.00 0.42 0.50 0.28 -0.85 0.00 0.00 174.74 175.08 3epk n VAL 73 N -0.71 -3.24 -3.66 -0.90 0.31 -1.26 -2.06 118.33 106.80 3epk n VAL 73 Ca -0.05 -0.64 -0.08 0.00 -0.01 0.00 0.00 64.34 63.56 3epk n VAL 73 Cb 0.64 -2.64 -0.09 0.00 -0.91 0.00 0.00 33.84 30.85 3epk n VAL 73 CO 0.00 0.00 0.00 -0.32 -1.32 0.00 0.00 176.83 175.19 3epk s MET 74 N -6.83 0.54 -0.96 5.55 0.00 -1.26 -4.29 119.30 112.05 3epk s MET 74 Ca 0.25 1.05 -0.08 0.00 0.00 0.00 0.00 55.69 56.92 3epk s MET 74 Cb -0.12 0.14 -0.03 0.00 0.00 0.00 0.00 34.83 34.83 3epk s MET 74 CO 0.93 -0.16 0.79 -1.71 0.00 0.00 0.00 175.02 174.86 3epk n ASN 75 N 4.45 -6.45 0.00 1.11 2.85 0.31 -4.92 115.26 112.60 3epk n ASN 75 Ca -0.20 -0.63 0.00 0.00 -0.11 0.00 0.00 54.58 53.64 3epk n ASN 75 Cb 0.56 -4.38 0.00 0.00 1.24 0.00 0.00 39.78 37.20 3epk n ASN 75 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 3epk n HIS 76 N -3.02 0.00 -4.03 1.20 1.44 -0.80 -4.74 115.22 105.28 3epk n HIS 76 Ca -0.08 0.00 -0.36 0.00 -2.01 0.00 0.00 57.72 55.27 3epk n HIS 76 Cb 0.58 0.01 -0.08 0.00 0.12 0.00 0.00 29.99 30.63 3epk n HIS 76 CO 0.00 0.00 0.00 0.08 -2.81 0.00 0.00 176.34 173.61 3epk s VAL 77 N 0.00 5.02 0.20 0.61 1.01 0.30 -4.88 120.40 122.66 3epk s VAL 77 Ca 0.00 0.03 -0.25 0.00 0.00 0.00 0.00 61.98 61.77 3epk s VAL 77 Cb 0.00 -3.20 -0.08 0.00 0.00 0.00 0.00 36.38 33.10 3epk s VAL 77 CO 0.00 0.56 0.79 -0.62 0.00 0.00 0.00 175.10 175.84 3epk s ASP 78 N -0.55 7.33 0.23 3.32 2.15 -1.26 -0.14 116.67 127.75 3epk s ASP 78 Ca 0.11 1.64 0.10 0.00 0.43 0.00 0.00 52.55 54.83 3epk s ASP 78 Cb -0.12 -2.50 0.52 0.00 -0.30 0.00 0.00 42.92 40.53 3epk s ASP 78 CO 0.02 0.14 1.17 0.79 -0.17 0.00 0.00 175.17 177.12 3epk n TRP 79 N 1.31 0.33 0.20 -5.34 7.02 -1.26 -0.31 117.44 119.38 3epk n TRP 79 Ca -0.04 0.17 0.09 0.00 -1.02 0.00 0.00 57.50 56.70 3epk n TRP 79 Cb 0.49 -0.58 0.14 0.00 -2.42 0.00 0.00 31.31 28.94 3epk n TRP 79 CO 0.00 0.00 0.00 0.66 -2.02 0.00 0.00 177.69 176.33 3epk h SER 80 N 0.00 0.00 -2.00 -0.99 4.64 -2.04 -3.45 113.55 109.70 3epk h SER 80 Ca 0.00 0.00 -0.53 0.00 -0.47 0.00 0.00 61.79 60.79 3epk h SER 80 Cb 0.53 0.00 -0.07 0.00 -0.31 0.00 0.00 62.40 62.55 3epk h SER 80 CO 0.00 0.16 -0.55 -1.83 -0.87 0.00 0.00 176.83 173.75 3epk s GLU 81 N -3.14 2.51 -0.23 4.77 -1.05 0.58 -5.12 118.70 117.02 3epk s GLU 81 Ca 0.06 -1.39 -0.03 0.00 -0.15 0.00 0.00 54.97 53.46 3epk s GLU 81 Cb 0.06 -2.29 0.01 0.00 -0.44 0.00 0.00 34.13 31.47 3epk s GLU 81 CO 0.69 0.22 -0.06 -1.21 0.95 0.00 0.00 175.26 175.85 3epk s GLU 82 N -3.83 3.14 0.80 -4.83 2.02 -1.26 -4.75 118.70 109.99 3epk s GLU 82 Ca 0.36 -0.78 -0.11 0.00 0.02 0.00 0.00 54.97 54.46 3epk s GLU 82 Cb -0.05 -2.96 0.07 0.00 0.10 0.00 0.00 34.13 31.29 3epk s GLU 82 CO 0.23 -0.28 1.09 -0.47 0.02 0.00 0.00 175.26 175.85 3epk s TYR 83 N 1.41 2.75 0.09 1.61 5.04 -1.26 -5.01 117.35 121.99 3epk s TYR 83 Ca 0.04 1.21 -0.26 0.00 -2.44 0.00 0.00 57.07 55.62 3epk s TYR 83 Cb -0.15 -3.10 0.09 0.00 0.35 0.00 0.00 41.96 39.15 3epk s TYR 83 CO -0.05 -1.83 1.13 1.52 -1.34 0.00 0.00 175.55 174.98 3epk s TYR 84 N -3.10 -0.00 0.00 4.97 -0.85 -1.26 -4.90 117.35 112.21 3epk s TYR 84 Ca 0.61 -0.25 0.00 0.00 -0.52 0.00 0.00 57.07 56.91 3epk s TYR 84 Cb -0.15 0.62 0.00 0.00 0.38 0.00 0.00 41.96 42.81 3epk s TYR 84 CO 0.55 -0.62 0.87 0.43 -1.52 0.00 0.00 175.55 175.25 3epk n SER 85 N -0.87 0.00 0.18 -0.18 7.64 -1.26 -1.32 113.62 117.81 3epk n SER 85 Ca -0.04 0.87 0.18 0.00 1.01 0.00 0.00 58.87 60.89 3epk n SER 85 Cb 0.60 -0.37 0.81 0.00 -1.01 0.00 0.00 64.21 64.24 3epk n SER 85 CO 0.00 0.00 0.00 0.45 -3.01 0.00 0.00 175.04 172.48 3epk h HIS 86 N 0.00 0.00 0.00 1.43 3.86 -1.98 0.76 115.15 119.21 3epk h HIS 86 Ca 0.00 0.00 -0.12 0.00 -1.16 0.00 0.00 60.37 59.09 3epk h HIS 86 Cb 0.00 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 28.45 3epk h HIS 86 CO -0.69 0.00 -0.57 -0.09 0.86 0.00 0.00 177.93 177.43 3epk h ARG 87 N 0.00 0.00 0.17 2.45 9.65 -1.64 -2.84 114.38 122.18 3epk h ARG 87 Ca 0.12 0.00 -0.33 0.00 -1.10 0.00 0.00 59.98 58.67 3epk h ARG 87 Cb 0.73 0.00 0.01 0.00 -1.39 0.00 0.00 29.97 29.31 3epk h ARG 87 CO -0.00 0.57 -1.63 0.35 2.80 0.00 0.00 179.97 182.07 3epk h PHE 88 N 0.00 0.65 -0.58 2.20 3.57 0.17 -3.09 116.94 119.86 3epk h PHE 88 Ca -0.01 -0.48 0.01 0.00 3.53 0.00 0.00 57.97 61.03 3epk h PHE 88 Cb 1.10 -0.03 -0.03 0.00 2.79 0.00 0.00 35.95 39.78 3epk h PHE 88 CO 0.00 1.54 0.38 1.49 -2.23 0.00 0.00 178.31 179.49 3epk h GLU 89 N 0.10 0.74 -0.11 1.11 4.81 -0.63 0.73 114.58 121.33 3epk h GLU 89 Ca -0.29 -0.04 -0.08 0.00 -0.13 0.00 0.00 59.36 58.82 3epk h GLU 89 Cb 2.08 -0.17 0.00 0.00 0.63 0.00 0.00 28.75 31.29 3epk h GLU 89 CO 0.19 0.49 -0.24 1.79 -0.73 0.00 0.00 179.01 180.51 3epk h THR 90 N 0.76 1.39 -0.28 0.32 1.35 -1.65 -1.76 112.91 113.03 3epk h THR 90 Ca 0.22 -1.53 -0.04 0.00 -0.55 0.00 0.00 66.41 64.51 3epk h THR 90 Cb -0.06 2.11 -0.01 0.00 -1.73 0.00 0.00 68.15 68.46 3epk h THR 90 CO -0.06 0.44 0.04 -0.33 -0.25 0.00 0.00 175.52 175.36 3epk h GLU 91 N -0.09 0.48 -0.00 4.72 5.08 -1.44 -1.90 114.58 121.44 3epk h GLU 91 Ca 0.00 -0.13 -0.00 0.00 -1.00 0.00 0.00 59.36 58.23 3epk h GLU 91 Cb 0.83 -0.05 -0.00 0.00 0.50 0.00 0.00 28.75 30.03 3epk h GLU 91 CO 0.05 0.60 0.00 0.00 -1.00 0.00 0.00 179.01 178.66 3epk h MET 93 N -0.05 0.71 -0.76 0.00 4.05 -1.32 -0.61 114.93 116.95 3epk h MET 93 Ca 0.00 -0.04 0.06 0.00 -0.28 0.00 0.00 59.70 59.44 3epk h MET 93 Cb 0.05 -0.16 -0.06 0.00 -0.80 0.00 0.00 31.60 30.63 3epk h MET 93 CO -0.00 0.47 0.45 -0.91 0.23 0.00 0.00 176.91 177.15 3epk h ASN 94 N 0.73 0.68 -0.34 1.39 2.35 -1.21 0.17 115.58 119.35 3epk h ASN 94 Ca 0.23 0.03 -0.02 0.00 -0.55 0.00 0.00 56.30 55.99 3epk h ASN 94 Cb -0.00 -0.11 -0.02 0.00 0.05 0.00 0.00 38.32 38.24 3epk h ASN 94 CO -0.09 0.44 0.13 0.00 -1.65 0.00 0.00 177.43 176.26 3epk h ALA 95 N 1.38 0.45 0.28 -0.83 0.00 -0.87 0.16 119.26 119.83 3epk h ALA 95 Ca 0.34 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 55.12 3epk h ALA 95 Cb 0.19 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.82 3epk h ALA 95 CO -0.18 0.06 -0.36 0.82 0.00 0.00 0.00 179.25 179.59 3epk h ILE 96 N 0.41 0.27 -0.28 0.00 1.08 -0.35 0.31 117.51 118.95 3epk h ILE 96 Ca 0.11 0.00 0.04 0.00 -0.39 0.00 0.00 64.86 64.62 3epk h ILE 96 Cb 0.20 0.27 -0.07 0.00 -3.07 0.00 0.00 36.82 34.15 3epk h ILE 96 CO -0.01 0.00 -0.51 -0.33 -0.69 0.00 0.00 178.15 176.61 3epk h GLU 97 N -0.69 -0.42 0.26 2.37 4.39 -0.48 -0.62 114.58 119.39 3epk h GLU 97 Ca -0.01 0.03 -0.00 0.00 0.34 0.00 0.00 59.36 59.72 3epk h GLU 97 Cb 0.65 0.10 -0.03 0.00 -0.10 0.00 0.00 28.75 29.37 3epk h GLU 97 CO -0.11 -0.28 -0.42 0.22 -1.16 0.00 0.00 179.01 177.26 3epk h ASP 98 N -0.44 -1.20 -1.05 1.42 3.58 -0.76 -1.20 116.42 116.77 3epk h ASP 98 Ca 0.05 0.11 0.28 0.00 0.42 0.00 0.00 57.03 57.89 3epk h ASP 98 Cb 0.59 0.42 -0.09 0.00 1.72 0.00 0.00 39.33 41.97 3epk h ASP 98 CO -0.49 -0.50 0.69 0.40 -2.88 0.00 0.00 179.24 176.46 3epk h ILE 99 N -0.71 0.51 0.33 2.25 2.04 -0.12 -1.66 117.51 120.15 3epk h ILE 99 Ca -0.03 -0.11 -0.02 0.00 1.00 0.00 0.00 64.86 65.70 3epk h ILE 99 Cb 0.66 0.15 0.00 0.00 -0.74 0.00 0.00 36.82 36.90 3epk h ILE 99 CO -0.14 0.06 -0.16 0.45 0.00 0.00 0.00 178.15 178.36 3epk h HIS 100 N 0.33 -0.41 0.00 1.37 3.86 -0.61 -1.66 115.15 118.02 3epk h HIS 100 Ca 0.58 -0.01 0.00 0.00 -1.16 0.00 0.00 60.37 59.78 3epk h HIS 100 Cb 1.61 0.14 0.00 0.00 1.06 0.00 0.00 27.41 30.21 3epk h HIS 100 CO -0.00 -0.07 0.00 2.89 0.86 0.00 0.00 177.93 181.61 3epk n ARG 101 N -5.11 0.40 0.00 2.45 1.85 -0.50 -0.79 116.66 114.96 3epk n ARG 101 Ca -0.09 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.76 3epk n ARG 101 Cb 0.27 -1.30 0.00 0.00 -1.05 0.00 0.00 32.46 30.38 3epk n ARG 101 CO 0.00 0.00 0.00 0.54 -0.01 0.00 0.00 177.63 178.16 3epk n ARG 102 N 1.00 0.00 -0.99 2.89 1.74 -1.18 -4.99 116.66 115.12 3epk n ARG 102 Ca 0.00 -0.27 0.00 0.00 -0.77 0.00 0.00 57.85 56.81 3epk n ARG 102 Cb 0.20 -0.42 0.00 0.00 -1.02 0.00 0.00 32.46 31.22 3epk n ARG 102 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3epk n GLY 103 N 0.00 0.95 3.96 -0.13 0.00 0.03 -5.02 105.19 104.97 3epk n GLY 103 Ca 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.80 3epk n GLY 103 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3epk s LYS 104 N -0.01 2.99 -0.21 1.61 3.01 -0.63 -5.02 119.74 121.48 3epk s LYS 104 Ca 0.00 -0.55 0.01 0.00 -1.01 0.00 0.00 55.97 54.41 3epk s LYS 104 Cb 0.00 -2.56 0.03 0.00 -1.01 0.00 0.00 37.83 34.29 3epk s LYS 104 CO 0.00 -0.32 -0.14 -1.50 0.51 0.00 0.00 175.35 173.90 3epk s ILE 105 N -2.57 2.31 0.56 2.17 2.07 -0.96 -3.94 121.20 120.84 3epk s ILE 105 Ca 0.49 -1.09 -0.21 0.00 -1.41 0.00 0.00 60.65 58.43 3epk s ILE 105 Cb -0.10 -2.11 -0.04 0.00 0.13 0.00 0.00 42.46 40.34 3epk s ILE 105 CO 0.38 0.34 1.35 -2.84 -1.91 0.00 0.00 174.94 172.25 3epk s PRO 106 N 1.26 3.04 -0.36 3.50 0.02 -1.26 -2.82 135.00 138.39 3epk s PRO 106 Ca 0.01 2.20 0.00 0.00 0.02 0.00 0.00 61.00 63.23 3epk s PRO 106 Cb -0.15 -2.19 0.14 0.00 0.02 0.00 0.00 34.50 32.32 3epk s PRO 106 CO -0.09 -1.25 0.21 0.42 -0.33 0.00 0.00 177.00 175.96 3epk s ILE 107 N -1.32 0.23 -0.13 2.83 1.01 -0.17 -2.16 121.20 121.48 3epk s ILE 107 Ca 0.73 -1.76 -0.29 0.00 0.00 0.00 0.00 60.65 59.33 3epk s ILE 107 Cb -0.40 -1.18 -0.02 0.00 0.01 0.00 0.00 42.46 40.88 3epk s ILE 107 CO 0.46 -0.98 1.23 0.54 0.00 0.00 0.00 174.94 176.19 3epk s VAL 108 N 1.04 4.29 -0.07 2.92 0.11 -0.85 -1.64 120.40 126.20 3epk s VAL 108 Ca 0.18 1.58 0.02 0.00 -2.93 0.00 0.00 61.98 60.83 3epk s VAL 108 Cb -0.23 -4.02 0.01 0.00 -1.53 0.00 0.00 36.38 30.61 3epk s VAL 108 CO 0.01 -0.09 -0.13 -0.69 -3.33 0.00 0.00 175.10 170.86 3epk s VAL 109 N 3.03 1.22 0.00 2.04 1.01 -0.63 -2.02 120.40 125.05 3epk s VAL 109 Ca 0.55 -0.52 0.00 0.00 0.00 0.00 0.00 61.98 62.00 3epk s VAL 109 Cb -0.22 -1.11 0.00 0.00 0.00 0.00 0.00 36.38 35.05 3epk s VAL 109 CO 0.17 0.37 0.00 0.61 0.00 0.00 0.00 175.10 176.25 3epk n GLY 110 N 3.82 0.61 0.29 4.51 0.00 -1.24 -0.63 105.19 112.55 3epk n GLY 110 Ca -0.22 -0.76 0.11 0.00 0.00 0.00 0.00 46.02 45.14 3epk n GLY 110 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3epk n GLY 111 N -0.08 -0.42 2.68 -0.02 0.00 -1.26 -4.54 105.19 101.55 3epk n GLY 111 Ca 0.00 -0.59 -0.41 0.00 0.00 0.00 0.00 46.02 45.02 3epk n GLY 111 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3epk n THR 112 N -0.62 4.28 0.23 2.61 -1.04 -1.18 -4.75 114.28 113.81 3epk n THR 112 Ca 0.08 -3.76 0.15 0.00 -2.04 0.00 0.00 64.05 58.48 3epk n THR 112 Cb 0.41 -2.41 0.65 0.00 -1.82 0.00 0.00 70.33 67.16 3epk n THR 112 CO 0.00 0.00 0.00 0.45 -0.64 0.00 0.00 175.07 174.88 3epk h HIS 113 N 5.49 0.00 -0.08 -1.42 -0.00 -1.84 -1.46 115.15 115.84 3epk h HIS 113 Ca 0.57 0.00 0.04 0.00 -0.00 0.00 0.00 60.37 60.97 3epk h HIS 113 Cb 0.52 0.00 -0.04 0.00 -0.00 0.00 0.00 27.41 27.89 3epk h HIS 113 CO 1.46 0.00 -0.16 -0.92 -0.00 0.00 0.00 177.93 178.32 3epk h TYR 114 N 0.00 -0.41 -0.83 2.45 3.20 -1.94 -2.30 116.97 117.14 3epk h TYR 114 Ca 0.09 0.02 0.18 0.00 3.14 0.00 0.00 58.73 62.16 3epk h TYR 114 Cb 1.15 0.19 -0.06 0.00 1.54 0.00 0.00 36.73 39.56 3epk h TYR 114 CO 0.00 -0.23 0.56 1.88 -1.64 0.00 0.00 178.16 178.73 3epk h TYR 115 N -0.22 0.46 -1.08 -3.82 0.05 -1.61 -1.34 116.97 109.41 3epk h TYR 115 Ca 0.08 0.01 0.31 0.00 0.05 0.00 0.00 58.73 59.19 3epk h TYR 115 Cb 0.33 -0.14 -0.04 0.00 1.01 0.00 0.00 36.73 37.89 3epk h TYR 115 CO -0.25 0.15 0.96 -0.07 -1.05 0.00 0.00 178.16 177.89 3epk h LEU 116 N 0.37 0.00 -1.81 3.88 4.07 -1.55 0.28 115.31 120.55 3epk h LEU 116 Ca 0.42 0.00 0.12 0.00 0.08 0.00 0.00 57.88 58.50 3epk h LEU 116 Cb 1.07 