#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1hjk s PRO 2 N 0.00 2.04 -0.05 -2.82 0.02 -1.26 -4.99 135.00 127.94 1hjk s PRO 2 Ca 0.00 0.43 0.07 0.00 0.02 0.00 0.00 61.00 61.51 1hjk s PRO 2 Cb 0.00 -4.79 -0.01 0.00 0.02 0.00 0.00 34.50 29.71 1hjk s PRO 2 CO 0.00 -3.81 -0.25 -2.00 -0.33 0.00 0.00 177.00 170.61 1hjk s GLU 3 N 8.09 2.41 -0.17 5.54 2.12 -1.26 -5.11 118.70 130.33 1hjk s GLU 3 Ca 0.85 -0.91 -0.19 0.00 0.36 0.00 0.00 54.97 55.08 1hjk s GLU 3 Cb -0.12 -2.12 -0.04 0.00 0.26 0.00 0.00 34.13 32.12 1hjk s GLU 3 CO 0.10 0.43 0.51 -1.64 -0.54 0.00 0.00 175.26 174.12 1hjk s MET 4 N -0.30 4.25 0.41 4.30 -1.94 -1.26 -4.79 119.30 119.96 1hjk s MET 4 Ca 0.00 0.45 -0.02 0.00 -1.71 0.00 0.00 55.69 54.41 1hjk s MET 4 Cb -0.13 -3.52 -0.03 0.00 2.01 0.00 0.00 34.83 33.16 1hjk s MET 4 CO 0.02 -0.04 0.65 -1.25 -0.01 0.00 0.00 175.02 174.39 1hjk s PRO 5 N 1.29 3.51 -0.14 2.03 0.04 -1.26 -5.03 135.00 135.43 1hjk s PRO 5 Ca 0.25 -0.10 -0.04 0.00 0.04 0.00 0.00 61.00 61.16 1hjk s PRO 5 Cb -0.15 -2.54 -0.03 0.00 0.04 0.00 0.00 34.50 31.82 1hjk s PRO 5 CO 0.10 -0.01 -0.02 0.08 0.04 0.00 0.00 177.00 177.19 1hjk s VAL 6 N -2.50 4.05 -0.50 -0.36 1.01 -1.26 -4.80 120.40 116.03 1hjk s VAL 6 Ca 0.43 -0.31 -0.33 0.00 0.00 0.00 0.00 61.98 61.77 1hjk s VAL 6 Cb -0.10 -2.76 -0.13 0.00 0.00 0.00 0.00 36.38 33.39 1hjk s VAL 6 CO 0.40 0.51 2.33 0.18 0.00 0.00 0.00 175.10 178.51 1hjk n LEU 7 N 3.28 1.80 -0.11 3.92 4.77 -0.74 -4.77 117.00 125.15 1hjk n LEU 7 Ca -0.17 0.19 -0.12 0.00 -0.03 0.00 0.00 56.01 55.88 1hjk n LEU 7 Cb 0.53 -1.26 -0.03 0.00 -2.33 0.00 0.00 43.42 40.33 1hjk n LEU 7 CO 0.32 -0.90 0.69 -0.33 -1.33 0.00 0.00 177.39 175.84 1hjk h GLU 8 N 13.68 0.66 -1.30 3.23 3.07 -1.96 -3.43 114.58 128.53 1hjk h GLU 8 Ca -0.22 -0.27 0.00 0.00 -0.50 0.00 0.00 59.36 58.37 1hjk h GLU 8 Cb 1.31 -0.03 -0.24 0.00 -0.84 0.00 0.00 28.75 28.95 1hjk h GLU 8 CO 1.12 0.85 -0.35 1.21 -1.40 0.00 0.00 179.01 180.43 1hjk s ASN 9 N -6.30 -0.84 -0.44 1.42 3.84 -1.26 -4.97 114.94 106.38 1hjk s ASN 9 Ca -0.13 0.58 0.04 0.00 0.21 0.00 0.00 52.86 53.57 1hjk s ASN 9 Cb 0.09 1.80 0.44 0.00 -0.55 0.00 0.00 41.25 43.02 1hjk s ASN 9 CO 0.80 -0.28 1.35 0.54 -2.79 0.00 0.00 177.10 176.72 1hjk n ARG 10 N 5.41 3.36 -3.13 0.43 5.12 -1.26 -4.90 116.66 121.68 1hjk n ARG 10 Ca -0.01 -4.12 -0.29 0.00 -1.93 0.00 0.00 57.85 51.50 1hjk n ARG 10 Cb 0.51 -2.27 -0.03 0.00 -1.16 0.00 0.00 32.46 29.51 1hjk n ARG 10 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1hjk s ALA 11 N -3.65 3.51 0.03 7.54 0.00 -1.26 -4.58 121.76 123.34 1hjk s ALA 11 Ca 0.52 -0.43 -0.33 0.00 0.00 0.00 0.00 51.96 51.72 1hjk s ALA 11 Cb 0.42 -2.46 -0.12 0.00 0.00 0.00 0.00 23.12 20.97 1hjk s ALA 11 CO -0.09 0.12 1.82 0.00 0.00 0.00 0.00 175.76 177.61 1hjk n ALA 12 N -1.14 1.34 -0.08 0.00 0.00 0.11 -4.48 120.51 116.26 1hjk n ALA 12 Ca -0.00 0.32 0.01 0.00 0.00 0.00 0.00 53.44 53.77 1hjk n ALA 12 Cb 0.54 -2.51 0.31 0.00 0.00 0.00 0.00 19.45 17.79 1hjk n ALA 12 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 1hjk h GLN 13 N 8.53 0.71 0.00 0.00 1.08 -0.97 -3.47 115.11 120.99 1hjk h GLN 13 Ca -0.47 -0.08 0.00 0.00 -1.45 0.00 0.00 58.65 56.65 1hjk h GLN 13 Cb 1.25 -0.14 0.00 0.00 -0.05 0.00 0.00 27.48 28.54 1hjk h GLN 13 CO 0.93 0.54 0.00 0.41 -0.95 0.00 0.00 178.83 179.77 1hjk n GLY 14 N -1.24 4.42 3.57 3.46 0.00 0.19 -5.04 105.19 110.54 1hjk n GLY 14 Ca 0.04 -0.51 -0.42 0.00 0.00 0.00 0.00 46.02 45.13 1hjk n GLY 14 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1hjk s ASP 15 N 1.21 6.38 0.67 1.61 -1.08 -1.23 -4.75 116.67 119.47 1hjk s ASP 15 Ca 0.00 -0.07 0.34 0.00 -0.52 0.00 0.00 52.55 52.30 1hjk s ASP 15 Cb 0.00 -2.54 1.84 0.00 -1.46 0.00 0.00 42.92 40.76 1hjk s ASP 15 CO 0.00 -1.52 2.04 0.16 0.52 0.00 0.00 175.17 176.37 1hjk h ILE 16 N 6.11 0.00 -0.00 4.11 3.07 -1.97 0.23 117.51 129.07 1hjk h ILE 16 Ca -0.26 0.00 0.00 0.00 1.55 0.00 0.00 64.86 66.15 1hjk h ILE 16 Cb 1.06 0.75 0.00 0.00 -0.27 0.00 0.00 36.82 38.36 1hjk h ILE 16 CO 1.19 0.00 -0.41 0.35 -1.05 0.00 0.00 178.15 178.23 1hjk n THR 17 N -2.95 0.00 -4.10 0.16 -2.24 -1.26 -4.48 114.28 99.41 1hjk n THR 17 Ca -0.02 -0.02 -0.27 0.00 -2.27 0.00 0.00 64.05 61.47 1hjk n THR 17 Cb 0.30 0.17 -0.06 0.00 -2.10 0.00 0.00 70.33 68.64 1hjk n THR 17 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1hjk s ALA 18 N -2.93 3.47 -0.08 6.98 0.00 0.80 -5.05 121.76 124.96 1hjk s ALA 18 Ca 0.13 -1.20 -0.38 0.00 0.00 0.00 0.00 51.96 50.52 1hjk s ALA 18 Cb 0.18 -1.29 -0.16 0.00 0.00 0.00 0.00 23.12 21.84 1hjk s ALA 18 CO 0.66 0.56 1.53 -2.30 0.00 0.00 0.00 175.76 176.20 1hjk n PRO 19 N -0.07 1.17 -0.78 0.00 -0.02 -1.26 -0.89 135.00 133.14 1hjk n PRO 19 Ca -0.09 0.42 0.00 0.00 -2.02 0.00 0.00 63.50 61.82 1hjk n PRO 19 Cb 0.54 -2.09 0.00 0.00 -0.02 0.00 0.00 33.50 31.93 1hjk n PRO 19 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1hjk n GLY 20 N 3.28 0.12 0.17 -1.23 0.00 -1.26 -4.80 105.19 101.48 1hjk n GLY 20 Ca 0.22 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.37 1hjk n GLY 20 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1hjk h GLY 21 N 0.00 0.00 -1.73 -0.02 0.00 -1.18 -2.99 103.07 97.14 1hjk h GLY 21 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1hjk h GLY 21 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.54 176.54 1hjk n ALA 22 N -1.90 2.47 -1.58 3.60 0.00 -1.26 0.56 120.51 122.40 1hjk n ALA 22 Ca 0.03 -0.74 -0.36 0.00 0.00 0.00 0.00 53.44 52.36 1hjk n ALA 22 Cb 0.34 -0.92 0.08 0.00 0.00 0.00 0.00 19.45 18.95 1hjk n ALA 22 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1hjk s ARG 23 N -1.80 2.34 -0.01 0.00 0.52 -1.13 -4.58 118.95 114.29 1hjk s ARG 23 Ca 0.34 1.99 0.11 0.00 -0.52 0.00 0.00 55.73 57.64 1hjk s ARG 23 Cb 0.21 -1.83 -0.14 0.00 0.52 0.00 0.00 34.95 33.71 1hjk s ARG 23 CO 0.31 -1.74 0.34 0.54 0.02 0.00 0.00 175.30 174.77 1hjk n ARG 24 N -2.23 1.86 -4.10 3.54 1.74 -1.26 -0.75 116.66 115.45 1hjk n ARG 24 Ca 0.15 -0.05 -0.27 0.00 -0.77 0.00 0.00 57.85 56.91 1hjk n ARG 24 Cb 0.49 -1.13 -0.06 0.00 -1.02 0.00 0.00 32.46 30.73 1hjk n ARG 24 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1hjk s LEU 25 N -3.15 3.71 0.00 0.55 1.43 -1.26 -4.50 118.68 115.46 1hjk s LEU 25 Ca -0.00 -0.17 0.08 0.00 -1.03 0.00 0.00 54.13 53.01 1hjk s LEU 25 Cb 0.07 -2.34 -0.07 0.00 0.03 0.00 0.00 46.19 43.89 1hjk s LEU 25 CO 0.44 0.08 0.37 0.35 0.23 0.00 0.00 176.35 177.83 1hjk n THR 26 N -0.21 0.00 -3.86 5.49 -2.24 -1.26 -4.97 114.28 107.22 1hjk n THR 26 Ca -0.09 -0.34 0.01 0.00 -2.27 0.00 0.00 64.05 61.36 1hjk n THR 26 Cb 0.54 1.02 0.01 0.00 -2.10 0.00 0.00 70.33 69.80 1hjk n THR 26 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1hjk n GLY 27 N 1.11 0.55 3.74 3.38 0.00 -1.26 -5.15 105.19 107.56 1hjk n GLY 27 Ca 0.02 -0.97 -0.41 0.00 0.00 0.00 0.00 46.02 44.66 1hjk n GLY 27 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1hjk s ASP 28 N -2.39 6.94 0.24 1.61 -1.08 -1.26 -4.95 116.67 115.78 1hjk s ASP 28 Ca 0.14 2.34 0.13 0.00 -0.52 0.00 0.00 52.55 54.65 1hjk s ASP 28 Cb -0.01 -2.61 0.05 0.00 -1.46 0.00 0.00 42.92 38.89 1hjk s ASP 28 CO 0.00 -0.49 1.43 1.56 0.52 0.00 0.00 175.17 178.19 1hjk h GLN 29 N 5.44 0.00 -0.82 4.34 1.08 -2.02 -3.40 115.11 119.72 1hjk h GLN 29 Ca -0.44 0.00 0.20 0.00 -1.45 0.00 0.00 58.65 56.96 1hjk h GLN 29 Cb 1.21 0.00 -0.15 0.00 -0.05 0.00 0.00 27.48 28.49 1hjk h GLN 29 CO 0.77 0.64 -0.06 2.41 -0.95 0.00 0.00 178.83 181.63 1hjk n THR 30 N -3.30 -0.35 -0.03 -0.54 -1.04 -1.26 -1.36 114.28 106.40 1hjk n THR 30 Ca 0.01 1.84 -0.15 0.00 -2.04 0.00 0.00 64.05 63.71 1hjk n THR 30 Cb 0.77 -2.63 -0.09 0.00 -1.82 0.00 0.00 70.33 66.56 1hjk n THR 30 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1hjk h ALA 31 N 1.64 0.16 -0.30 2.41 0.00 -1.99 -0.07 119.26 121.12 1hjk h ALA 31 Ca 0.46 -0.44 0.06 0.00 0.00 0.00 0.00 54.91 55.00 1hjk h ALA 31 Cb 0.88 -0.01 -0.06 0.00 0.00 0.00 0.00 17.79 18.59 1hjk h ALA 31 CO -0.80 0.22 -0.11 0.00 0.00 0.00 0.00 179.25 178.56 1hjk h ALA 32 N 0.46 0.14 -0.34 0.00 0.00 -1.50 0.17 119.26 118.19 1hjk h ALA 32 Ca -0.02 0.11 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 1hjk h ALA 32 Cb 0.97 0.29 -0.02 0.00 0.00 0.00 0.00 17.79 19.04 1hjk h ALA 32 CO 0.07 -0.50 0.17 1.25 0.00 0.00 0.00 179.25 180.24 1hjk h LEU 33 N -0.06 0.43 -0.87 0.00 5.85 -1.24 -1.22 115.31 118.20 1hjk h LEU 33 Ca 0.15 -0.11 0.14 0.00 0.84 0.00 0.00 57.88 58.90 1hjk h LEU 33 Cb 0.28 -0.11 -0.09 0.00 0.37 0.00 0.00 40.66 41.11 1hjk h LEU 33 CO -0.34 0.42 0.47 0.03 -0.34 0.00 0.00 178.44 178.68 1hjk h ARG 34 N 0.41 0.66 0.00 1.25 3.08 -0.04 -0.88 114.38 118.87 1hjk h ARG 34 Ca 0.12 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.13 1hjk h ARG 34 Cb 0.09 -0.15 0.00 0.00 0.08 0.00 0.00 29.97 29.99 1hjk h ARG 34 CO -0.02 0.44 0.00 -0.25 -1.07 0.00 0.00 179.97 179.07 1hjk n ASP 35 N -4.83 0.23 -1.20 7.04 8.00 0.49 -2.44 116.55 123.85 1hjk n ASP 35 Ca 0.17 0.57 0.08 0.00 0.71 0.00 0.00 54.79 56.33 1hjk n ASP 35 Cb 0.42 -0.62 0.29 0.00 -0.02 0.00 0.00 41.12 41.20 1hjk n ASP 35 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 1hjk n SER 36 N -1.77 4.24 -4.44 -2.24 3.41 -0.34 -4.16 113.62 108.33 1hjk n SER 36 Ca 0.02 -2.63 -0.38 0.00 -0.26 0.00 0.00 58.87 55.62 1hjk n SER 36 Cb 0.13 -0.51 -0.12 0.00 -0.26 0.00 0.00 64.21 63.45 1hjk n SER 36 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1hjk s LEU 37 N -2.16 3.93 -0.13 1.04 1.43 -1.02 -4.67 118.68 117.11 1hjk s LEU 37 Ca 0.43 -0.45 -0.10 0.00 -1.03 0.00 0.00 54.13 52.98 1hjk s LEU 37 Cb 0.31 -1.98 0.04 0.00 0.03 0.00 0.00 46.19 44.59 1hjk s LEU 37 CO 0.16 -0.15 0.33 -0.55 0.23 0.00 0.00 176.35 176.36 1hjk s SER 38 N 1.61 -0.36 0.00 2.29 0.15 -1.26 -5.02 113.70 111.11 1hjk s SER 38 Ca 0.05 0.68 0.21 0.00 0.70 0.00 0.00 55.95 57.59 1hjk s SER 38 Cb -0.17 0.63 0.43 0.00 -1.71 0.00 0.00 66.02 65.20 1hjk s SER 38 CO 0.06 -0.14 1.37 -0.90 1.20 0.00 0.00 173.24 174.83 1hjk n ASP 39 N 3.44 3.40 -4.39 5.45 5.68 -1.26 0.55 116.55 129.43 1hjk n ASP 39 Ca -0.18 -1.96 -0.31 0.00 -0.50 0.00 0.00 54.79 51.84 1hjk n ASP 39 Cb 0.56 -0.27 0.18 0.00 -1.14 0.00 0.00 41.12 40.45 1hjk n ASP 39 CO 0.00 0.00 0.00 0.29 -1.33 0.00 0.00 177.20 176.16 1hjk n LYS 40 N 1.37 -1.38 -2.28 0.11 4.76 -1.26 -4.83 118.16 114.65 1hjk n LYS 40 Ca 0.19 -0.37 -0.35 0.00 -2.87 0.00 0.00 58.31 54.90 1hjk n LYS 40 Cb 0.57 -1.90 -0.00 0.00 -1.84 0.00 0.00 35.03 31.85 1hjk n LYS 40 CO 0.00 0.00 0.00 -2.14 -1.37 0.00 0.00 177.40 173.89 1hjk s PRO 41 N -3.81 3.47 -0.12 1.97 0.02 -1.26 -4.46 135.00 130.81 1hjk s PRO 41 Ca 0.60 1.63 -0.21 0.00 0.02 0.00 0.00 61.00 63.03 1hjk s PRO 41 Cb -0.18 -2.09 -0.03 0.00 0.02 0.00 0.00 34.50 32.21 1hjk s PRO 41 CO 0.66 -0.76 0.61 0.00 -0.33 0.00 0.00 177.00 177.18 1hjk s ALA 42 N -1.74 3.44 0.06 -1.55 0.00 0.19 -4.88 121.76 117.28 1hjk s ALA 42 Ca 0.71 -0.08 -0.12 0.00 0.00 0.00 0.00 51.96 52.47 1hjk s ALA 42 Cb -0.24 -2.87 -0.28 0.00 0.00 0.00 0.00 23.12 19.73 1hjk s ALA 42 CO 0.28 -0.21 1.11 -0.22 0.00 0.00 0.00 175.76 176.72 1hjk h LYS 43 N 6.97 0.51 -4.94 0.00 3.64 -0.73 -3.38 116.57 118.64 1hjk h LYS 43 Ca -0.38 -0.74 -0.34 0.00 -1.27 0.00 0.00 60.65 57.92 1hjk h LYS 43 Cb 1.17 0.25 -0.14 0.00 -0.41 0.00 0.00 32.23 33.10 1hjk h LYS 43 CO 0.76 1.33 -0.64 -0.80 -2.27 0.00 0.00 179.45 177.83 1hjk s ASN 44 N -7.37 1.45 -0.07 4.20 0.01 -0.97 -3.71 114.94 108.49 1hjk s ASN 44 Ca -0.08 -1.26 -0.03 0.00 -0.71 0.00 0.00 52.86 50.78 1hjk s ASN 44 Cb 0.06 0.09 0.04 0.00 0.41 0.00 0.00 41.25 41.85 1hjk s ASN 44 CO 0.92 -0.60 0.16 -0.63 -1.51 0.00 0.00 177.10 175.43 1hjk s ILE 45 N -3.60 -0.10 -0.22 0.60 1.01 -0.49 -2.19 121.20 116.22 1hjk s ILE 45 Ca 0.30 0.22 0.00 0.00 0.00 0.00 0.00 60.65 61.17 1hjk s ILE 45 Cb 0.07 -0.27 0.03 0.00 0.01 0.00 0.00 42.46 42.30 1hjk s ILE 45 CO 0.09 0.09 -0.13 -0.63 0.00 0.00 0.00 174.94 174.35 1hjk s ILE 46 N 1.43 2.38 -0.53 2.92 1.01 -0.77 -0.90 121.20 126.74 1hjk s ILE 46 Ca -0.07 -1.08 -0.08 0.00 0.00 0.00 0.00 60.65 59.42 1hjk s ILE 46 Cb -0.12 -2.15 0.14 0.00 0.01 0.00 0.00 42.46 40.34 1hjk s ILE 46 CO -0.06 0.32 0.39 -0.22 0.00 0.00 0.00 174.94 175.37 1hjk s LEU 47 N 1.27 5.69 -0.17 2.97 2.96 0.09 -1.82 118.68 129.67 1hjk s LEU 47 Ca 0.01 -2.15 -0.24 0.00 -0.22 0.00 0.00 54.13 51.52 1hjk s LEU 47 Cb -0.16 -1.99 -0.02 0.00 0.50 0.00 0.00 46.19 44.53 1hjk s LEU 47 CO -0.08 -0.62 0.78 -0.76 -1.32 0.00 0.00 176.35 174.35 1hjk s LEU 48 N 0.99 4.17 -0.19 -0.68 2.01 0.30 -0.78 118.68 124.51 1hjk s LEU 48 Ca 0.09 1.09 0.01 0.00 0.01 0.00 0.00 54.13 55.33 1hjk s LEU 48 Cb -0.23 -3.14 0.03 0.00 0.01 0.00 0.00 46.19 42.85 1hjk s LEU 48 CO -0.02 -0.36 -0.18 -0.63 1.01 0.00 0.00 176.35 176.17 1hjk s ILE 49 N 2.05 2.04 -0.49 -0.59 -1.09 -0.14 -1.67 121.20 121.31 1hjk s ILE 49 Ca 0.36 -1.05 -0.18 0.00 -2.23 0.00 0.00 60.65 57.55 1hjk s ILE 49 Cb -0.16 -1.91 0.06 0.00 -1.58 0.00 0.00 42.46 38.87 1hjk s ILE 49 CO 0.12 0.42 0.56 -0.83 -1.23 0.00 0.00 174.94 173.98 1hjk s GLY 50 N 1.27 1.85 0.09 6.18 0.00 0.10 -0.59 107.32 116.23 1hjk s GLY 50 Ca 0.02 -1.83 -0.31 0.00 0.00 0.00 0.00 44.72 42.60 1hjk s GLY 50 CO -0.11 1.35 1.71 -0.35 0.00 0.00 0.00 173.10 175.70 1hjk s ASP 51 N 2.64 6.54 0.00 1.64 -1.08 -1.05 -1.52 116.67 123.84 1hjk s ASP 51 Ca 0.12 2.58 0.00 0.00 -0.52 0.00 0.00 52.55 54.73 1hjk s ASP 51 Cb -0.20 -2.56 0.00 0.00 -1.46 0.00 0.00 42.92 38.69 1hjk s ASP 51 CO 0.11 -0.93 0.00 0.61 0.52 0.00 0.00 175.17 175.48 1hjk n GLY 52 N 4.08 0.60 2.94 2.66 0.00 -1.24 -1.96 105.19 112.26 1hjk n GLY 52 Ca 0.16 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.76 1hjk n GLY 52 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 1hjk n MET 53 N -1.96 2.13 0.00 1.61 1.56 -0.58 -3.79 117.12 116.10 1hjk n MET 53 Ca 0.00 -2.21 0.00 0.00 -0.27 0.00 0.00 57.70 55.22 1hjk n MET 53 Cb 0.05 -3.10 0.00 0.00 2.15 0.00 0.00 33.22 32.31 1hjk n MET 53 CO 0.00 0.00 0.00 0.41 -0.73 0.00 0.00 175.97 175.65 1hjk n GLY 54 N 4.36 -1.09 0.33 -5.12 0.00 -1.26 -4.49 105.19 97.93 1hjk n GLY 54 Ca 0.51 -1.66 -0.03 0.00 0.00 0.00 0.00 46.02 44.83 1hjk n GLY 54 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1hjk h ASP 55 N -0.00 0.91 -0.18 1.61 5.19 -1.93 -1.91 116.42 120.12 1hjk h ASP 55 Ca 0.00 -0.12 0.02 0.00 -0.62 0.00 0.00 57.03 56.31 1hjk h ASP 55 Cb 0.00 -0.23 -0.02 0.00 0.18 0.00 0.00 39.33 39.26 1hjk h ASP 55 CO 0.00 0.80 0.05 -1.28 -3.12 0.00 0.00 179.24 175.68 1hjk h SER 56 N 0.98 0.04 -0.51 6.45 0.87 -1.92 0.27 113.55 119.74 1hjk h SER 56 Ca 0.23 0.02 0.02 0.00 -1.23 0.00 0.00 61.79 60.84 1hjk h SER 56 Cb 0.16 0.02 -0.03 0.00 -0.44 0.00 0.00 62.40 62.11 1hjk h SER 56 CO -0.02 0.05 0.31 -0.33 -0.53 0.00 0.00 176.83 176.30 1hjk h GLU 57 N 0.12 0.60 0.33 2.24 3.07 -1.72 -0.39 114.58 118.82 1hjk h GLU 57 Ca 0.08 -0.04 -0.02 0.00 -0.50 0.00 0.00 59.36 58.88 1hjk h GLU 57 Cb 0.06 -0.13 0.00 0.00 -0.84 0.00 0.00 28.75 27.84 1hjk h GLU 57 CO -0.09 0.39 -0.16 0.82 -1.40 0.00 0.00 179.01 178.57 1hjk h ILE 58 N 0.61 0.68 -0.37 3.13 2.04 -0.71 -2.28 117.51 120.61 1hjk h ILE 58 Ca 0.20 -0.02 0.05 0.00 1.00 0.00 0.00 64.86 66.09 