0.00 -0.02 0.00 1.08 0.00 0.00 40.66 42.79 3epk h LEU 116 CO -0.14 0.00 0.54 1.56 -1.08 0.00 0.00 178.44 179.32 3epk h GLN 117 N 0.00 0.00 0.00 1.13 4.20 -1.39 0.79 115.11 119.84 3epk h GLN 117 Ca 0.51 0.00 -0.03 0.00 0.06 0.00 0.00 58.65 59.20 3epk h GLN 117 Cb 2.42 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 30.20 3epk h GLN 117 CO -0.01 0.00 -0.12 0.00 -0.67 0.00 0.00 178.83 178.03 3epk h THR 118 N 0.00 0.68 0.00 -0.54 1.03 -1.18 -1.41 112.91 111.49 3epk h THR 118 Ca 0.19 -0.50 0.00 0.00 -0.01 0.00 0.00 66.41 66.09 3epk h THR 118 Cb 1.27 1.31 0.00 0.00 -1.07 0.00 0.00 68.15 69.66 3epk h THR 118 CO -0.00 0.12 0.00 0.18 -0.01 0.00 0.00 175.52 175.81 3epk n LEU 119 N -3.81 0.06 -2.97 0.00 4.77 0.28 -3.51 117.00 111.81 3epk n LEU 119 Ca -0.02 0.52 -0.14 0.00 -0.03 0.00 0.00 56.01 56.34 3epk n LEU 119 Cb 0.22 -0.51 0.02 0.00 -2.33 0.00 0.00 43.42 40.83 3epk n LEU 119 CO 0.31 -0.30 -0.00 2.22 -1.33 0.00 0.00 177.39 178.29 3epk n PHE 120 N -1.57 -0.86 -2.95 -1.77 1.16 -0.56 -2.45 117.46 108.46 3epk n PHE 120 Ca 0.03 -3.10 -0.08 0.00 -1.87 0.00 0.00 57.45 52.44 3epk n PHE 120 Cb 0.16 0.35 0.00 0.00 -1.61 0.00 0.00 39.48 38.38 3epk n PHE 120 CO 0.00 0.00 0.00 0.09 -1.87 0.00 0.00 176.76 174.98 3epk n ASN 121 N 0.23 -1.31 -3.23 5.98 4.13 -1.19 -4.12 115.26 115.76 3epk n ASN 121 Ca 0.16 -0.28 -0.27 0.00 1.68 0.00 0.00 54.58 55.87 3epk n ASN 121 Cb 0.70 -0.44 -0.06 0.00 -1.54 0.00 0.00 39.78 38.43 3epk n ASN 121 CO 0.00 0.00 0.00 1.17 0.28 0.00 0.00 177.26 178.71 3epk n LYS 122 N -1.19 2.77 -3.85 3.52 3.00 -1.01 -3.88 118.16 117.53 3epk n LYS 122 Ca -0.09 -4.72 -0.05 0.00 -0.00 0.00 0.00 58.31 53.46 3epk n LYS 122 Cb 0.19 -2.23 0.01 0.00 0.00 0.00 0.00 35.03 33.00 3epk n LYS 122 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.40 176.42 3epk s ARG 123 N -2.85 1.52 -0.10 1.64 1.04 -1.26 -4.80 118.95 114.14 3epk s ARG 123 Ca 0.43 -0.96 0.01 0.00 -1.04 0.00 0.00 55.73 54.17 3epk s ARG 123 Cb 0.20 0.44 0.02 0.00 -2.04 0.00 0.00 34.95 33.57 3epk s ARG 123 CO -0.06 -0.71 -0.12 0.08 -0.04 0.00 0.00 175.30 174.45 3epk s VAL 124 N -2.40 1.26 -0.76 4.99 1.01 -1.26 -5.09 120.40 118.15 3epk s VAL 124 Ca 0.19 -0.48 -0.24 0.00 0.00 0.00 0.00 61.98 61.45 3epk s VAL 124 Cb -0.03 -1.19 0.06 0.00 0.00 0.00 0.00 36.38 35.22 3epk s VAL 124 CO 0.06 0.40 1.14 -0.62 0.00 0.00 0.00 175.10 176.08 3epk s ASP 125 N 1.21 6.26 0.00 3.32 -1.08 -1.26 -4.81 116.67 120.31 3epk s ASP 125 Ca -0.03 -0.99 0.24 0.00 -0.52 0.00 0.00 52.55 51.25 3epk s ASP 125 Cb -0.14 -2.48 0.31 0.00 -1.46 0.00 0.00 42.92 39.15 3epk s ASP 125 CO -0.04 -1.54 1.32 0.35 0.52 0.00 0.00 175.17 175.78 3epk n THR 126 N 6.14 0.00 -0.03 1.71 -2.24 -1.26 -4.28 114.28 114.32 3epk n THR 126 Ca 0.06 -0.41 -0.00 0.00 -2.27 0.00 0.00 64.05 61.43 3epk n THR 126 Cb 0.48 1.26 -0.00 0.00 -2.10 0.00 0.00 70.33 69.97 3epk n THR 126 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 3epk h LYS 127 N 3.82 0.00 -0.34 -0.78 1.57 -1.98 -3.34 116.57 115.52 3epk h LYS 127 Ca 0.00 0.00 0.10 0.00 -1.87 0.00 0.00 60.65 58.88 3epk h LYS 127 Cb 0.86 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.16 3epk h LYS 127 CO 0.00 0.00 0.38 0.66 -0.57 0.00 0.00 179.45 179.92 3epk h SER 128 N -0.63 0.00 -2.63 0.86 4.64 -2.00 -3.05 113.55 110.75 3epk h SER 128 Ca 0.00 0.00 -0.79 0.00 -0.47 0.00 0.00 61.79 60.53 3epk h SER 128 Cb 0.02 0.00 -0.24 0.00 -0.31 0.00 0.00 62.40 61.86 3epk h SER 128 CO 0.00 0.00 1.05 -1.20 -0.87 0.00 0.00 176.83 175.81 3epk n SER 129 N -3.70 5.89 -4.75 4.97 7.64 -1.25 -5.03 113.62 117.38 3epk n SER 129 Ca 0.05 -3.25 -0.35 0.00 1.01 0.00 0.00 58.87 56.34 3epk n SER 129 Cb 0.54 -1.36 0.05 0.00 -1.01 0.00 0.00 64.21 62.42 3epk n SER 129 CO 0.00 0.00 0.00 -1.83 -3.01 0.00 0.00 175.04 170.20 3epk s GLU 130 N -1.50 2.78 -0.30 1.43 1.03 -1.15 -4.68 118.70 116.31 3epk s GLU 130 Ca 0.34 1.66 -0.12 0.00 0.03 0.00 0.00 54.97 56.87 3epk s GLU 130 Cb 0.03 -1.92 0.17 0.00 -0.80 0.00 0.00 34.13 31.61 3epk s GLU 130 CO 0.04 -1.32 0.95 0.50 -1.33 0.00 0.00 175.26 174.11 3epk s ARG 131 N -3.68 0.29 -0.28 -4.83 6.06 -1.26 -5.01 118.95 110.24 3epk s ARG 131 Ca 0.73 0.62 -0.30 0.00 -2.50 0.00 0.00 55.73 54.28 3epk s ARG 131 Cb -0.26 0.36 -0.07 0.00 0.06 0.00 0.00 34.95 35.03 3epk s ARG 131 CO 0.37 -0.23 2.23 1.63 -2.50 0.00 0.00 175.30 176.81 3epk n LYS 132 N 5.26 1.63 -2.02 5.12 4.76 -1.26 -4.87 118.16 126.79 3epk n LYS 132 Ca -0.07 0.42 -0.40 0.00 -2.87 0.00 0.00 58.31 55.39 3epk n LYS 132 Cb 0.53 -3.02 -0.01 0.00 -1.84 0.00 0.00 35.03 30.69 3epk n LYS 132 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 3epk s LEU 133 N 8.33 4.27 0.23 -0.35 2.01 -1.26 -4.99 118.68 126.92 3epk s LEU 133 Ca 1.04 2.73 -0.17 0.00 0.01 0.00 0.00 54.13 57.74 3epk s LEU 133 Cb -0.48 -3.81 -0.08 0.00 0.01 0.00 0.00 46.19 41.83 3epk s LEU 133 CO 0.39 -0.80 0.68 -0.89 1.01 0.00 0.00 176.35 176.73 3epk s THR 134 N -1.21 4.67 0.35 5.49 2.01 -1.26 -4.90 115.64 120.80 3epk s THR 134 Ca 0.55 1.07 0.12 0.00 0.31 0.00 0.00 61.69 63.74 3epk s THR 134 Cb -0.40 -3.77 0.34 0.00 0.01 0.00 0.00 72.50 68.68 3epk s THR 134 CO 0.52 0.12 1.76 -0.09 -0.69 0.00 0.00 174.62 176.24 3epk h ARG 135 N 3.16 0.53 -0.17 4.92 9.65 -1.98 0.32 114.38 130.80 3epk h ARG 135 Ca -0.48 -0.03 -0.04 0.00 -1.10 0.00 0.00 59.98 58.33 3epk h ARG 135 Cb 1.19 -0.12 -0.01 0.00 -1.39 0.00 0.00 29.97 29.64 3epk h ARG 135 CO 0.66 0.35 -0.04 0.87 2.80 0.00 0.00 179.97 184.60 3epk h LYS 136 N 0.54 0.33 0.02 0.20 1.57 -1.99 -0.78 116.57 116.46 3epk h LYS 136 Ca 0.61 -0.13 -0.00 0.00 -1.87 0.00 0.00 60.65 59.26 3epk h LYS 136 Cb 1.26 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 33.55 3epk h LYS 136 CO -0.38 0.60 -0.01 1.96 -0.57 0.00 0.00 179.45 181.05 3epk h GLN 137 N 0.04 -0.02 -0.15 3.15 4.20 -1.25 -2.91 115.11 118.17 3epk h GLN 137 Ca 0.04 0.00 0.02 0.00 0.06 0.00 0.00 58.65 58.77 3epk h GLN 137 Cb 0.48 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.24 3epk h GLN 137 CO 0.02 0.08 0.03 -0.07 -0.67 0.00 0.00 178.83 178.22 3epk h LEU 138 N -0.12 0.01 -1.93 1.46 3.38 -0.51 -1.57 115.31 116.03 3epk h LEU 138 Ca -0.00 0.02 0.14 0.00 0.09 0.00 0.00 57.88 58.13 3epk h LEU 138 Cb 0.11 0.03 -0.02 0.00 0.09 0.00 0.00 40.66 40.87 3epk h LEU 138 CO 0.00 0.03 0.50 0.44 0.09 0.00 0.00 178.44 179.51 3epk h ASP 139 N 0.10 0.00 0.05 -0.43 3.45 -1.02 0.15 116.42 118.72 3epk h ASP 139 Ca 0.07 0.00 -0.08 0.00 0.43 0.00 0.00 57.03 57.44 3epk h ASP 139 Cb 0.06 0.00 0.01 0.00 -0.56 0.00 0.00 39.33 38.83 3epk h ASP 139 CO -0.09 0.00 -0.38 0.40 -1.57 0.00 0.00 179.24 177.61 3epk h ILE 140 N 0.00 1.64 0.18 0.35 2.04 -1.13 -3.24 117.51 117.36 3epk h ILE 140 Ca 0.23 -2.41 -0.01 0.00 1.00 0.00 0.00 64.86 63.67 3epk h ILE 140 Cb 1.23 3.27 -0.00 0.00 -0.74 0.00 0.00 36.82 40.58 3epk h ILE 140 CO -0.00 0.64 -0.11 -0.07 0.00 0.00 0.00 178.15 178.61 3epk h LEU 141 N -0.76 -0.27 -3.35 1.44 3.38 0.03 -2.91 115.31 112.88 3epk h LEU 141 Ca -0.07 0.01 -0.04 0.00 0.09 0.00 0.00 57.88 57.87 3epk h LEU 141 Cb 1.26 0.08 -0.01 0.00 0.09 0.00 0.00 40.66 42.08 3epk h LEU 141 CO 0.05 -0.17 -0.06 -1.84 0.09 0.00 0.00 178.44 176.51 3epk n GLU 142 N -2.86 1.07 -3.23 1.13 0.28 0.26 -4.87 120.64 112.42 3epk n GLU 142 Ca -0.03 -0.20 -0.35 0.00 -0.16 0.00 0.00 57.16 56.42 3epk n GLU 142 Cb 0.11 -1.26 -0.06 0.00 1.43 0.00 0.00 31.44 31.66 3epk n GLU 142 CO 0.00 0.00 0.00 0.45 -0.16 0.00 0.00 177.13 177.42 3epk s SER 143 N 2.03 6.90 0.16 -1.84 0.15 -1.10 -4.90 113.70 115.09 3epk s SER 143 Ca 0.13 1.23 -0.11 0.00 0.70 0.00 0.00 55.95 57.90 3epk s SER 143 Cb 0.06 -2.35 0.03 0.00 -1.71 0.00 0.00 66.02 62.06 3epk s SER 143 CO 0.00 0.02 1.60 0.71 1.20 0.00 0.00 173.24 176.78 3epk h THR 144 N 2.62 1.27 -3.93 6.45 1.35 -1.89 -3.44 112.91 115.33 3epk h THR 144 Ca -0.48 -1.15 -0.52 0.00 -0.55 0.00 0.00 66.41 63.71 3epk h THR 144 Cb 1.19 0.94 0.07 0.00 -1.73 0.00 0.00 68.15 68.62 3epk h THR 144 CO 0.66 0.41 0.56 -0.62 -0.25 0.00 0.00 175.52 176.27 3epk s ASP 145 N -6.48 6.47 -0.14 5.36 2.15 -1.26 -4.99 116.67 117.78 3epk s ASP 145 Ca -0.12 2.51 -0.18 0.00 0.43 0.00 0.00 52.55 55.19 3epk s ASP 145 Cb 0.12 -2.63 -0.15 0.00 -0.30 0.00 0.00 42.92 39.96 3epk s ASP 145 CO 0.84 -0.72 0.37 1.55 -0.17 0.00 0.00 175.17 177.04 3epk h PRO 146 N 2.76 0.00 0.00 4.34 0.13 -1.98 -3.37 132.00 133.88 3epk h PRO 146 Ca -0.49 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 3epk h PRO 146 Cb 1.24 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.37 3epk h PRO 146 CO 0.63 0.62 0.00 -0.40 -0.23 0.00 0.00 178.00 178.62 3epk n ASP 147 N -4.63 0.00 -0.03 1.44 5.75 -1.26 -3.20 116.55 114.62 3epk n ASP 147 Ca -0.10 -0.02 -0.15 0.00 -0.01 0.00 0.00 54.79 54.50 3epk n ASP 147 Cb 0.36 -0.25 -0.09 0.00 -1.03 0.00 0.00 41.12 40.10 3epk n ASP 147 CO 0.00 0.00 0.00 1.62 -0.11 0.00 0.00 177.20 178.71 3epk h VAL 148 N 0.00 1.41 -0.07 2.12 3.04 -1.97 -2.57 116.25 118.21 3epk h VAL 148 Ca 0.00 -1.78 -0.05 0.00 -1.01 0.00 0.00 66.70 63.86 3epk h VAL 148 Cb 0.14 2.31 -0.01 0.00 -2.01 0.00 0.00 31.29 31.72 3epk h VAL 148 CO 0.00 0.52 -0.19 -0.29 -1.01 0.00 0.00 177.57 176.60 3epk h ILE 149 N -0.07 1.17 0.31 3.17 2.10 -1.76 -2.41 117.51 120.02 3epk h ILE 149 Ca -0.03 -0.79 -0.02 0.00 1.08 0.00 0.00 64.86 65.11 3epk h ILE 149 Cb 1.04 1.33 0.00 0.00 -1.09 0.00 0.00 36.82 38.11 3epk h ILE 149 CO 0.08 0.24 -0.15 0.22 -1.08 0.00 0.00 178.15 177.46 3epk h TYR 150 N 0.10 -0.39 -0.69 2.19 3.20 -1.67 -2.79 116.97 116.93 3epk h TYR 150 Ca 0.02 -0.01 0.19 0.00 3.14 0.00 0.00 58.73 62.07 3epk h TYR 150 Cb 0.40 0.13 -0.03 0.00 1.54 0.00 0.00 36.73 38.76 3epk h TYR 150 CO 0.00 -0.04 0.49 -0.91 -1.64 0.00 0.00 178.16 176.06 3epk h ASN 151 N -0.85 0.04 -0.25 -2.11 2.35 -1.34 0.18 115.58 113.59 3epk h ASN 151 Ca -0.04 0.00 -0.04 0.00 -0.55 0.00 0.00 56.30 55.67 3epk h ASN 151 Cb 0.52 -0.01 -0.01 0.00 0.05 0.00 0.00 38.32 38.88 3epk h ASN 151 CO 0.07 0.02 0.00 0.74 -1.65 0.00 0.00 177.43 176.61 3epk h THR 152 N 0.05 1.25 -0.14 2.81 2.02 -1.32 -2.28 112.91 115.29 3epk h THR 152 Ca 0.33 -0.90 -0.01 0.00 0.77 0.00 0.00 66.41 66.60 3epk h THR 152 Cb 1.25 1.34 -0.01 0.00 -1.74 0.00 0.00 68.15 69.00 3epk h THR 152 CO -0.02 0.28 0.05 0.25 0.37 0.00 0.00 175.52 176.46 3epk h LEU 153 N 0.22 0.20 -1.98 2.58 5.85 -0.51 -1.96 115.31 119.71 3epk h LEU 153 Ca 0.07 -0.18 0.18 0.00 0.84 0.00 0.00 57.88 58.79 3epk h LEU 153 Cb 0.41 -0.05 -0.02 0.00 0.37 0.00 0.00 40.66 41.36 3epk h LEU 153 CO 0.01 0.33 0.50 0.58 -0.34 0.00 0.00 178.44 179.52 3epk h VAL 154 N 0.06 0.54 0.09 1.05 2.07 -0.78 -2.49 116.25 116.80 3epk h VAL 154 Ca 0.05 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.56 3epk h VAL 154 Cb 0.19 0.63 0.00 0.00 -1.52 0.00 0.00 31.29 30.60 3epk h VAL 154 CO -0.00 0.00 -0.04 0.50 0.02 0.00 0.00 177.57 178.04 3epk h LYS 155 N 0.00 -0.12 -5.20 1.57 1.63 -0.77 -3.27 116.57 110.41 3epk h LYS 155 Ca 0.29 0.01 -0.66 0.00 -0.85 0.00 0.00 60.65 59.45 3epk h LYS 155 Cb 1.30 0.03 -0.16 0.00 -0.60 0.00 0.00 32.23 32.79 3epk h LYS 155 CO -0.00 -0.08 0.46 0.00 -3.45 0.00 0.00 179.45 176.38 3epk n ASP 157 N 7.21 -2.29 0.16 0.00 4.64 -1.24 -4.72 116.55 120.31 3epk n ASP 157 Ca -0.02 -0.00 0.13 0.00 -1.38 0.00 0.00 54.79 53.51 3epk n ASP 157 Cb 0.45 -1.20 0.53 0.00 -1.04 0.00 0.00 41.12 39.86 3epk n ASP 157 CO 0.00 0.00 0.00 1.55 -0.82 0.00 0.00 177.20 177.93 3epk h PRO 158 N 0.02 0.00 0.00 -0.67 0.13 -1.68 -3.05 132.00 126.75 3epk h PRO 158 Ca -0.00 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 65.11 3epk h PRO 158 Cb 1.00 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.13 3epk h PRO 158 CO 0.02 0.00 -0.09 -0.44 -0.23 0.00 