1hjk h ILE 58 Cb 0.00 0.69 -0.04 0.00 -0.74 0.00 0.00 36.82 36.73 1hjk h ILE 58 CO -0.08 0.00 0.12 0.74 0.00 0.00 0.00 178.15 178.93 1hjk h THR 59 N -0.45 0.87 -0.02 -0.27 2.02 -0.37 -2.22 112.91 112.46 1hjk h THR 59 Ca -0.05 -0.09 0.03 0.00 0.77 0.00 0.00 66.41 67.07 1hjk h THR 59 Cb 0.35 0.58 -0.04 0.00 -1.74 0.00 0.00 68.15 67.31 1hjk h THR 59 CO 0.07 0.05 -0.17 0.00 0.37 0.00 0.00 175.52 175.84 1hjk h ALA 60 N 1.25 -0.19 -0.49 6.16 0.00 -0.97 -1.75 119.26 123.26 1hjk h ALA 60 Ca 0.17 0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.07 1hjk h ALA 60 Cb 0.17 0.31 -0.02 0.00 0.00 0.00 0.00 17.79 18.24 1hjk h ALA 60 CO -0.19 -0.66 0.22 0.00 0.00 0.00 0.00 179.25 178.62 1hjk h ALA 61 N 0.67 1.47 0.39 0.00 0.00 -1.28 -2.42 119.26 118.10 1hjk h ALA 61 Ca 0.06 -0.11 -0.02 0.00 0.00 0.00 0.00 54.91 54.84 1hjk h ALA 61 Cb 0.35 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.94 1hjk h ALA 61 CO -0.18 0.42 -0.19 -0.09 0.00 0.00 0.00 179.25 179.21 1hjk h ARG 62 N 0.69 -0.51 -0.63 0.00 2.43 -1.11 -0.22 114.38 115.02 1hjk h ARG 62 Ca 0.17 0.03 0.10 0.00 -0.81 0.00 0.00 59.98 59.48 1hjk h ARG 62 Cb 0.10 0.12 -0.12 0.00 -0.42 0.00 0.00 29.97 29.65 1hjk h ARG 62 CO -0.02 -0.21 -0.39 -0.91 -1.51 0.00 0.00 179.97 176.92 1hjk h ASN 63 N -0.80 -1.36 0.71 -3.80 2.35 -1.26 1.15 115.58 112.56 1hjk h ASN 63 Ca -0.05 0.25 -0.03 0.00 -0.55 0.00 0.00 56.30 55.91 1hjk h ASN 63 Cb 0.53 0.65 0.01 0.00 0.05 0.00 0.00 38.32 39.56 1hjk h ASN 63 CO 0.09 -0.32 -0.34 0.22 -1.65 0.00 0.00 177.43 175.43 1hjk h TYR 64 N -0.17 -0.89 0.00 1.19 5.03 -1.49 -1.98 116.97 118.66 1hjk h TYR 64 Ca 0.22 -0.02 0.00 0.00 2.58 0.00 0.00 58.73 61.51 1hjk h TYR 64 Cb 0.56 0.29 0.00 0.00 1.55 0.00 0.00 36.73 39.13 1hjk h TYR 64 CO -0.70 -0.55 0.00 0.00 -1.32 0.00 0.00 178.16 175.59 1hjk h ALA 65 N -1.35 1.00 0.00 1.82 0.00 -0.80 -0.73 119.26 119.19 1hjk h ALA 65 Ca -0.10 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.81 1hjk h ALA 65 Cb 0.73 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.52 1hjk h ALA 65 CO 0.16 0.00 -0.49 0.39 0.00 0.00 0.00 179.25 179.31 1hjk n GLU 66 N -3.04 2.69 0.00 0.00 -0.58 0.38 -4.90 120.64 115.20 1hjk n GLU 66 Ca 0.04 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.78 1hjk n GLU 66 Cb 0.50 -0.71 0.00 0.00 -0.57 0.00 0.00 31.44 30.66 1hjk n GLU 66 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1hjk n GLY 67 N 1.38 2.19 0.35 0.62 0.00 0.00 -3.98 105.19 105.76 1hjk n GLY 67 Ca 0.00 -1.84 0.02 0.00 0.00 0.00 0.00 46.02 44.20 1hjk n GLY 67 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1hjk h ALA 68 N 0.00 1.32 -0.48 4.61 0.00 -1.80 0.36 119.26 123.27 1hjk h ALA 68 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1hjk h ALA 68 Cb 0.00 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 17.52 1hjk h ALA 68 CO 0.00 0.37 0.00 0.41 0.00 0.00 0.00 179.25 180.03 1hjk n GLY 69 N -1.35 1.65 2.89 0.00 0.00 -1.26 -4.87 105.19 102.25 1hjk n GLY 69 Ca 0.14 -0.57 -0.24 0.00 0.00 0.00 0.00 46.02 45.36 1hjk n GLY 69 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1hjk n GLY 70 N 1.10 -2.32 3.30 -0.02 0.00 0.12 0.10 105.19 107.46 1hjk n GLY 70 Ca 0.17 -1.55 -0.13 0.00 0.00 0.00 0.00 46.02 44.52 1hjk n GLY 70 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1hjk s PHE 71 N -2.81 -0.47 -0.36 1.61 5.36 -1.26 -4.67 117.98 115.38 1hjk s PHE 71 Ca 0.58 1.12 -0.18 0.00 -0.96 0.00 0.00 56.93 57.48 1hjk s PHE 71 Cb -0.04 0.17 0.00 0.00 -0.34 0.00 0.00 43.02 42.80 1hjk s PHE 71 CO 0.43 -0.23 0.53 -0.06 -1.46 0.00 0.00 175.22 174.43 1hjk s PHE 72 N 0.34 3.17 0.50 10.12 0.08 -1.26 -4.98 117.98 125.94 1hjk s PHE 72 Ca -0.01 0.14 0.26 0.00 0.12 0.00 0.00 56.93 57.44 1hjk s PHE 72 Cb -0.03 -2.98 1.34 0.00 -0.57 0.00 0.00 43.02 40.78 1hjk s PHE 72 CO -0.01 -0.59 1.89 0.87 -0.10 0.00 0.00 175.22 177.29 1hjk h LYS 73 N 8.51 0.13 0.00 0.44 1.57 -1.96 -2.82 116.57 122.45 1hjk h LYS 73 Ca -0.27 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.50 1hjk h LYS 73 Cb 1.12 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 33.40 1hjk h LYS 73 CO 0.79 0.09 0.00 0.41 -0.57 0.00 0.00 179.45 180.17 1hjk n GLY 74 N -1.64 -0.08 0.30 3.86 0.00 -1.26 -4.33 105.19 102.04 1hjk n GLY 74 Ca 0.18 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.28 1hjk n GLY 74 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1hjk n ILE 75 N -1.07 -0.36 1.27 -0.61 5.41 -1.26 -0.16 119.36 122.59 1hjk n ILE 75 Ca 0.00 1.91 0.13 0.00 1.00 0.00 0.00 62.75 65.79 1hjk n ILE 75 Cb 0.00 -2.70 0.46 0.00 -0.71 0.00 0.00 39.64 36.69 1hjk n ILE 75 CO 0.00 0.00 0.00 0.47 0.00 0.00 0.00 176.55 177.02 1hjk n ASP 76 N -5.32 0.73 0.19 4.38 8.00 -1.06 -4.33 116.55 119.15 1hjk n ASP 76 Ca 0.16 -0.66 0.13 0.00 0.71 0.00 0.00 54.79 55.13 1hjk n ASP 76 Cb 0.52 0.05 0.36 0.00 -0.02 0.00 0.00 41.12 42.02 1hjk n ASP 76 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1hjk h ALA 77 N 3.56 1.00 -2.28 2.24 0.00 -0.58 -3.46 119.26 119.74 1hjk h ALA 77 Ca 0.00 0.00 -0.54 0.00 0.00 0.00 0.00 54.91 54.37 1hjk h ALA 77 Cb 0.45 0.00 0.01 0.00 0.00 0.00 0.00 17.79 18.25 1hjk h ALA 77 CO 0.00 0.00 1.20 -0.51 0.00 0.00 0.00 179.25 179.94 1hjk s LEU 78 N -5.61 4.30 0.32 0.00 1.43 -1.26 -1.78 118.68 116.07 1hjk s LEU 78 Ca 0.07 2.42 0.05 0.00 -1.03 0.00 0.00 54.13 55.63 1hjk s LEU 78 Cb 0.08 -3.53 0.54 0.00 0.03 0.00 0.00 46.19 43.31 1hjk s LEU 78 CO 0.60 -1.09 1.80 1.55 0.23 0.00 0.00 176.35 179.44 1hjk h PRO 79 N 10.60 0.43 -4.93 1.29 0.13 -1.87 -3.43 132.00 134.22 1hjk h PRO 79 Ca -0.45 -0.13 -0.66 0.00 -0.87 0.00 0.00 66.00 63.90 1hjk h PRO 79 Cb 1.21 -0.04 -0.24 0.00 0.13 0.00 0.00 31.00 32.07 1hjk h PRO 79 CO 0.95 0.59 -0.63 -0.51 -0.23 0.00 0.00 178.00 178.17 1hjk s LEU 80 N -8.76 3.47 0.15 1.56 2.01 -1.21 -5.03 118.68 110.87 1hjk s LEU 80 Ca -0.07 -0.32 0.11 0.00 0.01 0.00 0.00 54.13 53.87 1hjk s LEU 80 Cb 0.15 -1.90 -0.04 0.00 0.01 0.00 0.00 46.19 44.40 1hjk s LEU 80 CO 0.77 -0.06 -0.25 0.42 1.01 0.00 0.00 176.35 178.24 1hjk s THR 81 N 1.58 2.34 0.00 5.49 -4.23 -1.26 -1.23 115.64 118.33 1hjk s THR 81 Ca 0.06 -1.83 0.00 0.00 -1.18 0.00 0.00 61.69 58.74 1hjk s THR 81 Cb -0.15 -2.07 0.00 0.00 1.34 0.00 0.00 72.50 71.62 1hjk s THR 81 CO 0.03 0.02 0.00 0.61 -0.54 0.00 0.00 174.62 174.74 1hjk n GLY 82 N 0.68 3.05 2.88 3.99 0.00 0.35 -3.79 105.19 112.36 1hjk n GLY 82 Ca -0.16 -1.24 -0.15 0.00 0.00 0.00 0.00 46.02 44.48 1hjk n GLY 82 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1hjk s GLN 83 N -1.42 0.23 0.01 1.61 1.11 -0.07 -2.48 119.66 118.63 1hjk s GLN 83 Ca 0.00 -0.03 0.02 0.00 0.01 0.00 0.00 55.36 55.36 1hjk s GLN 83 Cb 0.00 -0.28 -0.01 0.00 -1.01 0.00 0.00 33.01 31.71 1hjk s GLN 83 CO 0.00 -0.01 -0.07 1.52 0.01 0.00 0.00 175.29 176.74 1hjk s TYR 84 N 0.29 0.65 0.19 0.91 -0.85 -0.74 -1.39 117.35 116.41 1hjk s TYR 84 Ca -0.03 -0.21 -0.12 0.00 -0.52 0.00 0.00 57.07 56.20 1hjk s TYR 84 Cb -0.05 -0.41 -0.07 0.00 0.38 0.00 0.00 41.96 41.81 1hjk s TYR 84 CO -0.01 -0.02 0.55 0.95 -1.52 0.00 0.00 175.55 175.50 1hjk s THR 85 N -0.45 4.90 -0.06 -3.49 -4.23 -0.63 -2.69 115.64 108.99 1hjk s THR 85 Ca -0.00 0.65 0.11 0.00 -1.18 0.00 0.00 61.69 61.27 1hjk s THR 85 Cb -0.04 -3.67 0.20 0.00 1.34 0.00 0.00 72.50 70.33 1hjk s THR 85 CO 0.00 0.09 1.10 0.00 -0.54 0.00 0.00 174.62 175.26 1hjk n HIS 86 N 0.33 0.00 -1.45 3.99 1.44 -1.26 -1.72 115.22 116.56 1hjk n HIS 86 Ca -0.02 -0.52 -0.38 0.00 -2.01 0.00 0.00 57.72 54.79 1hjk n HIS 86 Cb 0.52 -0.12 0.03 0.00 0.12 0.00 0.00 29.99 30.55 1hjk n HIS 86 CO 0.00 0.00 0.00 2.48 -2.81 0.00 0.00 176.34 176.01 1hjk n TYR 87 N -0.39 -0.88 -2.91 -1.40 0.18 -1.26 -4.45 117.16 106.04 1hjk n TYR 87 Ca 0.07 0.45 0.00 0.00 1.88 0.00 0.00 57.90 60.30 1hjk n TYR 87 Cb 0.77 -1.93 0.00 0.00 -0.38 0.00 0.00 39.34 37.80 1hjk n TYR 87 CO 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 176.86 174.78 1hjk n ALA 88 N -1.64 0.00 -2.72 -3.48 0.00 0.19 -4.91 120.51 107.95 1hjk n ALA 88 Ca 0.11 0.00 -0.18 0.00 0.00 0.00 0.00 53.44 53.37 1hjk n ALA 88 Cb 0.47 0.00 -0.12 0.00 0.00 0.00 0.00 19.45 19.80 1hjk n ALA 88 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1hjk s LEU 89 N 0.00 2.28 -0.19 0.00 1.43 -0.86 -1.09 118.68 120.24 1hjk s LEU 89 Ca 0.00 -0.61 -0.26 0.00 -1.03 0.00 0.00 54.13 52.23 1hjk s LEU 89 Cb 0.00 -0.48 -0.01 0.00 0.03 0.00 0.00 46.19 45.73 1hjk s LEU 89 CO 0.00 -0.09 0.88 0.21 0.23 0.00 0.00 176.35 177.58 1hjk s ASN 90 N -1.73 6.97 0.17 2.29 3.84 0.81 -4.03 114.94 123.25 1hjk s ASN 90 Ca -0.03 1.20 -0.18 0.00 0.21 0.00 0.00 52.86 54.06 1hjk s ASN 90 Cb -0.10 -2.47 0.10 0.00 -0.55 0.00 0.00 41.25 38.23 1hjk s ASN 90 CO 0.02 -0.48 1.65 0.50 -2.79 0.00 0.00 177.10 176.01 1hjk h LYS 91 N 7.43 -0.05 -0.05 0.43 3.64 -1.93 0.68 116.57 126.73 1hjk h LYS 91 Ca -0.26 0.00 0.01 0.00 -1.27 0.00 0.00 60.65 59.14 1hjk h LYS 91 Cb 1.11 0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 32.93 1hjk h LYS 91 CO 0.87 -0.04 -0.04 -0.22 -2.27 0.00 0.00 179.45 177.75 1hjk h LYS 92 N -0.06 -0.05 -0.01 1.90 1.63 -1.94 -3.33 116.57 114.71 1hjk h LYS 92 Ca 0.19 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 60.00 1hjk h LYS 92 Cb 0.35 0.01 0.00 0.00 -0.60 0.00 0.00 32.23 31.99 1hjk h LYS 92 CO -0.44 -0.04 -0.25 0.25 -3.45 0.00 0.00 179.45 175.53 1hjk n THR 93 N -5.16 0.00 -0.81 1.00 -2.24 -1.14 -4.98 114.28 100.95 1hjk n THR 93 Ca -0.05 -0.38 0.00 0.00 -2.27 0.00 0.00 64.05 61.35 1hjk n THR 93 Cb 0.09 1.15 0.00 0.00 -2.10 0.00 0.00 70.33 69.47 1hjk n THR 93 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1hjk n GLY 94 N 0.99 0.14 3.89 3.38 0.00 0.24 -4.94 105.19 108.88 1hjk n GLY 94 Ca 0.05 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.78 1hjk n GLY 94 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1hjk s LYS 95 N -1.25 3.44 0.51 1.61 1.02 -1.26 -4.72 119.74 119.09 1hjk s LYS 95 Ca 0.00 0.40 -0.21 0.00 0.02 0.00 0.00 55.97 56.18 1hjk s LYS 95 Cb 0.00 -2.23 -0.06 0.00 -0.52 0.00 0.00 37.83 35.02 1hjk s LYS 95 CO 0.00 -0.46 1.19 -2.14 -0.92 0.00 0.00 175.35 173.01 1hjk s PRO 96 N -4.98 3.49 -0.29 -1.68 0.02 -1.26 -0.14 135.00 130.16 1hjk s PRO 96 Ca 0.52 1.80 0.03 0.00 0.02 0.00 0.00 61.00 63.37 1hjk s PRO 96 Cb -0.11 -2.24 0.08 0.00 0.02 0.00 0.00 34.50 32.25 1hjk s PRO 96 CO 0.49 -0.78 -0.04 0.34 -0.33 0.00 0.00 177.00 176.68 1hjk s ASP 97 N -1.43 4.50 0.64 2.53 -1.08 -0.25 -4.68 116.67 116.90 1hjk s ASP 97 Ca 0.68 -1.67 0.40 0.00 -0.52 0.00 0.00 52.55 51.45 1hjk s ASP 97 Cb -0.29 -1.53 2.19 0.00 -1.46 0.00 0.00 42.92 41.83 1hjk s ASP 97 CO 0.34 -0.27 2.31 1.88 0.52 0.00 0.00 175.17 179.96 1hjk h TYR 98 N 7.74 0.00 -3.65 -5.34 0.05 -1.95 0.54 116.97 114.36 1hjk h TYR 98 Ca -0.13 0.00 -0.64 0.00 0.05 0.00 0.00 58.73 58.01 1hjk h TYR 98 Cb 1.03 0.00 -0.37 0.00 1.01 0.00 0.00 36.73 38.40 1hjk h TYR 98 CO 0.55 0.01 -0.80 0.08 -1.05 0.00 0.00 178.16 176.95 1hjk s VAL 99 N -4.23 1.82 0.47 -2.88 1.01 -1.26 -4.53 120.40 110.80 1hjk s VAL 99 Ca -0.05 -1.31 -0.04 0.00 0.00 0.00 0.00 61.98 60.58 1hjk s VAL 99 Cb 0.13 -1.96 -0.03 0.00 0.00 0.00 0.00 36.38 34.52 1hjk s VAL 99 CO 0.46 0.02 0.76 0.28 0.00 0.00 0.00 175.10 176.61 1hjk s THR 100 N 1.28 4.74 0.00 3.92 -1.32 -1.26 -4.80 115.64 118.20 1hjk s THR 100 Ca -0.05 0.04 0.00 0.00 -1.21 0.00 0.00 61.69 60.47 1hjk s THR 100 Cb -0.18 -3.79 0.00 0.00 -1.51 0.00 0.00 72.50 67.01 1hjk s THR 100 CO -0.06 -0.73 0.00 -0.90 -2.21 0.00 0.00 174.62 170.71 1hjk n ASP 101 N -2.22 0.00 0.00 8.08 5.75 -1.26 -4.93 116.55 121.97 1hjk n ASP 101 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.78 1hjk n ASP 101 Cb 0.56 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.65 1hjk n ASP 101 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1hjk n ALA 103 N -3.00 0.00 0.08 2.12 0.00 -1.26 -2.70 120.51 115.74 1hjk n ALA 103 Ca 0.00 0.00 0.04 0.00 0.00 0.00 0.00 53.44 53.48 1hjk n ALA 103 Cb 0.00 0.00 0.43 0.00 0.00 0.00 0.00 19.45 19.88 1hjk n ALA 103 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1hjk h ALA 104 N 0.00 1.65 -0.09 0.00 0.00 -1.75 -1.67 119.26 117.40 1hjk h ALA 104 Ca 0.00 -0.10 -0.03 0.00 0.00 0.00 0.00 54.91 54.78 1hjk h ALA 104 Cb 0.00 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 17.68 1hjk h ALA 104 CO 0.00 0.27 -0.06 0.66 0.00 0.00 0.00 179.25 180.12 1hjk h SER 105 N 0.36 0.21 -0.77 0.00 4.64 -1.85 -3.08 113.55 113.05 1hjk h SER 105 Ca 0.09 -0.44 0.03 0.00 -0.47 0.00 0.00 61.79 61.00 1hjk h SER 105 Cb 0.13 -0.06 -0.05 0.00 -0.31 0.00 0.00 62.40 62.11 1hjk h SER 105 CO -0.01 0.61 0.49 0.00 -0.87 0.00 0.00 176.83 177.05 1hjk h ALA 106 N 0.61 1.02 -0.70 5.18 0.00 -1.80 -2.38 119.26 121.19 1hjk h ALA 106 Ca 0.02 -0.03 0.13 0.00 0.00 0.00 0.00 54.91 55.03 1hjk h ALA 106 Cb 0.53 -0.26 -0.09 0.00 0.00 0.00 0.00 17.79 17.97 1hjk h ALA 106 CO 0.02 0.30 0.23 1.15 0.00 0.00 0.00 179.25 180.94 1hjk h THR 107 N 0.96 0.64 0.24 0.00 2.02 -1.25 -0.60 112.91 114.91 1hjk h THR 107 Ca 0.31 -0.13 -0.01 0.00 0.77 0.00 0.00 66.41 67.35 1hjk h THR 107 Cb 0.02 0.25 0.00 0.00 -1.74 0.00 0.00 68.15 66.67 1hjk h THR 107 CO -0.11 0.07 -0.12 0.00 0.37 0.00 0.00 175.52 175.72 1hjk h ALA 108 N 1.52 -0.33 0.00 6.16 0.00 -1.35 -0.11 119.26 125.16 1hjk h ALA 108 Ca 0.38 -0.07 -0.09 0.00 0.00 0.00 0.00 54.91 55.13 1hjk h ALA 108 Cb 0.57 0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.49 1hjk h ALA 108 CO -0.41 -0.69 -0.43 0.11 0.00 0.00 0.00 179.25 177.84 1hjk h TRP 109 N -0.33 0.00 0.00 0.00 0.09 -1.32 -0.90 115.95 113.49 1hjk h TRP 109 Ca -0.03 0.00 0.00 0.00 0.09 0.00 0.00 58.89 58.95 1hjk h TRP 109 Cb 0.26 0.00 0.00 0.00 0.08 0.00 0.00 29.16 29.50 1hjk h TRP 109 CO -0.07 0.43 -0.58 0.66 0.09 0.00 0.00 178.44 178.97 1hjk h SER 110 N 0.00 0.00 0.00 0.11 4.64 -1.00 -3.25 113.55 114.05 1hjk h SER 110 Ca -0.00 -0.15 0.00 0.00 -0.47 0.00 0.00 61.79 61.16 1hjk h SER 110 Cb 0.97 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.06 1hjk h SER 110 CO 0.06 0.08 -0.50 0.35 -0.87 0.00 0.00 176.83 175.94 1hjk n THR 111 N -2.25 0.00 -0.12 2.95 -2.24 -0.06 0.80 114.28 113.35 1hjk n THR 111 Ca 0.03 -0.06 0.00 0.00 -2.27 0.00 0.00 64.05 61.75 1hjk n THR 111 Cb 0.46 0.44 0.00 0.00 -2.10 0.00 0.00 70.33 69.12 1hjk n THR 111 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1hjk n GLY 112 N 1.37 1.46 3.69 3.38 0.00 -0.34 -4.90 105.19 109.84 1hjk n GLY 112 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.67 1hjk n GLY 112 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1hjk s VAL 113 N -2.67 4.31 0.71 1.61 0.11 -1.26 -4.86 120.40 118.34 1hjk s VAL 113 Ca 0.00 -0.29 -0.11 0.00 -2.93 0.00 0.00 61.98 58.65 1hjk s VAL 113 Cb 0.00 -2.83 0.02 0.00 -1.53 0.00 0.00 36.38 32.04 1hjk s VAL 113 CO 0.00 0.57 1.07 -0.54 -3.33 0.00 0.00 175.10 172.87 1hjk s LYS 114 N -0.99 2.81 0.33 1.54 -0.14 -1.26 -3.69 119.74 118.34 1hjk s LYS 114 Ca 0.14 0.97 -0.15 0.00 -1.36 0.00 0.00 55.97 55.58 1hjk s LYS 114 Cb -0.11 -1.97 0.03 0.00 -1.68 0.00 0.00 37.83 34.09 1hjk s LYS 114 CO 0.04 -1.19 0.67 -0.08 -0.76 0.00 0.00 175.35 174.02 1hjk s THR 115 N -3.03 0.00 0.51 2.17 -1.32 -1.26 -4.49 115.64 108.22 1hjk s THR 115 Ca 0.59 -1.17 -0.18 0.00 -1.21 0.00 0.00 61.69 59.72 1hjk s THR 115 Cb -0.14 -2.49 -0.08 0.00 -1.51 0.00 0.00 72.50 68.28 1hjk s THR 115 CO 0.55 0.00 1.00 -0.72 -2.21 0.00 0.00 174.62 173.24 1hjk s TYR 116 N -3.16 3.30 0.43 9.09 1.13 -1.26 -2.03 117.35 124.86 1hjk s TYR 116 Ca 0.18 1.52 -0.26 0.00 -1.41 0.00 0.00 57.07 57.10 1hjk s TYR 116 Cb -0.04 -2.87 -0.09 0.00 -1.10 0.00 0.00 41.96 37.86 1hjk s TYR 116 CO 0.11 -0.49 1.40 0.09 -2.51 0.00 0.00 175.55 174.15 1hjk n ASN 117 N -1.40 3.17 0.00 -0.18 3.02 -1.26 -2.16 115.26 116.46 1hjk n ASN 117 Ca 0.07 1.13 0.00 0.00 -0.03 0.00 0.00 54.58 55.75 1hjk n ASN 117 Cb 0.54 -1.58 0.00 0.00 -0.61 0.00 0.00 39.78 38.13 1hjk n ASN 117 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1hjk n GLY 118 N 0.63 2.31 3.81 7.41 0.00 -1.26 -4.90 105.19 113.20 1hjk n GLY 118 Ca 0.05 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.76 1hjk n GLY 118 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1hjk s ALA 119 N -2.29 2.67 -0.28 4.61 0.00 -0.92 -0.44 121.76 125.11 1hjk s ALA 119 Ca 0.00 0.14 -0.01 0.00 0.00 0.00 0.00 51.96 52.09 1hjk s ALA 119 Cb 0.00 -3.19 0.13 0.00 0.00 0.00 0.00 23.12 20.06 1hjk s ALA 119 CO 0.00 -1.18 0.27 -0.51 0.00 0.00 0.00 175.76 174.33 1hjk s LEU 120 N -5.40 -0.13 -0.48 0.00 1.43 -1.08 -3.48 118.68 109.54 1hjk s LEU 120 Ca 0.59 -0.73 0.00 0.00 -1.03 0.00 0.00 54.13 52.96 1hjk s LEU 120 Cb -0.14 0.40 0.00 0.00 0.03 0.00 0.00 46.19 46.47 1hjk s LEU 120 CO 0.52 -0.39 0.00 0.61 0.23 0.00 0.00 176.35 177.33 1hjk n GLY 121 N 5.31 0.72 3.12 -3.19 0.00 -1.26 -1.37 105.19 108.52 1hjk n GLY 121 Ca -0.03 -0.66 -0.11 0.00 0.00 0.00 0.00 46.02 45.22 1hjk n GLY 121 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1hjk s VAL 122 N -2.12 0.57 0.00 1.61 -7.23 -1.26 -2.25 120.40 109.72 1hjk s VAL 122 Ca 0.00 -1.62 0.00 0.00 -1.81 0.00 0.00 61.98 58.55 1hjk s VAL 122 Cb 0.00 -1.27 0.00 0.00 0.56 0.00 0.00 36.38 35.67 1hjk s VAL 122 CO 0.00 -0.72 0.00 -0.90 -0.31 0.00 0.00 175.10 173.17 1hjk n ASP 123 N 0.50 0.00 0.27 4.85 5.68 -0.96 -4.76 116.55 122.14 1hjk n ASP 123 Ca -0.16 -0.68 0.15 0.00 -0.50 0.00 0.00 54.79 53.60 1hjk n ASP 123 Cb 0.59 0.00 0.74 0.00 -1.14 0.00 0.00 41.12 41.31 1hjk n ASP 123 CO 0.00 0.00 0.00 0.16 -1.33 0.00 0.00 177.20 176.03 1hjk h ILE 124 N -0.29 0.29 -0.01 2.12 3.07 -1.93 -0.33 117.51 120.44 1hjk h ILE 124 Ca 0.00 -0.55 0.00 0.00 1.55 0.00 0.00 64.86 65.86 1hjk h ILE 124 Cb 0.00 1.43 0.00 0.00 -0.27 0.00 0.00 36.82 37.98 1hjk h ILE 124 CO 0.00 0.08 0.00 1.41 -1.05 0.00 0.00 178.15 178.59 1hjk n HIS 125 N -3.32 0.00 -1.49 0.16 8.25 -1.26 -4.87 115.22 112.69 1hjk n HIS 125 Ca -0.01 -0.00 -0.11 0.00 -0.26 0.00 0.00 57.72 57.34 1hjk n HIS 125 Cb 0.27 0.00 -0.04 0.00 1.12 0.00 0.00 29.99 31.34 1hjk n HIS 125 CO 0.00 0.00 0.00 0.39 0.64 0.00 0.00 176.34 177.37 1hjk n GLU 126 N -0.64 -0.78 -3.25 -0.41 1.02 -0.13 -4.99 120.64 111.46 1hjk n GLU 126 Ca 0.22 0.82 -0.38 0.00 -0.02 0.00 0.00 57.16 57.79 1hjk n GLU 126 Cb 0.18 -4.80 -0.06 0.00 -0.02 0.00 0.00 31.44 26.74 1hjk n GLU 126 CO 0.00 0.00 0.00 0.21 1.18 0.00 0.00 177.13 178.52 1hjk s LYS 127 N -3.23 4.32 0.68 3.49 2.20 -1.26 -4.75 119.74 121.18 1hjk s LYS 127 Ca 0.00 0.60 -0.17 0.00 -0.36 0.00 0.00 55.97 56.04 1hjk s LYS 127 Cb 0.00 -3.40 0.01 0.00 -1.51 0.00 0.00 37.83 32.93 1hjk s LYS 127 CO 0.00 0.24 1.28 -0.51 -0.36 0.00 0.00 175.35 176.00 1hjk s ASP 128 N 0.30 4.41 -0.03 1.43 1.11 -1.26 -2.25 116.67 120.38 1hjk s ASP 128 Ca 0.29 2.57 -0.01 0.00 0.18 0.00 0.00 52.55 55.58 1hjk s ASP 128 Cb -0.17 -2.61 0.02 0.00 1.07 0.00 0.00 42.92 41.24 1hjk s ASP 128 CO 0.14 -2.13 0.07 -1.00 1.18 0.00 0.00 175.17 173.43 1hjk s HIS 129 N -1.55 -0.05 0.08 4.23 3.76 -0.95 -4.92 115.29 115.89 1hjk s HIS 129 Ca 0.81 0.23 -0.31 0.00 -0.15 0.00 0.00 55.06 55.63 1hjk s HIS 129 Cb -0.36 -0.10 -0.07 0.00 1.11 0.00 0.00 32.58 33.16 1hjk s HIS 129 CO 0.42 -0.09 1.45 -1.25 -0.85 0.00 0.00 174.74 174.42 1hjk s PRO 130 N 0.71 4.28 0.65 8.40 0.04 -1.26 -4.82 135.00 143.00 1hjk s PRO 130 Ca -0.06 2.10 -0.16 0.00 0.04 0.00 0.00 61.00 62.93 1hjk s PRO 130 Cb -0.08 -3.40 -0.00 0.00 0.04 0.00 0.00 34.50 31.06 1hjk s PRO 130 CO -0.03 -0.54 1.14 0.95 0.04 0.00 0.00 177.00 178.56 1hjk s THR 131 N 1.77 3.02 0.50 1.26 -4.23 -1.26 -4.61 115.64 112.08 1hjk s THR 131 Ca 0.66 0.51 0.19 0.00 -1.18 0.00 0.00 61.69 61.87 1hjk s THR 131 Cb -0.36 -3.05 0.34 0.00 1.34 0.00 0.00 72.50 70.76 1hjk s THR 131 CO 0.29 -0.26 2.04 -0.29 -0.54 0.00 0.00 174.62 175.86 1hjk h ILE 132 N 0.17 0.87 0.03 2.99 6.09 0.08 -0.33 117.51 127.41 1hjk h ILE 132 Ca -0.48 -0.04 -0.00 0.00 -1.37 0.00 0.00 64.86 62.97 1hjk h ILE 132 Cb 1.26 0.73 0.00 0.00 0.47 0.00 0.00 36.82 39.28 1hjk h ILE 132 CO 0.54 0.02 -0.02 0.25 -3.07 0.00 0.00 178.15 175.87 1hjk h LEU 133 N 0.13 -0.04 -1.70 2.19 6.46 -1.83 -1.11 115.31 119.41 1hjk h LEU 133 Ca 0.18 -0.22 -0.02 0.00 -0.12 0.00 0.00 57.88 57.70 1hjk h LEU 133 Cb 0.55 0.01 -0.01 0.00 -0.73 0.00 0.00 40.66 40.48 1hjk h LEU 133 CO -0.02 0.20 0.02 -0.33 -0.62 0.00 0.00 178.44 177.70 1hjk h GLU 134 N -0.28 0.21 0.06 1.25 5.08 -1.30 -0.66 114.58 118.95 1hjk h GLU 134 Ca -0.00 -0.02 -0.24 0.00 -1.00 0.00 0.00 59.36 58.10 1hjk h GLU 134 Cb 0.26 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.45 1hjk h GLU 134 CO 0.01 0.21 -1.09 0.52 -1.00 0.00 0.00 179.01 177.66 1hjk h MET 135 N 0.21 0.14 -0.22 2.33 2.86 -1.22 -1.14 114.93 117.89 1hjk h MET 135 Ca 0.05 -0.22 -0.05 0.00 -2.06 0.00 0.00 59.70 57.42 1hjk h MET 135 Cb 0.11 0.08 -0.01 0.00 0.06 0.00 0.00 31.60 31.84 1hjk h MET 135 CO -0.00 1.09 -0.04 0.00 1.06 0.00 0.00 176.91 179.02 1hjk h ALA 136 N 0.82 0.30 0.06 6.32 0.00 -0.56 -0.87 119.26 125.32 1hjk h ALA 136 Ca -0.07 -0.25 -0.00 0.00 0.00 0.00 0.00 54.91 54.60 1hjk h ALA 136 Cb 1.83 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 19.53 1hjk h ALA 136 CO 0.16 0.08 -0.04 -0.22 0.00 0.00 0.00 179.25 179.23 1hjk h LYS 137 N 0.16 -0.10 -0.97 0.00 3.64 -1.13 -0.18 116.57 117.99 1hjk h LYS 137 Ca 0.06 0.01 0.17 0.00 -1.27 0.00 0.00 60.65 59.61 1hjk h LYS 137 Cb 0.48 0.02 -0.10 0.00 -0.41 0.00 0.00 32.23 32.22 1hjk h LYS 137 CO 0.02 -0.06 0.58 0.00 -2.27 0.00 0.00 179.45 177.72 1hjk h ALA 138 N 0.84 1.56 0.00 5.00 0.00 -1.06 0.24 119.26 125.84 1hjk h ALA 138 Ca -0.00 0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.98 1hjk h ALA 138 Cb 0.09 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.78 1hjk h ALA 138 CO -0.00 0.01 0.00 0.00 0.00 0.00 0.00 179.25 179.26 1hjk h ALA 139 N 1.60 1.00 0.00 0.00 0.00 -0.50 -3.47 119.26 117.89 1hjk h ALA 139 Ca 0.54 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.45 1hjk h ALA 139 Cb 0.76 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.55 1hjk h ALA 139 CO -0.35 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.31 1hjk n GLY 140 N 0.78 1.03 3.89 0.00 0.00 0.85 -5.07 105.19 106.67 1hjk n GLY 140 Ca 0.03 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.77 1hjk n GLY 140 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1hjk s LEU 141 N 0.00 3.82 0.77 0.99 1.02 -0.55 -4.85 118.68 119.87 1hjk s LEU 141 Ca 0.00 0.95 -0.11 0.00 0.02 0.00 0.00 54.13 54.99 1hjk s LEU 141 Cb 0.00 -3.84 0.05 0.00 0.02 0.00 0.00 46.19 42.42 1hjk s LEU 141 CO 0.00 -0.41 1.08 0.00 0.02 0.00 0.00 176.35 177.04 1hjk s ALA 142 N -2.43 2.31 -0.11 4.21 0.00 -0.42 -4.20 121.76 121.12 1hjk s ALA 142 Ca 0.48 0.09 -0.10 0.00 0.00 0.00 0.00 51.96 52.43 1hjk s ALA 142 Cb -0.10 -3.20 0.03 0.00 0.00 0.00 0.00 23.12 19.84 1hjk s ALA 142 CO 0.36 -1.65 0.30 0.95 0.00 0.00 0.00 175.76 175.71 1hjk s THR 143 N -2.99 -0.00 0.01 0.00 -4.23 -1.26 -0.14 115.64 107.03 1hjk s THR 143 Ca 0.60 0.01 0.02 0.00 -1.18 0.00 0.00 61.69 61.14 1hjk s THR 143 Cb -0.16 -0.42 -0.01 0.00 1.34 0.00 0.00 72.50 73.25 1hjk s THR 143 CO 0.56 0.00 -0.05 -0.83 -0.54 0.00 0.00 174.62 173.75 1hjk s GLY 144 N 0.24 0.31 -0.31 3.99 0.00 0.78 -1.61 107.32 110.72 1hjk s GLY 144 Ca -0.01 -0.41 -0.01 0.00 0.00 0.00 0.00 44.72 44.29 1hjk s GLY 144 CO -0.00 -0.42 0.10 0.21 0.00 0.00 0.00 173.10 172.99 1hjk s ASN 145 N -0.70 3.97 -0.13 1.64 3.84 -0.40 -1.46 114.94 121.70 1hjk s ASN 145 Ca -0.04 -1.59 0.02 0.00 0.21 0.00 0.00 52.86 51.46 1hjk s ASN 145 Cb -0.05 -0.82 -0.00 0.00 -0.55 0.00 0.00 41.25 39.83 1hjk s ASN 145 CO -0.00 -0.42 -0.19 -0.69 -2.79 0.00 0.00 177.10 173.02 1hjk s VAL 146 N 1.66 2.45 0.24 -5.21 1.01 0.07 -1.38 120.40 119.24 1hjk s VAL 146 Ca 0.09 -0.86 -0.08 0.00 0.00 0.00 0.00 61.98 61.13 1hjk s VAL 146 Cb -0.17 -1.99 -0.02 0.00 0.00 0.00 0.00 36.38 34.20 1hjk s VAL 146 CO -0.26 0.54 0.36 -0.55 0.00 0.00 0.00 175.10 175.19 1hjk s SER 147 N 0.53 0.09 -0.07 3.32 0.15 -0.39 0.57 113.70 117.91 1hjk s SER 147 Ca -0.12 -1.14 0.12 0.00 0.70 0.00 0.00 55.95 55.52 1hjk s SER 147 Cb -0.16 0.52 0.36 0.00 -1.71 0.00 0.00 66.02 65.03 1hjk s SER 147 CO 0.04 -1.05 1.29 0.35 1.20 0.00 0.00 173.24 175.07 1hjk n THR 148 N -0.36 1.49 -3.48 6.45 -2.24 -1.11 -4.21 114.28 110.83 1hjk n THR 148 Ca -0.00 -1.36 -0.03 0.00 -2.27 0.00 0.00 64.05 60.39 1hjk n THR 148 Cb 0.63 0.20 0.00 0.00 -2.10 0.00 0.00 70.33 69.07 1hjk n THR 148 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1hjk n ALA 149 N 0.01 0.10 -1.79 6.98 0.00 -1.26 -1.91 120.51 122.63 1hjk n ALA 149 Ca 0.14 -0.24 -0.40 0.00 0.00 0.00 0.00 53.44 52.94 1hjk n ALA 149 Cb 0.59 0.10 -0.06 0.00 0.00 0.00 0.00 19.45 20.08 1hjk n ALA 149 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1hjk s GLU 150 N -2.25 4.81 0.48 0.00 2.02 -1.26 -1.27 118.70 121.23 1hjk s GLU 150 Ca 0.04 1.54 0.33 0.00 0.02 0.00 0.00 54.97 56.89 1hjk s GLU 150 Cb -0.00 -3.27 1.71 0.00 0.10 0.00 0.00 34.13 32.67 1hjk s GLU 150 CO 0.02 0.44 2.00 -0.07 0.02 0.00 0.00 175.26 177.67 1hjk h LEU 151 N 4.22 0.00 -0.92 1.80 3.38 -1.77 0.20 115.31 122.23 1hjk h LEU 151 Ca -0.45 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.52 1hjk h LEU 151 Cb 1.20 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.95 1hjk h LEU 151 CO 0.68 0.00 0.00 0.00 0.09 0.00 0.00 178.44 179.21 1hjk n GLN 152 N -2.67 1.61 -1.42 1.13 3.00 -1.26 -3.36 117.38 114.40 1hjk n GLN 152 Ca -0.02 -0.91 -0.30 0.00 -0.01 0.00 0.00 57.00 55.76 1hjk n GLN 152 Cb 0.09 -1.43 0.10 0.00 0.00 0.00 0.00 30.24 28.99 1hjk n GLN 152 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.06 177.40 1hjk s ASP 153 N -1.77 4.40 0.15 1.08 2.15 0.70 -4.78 116.67 118.61 1hjk s ASP 153 Ca 0.35 1.49 -0.20 0.00 0.43 0.00 0.00 52.55 54.62 1hjk s ASP 153 Cb 0.19 -2.23 0.05 0.00 -0.30 0.00 0.00 42.92 40.63 1hjk s ASP 153 CO 0.29 -2.05 1.66 0.00 -0.17 0.00 0.00 175.17 174.90 1hjk h ALA 154 N -1.14 0.06 -0.01 3.66 0.00 -1.88 -0.76 119.26 119.19 1hjk h ALA 154 Ca -0.46 0.11 0.03 0.00 0.00 0.00 0.00 54.91 54.58 1hjk h ALA 154 Cb 1.26 0.37 -0.04 0.00 0.00 0.00 0.00 17.79 19.38 1hjk h ALA 154 CO 0.56 -0.55 -0.18 1.15 0.00 0.00 0.00 179.25 180.23 1hjk h THR 155 N -0.12 0.57 0.20 0.00 2.02 -1.93 0.29 112.91 113.94 1hjk h THR 155 Ca 0.15 0.00 -0.29 0.00 0.77 0.00 0.00 66.41 67.05 1hjk h THR 155 Cb 0.35 0.57 0.03 0.00 -1.74 0.00 0.00 68.15 67.36 1hjk h THR 155 CO -0.37 0.00 -1.25 1.55 0.37 0.00 0.00 175.52 175.82 1hjk h PRO 156 N -0.29 0.49 -0.98 6.66 0.13 -1.83 -3.34 132.00 132.83 1hjk h PRO 156 Ca 0.06 -0.80 0.09 0.00 -0.87 0.00 0.00 66.00 64.49 1hjk h PRO 156 Cb 0.36 0.29 -0.08 0.00 0.13 0.00 0.00 31.00 31.71 1hjk h PRO 156 CO -0.18 1.38 0.62 0.00 -0.23 0.00 0.00 178.00 179.59 1hjk h ALA 157 N 0.15 1.42 0.00 -0.56 0.00 -0.96 -1.76 119.26 117.56 1hjk h ALA 157 Ca -0.21 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.70 1hjk h ALA 157 Cb 1.98 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 19.52 1hjk h ALA 157 CO 0.24 0.31 0.27 0.00 0.00 0.00 0.00 179.25 180.06 1hjk h ALA 158 N 1.49 1.24 0.00 0.00 0.00 -0.54 -0.12 119.26 121.32 1hjk h ALA 158 Ca 0.46 0.00 -0.12 0.00 0.00 0.00 0.00 54.91 55.25 1hjk h ALA 158 Cb 0.33 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.10 1hjk h ALA 158 CO -0.22 -0.24 -0.58 -0.07 0.00 0.00 0.00 179.25 178.14 1hjk h LEU 159 N 0.00 0.00 0.00 0.00 3.38 -1.52 -3.38 115.31 113.79 1hjk h LEU 159 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1hjk h LEU 159 Cb 0.54 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.29 1hjk h LEU 159 CO 0.00 0.58 -0.50 1.33 0.09 0.00 0.00 178.44 179.93 1hjk n VAL 160 N -3.44 0.00 -4.17 1.22 0.24 -0.25 -4.43 118.33 107.50 1hjk n VAL 160 Ca 0.00 -0.12 -0.26 0.00 -2.04 0.00 0.00 64.34 61.93 1hjk n VAL 160 Cb 0.68 0.57 -0.07 0.00 -1.47 0.00 0.00 33.84 33.56 1hjk n VAL 160 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1hjk s ALA 161 N -1.24 3.34 -0.29 2.33 0.00 -0.22 -4.58 121.76 121.09 1hjk s ALA 161 Ca 0.00 -1.35 -0.03 0.00 0.00 0.00 0.00 51.96 50.58 1hjk s ALA 161 Cb 0.00 -1.11 0.10 0.00 0.00 0.00 0.00 23.12 22.11 1hjk s ALA 161 CO 0.00 0.45 0.12 -1.01 0.00 0.00 0.00 175.76 175.33 1hjk s HIS 162 N -1.81 0.58 0.03 0.00 3.76 -1.23 -3.99 115.29 112.63 1hjk s HIS 162 Ca 0.29 -1.03 -0.03 0.00 -0.15 0.00 0.00 55.06 54.14 1hjk s HIS 162 Cb -0.09 -1.05 -0.02 0.00 1.11 0.00 0.00 32.58 32.53 1hjk s HIS 162 CO 0.21 -0.83 0.03 0.14 -0.85 0.00 0.00 174.74 173.43 1hjk s VAL 163 N 2.01 0.13 -1.99 -0.90 -7.23 -0.47 -4.92 120.40 107.02 1hjk s VAL 163 Ca 0.09 -1.05 0.29 0.00 -1.81 0.00 0.00 61.98 59.50 1hjk s VAL 163 Cb -0.16 -0.62 0.83 0.00 0.56 0.00 0.00 36.38 36.99 1hjk s VAL 163 CO -0.34 -0.58 2.09 0.35 -0.31 0.00 0.00 175.10 176.31 1hjk n THR 164 N 1.16 0.00 -3.64 5.32 -2.24 -1.26 -2.65 114.28 110.96 1hjk n THR 164 Ca -0.21 0.00 -0.08 0.00 -2.27 0.00 0.00 64.05 61.49 1hjk n THR 164 Cb 0.57 -0.54 -0.07 0.00 -2.10 0.00 0.00 70.33 68.19 1hjk n THR 164 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1hjk s SER 165 N -2.01 -0.91 0.65 3.42 0.15 -1.26 -4.61 113.70 109.14 1hjk s SER 165 Ca 0.44 1.47 0.40 0.00 0.70 0.00 0.00 55.95 58.96 1hjk s SER 165 Cb 0.20 1.35 2.21 0.00 -1.71 0.00 0.00 66.02 68.08 1hjk s SER 165 CO 0.34 -0.24 2.30 0.08 1.20 0.00 0.00 173.24 176.92 1hjk h ARG 166 N 6.87 0.00 0.00 5.44 0.11 -1.04 -1.71 114.38 124.05 1hjk h ARG 166 Ca -0.30 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.78 1hjk h ARG 166 Cb 1.22 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.30 1hjk h ARG 166 CO 0.16 0.00 0.00 0.87 0.10 0.00 0.00 179.97 181.10 1hjk h LYS 167 N 0.00 0.00 -3.06 0.08 1.57 -1.94 -3.39 116.57 109.82 1hjk h LYS 167 Ca 0.01 0.00 -0.53 0.00 -1.87 0.00 0.00 60.65 58.25 1hjk h LYS 167 Cb 0.09 0.00 0.02 0.00 0.08 0.00 0.00 32.23 32.42 1hjk h LYS 167 CO -0.00 0.00 3.10 0.00 -0.57 0.00 0.00 179.45 181.98 1hjk h TYR 169 N 5.28 -0.34 -4.58 0.00 -1.99 -1.87 0.67 116.97 114.15 1hjk h TYR 169 Ca 0.69 0.03 -0.39 0.00 2.00 0.00 0.00 58.73 61.06 1hjk h TYR 169 Cb 0.33 0.20 -0.11 0.00 2.00 0.00 0.00 36.73 39.15 1hjk h TYR 169 CO 1.89 -0.21 -0.36 0.20 -0.00 0.00 0.00 178.16 179.68 1hjk s GLY 170 N -2.87 2.01 0.07 3.88 0.00 -1.26 -1.19 107.32 107.95 1hjk s GLY 170 Ca -0.14 -1.86 -0.06 0.00 0.00 0.00 0.00 44.72 42.66 1hjk s GLY 170 CO 0.69 -1.28 0.48 -1.05 0.00 0.00 0.00 173.10 171.95 1hjk