0.00 178.00 177.26 3epk h ASP 159 N 0.00 0.00 0.27 1.44 3.32 -1.91 -1.97 116.42 117.57 3epk h ASP 159 Ca 0.00 0.00 -0.26 0.00 0.02 0.00 0.00 57.03 56.79 3epk h ASP 159 Cb 0.40 0.00 -0.05 0.00 0.22 0.00 0.00 39.33 39.91 3epk h ASP 159 CO 0.00 0.09 -1.97 0.00 -1.72 0.00 0.00 179.24 175.64 3epk n ILE 160 N -3.30 1.22 0.58 0.35 0.13 -1.15 -4.00 119.36 113.19 3epk n ILE 160 Ca -0.01 -0.76 0.11 0.00 -1.10 0.00 0.00 62.75 60.99 3epk n ILE 160 Cb 0.29 -0.59 0.44 0.00 -0.84 0.00 0.00 39.64 38.93 3epk n ILE 160 CO 0.00 0.00 0.00 0.00 2.80 0.00 0.00 176.55 179.35 3epk n ALA 161 N -2.56 1.87 1.31 1.51 0.00 -0.92 -2.17 120.51 119.55 3epk n ALA 161 Ca -0.21 -0.02 0.13 0.00 0.00 0.00 0.00 53.44 53.35 3epk n ALA 161 Cb 0.99 -1.36 0.38 0.00 0.00 0.00 0.00 19.45 19.46 3epk n ALA 161 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.50 175.13 3epk n THR 162 N -1.83 0.00 0.73 0.00 5.66 -0.79 -3.67 114.28 114.39 3epk n THR 162 Ca 0.04 -0.24 0.09 0.00 -3.05 0.00 0.00 64.05 60.89 3epk n THR 162 Cb 0.26 0.65 0.08 0.00 -1.55 0.00 0.00 70.33 69.78 3epk n THR 162 CO 0.00 0.00 0.00 0.29 -3.05 0.00 0.00 175.07 172.31 3epk n LYS 163 N 0.02 1.63 -4.67 1.09 5.02 -0.92 -4.74 118.16 115.59 3epk n LYS 163 Ca 0.15 -1.64 -0.24 0.00 -2.02 0.00 0.00 58.31 54.56 3epk n LYS 163 Cb 0.39 -1.36 -0.16 0.00 -0.02 0.00 0.00 35.03 33.88 3epk n LYS 163 CO 0.00 0.00 0.00 0.71 -0.52 0.00 0.00 177.40 177.59 3epk s TYR 164 N -1.53 1.46 0.44 2.13 1.51 -1.24 -5.12 117.35 114.99 3epk s TYR 164 Ca 0.22 -0.42 -0.24 0.00 -1.01 0.00 0.00 57.07 55.62 3epk s TYR 164 Cb 0.16 -1.00 -0.08 0.00 -0.11 0.00 0.00 41.96 40.93 3epk s TYR 164 CO 0.23 -0.16 1.24 -1.58 -1.11 0.00 0.00 175.55 174.18 3epk s HIS 165 N 0.17 2.81 -2.00 2.71 5.65 -1.26 -4.89 115.29 118.49 3epk s HIS 165 Ca -0.05 1.47 0.04 0.00 0.25 0.00 0.00 55.06 56.77 3epk s HIS 165 Cb -0.11 -3.55 0.25 0.00 -1.18 0.00 0.00 32.58 27.99 3epk s HIS 165 CO 0.02 -1.87 0.66 -0.35 -0.65 0.00 0.00 174.74 172.54 3epk n PRO 166 N -0.22 0.17 0.00 2.88 -0.04 -1.26 -1.80 135.00 134.73 3epk n PRO 166 Ca 0.06 0.00 0.04 0.00 -0.04 0.00 0.00 63.50 63.56 3epk n PRO 166 Cb 0.46 -1.39 -0.03 0.00 -0.04 0.00 0.00 33.50 32.50 3epk n PRO 166 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 3epk n ASN 167 N -0.89 0.79 -3.58 3.54 4.13 -1.26 -4.72 115.26 113.26 3epk n ASN 167 Ca 0.03 -0.89 -0.41 0.00 1.68 0.00 0.00 54.58 54.99 3epk n ASN 167 Cb 0.01 0.74 -0.01 0.00 -1.54 0.00 0.00 39.78 38.98 3epk n ASN 167 CO 0.00 0.00 0.00 -0.67 0.28 0.00 0.00 177.26 176.87 3epk n ASP 168 N -0.75 5.87 -0.12 6.41 4.64 -0.74 -4.79 116.55 127.07 3epk n ASP 168 Ca 0.03 -2.79 -0.08 0.00 -1.38 0.00 0.00 54.79 50.58 3epk n ASP 168 Cb 0.17 -1.60 -0.02 0.00 -1.04 0.00 0.00 41.12 38.64 3epk n ASP 168 CO 0.00 0.00 0.00 0.22 -0.82 0.00 0.00 177.20 176.60 3epk h TYR 169 N 5.56 -0.92 -0.55 -0.67 3.20 -1.86 -0.03 116.97 121.71 3epk h TYR 169 Ca 0.67 0.06 0.11 0.00 3.14 0.00 0.00 58.73 62.70 3epk h TYR 169 Cb 0.50 0.46 -0.11 0.00 1.54 0.00 0.00 36.73 39.12 3epk h TYR 169 CO 1.60 -0.38 -0.24 0.00 -1.64 0.00 0.00 178.16 177.50 3epk h ARG 170 N -0.25 -0.10 0.00 1.82 3.08 -2.00 -0.29 114.38 116.64 3epk h ARG 170 Ca 0.17 0.01 -0.00 0.00 0.07 0.00 0.00 59.98 60.23 3epk h ARG 170 Cb 0.54 0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.61 3epk h ARG 170 CO -0.54 -0.07 -0.00 0.00 -1.07 0.00 0.00 179.97 178.29 3epk h ARG 171 N -0.10 -0.01 -0.99 0.04 3.08 -1.90 -2.35 114.38 112.15 3epk h ARG 171 Ca 0.25 0.00 0.21 0.00 0.07 0.00 0.00 59.98 60.51 3epk h ARG 171 Cb 0.50 0.00 -0.10 0.00 0.08 0.00 0.00 29.97 30.45 3epk h ARG 171 CO -0.62 0.82 0.62 0.28 -1.07 0.00 0.00 179.97 180.00 3epk h VAL 172 N -0.85 0.65 -0.14 2.04 2.07 -0.93 0.27 116.25 119.36 3epk h VAL 172 Ca -0.00 -0.21 -0.03 0.00 0.82 0.00 0.00 66.70 67.28 3epk h VAL 172 Cb 0.83 -0.01 -0.00 0.00 -1.52 0.00 0.00 31.29 30.58 3epk h VAL 172 CO 0.00 0.11 -0.01 -0.61 0.02 0.00 0.00 177.57 177.08 3epk h GLN 173 N 0.61 0.26 -0.46 1.57 4.15 -1.09 -2.85 115.11 117.30 3epk h GLN 173 Ca 0.57 -0.09 0.05 0.00 0.77 0.00 0.00 58.65 59.95 3epk h GLN 173 Cb 1.10 -0.02 -0.05 0.00 0.21 0.00 0.00 27.48 28.72 3epk h GLN 173 CO -0.33 0.51 0.19 -0.09 -1.93 0.00 0.00 178.83 177.18 3epk h ARG 174 N -0.02 0.37 -0.69 1.69 9.65 -0.15 -0.03 114.38 125.20 3epk h ARG 174 Ca 0.04 -0.02 0.08 0.00 -1.10 0.00 0.00 59.98 58.98 3epk h ARG 174 Cb 0.40 -0.08 -0.07 0.00 -1.39 0.00 0.00 29.97 28.83 3epk h ARG 174 CO 0.01 0.25 0.35 0.52 2.80 0.00 0.00 179.97 183.90 3epk h MET 175 N 0.39 0.59 -0.60 0.20 2.86 -0.54 -1.40 114.93 116.42 3epk h MET 175 Ca 0.21 -0.04 -0.10 0.00 -2.06 0.00 0.00 59.70 57.72 3epk h MET 175 Cb 0.18 -0.13 -0.02 0.00 0.06 0.00 0.00 31.60 31.68 3epk h MET 175 CO -0.19 0.39 -0.01 1.25 1.06 0.00 0.00 176.91 179.41 3epk h LEU 176 N 0.61 1.05 -1.80 1.22 6.46 -1.15 -1.98 115.31 119.73 3epk h LEU 176 Ca 0.33 -0.31 0.05 0.00 -0.12 0.00 0.00 57.88 57.83 3epk h LEU 176 Cb 0.32 -0.28 -0.02 0.00 -0.73 0.00 0.00 40.66 39.95 3epk h LEU 176 CO -0.25 1.11 0.23 -0.08 -0.62 0.00 0.00 178.44 178.83 3epk h GLU 177 N 0.97 0.25 0.02 1.25 4.81 -0.01 -1.77 114.58 120.09 3epk h GLU 177 Ca 0.17 -0.01 -0.22 0.00 -0.13 0.00 0.00 59.36 59.17 3epk h GLU 177 Cb 0.57 -0.06 0.02 0.00 0.63 0.00 0.00 28.75 29.92 3epk h GLU 177 CO 0.03 0.16 -0.86 0.82 -0.73 0.00 0.00 179.01 178.43 3epk h ILE 178 N 0.25 1.35 -0.27 2.32 2.04 -0.64 -2.11 117.51 120.45 3epk h ILE 178 Ca 0.15 -2.20 0.08 0.00 1.00 0.00 0.00 64.86 63.88 3epk h ILE 178 Cb 0.27 2.53 -0.01 0.00 -0.74 0.00 0.00 36.82 38.87 3epk h ILE 178 CO -0.03 0.66 0.26 0.22 0.00 0.00 0.00 178.15 179.27 3epk h TYR 179 N 0.14 0.00 0.00 1.37 3.20 -0.63 -0.61 116.97 120.44 3epk h TYR 179 Ca -0.11 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.76 3epk h TYR 179 Cb 1.55 0.00 0.00 0.00 1.54 0.00 0.00 36.73 39.82 3epk h TYR 179 CO 0.13 0.00 -0.10 1.88 -1.64 0.00 0.00 178.16 178.43 3epk h TYR 180 N 0.00 0.00 -0.95 -3.82 0.99 -1.40 -1.75 116.97 110.04 3epk h TYR 180 Ca 0.13 0.00 0.28 0.00 2.00 0.00 0.00 58.73 61.13 3epk h TYR 180 Cb 0.65 0.00 -0.04 0.00 1.00 0.00 0.00 36.73 38.34 3epk h TYR 180 CO 0.00 0.00 0.75 0.87 -0.00 0.00 0.00 178.16 179.78 3epk h LYS 181 N -0.25 0.00 0.00 4.88 1.57 -1.29 0.25 116.57 121.73 3epk h LYS 181 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3epk h LYS 181 Cb 0.10 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.41 3epk h LYS 181 CO 0.00 0.00 -1.28 0.25 -0.57 0.00 0.00 179.45 177.85 3epk n THR 182 N -4.04 0.00 -1.67 -0.16 -2.24 -0.24 -4.59 114.28 101.34 3epk n THR 182 Ca 0.20 -0.27 -0.19 0.00 -2.27 0.00 0.00 64.05 61.52 3epk n THR 182 Cb 1.07 0.48 -0.07 0.00 -2.10 0.00 0.00 70.33 69.71 3epk n THR 182 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3epk n GLY 183 N 1.56 1.53 3.05 3.38 0.00 0.07 -4.94 105.19 109.85 3epk n GLY 183 Ca -0.01 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.76 3epk n GLY 183 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3epk s LYS 184 N -3.82 1.76 -0.10 1.61 2.20 -1.22 -5.00 119.74 115.18 3epk s LYS 184 Ca 0.00 -0.47 -0.37 0.00 -0.36 0.00 0.00 55.97 54.77 3epk s LYS 184 Cb 0.00 -1.45 -0.15 0.00 -1.51 0.00 0.00 37.83 34.72 3epk s LYS 184 CO 0.00 0.07 1.67 1.63 -0.36 0.00 0.00 175.35 178.36 3epk n LYS 185 N 3.67 1.53 -0.06 4.03 5.02 -1.26 -4.31 118.16 126.77 3epk n LYS 185 Ca -0.22 0.56 0.03 0.00 -2.02 0.00 0.00 58.31 56.67 3epk n LYS 185 Cb 0.52 -2.28 0.38 0.00 -0.02 0.00 0.00 35.03 33.63 3epk n LYS 185 CO 0.00 0.00 0.00 -1.00 -0.52 0.00 0.00 177.40 175.88 3epk h PRO 186 N 6.96 0.65 -0.75 1.97 0.13 -1.91 -1.68 132.00 137.36 3epk h PRO 186 Ca -0.47 -0.04 0.01 0.00 -0.87 0.00 0.00 66.00 64.63 3epk h PRO 186 Cb 1.30 -0.15 -0.04 0.00 0.13 0.00 0.00 31.00 32.25 3epk h PRO 186 CO 0.91 0.43 0.50 0.66 -0.23 0.00 0.00 178.00 180.26 3epk h SER 187 N 0.66 0.85 -0.09 1.44 4.64 -1.91 -1.88 113.55 117.27 3epk h SER 187 Ca 0.19 -0.02 -0.19 0.00 -0.47 0.00 0.00 61.79 61.30 3epk h SER 187 Cb -0.05 -0.21 0.01 0.00 -0.31 0.00 0.00 62.40 61.84 3epk h SER 187 CO -0.04 0.61 -0.67 -0.33 -0.87 0.00 0.00 176.83 175.53 3epk h GLU 188 N 1.01 0.61 -0.69 4.77 5.08 -1.71 -3.01 114.58 120.64 3epk h GLU 188 Ca 0.28 -0.54 0.16 0.00 -1.00 0.00 0.00 59.36 58.26 3epk h GLU 188 Cb -0.09 0.12 -0.04 0.00 0.50 0.00 0.00 28.75 29.24 3epk h GLU 188 CO -0.06 1.16 0.47 1.15 -1.00 0.00 0.00 179.01 180.73 3epk h THR 189 N 0.25 0.75 0.04 1.13 2.02 -0.66 -0.43 112.91 116.01 3epk h THR 189 Ca -0.06 -0.08 -0.27 0.00 0.77 0.00 0.00 66.41 66.78 3epk h THR 189 Cb 1.32 0.50 0.02 0.00 -1.74 0.00 0.00 68.15 68.25 3epk h THR 189 CO 0.14 0.04 -1.09 -0.26 0.37 0.00 0.00 175.52 174.72 3epk h PHE 190 N 0.23 0.88 0.00 3.16 0.05 -1.33 -3.04 116.94 116.89 3epk h PHE 190 Ca 0.34 -0.51 0.00 0.00 3.82 0.00 0.00 57.97 61.62 3epk h PHE 190 Cb 1.00 -0.09 0.00 0.00 2.00 0.00 0.00 35.95 38.86 3epk h PHE 190 CO -0.00 1.35 0.00 0.09 -0.18 0.00 0.00 178.31 179.56 3epk n ASN 191 N -3.78 0.00 -0.51 2.17 3.02 -0.24 -1.93 115.26 113.99 3epk n ASN 191 Ca -0.10 0.03 0.04 0.00 -0.03 0.00 0.00 54.58 54.52 3epk n ASN 191 Cb 0.91 -0.28 0.12 0.00 -0.61 0.00 0.00 39.78 39.92 3epk n ASN 191 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 3epk n GLU 192 N -1.28 2.87 -2.07 3.52 1.02 -0.79 -5.03 120.64 118.88 3epk n GLU 192 Ca 0.08 -1.93 -0.27 0.00 -0.02 0.00 0.00 57.16 55.02 3epk n GLU 192 Cb 0.14 -1.21 0.07 0.00 -0.02 0.00 0.00 31.44 30.42 3epk n GLU 192 CO 0.00 0.00 0.00 -0.65 1.18 0.00 0.00 177.13 177.66 3epk s GLN 193 N -1.00 2.23 -0.20 3.49 -0.21 -0.81 -5.05 119.66 118.11 3epk s GLN 193 Ca 0.18 -0.03 -0.13 0.00 0.02 0.00 0.00 55.36 55.41 3epk s GLN 193 Cb 0.10 -2.08 -0.08 0.00 1.00 0.00 0.00 33.01 31.94 3epk s GLN 193 CO 0.13 -1.31 -0.30 1.63 -2.12 0.00 0.00 175.29 173.31 3epk n LYS 194 N -3.05 0.48 -0.02 2.91 4.76 -1.26 -4.97 118.16 117.01 3epk n LYS 194 Ca 0.08 0.21 0.00 0.00 -2.87 0.00 0.00 58.31 55.72 3epk n LYS 194 Cb 0.60 -1.32 0.00 0.00 -1.84 0.00 0.00 35.03 32.47 3epk n LYS 194 CO 0.00 0.00 0.00 -0.89 -1.37 0.00 0.00 177.40 175.14 3epk n ILE 195 N -4.14 0.00 -1.86 -0.18 -0.00 -1.25 -4.94 119.36 106.98 3epk n ILE 195 Ca -0.35 0.00 -0.42 0.00 -0.00 0.00 0.00 62.75 61.98 3epk n ILE 195 Cb 0.70 -0.00 -0.03 0.00 -0.00 0.00 0.00 39.64 40.31 3epk n ILE 195 CO 0.00 0.00 0.00 -0.89 -0.00 0.00 0.00 176.55 175.66 3epk s THR 196 N -2.22 2.71 0.23 1.39 2.01 -1.26 -4.67 115.64 113.83 3epk s THR 196 Ca 0.00 0.32 -0.30 0.00 0.31 0.00 0.00 61.69 62.03 3epk s THR 196 Cb 0.00 -3.21 -0.09 0.00 0.01 0.00 0.00 72.50 69.21 3epk s THR 196 CO 0.00 0.01 1.03 -1.48 -0.69 0.00 0.00 174.62 173.48 3epk s LEU 197 N 2.13 4.58 0.35 4.42 2.34 -1.26 -4.34 118.68 126.90 3epk s LEU 197 Ca 0.75 2.08 -0.13 0.00 0.06 0.00 0.00 54.13 56.89 3epk s LEU 197 Cb -0.43 -3.61 -0.08 0.00 -0.56 0.00 0.00 46.19 41.51 3epk s LEU 197 CO 0.33 -0.03 0.74 -1.59 -1.06 0.00 0.00 176.35 174.74 3epk s LYS 198 N -1.06 3.89 0.23 1.48 -2.85 -1.03 -4.87 119.74 115.54 3epk s LYS 198 Ca 0.44 0.56 0.00 0.00 -1.00 0.00 0.00 55.97 55.97 3epk s LYS 198 Cb -0.29 -2.42 0.00 0.00 -2.06 0.00 0.00 37.83 33.06 3epk s LYS 198 CO 0.36 0.08 0.00 1.19 0.10 0.00 0.00 175.35 177.07 3epk n PHE 199 N -0.77 -1.87 -2.17 1.78 3.01 -1.26 -4.68 117.46 111.49 3epk n PHE 199 Ca 0.03 1.00 -0.43 0.00 1.01 0.00 0.00 57.45 59.07 3epk n PHE 199 Cb 0.53 -2.03 -0.02 0.00 -0.01 0.00 0.00 39.48 37.95 3epk n PHE 199 CO 0.00 0.00 0.00 0.34 1.01 0.00 0.00 176.76 178.11 3epk s ASP 200 N -2.88 6.04 0.01 4.37 -1.08 -1.00 -4.91 116.67 117.22 3epk s ASP 200 Ca 0.00 0.96 0.01 0.00 -0.52 0.00 0.00 52.55 53.00 3epk s ASP 200 Cb 0.00 -2.53 -0.04 0.00 -1.46 0.00 0.00 42.92 38.89 3epk s ASP 