n PRO 171 N -0.61 -0.08 0.09 2.90 -0.02 -1.26 -1.67 135.00 134.35 1hjk n PRO 171 Ca 0.05 0.48 -0.22 0.00 -2.02 0.00 0.00 63.50 61.78 1hjk n PRO 171 Cb 0.62 -0.71 -0.15 0.00 -0.02 0.00 0.00 33.50 33.24 1hjk n PRO 171 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 1hjk h SER 172 N 0.00 0.64 -0.97 2.55 4.64 -1.98 -2.78 113.55 115.65 1hjk h SER 172 Ca 0.10 -0.85 0.00 0.00 -0.47 0.00 0.00 61.79 60.58 1hjk h SER 172 Cb 0.18 -0.21 -0.05 0.00 -0.31 0.00 0.00 62.40 62.01 1hjk h SER 172 CO -0.31 1.70 0.62 0.00 -0.87 0.00 0.00 176.83 177.97 1hjk h ALA 173 N 0.21 1.27 -0.19 5.18 0.00 -1.64 -2.75 119.26 121.33 1hjk h ALA 173 Ca -0.30 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.52 1hjk h ALA 173 Cb 2.10 -0.39 -0.01 0.00 0.00 0.00 0.00 17.79 19.49 1hjk h ALA 173 CO 0.21 0.66 0.09 1.15 0.00 0.00 0.00 179.25 181.35 1hjk h THR 174 N 1.33 1.15 -0.96 0.00 2.02 -1.47 0.35 112.91 115.33 1hjk h THR 174 Ca 0.35 -0.43 0.08 0.00 0.77 0.00 0.00 66.41 67.18 1hjk h THR 174 Cb -0.12 1.08 -0.07 0.00 -1.74 0.00 0.00 68.15 67.30 1hjk h THR 174 CO -0.07 0.14 0.60 0.28 0.37 0.00 0.00 175.52 176.84 1hjk h SER 175 N 0.17 0.93 0.63 4.18 0.02 -1.32 0.80 113.55 118.97 1hjk h SER 175 Ca 0.07 0.03 0.00 0.00 -0.84 0.00 0.00 61.79 61.04 1hjk h SER 175 Cb 0.15 -0.17 0.00 0.00 0.14 0.00 0.00 62.40 62.52 1hjk h SER 175 CO -0.01 0.56 -0.87 -1.84 -1.14 0.00 0.00 176.83 173.54 1hjk n GLU 176 N -4.58 0.31 -0.00 3.45 0.28 -1.01 -3.80 120.64 115.28 1hjk n GLU 176 Ca 0.16 0.04 0.01 0.00 -0.16 0.00 0.00 57.16 57.20 1hjk n GLU 176 Cb 0.24 -1.64 -0.02 0.00 1.43 0.00 0.00 31.44 31.44 1hjk n GLU 176 CO 0.00 0.00 0.00 1.63 -0.16 0.00 0.00 177.13 178.60 1hjk n LYS 177 N -2.06 1.17 -3.23 3.44 5.02 0.12 -4.74 118.16 117.88 1hjk n LYS 177 Ca 0.02 -0.02 -0.24 0.00 -2.02 0.00 0.00 58.31 56.05 1hjk n LYS 177 Cb 0.44 -1.07 -0.06 0.00 -0.02 0.00 0.00 35.03 34.32 1hjk n LYS 177 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1hjk h PRO 179 N 3.80 0.25 0.00 0.00 0.11 -1.62 0.40 132.00 134.94 1hjk h PRO 179 Ca 0.11 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.21 1hjk h PRO 179 Cb 0.80 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 31.86 1hjk h PRO 179 CO 0.60 0.16 0.00 0.41 -0.21 0.00 0.00 178.00 178.96 1hjk n GLY 180 N -1.23 -0.16 0.00 -0.55 0.00 -1.26 -1.43 105.19 100.56 1hjk n GLY 180 Ca 0.02 -0.03 0.00 0.00 0.00 0.00 0.00 46.02 46.01 1hjk n GLY 180 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1hjk n ASN 181 N -0.94 4.68 -4.67 1.61 5.03 0.03 -4.54 115.26 116.46 1hjk n ASN 181 Ca 0.03 -0.03 -0.44 0.00 0.87 0.00 0.00 54.58 55.01 1hjk n ASN 181 Cb 0.02 1.01 -0.02 0.00 -1.02 0.00 0.00 39.78 39.76 1hjk n ASN 181 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1hjk n ALA 182 N -1.48 0.99 -0.22 5.41 0.00 -0.51 0.87 120.51 125.58 1hjk n ALA 182 Ca -0.00 0.40 -0.06 0.00 0.00 0.00 0.00 53.44 53.78 1hjk n ALA 182 Cb 0.00 -2.25 0.04 0.00 0.00 0.00 0.00 19.45 17.25 1hjk n ALA 182 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1hjk h LEU 183 N 3.74 0.74 -1.54 0.00 5.85 -1.88 0.36 115.31 122.58 1hjk h LEU 183 Ca -0.45 -0.05 -0.02 0.00 0.84 0.00 0.00 57.88 58.20 1hjk h LEU 183 Cb 1.28 -0.19 -0.00 0.00 0.37 0.00 0.00 40.66 42.12 1hjk h LEU 183 CO 0.72 0.58 -0.10 1.05 -0.34 0.00 0.00 178.44 180.35 1hjk h GLU 184 N 0.84 0.00 -0.52 1.25 9.09 -1.90 0.09 114.58 123.43 1hjk h GLU 184 Ca 0.22 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.63 1hjk h GLU 184 Cb -0.03 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.07 1hjk h GLU 184 CO -0.04 0.10 0.00 1.63 0.05 0.00 0.00 179.01 180.74 1hjk n LYS 185 N -3.29 2.32 -1.03 1.06 4.76 -0.56 -4.91 118.16 116.52 1hjk n LYS 185 Ca -0.00 -1.76 0.00 0.00 -2.87 0.00 0.00 58.31 53.68 1hjk n LYS 185 Cb 0.32 -1.47 0.00 0.00 -1.84 0.00 0.00 35.03 32.04 1hjk n LYS 185 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1hjk n GLY 186 N 1.12 0.41 3.98 0.72 0.00 0.02 -4.90 105.19 106.54 1hjk n GLY 186 Ca 0.16 -1.03 -0.25 0.00 0.00 0.00 0.00 46.02 44.89 1hjk n GLY 186 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1hjk s GLY 187 N -2.95 1.77 0.39 -0.02 0.00 0.12 -4.96 107.32 101.66 1hjk s GLY 187 Ca 0.00 -1.67 0.21 0.00 0.00 0.00 0.00 44.72 43.25 1hjk s GLY 187 CO 0.00 -1.02 1.72 0.50 0.00 0.00 0.00 173.10 174.31 1hjk h LYS 188 N -0.87 0.00 0.00 2.90 1.57 -1.79 -3.37 116.57 115.02 1hjk h LYS 188 Ca -0.38 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.40 1hjk h LYS 188 Cb 1.25 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.56 1hjk h LYS 188 CO 0.37 0.32 0.00 0.41 -0.57 0.00 0.00 179.45 179.98 1hjk n GLY 189 N 0.39 0.96 3.53 3.86 0.00 0.25 -4.65 105.19 109.54 1hjk n GLY 189 Ca 0.00 -2.28 -0.30 0.00 0.00 0.00 0.00 46.02 43.44 1hjk n GLY 189 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1hjk s SER 190 N 0.00 0.56 0.13 1.61 1.04 -1.26 -4.69 113.70 111.08 1hjk s SER 190 Ca 0.00 0.76 -0.14 0.00 0.48 0.00 0.00 55.95 57.05 1hjk s SER 190 Cb 0.00 -1.08 -0.01 0.00 0.10 0.00 0.00 66.02 65.03 1hjk s SER 190 CO 0.00 -4.36 1.58 0.40 0.98 0.00 0.00 173.24 171.84 1hjk h ILE 191 N -2.74 1.26 -0.36 -1.02 2.04 -0.83 -1.52 117.51 114.34 1hjk h ILE 191 Ca -0.46 -1.03 -0.07 0.00 1.00 0.00 0.00 64.86 64.29 1hjk h ILE 191 Cb 1.31 1.09 -0.01 0.00 -0.74 0.00 0.00 36.82 38.46 1hjk h ILE 191 CO 0.35 0.35 -0.06 0.74 0.00 0.00 0.00 178.15 179.53 1hjk h THR 192 N 0.59 1.27 -0.40 -0.27 2.02 -1.40 -1.62 112.91 113.11 1hjk h THR 192 Ca 0.12 -1.11 -0.04 0.00 0.77 0.00 0.00 66.41 66.15 1hjk h THR 192 Cb 0.49 1.26 -0.02 0.00 -1.74 0.00 0.00 68.15 68.14 1hjk h THR 192 CO 0.02 0.36 0.06 -0.33 0.37 0.00 0.00 175.52 176.01 1hjk h GLU 193 N 0.48 0.60 0.00 6.66 5.08 -1.81 -1.25 114.58 124.33 1hjk h GLU 193 Ca 0.09 -0.12 -0.11 0.00 -1.00 0.00 0.00 59.36 58.23 1hjk h GLU 193 Cb 0.56 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.69 1hjk h GLU 193 CO 0.03 0.58 -0.54 1.96 -1.00 0.00 0.00 179.01 180.05 1hjk h GLN 194 N 0.59 0.00 0.06 2.33 4.20 -0.97 -2.77 115.11 118.55 1hjk h GLN 194 Ca 0.13 0.00 -0.00 0.00 0.06 0.00 0.00 58.65 58.84 1hjk h GLN 194 Cb 0.28 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.06 1hjk h GLN 194 CO 0.00 0.54 -0.03 1.25 -0.67 0.00 0.00 178.83 179.92 1hjk h LEU 195 N 0.00 -0.07 -2.03 1.46 6.46 -0.39 -0.20 115.31 120.54 1hjk h LEU 195 Ca -0.01 -0.36 0.07 0.00 -0.12 0.00 0.00 57.88 57.47 1hjk h LEU 195 Cb 0.98 0.02 -0.01 0.00 -0.73 0.00 0.00 40.66 40.92 1hjk h LEU 195 CO 0.07 0.33 0.19 -0.07 -0.62 0.00 0.00 178.44 178.34 1hjk h LEU 196 N -0.49 0.00 0.07 2.25 3.38 -1.22 -2.31 115.31 116.98 1hjk h LEU 196 Ca -0.01 0.00 -0.29 0.00 0.09 0.00 0.00 57.88 57.67 1hjk h LEU 196 Cb 0.43 0.00 0.03 0.00 0.09 0.00 0.00 40.66 41.21 1hjk h LEU 196 CO 0.01 0.00 -1.17 0.78 0.09 0.00 0.00 178.44 178.16 1hjk h ASN 197 N 0.00 0.88 -0.79 -0.43 2.35 -1.03 -3.28 115.58 113.29 1hjk h ASN 197 Ca 0.12 -0.77 -0.01 0.00 -0.55 0.00 0.00 56.30 55.09 1hjk h ASN 197 Cb 0.49 -0.27 -0.04 0.00 0.05 0.00 0.00 38.32 38.55 1hjk h ASN 197 CO -0.00 1.57 0.46 0.00 -1.65 0.00 0.00 177.43 177.82 1hjk h ALA 198 N 0.35 1.32 -5.70 -0.83 0.00 -0.51 -3.48 119.26 110.42 1hjk h ALA 198 Ca -0.16 -0.10 -0.12 0.00 0.00 0.00 0.00 54.91 54.53 1hjk h ALA 198 Cb 1.83 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 19.30 1hjk h ALA 198 CO 0.22 0.57 -0.35 -2.13 0.00 0.00 0.00 179.25 177.56 1hjk n ARG 199 N -4.37 -1.55 -2.46 0.00 0.63 -1.08 -4.97 116.66 102.87 1hjk n ARG 199 Ca 0.08 1.43 -0.32 0.00 -0.92 0.00 0.00 57.85 58.12 1hjk n ARG 199 Cb 0.08 -4.86 -0.04 0.00 0.45 0.00 0.00 32.46 28.08 1hjk n ARG 199 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1hjk s ALA 200 N -2.87 3.04 0.19 5.13 0.00 -1.26 -4.96 121.76 121.02 1hjk s ALA 200 Ca 0.05 0.25 -0.11 0.00 0.00 0.00 0.00 51.96 52.15 1hjk s ALA 200 Cb -0.01 -3.14 0.12 0.00 0.00 0.00 0.00 23.12 20.09 1hjk s ALA 200 CO 0.79 -0.21 1.81 -0.44 0.00 0.00 0.00 175.76 177.71 1hjk h ASP 201 N 1.09 0.85 -3.27 0.00 3.32 -1.74 -3.42 116.42 113.25 1hjk h ASP 201 Ca -0.47 -0.09 -0.49 0.00 0.02 0.00 0.00 57.03 55.99 1hjk h ASP 201 Cb 1.19 -0.22 -0.36 0.00 0.22 0.00 0.00 39.33 40.16 1hjk h ASP 201 CO 0.61 0.70 -0.79 -0.69 -1.72 0.00 0.00 179.24 177.35 1hjk s VAL 202 N -5.85 0.83 -0.08 -1.35 1.01 -0.64 -0.72 120.40 113.60 1hjk s VAL 202 Ca -0.13 -0.20 -0.01 0.00 0.00 0.00 0.00 61.98 61.64 1hjk s VAL 202 Cb 0.14 -0.86 0.03 0.00 0.00 0.00 0.00 36.38 35.68 1hjk s VAL 202 CO 0.79 0.32 -0.03 -0.89 0.00 0.00 0.00 175.10 175.29 1hjk s THR 203 N 1.50 0.63 -0.05 3.92 2.01 -0.30 -1.28 115.64 122.08 1hjk s THR 203 Ca -0.00 -0.06 -0.01 0.00 0.31 0.00 0.00 61.69 61.93 1hjk s THR 203 Cb -0.13 -0.72 0.03 0.00 0.01 0.00 0.00 72.50 71.68 1hjk s THR 203 CO -0.05 0.30 0.02 -0.76 -0.69 0.00 0.00 174.62 173.44 1hjk s LEU 204 N 1.74 0.54 0.00 4.42 1.43 -0.48 -1.08 118.68 125.25 1hjk s LEU 204 Ca 0.03 -0.01 0.00 0.00 -1.03 0.00 0.00 54.13 53.11 1hjk s LEU 204 Cb -0.13 -0.29 0.00 0.00 0.03 0.00 0.00 46.19 45.80 1hjk s LEU 204 CO -0.05 -0.19 0.00 0.61 0.23 0.00 0.00 176.35 176.94 1hjk n GLY 205 N 5.00 1.79 0.00 -3.19 0.00 -0.17 -1.26 105.19 107.37 1hjk n GLY 205 Ca -0.09 -0.43 0.00 0.00 0.00 0.00 0.00 46.02 45.49 1hjk n GLY 205 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1hjk n GLY 206 N 0.00 4.11 1.15 -0.02 0.00 -0.40 0.04 105.19 110.08 1hjk n GLY 206 Ca 0.00 -1.94 0.00 0.00 0.00 0.00 0.00 46.02 44.08 1hjk n GLY 206 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1hjk n GLY 207 N 5.00 0.95 0.08 -0.02 0.00 0.15 -2.48 105.19 108.88 1hjk n GLY 207 Ca 0.00 -0.55 0.12 0.00 0.00 0.00 0.00 46.02 45.60 1hjk n GLY 207 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1hjk n ALA 208 N -0.81 2.00 -0.05 4.61 0.00 -0.53 -3.51 120.51 122.22 1hjk n ALA 208 Ca 0.00 -0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.32 1hjk n ALA 208 Cb 0.21 -1.41 -0.06 0.00 0.00 0.00 0.00 19.45 18.19 1hjk n ALA 208 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 1hjk h LYS 209 N 0.00 0.26 -0.59 0.00 3.64 -1.77 -3.18 116.57 114.94 1hjk h LYS 209 Ca 0.00 -0.07 0.03 0.00 -1.27 0.00 0.00 60.65 59.34 1hjk h LYS 209 Cb 0.51 -0.03 -0.03 0.00 -0.41 0.00 0.00 32.23 32.27 1hjk h LYS 209 CO 0.00 0.45 0.39 1.15 -2.27 0.00 0.00 179.45 179.17 1hjk h THR 210 N 0.04 1.09 0.00 1.00 2.02 -1.84 -1.71 112.91 113.50 1hjk h THR 210 Ca 0.05 -0.24 0.00 0.00 0.77 0.00 0.00 66.41 66.98 1hjk h THR 210 Cb 0.32 0.32 0.00 0.00 -1.74 0.00 0.00 68.15 67.04 1hjk h THR 210 CO 0.00 0.13 0.00 0.49 0.37 0.00 0.00 175.52 176.51 1hjk n PHE 211 N -4.46 0.00 0.38 3.16 3.01 -1.20 -1.54 117.46 116.80 1hjk n PHE 211 Ca 0.07 0.00 0.07 0.00 1.01 0.00 0.00 57.45 58.60 1hjk n PHE 211 Cb 0.12 -0.36 0.22 0.00 -0.01 0.00 0.00 39.48 39.45 1hjk n PHE 211 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1hjk n ALA 212 N -1.36 2.57 -2.62 4.37 0.00 -0.64 0.68 120.51 123.50 1hjk n ALA 212 Ca 0.01 -0.89 -0.22 0.00 0.00 0.00 0.00 53.44 52.33 1hjk n ALA 212 Cb 0.02 -0.98 -0.01 0.00 0.00 0.00 0.00 19.45 18.48 1hjk n ALA 212 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1hjk s GLU 213 N -1.48 3.34 0.19 0.00 2.02 -0.59 -4.84 118.70 117.34 1hjk s GLU 213 Ca 0.32 -0.54 0.07 0.00 0.02 0.00 0.00 54.97 54.84 1hjk s GLU 213 Cb 0.18 -2.71 -0.04 0.00 0.10 0.00 0.00 34.13 31.67 1hjk s GLU 213 CO 0.20 0.10 0.03 0.95 0.02 0.00 0.00 175.26 176.57 1hjk s THR 214 N -2.28 3.87 0.59 3.63 -4.23 -1.26 -0.77 115.64 115.18 1hjk s THR 214 Ca 0.41 -1.42 -0.18 0.00 -1.18 0.00 0.00 61.69 59.32 1hjk s THR 214 Cb -0.10 -2.97 -0.04 0.00 1.34 0.00 0.00 72.50 70.74 1hjk s THR 214 CO 0.34 -0.15 1.16 0.00 -0.54 0.00 0.00 174.62 175.43 1hjk s ALA 215 N -1.82 2.57 -0.05 3.99 0.00 -1.06 -4.76 121.76 120.63 1hjk s ALA 215 Ca 0.29 0.87 0.20 0.00 0.00 0.00 0.00 51.96 53.31 1hjk s ALA 215 Cb -0.09 -3.40 -0.30 0.00 0.00 0.00 0.00 23.12 19.33 1hjk s ALA 215 CO 0.20 -1.05 0.44 0.25 0.00 0.00 0.00 175.76 175.59 1hjk n THR 216 N -1.63 0.00 -3.61 0.00 -2.24 -1.26 -1.51 114.28 104.02 1hjk n THR 216 Ca 0.12 -0.43 -0.00 0.00 -2.27 0.00 0.00 64.05 61.47 1hjk n THR 216 Cb 0.50 0.08 -0.00 0.00 -2.10 0.00 0.00 70.33 68.82 1hjk n THR 216 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1hjk n ALA 217 N -2.15 -0.01 -0.28 6.98 0.00 -1.26 -4.80 120.51 118.99 1hjk n ALA 217 Ca -0.03 -0.04 0.04 0.00 0.00 0.00 0.00 53.44 53.41 1hjk n ALA 217 Cb 0.50 0.03 -0.01 0.00 0.00 0.00 0.00 19.45 19.97 1hjk n ALA 217 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1hjk n GLY 218 N -0.01 -1.63 0.28 0.00 0.00 -1.26 -3.47 105.19 99.10 1hjk n GLY 218 Ca 0.00 -1.45 0.03 0.00 0.00 0.00 0.00 46.02 44.60 1hjk n GLY 218 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1hjk h GLU 219 N -0.26 0.62 -0.57 1.61 4.81 -2.02 -2.28 114.58 116.48 1hjk h GLU 219 Ca -0.00 -0.04 -0.11 0.00 -0.13 0.00 0.00 59.36 59.08 1hjk h GLU 219 Cb 0.26 -0.14 -0.07 0.00 0.63 0.00 0.00 28.75 29.43 1hjk h GLU 219 CO 0.00 0.41 0.12 0.91 -0.73 0.00 0.00 179.01 179.72 1hjk n TRP 220 N -4.85 1.95 -0.84 0.92 8.01 -1.26 -5.01 117.44 116.37 1hjk n TRP 220 Ca 0.13 -1.04 -0.32 0.00 -1.31 0.00 0.00 57.50 54.95 1hjk n TRP 220 Cb 0.31 -0.55 0.14 0.00 -2.01 0.00 0.00 31.31 29.20 1hjk n TRP 220 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.69 176.68 1hjk n GLN 221 N -0.10 -0.22 0.00 -0.99 10.64 -0.86 -2.01 117.38 123.83 1hjk n GLN 221 Ca 0.33 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.50 1hjk n GLN 221 Cb 1.21 -2.25 0.00 0.00 -0.86 0.00 0.00 30.24 28.35 1hjk n GLN 221 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 1hjk n GLY 222 N 0.69 2.47 3.53 2.61 0.00 -0.57 -4.87 105.19 109.06 1hjk n GLY 222 Ca 0.11 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.85 1hjk n GLY 222 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1hjk s LYS 223 N 0.00 1.94 1.10 1.61 -2.85 -0.85 -4.86 119.74 115.82 1hjk s LYS 223 Ca 0.00 -1.25 -0.12 0.00 -1.00 0.00 0.00 55.97 53.60 1hjk s LYS 223 Cb 0.00 -2.13 0.25 0.00 -2.06 0.00 0.00 37.83 33.89 1hjk s LYS 223 CO 0.00 0.45 1.06 0.95 0.10 0.00 0.00 175.35 177.91 1hjk s THR 224 N -1.51 2.08 0.19 3.79 -4.23 -1.26 -2.55 115.64 112.14 1hjk s THR 224 Ca 0.22 0.03 0.09 0.00 -1.18 0.00 0.00 61.69 60.85 1hjk s THR 224 Cb -0.09 -2.14 -0.11 0.00 1.34 0.00 0.00 72.50 71.50 1hjk s THR 224 CO 0.13 -0.03 1.45 -0.07 -0.54 0.00 0.00 174.62 175.56 1hjk h LEU 225 N -2.38 0.00 -0.35 4.79 3.38 -0.80 -1.65 115.31 118.30 1hjk h LEU 225 Ca -0.57 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.39 1hjk h LEU 225 Cb 1.32 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 42.05 1hjk h LEU 225 CO 0.50 0.80 0.18 -0.09 0.09 0.00 0.00 178.44 179.91 1hjk h ARG 226 N 0.00 0.49 0.33 1.13 2.43 -0.02 -1.10 114.38 117.64 1hjk h ARG 226 Ca -0.01 -0.06 -0.02 0.00 -0.81 0.00 0.00 59.98 59.08 1hjk h ARG 226 Cb 1.43 -0.09 0.00 0.00 -0.42 0.00 0.00 29.97 30.89 1hjk h ARG 226 CO 0.10 0.42 -0.16 0.93 -1.51 0.00 0.00 179.97 179.76 1hjk h GLU 227 N 0.43 -0.43 -0.71 0.20 5.08 -1.79 -2.41 114.58 114.96 1hjk h GLU 227 Ca 0.12 0.03 0.16 0.00 -1.00 0.00 0.00 59.36 58.67 1hjk h GLU 227 Cb 0.08 0.10 -0.12 0.00 0.50 0.00 0.00 28.75 29.31 1hjk h GLU 227 CO -0.02 -0.27 0.06 0.37 -1.00 0.00 0.00 179.01 178.15 1hjk h GLN 228 N -0.47 0.15 -0.17 2.33 4.15 -1.21 -0.18 115.11 119.70 1hjk h GLN 228 Ca -0.05 -0.01 0.02 0.00 0.77 0.00 0.00 58.65 59.39 1hjk h GLN 228 Cb 0.36 -0.03 -0.04 0.00 0.21 0.00 0.00 27.48 27.97 1hjk h GLN 228 CO 0.07 0.10 -0.31 0.00 -1.93 0.00 0.00 178.83 176.76 1hjk h ALA 229 N 1.64 -0.62 -0.52 3.38 0.00 -0.69 1.07 119.26 123.52 1hjk h ALA 229 Ca 0.39 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 55.23 1hjk h ALA 229 Cb 0.68 0.90 -0.02 0.00 0.00 0.00 0.00 17.79 19.34 1hjk h ALA 229 CO -0.58 -0.75 0.07 -0.56 0.00 0.00 0.00 179.25 177.42 1hjk h GLN 230 N -0.26 0.84 0.00 0.00 3.07 -1.35 -0.92 115.11 116.48 1hjk h GLN 230 Ca 0.03 -0.20 -0.03 0.00 0.09 0.00 0.00 58.65 58.54 1hjk h GLN 230 Cb 0.35 -0.11 -0.00 0.00 0.08 0.00 0.00 27.48 27.80 1hjk h GLN 230 CO -0.30 0.79 -0.15 0.00 0.09 0.00 0.00 178.83 179.26 1hjk h ALA 231 N 1.28 1.72 -0.24 0.06 0.00 -0.21 0.20 119.26 122.07 1hjk h ALA 231 Ca 0.16 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1hjk h ALA 231 Cb 0.38 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.14 1hjk h ALA 231 CO 0.01 0.19 0.00 0.54 0.00 0.00 0.00 179.25 179.99 1hjk n ARG 232 N -4.32 1.56 -0.45 0.00 1.74 0.36 -4.87 116.66 110.68 1hjk n ARG 232 Ca -0.03 -0.86 0.00 0.00 -0.77 0.00 0.00 57.85 56.19 1hjk n ARG 232 Cb 0.22 -1.19 0.00 0.00 -1.02 0.00 0.00 32.46 30.47 1hjk n ARG 232 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1hjk n GLY 233 N 0.88 0.76 3.75 -0.13 0.00 0.71 -5.04 105.19 106.12 1hjk n GLY 233 Ca 0.08 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.69 1hjk n GLY 233 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1hjk s TYR 234 N -2.32 3.57 -0.26 1.61 2.02 -0.45 -4.19 117.35 117.32 1hjk s TYR 234 Ca 0.00 1.61 -0.13 0.00 -0.37 0.00 0.00 57.07 58.18 1hjk s TYR 234 Cb 0.00 -3.30 -0.04 0.00 -0.40 0.00 0.00 41.96 38.22 1hjk s TYR 234 CO 0.00 -0.66 0.29 1.14 -1.57 0.00 0.00 175.55 174.75 1hjk s GLN 235 N -0.75 4.02 -0.02 -0.62 -2.07 -0.06 -4.10 119.66 116.05 1hjk s GLN 235 Ca 0.48 -0.10 -0.08 0.00 -1.82 0.00 0.00 55.36 53.84 1hjk s GLN 235 Cb -0.31 -3.63 -0.05 0.00 -1.09 0.00 0.00 33.01 27.93 1hjk s GLN 235 CO 0.37 -0.18 0.27 -0.51 -1.32 0.00 0.00 175.29 173.92 1hjk s LEU 236 N 1.78 4.40 -0.06 2.60 1.43 -1.26 -1.20 118.68 126.36 1hjk s LEU 236 Ca 0.12 0.63 -0.01 0.00 -1.03 0.00 0.00 54.13 53.84 1hjk s LEU 236 Cb -0.15 -2.51 0.03 0.00 0.03 0.00 0.00 46.19 43.58 1hjk s LEU 236 CO 0.09 0.31 -0.01 -0.69 0.23 0.00 0.00 176.35 176.28 1hjk s VAL 237 N -1.19 0.39 -0.50 -1.59 1.01 -0.33 -4.98 120.40 113.21 1hjk s VAL 237 Ca 0.24 0.06 0.19 0.00 0.00 0.00 0.00 61.98 62.47 1hjk s VAL 237 Cb -0.14 -0.51 -0.24 0.00 0.00 0.00 0.00 36.38 35.49 1hjk s VAL 237 CO 0.12 0.24 0.63 -1.54 0.00 0.00 0.00 175.10 174.55 1hjk n SER 238 N 4.76 0.76 -4.06 3.32 3.41 -1.26 -2.18 113.62 118.37 1hjk n SER 238 Ca -0.14 -0.53 -0.14 0.00 -0.26 0.00 0.00 58.87 57.81 1hjk n SER 238 Cb 0.50 1.39 -0.10 0.00 -0.26 0.00 0.00 64.21 65.74 1hjk n SER 238 CO 0.00 0.00 0.00 1.51 -0.16 0.00 0.00 175.04 176.39 1hjk s ASP 239 N -3.40 0.58 0.27 4.04 1.47 -1.26 -4.43 116.67 113.94 1hjk s ASP 239 Ca 0.01 -1.46 0.01 0.00 1.18 0.00 0.00 52.55 52.28 1hjk s ASP 239 Cb 0.13 0.39 0.38 0.00 -0.34 0.00 0.00 42.92 43.48 1hjk s ASP 239 CO 0.78 -0.87 1.73 0.00 0.68 0.00 0.00 175.17 177.49 1hjk h ALA 240 N 2.49 1.10 -0.07 2.11 0.00 -0.97 -2.14 119.26 121.78 1hjk h ALA 240 Ca -0.34 -0.31 0.01 0.00 0.00 0.00 0.00 54.91 54.26 1hjk h ALA 240 Cb 1.25 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.88 1hjk h ALA 240 CO 0.51 0.56 -0.00 0.00 0.00 0.00 0.00 179.25 180.31 1hjk h ALA 241 N 1.28 0.05 0.00 0.00 0.00 -1.89 -2.74 119.26 115.97 1hjk h ALA 241 Ca 0.09 0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.99 1hjk h ALA 241 Cb 0.59 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.41 1hjk h ALA 241 CO 0.04 -0.48 -0.14 0.66 0.00 0.00 0.00 179.25 179.33 1hjk h SER 242 N 0.02 0.00 -0.46 0.00 4.64 -1.95 -2.80 113.55 113.01 1hjk h SER 242 Ca 0.03 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.31 1hjk h SER 242 Cb 0.04 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.11 1hjk h SER 242 CO -0.05 0.14 0.13 0.25 -0.87 0.00 0.00 176.83 176.43 1hjk h LEU 243 N 0.00 0.68 -1.06 5.97 5.85 -1.14 -3.00 115.31 122.61 1hjk h LEU 243 Ca -0.00 -0.22 -0.09 0.00 0.84 0.00 0.00 57.88 58.41 1hjk h LEU 243 Cb 0.84 -0.18 -0.01 0.00 0.37 0.00 0.00 40.66 41.68 1hjk h LEU 243 CO 0.02 0.72 -0.33 0.78 -0.34 0.00 0.00 178.44 179.28 1hjk h ASN 244 N 0.61 0.25 -0.56 1.25 4.21 -1.29 -2.39 115.58 117.66 1hjk h ASN 244 Ca 0.15 -0.09 0.07 0.00 1.21 0.00 0.00 56.30 57.64 1hjk h ASN 244 Cb 0.29 -0.07 -0.03 0.00 -1.12 0.00 0.00 38.32 37.39 1hjk h ASN 244 CO -0.00 0.57 0.37 0.28 -1.29 0.00 0.00 177.43 177.36 1hjk h SER 245 N 0.21 0.41 -1.52 5.81 0.02 -1.35 -3.41 113.55 113.71 1hjk h SER 245 Ca 0.03 0.00 -0.59 0.00 -0.84 0.00 0.00 61.79 60.39 1hjk h SER 245 Cb 0.70 -0.08 -0.01 0.00 0.14 0.00 0.00 62.40 63.15 1hjk h SER 245 CO 0.05 0.26 1.51 0.52 -1.14 0.00 0.00 176.83 178.04 1hjk n VAL 246 N -4.47 0.19 0.85 2.27 0.31 -0.90 -4.82 118.33 111.75 1hjk n VAL 246 Ca 0.08 -0.45 0.11 0.00 -0.01 0.00 0.00 64.34 64.07 1hjk n VAL 246 Cb 0.28 -2.23 0.10 0.00 -0.91 0.00 0.00 33.84 31.09 1hjk n VAL 246 CO 0.00 0.00 0.00 0.35 -1.32 0.00 0.00 176.83 175.86 1hjk n THR 247 N 7.63 0.06 -3.71 2.52 -2.24 -1.26 -4.95 114.28 112.32 1hjk n THR 247 Ca 0.37 -0.53 -0.12 0.00 -2.27 0.00 0.00 64.05 61.50 1hjk n THR 247 Cb 0.38 1.40 -0.11 0.00 -2.10 0.00 0.00 70.33 69.91 1hjk n THR 247 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 1hjk s GLU 248 N -1.79 0.42 -0.03 -0.78 2.02 -1.26 -5.02 118.70 112.26 1hjk s GLU 248 Ca 0.27 0.69 -0.00 0.00 0.02 0.00 0.00 54.97 55.95 1hjk s GLU 248 Cb 0.19 0.07 0.03 0.00 0.10 0.00 0.00 34.13 34.52 1hjk s GLU 248 CO 0.28 -0.12 0.02 0.00 0.02 0.00 0.00 175.26 175.46 1hjk s ALA 249 N 0.93 0.27 0.15 5.21 0.00 -1.25 -4.80 121.76 122.26 1hjk s ALA 249 Ca -0.06 0.18 -0.13 0.00 0.00 0.00 0.00 51.96 51.95 1hjk s ALA 249 Cb -0.06 -0.42 0.05 0.00 0.00 0.00 0.00 23.12 22.69 1hjk s ALA 249 CO -0.07 -0.22 0.65 0.27 0.00 0.00 0.00 175.76 176.39 1hjk n ASN 250 N 4.53 -1.22 0.27 0.00 0.23 0.67 -4.93 115.26 114.81 1hjk n ASN 250 Ca -0.19 -1.68 0.18 0.00 -0.53 0.00 0.00 54.58 52.35 1hjk n ASN 250 Cb 0.50 1.99 0.96 0.00 -2.08 0.00 0.00 39.78 41.15 1hjk n ASN 250 CO 0.00 0.00 0.00 1.56 -0.93 0.00 0.00 177.26 177.89 1hjk h GLN 251 N 0.00 0.00 0.00 -3.83 1.08 -1.93 0.38 115.11 110.81 1hjk h GLN 251 Ca -0.19 0.00 -0.11 0.00 -1.45 0.00 0.00 58.65 56.90 1hjk h GLN 251 Cb 0.80 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 28.20 1hjk h GLN 251 CO 0.25 0.00 -1.81 0.00 -0.95 0.00 0.00 178.83 176.32 1hjk n GLN 252 N -2.74 1.03 -3.30 1.46 0.00 -1.26 -4.61 117.38 107.97 1hjk n GLN 252 Ca -0.02 -0.08 -0.26 0.00 0.00 0.00 0.00 57.00 56.64 1hjk n GLN 252 Cb 0.06 -1.36 -0.07 0.00 0.00 0.00 0.00 30.24 28.87 1hjk n GLN 252 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.06 178.69 1hjk n LYS 253 N -2.24 2.24 -2.81 2.61 5.02 -0.60 -4.78 118.16 117.59 1hjk n LYS 253 Ca -0.12 -4.38 -0.40 0.00 -2.02 0.00 0.00 58.31 51.39 1hjk n LYS 253 Cb 0.64 -2.04 -0.05 0.00 -0.02 0.00 0.00 35.03 33.57 1hjk n LYS 253 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 1hjk s PRO 254 N -2.39 4.67 -0.07 1.97 0.04 0.12 -0.23 135.00 139.11 1hjk s PRO 254 Ca 0.40 1.34 -0.19 0.00 0.04 0.00 0.00 61.00 62.59 1hjk s PRO 254 Cb 0.18 -3.35 -0.05 0.00 0.04 0.00 0.00 34.50 31.33 1hjk s PRO 254 CO -0.05 0.31 0.54 -1.17 0.04 0.00 0.00 177.00 176.67 1hjk s LEU 255 N -0.30 4.34 -0.29 -3.56 2.96 0.10 -0.88 118.68 121.05 1hjk s LEU 255 Ca 0.43 0.99 -0.01 0.00 -0.22 0.00 0.00 54.13 55.32 1hjk s LEU 255 Cb -0.23 -2.81 0.09 0.00 0.50 0.00 0.00 46.19 43.74 1hjk s LEU 255 CO 0.28 0.04 0.08 -0.22 -1.32 0.00 0.00 176.35 175.21 1hjk s LEU 256 N 0.28 2.15 -0.29 -0.68 2.96 -0.34 -1.15 118.68 121.61 1hjk s LEU 256 Ca 0.29 -1.53 -0.10 0.00 -0.22 0.00 0.00 54.13 52.58 1hjk s LEU 256 Cb -0.17 -0.85 -0.03 0.00 0.50 0.00 0.00 46.19 45.64 1hjk s LEU 256 CO 0.14 -0.39 0.15 -0.83 -1.32 0.00 0.00 176.35 174.10 1hjk s GLY 257 N 1.63 1.87 -0.38 7.98 0.00 -0.24 -1.18 107.32 117.00 1hjk s GLY 257 Ca 0.08 -1.24 0.02 0.00 0.00 0.00 0.00 44.72 43.58 1hjk s GLY 257 CO -0.22 0.65 0.12 1.08 0.00 0.00 0.00 173.10 174.73 1hjk s LEU 258 N 1.67 4.88 -0.14 0.66 1.43 -0.93 -1.00 118.68 125.25 1hjk s LEU 258 Ca 0.06 -2.22 0.16 0.00 -1.03 0.00 0.00 54.13 51.10 1hjk s LEU 258 Cb -0.16 -1.69 0.71 0.00 0.03 0.00 0.00 46.19 45.07 1hjk s LEU 258 CO 0.08 -0.41 1.60 0.49 0.23 0.00 0.00 176.35 178.34 1hjk n PHE 259 N 4.22 1.57 0.00 0.29 3.72 0.11 -4.42 117.46 122.95 1hjk n PHE 259 Ca 0.03 -0.59 0.00 0.00 -0.05 0.00 0.00 57.45 56.83 1hjk n PHE 259 Cb 0.41 -0.31 0.00 0.00 -0.94 0.00 0.00 39.48 38.64 1hjk n PHE 259 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1hjk n ALA 260 N 0.91 0.00 0.42 4.37 0.00 -1.26 -4.88 120.51 120.07 1hjk n ALA 260 Ca 0.25 0.00 -0.16 0.00 0.00 0.00 0.00 53.44 53.52 1hjk n ALA 260 Cb 0.93 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 20.31 1hjk n ALA 260 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 1hjk h ASP 261 N 0.00 -0.90 0.00 0.00 5.19 -1.93 -1.92 116.42 116.85 1hjk h ASP 261 Ca 0.00 0.03 0.00 0.00 -0.62 0.00 0.00 57.03 56.44 1hjk h ASP 261 Cb 0.00 0.23 0.00 0.00 0.18 0.00 0.00 39.33 39.74 1hjk h ASP 261 CO 0.00 -0.62 0.00 0.61 -3.12 0.00 0.00 179.24 176.11 1hjk n GLY 262 N -1.35 0.45 3.76 2.75 0.00 -1.26 -1.45 105.19 108.08 1hjk n GLY 262 Ca -0.13 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.49 1hjk n GLY 262 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1hjk s ASN 263 N -1.00 7.39 0.99 1.61 0.01 -1.26 0.34 114.94 123.03 1hjk s ASN 263 Ca 0.00 1.65 -0.13 0.00 -0.71 0.00 0.00 52.86 53.67 1hjk s ASN 263 Cb 0.00 -2.52 0.09 0.00 0.41 0.00 0.00 41.25 39.23 1hjk s ASN 263 CO 0.00 0.12 0.51 0.23 -1.51 0.00 0.00 177.10 176.45 1hjk n MET 264 N 2.03 -0.71 -2.21 -0.60 2.81 -0.80 -4.92 117.12 112.73 1hjk n MET 264 Ca -0.03 -0.16 -0.39 0.00 -1.81 0.00 0.00 57.70 55.30 1hjk n MET 264 Cb 0.49 -1.95 -0.01 0.00 -0.71 0.00 0.00 33.22 31.04 1hjk n MET 264 CO 0.00 0.00 0.00 -1.25 1.51 0.00 0.00 175.97 176.23 1hjk s PRO 265 N -3.84 4.05 0.38 0.03 0.04 -1.26 -4.96 135.00 129.45 1hjk s PRO 265 Ca 0.59 1.97 -0.25 0.00 0.04 0.00 0.00 61.00 63.35 1hjk s PRO 265 Cb -0.20 -2.74 -0.09 0.00 0.04 0.00 0.00 34.50 31.51 1hjk s PRO 265 CO 0.65 -0.36 1.08 0.14 0.04 0.00 0.00 177.00 178.56 1hjk s VAL 266 N -1.34 3.55 0.20 -0.36 -7.23 -1.26 -4.94 120.40 109.02 1hjk s VAL 266 Ca 0.56 1.26 -0.11 0.00 -1.81 0.00 0.00 61.98 61.88 1hjk s VAL 266 Cb -0.34 -3.69 0.13 0.00 0.56 0.00 0.00 36.38 33.04 1hjk s VAL 266 CO 0.43 0.08 1.87 -0.09 -0.31 0.00 0.00 175.10 177.07 1hjk h ARG 267 N 2.70 0.89 -5.32 4.82 2.43 -1.90 -3.41 114.38 114.58 1hjk h ARG 267 Ca -0.48 -0.05 -0.45 0.00 -0.81 0.00 0.00 59.98 58.19 1hjk h ARG 267 Cb 1.22 -0.20 -0.25 0.00 -0.42 0.00 0.00 29.97 30.32 1hjk h ARG 267 CO 0.63 0.59 -0.79 -1.58 -1.51 0.00 0.00 179.97 177.30 1hjk s TRP 268 N -6.14 1.23 0.13 2.20 0.51 -1.26 -0.82 118.94 114.79 1hjk s TRP 268 Ca -0.13 -0.35 0.03 0.00 -2.12 0.00 0.00 56.10 53.53 1hjk s TRP 268 Cb 0.14 -0.73 -0.04 0.00 -0.81 0.00 0.00 33.47 32.03 1hjk s TRP 268 CO 0.77 0.03 0.18 -0.51 -0.51 0.00 0.00 176.95 176.91 1hjk s LEU 269 N -1.12 4.04 0.00 2.99 1.43 0.72 -3.88 118.68 122.86 1hjk s LEU 269 Ca 0.02 0.03 0.00 0.00 -1.03 0.00 0.00 54.13 53.15 1hjk s LEU 269 Cb -0.08 -2.65 0.00 0.00 0.03 0.00 0.00 46.19 43.49 1hjk s LEU 269 CO 0.01 0.09 0.00 0.61 0.23 0.00 0.00 176.35 177.29 1hjk n GLY 270 N -0.21 0.83 3.88 -3.19 0.00 -1.26 -1.94 105.19 103.31 1hjk n GLY 270 Ca -0.08 -0.57 -0.30 0.00 0.00 0.00 0.00 46.02 45.08 1hjk n GLY 270 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1hjk s PRO 271 N -2.00 2.60 0.49 1.61 0.04 -1.26 -4.82 135.00 131.66 1hjk s PRO 271 Ca 0.00 0.39 -0.21 0.00 0.04 0.00 0.00 61.00 61.22 1hjk s PRO 271 Cb 0.00 -2.00 -0.07 0.00 0.04 0.00 0.00 34.50 32.47 1hjk s PRO 271 CO 0.00 -1.20 1.10 0.15 0.04 0.00 0.00 177.00 177.09 1hjk s LYS 272 N -5.40 3.70 0.83 4.56 1.02 -1.26 -4.55 119.74 118.64 1hjk s LYS 272 Ca 0.59 1.56 -0.11 0.00 0.02 0.00 0.00 55.97 58.03 1hjk s LYS 272 Cb -0.11 -2.20 0.09 0.00 -0.52 0.00 0.00 37.83 35.09 1hjk s LYS 272 CO 0.51 -0.55 1.14 0.00 -0.92 0.00 0.00 175.35 175.53 1hjk s ALA 273 N -1.77 1.86 0.21 5.17 0.00 0.22 -4.98 121.76 122.48 1hjk s ALA 273 Ca 0.67 0.56 -0.16 0.00 0.00 0.00 0.00 51.96 53.02 1hjk s ALA 273 Cb -0.22 -3.40 0.02 0.00 0.00 0.00 0.00 23.12 19.52 1hjk s ALA 273 CO 0.27 -2.25 0.51 0.95 0.00 0.00 0.00 175.76 175.24 1hjk s THR 274 N -2.58 0.02 -0.15 0.00 -4.23 -0.07 -4.62 115.64 104.02 1hjk s THR 274 Ca 0.67 -0.95 -0.35 0.00 -1.18 0.00 0.00 61.69 59.87 1hjk s THR 274 Cb -0.22 -1.73 -0.12 0.00 1.34 0.00 0.00 72.50 71.76 1hjk s THR 274 CO 0.54 -0.11 1.89 0.00 -0.54 0.00 0.00 174.62 176.40 1hjk n TYR 275 N -0.34 2.23 -3.63 3.99 9.36 -1.24 -0.57 117.16 126.96 1hjk n TYR 275 Ca -0.08 0.10 -0.26 0.00 3.32 0.00 0.00 57.90 60.98 1hjk n TYR 275 Cb 0.62 -2.62 0.04 0.00 -0.63 0.00 0.00 39.34 36.75 1hjk n TYR 275 CO 0.00 0.00 0.00 0.72 0.22 0.00 0.00 176.86 177.80 1hjk n HIS 276 N 6.78 -2.40 0.12 2.98 8.25 -1.26 -4.87 115.22 124.82 1hjk n HIS 276 Ca 0.25 0.85 -0.03 0.00 -0.26 0.00 0.00 57.72 58.53 1hjk n HIS 276 Cb 0.26 -4.31 0.14 0.00 1.12 0.00 0.00 29.99 27.21 1hjk n HIS 276 CO 0.00 0.00 0.00 0.78 0.64 0.00 0.00 176.34 177.76 1hjk h GLY 277 N -2.09 0.08 2.00 -1.41 0.00 -1.05 -1.10 103.07 99.49 1hjk h GLY 277 Ca -0.56 -0.10 0.00 0.00 0.00 0.00 0.00 47.33 46.67 1hjk h GLY 277 CO 0.61 0.09 0.00 1.16 0.00 0.00 0.00 176.54 178.40 1hjk n ASN 278 N -3.81 0.25 -0.09 0.19 6.94 -1.26 -2.16 115.26 115.32 1hjk n ASN 278 Ca -0.02 0.54 -0.17 0.00 -0.02 0.00 0.00 54.58 54.91 1hjk n ASN 278 Cb 0.63 -0.60 -0.07 0.00 -2.36 0.00 0.00 39.78 37.38 1hjk n ASN 278 CO 0.00 0.00 0.00 2.30 -1.03 0.00 0.00 177.26 178.53 1hjk n ILE 279 N -1.76 0.97 0.08 1.53 -5.35 -1.02 -4.76 119.36 109.06 1hjk n ILE 279 Ca 0.04 -0.27 -0.13 0.00 -0.27 0.00 0.00 62.75 62.12 1hjk n ILE 279 Cb 0.27 -1.60 -0.08 0.00 -1.74 0.00 0.00 39.64 36.48 1hjk n ILE 279 CO 0.00 0.00 0.00 0.44 -1.76 0.00 0.00 176.55 175.23 1hjk h ASP 280 N -0.50 -0.17 -2.55 7.28 3.32 -1.32 -3.45 116.42 119.03 1hjk h ASP 280 Ca -0.43 -0.25 -0.44 0.00 0.02 0.00 0.00 57.03 55.92 1hjk h ASP 280 Cb 1.43 0.05 0.04 0.00 0.22 0.00 0.00 39.33 41.07 1hjk h ASP 280 CO -0.23 0.17 -0.05 -0.54 -1.72 0.00 0.00 179.24 176.88 1hjk s LYS 281 N -4.78 2.64 0.49 3.56 3.01 -0.92 -5.07 119.74 118.68 1hjk s LYS 281 Ca -0.15 -0.73 -0.05 0.00 -1.01 0.00 0.00 55.97 54.03 1hjk s LYS 281 Cb 0.03 -2.50 -0.03 0.00 -1.01 0.00 0.00 37.83 34.31 1hjk s LYS 281 CO 0.61 -0.63 0.80 -1.25 0.51 0.00 0.00 175.35 175.39 1hjk s PRO 282 N -4.72 3.50 0.58 -1.68 0.04 -1.26 -4.65 135.00 126.81 1hjk s PRO 282 Ca 0.56 0.20 -0.20 0.00 0.04 0.00 0.00 61.00 61.59 1hjk s PRO 282 Cb -0.10 -2.36 -0.04 0.00 0.04 0.00 0.00 34.50 32.04 1hjk s PRO 