200 CO 0.00 -1.65 0.05 -0.89 0.52 0.00 0.00 175.17 173.20 3epk s THR 201 N 6.39 4.46 -0.24 1.71 2.01 -1.26 -1.49 115.64 127.22 3epk s THR 201 Ca 0.69 -0.54 0.02 0.00 0.31 0.00 0.00 61.69 62.18 3epk s THR 201 Cb -0.17 -3.03 0.05 0.00 0.01 0.00 0.00 72.50 69.36 3epk s THR 201 CO 0.32 0.33 -0.13 -0.22 -0.69 0.00 0.00 174.62 174.24 3epk s LEU 202 N -1.74 3.16 -0.18 4.42 2.96 -0.73 -4.97 118.68 121.60 3epk s LEU 202 Ca 0.22 -1.21 -0.16 0.00 -0.22 0.00 0.00 54.13 52.76 3epk s LEU 202 Cb -0.12 -1.54 -0.04 0.00 0.50 0.00 0.00 46.19 44.99 3epk s LEU 202 CO 0.13 -0.15 0.40 -0.36 -1.32 0.00 0.00 176.35 175.05 3epk s PHE 203 N 1.15 3.42 -0.11 5.38 0.40 -1.26 -1.24 117.98 125.72 3epk s PHE 203 Ca -0.05 0.67 0.02 0.00 -0.60 0.00 0.00 56.93 56.97 3epk s PHE 203 Cb -0.18 -2.50 -0.01 0.00 0.51 0.00 0.00 43.02 40.83 3epk s PHE 203 CO -0.07 0.06 -0.19 -0.51 0.70 0.00 0.00 175.22 175.22 3epk s LEU 204 N 1.04 2.40 -0.27 -0.37 1.43 0.39 -1.79 118.68 121.51 3epk s LEU 204 Ca 0.20 -0.44 -0.02 0.00 -1.03 0.00 0.00 54.13 52.85 3epk s LEU 204 Cb -0.14 -1.51 0.03 0.00 0.03 0.00 0.00 46.19 44.60 3epk s LEU 204 CO 0.08 0.17 -0.04 0.86 0.23 0.00 0.00 176.35 177.65 3epk s TRP 205 N 0.29 3.14 -0.55 0.29 -0.00 -0.36 0.54 118.94 122.28 3epk s TRP 205 Ca -0.14 -1.66 -0.19 0.00 -0.00 0.00 0.00 56.10 54.11 3epk s TRP 205 Cb -0.17 -2.08 0.08 0.00 -0.00 0.00 0.00 33.47 31.31 3epk s TRP 205 CO 0.07 -0.75 0.68 -1.17 -0.00 0.00 0.00 176.95 175.78 3epk s LEU 206 N 1.30 5.11 0.36 5.86 2.96 -0.15 -0.47 118.68 133.65 3epk s LEU 206 Ca -0.02 -1.13 0.07 0.00 -0.22 0.00 0.00 54.13 52.83 3epk s LEU 206 Cb -0.18 -2.39 -0.01 0.00 0.50 0.00 0.00 46.19 44.11 3epk s LEU 206 CO -0.03 -1.02 0.43 -0.47 -1.32 0.00 0.00 176.35 173.93 3epk s TYR 207 N 2.75 2.94 -0.28 5.38 5.04 -0.75 -4.17 117.35 128.27 3epk s TYR 207 Ca 0.14 -0.31 -0.17 0.00 -2.44 0.00 0.00 57.07 54.29 3epk s TYR 207 Cb -0.21 -2.03 0.10 0.00 0.35 0.00 0.00 41.96 40.16 3epk s TYR 207 CO 0.09 -0.05 0.77 0.45 -1.34 0.00 0.00 175.55 175.48 3epk s SER 208 N -4.15 -0.82 0.24 4.32 0.15 -1.26 -0.61 113.70 111.57 3epk s SER 208 Ca 0.46 1.34 -0.29 0.00 0.70 0.00 0.00 55.95 58.16 3epk s SER 208 Cb -0.08 1.34 -0.15 0.00 -1.71 0.00 0.00 66.02 65.42 3epk s SER 208 CO 0.30 -0.21 0.84 0.29 1.20 0.00 0.00 173.24 175.66 3epk n LYS 209 N 4.01 0.80 -0.06 5.44 4.76 -1.26 -4.76 118.16 127.09 3epk n LYS 209 Ca -0.19 0.28 -0.07 0.00 -2.87 0.00 0.00 58.31 55.46 3epk n LYS 209 Cb 0.58 -1.53 -0.01 0.00 -1.84 0.00 0.00 35.03 32.23 3epk n LYS 209 CO 0.00 0.00 0.00 -1.00 -1.37 0.00 0.00 177.40 175.03 3epk h PRO 210 N 1.77 0.07 -0.04 1.97 0.13 -2.00 -2.43 132.00 131.47 3epk h PRO 210 Ca -0.36 -0.00 0.03 0.00 -0.87 0.00 0.00 66.00 64.80 3epk h PRO 210 Cb 1.38 -0.02 -0.06 0.00 0.13 0.00 0.00 31.00 32.43 3epk h PRO 210 CO 0.60 0.05 -0.44 0.93 -0.23 0.00 0.00 178.00 178.91 3epk h GLU 211 N 0.07 -0.55 -0.59 0.86 4.39 -2.00 0.37 114.58 117.13 3epk h GLU 211 Ca 0.12 0.04 0.02 0.00 0.34 0.00 0.00 59.36 59.88 3epk h GLU 211 Cb 0.16 0.12 -0.03 0.00 -0.10 0.00 0.00 28.75 28.90 3epk h GLU 211 CO -0.21 -0.36 0.38 -1.35 -1.16 0.00 0.00 179.01 176.30 3epk h PRO 212 N -0.57 0.74 0.14 2.33 0.11 -1.92 -2.71 132.00 130.11 3epk h PRO 212 Ca 0.05 -0.04 0.01 0.00 0.11 0.00 0.00 66.00 66.13 3epk h PRO 212 Cb 0.66 -0.17 -0.03 0.00 0.11 0.00 0.00 31.00 31.58 3epk h PRO 212 CO -0.35 0.49 -0.22 1.25 -0.21 0.00 0.00 178.00 178.96 3epk h LEU 213 N 0.76 -0.60 -0.76 2.35 5.85 -0.84 -2.37 115.31 119.70 3epk h LEU 213 Ca 0.23 0.07 0.15 0.00 0.84 0.00 0.00 57.88 59.17 3epk h LEU 213 Cb -0.04 0.22 -0.10 0.00 0.37 0.00 0.00 40.66 41.11 3epk h LEU 213 CO -0.07 -0.30 0.29 -0.26 -0.34 0.00 0.00 178.44 177.75 3epk h PHE 214 N -0.42 0.49 -0.35 1.25 0.05 -0.15 0.33 116.94 118.13 3epk h PHE 214 Ca 0.02 0.04 0.03 0.00 3.82 0.00 0.00 57.97 61.87 3epk h PHE 214 Cb 0.43 -0.10 -0.03 0.00 2.00 0.00 0.00 35.95 38.25 3epk h PHE 214 CO -0.19 0.03 0.18 0.37 -0.18 0.00 0.00 178.31 178.51 3epk h GLN 215 N 0.41 0.35 -0.57 1.51 5.75 -1.14 0.75 115.11 122.18 3epk h GLN 215 Ca 0.43 -0.02 -0.06 0.00 -0.15 0.00 0.00 58.65 58.84 3epk h GLN 215 Cb 0.68 -0.08 -0.02 0.00 1.07 0.00 0.00 27.48 29.13 3epk h GLN 215 CO -0.43 0.23 0.11 0.00 -2.65 0.00 0.00 178.83 176.09 3epk h ARG 216 N 0.36 0.93 -0.41 1.69 3.08 -0.66 -2.30 114.38 117.07 3epk h ARG 216 Ca 0.15 -0.24 -0.02 0.00 0.07 0.00 0.00 59.98 59.94 3epk h ARG 216 Cb 0.06 -0.11 -0.02 0.00 0.08 0.00 0.00 29.97 29.97 3epk h ARG 216 CO -0.10 0.88 0.18 -0.07 -1.07 0.00 0.00 179.97 179.79 3epk h LEU 217 N 0.83 0.52 0.16 3.04 3.38 0.13 0.27 115.31 123.64 3epk h LEU 217 Ca 0.18 -0.05 -0.01 0.00 0.09 0.00 0.00 57.88 58.09 3epk h LEU 217 Cb 0.39 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.01 3epk h LEU 217 CO 0.01 0.46 -0.07 0.44 0.09 0.00 0.00 178.44 179.36 3epk h ASP 218 N 0.58 -0.18 -0.82 -0.43 3.32 -0.50 -1.95 116.42 116.44 3epk h ASP 218 Ca 0.15 -0.29 -0.01 0.00 0.02 0.00 0.00 57.03 56.90 3epk h ASP 218 Cb 0.09 0.05 -0.04 0.00 0.22 0.00 0.00 39.33 39.65 3epk h ASP 218 CO -0.02 0.22 0.49 0.44 -1.72 0.00 0.00 179.24 178.65 3epk h ASP 219 N -0.61 0.99 -1.01 6.45 3.32 -1.20 -0.69 116.42 123.68 3epk h ASP 219 Ca -0.02 -0.06 0.09 0.00 0.02 0.00 0.00 57.03 57.05 3epk h ASP 219 Cb 0.46 -0.25 -0.07 0.00 0.22 0.00 0.00 39.33 39.68 3epk h ASP 219 CO 0.04 0.76 0.64 -0.09 -1.72 0.00 0.00 179.24 178.87 3epk h ARG 220 N 1.14 1.08 -0.33 3.56 1.12 -0.42 0.26 114.38 120.79 3epk h ARG 220 Ca 0.30 -0.07 -0.16 0.00 -1.11 0.00 0.00 59.98 58.94 3epk h ARG 220 Cb -0.04 -0.24 -0.01 0.00 -0.01 0.00 0.00 29.97 29.67 3epk h ARG 220 CO -0.05 0.72 -0.43 0.28 -3.11 0.00 0.00 179.97 177.37 3epk h VAL 221 N 1.11 1.28 0.39 0.20 2.07 -0.35 -2.70 116.25 118.26 3epk h VAL 221 Ca 0.46 -1.61 -0.02 0.00 0.82 0.00 0.00 66.70 66.35 3epk h VAL 221 Cb 0.29 1.48 0.00 0.00 -1.52 0.00 0.00 31.29 31.54 3epk h VAL 221 CO -0.21 0.53 -0.19 0.44 0.02 0.00 0.00 177.57 178.16 3epk h ASP 222 N 0.67 -0.44 0.00 0.57 3.32 -0.05 -2.71 116.42 117.77 3epk h ASP 222 Ca 0.05 0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.11 3epk h ASP 222 Cb 1.00 0.11 0.00 0.00 0.22 0.00 0.00 39.33 40.67 3epk h ASP 222 CO 0.10 -0.29 0.00 -0.90 -1.72 0.00 0.00 179.24 176.43 3epk n ASP 223 N -3.55 0.00 0.01 6.45 5.68 -0.07 -0.90 116.55 124.17 3epk n ASP 223 Ca -0.06 -0.38 -0.07 0.00 -0.50 0.00 0.00 54.79 53.78 3epk n ASP 223 Cb 0.21 0.00 -0.12 0.00 -1.14 0.00 0.00 41.12 40.06 3epk n ASP 223 CO 0.00 0.00 0.00 -0.03 -1.33 0.00 0.00 177.20 175.84 3epk h MET 224 N 0.00 0.00 0.00 0.11 4.05 -1.14 -3.13 114.93 114.82 3epk h MET 224 Ca 0.00 0.00 -0.21 0.00 -0.28 0.00 0.00 59.70 59.21 3epk h MET 224 Cb 0.00 0.00 -0.03 0.00 -0.80 0.00 0.00 31.60 30.77 3epk h MET 224 CO 0.00 0.57 -1.17 -0.07 0.23 0.00 0.00 176.91 176.47 3epk h LEU 225 N 0.00 0.00 -1.31 3.39 3.38 -0.98 -3.10 115.31 116.69 3epk h LEU 225 Ca -0.20 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.70 3epk h LEU 225 Cb 1.88 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.62 3epk h LEU 225 CO 0.09 0.87 -0.33 -0.33 0.09 0.00 0.00 178.44 178.83 3epk h GLU 226 N 0.00 0.00 -0.18 1.13 5.08 -1.60 -2.00 114.58 117.01 3epk h GLU 226 Ca -0.11 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.25 3epk h GLU 226 Cb 1.76 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.01 3epk h GLU 226 CO 0.10 0.33 0.00 0.54 -1.00 0.00 0.00 179.01 178.97 3epk n ARG 227 N -3.89 1.49 -0.57 2.33 1.74 -1.18 -4.88 116.66 111.71 3epk n ARG 227 Ca -0.02 -0.76 0.00 0.00 -0.77 0.00 0.00 57.85 56.30 3epk n ARG 227 Cb 0.40 -1.23 0.00 0.00 -1.02 0.00 0.00 32.46 30.61 3epk n ARG 227 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3epk n GLY 228 N 0.90 0.52 0.14 -0.13 0.00 -0.76 -5.02 105.19 100.84 3epk n GLY 228 Ca 0.10 -0.14 -0.18 0.00 0.00 0.00 0.00 46.02 45.80 3epk n GLY 228 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3epk h ALA 229 N 0.00 0.06 -0.72 4.61 0.00 -1.47 -3.24 119.26 118.49 3epk h ALA 229 Ca 0.00 -0.60 0.10 0.00 0.00 0.00 0.00 54.91 54.41 3epk h ALA 229 Cb 0.28 0.05 -0.05 0.00 0.00 0.00 0.00 17.79 18.07 3epk h ALA 229 CO 0.00 0.39 0.47 -0.07 0.00 0.00 0.00 179.25 180.04 3epk h LEU 230 N -0.08 0.54 -1.22 0.00 3.38 -1.88 0.19 115.31 116.24 3epk h LEU 230 Ca -0.09 0.01 0.04 0.00 0.09 0.00 0.00 57.88 57.94 3epk h LEU 230 Cb 1.40 -0.10 -0.05 0.00 0.09 0.00 0.00 40.66 42.00 3epk h LEU 230 CO 0.13 0.32 0.54 1.56 0.09 0.00 0.00 178.44 181.09 3epk h GLN 231 N 0.59 0.97 0.10 1.13 7.50 -1.93 0.28 115.11 123.74 3epk h GLN 231 Ca 0.33 -0.06 -0.27 0.00 0.50 0.00 0.00 58.65 59.15 3epk h GLN 231 Cb 0.50 -0.22 0.01 0.00 0.05 0.00 0.00 27.48 27.82 3epk h GLN 231 CO -0.11 0.64 -1.17 0.93 -1.50 0.00 0.00 178.83 177.62 3epk h GLU 232 N 1.00 0.44 -0.59 1.46 5.08 -0.85 -2.35 114.58 118.77 3epk h GLU 232 Ca 0.34 -0.60 -0.02 0.00 -1.00 0.00 0.00 59.36 58.08 3epk h GLU 232 Cb 0.08 0.20 -0.03 0.00 0.50 0.00 0.00 28.75 29.51 3epk h GLU 232 CO -0.11 1.25 0.29 0.82 -1.00 0.00 0.00 179.01 180.27 3epk h ILE 233 N 0.19 1.20 -0.41 3.13 2.04 0.22 0.10 117.51 123.98 3epk h ILE 233 Ca -0.14 -0.56 -0.13 0.00 1.00 0.00 0.00 64.86 65.03 3epk h ILE 233 Cb 1.85 0.49 -0.01 0.00 -0.74 0.00 0.00 36.82 38.41 3epk h ILE 233 CO 0.21 0.23 -0.25 0.11 0.00 0.00 0.00 178.15 178.45 3epk h LYS 234 N 0.80 0.90 -0.39 2.37 1.57 -0.54 0.72 116.57 121.99 3epk h LYS 234 Ca 0.20 -0.41 0.02 0.00 -1.87 0.00 0.00 60.65 58.59 3epk h LYS 234 Cb 0.09 -0.01 -0.03 0.00 0.08 0.00 0.00 32.23 32.36 3epk h LYS 234 CO -0.03 1.06 0.23 0.37 -0.57 0.00 0.00 179.45 180.52 3epk h GLN 235 N 0.72 0.46 -0.72 3.15 4.15 -1.20 0.46 115.11 122.12 3epk h GLN 235 Ca 0.09 -0.03 -0.00 0.00 0.77 0.00 0.00 58.65 59.48 3epk h GLN 235 Cb 0.82 -0.10 -0.04 0.00 0.21 0.00 0.00 27.48 28.37 3epk h GLN 235 CO 0.07 0.30 0.44 -0.07 -1.93 0.00 0.00 178.83 177.65 3epk h LEU 236 N 0.47 0.85 -0.87 -2.39 3.38 -0.54 -1.43 115.31 114.78 3epk h LEU 236 Ca 0.15 -0.04 -0.12 0.00 0.09 0.00 0.00 57.88 57.96 3epk h LEU 236 Cb 0.00 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.52 3epk h LEU 236 CO -0.07 0.65 -0.56 0.22 0.09 0.00 0.00 178.44 178.77 3epk h TYR 237 N 0.99 0.02 0.86 1.13 3.20 0.50 0.47 116.97 124.15 3epk h TYR 237 Ca 0.26 -0.01 -0.04 0.00 3.14 0.00 0.00 58.73 62.08 3epk h TYR 237 Cb -0.05 -0.00 0.01 0.00 1.54 0.00 0.00 36.73 38.22 3epk h TYR 237 CO 0.00 0.57 -0.41 1.49 -1.64 0.00 0.00 178.16 178.17 3epk h GLU 238 N 0.01 -1.11 -0.82 1.82 4.57 0.91 0.91 114.58 120.87 3epk h GLU 238 Ca -0.01 0.08 0.02 0.00 -1.18 0.00 0.00 59.36 58.27 3epk h GLU 238 Cb 0.99 0.25 -0.05 0.00 -0.16 0.00 0.00 28.75 29.79 3epk h GLU 238 CO 0.07 -0.73 0.53 -0.92 -1.18 0.00 0.00 179.01 176.78 3epk h TYR 239 N -1.25 1.00 -0.34 0.92 -0.00 -1.38 -1.70 116.97 114.23 3epk h TYR 239 Ca -0.12 0.03 0.05 0.00 -0.00 0.00 0.00 58.73 58.69 3epk h TYR 239 Cb 0.89 -0.34 -0.05 0.00 -0.00 0.00 0.00 36.73 37.24 3epk h TYR 239 CO -0.00 0.60 0.04 -0.92 -0.00 0.00 0.00 178.16 177.88 3epk h TYR 240 N 1.06 0.06 -3.23 -3.82 3.20 -0.65 -3.38 116.97 110.20 3epk h TYR 240 Ca 0.32 0.02 -0.33 0.00 3.14 0.00 0.00 58.73 61.88 3epk h TYR 240 Cb -0.05 0.02 0.15 0.00 1.54 0.00 0.00 36.73 38.39 3epk h TYR 240 CO -0.02 -0.01 0.22 0.43 -1.64 0.00 0.00 178.16 177.14 3epk n SER 241 N -5.12 -0.81 -3.53 -2.11 7.64 0.31 -3.60 113.62 106.40 3epk n SER 241 Ca 0.01 -1.22 -0.22 0.00 1.01 0.00 0.00 58.87 58.45 3epk n SER 241 Cb 0.16 -0.80 -0.04 0.00 -1.01 0.00 0.00 64.21 62.52 3epk n SER 241 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3epk n GLN 242 N -3.64 -2.02 0.00 1.43 10.64 -1.26 -4.47 117.38 118.07 3epk n GLN 242 Ca 0.13 0.13 0.00 0.00 -1.83 0.00 0.00 57.00 55.43 3epk n GLN 242 Cb 0.46 -4.69 0.00 0.00 -0.86 0.00 0.00 30.24 25.15 3epk n GLN 242 CO 0.00 0.00 0.00 -1.71 -1.83 0.00 0.00 177.06 173.52 3epk n ASN 243 N -2.04 0.00 -3.99 2.61 2.85 -1.24 -5.03 115.26 108.43 3epk n ASN 243 Ca 0.05 -1.00 -0.39 0.00 -0.11 0.00 0.00 54.58 53.13 3epk n ASN 243 Cb 0.48 0.00 0.01 0.00 1.24 0.00 0.00 39.78 41.51 3epk n ASN 243 CO 0.00 0.00 0.00 0.29 -2.11 0.00 0.00 177.26 175.44 3epk n LYS 244 N 0.00 -0.85 -3.76 1.20 5.02 -1.26 -4.95 118.16 113.56 3epk n LYS 244 Ca 0.00 0.21 -0.37 0.00 -2.02 0.00 0.00 58.31 56.13 3epk n LYS 244 Cb 0.34 -3.25 -0.07 0.00 -0.02 0.00 0.00 35.03 32.04 3epk n LYS 244 CO 0.00 0.00 0.00 -0.06 -0.52 0.00 0.00 177.40 176.82 3epk s PHE 245 N -3.65 3.56 0.14 2.13 2.99 -1.24 -5.10 117.98 116.81 3epk s PHE 245 Ca 0.39 0.55 0.03 0.00 0.00 0.00 0.00 56.93 57.90 3epk s PHE 245 Cb -0.19 -2.08 -0.04 0.00 0.00 0.00 0.00 43.02 40.71 3epk s PHE 245 CO 0.94 0.57 0.24 0.95 -0.00 0.00 0.00 175.22 177.92 3epk s THR 246 N -0.55 5.18 0.57 0.64 -4.23 -1.26 -4.95 115.64 111.04 3epk s THR 246 Ca 0.15 -0.71 0.26 0.00 -1.18 0.00 0.00 61.69 60.21 3epk s THR 246 Cb -0.12 -3.64 0.26 0.00 1.34 0.00 0.00 72.50 70.34 3epk s THR 246 CO 0.04 -0.05 1.79 1.55 -0.54 0.00 0.00 174.62 177.41 3epk h PRO 247 N 2.35 0.00 -0.03 3.99 0.13 -1.99 0.41 132.00 136.87 3epk h PRO 247 Ca -0.48 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 3epk h PRO 247 Cb 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 3epk h PRO 247 CO 0.69 0.00 0.00 -0.85 -0.23 0.00 0.00 178.00 177.61 3epk n GLU 248 N -2.75 1.09 0.05 0.86 0.28 -1.26 -2.45 120.64 116.46 3epk n GLU 248 Ca -0.02 -0.14 0.12 0.00 -0.16 0.00 0.00 57.16 56.96 3epk n GLU 248 Cb 0.39 -1.25 0.12 0.00 1.43 0.00 0.00 31.44 32.14 3epk n GLU 248 CO 0.00 0.00 0.00 0.94 -0.16 0.00 0.00 177.13 177.91 3epk n GLN 249 N -0.60 0.29 -0.22 3.44 -0.06 0.14 -4.24 117.38 116.13 3epk n GLN 249 Ca 0.12 0.06 0.00 0.00 -2.00 0.00 0.00 57.00 55.17 3epk n GLN 249 Cb 0.09 -1.65 0.00 0.00 -4.06 0.00 0.00 30.24 24.61 3epk n GLN 249 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 3epk n GLU 251 N 1.38 1.31 -4.34 0.00 1.02 -1.26 -4.26 120.64 114.49 3epk n GLU 251 Ca 0.00 -0.93 -0.19 0.00 -0.02 0.00 0.00 57.16 56.02 3epk n GLU 251 Cb 0.31 -0.78 -0.14 0.00 -0.02 0.00 0.00 31.44 30.82 3epk n GLU 251 CO 0.00 0.00 0.00 -0.80 1.18 0.00 0.00 177.13 177.51 3epk s ASN 252 N -0.47 1.38 0.14 1.62 -0.87 -0.88 -4.93 114.94 110.94 3epk s ASN 252 Ca 0.00 -0.36 0.00 0.00 -1.57 0.00 0.00 52.86 50.93 3epk s ASN 252 Cb 0.00 -0.10 0.00 0.00 -0.02 0.00 0.00 41.25 41.13 3epk s ASN 252 CO 0.00 0.04 0.00 0.61 -2.57 0.00 0.00 177.10 175.18 3epk n GLY 253 N 2.21 1.17 0.45 0.66 0.00 -1.26 -1.90 105.19 106.52 3epk n GLY 253 Ca -0.17 -0.44 0.26 0.00 0.00 0.00 0.00 46.02 45.67 3epk n GLY 253 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 3epk h VAL 254 N 0.00 0.58 0.00 1.61 2.07 -1.87 -0.59 116.25 118.05 3epk h VAL 254 Ca 0.00 -0.03 0.00 0.00 0.82 0.00 0.00 66.70 67.49 3epk h VAL 254 Cb 0.00 0.49 0.00 0.00 -1.52 0.00 0.00 31.29 30.26 3epk h VAL 254 CO 0.00 0.01 0.00 0.79 0.02 0.00 0.00 177.57 178.39 3epk n TRP 255 N -4.33 0.00 -0.06 1.57 7.02 -0.80 -0.96 117.44 119.88 3epk n TRP 255 Ca 0.18 0.00 -0.06 0.00 -1.02 0.00 0.00 57.50 56.60 3epk n TRP 255 Cb 0.90 0.00 -0.15 0.00 -2.42 0.00 0.00 31.31 29.64 3epk n TRP 255 CO 0.00 0.00 0.00 1.04 -2.02 0.00 0.00 177.69 176.71 3epk n GLN 256 N -0.95 0.67 -1.13 -0.99 6.02 -0.23 -4.21 117.38 116.56 3epk n GLN 256 Ca 0.00 0.03 -0.35 0.00 -0.01 0.00 0.00 57.00 56.67 3epk n GLN 256 Cb 0.00 -1.59 0.01 0.00 1.02 0.00 0.00 30.24 29.68 3epk n GLN 256 CO 0.00 0.00 0.00 1.55 -1.01 0.00 0.00 177.06 177.60 3epk n VAL 257 N -2.74 0.01 -3.05 5.09 3.14 -0.14 -4.86 118.33 115.78 3epk n VAL 257 Ca -0.25 -0.45 -0.44 0.00 -2.96 0.00 0.00 64.34 60.24 3epk n VAL 257 Cb 1.03 0.00 -0.04 0.00 -1.06 0.00 0.00 33.84 33.78 3epk n VAL 257 CO 0.00 0.00 0.00 -0.63 -6.46 0.00 0.00 176.83 169.74 3epk s ILE 258 N -1.81 4.77 0.00 1.55 1.01 -1.26 -3.95 121.20 121.51 3epk s ILE 258 Ca 0.52 -1.08 0.00 0.00 0.00 0.00 0.00 60.65 60.08 3epk s ILE 258 Cb -0.45 -4.58 0.00 0.00 0.01 0.00 0.00 42.46 37.44 3epk s ILE 258 CO 0.60 -1.25 0.00 0.61 0.00 0.00 0.00 174.94 174.89 3epk n GLY 259 N 5.22 0.06 0.28 6.18 0.00 -1.26 -4.88 105.19 110.79 3epk n GLY 259 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.01 3epk n GLY 259 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 3epk n PHE 260 N 0.00 0.00 -0.19 1.61 7.35 -1.25 -4.67 117.46 120.31 3epk n PHE 260 Ca 0.00 0.00 0.30 0.00 -0.76 0.00 0.00 57.45 56.99 3epk n PHE 260 Cb 0.00 0.00 0.66 0.00 0.35 0.00 0.00 39.48 40.49 3epk n PHE 260 CO 0.00 0.00 0.00 1.57 -0.76 0.00 0.00 176.76 177.57 3epk h LYS 261 N 0.00 0.00 -0.11 -4.13 2.10 -1.85 0.28 116.57 112.87 3epk h LYS 261 Ca 0.00 0.00 -0.07 0.00 -2.00 0.00 0.00 60.65 58.58 3epk h LYS 261 Cb 0.00 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.32 3epk h LYS 261 CO 0.00 0.00 -0.25 0.93 -2.00 0.00 0.00 179.45 178.13 3epk h GLU 262 N 0.00 0.18 -0.02 0.07 3.07 -1.88 -2.80 114.58 113.20 3epk h GLU 262 Ca 0.46 -0.06 0.00 0.00 -0.50 0.00 0.00 59.36 59.26 3epk h GLU 262 Cb 2.23 -0.02 0.00 0.00 -0.84 0.00 0.00 28.75 30.12 3epk h GLU 262 CO -0.00 0.43 -0.29 1.19 -1.40 0.00 0.00 179.01 178.94 3epk n PHE 263 N -4.18 0.00 -0.26 4.33 3.01 0.97 -4.52 117.46 116.80 3epk n PHE 263 Ca -0.01 0.00 0.07 0.00 1.01 0.00 0.00 57.45 58.52 3epk n PHE 263 Cb 0.35 -0.03 0.20 0.00 -0.01 0.00 0.00 39.48 39.98 3epk n PHE 263 CO 0.00 0.00 0.00 1.25 1.01 0.00 0.00 176.76 179.02 3epk h LEU 264 N 2.45 -0.04 -1.94 4.37 5.85 -1.30 0.24 115.31 124.94 3epk h LEU 264 Ca 0.00 0.16 -0.02 0.00 0.84 0.00 0.00 57.88 58.86 3epk h LEU 264 Cb 0.70 0.23 -0.00 0.00 0.37 0.00 0.00 40.66 41.95 3epk h LEU 264 CO 0.00 -0.08 -0.12 1.55 -0.34 0.00 0.00 178.44 179.46 3epk h PRO 265 N 0.24 0.00 -0.13 5.25 0.13 -1.80 -0.34 132.00 135.36 3epk h PRO 265 Ca 0.44 0.00 -0.22 0.00 -0.87 0.00 0.00 66.00 65.35 3epk h PRO 265 Cb 0.78 0.00 0.01 0.00 0.13 0.00 0.00 31.00 31.92 3epk h PRO 265 CO -0.56 0.12 -0.77 2.35 -0.23 0.00 0.00 178.00 178.91 3epk h TRP 266 N 0.00 1.02 -0.01 1.56 7.01 -0.88 -2.47 115.95 122.17 3epk h TRP 266 Ca -0.00 -0.46 0.00 0.00 2.11 0.00 0.00 58.89 60.54 3epk h TRP 266 Cb 0.27 -0.15 0.00 0.00 -2.10 0.00 0.00 29.16 27.18 3epk h TRP 266 CO 0.00 1.29 0.00 1.28 -2.79 0.00 0.00 178.44 178.22 3epk n LEU 267 N -3.98 0.06 -3.05 0.65 4.77 -0.56 -5.03 117.00 109.86 3epk n LEU 267 Ca -0.08 -0.03 -0.22 0.00 -0.03 0.00 0.00 56.01 55.65 3epk n LEU 267 Cb 0.74 -0.00 0.03 0.00 -2.33 0.00 0.00 43.42 41.85 3epk n LEU 267 CO 0.52 0.01 -0.02 0.41 -1.33 0.00 0.00 177.39 176.98 3epk n THR 268 N -0.68 -1.75 0.00 -5.08 -1.04 -0.20 -5.05 114.28 100.48 3epk n THR 268 Ca 0.11 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.12 3epk n THR 268 Cb 0.06 -3.11 0.00 0.00 -1.82 0.00 0.00 70.33 65.46 3epk n THR 268 CO 0.00 0.00 0.00 0.52 -0.64 0.00 0.00 175.07 174.95 3epk n VAL 276 N -4.37 0.00 -0.09 12.58 0.31 -1.26 -4.55 118.33 120.95 3epk n VAL 276 Ca -0.10 0.00 -0.11 0.00 -0.01 0.00 0.00 64.34 64.12 3epk n VAL 276 Cb 0.61 0.00 -0.11 0.00 -0.91 0.00 0.00 33.84 33.42 3epk n VAL 276 CO 0.00 0.00 0.00 1.17 -1.32 0.00 0.00 176.83 176.68 3epk n LYS 277 N 0.00 0.92 -0.08 5.55 4.81 -1.26 -4.38 118.16 123.72 3epk n LYS 277 Ca 0.00 0.06 0.17 0.00 -0.87 0.00 0.00 58.31 57.66 3epk n LYS 277 Cb 0.00 -1.42 0.58 0.00 0.02 0.00 0.00 35.03 34.21 3epk n LYS 277 CO 0.00 0.00 0.00 1.25 1.17 0.00 0.00 177.40 179.82 3epk h LEU 278 N 0.00 0.22 -0.43 3.14 5.85 -1.99 -0.98 115.31 121.12 3epk h LEU 278 Ca -0.46 0.01 -0.00 0.00 0.84 0.00 0.00 57.88 58.27 3epk h LEU 278 Cb 1.87 -0.03 -0.02 0.00 0.37 0.00 0.00 40.66 42.85 3epk h LEU 278 CO -0.02 0.12 0.25 -0.33 -0.34 0.00 0.00 178.44 178.12 3epk h GLU 279 N 0.24 0.58 -0.66 1.25 5.08 -2.00 -1.90 114.58 117.17 3epk h GLU 279 Ca 0.30 -0.06 -0.03 0.00 -1.00 0.00 0.00 59.36 58.57 3epk h GLU 279 Cb 0.85 -0.12 -0.03 0.00 0.50 0.00 0.00 28.75 29.95 3epk h GLU 279 CO -0.06 0.44 0.28 -0.44 -1.00 0.00 0.00 179.01 178.23 3epk h ASP 280 N 0.56 0.87 0.56 1.42 5.19 -1.42 -0.18 116.42 123.42 3epk h ASP 280 Ca 0.15 -0.11 -0.02 0.00 -0.62 0.00 0.00 57.03 56.43 3epk h ASP 280 Cb 0.01 -0.22 -0.00 0.00 0.18 0.00 0.00 39.33 39.29 3epk h ASP 280 CO -0.03 0.76 -0.09 0.00 -3.12 0.00 0.00 179.24 176.76 3epk h ILE 282 N 0.00 1.56 0.00 0.00 2.04 -0.37 -2.74 117.51 118.00 3epk h ILE 282 Ca -0.00 -2.50 -0.03 0.00 1.00 0.00 0.00 64.86 63.32 3epk h ILE 282 Cb 0.40 3.24 -0.00 0.00 -0.74 0.00 0.00 36.82 39.71 3epk h ILE 282 CO 0.01 0.70 -0.16 -0.33 0.00 0.00 0.00 178.15 178.37 3epk h GLU 283 N -0.49 0.00 -0.21 2.37 4.39 -0.67 0.91 114.58 120.88 3epk h GLU 283 Ca -0.12 0.00 -0.14 0.00 0.34 0.00 0.00 59.36 59.45 3epk h GLU 283 Cb 1.53 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 30.17 3epk h GLU 283 CO 0.12 0.16 -0.44 -0.09 -1.16 0.00 0.00 179.01 177.60 3epk h ARG 284 N 0.00 0.52 -0.20 2.33 9.65 -0.87 -2.20 114.38 123.60 3epk h ARG 284 Ca -0.00 -0.28 -0.16 0.00 -1.10 0.00 0.00 59.98 58.44 3epk h ARG 284 Cb 0.30 0.01 0.00 0.00 -1.39 0.00 0.00 29.97 28.90 3epk h ARG 284 CO 0.02 0.86 -0.50 1.98 2.80 0.00 0.00 179.97 185.14 3epk h MET 285 N 0.42 0.70 -0.06 0.20 4.05 -0.78 -2.10 114.93 117.36 3epk h MET 285 Ca 0.03 -0.48 0.02 0.00 -0.28 0.00 0.00 59.70 58.99 3epk h MET 285 Cb 0.94 0.07 -0.00 0.00 -0.80 0.00 0.00 31.60 31.81 3epk h MET 285 CO 0.08 1.10 0.06 0.87 0.23 0.00 0.00 176.91 179.25 3epk h LYS 286 N 0.40 0.00 0.04 0.39 1.57 -0.71 -1.61 116.57 116.65 3epk h LYS 286 Ca -0.00 0.00 -0.07 0.00 -1.87 0.00 0.00 60.65 58.71 3epk h LYS 286 Cb 1.11 0.00 0.01 0.00 0.08 0.00 0.00 32.23 33.43 3epk h LYS 286 CO 0.11 0.00 -0.29 1.15 -0.57 0.00 0.00 179.45 179.85 3epk h THR 287 N 0.00 1.64 -0.95 -0.16 2.02 -1.11 -2.64 112.91 111.71 3epk h THR 287 Ca 0.03 -2.26 0.07 0.00 0.77 0.00 0.00 66.41 65.02 3epk h THR 287 Cb 0.15 3.14 -0.06 0.00 -1.74 0.00 0.00 68.15 69.64 3epk h THR 287 CO -0.00 0.61 0.61 0.03 0.37 0.00 0.00 175.52 177.15 3epk h ARG 288 N -0.68 1.05 0.11 6.66 2.47 -0.79 0.11 114.38 123.31 3epk h ARG 288 Ca -0.05 -0.06 -0.01 0.00 -1.26 0.00 0.00 59.98 58.60 3epk h ARG 288 Cb 1.16 -0.24 0.00 0.00 -1.65 0.00 0.00 29.97 29.25 3epk h ARG 288 CO 0.05 0.69 -0.05 1.15 0.56 0.00 0.00 179.97 182.37 3epk h THR 289 N 1.08 1.03 -0.30 2.04 2.02 -1.40 0.12 112.91 117.50 3epk h THR 289 Ca 0.41 -0.57 0.06 0.00 0.77 0.00 0.00 66.41 67.08 3epk h THR 289 Cb 0.21 1.39 -0.06 0.00 -1.74 0.00 0.00 68.15 67.96 3epk h THR 289 CO -0.16 0.14 -0.09 -0.09 0.37 0.00 0.00 175.52 175.69 3epk h ARG 290 N -0.42 -0.02 -0.23 6.66 2.43 -1.00 -0.70 114.38 121.10 3epk h ARG 290 Ca -0.02 0.00 0.02 0.00 -0.81 0.00 0.00 59.98 59.18 3epk h ARG 290 Cb 0.34 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 29.87 3epk h ARG 290 CO 0.03 -0.01 0.09 1.96 -1.51 0.00 0.00 179.97 180.52 3epk h GLN 291 N -0.02 0.19 -0.71 0.20 4.20 -0.74 -2.14 115.11 116.09 3epk h GLN 291 Ca 0.15 -0.01 0.11 0.00 0.06 0.00 0.00 58.65 58.95 3epk h GLN 291 Cb 0.24 -0.04 -0.08 0.00 0.30 0.00 0.00 27.48 27.90 3epk h GLN 291 CO -0.32 0.13 0.33 -0.92 -0.67 0.00 0.00 178.83 177.38 3epk h TYR 292 N 0.20 0.58 -0.56 2.96 3.20 -0.28 0.74 116.97 123.81 3epk h TYR 292 Ca 0.10 0.03 0.02 0.00 3.14 0.00 0.00 58.73 62.02 3epk h TYR 292 Cb 0.06 -0.15 -0.03 0.00 1.54 0.00 0.00 36.73 38.14 3epk h TYR 292 CO -0.12 0.17 0.35 0.00 -1.64 0.00 0.00 178.16 176.93 3epk h ALA 293 N 1.46 0.72 -0.60 1.82 0.00 -0.69 0.84 119.26 122.81 3epk h ALA 293 Ca 0.36 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 55.21 3epk h ALA 293 Cb 0.44 