282 CO 0.38 -0.25 1.28 0.00 0.04 0.00 0.00 177.00 178.45 1hjk n ALA 283 N -2.30 1.23 -2.84 8.56 0.00 -1.26 -4.73 120.51 119.18 1hjk n ALA 283 Ca 0.01 0.07 -0.23 0.00 0.00 0.00 0.00 53.44 53.30 1hjk n ALA 283 Cb 0.55 -2.31 -0.04 0.00 0.00 0.00 0.00 19.45 17.65 1hjk n ALA 283 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1hjk s VAL 284 N -1.34 4.56 -0.03 0.00 1.01 0.49 -4.90 120.40 120.19 1hjk s VAL 284 Ca 0.76 -1.29 -0.01 0.00 0.00 0.00 0.00 61.98 61.44 1hjk s VAL 284 Cb -0.41 -3.44 0.03 0.00 0.00 0.00 0.00 36.38 32.56 1hjk s VAL 284 CO 0.46 -0.30 0.04 -0.89 0.00 0.00 0.00 175.10 174.41 1hjk s THR 285 N -2.04 -0.02 0.58 3.92 2.01 -1.26 -1.12 115.64 117.70 1hjk s THR 285 Ca 0.33 0.29 -0.18 0.00 0.31 0.00 0.00 61.69 62.43 1hjk s THR 285 Cb -0.08 -0.16 -0.04 0.00 0.01 0.00 0.00 72.50 72.22 1hjk s THR 285 CO 0.25 0.15 1.15 0.00 -0.69 0.00 0.00 174.62 175.47 1hjk s THR 287 N -1.83 1.25 0.29 0.00 -1.32 -0.82 -4.98 115.64 108.24 1hjk s THR 287 Ca 0.73 -0.64 -0.29 0.00 -1.21 0.00 0.00 61.69 60.28 1hjk s THR 287 Cb -0.25 -1.07 -0.10 0.00 -1.51 0.00 0.00 72.50 69.57 1hjk s THR 287 CO 0.31 0.36 1.36 -2.84 -2.21 0.00 0.00 174.62 171.60 1hjk s PRO 288 N -0.05 4.32 -0.43 7.08 0.02 -1.26 0.26 135.00 144.94 1hjk s PRO 288 Ca -0.01 2.24 -0.28 0.00 0.02 0.00 0.00 61.00 62.97 1hjk s PRO 288 Cb -0.09 -3.10 -0.01 0.00 0.02 0.00 0.00 34.50 31.32 1hjk s PRO 288 CO 0.01 -0.29 1.67 1.21 -0.33 0.00 0.00 177.00 179.28 1hjk s ASN 289 N -0.08 5.90 0.62 2.53 2.47 -0.00 -4.65 114.94 121.73 1hjk s ASN 289 Ca 0.54 0.88 0.34 0.00 0.42 0.00 0.00 52.86 55.03 1hjk s ASN 289 Cb -0.40 -2.53 1.92 0.00 -1.45 0.00 0.00 41.25 38.78 1hjk s ASN 289 CO 0.48 -1.77 2.21 1.55 -3.72 0.00 0.00 177.10 175.84 1hjk h PRO 290 N 12.56 0.00 -0.05 0.43 0.13 -1.92 -1.45 132.00 141.69 1hjk h PRO 290 Ca -0.30 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.83 1hjk h PRO 290 Cb 1.14 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.27 1hjk h PRO 290 CO 1.10 0.00 0.00 1.04 -0.23 0.00 0.00 178.00 179.91 1hjk n GLN 291 N -3.53 1.17 0.07 0.86 6.02 -1.26 -4.01 117.38 116.71 1hjk n GLN 291 Ca -0.01 -0.26 -0.03 0.00 -0.01 0.00 0.00 57.00 56.68 1hjk n GLN 291 Cb 0.19 -1.23 -0.01 0.00 1.02 0.00 0.00 30.24 30.21 1hjk n GLN 291 CO 0.00 0.00 0.00 0.07 -1.01 0.00 0.00 177.06 176.12 1hjk h ARG 292 N 0.49 -0.19 0.00 -1.09 0.11 -1.54 -3.47 114.38 108.70 1hjk h ARG 292 Ca 0.00 0.01 0.00 0.00 0.10 0.00 0.00 59.98 60.09 1hjk h ARG 292 Cb 0.11 0.04 0.00 0.00 1.11 0.00 0.00 29.97 31.23 1hjk h ARG 292 CO 0.00 -0.12 0.00 0.09 0.10 0.00 0.00 179.97 180.04 1hjk n ASN 293 N -2.58 0.00 0.03 0.08 3.02 -1.26 -4.51 115.26 110.04 1hjk n ASN 293 Ca -0.02 0.00 -0.01 0.00 -0.03 0.00 0.00 54.58 54.51 1hjk n ASN 293 Cb 0.08 0.00 -0.09 0.00 -0.61 0.00 0.00 39.78 39.16 1hjk n ASN 293 CO 0.00 0.00 0.00 -0.78 -2.62 0.00 0.00 177.26 173.86 1hjk h ASP 294 N 0.00 0.00 1.41 6.41 3.58 -1.96 -3.25 116.42 122.62 1hjk h ASP 294 Ca 0.00 0.00 -0.00 0.00 0.42 0.00 0.00 57.03 57.45 1hjk h ASP 294 Cb 0.00 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 41.05 1hjk h ASP 294 CO 0.00 0.65 -0.59 0.77 -2.88 0.00 0.00 179.24 177.19 1hjk h SER 295 N 0.00 0.00 -3.60 2.28 4.64 -2.01 -3.46 113.55 111.40 1hjk h SER 295 Ca -0.18 0.00 -0.69 0.00 -0.47 0.00 0.00 61.79 60.46 1hjk h SER 295 Cb 1.65 0.00 -0.19 0.00 -0.31 0.00 0.00 62.40 63.55 1hjk h SER 295 CO 0.05 0.01 -0.35 -0.69 -0.87 0.00 0.00 176.83 174.98 1hjk s VAL 296 N -3.29 5.20 0.31 0.95 1.01 -1.23 -0.29 120.40 123.07 1hjk s VAL 296 Ca 0.03 -0.29 -0.29 0.00 0.00 0.00 0.00 61.98 61.42 1hjk s VAL 296 Cb 0.08 -3.87 -0.12 0.00 0.00 0.00 0.00 36.38 32.46 1hjk s VAL 296 CO 0.74 -0.20 1.40 -0.81 0.00 0.00 0.00 175.10 176.22 1hjk n PRO 297 N 5.30 2.27 -1.33 2.72 -0.04 -1.26 -4.79 135.00 137.87 1hjk n PRO 297 Ca -0.10 0.80 -0.29 0.00 -0.04 0.00 0.00 63.50 63.87 1hjk n PRO 297 Cb 0.48 -2.46 0.18 0.00 -0.04 0.00 0.00 33.50 31.66 1hjk n PRO 297 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 1hjk s THR 298 N -0.63 1.92 0.27 0.52 -4.23 -1.26 -4.83 115.64 107.40 1hjk s THR 298 Ca 0.60 0.00 -0.01 0.00 -1.18 0.00 0.00 61.69 61.10 1hjk s THR 298 Cb -0.57 -2.62 0.13 0.00 1.34 0.00 0.00 72.50 70.78 1hjk s THR 298 CO 0.57 0.00 1.78 0.25 -0.54 0.00 0.00 174.62 176.68 1hjk h LEU 299 N -1.89 0.75 -0.95 4.79 5.85 -1.93 -1.23 115.31 120.70 1hjk h LEU 299 Ca -0.51 -0.17 -0.10 0.00 0.84 0.00 0.00 57.88 57.95 1hjk h LEU 299 Cb 1.32 -0.20 -0.01 0.00 0.37 0.00 0.00 40.66 42.14 1hjk h LEU 299 CO 0.53 0.80 -0.31 0.00 -0.34 0.00 0.00 178.44 179.12 1hjk h ALA 300 N 1.29 1.11 -0.40 1.25 0.00 -1.88 -2.02 119.26 118.61 1hjk h ALA 300 Ca 0.15 -0.37 -0.15 0.00 0.00 0.00 0.00 54.91 54.55 1hjk h ALA 300 Cb 0.40 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 1hjk h ALA 300 CO 0.01 0.56 -0.33 1.96 0.00 0.00 0.00 179.25 181.46 1hjk h GLN 301 N 0.33 0.93 -0.34 0.00 4.20 -1.79 -2.65 115.11 115.81 1hjk h GLN 301 Ca 0.04 -0.47 -0.03 0.00 0.06 0.00 0.00 58.65 58.26 1hjk h GLN 301 Cb 0.72 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.49 1hjk h GLN 301 CO 0.05 1.12 0.10 0.52 -0.67 0.00 0.00 178.83 179.96 1hjk h MET 302 N 0.76 0.53 -0.70 1.46 2.86 -0.62 -2.73 114.93 116.48 1hjk h MET 302 Ca 0.07 -0.12 0.03 0.00 -2.06 0.00 0.00 59.70 57.62 1hjk h MET 302 Cb 0.92 -0.07 -0.04 0.00 0.06 0.00 0.00 31.60 32.46 1hjk h MET 302 CO 0.09 0.57 0.44 1.15 1.06 0.00 0.00 176.91 180.22 1hjk h THR 303 N 0.39 1.11 -0.01 2.22 2.02 -1.43 -0.26 112.91 116.95 1hjk h THR 303 Ca 0.11 -0.30 -0.00 0.00 0.77 0.00 0.00 66.41 66.99 1hjk h THR 303 Cb 0.27 0.16 -0.00 0.00 -1.74 0.00 0.00 68.15 66.84 1hjk h THR 303 CO -0.00 0.16 0.00 -0.78 0.37 0.00 0.00 175.52 175.27 1hjk h ASP 304 N 0.87 0.02 -0.63 4.18 3.58 -1.41 -0.78 116.42 122.26 1hjk h ASP 304 Ca 0.28 -0.28 0.02 0.00 0.42 0.00 0.00 57.03 57.47 1hjk h ASP 304 Cb -0.00 -0.01 -0.04 0.00 1.72 0.00 0.00 39.33 41.00 1hjk h ASP 304 CO -0.10 0.29 0.40 0.50 -2.88 0.00 0.00 179.24 177.45 1hjk h LYS 305 N -0.25 0.76 0.30 0.28 1.63 -1.15 -0.38 116.57 117.77 1hjk h LYS 305 Ca 0.00 -0.05 -0.01 0.00 -0.85 0.00 0.00 60.65 59.75 1hjk h LYS 305 Cb 0.28 -0.17 -0.01 0.00 -0.60 0.00 0.00 32.23 31.73 1hjk h LYS 305 CO 0.00 0.50 -0.21 0.00 -3.45 0.00 0.00 179.45 176.29 1hjk h ALA 306 N 1.27 -0.50 -0.85 5.00 0.00 -0.94 0.23 119.26 123.47 1hjk h ALA 306 Ca 0.25 -0.09 0.10 0.00 0.00 0.00 0.00 54.91 55.17 1hjk h ALA 306 Cb -0.00 0.28 -0.08 0.00 0.00 0.00 0.00 17.79 17.99 1hjk h ALA 306 CO -0.09 -0.80 0.49 0.82 0.00 0.00 0.00 179.25 179.67 1hjk h ILE 307 N -0.51 0.90 0.66 0.00 2.04 -0.81 0.56 117.51 120.35 1hjk h ILE 307 Ca -0.03 -0.28 -0.03 0.00 1.00 0.00 0.00 64.86 65.53 1hjk h ILE 307 Cb 0.44 0.02 -0.00 0.00 -0.74 0.00 0.00 36.82 36.54 1hjk h ILE 307 CO 0.01 0.15 -0.39 -0.08 0.00 0.00 0.00 178.15 177.83 1hjk h GLU 308 N 0.81 -0.95 -0.93 2.37 4.81 -0.47 0.24 114.58 120.45 1hjk h GLU 308 Ca 0.41 0.06 0.01 0.00 -0.13 0.00 0.00 59.36 59.72 1hjk h GLU 308 Cb 0.40 0.22 -0.05 0.00 0.63 0.00 0.00 28.75 29.95 1hjk h GLU 308 CO -0.26 -0.63 0.62 -0.07 -0.73 0.00 0.00 179.01 177.94 1hjk h LEU 309 N -0.99 1.07 0.00 1.64 3.38 -0.18 -2.89 115.31 117.35 1hjk h LEU 309 Ca -0.08 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.86 1hjk h LEU 309 Cb 0.79 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 41.28 1hjk h LEU 309 CO 0.10 0.77 -0.13 0.18 0.09 0.00 0.00 178.44 179.44 1hjk n LEU 310 N -4.40 0.27 0.14 1.67 4.77 0.19 -3.32 117.00 116.32 1hjk n LEU 310 Ca 0.11 0.41 0.02 0.00 -0.03 0.00 0.00 56.01 56.51 1hjk n LEU 310 Cb 0.03 -0.40 0.10 0.00 -2.33 0.00 0.00 43.42 40.81 1hjk n LEU 310 CO 0.37 -0.01 0.48 0.77 -1.33 0.00 0.00 177.39 177.66 1hjk h SER 311 N 0.00 0.00 -0.33 -1.43 4.64 -0.30 -3.18 113.55 112.96 1hjk h SER 311 Ca 0.00 0.00 0.08 0.00 -0.47 0.00 0.00 61.79 61.40 1hjk h SER 311 Cb 0.55 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.63 1hjk h SER 311 CO 0.00 0.56 0.23 0.11 -0.87 0.00 0.00 176.83 176.86 1hjk h LYS 312 N 0.00 0.05 -6.21 4.77 1.57 -1.63 -3.39 116.57 111.73 1hjk h LYS 312 Ca -0.01 -0.00 -0.57 0.00 -1.87 0.00 0.00 60.65 58.20 1hjk h LYS 312 Cb 1.30 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 33.58 1hjk h LYS 312 CO 0.07 0.04 1.27 1.21 -0.57 0.00 0.00 179.45 181.47 1hjk s ASN 313 N -6.57 6.06 0.17 0.86 3.84 -1.20 -4.85 114.94 113.24 1hjk s ASN 313 Ca -0.05 1.82 -0.17 0.00 0.21 0.00 0.00 52.86 54.67 1hjk s ASN 313 Cb 0.19 -2.52 0.10 0.00 -0.55 0.00 0.00 41.25 38.46 1hjk s ASN 313 CO 0.71 -1.49 1.68 -0.33 -2.79 0.00 0.00 177.10 174.88 1hjk h GLU 314 N 12.24 0.04 0.00 0.43 4.39 -1.90 -3.00 114.58 126.78 1hjk h GLU 314 Ca -0.38 -0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.31 1hjk h GLU 314 Cb 1.19 -0.01 0.00 0.00 -0.10 0.00 0.00 28.75 29.83 1hjk h GLU 314 CO 0.98 0.02 0.00 -0.22 -1.16 0.00 0.00 179.01 178.64 1hjk h LYS 315 N 0.04 0.00 0.00 2.33 1.63 -1.88 -3.49 116.57 115.20 1hjk h LYS 315 Ca 0.19 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.99 1hjk h LYS 315 Cb 0.29 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.92 1hjk h LYS 315 CO -0.38 0.00 0.00 0.41 -3.45 0.00 0.00 179.45 176.03 1hjk n GLY 316 N -0.73 0.94 3.52 5.01 0.00 -1.13 -4.92 105.19 107.87 1hjk n GLY 316 Ca -0.02 -2.28 -0.10 0.00 0.00 0.00 0.00 46.02 43.62 1hjk n GLY 316 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1hjk s PHE 317 N -1.08 -0.36 -0.11 1.61 -0.12 -1.24 -1.30 117.98 115.37 1hjk s PHE 317 Ca 0.00 0.06 0.01 0.00 -0.05 0.00 0.00 56.93 56.95 1hjk s PHE 317 Cb 0.00 0.53 0.02 0.00 -0.63 0.00 0.00 43.02 42.94 1hjk s PHE 317 CO 0.00 -0.93 -0.13 0.12 -0.05 0.00 0.00 175.22 174.23 1hjk s PHE 318 N -3.81 1.86 -0.06 3.49 5.36 0.80 -1.40 117.98 124.21 1hjk s PHE 318 Ca 0.05 -0.91 0.03 0.00 -0.96 0.00 0.00 56.93 55.14 1hjk s PHE 318 Cb -0.02 -1.38 0.01 0.00 -0.34 0.00 0.00 43.02 41.28 1hjk s PHE 318 CO -0.07 -0.51 -0.14 -1.17 -1.46 0.00 0.00 175.22 171.87 1hjk s LEU 319 N 1.22 1.78 -0.17 6.12 2.96 -0.08 -0.16 118.68 130.36 1hjk s LEU 319 Ca -0.02 -0.33 0.01 0.00 -0.22 0.00 0.00 54.13 53.57 1hjk s LEU 319 Cb -0.14 -0.89 0.02 0.00 0.50 0.00 0.00 46.19 45.68 1hjk s LEU 319 CO -0.05 0.09 -0.19 -1.58 -1.32 0.00 0.00 176.35 173.30 1hjk s GLN 320 N 0.39 2.87 -0.16 1.98 0.74 -0.53 -0.73 119.66 124.21 1hjk s GLN 320 Ca -0.10 -0.79 -0.01 0.00 0.05 0.00 0.00 55.36 54.51 1hjk s GLN 320 Cb -0.14 -2.46 -0.01 0.00 1.10 0.00 0.00 33.01 31.50 1hjk s GLN 320 CO 0.03 -0.18 -0.10 0.08 -0.55 0.00 0.00 175.29 174.57 1hjk s VAL 321 N 1.24 3.16 -0.16 1.34 1.01 0.04 -0.75 120.40 126.28 1hjk s VAL 321 Ca 0.03 -0.60 0.00 0.00 0.00 0.00 0.00 61.98 61.41 1hjk s VAL 321 Cb -0.13 -2.36 -0.00 0.00 0.00 0.00 0.00 36.38 33.88 1hjk s VAL 321 CO -0.11 0.49 -0.15 -0.70 0.00 0.00 0.00 175.10 174.63 1hjk s GLU 322 N 0.73 3.21 -0.90 2.72 2.12 0.19 -0.97 118.70 125.81 1hjk s GLU 322 Ca -0.05 -0.75 -0.18 0.00 0.36 0.00 0.00 54.97 54.36 1hjk s GLU 322 Cb -0.15 -2.63 0.15 0.00 0.26 0.00 0.00 34.13 31.76 1hjk s GLU 322 CO 0.02 0.01 1.05 0.20 -0.54 0.00 0.00 175.26 176.00 1hjk s GLY 323 N 0.83 2.05 0.02 -1.50 0.00 0.25 -2.76 107.32 106.21 1hjk s GLY 323 Ca -0.05 -2.84 -0.25 0.00 0.00 0.00 0.00 44.72 41.58 1hjk s GLY 323 CO -0.00 1.87 1.43 0.00 0.00 0.00 0.00 173.10 176.40 1hjk h ALA 324 N 8.67 -0.06 0.00 3.20 0.00 -1.88 -2.78 119.26 126.40 1hjk h ALA 324 Ca 0.13 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1hjk h ALA 324 Cb 1.03 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.84 1hjk h ALA 324 CO 1.05 -0.39 0.00 0.43 0.00 0.00 0.00 179.25 180.34 1hjk n SER 325 N -4.98 0.00 0.16 0.00 7.64 -1.26 -3.67 113.62 111.51 1hjk n SER 325 Ca -0.08 -0.38 -0.14 0.00 1.01 0.00 0.00 58.87 59.28 1hjk n SER 325 Cb 0.18 -0.09 -0.06 0.00 -1.01 0.00 0.00 64.21 63.22 1hjk n SER 325 CO 0.00 0.00 0.00 0.40 -3.01 0.00 0.00 175.04 172.43 1hjk h ILE 326 N 0.00 0.49 -0.65 0.44 2.04 -1.78 0.37 117.51 118.42 1hjk h ILE 326 Ca 0.00 0.00 -0.05 0.00 1.00 0.00 0.00 64.86 65.81 1hjk h ILE 326 Cb 0.05 0.49 -0.03 0.00 -0.74 0.00 0.00 36.82 36.60 1hjk h ILE 326 CO 0.00 0.00 0.21 -0.78 0.00 0.00 0.00 178.15 177.58 1hjk h ASP 327 N -0.49 0.94 -0.70 1.72 1.82 -1.47 -0.46 116.42 117.78 1hjk h ASP 327 Ca 0.00 -0.20 -0.04 0.00 -0.39 0.00 0.00 57.03 56.39 1hjk h ASP 327 Cb 0.47 -0.25 -0.03 0.00 0.68 0.00 0.00 39.33 40.20 1hjk h ASP 327 CO -0.06 0.89 0.27 0.11 -1.61 0.00 0.00 179.24 178.83 1hjk h LYS 328 N 0.94 1.06 -0.06 0.28 1.57 -1.61 -2.10 116.57 116.65 1hjk h LYS 328 Ca 0.21 -0.20 -0.20 0.00 -1.87 0.00 0.00 60.65 58.60 1hjk h LYS 328 Cb 0.28 -0.17 -0.00 0.00 0.08 0.00 0.00 32.23 32.42 1hjk h LYS 328 CO -0.01 0.88 -0.79 1.96 -0.57 0.00 0.00 179.45 180.92 1hjk h GLN 329 N 1.01 0.41 0.60 3.15 1.08 0.01 -2.98 115.11 118.38 1hjk h GLN 329 Ca 0.23 -0.36 -0.02 0.00 -1.45 0.00 0.00 58.65 57.05 1hjk h GLN 329 Cb 0.23 0.08 -0.01 0.00 -0.05 0.00 0.00 27.48 27.73 1hjk h GLN 329 CO -0.02 1.01 -0.45 0.22 -0.95 0.00 0.00 178.83 178.65 1hjk h ASP 330 N 0.26 -1.17 0.10 1.46 1.82 -0.92 -0.50 116.42 117.47 1hjk h ASP 330 Ca -0.04 0.08 -0.01 0.00 -0.39 0.00 0.00 57.03 56.67 1hjk h ASP 330 Cb 1.38 0.36 -0.00 0.00 0.68 0.00 0.00 39.33 41.76 1hjk h ASP 330 CO 0.14 -0.65 -0.04 0.06 -1.61 0.00 0.00 179.24 177.14 1hjk h GLN 331 N -1.01 0.00 0.00 0.28 3.07 -1.49 -0.19 115.11 115.77 1hjk h GLN 331 Ca -0.07 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.67 1hjk h GLN 331 Cb 0.84 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.40 1hjk h GLN 331 CO 0.02 0.04 0.00 0.00 0.09 0.00 0.00 178.83 178.98 1hjk n ALA 332 N -2.32 1.79 -2.96 0.06 0.00 -0.30 -1.74 120.51 115.04 1hjk n ALA 332 Ca -0.03 -0.03 -0.14 0.00 0.00 0.00 0.00 53.44 53.24 1hjk n ALA 332 Cb 0.12 -1.31 0.04 0.00 0.00 0.00 0.00 19.45 18.30 1hjk n ALA 332 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1hjk n ALA 333 N -1.56 -0.70 -3.79 0.00 0.00 -0.08 -4.82 120.51 109.56 1hjk n ALA 333 Ca 0.04 0.22 -0.34 0.00 0.00 0.00 0.00 53.44 53.36 1hjk n ALA 333 Cb 0.22 -3.11 -0.11 0.00 0.00 0.00 0.00 19.45 16.45 1hjk n ALA 333 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 1hjk s ASN 334 N -3.02 5.03 0.17 0.00 3.84 -0.86 0.73 114.94 120.84 1hjk s ASN 334 Ca 0.28 -3.13 -0.22 0.00 0.21 0.00 0.00 52.86 49.99 1hjk s ASN 334 Cb -0.12 -1.78 0.08 0.00 -0.55 0.00 0.00 41.25 38.88 1hjk s ASN 334 CO 0.34 -0.27 1.60 -0.65 -2.79 0.00 0.00 177.10 175.33 1hjk h PRO 335 N 6.56 -0.21 -0.58 0.43 0.11 -1.86 -0.96 132.00 135.49 1hjk h PRO 335 Ca 0.01 0.01 0.04 0.00 0.11 0.00 0.00 66.00 66.17 1hjk h PRO 335 Cb 0.89 0.05 -0.04 0.00 0.11 0.00 0.00 31.00 32.01 1hjk h PRO 335 CO 0.72 -0.14 0.33 0.00 -0.21 0.00 0.00 178.00 178.71 1hjk h GLY 337 N 0.65 0.53 0.21 0.00 0.00 -1.52 -1.65 103.07 101.29 1hjk h GLY 337 Ca 0.24 -0.22 -0.01 0.00 0.00 0.00 0.00 47.33 47.35 1hjk h GLY 337 CO -0.13 0.21 -0.17 -1.61 0.00 0.00 0.00 176.54 174.85 1hjk h GLN 338 N 0.49 -0.35 -0.99 4.80 4.15 -0.52 -2.25 115.11 120.43 1hjk h GLN 338 Ca 0.13 0.02 0.22 0.00 0.77 0.00 0.00 58.65 59.79 1hjk h GLN 338 Cb -0.01 0.08 -0.12 0.00 0.21 0.00 0.00 27.48 27.65 1hjk h GLN 338 CO -0.03 -0.24 0.59 0.82 -1.93 0.00 0.00 178.83 178.05 1hjk h ILE 339 N -0.37 0.62 -0.01 2.39 2.04 -0.59 -2.23 117.51 119.36 1hjk h ILE 339 Ca -0.03 -0.23 -0.00 0.00 1.00 0.00 0.00 64.86 65.60 1hjk h ILE 339 Cb 0.31 -0.10 -0.00 0.00 -0.74 0.00 0.00 36.82 36.28 1hjk h ILE 339 CO 0.01 0.12 0.01 1.23 0.00 0.00 0.00 178.15 179.51 1hjk h GLY 340 N 0.66 0.02 0.93 5.37 0.00 -1.17 -1.98 103.07 106.90 1hjk h GLY 340 Ca 0.61 -0.01 0.13 0.00 0.00 0.00 0.00 47.33 48.06 1hjk h GLY 340 CO -0.43 0.01 0.41 0.83 0.00 0.00 0.00 176.54 177.36 1hjk h GLU 341 N -0.11 0.25 -0.15 4.80 4.39 -0.81 0.19 114.58 123.14 1hjk h GLU 341 Ca 0.00 -0.01 -0.07 0.00 0.34 0.00 0.00 59.36 59.62 1hjk h GLU 341 Cb 0.13 -0.06 -0.00 0.00 -0.10 0.00 0.00 28.75 28.72 1hjk h GLU 341 CO -0.00 0.16 -0.16 1.15 -1.16 0.00 0.00 179.01 179.00 1hjk h THR 342 N 0.26 1.35 -0.56 1.13 2.02 -1.04 -2.25 112.91 113.82 1hjk h THR 342 Ca 0.29 -1.33 0.11 0.00 0.77 0.00 0.00 66.41 66.25 1hjk h THR 342 Cb 0.78 1.87 -0.09 0.00 -1.74 0.00 0.00 68.15 68.97 1hjk h THR 342 CO -0.06 0.39 -0.01 0.58 0.37 0.00 0.00 175.52 176.80 1hjk h VAL 343 N 0.01 0.55 -0.74 3.16 2.07 -0.73 -0.24 116.25 120.33 1hjk h VAL 343 Ca 0.02 -0.04 0.11 0.00 0.82 0.00 0.00 66.70 67.61 1hjk h VAL 343 Cb 0.70 0.43 -0.08 0.00 -1.52 0.00 0.00 31.29 30.82 1hjk h VAL 343 CO 0.04 0.02 0.35 -0.78 0.02 0.00 0.00 177.57 177.23 1hjk h ASP 344 N 0.11 0.44 1.18 0.57 3.58 -0.59 -0.70 116.42 121.01 1hjk h ASP 344 Ca 0.28 0.07 -0.05 0.00 0.42 0.00 0.00 57.03 57.75 1hjk h ASP 344 Cb 0.44 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.49 1hjk h ASP 344 CO -0.48 0.23 -0.26 0.25 -2.88 0.00 0.00 179.24 176.11 1hjk h LEU 345 N 0.58 0.00 -0.83 2.28 5.85 -0.48 -3.01 115.31 119.70 1hjk h LEU 345 Ca 0.37 0.00 -0.08 0.00 0.84 0.00 0.00 57.88 59.02 1hjk h LEU 345 Cb 0.44 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.45 1hjk h LEU 345 CO -0.30 0.26 0.04 -0.78 -0.34 0.00 0.00 178.44 177.32 1hjk h ASP 346 N 0.00 0.88 -0.50 1.25 3.58 0.34 0.18 116.42 122.15 1hjk h ASP 346 Ca -0.00 -0.21 -0.08 0.00 0.42 0.00 0.00 57.03 57.15 1hjk h ASP 346 Cb 0.92 -0.23 -0.02 0.00 1.72 0.00 0.00 39.33 41.72 1hjk h ASP 346 CO 0.03 0.92 -0.01 -0.33 -2.88 0.00 0.00 179.24 176.98 1hjk h GLU 347 N 0.86 0.88 -0.39 0.28 5.08 -1.32 -1.04 114.58 118.94 1hjk h GLU 347 Ca 0.17 -0.28 -0.04 0.00 -1.00 0.00 0.00 59.36 58.20 1hjk h GLU 347 Cb 0.45 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.60 1hjk h GLU 347 CO 0.02 0.92 0.08 0.00 -1.00 0.00 0.00 179.01 179.03 1hjk h ALA 348 N 0.93 0.52 -0.58 3.43 0.00 -1.34 -1.77 119.26 120.44 1hjk h ALA 348 Ca 0.14 -0.20 0.06 0.00 0.00 0.00 0.00 54.91 54.91 1hjk h ALA 348 Cb 0.53 -0.15 -0.05 0.00 0.00 0.00 0.00 17.79 18.12 1hjk h ALA 348 CO 0.03 0.20 0.30 0.28 0.00 0.00 0.00 179.25 180.06 1hjk h VAL 349 N 0.49 0.94 -0.47 0.00 2.07 -0.43 -1.81 116.25 117.03 1hjk h VAL 349 Ca 0.12 -0.19 0.05 0.00 0.82 0.00 0.00 66.70 67.50 1hjk h VAL 349 Cb 0.33 0.33 -0.05 0.00 -1.52 0.00 0.00 31.29 30.38 1hjk h VAL 349 CO 0.00 0.10 0.21 1.56 0.02 0.00 0.00 177.57 179.47 1hjk h GLN 350 N 0.57 0.41 0.19 1.57 4.20 -0.94 0.30 115.11 121.41 1hjk h GLN 350 Ca 0.26 -0.02 0.00 0.00 0.06 0.00 0.00 58.65 58.95 1hjk h GLN 350 Cb 0.18 -0.09 -0.02 0.00 0.30 0.00 0.00 27.48 27.85 1hjk h GLN 350 CO -0.18 0.27 -0.19 0.00 -0.67 0.00 0.00 178.83 178.06 1hjk h ARG 351 N 0.42 -0.40 -0.73 1.46 2.47 -0.92 -0.85 114.38 115.83 1hjk h ARG 351 Ca 0.21 0.03 0.14 0.00 -1.26 0.00 0.00 59.98 59.11 1hjk h ARG 351 Cb 0.16 0.09 -0.10 0.00 -1.65 0.00 0.00 29.97 28.48 1hjk h ARG 351 CO -0.18 -0.27 0.25 0.00 0.56 0.00 0.00 179.97 180.34 1hjk h ALA 352 N 0.34 1.00 -0.40 0.04 0.00 -0.60 0.12 119.26 119.75 1hjk h ALA 352 Ca 0.00 0.13 -0.08 0.00 0.00 0.00 0.00 54.91 54.97 1hjk h ALA 352 Cb 0.39 0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.29 1hjk h ALA 352 CO -0.05 -0.26 -0.06 -0.07 0.00 0.00 0.00 179.25 178.81 1hjk h LEU 353 N 0.38 0.65 -0.24 0.00 3.38 -0.12 -1.77 115.31 117.59 1hjk h LEU 353 Ca 0.41 -0.17 -0.00 0.00 0.09 0.00 0.00 57.88 58.20 1hjk h LEU 353 Cb 0.64 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.20 1hjk h LEU 353 CO -0.43 0.77 0.13 -0.08 0.09 0.00 0.00 178.44 178.92 1hjk h GLU 354 N 0.63 0.34 0.81 1.13 4.81 0.69 0.21 114.58 123.19 1hjk h GLU 354 Ca 0.12 -0.04 -0.04 0.00 -0.13 0.00 0.00 59.36 59.27 1hjk h GLU 354 Cb 0.49 -0.07 0.01 0.00 0.63 0.00 0.00 28.75 29.81 1hjk h GLU 354 CO 0.03 0.30 -0.39 0.35 -0.73 0.00 0.00 179.01 178.57 1hjk h PHE 355 N 0.28 -1.01 -0.92 0.92 3.57 -1.33 -3.02 116.94 115.43 1hjk h PHE 355 Ca 0.08 -0.02 0.21 0.00 3.53 0.00 0.00 57.97 61.77 1hjk h PHE 355 Cb 0.07 0.33 -0.12 0.00 2.79 0.00 0.00 35.95 39.02 1hjk h PHE 355 CO -0.04 -0.63 0.47 0.00 -2.23 0.00 0.00 178.31 175.89 1hjk h ALA 356 N -1.33 1.51 -0.60 2.41 0.00 -1.26 0.21 119.26 120.20 1hjk h ALA 356 Ca -0.11 0.13 0.07 0.00 0.00 0.00 0.00 54.91 55.00 1hjk h ALA 356 Cb 0.83 0.06 -0.06 0.00 0.00 0.00 0.00 17.79 18.63 1hjk h ALA 356 CO 0.18 -0.25 0.29 -0.22 0.00 0.00 0.00 179.25 179.25 1hjk h LYS 357 N 0.52 0.52 0.07 0.00 3.64 -0.54 -2.07 116.57 118.71 1hjk h LYS 357 Ca 0.56 -0.03 -0.33 0.00 -1.27 0.00 0.00 60.65 59.58 1hjk h LYS 357 Cb 1.00 -0.12 -0.03 0.00 -0.41 0.00 0.00 32.23 32.67 1hjk h LYS 357 CO -0.47 0.34 -1.86 0.36 -2.27 0.00 0.00 179.45 175.55 1hjk n LYS 358 N -4.89 0.71 0.02 1.90 2.85 0.29 -4.06 118.16 114.98 1hjk n LYS 358 Ca 0.07 0.28 -0.10 0.00 -1.05 0.00 0.00 58.31 57.51 1hjk n LYS 358 Cb 0.20 -1.75 -0.04 0.00 -0.65 0.00 0.00 35.03 32.78 1hjk n LYS 358 CO 0.00 0.00 0.00 1.49 -0.05 0.00 0.00 177.40 178.84 1hjk h GLU 359 N 0.04 -0.11 0.00 -1.58 4.22 -0.73 -3.47 114.58 112.95 1hjk h GLU 359 Ca -0.36 0.01 0.00 0.00 0.08 0.00 0.00 59.36 59.09 1hjk h GLU 359 Cb 2.03 0.03 0.00 0.00 0.50 0.00 0.00 28.75 31.30 1hjk h GLU 359 CO 0.09 -0.08 0.00 0.41 -2.18 0.00 0.00 179.01 177.25 1hjk n GLY 360 N -1.22 0.08 2.66 1.92 0.00 -0.78 -4.90 105.19 102.95 1hjk n GLY 360 Ca -0.04 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.90 1hjk n GLY 360 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1hjk n ASN 361 N 0.00 2.15 -4.17 1.61 3.02 -1.26 -4.87 115.26 111.74 1hjk n ASN 361 Ca 0.00 -2.54 -0.30 0.00 -0.03 0.00 0.00 54.58 51.71 1hjk n ASN 361 Cb 0.00 -0.48 -0.17 0.00 -0.61 0.00 0.00 39.78 38.53 1hjk n ASN 361 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 1hjk s THR 362 N -3.83 1.82 -0.29 3.41 2.01 -1.26 -0.05 115.64 117.45 1hjk s THR 362 Ca 0.31 -0.88 -0.16 0.00 0.31 0.00 0.00 61.69 61.27 1hjk s THR 362 Cb 0.38 -1.58 -0.03 0.00 0.01 0.00 0.00 72.50 71.28 1hjk s THR 362 CO -0.02 0.51 0.43 -0.22 -0.69 0.00 0.00 174.62 174.63 1hjk s LEU 363 N 0.38 4.13 -0.13 4.42 2.96 -0.93 -4.27 118.68 125.23 1hjk s LEU 363 Ca -0.17 0.25 -0.04 0.00 -0.22 0.00 0.00 54.13 53.95 1hjk s LEU 363 Cb -0.17 -2.50 -0.03 0.00 0.50 0.00 0.00 46.19 43.98 1hjk s LEU 363 CO 0.07 -0.27 0.01 -0.69 -1.32 0.00 0.00 176.35 174.16 1hjk s VAL 364 N 2.18 4.39 0.01 1.68 1.01 0.19 -1.85 120.40 128.00 1hjk s VAL 364 Ca 0.17 -0.19 0.04 0.00 0.00 0.00 0.00 61.98 62.00 1hjk s VAL 364 Cb -0.16 -2.91 -0.01 0.00 0.00 0.00 0.00 36.38 33.30 1hjk s VAL 364 CO 0.10 0.53 -0.14 -0.63 0.00 0.00 0.00 175.10 174.97 1hjk s ILE 365 N -0.18 1.10 -0.04 2.22 1.01 -0.76 -0.51 121.20 124.05 1hjk s ILE 365 Ca 0.06 -0.72 -0.01 0.00 0.00 0.00 0.00 60.65 59.97 1hjk s ILE 365 Cb -0.12 -0.95 0.03 0.00 0.01 0.00 0.00 42.46 41.43 1hjk s ILE 365 CO 0.02 0.21 0.03 -0.69 0.00 0.00 0.00 174.94 174.51 1hjk s VAL 366 N -0.49 0.04 0.00 2.92 1.01 0.96 -0.53 120.40 124.30 1hjk s VAL 366 Ca 0.04 0.26 0.00 0.00 0.00 0.00 0.00 61.98 62.29 1hjk s VAL 366 Cb -0.06 -0.22 0.00 0.00 0.00 0.00 0.00 36.38 36.09 1hjk s VAL 366 CO 0.00 0.17 0.00 1.07 0.00 0.00 0.00 175.10 176.34 1hjk n THR 367 N 4.80 0.00 -4.40 3.92 5.66 -0.67 -1.89 114.28 121.70 1hjk n THR 367 Ca -0.14 0.00 -0.20 0.00 -3.05 0.00 0.00 64.05 60.66 1hjk n THR 367 Cb 0.50 0.00 -0.10 0.00 -1.55 0.00 0.00 70.33 69.18 1hjk n THR 367 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1hjk s ALA 368 N -1.00 2.18 -0.06 1.79 0.00 -1.26 0.02 121.76 123.44 1hjk s ALA 368 Ca 0.00 -1.87 0.13 0.00 0.00 0.00 0.00 51.96 50.22 1hjk s ALA 368 Cb 0.00 0.31 -0.11 0.00 0.00 0.00 0.00 23.12 23.32 1hjk s ALA 368 CO 0.00 -0.14 1.10 0.38 0.00 0.00 0.00 175.76 177.09 1hjk h ASP 369 N 2.33 0.00 -4.93 0.00 2.03 -1.93 -3.48 116.42 110.44 1hjk h ASP 369 Ca -0.39 0.00 0.16 0.00 -0.73 0.00 0.00 57.03 56.07 1hjk h ASP 369 Cb 1.23 0.00 -0.13 0.00 -0.83 0.00 0.00 39.33 39.60 1hjk h ASP 369 CO 0.67 0.74 0.54 -1.38 -1.03 0.00 0.00 179.24 178.78 1hjk s HIS 370 N -2.82 -0.23 0.86 4.15 -3.43 -1.26 -4.86 115.29 107.70 1hjk s HIS 370 Ca -0.00 0.05 -0.12 0.00 -0.80 0.00 0.00 55.06 54.19 1hjk s HIS 370 Cb 0.09 0.57 0.11 0.00 -1.43 0.00 0.00 32.58 31.92 1hjk s HIS 370 CO 0.80 -0.59 1.15 0.00 -2.00 0.00 0.00 174.74 174.10 1hjk s ALA 371 N -3.06 2.14 0.00 -1.38 0.00 -1.24 -3.73 121.76 114.48 1hjk s ALA 371 Ca 0.08 -0.55 0.00 0.00 0.00 0.00 0.00 51.96 51.49 1hjk s ALA 371 Cb -0.01 -3.01 0.00 0.00 0.00 0.00 0.00 23.12 20.10 1hjk s ALA 371 CO -0.04 -2.01 0.00 1.58 0.00 0.00 0.00 175.76 175.28 1hjk n HIS 372 N -3.57 0.00 0.07 0.00 -0.00 -1.25 -2.06 115.22 108.41 1hjk n HIS 372 Ca 0.07 0.00 -0.21 0.00 0.46 0.00 0.00 57.72 58.04 1hjk n HIS 372 Cb 0.60 0.00 -0.14 0.00 -0.12 0.00 0.00 29.99 30.33 1hjk n HIS 372 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 1hjk h ALA 373 N 1.00 -0.06 -2.33 1.57 0.00 -1.85 -3.36 119.26 114.23 1hjk h ALA 373 Ca 0.00 -0.72 -0.58 0.00 0.00 0.00 0.00 54.91 53.61 1hjk h ALA 373 Cb 0.00 0.10 0.08 0.00 0.00 0.00 0.00 17.79 17.98 1hjk h ALA 373 CO 0.00 0.49 0.60 -1.13 0.00 0.00 0.00 179.25 179.21 1hjk n SER 374 N -4.00 2.73 -4.08 0.00 3.41 -1.26 -4.72 113.62 105.70 1hjk n SER 374 Ca -0.14 1.15 -0.20 0.00 -0.26 0.00 0.00 58.87 59.42 1hjk n SER 374 Cb 0.88 -1.43 -0.14 0.00 -0.26 0.00 0.00 64.21 63.26 1hjk n SER 374 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 1hjk s GLN 375 N -0.50 0.92 -0.32 4.33 -0.21 -0.15 -4.67 119.66 119.04 1hjk s GLN 375 Ca 0.67 -0.48 -0.21 0.00 0.02 0.00 0.00 55.36 55.36 1hjk s GLN 375 Cb -0.65 -0.89 -0.00 0.00 1.00 0.00 0.00 33.01 32.47 1hjk s GLN 375 CO 0.50 0.24 0.67 0.42 -2.12 0.00 0.00 175.29 175.00 1hjk s ILE 376 N -0.41 4.88 0.44 1.08 1.01 -1.26 -0.83 121.20 126.11 1hjk s ILE 376 Ca 0.03 0.84 0.04 0.00 0.00 0.00 0.00 60.65 61.57 1hjk s ILE 376 Cb -0.05 -4.06 -0.05 0.00 0.01 0.00 0.00 42.46 38.31 1hjk s ILE 376 CO -0.00 -0.23 0.02 0.68 0.00 0.00 0.00 174.94 175.41 1hjk s VAL 377 N 2.74 1.47 0.59 2.92 -7.23 -0.55 -4.99 120.40 115.34 1hjk s VAL 377 Ca 0.27 -2.00 -0.20 0.00 -1.81 0.00 0.00 61.98 58.24 1hjk s VAL 377 Cb -0.14 -2.61 -0.03 0.00 0.56 0.00 0.00 36.38 34.15 1hjk s VAL 377 CO 0.13 0.00 1.30 0.00 -0.31 0.00 0.00 175.10 176.22 1hjk s ALA 378 N -2.89 2.60 0.54 1.32 0.00 -1.26 -3.60 121.76 118.48 1hjk s ALA 378 Ca 0.24 1.21 0.32 0.00 0.00 0.00 0.00 51.96 53.72 1hjk s ALA 378 Cb 0.06 -3.53 1.82 0.00 0.00 0.00 0.00 23.12 21.47 1hjk s ALA 378 CO 0.12 -1.39 2.22 -1.35 0.00 0.00 0.00 175.76 175.36 1hjk h PRO 379 N 1.03 0.00 -0.62 0.00 0.11 -1.93 -1.93 132.00 128.66 1hjk h PRO 379 Ca -0.51 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.60 1hjk h PRO 379 Cb 1.31 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.42 1hjk h PRO 379 CO 0.55 0.03 0.00 -0.40 -0.21 0.00 0.00 178.00 177.98 1hjk n ASP 380 N -3.63 3.63 -4.75 -2.05 5.75 -1.26 -4.84 116.55 109.40 1hjk n ASP 380 Ca -0.03 -2.20 -0.41 0.00 -0.01 0.00 0.00 54.79 52.14 1hjk n ASP 380 Cb 0.13 -0.47 -0.02 0.00 -1.03 0.00 0.00 41.12 39.73 1hjk n ASP 380 CO 0.00 0.00 0.00 -0.89 -0.11 0.00 0.00 177.20 176.20 1hjk s THR 381 N -1.53 2.69 -0.41 2.12 2.01 -0.73 -4.99 115.64 114.80 1hjk s THR 381 Ca 0.41 0.60 -0.10 0.00 0.31 0.00 0.00 61.69 62.92 1hjk s THR 381 Cb 0.24 -3.39 0.07 0.00 0.01 0.00 0.00 72.50 69.43 1hjk s THR 381 CO 0.23 0.11 0.25 -0.54 -0.69 0.00 0.00 174.62 173.98 1hjk s LYS 382 N -0.65 2.66 0.25 4.92 -0.14 -1.26 -4.84 119.74 120.69 1hjk s LYS 382 Ca 0.57 -1.38 0.11 0.00 -1.36 0.00 0.00 55.97 53.92 1hjk s LYS 382 Cb -0.41 -3.78 -0.05 0.00 -1.68 0.00 0.00 37.83 31.91 1hjk s LYS 382 CO 0.45 -0.90 -0.19 0.00 -0.76 0.00 0.00 175.35 173.95 1hjk s ALA 383 N 1.46 2.75 0.25 5.17 0.00 -1.26 -5.02 121.76 125.10 1hjk s ALA 383 Ca 0.03 -1.78 0.07 0.00 0.00 0.00 0.00 51.96 50.27 1hjk s ALA 383 Cb -0.22 -0.35 0.30 0.00 0.00 0.00 0.00 23.12 22.85 1hjk s ALA 383 CO 0.03 0.32 1.58 -1.35 0.00 0.00 0.00 175.76 176.35 1hjk h PRO 384 N 2.49 0.15 0.00 0.00 0.11 -1.97 -3.42 132.00 129.36 1hjk h PRO 384 Ca -0.42 -0.10 0.00 0.00 0.11 0.00 0.00 66.00 65.59 1hjk h PRO 384 Cb 1.24 0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.37 1hjk h PRO 384 CO 0.57 0.71 0.00 0.41 -0.21 0.00 0.00 178.00 179.47 1hjk n GLY 385 N 0.24 1.36 3.49 -0.55 0.00 -1.26 -4.97 105.19 103.51 1hjk n GLY 385 Ca -0.02 -1.29 -0.34 0.00 0.00 0.00 0.00 46.02 44.37 1hjk n GLY 385 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1hjk s LEU 386 N 0.00 3.32 0.18 0.99 1.43 -1.06 -3.68 118.68 119.86 1hjk s LEU 386 Ca 0.00 -0.13 0.02 0.00 -1.03 0.00 0.00 54.13 52.99 1hjk s LEU 386 Cb 0.00 -1.82 -0.05 0.00 0.03 0.00 0.00 46.19 44.35 1hjk s LEU 386 CO 0.00 0.13 -0.01 0.42 0.23 0.00 0.00 176.35 177.12 1hjk s THR 387 N 0.62 0.78 -0.17 5.49 -4.23 0.27 -1.20 115.64 117.21 1hjk s THR 387 Ca -0.01 -2.00 -0.27 0.00 -1.18 0.00 0.00 61.69 58.24 1hjk s THR 387 Cb -0.14 -2.13 0.07 0.00 1.34 0.00 0.00 72.50 71.64 1hjk s THR 387 CO 0.02 -0.48 0.68 -1.58 -0.54 0.00 0.00 174.62 172.72 1hjk s GLN 388 N -3.89 0.91 -0.19 3.99 0.74 -0.75 -0.89 119.66 119.58 1hjk s GLN 388 Ca 0.24 0.65 -0.07 0.00 0.05 0.00 0.00 55.36 56.24 1hjk s GLN 388 Cb 0.06 0.44 -0.04 0.00 1.10 0.00 0.00 33.01 34.57 1hjk s GLN 388 CO 0.04 -0.19 0.04 0.00 -0.55 0.00 0.00 175.29 174.63 1hjk s ALA 389 N -0.30 3.27 0.00 1.58 0.00 -1.26 -0.52 121.76 124.54 1hjk s ALA 389 Ca -0.05 -0.82 0.06 0.00 0.00 0.00 0.00 51.96 51.15 1hjk s ALA 389 Cb -0.03 -1.86 -0.03 0.00 0.00 0.00 0.00 23.12 21.20 1hjk s ALA 389 CO 0.05 0.08 -0.16 -0.51 0.00 0.00 0.00 175.76 175.22 1hjk s LEU 390 N 0.56 2.66 -0.42 0.00 1.43 0.03 -0.38 118.68 122.56 1hjk s LEU 390 Ca 0.02 -0.32 -0.24 0.00 -1.03 0.00 0.00 54.13 52.56 1hjk s LEU 390 Cb -0.13 -1.55 0.02 0.00 0.03 0.00 0.00 46.19 44.56 1hjk s LEU 390 CO 0.02 0.30 0.85 0.20 0.23 0.00 0.00 176.35 177.95 1hjk s ASN 391 N -1.12 6.52 0.92 2.29 0.02 -0.28 -0.64 114.94 122.65 1hjk s ASN 391 Ca 0.13 0.19 -0.10 0.00 -1.02 0.00 0.00 52.86 52.06 1hjk s ASN 391 Cb -0.11 -2.42 0.16 0.00 0.02 0.00 0.00 41.25 38.90 1hjk s ASN 391 CO 0.03 -0.91 0.99 0.35 0.02 0.00 0.00 177.10 177.59 1hjk n THR 392 N 6.13 0.00 0.24 1.60 -2.24 -0.31 -4.86 114.28 114.83 1hjk n THR 392 Ca 0.05 -0.88 0.10 0.00 -2.27 0.00 0.00 64.05 61.05 1hjk n THR 392 Cb 0.48 -1.47 0.57 0.00 -2.10 0.00 0.00 70.33 67.81 1hjk n THR 392 CO 0.00 0.00 0.00 0.50 -0.57 0.00 0.00 175.07 175.00 1hjk h LYS 393 N 0.00 0.00 0.00 -0.78 3.64 -1.20 -0.08 116.57 118.16 1hjk h LYS 393 Ca -0.32 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.06 1hjk h LYS 393 Cb 0.94 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.76 