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 18.02 3epk h ALA 293 CO -0.31 0.10 0.23 0.87 0.00 0.00 0.00 179.25 180.14 3epk h LYS 294 N 0.71 0.90 -0.67 0.00 1.57 -0.48 -2.50 116.57 116.10 3epk h LYS 294 Ca 0.22 -0.17 -0.05 0.00 -1.87 0.00 0.00 60.65 58.78 3epk h LYS 294 Cb -0.02 -0.14 -0.03 0.00 0.08 0.00 0.00 32.23 32.11 3epk h LYS 294 CO -0.08 0.78 0.22 0.00 -0.57 0.00 0.00 179.45 179.80 3epk h ARG 295 N 0.84 1.01 0.12 3.15 3.08 -0.49 -2.74 114.38 119.35 3epk h ARG 295 Ca 0.20 -0.20 0.01 0.00 0.07 0.00 0.00 59.98 60.06 3epk h ARG 295 Cb 0.22 -0.16 -0.02 0.00 0.08 0.00 0.00 29.97 30.10 3epk h ARG 295 CO -0.01 0.86 -0.16 1.96 -1.07 0.00 0.00 179.97 181.55 3epk h GLN 296 N 0.98 -0.32 -0.96 0.04 4.20 -0.40 -1.15 115.11 117.50 3epk h GLN 296 Ca 0.22 0.02 0.09 0.00 0.06 0.00 0.00 58.65 59.04 3epk h GLN 296 Cb 0.26 0.07 -0.07 0.00 0.30 0.00 0.00 27.48 28.05 3epk h GLN 296 CO -0.01 -0.21 0.62 0.28 -0.67 0.00 0.00 178.83 178.84 3epk h VAL 297 N -0.33 1.01 -0.72 -0.54 2.07 -1.40 -0.86 116.25 115.48 3epk h VAL 297 Ca 0.01 -0.35 0.00 0.00 0.82 0.00 0.00 66.70 67.18 3epk h VAL 297 Cb 0.33 -0.11 -0.04 0.00 -1.52 0.00 0.00 31.29 29.95 3epk h VAL 297 CO -0.07 0.19 0.47 0.11 0.02 0.00 0.00 177.57 178.29 3epk h LYS 298 N 1.03 0.96 -0.39 1.57 1.57 -1.10 -0.69 116.57 119.53 3epk h LYS 298 Ca 0.44 -0.07 -0.04 0.00 -1.87 0.00 0.00 60.65 59.11 3epk h LYS 298 Cb 0.32 -0.21 -0.02 0.00 0.08 0.00 0.00 32.23 32.40 3epk h LYS 298 CO -0.19 0.65 0.10 2.35 -0.57 0.00 0.00 179.45 181.79 3epk h TRP 299 N 0.98 0.65 -0.02 -1.35 2.91 0.03 0.14 115.95 119.29 3epk h TRP 299 Ca 0.26 -0.08 -0.05 0.00 1.13 0.00 0.00 58.89 60.16 3epk h TRP 299 Cb -0.09 -0.18 -0.01 0.00 -0.51 0.00 0.00 29.16 28.37 3epk h TRP 299 CO -0.02 0.63 -0.23 0.82 -1.03 0.00 0.00 178.44 178.62 3epk h ILE 300 N 0.48 1.17 0.00 2.65 2.04 -0.93 0.55 117.51 123.47 3epk h ILE 300 Ca 0.12 -0.81 -0.19 0.00 1.00 0.00 0.00 64.86 64.98 3epk h ILE 300 Cb 0.31 1.42 -0.03 0.00 -0.74 0.00 0.00 36.82 37.77 3epk h ILE 300 CO 0.00 0.24 -1.62 0.29 0.00 0.00 0.00 178.15 177.06 3epk n LYS 301 N -4.26 0.63 -0.01 2.37 5.02 -0.29 -1.63 118.16 119.99 3epk n LYS 301 Ca -0.02 0.16 0.05 0.00 -2.02 0.00 0.00 58.31 56.48 3epk n LYS 301 Cb 0.29 -1.74 -0.10 0.00 -0.02 0.00 0.00 35.03 33.46 3epk n LYS 301 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 3epk n LYS 302 N -2.83 0.55 -0.00 1.97 5.02 0.45 -4.19 118.16 119.13 3epk n LYS 302 Ca -0.13 -0.10 -0.00 0.00 -2.02 0.00 0.00 58.31 56.06 3epk n LYS 302 Cb 0.88 -1.30 -0.00 0.00 -0.02 0.00 0.00 35.03 34.59 3epk n LYS 302 CO 0.00 0.00 0.00 -1.33 -0.52 0.00 0.00 177.40 175.55 3epk n MET 303 N -1.99 0.01 0.06 1.97 2.81 0.18 -4.66 117.12 115.50 3epk n MET 303 Ca -0.04 0.00 -0.04 0.00 -1.81 0.00 0.00 57.70 55.81 3epk n MET 303 Cb 0.38 -0.28 -0.02 0.00 -0.71 0.00 0.00 33.22 32.59 3epk n MET 303 CO 0.00 0.00 0.00 1.25 1.51 0.00 0.00 175.97 178.73 3epk h LEU 304 N -0.01 -0.36 -0.33 4.03 5.85 -1.35 -1.78 115.31 121.36 3epk h LEU 304 Ca 0.00 0.03 0.06 0.00 0.84 0.00 0.00 57.88 58.81 3epk h LEU 304 Cb 0.01 0.13 -0.08 0.00 0.37 0.00 0.00 40.66 41.09 3epk h LEU 304 CO 0.00 -0.16 -0.47 0.40 -0.34 0.00 0.00 178.44 177.87 3epk h ILE 305 N -0.23 0.08 -0.84 4.05 2.04 -1.56 -1.41 117.51 119.63 3epk h ILE 305 Ca -0.01 0.00 0.13 0.00 1.00 0.00 0.00 64.86 65.98 3epk h ILE 305 Cb 0.21 0.08 -0.09 0.00 -0.74 0.00 0.00 36.82 36.27 3epk h ILE 305 CO -0.04 0.00 0.44 -0.65 0.00 0.00 0.00 178.15 177.90 3epk h PRO 306 N -0.40 0.63 -0.73 2.37 0.11 -1.80 0.45 132.00 132.64 3epk h PRO 306 Ca 0.10 -0.04 -0.03 0.00 0.11 0.00 0.00 66.00 66.14 3epk h PRO 306 Cb 0.61 -0.14 -0.03 0.00 0.11 0.00 0.00 31.00 31.54 3epk h PRO 306 CO -0.53 0.42 0.32 -0.44 -0.21 0.00 0.00 178.00 177.55 3epk h ASP 307 N 0.65 0.96 -0.58 -2.05 3.45 -0.43 -2.42 116.42 116.01 3epk h ASP 307 Ca 0.45 -0.12 -0.24 0.00 0.43 0.00 0.00 57.03 57.54 3epk h ASP 307 Cb 0.59 -0.25 -0.14 0.00 -0.56 0.00 0.00 39.33 38.97 3epk h ASP 307 CO -0.34 0.84 0.30 2.30 -1.57 0.00 0.00 179.24 180.77 3epk n ILE 308 N -4.31 2.30 -1.19 0.35 -5.35 -0.62 -4.88 119.36 105.66 3epk n ILE 308 Ca 0.07 -1.18 -0.10 0.00 -0.27 0.00 0.00 62.75 61.26 3epk n ILE 308 Cb 0.16 -0.55 -0.04 0.00 -1.74 0.00 0.00 39.64 37.46 3epk n ILE 308 CO 0.00 0.00 0.00 0.29 -1.76 0.00 0.00 176.55 175.08 3epk n LYS 309 N -0.29 -1.48 -1.45 6.28 4.01 -0.91 -1.52 118.16 122.81 3epk n LYS 309 Ca 0.34 0.66 0.00 0.00 -0.51 0.00 0.00 58.31 58.80 3epk n LYS 309 Cb 1.17 -4.79 0.00 0.00 -0.51 0.00 0.00 35.03 30.90 3epk n LYS 309 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 3epk n GLY 310 N -0.02 0.48 3.36 0.72 0.00 0.07 -4.99 105.19 104.81 3epk n GLY 310 Ca -0.10 -0.90 -0.44 0.00 0.00 0.00 0.00 46.02 44.58 3epk n GLY 310 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3epk n ASP 311 N 1.83 5.39 -3.80 1.61 2.03 -0.58 -4.96 116.55 118.08 3epk n ASP 311 Ca 0.00 -3.03 -0.12 0.00 0.52 0.00 0.00 54.79 52.16 3epk n ASP 311 Cb 0.26 -1.48 -0.09 0.00 -0.72 0.00 0.00 41.12 39.10 3epk n ASP 311 CO 0.00 0.00 0.00 -0.51 -1.92 0.00 0.00 177.20 174.77 3epk s ILE 312 N 0.21 0.07 -0.10 5.18 2.07 -1.26 -4.34 121.20 123.03 3epk s ILE 312 Ca 0.38 -0.60 0.03 0.00 -1.41 0.00 0.00 60.65 59.04 3epk s ILE 312 Cb -0.04 -0.63 -0.01 0.00 0.13 0.00 0.00 42.46 41.90 3epk s ILE 312 CO -0.02 -0.33 -0.19 -0.31 -1.91 0.00 0.00 174.94 172.18 3epk s TYR 313 N -1.61 2.66 0.34 3.50 1.51 -0.74 -4.89 117.35 118.11 3epk s TYR 313 Ca -0.12 -0.73 -0.13 0.00 -1.01 0.00 0.00 57.07 55.08 3epk s TYR 313 Cb -0.05 -1.74 -0.08 0.00 -0.11 0.00 0.00 41.96 39.98 3epk s TYR 313 CO 0.02 -0.24 0.72 -0.51 -1.11 0.00 0.00 175.55 174.43 3epk s LEU 314 N 0.15 4.00 -0.24 -1.29 1.43 -0.69 -1.22 118.68 120.83 3epk s LEU 314 Ca -0.10 1.17 -0.03 0.00 -1.03 0.00 0.00 54.13 54.14 3epk s LEU 314 Cb -0.16 -4.00 0.08 0.00 0.03 0.00 0.00 46.19 42.14 3epk s LEU 314 CO 0.06 -0.25 0.09 -0.76 0.23 0.00 0.00 176.35 175.71 3epk s LEU 315 N -3.25 0.99 -0.20 1.79 1.43 0.38 -4.63 118.68 115.20 3epk s LEU 315 Ca 0.52 -1.05 -0.29 0.00 -1.03 0.00 0.00 54.13 52.28 3epk s LEU 315 Cb -0.10 -0.49 -0.03 0.00 0.03 0.00 0.00 46.19 45.59 3epk s LEU 315 CO 0.23 -0.37 1.71 -0.62 0.23 0.00 0.00 176.35 177.53 3epk s ASP 316 N 1.95 6.28 -0.24 2.29 -1.08 -1.26 -1.81 116.67 122.80 3epk s ASP 316 Ca 0.04 1.74 0.11 0.00 -0.52 0.00 0.00 52.55 53.93 3epk s ASP 316 Cb -0.17 -2.53 0.45 0.00 -1.46 0.00 0.00 42.92 39.22 3epk s ASP 316 CO -0.19 -1.32 1.19 0.00 0.52 0.00 0.00 175.17 175.36 3epk n ALA 317 N 8.73 4.15 0.09 3.66 0.00 0.22 -4.40 120.51 132.96 3epk n ALA 317 Ca 0.20 -3.43 -0.20 0.00 0.00 0.00 0.00 53.44 50.01 3epk n ALA 317 Cb 0.45 -0.42 -0.15 0.00 0.00 0.00 0.00 19.45 19.33 3epk n ALA 317 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 3epk h THR 318 N 2.52 1.17 -3.61 0.00 2.02 -1.89 -3.40 112.91 109.71 3epk h THR 318 Ca 0.16 -2.73 -0.77 0.00 0.77 0.00 0.00 66.41 63.84 3epk h THR 318 Cb 1.37 2.85 -0.29 0.00 -1.74 0.00 0.00 68.15 70.33 3epk h THR 318 CO 0.41 0.84 0.15 -0.62 0.37 0.00 0.00 175.52 176.67 3epk s ASP 319 N -7.22 6.67 0.49 4.18 2.15 -1.26 -4.90 116.67 116.78 3epk s ASP 319 Ca -0.10 -3.24 0.29 0.00 0.43 0.00 0.00 52.55 49.93 3epk s ASP 319 Cb 0.06 -2.12 1.38 0.00 -0.30 0.00 0.00 42.92 41.94 3epk s ASP 319 CO 0.88 -0.37 1.81 -0.07 -0.17 0.00 0.00 175.17 177.25 3epk h LEU 320 N 6.96 0.16 -1.98 -1.34 3.38 -1.96 0.70 115.31 121.23 3epk h LEU 320 Ca 0.13 0.03 0.05 0.00 0.09 0.00 0.00 57.88 58.18 3epk h LEU 320 Cb 0.93 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.67 3epk h LEU 320 CO 0.86 0.03 0.38 0.77 0.09 0.00 0.00 178.44 180.58 3epk h SER 321 N 0.14 0.00 0.00 -0.43 4.64 -1.98 -3.22 113.55 112.70 3epk h SER 321 Ca 0.54 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.86 3epk h SER 321 Cb 1.87 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.96 3epk h SER 321 CO -0.11 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 175.85 3epk n GLN 322 N -3.25 0.00 0.00 4.77 1.13 0.24 -4.85 117.38 115.42 3epk n GLN 322 Ca 0.02 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.08 3epk n GLN 322 Cb 0.48 -0.01 0.00 0.00 0.11 0.00 0.00 30.24 30.82 3epk n GLN 322 CO 0.00 0.00 0.00 1.87 -1.44 0.00 0.00 177.06 177.49 3epk n TRP 323 N -0.13 0.00 -0.35 1.08 -0.00 -1.17 -4.06 117.44 112.81 3epk n TRP 323 Ca 0.00 0.00 0.10 0.00 -0.00 0.00 0.00 57.50 57.60 3epk n TRP 323 Cb 0.00 0.00 0.27 0.00 -0.00 0.00 0.00 31.31 31.58 3epk n TRP 323 CO 0.00 0.00 0.00 0.22 -0.00 0.00 0.00 177.69 177.91 3epk h ASP 324 N 0.00 0.82 0.00 5.87 3.58 -1.89 0.90 116.42 125.70 3epk h ASP 324 Ca 0.00 0.08 -0.05 0.00 0.42 0.00 0.00 57.03 57.47 3epk h ASP 324 Cb 0.00 -0.08 -0.01 0.00 1.72 0.00 0.00 39.33 40.96 3epk h ASP 324 CO 0.00 0.36 -0.36 0.74 -2.88 0.00 0.00 179.24 177.11 3epk h THR 325 N 0.85 0.96 0.00 2.25 2.02 -1.96 -0.67 112.91 116.35 3epk h THR 325 Ca 0.53 -1.83 -0.11 0.00 0.77 0.00 0.00 66.41 65.77 3epk h THR 325 Cb 0.69 1.93 -0.02 0.00 -1.74 0.00 0.00 68.15 69.01 3epk h THR 325 CO -0.33 0.32 -0.52 0.78 0.37 0.00 0.00 175.52 176.14 3epk h ASN 326 N -1.00 0.00 0.00 4.18 2.35 -1.83 -3.25 115.58 116.03 3epk h ASN 326 Ca -0.08 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.67 3epk h ASN 326 Cb 0.78 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.15 3epk h ASN 326 CO -0.05 0.52 0.00 0.00 -1.65 0.00 0.00 177.43 176.25 3epk n ALA 327 N -2.33 0.69 -0.10 -0.83 0.00 0.30 -4.26 120.51 113.98 3epk n ALA 327 Ca -0.00 0.00 -0.03 0.00 0.00 0.00 0.00 53.44 53.41 3epk n ALA 327 Cb 0.61 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 20.03 3epk n ALA 327 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 3epk n SER 328 N -1.24 -0.26 0.18 0.00 7.64 -0.62 -0.36 113.62 118.96 3epk n SER 328 Ca 0.00 1.05 -0.15 0.00 1.01 0.00 0.00 58.87 60.79 3epk n SER 328 Cb 0.00 -0.36 -0.07 0.00 -1.01 0.00 0.00 64.21 62.77 3epk n SER 328 CO 0.00 0.00 0.00 1.56 -3.01 0.00 0.00 175.04 173.59 3epk h GLN 329 N 0.00 -0.62 -0.54 1.43 4.20 -1.27 -0.17 115.11 118.14 3epk h GLN 329 Ca 0.04 0.04 0.10 0.00 0.06 0.00 0.00 58.65 58.90 3epk h GLN 329 Cb 0.10 0.14 -0.08 0.00 0.30 0.00 0.00 27.48 27.94 3epk h GLN 329 CO -0.23 -0.41 0.06 -0.09 -0.67 0.00 0.00 178.83 177.48 3epk h ARG 330 N -0.64 0.17 0.52 1.46 2.43 -1.48 0.63 114.38 117.47 3epk h ARG 330 Ca -0.00 -0.01 -0.02 0.00 -0.81 0.00 0.00 59.98 59.13 3epk h ARG 330 Cb 0.61 -0.04 0.00 0.00 -0.42 0.00 0.00 29.97 30.12 3epk h ARG 330 CO -0.10 0.12 -0.26 0.00 -1.51 0.00 0.00 179.97 178.21 3epk h ALA 331 N 1.46 -0.72 -0.81 2.80 0.00 -0.48 -0.49 119.26 121.02 3epk h ALA 331 Ca 0.28 -0.15 0.12 0.00 0.00 0.00 0.00 54.91 55.15 3epk h ALA 331 Cb 0.42 0.29 -0.08 0.00 0.00 0.00 0.00 17.79 18.42 3epk h ALA 331 CO -0.41 -0.91 0.42 0.82 0.00 0.00 0.00 179.25 179.18 3epk h ILE 332 N -0.72 0.80 0.26 0.00 2.04 -0.29 0.62 117.51 120.22 3epk h ILE 332 Ca -0.07 -0.23 0.00 0.00 1.00 0.00 0.00 64.86 65.57 3epk h ILE 332 Cb 0.56 0.09 -0.02 0.00 -0.74 0.00 0.00 36.82 36.70 3epk h ILE 332 CO 0.11 0.12 -0.28 0.00 0.00 0.00 0.00 178.15 178.09 3epk h ALA 333 N 1.50 -0.58 -0.19 1.87 0.00 0.67 0.34 119.26 122.87 3epk h ALA 333 Ca 0.42 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 55.24 3epk h ALA 333 Cb 0.50 0.42 -0.01 0.00 0.00 0.00 0.00 17.79 18.70 3epk h ALA 333 CO -0.31 -0.86 0.09 0.82 0.00 0.00 0.00 179.25 178.99 3epk h ILE 334 N -0.58 1.14 -0.98 0.00 2.04 -0.22 -2.92 117.51 115.99 3epk h ILE 334 Ca -0.00 -0.40 0.06 0.00 1.00 0.00 0.00 64.86 65.51 3epk h ILE 334 Cb 0.55 1.05 -0.06 0.00 -0.74 0.00 0.00 36.82 37.62 3epk h ILE 334 CO -0.07 0.13 0.63 0.28 0.00 0.00 0.00 178.15 179.12 3epk h SER 335 N 0.18 1.01 0.15 1.72 0.02 0.46 0.02 113.55 117.11 3epk h SER 335 Ca 0.07 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 61.02 3epk h SER 335 Cb 0.13 -0.21 -0.01 0.00 0.14 0.00 0.00 62.40 62.45 3epk h SER 335 CO -0.01 0.65 -0.12 -1.13 -1.14 0.00 0.00 176.83 175.09 3epk h ASN 336 N 1.15 -0.31 -0.65 3.07 -1.24 -0.18 0.48 115.58 117.90 3epk h ASN 336 Ca 0.42 0.03 -0.07 0.00 0.71 0.00 0.00 56.30 57.38 3epk h ASN 336 Cb 0.15 0.10 -0.03 0.00 0.73 0.00 0.00 38.32 39.28 3epk h ASN 336 CO -0.16 -0.19 0.13 0.44 -1.29 0.00 0.00 177.43 176.36 3epk h ASP 337 N -0.28 1.03 0.50 1.15 3.45 -1.27 -1.63 116.42 119.37 3epk h ASP 337 Ca -0.00 -0.23 -0.01 0.00 0.43 0.00 0.00 57.03 57.21 3epk h ASP 337 Cb 0.25 -0.27 -0.02 0.00 -0.56 0.00 0.00 39.33 38.74 3epk h ASP 337 CO -0.01 1.01 -0.41 0.15 -1.57 0.00 0.00 179.24 178.40 3epk h PHE 338 N 1.02 -1.12 0.00 4.55 3.57 -0.60 -1.73 116.94 122.62 3epk h PHE 338 Ca 0.21 0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.71 3epk h PHE 338 Cb 0.40 0.43 -0.00 0.00 2.79 0.00 0.00 35.95 39.57 3epk h PHE 338 CO 0.03 -0.59 -0.01 0.82 -2.23 0.00 0.00 178.31 176.34 3epk h ILE 339 N -0.90 0.95 -0.05 1.41 2.04 -0.87 -0.77 117.51 119.31 3epk h ILE 339 Ca -0.05 -0.02 -0.01 0.00 1.00 0.00 0.00 64.86 65.78 3epk h ILE 339 Cb 0.78 1.01 -0.01 0.00 -0.74 0.00 0.00 36.82 37.86 3epk h ILE 339 CO -0.02 0.01 0.01 -1.20 0.00 0.00 0.00 178.15 176.95 3epk n SER 340 N -4.46 1.79 -4.38 1.72 7.64 -0.62 -4.83 113.62 110.47 3epk n SER 340 Ca -0.03 -2.08 -0.36 0.00 1.01 0.00 0.00 58.87 57.41 3epk n SER 340 Cb 0.09 -0.52 -0.08 0.00 -1.01 0.00 0.00 64.21 62.70 3epk n SER 340 CO 0.00 0.00 0.00 -3.20 -3.01 0.00 0.00 175.04 168.83 3epk n ASN 341 N 0.13 -0.80 -4.32 6.43 2.85 -0.30 -4.93 115.26 114.33 3epk n ASN 341 Ca 0.03 -1.22 -0.24 0.00 -0.11 0.00 0.00 54.58 53.03 3epk n ASN 341 Cb 0.39 -1.82 -0.12 0.00 1.24 0.00 0.00 39.78 39.46 3epk n ASN 341 CO 0.00 0.00 0.00 -0.13 -2.11 0.00 0.00 177.26 175.02 3epk s ARG 342 N -7.22 1.21 0.03 1.20 0.52 -0.71 -5.06 118.95 108.92 3epk s ARG 342 Ca 0.44 -1.25 -0.30 0.00 -0.52 0.00 0.00 55.73 54.10 3epk s ARG 342 Cb -0.26 -1.48 -0.07 0.00 0.52 0.00 0.00 34.95 33.66 3epk s ARG 342 CO 1.00 0.34 1.57 -1.25 0.02 0.00 0.00 175.30 176.98 3epk s PRO 343 N -2.13 4.22 0.19 3.54 0.04 -1.26 -4.22 135.00 135.38 3epk s PRO 343 Ca 0.10 2.19 -0.32 0.00 0.04 0.00 0.00 61.00 63.01 3epk s PRO 343 Cb -0.09 -3.65 -0.11 0.00 0.04 0.00 0.00 34.50 30.69 3epk s PRO 343 CO 0.05 -0.70 1.71 0.42 0.04 0.00 0.00 177.00 178.52 3epk s ILE 344 N 2.78 2.18 -2.15 0.56 -1.09 -1.26 -4.90 121.20 117.32 3epk s ILE 344 Ca 0.71 0.09 0.23 0.00 -2.23 0.00 0.00 60.65 59.45 3epk s ILE 344 Cb -0.36 -3.06 0.07 0.00 -1.58 0.00 0.00 42.46 37.54 3epk s ILE 344 CO 0.30 0.01 1.20 0.29 -1.23 0.00 0.00 174.94 175.51 3epk n LYS 345 N 4.19 1.33 -2.05 2.79 5.02 -1.26 -4.97 118.16 123.20 3epk n LYS 345 Ca 0.16 -1.06 -0.37 0.00 -2.02 0.00 0.00 58.31 55.02 3epk n LYS 345 Cb 0.36 -1.48 0.02 0.00 -0.02 0.00 0.00 35.03 33.91 3epk n LYS 345 CO 0.00 0.00 0.00 -0.65 -0.52 0.00 0.00 177.40 176.23 3epk s GLN 346 N -2.40 3.35 0.07 1.97 -1.52 -1.26 -4.90 119.66 114.97 3epk s GLN 346 Ca 0.21 1.91 0.05 0.00 -1.95 0.00 0.00 55.36 55.58 3epk s GLN 346 Cb 0.19 -2.21 0.26 0.00 -0.22 0.00 0.00 33.01 31.02 3epk s GLN 346 CO 0.52 -0.93 1.14 -1.91 -0.25 0.00 0.00 175.29 173.87 3epk n GLU 347 N -0.98 0.03 0.00 2.91 4.07 -1.26 -4.83 120.64 120.58 3epk n GLU 347 Ca 0.10 0.53 0.00 0.00 -0.06 0.00 0.00 57.16 57.73 3epk n GLU 347 Cb 0.48 -1.60 0.00 0.00 -0.06 0.00 0.00 31.44 30.26 3epk n GLU 347 CO 0.00 0.00 0.00 -2.13 -0.06 0.00 0.00 177.13 174.94 3epk n ARG 348 N -1.67 0.00 -3.38 5.31 0.63 -1.26 -4.82 116.66 111.47 3epk n ARG 348 Ca -0.00 0.00 0.02 0.00 -0.92 0.00 0.00 57.85 56.94 3epk n ARG 348 Cb 0.01 -2.14 -0.04 0.00 0.45 0.00 0.00 32.46 30.74 3epk n ARG 348 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 3epk s ALA 349 N -0.83 -2.70 0.16 5.13 0.00 -1.26 -1.71 121.76 120.56 3epk s ALA 349 Ca 0.00 2.00 -0.31 0.00 0.00 0.00 0.00 51.96 53.65 3epk s ALA 349 Cb 0.00 -2.08 -0.09 0.00 0.00 0.00 0.00 23.12 20.95 3epk s ALA 349 CO 0.00 -1.03 1.46 -1.25 0.00 0.00 0.00 175.76 174.94 3epk s PRO 350 N 2.57 4.27 0.12 0.00 0.04 -1.26 -4.61 135.00 136.13 3epk s PRO 350 Ca -0.01 2.23 -0.04 0.00 0.04 0.00 0.00 61.00 63.22 3epk s PRO 350 Cb -0.08 -3.18 0.20 0.00 0.04 0.00 0.00 34.50 31.48 3epk s PRO 350 CO -0.17 -0.49 0.68 1.63 0.04 0.00 0.00 177.00 178.69 3epk n LYS 351 N 3.57 -0.04 -0.33 4.56 4.76 -1.26 0.10 118.16 129.52 3epk n LYS 351 Ca 0.11 0.68 0.10 0.00 -2.87 0.00 0.00 58.31 56.33 3epk n LYS 351 Cb 0.40 -1.01 0.27 0.00 -1.84 0.00 0.00 35.03 32.85 3epk n LYS 351 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3epk h ALA 352 N 0.87 1.48 -0.17 7.82 0.00 -2.06 -1.73 119.26 125.46 3epk h ALA 352 Ca 0.21 0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.19 3epk h ALA 352 Cb 0.32 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.04 3epk h ALA 352 CO -0.45 -0.03 0.00 1.28 0.00 0.00 0.00 179.25 180.05 3epk n LEU 353 N -4.79 2.94 -0.44 0.00 4.77 0.28 -4.61 117.00 115.15 3epk n LEU 353 Ca 0.20 -1.23 0.36 0.00 -0.03 0.00 0.00 56.01 55.31 3epk n LEU 353 Cb 0.48 -0.10 0.64 0.00 -2.33 0.00 0.00 43.42 42.12 3epk n LEU 353 CO 0.22 0.57 1.23 -0.08 -1.33 0.00 0.00 177.39 178.00 3epk h GLU 354 N 3.97 0.09 0.00 3.23 4.81 -0.30 0.17 114.58 126.55 3epk h GLU 354 Ca 0.00 -0.01 -0.03 0.00 -0.13 0.00 0.00 59.36 59.20 3epk h GLU 354 Cb 0.87 -0.02 -0.00 0.00 0.63 0.00 0.00 28.75 30.23 3epk h GLU 354 CO 0.00 0.06 -0.14 0.93 -0.73 0.00 0.00 179.01 179.13 3epk h GLU 355 N 0.09 0.00 0.00 1.92 4.39 -1.81 -3.18 114.58 115.99 3epk h GLU 355 Ca 0.82 0.00 -0.03 0.00 0.34 0.00 0.00 59.36 60.49 3epk h GLU 355 Cb 2.55 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 31.20 3epk h GLU 355 CO -0.43 0.14 -0.12 -0.07 -1.16 0.00 0.00 179.01 177.37 3epk h LEU 356 N 0.00 0.00 -0.53 1.33 3.38 -1.01 -2.27 115.31 116.20 3epk h LEU 356 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3epk h LEU 356 Cb 0.57 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.32 3epk h LEU 356 CO 0.02 0.12 -0.29 0.18 0.09 0.00 0.00 178.44 178.56 3epk n LEU 357 N -4.37 1.13 -4.69 1.67 4.77 -1.20 -4.66 117.00 109.65 3epk n LEU 357 Ca -0.03 -0.31 -0.33 0.00 -0.03 0.00 0.00 56.01 55.31 3epk n LEU 357 Cb 0.20 -0.11 0.13 0.00 -2.33 0.00 0.00 43.42 41.31 3epk n LEU 357 CO 0.35 0.21 0.75 -0.94 -1.33 0.00 0.00 177.39 176.43 3epk s SER 358 N -2.51 3.49 0.17 -1.43 1.04 -0.86 -4.87 113.70 108.74 3epk s SER 358 Ca 0.23 2.31 -0.12 0.00 0.48 0.00 0.00 55.95 58.85 3epk s SER 358 Cb 0.19 -2.58 0.08 0.00 0.10 0.00 0.00 66.02 63.81 3epk s SER 358 CO 0.53 -2.73 1.77 0.11 0.98 0.00 0.00 173.24 173.90 3epk h LYS 359 N -1.10 0.84 -0.97 4.02 1.79 -1.92 -2.72 116.57 116.51 3epk h LYS 359 Ca -0.45 -0.11 0.15 0.00 -2.18 0.00 0.00 60.65 58.06 3epk h LYS 359 Cb 1.29 -0.16 -0.09 0.00 -1.58 0.00 0.00 32.23 31.69 3epk h LYS 359 CO 0.45 0.67 0.61 0.78 -1.08 0.00 0.00 179.45 180.88 3epk h GLY 360 N 0.80 1.51 1.51 3.86 0.00 -1.92 0.11 103.07 108.94 3epk h GLY 360 Ca 0.21 -0.35 0.00 0.00 0.00 0.00 0.00 47.33 47.18 3epk h GLY 360 CO -0.03 0.06 -0.18 1.18 0.00 0.00 0.00 176.54 177.58 3epk n GLU 361 N -4.64 0.11 0.00 4.80 -0.58 -1.08 -4.16 120.64 115.10 3epk n GLU 361 Ca 0.20 -0.03 0.00 0.00 -0.42 0.00 0.00 57.16 56.91 3epk n GLU 361 Cb 0.48 -1.50 0.00 0.00 -0.57 0.00 0.00 31.44 29.85 3epk n GLU 361 CO 0.00 0.00 0.00 0.25 -0.48 0.00 0.00 177.13 176.90 3epk n THR 362 N -1.42 0.00 -0.06 2.62 -2.24 0.27 -4.71 114.28 108.74 3epk n THR 362 Ca 0.08 0.00 0.25 0.00 -2.27 0.00 0.00 64.05 62.11 3epk n THR 362 Cb 0.33 0.00 0.71 0.00 -2.10 0.00 0.00 70.33 69.27 3epk n THR 362 CO 0.00 0.00 0.00 0.71 -0.57 0.00 0.00 175.07 175.21 3epk h THR 363 N 0.00 0.40 -0.12 4.28 1.35 -1.70 -0.31 112.91 116.81 3epk h THR 363 Ca 0.00 0.00 -0.00 0.00 -0.55 0.00 0.00 66.41 65.86 3epk h THR 363 Cb 0.00 0.53 -0.01 0.00 -1.73 0.00 0.00 68.15 66.95 3epk h THR 363 CO 0.00 0.00 0.06 -0.03 -0.25 0.00 0.00 175.52 175.30 3epk h MET 364 N 0.00 0.16 0.00 4.72 -1.53 -1.49 -2.35 114.93 114.44 3epk h MET 364 Ca 0.33 -0.01 0.00 0.00 -3.44 0.00 0.00 59.70 56.58 3epk h MET 364 Cb 1.57 -0.03 0.00 0.00 -0.55 0.00 0.00 31.60 32.59 3epk h MET 364 CO -0.00 0.13 -0.13 1.63 0.14 0.00 0.00 176.91 178.67 3epk n LYS 365 N -4.50 0.01 -2.18 0.39 5.02 -0.13 -4.88 118.16 111.90 3epk n LYS 365 Ca -0.01 0.01 -0.41 0.00 -2.02 0.00 0.00 58.31 55.87 3epk n LYS 365 Cb 0.10 -1.51 -0.03 0.00 -0.02 0.00 0.00 35.03 33.57 3epk n LYS 365 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 3epk s LYS 366 N -3.00 4.36 0.05 1.97 1.02 -0.89 -4.95 119.74 118.30 3epk s LYS 366 Ca 0.13 2.09 -0.31 0.00 0.02 0.00 0.00 55.97 57.91 3epk s LYS 366 Cb 0.18 -3.19 -0.07 0.00 -0.52 0.00 0.00 37.83 34.24 3epk s LYS 366 CO 0.58 -0.30 1.55 -1.17 -0.92 0.00 0.00 175.35 175.09 3epk s LEU 367 N -0.03 4.35 -0.05 3.17 2.96 -1.26 -4.90 118.68 122.91 3epk s LEU 367 Ca 0.58 2.34 0.07 0.00 -0.22 0.00 0.00 54.13 56.90 3epk s LEU 367 Cb -0.37 -3.56 -0.10 0.00 0.50 0.00 0.00 46.19 42.66 3epk s LEU 367 CO 0.38 -0.82 0.07 -0.90 -1.32 0.00 0.00 176.35 173.76 3epk n ASP 368 N 5.44 3.25 -4.64 3.68 5.68 -1.26 -4.96 116.55 123.74 3epk n ASP 368 Ca 0.15 0.00 -0.42 0.00 -0.50 0.00 0.00 54.79 54.02 3epk n ASP 368 Cb 0.42 0.88 -0.04 0.00 -1.14 0.00 0.00 41.12 41.23 3epk n ASP 368 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 3epk s ASP 369 N -3.57 6.83 0.00 -1.12 -1.08 -1.26 -4.92 116.67 111.54 3epk s ASP 369 Ca -0.03 1.01 0.06 0.00 -0.52 0.00 0.00 52.55 53.07 3epk s ASP 369 Cb 0.03 -2.44 0.00 0.00 -1.46 0.00 0.00 42.92 39.05 3epk s ASP 369 CO 0.30 -0.54 0.50 0.79 0.52 0.00 0.00 175.17 176.74 3epk n TRP 370 N 6.07 0.00 -1.68 -5.34 7.02 -1.26 -3.37 117.44 118.88 3epk n TRP 370 Ca 0.06 0.00 -0.46 0.00 -1.02 0.00 0.00 57.50 56.08 3epk n TRP 370 Cb 0.47 0.00 -0.04 0.00 -2.42 0.00 0.00 31.31 29.32 3epk n TRP 370 CO 0.00 0.00 0.00 0.25 -2.02 0.00 0.00 177.69 175.92 3epk n THR 371 N -0.26 0.28 -2.74 -0.99 -2.24 -1.26 -4.54 114.28 102.54 3epk n THR 371 Ca 0.03 -0.05 -0.34 0.00 -2.27 0.00 0.00 64.05 61.42 3epk n THR 371 Cb 0.13 -1.80 -0.06 0.00 -2.10 0.00 0.00 70.33 66.49 3epk n THR 371 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 3epk s HIS 372 N 2.38 3.29 0.00 4.78 3.76 -1.26 -2.53 115.29 125.70 3epk s HIS 372 Ca 0.84 1.63 0.03 0.00 -0.15 0.00 0.00 55.06 57.40 3epk s HIS 372 Cb -0.63 -2.93 -0.01 0.00 1.11 0.00 0.00 32.58 30.13 3epk s HIS 372 CO 0.42 -0.26 -0.09 0.71 -0.85 0.00 0.00 174.74 174.67 3epk s TYR 373 N -2.03 0.77 -0.16 1.40 2.02 -0.28 -4.99 117.35 114.08 3epk s TYR 373 Ca 0.61 -0.20 0.00 0.00 -0.37 0.00 0.00 57.07 57.11 3epk s TYR 373 Cb -0.13 -0.49 0.03 0.00 -0.40 0.00 0.00 41.96 40.98 3epk s TYR 373 CO 0.17 -0.01 -0.09 0.99 -1.57 0.00 0.00 175.55 175.03 3epk s THR 374 N -0.40 1.37 -0.08 -0.71 2.01 -1.26 -0.57 115.64 116.00 3epk s THR 374 Ca 0.01 -0.69 -0.30 0.00 0.31 0.00 0.00 61.69 61.03 3epk s THR 374 Cb -0.04 -1.43 -0.02 0.00 0.01 0.00 0.00 72.50 71.02 3epk s THR 374 CO -0.00 0.26 1.14 0.00 -0.69 0.00 0.00 174.62 175.34 3epk n ASN 376 N 5.30 0.22 -0.01 0.00 0.23 -1.26 -3.89 115.26 115.85 3epk n ASN 376 Ca 0.11 -0.01 0.05 0.00 -0.53 0.00 0.00 54.58 54.20 3epk n ASN 376 Cb 0.47 -0.21 -0.09 0.00 -2.08 0.00 0.00 39.78 37.87 3epk n ASN 376 CO 0.00 0.00 0.00 0.52 -0.93 0.00 0.00 177.26 176.85 3epk n VAL 377 N -1.34 0.04 -4.18 3.53 0.31 -1.26 -5.00 118.33 110.44 3epk n VAL 377 Ca 0.09 -0.27 -0.35 0.00 -0.01 0.00 0.00 64.34 63.80 3epk n VAL 377 Cb 0.31 0.19 -0.08 0.00 -0.91 0.00 0.00 33.84 33.35 3epk n VAL 377 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3epk