1hjk h LYS 393 CO 0.25 0.20 0.00 -0.25 -2.27 0.00 0.00 179.45 177.38 1hjk n ASP 394 N -3.58 0.00 -1.81 4.20 8.00 -1.26 -4.89 116.55 117.21 1hjk n ASP 394 Ca -0.01 -1.21 -0.17 0.00 0.71 0.00 0.00 54.79 54.11 1hjk n ASP 394 Cb 0.34 0.00 -0.02 0.00 -0.02 0.00 0.00 41.12 41.42 1hjk n ASP 394 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1hjk n GLY 395 N 0.80 0.05 3.27 0.44 0.00 -0.04 -5.01 105.19 104.70 1hjk n GLY 395 Ca 0.17 -0.18 -0.20 0.00 0.00 0.00 0.00 46.02 45.81 1hjk n GLY 395 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1hjk s ALA 396 N -2.80 1.69 0.39 4.61 0.00 -1.26 -4.89 121.76 119.50 1hjk s ALA 396 Ca 0.00 -1.34 -0.10 0.00 0.00 0.00 0.00 51.96 50.52 1hjk s ALA 396 Cb 0.00 -0.13 -0.06 0.00 0.00 0.00 0.00 23.12 22.93 1hjk s ALA 396 CO 0.00 0.18 0.74 0.14 0.00 0.00 0.00 175.76 176.82 1hjk s VAL 397 N -1.96 4.82 -0.04 0.00 -7.23 -1.26 -1.16 120.40 113.57 1hjk s VAL 397 Ca 0.10 0.54 0.03 0.00 -1.81 0.00 0.00 61.98 60.84 1hjk s VAL 397 Cb -0.06 -3.74 0.00 0.00 0.56 0.00 0.00 36.38 33.15 1hjk s VAL 397 CO 0.04 -0.50 -0.13 -0.32 -0.31 0.00 0.00 175.10 173.88 1hjk s MET 398 N -3.83 1.40 -0.19 4.82 0.00 0.18 -4.90 119.30 116.78 1hjk s MET 398 Ca 0.50 -0.44 -0.08 0.00 0.00 0.00 0.00 55.69 55.67 1hjk s MET 398 Cb -0.10 -1.24 -0.04 0.00 0.00 0.00 0.00 34.83 33.44 1hjk s MET 398 CO 0.31 0.15 0.08 0.08 0.00 0.00 0.00 175.02 175.65 1hjk s VAL 399 N 0.21 4.94 -0.14 10.11 1.01 -1.24 -0.79 120.40 134.50 1hjk s VAL 399 Ca -0.05 0.02 -0.03 0.00 0.00 0.00 0.00 61.98 61.93 1hjk s VAL 399 Cb -0.11 -3.24 -0.03 0.00 0.00 0.00 0.00 36.38 33.00 1hjk s VAL 399 CO 0.02 0.44 -0.05 -0.04 0.00 0.00 0.00 175.10 175.47 1hjk s MET 400 N 0.47 3.50 0.02 2.72 -1.94 0.33 -1.48 119.30 122.91 1hjk s MET 400 Ca 0.05 -0.54 0.07 0.00 -1.71 0.00 0.00 55.69 53.56 1hjk s MET 400 Cb -0.12 -2.83 -0.02 0.00 2.01 0.00 0.00 34.83 33.86 1hjk s MET 400 CO 0.00 0.31 -0.22 0.45 -0.01 0.00 0.00 175.02 175.56 1hjk s SER 401 N 0.16 2.57 -0.28 3.03 0.15 -0.01 -1.81 113.70 117.51 1hjk s SER 401 Ca -0.02 -0.49 -0.02 0.00 0.70 0.00 0.00 55.95 56.12 1hjk s SER 401 Cb -0.14 -0.24 0.09 0.00 -1.71 0.00 0.00 66.02 64.02 1hjk s SER 401 CO 0.03 0.21 0.10 -0.31 1.20 0.00 0.00 173.24 174.47 1hjk s TYR 402 N -0.70 1.12 -0.28 3.44 1.51 -0.34 -0.98 117.35 121.12 1hjk s TYR 402 Ca 0.08 -1.30 0.18 0.00 -1.01 0.00 0.00 57.07 55.02 1hjk s TYR 402 Cb -0.09 -1.33 0.49 0.00 -0.11 0.00 0.00 41.96 40.92 1hjk s TYR 402 CO 0.01 -0.82 1.12 0.41 -1.11 0.00 0.00 175.55 175.16 1hjk n GLY 403 N 5.02 3.15 0.27 0.71 0.00 -1.26 -2.58 105.19 110.50 1hjk n GLY 403 Ca -0.04 -1.57 0.06 0.00 0.00 0.00 0.00 46.02 44.46 1hjk n GLY 403 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1hjk n ASN 404 N -0.58 2.57 -3.64 1.61 0.23 -1.26 -4.78 115.26 109.40 1hjk n ASN 404 Ca 0.18 -2.52 -0.04 0.00 -0.53 0.00 0.00 54.58 51.68 1hjk n ASN 404 Cb 0.84 -0.26 -0.05 0.00 -2.08 0.00 0.00 39.78 38.22 1hjk n ASN 404 CO 0.00 0.00 0.00 -0.55 -0.93 0.00 0.00 177.26 175.78 1hjk s SER 405 N -1.76 -1.04 0.22 0.53 0.15 -1.26 -4.56 113.70 105.98 1hjk s SER 405 Ca 0.21 1.54 0.11 0.00 0.70 0.00 0.00 55.95 58.51 1hjk s SER 405 Cb 0.17 1.84 0.06 0.00 -1.71 0.00 0.00 66.02 66.38 1hjk s SER 405 CO 0.05 -0.23 1.43 -0.33 1.20 0.00 0.00 173.24 175.36 1hjk h GLU 406 N 7.49 0.00 0.00 5.44 5.08 -1.93 -3.45 114.58 127.21 1hjk h GLU 406 Ca -0.24 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.12 1hjk h GLU 406 Cb 1.16 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.41 1hjk h GLU 406 CO 0.13 0.71 0.00 0.39 -1.00 0.00 0.00 179.01 179.24 1hjk n GLU 407 N -3.39 -1.78 -0.07 2.33 4.71 -1.26 -4.90 120.64 116.28 1hjk n GLU 407 Ca 0.00 0.00 -0.11 0.00 -0.01 0.00 0.00 57.16 57.04 1hjk n GLU 407 Cb 0.78 0.00 0.03 0.00 -1.01 0.00 0.00 31.44 31.24 1hjk n GLU 407 CO 0.00 0.00 0.00 -0.44 0.09 0.00 0.00 177.13 176.78 1hjk h ASP 408 N -1.87 0.84 -3.00 1.62 5.19 -1.97 -3.44 116.42 113.79 1hjk h ASP 408 Ca 0.00 -0.39 -0.67 0.00 -0.62 0.00 0.00 57.03 55.35 1hjk h ASP 408 Cb 0.00 -0.24 -0.11 0.00 0.18 0.00 0.00 39.33 39.17 1hjk h ASP 408 CO 0.00 1.14 -0.55 -0.44 -3.12 0.00 0.00 179.24 176.27 1hjk s SER 409 N -6.86 5.79 0.18 6.45 0.01 -1.26 -4.84 113.70 113.17 1hjk s SER 409 Ca -0.09 0.28 -0.27 0.00 1.31 0.00 0.00 55.95 57.18 1hjk s SER 409 Cb 0.11 -1.75 -0.08 0.00 0.21 0.00 0.00 66.02 64.51 1hjk s SER 409 CO 0.86 0.37 0.82 -1.10 0.41 0.00 0.00 173.24 174.61 1hjk s GLN 410 N -1.08 4.65 0.52 12.44 -1.52 -0.71 -4.67 119.66 129.29 1hjk s GLN 410 Ca 0.16 1.25 -0.16 0.00 -1.95 0.00 0.00 55.36 54.66 1hjk s GLN 410 Cb -0.12 -3.27 -0.08 0.00 -0.22 0.00 0.00 33.01 29.33 1hjk s GLN 410 CO 0.05 0.55 0.99 -1.21 -0.25 0.00 0.00 175.29 175.42 1hjk s GLU 411 N -1.12 3.90 0.78 2.91 0.41 -1.26 -4.39 118.70 119.94 1hjk s GLU 411 Ca 0.37 0.96 -0.11 0.00 -0.41 0.00 0.00 54.97 55.78 1hjk s GLU 411 Cb -0.24 -2.13 0.06 0.00 -1.78 0.00 0.00 34.13 30.04 1hjk s GLU 411 CO 0.28 -0.31 1.09 -1.01 -0.49 0.00 0.00 175.26 174.81 1hjk s HIS 412 N -2.64 2.81 0.42 1.61 3.76 -1.26 -2.90 115.29 117.09 1hjk s HIS 412 Ca 0.59 1.28 0.03 0.00 -0.15 0.00 0.00 55.06 56.81 1hjk s HIS 412 Cb -0.10 -3.05 -0.03 0.00 1.11 0.00 0.00 32.58 30.50 1hjk s HIS 412 CO 0.33 -1.72 0.08 0.95 -0.85 0.00 0.00 174.74 173.53 1hjk s THR 413 N -3.07 0.88 -0.14 1.30 -4.23 -0.87 -4.83 115.64 104.68 1hjk s THR 413 Ca 0.60 -2.00 0.17 0.00 -1.18 0.00 0.00 61.69 59.29 1hjk s THR 413 Cb -0.15 -2.39 0.31 0.00 1.34 0.00 0.00 72.50 71.61 1hjk s THR 413 CO 0.55 0.00 1.19 0.61 -0.54 0.00 0.00 174.62 176.43 1hjk n GLY 414 N -0.97 4.60 3.84 3.99 0.00 -1.26 -3.64 105.19 111.74 1hjk n GLY 414 Ca -0.09 -1.04 -0.32 0.00 0.00 0.00 0.00 46.02 44.57 1hjk n GLY 414 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1hjk s SER 415 N -2.58 6.38 0.82 1.61 1.04 -1.26 -4.88 113.70 114.83 1hjk s SER 415 Ca 0.32 1.59 -0.13 0.00 0.48 0.00 0.00 55.95 58.21 1hjk s SER 415 Cb 0.27 -2.51 0.09 0.00 0.10 0.00 0.00 66.02 63.97 1hjk s SER 415 CO 0.04 -0.75 1.17 0.00 0.98 0.00 0.00 173.24 174.67 1hjk n GLN 416 N -1.87 0.11 -4.23 4.02 10.64 -1.26 -4.33 117.38 120.45 1hjk n GLN 416 Ca 0.07 0.11 -0.14 0.00 -1.83 0.00 0.00 57.00 55.21 1hjk n GLN 416 Cb 0.54 -2.41 -0.09 0.00 -0.86 0.00 0.00 30.24 27.41 1hjk n GLN 416 CO 0.00 0.00 0.00 -0.48 -1.83 0.00 0.00 177.06 174.75 1hjk s LEU 417 N -5.56 1.35 0.47 2.61 0.05 -1.10 -4.88 118.68 111.63 1hjk s LEU 417 Ca 0.72 -1.51 -0.25 0.00 0.05 0.00 0.00 54.13 53.14 1hjk s LEU 417 Cb -0.29 0.44 -0.08 0.00 -2.05 0.00 0.00 46.19 44.21 1hjk s LEU 417 CO 0.52 -0.91 1.42 -1.14 -0.55 0.00 0.00 176.35 175.68 1hjk n ARG 418 N -0.39 2.14 -4.10 1.48 0.63 -1.26 -1.79 116.66 113.38 1hjk n ARG 418 Ca 0.04 0.77 -0.17 0.00 -0.92 0.00 0.00 57.85 57.56 1hjk n ARG 418 Cb 0.65 -2.62 -0.15 0.00 0.45 0.00 0.00 32.46 30.79 1hjk n ARG 418 CO 0.00 0.00 0.00 -1.50 -2.51 0.00 0.00 177.63 173.62 1hjk s ILE 419 N -1.21 0.38 -0.02 5.15 2.07 -1.04 -4.30 121.20 122.23 1hjk s ILE 419 Ca 0.63 -0.11 -0.06 0.00 -1.41 0.00 0.00 60.65 59.70 1hjk s ILE 419 Cb -0.44 -0.38 0.00 0.00 0.13 0.00 0.00 42.46 41.77 1hjk s ILE 419 CO 0.56 0.15 0.14 0.00 -1.91 0.00 0.00 174.94 173.88 1hjk s ALA 420 N 0.47 -0.33 0.28 1.50 0.00 -0.79 -0.50 121.76 122.39 1hjk s ALA 420 Ca -0.05 0.03 0.02 0.00 0.00 0.00 0.00 51.96 51.96 1hjk s ALA 420 Cb -0.09 -0.00 -0.03 0.00 0.00 0.00 0.00 23.12 23.00 1hjk s ALA 420 CO -0.00 -0.17 0.26 0.00 0.00 0.00 0.00 175.76 175.85 1hjk s ALA 421 N -0.94 1.40 -0.26 0.00 0.00 -0.36 -0.03 121.76 121.57 1hjk s ALA 421 Ca -0.10 -1.83 -0.13 0.00 0.00 0.00 0.00 51.96 49.90 1hjk s ALA 421 Cb -0.06 1.39 0.09 0.00 0.00 0.00 0.00 23.12 24.54 1hjk s ALA 421 CO 0.01 -0.66 0.62 -0.47 0.00 0.00 0.00 175.76 175.26 1hjk s TYR 422 N -3.67 -1.03 -0.53 0.00 5.04 0.33 -3.29 117.35 114.20 1hjk s TYR 422 Ca 0.38 2.00 0.00 0.00 -2.44 0.00 0.00 57.07 57.01 1hjk s TYR 422 Cb 0.03 0.59 0.00 0.00 0.35 0.00 0.00 41.96 42.94 1hjk s TYR 422 CO 0.21 -0.53 0.00 0.41 -1.34 0.00 0.00 175.55 174.30 1hjk n GLY 423 N 4.62 0.40 3.70 8.97 0.00 -1.26 -0.64 105.19 120.98 1hjk n GLY 423 Ca -0.18 -2.27 -0.43 0.00 0.00 0.00 0.00 46.02 43.13 1hjk n GLY 423 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1hjk n PRO 424 N -0.20 2.62 -0.96 1.61 -0.04 -1.26 -2.42 135.00 134.35 1hjk n PRO 424 Ca 0.00 0.95 0.00 0.00 -0.04 0.00 0.00 63.50 64.41 1hjk n PRO 424 Cb 0.00 -2.80 0.00 0.00 -0.04 0.00 0.00 33.50 30.66 1hjk n PRO 424 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 1hjk n HIS 425 N 4.56 0.00 0.22 0.54 8.25 0.19 -4.65 115.22 124.33 1hjk n HIS 425 Ca 0.17 0.00 0.15 0.00 -0.26 0.00 0.00 57.72 57.78 1hjk n HIS 425 Cb 0.34 -0.18 0.78 0.00 1.12 0.00 0.00 29.99 32.05 1hjk n HIS 425 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1hjk h ALA 426 N 0.00 1.00 -0.50 -1.41 0.00 -1.72 -2.28 119.26 114.34 1hjk h ALA 426 Ca 0.00 0.00 0.04 0.00 0.00 0.00 0.00 54.91 54.95 1hjk h ALA 426 Cb 0.03 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 17.79 1hjk h ALA 426 CO 0.00 0.00 0.34 0.00 0.00 0.00 0.00 179.25 179.59 1hjk h ALA 427 N 2.01 1.80 0.00 0.00 0.00 -1.88 -3.01 119.26 118.18 1hjk h ALA 427 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1hjk h ALA 427 Cb 0.01 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.66 1hjk h ALA 427 CO 0.00 0.13 0.00 0.09 0.00 0.00 0.00 179.25 179.47 1hjk n ASN 428 N -4.47 0.00 -0.00 0.00 3.02 -0.86 -0.84 115.26 112.11 1hjk n ASN 428 Ca 0.06 -0.33 0.01 0.00 -0.03 0.00 0.00 54.58 54.29 1hjk n ASN 428 Cb 0.18 0.00 -0.01 0.00 -0.61 0.00 0.00 39.78 39.33 1hjk n ASN 428 CO 0.00 0.00 0.00 1.33 -2.62 0.00 0.00 177.26 175.97 1hjk n VAL 429 N -0.64 0.01 -1.80 2.41 0.24 -1.14 -4.95 118.33 112.46 1hjk n VAL 429 Ca 0.01 -0.05 -0.37 0.00 -2.04 0.00 0.00 64.34 61.89 1hjk n VAL 429 Cb 0.01 0.29 0.05 0.00 -1.47 0.00 0.00 33.84 32.72 1hjk n VAL 429 CO 0.00 0.00 0.00 -0.69 -2.14 0.00 0.00 176.83 174.00 1hjk s VAL 430 N -2.12 2.14 0.00 3.34 1.01 -0.02 -3.54 120.40 121.22 1hjk s VAL 430 Ca -0.01 0.10 0.00 0.00 0.00 0.00 0.00 61.98 62.07 1hjk s VAL 430 Cb 0.01 -3.04 0.00 0.00 0.00 0.00 0.00 36.38 33.35 1hjk s VAL 430 CO 0.08 -0.01 0.00 0.61 0.00 0.00 0.00 175.10 175.77 1hjk n GLY 431 N 0.77 -1.92 3.71 4.51 0.00 -1.25 -4.82 105.19 106.20 1hjk n GLY 431 Ca 0.13 -1.42 -0.38 0.00 0.00 0.00 0.00 46.02 44.35 1hjk n GLY 431 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1hjk s LEU 432 N 0.00 4.27 0.28 0.99 2.96 -1.26 -0.90 118.68 125.03 1hjk s LEU 432 Ca 0.00 0.89 -0.03 0.00 -0.22 0.00 0.00 54.13 54.77 1hjk s LEU 432 Cb 0.00 -2.79 -0.01 0.00 0.50 0.00 0.00 46.19 43.88 1hjk s LEU 432 CO 0.00 -0.05 0.37 0.42 -1.32 0.00 0.00 176.35 175.77 1hjk s THR 433 N 0.79 0.00 0.20 3.68 -4.23 -0.49 -4.98 115.64 110.61 1hjk s THR 433 Ca 0.29 -1.70 0.06 0.00 -1.18 0.00 0.00 61.69 59.16 1hjk s THR 433 Cb -0.16 -2.48 -0.04 0.00 1.34 0.00 0.00 72.50 71.16 1hjk s THR 433 CO 0.12 0.00 0.12 -0.62 -0.54 0.00 0.00 174.62 173.70 1hjk s ASP 434 N -3.18 5.32 0.53 3.99 2.15 -1.26 -1.60 116.67 122.61 1hjk s ASP 434 Ca 0.32 -0.24 0.19 0.00 0.43 0.00 0.00 52.55 53.24 1hjk s ASP 434 Cb 0.02 -1.32 1.36 0.00 -0.30 0.00 0.00 42.92 42.68 1hjk s ASP 434 CO 0.17 0.04 2.16 -0.61 -0.17 0.00 0.00 175.17 176.75 1hjk h GLN 435 N 2.18 0.00 0.00 4.34 4.15 -1.68 -0.34 115.11 123.76 1hjk h GLN 435 Ca -0.48 0.00 -0.03 0.00 0.77 0.00 0.00 58.65 58.91 1hjk h GLN 435 Cb 1.21 0.00 -0.00 0.00 0.21 0.00 0.00 27.48 28.90 1hjk h GLN 435 CO 0.61 0.01 -0.16 1.79 -1.93 0.00 0.00 178.83 179.15 1hjk h THR 436 N 0.00 0.38 -0.72 2.39 1.35 -1.86 -2.76 112.91 111.69 1hjk h THR 436 Ca -0.00 -1.00 -0.02 0.00 -0.55 0.00 0.00 66.41 64.85 1hjk h THR 436 Cb 0.02 1.74 -0.03 0.00 -1.73 0.00 0.00 68.15 68.15 1hjk h THR 436 CO 0.00 0.16 0.39 0.44 -0.25 0.00 0.00 175.52 176.26 1hjk h ASP 437 N 0.00 0.91 -1.01 5.36 3.32 -1.37 -2.84 116.42 120.79 1hjk h ASP 437 Ca -0.00 -0.10 0.23 0.00 0.02 0.00 0.00 57.03 57.17 1hjk h ASP 437 Cb 0.73 -0.23 -0.11 0.00 0.22 0.00 0.00 39.33 39.93 1hjk h ASP 437 CO 0.02 0.76 0.62 0.25 -1.72 0.00 0.00 179.24 179.16 1hjk h LEU 438 N 1.00 0.66 0.24 1.55 5.85 -1.54 0.23 115.31 123.30 1hjk h LEU 438 Ca 0.25 0.11 -0.01 0.00 0.84 0.00 0.00 57.88 59.07 1hjk h LEU 438 Cb 0.06 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.09 1hjk h LEU 438 CO -0.04 0.16 -0.12 0.15 -0.34 0.00 0.00 178.44 178.25 1hjk h PHE 439 N 0.60 -0.30 0.00 1.25 3.57 -1.54 -0.09 116.94 120.43 1hjk h PHE 439 Ca 0.61 -0.01 -0.06 0.00 3.53 0.00 0.00 57.97 62.04 1hjk h PHE 439 Cb 1.17 0.10 -0.01 0.00 2.79 0.00 0.00 35.95 40.00 1hjk h PHE 439 CO -0.00 -0.12 -0.30 1.88 -2.23 0.00 0.00 178.31 177.54 1hjk h TYR 440 N -0.41 0.00 -0.11 0.41 0.05 -1.05 0.14 116.97 116.00 1hjk h TYR 440 Ca -0.03 0.00 -0.04 0.00 0.05 0.00 0.00 58.73 58.70 1hjk h TYR 440 Cb 0.31 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 38.05 1hjk h TYR 440 CO -0.04 0.30 -0.10 1.15 -1.05 0.00 0.00 178.16 178.42 1hjk h THR 441 N 0.00 1.35 -0.56 -2.88 2.02 -0.48 -2.44 112.91 109.93 1hjk h THR 441 Ca -0.00 -1.23 -0.08 0.00 0.77 0.00 0.00 66.41 65.87 1hjk h THR 441 Cb 0.55 1.93 -0.02 0.00 -1.74 0.00 0.00 68.15 68.86 1hjk h THR 441 CO 0.04 0.35 0.04 0.24 0.37 0.00 0.00 175.52 176.56 1hjk h MET 442 N -0.14 0.93 0.24 6.66 2.86 -0.71 -2.01 114.93 122.76 1hjk h MET 442 Ca 0.02 -0.25 0.00 0.00 -2.06 0.00 0.00 59.70 57.41 1hjk h MET 442 Cb 0.61 -0.11 -0.02 0.00 0.06 0.00 0.00 31.60 32.14 1hjk h MET 442 CO 0.02 0.90 -0.24 -0.22 1.06 0.00 0.00 176.91 178.43 1hjk h LYS 443 N 0.86 -0.50 -0.32 1.72 3.64 -0.62 -2.63 116.57 118.73 1hjk h LYS 443 Ca 0.17 0.03 -0.12 0.00 -1.27 0.00 0.00 60.65 59.46 1hjk h LYS 443 Cb 0.46 0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 32.38 1hjk h LYS 443 CO 0.02 -0.33 -0.29 0.00 -2.27 0.00 0.00 179.45 176.58 1hjk h ALA 444 N 0.16 0.89 -0.32 5.00 0.00 -1.40 0.12 119.26 123.71 1hjk h ALA 444 Ca -0.00 -0.39 -0.08 0.00 0.00 0.00 0.00 54.91 54.44 1hjk h ALA 444 Cb 0.48 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.12 1hjk h ALA 444 CO -0.06 0.62 -0.14 0.00 0.00 0.00 0.00 179.25 179.68 1hjk h ALA 445 N 1.11 1.17 0.00 0.00 0.00 -1.36 -1.19 119.26 118.99 1hjk h ALA 445 Ca 0.07 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.69 1hjk h ALA 445 Cb 0.78 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.43 1hjk h ALA 445 CO 0.06 0.53 0.00 -0.11 0.00 0.00 0.00 179.25 179.73 1hjk n LEU 446 N -4.18 0.81 0.00 0.00 7.94 -0.99 0.55 117.00 121.12 1hjk n LEU 446 Ca 0.01 0.58 0.00 0.00 -1.11 0.00 0.00 56.01 55.48 1hjk n LEU 446 Cb 0.34 -0.32 0.00 0.00 0.53 0.00 0.00 43.42 43.97 1hjk n LEU 446 CO 0.41 -0.18 0.00 0.61 -1.11 0.00 0.00 177.39 177.12 1hjk n GLY 447 N 1.30 1.20 3.44 -3.96 0.00 -0.17 -4.92 105.19 102.09 1hjk n GLY 447 Ca 0.06 0.00 -0.49 0.00 0.00 0.00 0.00 46.02 45.58 1hjk n GLY 447 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1hjk n LEU 448 N 0.00 -0.59 -0.72 0.99 4.77 0.24 -4.91 117.00 116.78 1hjk n LEU 448 Ca 0.00 1.14 0.13 0.00 -0.03 0.00 0.00 56.01 57.25 1hjk n LEU 448 Cb 0.00 -1.00 0.32 0.00 -2.33 0.00 0.00 43.42 40.41 1hjk n LEU 448 CO 0.00 -2.57 0.75 0.29 -1.33 0.00 0.00 177.39 174.53