s ARG 379 N -1.12 0.59 0.67 0.00 1.70 -1.26 -1.46 118.95 118.06 3epk s ARG 379 Ca 0.16 0.35 -0.05 0.00 -0.47 0.00 0.00 55.73 55.72 3epk s ARG 379 Cb -0.12 0.28 0.05 0.00 -0.57 0.00 0.00 34.95 34.59 3epk s ARG 379 CO 0.05 -0.11 0.96 -0.80 -1.08 0.00 0.00 175.30 174.32 3epk s ASN 380 N -0.31 4.99 0.53 -2.89 0.01 -0.22 -4.88 114.94 112.16 3epk s ASN 380 Ca -0.05 0.42 0.34 0.00 -0.71 0.00 0.00 52.86 52.86 3epk s ASN 380 Cb -0.03 -1.15 1.50 0.00 0.41 0.00 0.00 41.25 41.97 3epk s ASN 380 CO 0.02 -1.46 1.81 0.00 -1.51 0.00 0.00 177.10 175.97 3epk h ALA 381 N -0.44 2.99 0.00 0.60 0.00 -2.03 0.74 119.26 121.12 3epk h ALA 381 Ca -0.44 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.44 3epk h ALA 381 Cb 1.31 0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.17 3epk h ALA 381 CO 0.59 -1.32 0.00 -0.40 0.00 0.00 0.00 179.25 178.12 3epk n ASP 382 N -4.24 0.00 0.00 0.00 5.68 -1.26 -4.85 116.55 111.88 3epk n ASP 382 Ca 0.24 -1.31 0.00 0.00 -0.50 0.00 0.00 54.79 53.22 3epk n ASP 382 Cb 1.16 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 41.14 3epk n ASP 382 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3epk n GLY 383 N 0.38 2.84 3.75 6.12 0.00 0.26 -5.01 105.19 113.53 3epk n GLY 383 Ca 0.06 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.76 3epk n GLY 383 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3epk s LYS 384 N -0.09 2.25 0.28 1.61 1.02 -1.25 -4.69 119.74 118.87 3epk s LYS 384 Ca 0.00 1.44 -0.19 0.00 0.02 0.00 0.00 55.97 57.23 3epk s LYS 384 Cb 0.00 -1.88 -0.09 0.00 -0.52 0.00 0.00 37.83 35.34 3epk s LYS 384 CO 0.00 -1.68 0.77 -0.80 -0.92 0.00 0.00 175.35 172.71 3epk s ASN 385 N -2.69 7.00 0.36 2.83 -0.87 -1.26 -1.05 114.94 119.26 3epk s ASN 385 Ca 0.67 1.45 -0.28 0.00 -1.57 0.00 0.00 52.86 53.12 3epk s ASN 385 Cb -0.22 -2.43 -0.11 0.00 -0.02 0.00 0.00 41.25 38.47 3epk s ASN 385 CO 0.49 -0.07 1.47 0.52 -2.57 0.00 0.00 177.10 176.93 3epk n VAL 386 N 0.31 1.88 -3.79 1.60 0.31 -0.54 -4.83 118.33 113.27 3epk n VAL 386 Ca 0.00 -0.47 -0.28 0.00 -0.01 0.00 0.00 64.34 63.59 3epk n VAL 386 Cb 0.52 -1.90 -0.16 0.00 -0.91 0.00 0.00 33.84 31.38 3epk n VAL 386 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 3epk s VAL 387 N -0.98 0.75 0.19 2.52 1.01 -1.26 -1.48 120.40 121.16 3epk s VAL 387 Ca 0.55 -0.65 -0.04 0.00 0.00 0.00 0.00 61.98 61.83 3epk s VAL 387 Cb -0.49 -1.17 -0.05 0.00 0.00 0.00 0.00 36.38 34.66 3epk s VAL 387 CO 0.62 -0.14 0.43 0.00 0.00 0.00 0.00 175.10 176.01 3epk s ALA 388 N 1.76 3.75 -0.13 5.51 0.00 0.27 -4.88 121.76 128.03 3epk s ALA 388 Ca -0.01 -0.60 0.02 0.00 0.00 0.00 0.00 51.96 51.37 3epk s ALA 388 Cb -0.17 -2.16 0.00 0.00 0.00 0.00 0.00 23.12 20.80 3epk s ALA 388 CO -0.07 0.52 -0.20 0.42 0.00 0.00 0.00 175.76 176.43 3epk s ILE 389 N -1.80 2.28 0.00 0.00 1.01 -1.26 -1.13 121.20 120.30 3epk s ILE 389 Ca 0.42 -0.92 0.00 0.00 0.00 0.00 0.00 60.65 60.15 3epk s ILE 389 Cb -0.11 -1.92 0.00 0.00 0.01 0.00 0.00 42.46 40.44 3epk s ILE 389 CO 0.26 0.54 0.00 0.61 0.00 0.00 0.00 174.94 176.36 3epk n GLY 390 N 3.87 -1.41 0.33 6.18 0.00 -1.05 -4.44 105.19 108.67 3epk n GLY 390 Ca -0.19 -0.95 0.21 0.00 0.00 0.00 0.00 46.02 45.08 3epk n GLY 390 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 3epk h GLU 391 N 0.00 0.28 -0.30 1.61 4.81 -1.85 0.92 114.58 120.05 3epk h GLU 391 Ca 0.00 -0.02 0.07 0.00 -0.13 0.00 0.00 59.36 59.28 3epk h GLU 391 Cb 0.00 -0.06 -0.07 0.00 0.63 0.00 0.00 28.75 29.25 3epk h GLU 391 CO 0.00 0.19 -0.15 -0.22 -0.73 0.00 0.00 179.01 178.10 3epk h LYS 392 N 0.29 -0.10 0.00 1.92 3.64 -1.96 -0.51 116.57 119.85 3epk h LYS 392 Ca 0.68 0.01 -0.00 0.00 -1.27 0.00 0.00 60.65 60.07 3epk h LYS 392 Cb 1.52 0.02 -0.00 0.00 -0.41 0.00 0.00 32.23 33.36 3epk h LYS 392 CO -0.63 -0.07 -0.02 1.88 -2.27 0.00 0.00 179.45 178.35 3epk h TYR 393 N -0.10 0.00 -0.48 1.91 -1.99 -1.15 -2.74 116.97 112.41 3epk h TYR 393 Ca 0.16 0.00 -0.12 0.00 2.00 0.00 0.00 58.73 60.77 3epk h TYR 393 Cb 0.34 0.00 -0.02 0.00 2.00 0.00 0.00 36.73 39.05 3epk h TYR 393 CO -0.35 0.02 -0.16 2.35 -0.00 0.00 0.00 178.16 180.02 3epk h TRP 394 N 0.00 1.06 -0.24 4.88 2.91 0.02 -2.23 115.95 122.34 3epk h TRP 394 Ca -0.00 -0.23 -0.19 0.00 1.13 0.00 0.00 58.89 59.60 3epk h TRP 394 Cb 0.98 -0.26 0.00 0.00 -0.51 0.00 0.00 29.16 29.37 3epk h TRP 394 CO 0.00 1.02 -0.59 0.87 -1.03 0.00 0.00 178.44 178.71 3epk h LYS 395 N 0.82 0.79 -0.90 2.65 1.57 -1.03 -2.49 116.57 117.99 3epk h LYS 395 Ca 0.12 -0.53 0.12 0.00 -1.87 0.00 0.00 60.65 58.49 3epk h LYS 395 Cb 0.71 0.07 -0.08 0.00 0.08 0.00 0.00 32.23 33.01 3epk h LYS 395 CO 0.05 1.16 0.52 0.82 -0.57 0.00 0.00 179.45 181.43 3epk h ILE 396 N 0.60 0.85 0.27 1.86 2.04 -1.22 -0.83 117.51 121.07 3epk h ILE 396 Ca 0.00 -0.28 -0.01 0.00 1.00 0.00 0.00 64.86 65.57 3epk h ILE 396 Cb 1.20 -0.02 0.00 0.00 -0.74 0.00 0.00 36.82 37.25 3epk h ILE 396 CO 0.13 0.15 -0.13 -0.74 0.00 0.00 0.00 178.15 177.56 3epk h HIS 397 N 0.80 -0.33 -0.94 1.37 2.76 -1.30 -2.14 115.15 115.37 3epk h HIS 397 Ca 0.46 -0.01 0.26 0.00 -2.20 0.00 0.00 60.37 58.88 3epk h HIS 397 Cb 0.51 0.11 -0.04 0.00 1.55 0.00 0.00 27.41 29.54 3epk h HIS 397 CO -0.05 -0.06 0.67 -0.07 -1.30 0.00 0.00 177.93 177.12 3epk h LEU 398 N -0.58 0.08 -2.24 0.26 3.38 -0.76 0.46 115.31 115.90 3epk h LEU 398 Ca -0.04 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.94 3epk h LEU 398 Cb 0.42 -0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.17 3epk h LEU 398 CO 0.06 0.02 0.00 0.61 0.09 0.00 0.00 178.44 179.22 3epk n GLY 399 N -1.68 1.59 3.79 0.83 0.00 -0.44 -4.50 105.19 104.76 3epk n GLY 399 Ca 0.20 -0.73 -0.33 0.00 0.00 0.00 0.00 46.02 45.15 3epk n GLY 399 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3epk s SER 400 N -1.60 5.60 0.52 1.61 1.04 0.16 -4.84 113.70 116.20 3epk s SER 400 Ca 0.37 1.96 0.26 0.00 0.48 0.00 0.00 55.95 59.02 3epk s SER 400 Cb 0.22 -2.55 1.44 0.00 0.10 0.00 0.00 66.02 65.23 3epk s SER 400 CO 0.32 -1.30 2.09 0.03 0.98 0.00 0.00 173.24 175.36 3epk h ARG 401 N 0.57 0.00 0.97 4.02 3.08 -1.91 0.57 114.38 121.68 3epk h ARG 401 Ca -0.48 0.00 -0.05 0.00 0.07 0.00 0.00 59.98 59.53 3epk h ARG 401 Cb 1.24 0.00 0.01 0.00 0.08 0.00 0.00 29.97 31.30 3epk h ARG 401 CO 0.56 0.11 -0.47 -0.09 -1.07 0.00 0.00 179.97 179.02 3epk h ARG 402 N 0.00 -1.26 -0.12 0.04 2.43 -1.90 0.31 114.38 113.88 3epk h ARG 402 Ca -0.00 0.09 0.01 0.00 -0.81 0.00 0.00 59.98 59.27 3epk h ARG 402 Cb 0.29 0.29 -0.01 0.00 -0.42 0.00 0.00 29.97 30.11 3epk h ARG 402 CO 0.01 -0.84 0.03 1.25 -1.51 0.00 0.00 179.97 178.92 3epk h HIS 403 N -1.32 0.06 0.25 2.20 2.76 -1.67 -1.60 115.15 115.82 3epk h HIS 403 Ca -0.13 0.01 0.00 0.00 -2.20 0.00 0.00 60.37 58.05 3epk h HIS 403 Cb 1.00 -0.01 -0.04 0.00 1.55 0.00 0.00 27.41 29.91 3epk h HIS 403 CO 0.01 0.03 -0.51 0.87 -1.30 0.00 0.00 177.93 177.03 3epk h LYS 404 N 0.09 -0.79 -0.84 5.26 1.57 -0.81 0.18 116.57 121.23 3epk h LYS 404 Ca 0.05 0.05 0.17 0.00 -1.87 0.00 0.00 60.65 59.05 3epk h LYS 404 Cb 0.03 0.18 -0.10 0.00 0.08 0.00 0.00 32.23 32.42 3epk h LYS 404 CO -0.05 -0.53 0.40 1.03 -0.57 0.00 0.00 179.45 179.73 3epk h SER 405 N -0.82 0.43 -0.02 0.86 0.87 -0.30 0.96 113.55 115.52 3epk h SER 405 Ca -0.03 0.11 -0.06 0.00 -1.23 0.00 0.00 61.79 60.58 3epk h SER 405 Cb 0.78 0.06 -0.01 0.00 -0.44 0.00 0.00 62.40 62.79 3epk h SER 405 CO -0.21 0.14 -0.15 0.78 -0.53 0.00 0.00 176.83 176.87 3epk h ASN 406 N 0.53 0.32 1.24 6.23 4.21 -0.61 -2.10 115.58 125.40 3epk h ASN 406 Ca 0.48 -0.08 0.00 0.00 1.21 0.00 0.00 56.30 57.91 3epk h ASN 406 Cb 0.76 -0.08 0.00 0.00 -1.12 0.00 0.00 38.32 37.87 3epk h ASN 406 CO -0.41 0.49 0.00 -0.11 -1.29 0.00 0.00 177.43 176.11 3epk n LEU 407 N -4.23 0.59 -0.05 1.61 7.94 0.58 -2.61 117.00 120.84 3epk n LEU 407 Ca -0.00 0.57 -0.17 0.00 -1.11 0.00 0.00 56.01 55.29 3epk n LEU 407 Cb 0.30 -0.40 -0.13 0.00 0.53 0.00 0.00 43.42 43.73 3epk n LEU 407 CO 0.39 -0.19 0.06 0.50 -1.11 0.00 0.00 177.39 177.04 3epk h LYS 408 N 0.00 0.08 -0.53 1.96 3.64 -0.64 -2.55 116.57 118.53 3epk h LYS 408 Ca 0.00 -0.14 -0.01 0.00 -1.27 0.00 0.00 60.65 59.23 3epk h LYS 408 Cb 0.62 0.05 -0.03 0.00 -0.41 0.00 0.00 32.23 32.47 3epk h LYS 408 CO 0.00 1.06 0.28 0.07 -2.27 0.00 0.00 179.45 178.60 3epk h ARG 409 N -0.81 0.73 0.69 1.90 0.11 -1.54 0.17 114.38 115.64 3epk h ARG 409 Ca -0.13 -0.07 -0.03 0.00 0.10 0.00 0.00 59.98 59.84 3epk h ARG 409 Cb 1.26 -0.15 0.01 0.00 1.11 0.00 0.00 29.97 32.19 3epk h ARG 409 CO -0.01 0.55 -0.33 -0.91 0.10 0.00 0.00 179.97 179.37 3epk h ASN 410 N 0.74 -0.78 0.08 0.08 4.21 -1.59 -1.48 115.58 116.84 3epk h ASN 410 Ca 0.19 -0.00 0.02 0.00 1.21 0.00 0.00 56.30 57.71 3epk h ASN 410 Cb 0.03 0.20 -0.03 0.00 -1.12 0.00 0.00 38.32 37.41 3epk h ASN 410 CO -0.03 -0.44 -0.18 0.74 -1.29 0.00 0.00 177.43 176.23 3epk h THR 411 N -1.14 0.58 -0.92 2.81 2.02 -1.23 -1.15 112.91 113.88 3epk h THR 411 Ca -0.09 0.00 0.19 0.00 0.77 0.00 0.00 66.41 67.27 3epk h THR 411 Cb 0.74 0.58 -0.07 0.00 -1.74 0.00 0.00 68.15 67.66 3epk h THR 411 CO 0.16 0.00 0.59 -0.09 0.37 0.00 0.00 175.52 176.55 3epk h ARG 412 N -0.34 0.52 -0.27 6.66 2.43 -0.71 -0.06 114.38 122.62 3epk h ARG 412 Ca 0.03 -0.03 -0.15 0.00 -0.81 0.00 0.00 59.98 59.02 3epk h ARG 412 Cb 0.37 -0.12 -0.00 0.00 -0.42 0.00 0.00 29.97 29.80 3epk h ARG 412 CO -0.11 0.34 -0.41 0.37 -1.51 0.00 0.00 179.97 178.65 3epk h GLN 413 N 0.54 0.75 -0.34 0.20 4.15 -0.49 -3.03 115.11 116.88 3epk h GLN 413 Ca 0.48 -0.45 -0.03 0.00 0.77 0.00 0.00 58.65 59.43 3epk h GLN 413 Cb 1.02 0.04 -0.02 0.00 0.21 0.00 0.00 27.48 28.73 3epk h GLN 413 CO -0.22 1.08 0.10 0.00 -1.93 0.00 0.00 178.83 177.85 3epk h ALA 414 N 0.66 1.54 0.00 3.38 0.00 0.13 -0.13 119.26 124.84 3epk h ALA 414 Ca 0.02 -0.13 -0.00 0.00 0.00 0.00 0.00 54.91 54.80 3epk h ALA 414 Cb 1.01 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.65 3epk h ALA 414 CO 0.10 0.35 -0.02 -0.44 0.00 0.00 0.00 179.25 179.24 3epk h ASP 415 N 0.48 0.00 -0.19 0.00 3.45 -1.04 0.16 116.42 119.29 3epk h ASP 415 Ca 0.12 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.58 3epk h ASP 415 Cb 0.17 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 38.94 3epk h ASP 415 CO -0.01 0.02 0.00 0.49 -1.57 0.00 0.00 179.24 178.17 3epk n PHE 416 N -3.14 0.50 -0.00 4.55 3.01 -0.06 -2.55 117.46 119.77 3epk n PHE 416 Ca -0.00 -0.19 -0.00 0.00 1.01 0.00 0.00 57.45 58.27 3epk n PHE 416 Cb 0.26 -0.14 -0.00 0.00 -0.01 0.00 0.00 39.48 39.58 3epk n PHE 416 CO 0.00 0.00 0.00 0.39 1.01 0.00 0.00 176.76 178.16 3epk n GLU 417 N 0.17 0.01 -0.18 -1.08 -0.58 0.01 -4.00 120.64 114.99 3epk n GLU 417 Ca 0.08 0.00 -0.04 0.00 -0.42 0.00 0.00 57.16 56.78 3epk n GLU 417 Cb 0.41 -0.95 0.14 0.00 -0.57 0.00 0.00 31.44 30.47 3epk n GLU 417 CO 0.00 0.00 0.00 -0.22 -0.48 0.00 0.00 177.13 176.43 3epk h LYS 418 N -0.00 0.94 -0.06 3.49 3.64 -1.45 -0.70 116.57 122.43 3epk h LYS 418 Ca -0.01 -0.20 -0.15 0.00 -1.27 0.00 0.00 60.65 59.03 3epk h LYS 418 Cb 1.01 -0.14 -0.01 0.00 -0.41 0.00 0.00 32.23 32.68 3epk h LYS 418 CO -0.00 0.83 -0.62 -1.49 -2.27 0.00 0.00 179.45 175.90 3epk h TRP 419 N 0.90 0.26 0.00 1.91 -0.00 -1.75 -2.75 115.95 114.52 3epk h TRP 419 Ca 0.20 -0.10 -0.01 0.00 -0.00 0.00 0.00 58.89 58.98 3epk h TRP 419 Cb 0.31 -0.05 -0.00 0.00 -0.00 0.00 0.00 29.16 29.42 3epk h TRP 419 CO 0.02 0.76 -0.04 -0.22 -0.00 0.00 0.00 178.44 178.96 3epk h LYS 420 N 0.15 0.00 0.00 0.49 3.64 -1.28 -3.51 116.57 116.06 3epk h LYS 420 Ca -0.01 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.37 3epk h LYS 420 Cb 1.12 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.94 3epk h LYS 420 CO 0.09 0.04 0.00 -0.89 -2.27 0.00 0.00 179.45 176.42