#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1h69 s GLY 2 N 0.00 0.08 -0.01 0.00 0.00 -1.26 -4.99 107.32 101.14 1h69 s GLY 2 Ca 0.00 0.46 0.03 0.00 0.00 0.00 0.00 44.72 45.21 1h69 s GLY 2 CO 0.00 1.35 0.06 0.54 0.00 0.00 0.00 173.10 175.05 1h69 n ARG 3 N 4.96 1.10 -3.61 2.90 5.12 -1.26 -4.94 116.66 120.92 1h69 n ARG 3 Ca -0.11 -0.02 -0.38 0.00 -1.93 0.00 0.00 57.85 55.40 1h69 n ARG 3 Cb 0.50 -1.09 -0.11 0.00 -1.16 0.00 0.00 32.46 30.60 1h69 n ARG 3 CO 0.00 0.00 0.00 1.03 -1.93 0.00 0.00 177.63 176.73 1h69 s ARG 4 N -2.20 3.89 0.01 5.56 3.00 -1.26 0.48 118.95 128.43 1h69 s ARG 4 Ca -0.01 -0.36 0.06 0.00 0.00 0.00 0.00 55.73 55.42 1h69 s ARG 4 Cb 0.02 -3.61 -0.02 0.00 0.00 0.00 0.00 34.95 31.34 1h69 s ARG 4 CO 0.15 -0.19 -0.19 0.00 0.00 0.00 0.00 175.30 175.06 1h69 s ALA 5 N 1.74 1.63 -0.08 2.13 0.00 -0.43 0.17 121.76 126.91 1h69 s ALA 5 Ca 0.07 -0.91 0.05 0.00 0.00 0.00 0.00 51.96 51.16 1h69 s ALA 5 Cb -0.16 -0.37 -0.00 0.00 0.00 0.00 0.00 23.12 22.59 1h69 s ALA 5 CO 0.10 0.38 -0.24 -1.17 0.00 0.00 0.00 175.76 174.83 1h69 s LEU 6 N -0.76 2.07 -0.25 0.00 2.96 0.87 -1.04 118.68 122.53 1h69 s LEU 6 Ca 0.07 -0.53 -0.00 0.00 -0.22 0.00 0.00 54.13 53.45 1h69 s LEU 6 Cb -0.08 -1.37 0.03 0.00 0.50 0.00 0.00 46.19 45.28 1h69 s LEU 6 CO 0.00 0.19 -0.08 -0.63 -1.32 0.00 0.00 176.35 174.51 1h69 s ILE 7 N 0.15 2.64 -0.36 6.68 1.01 -0.26 -0.20 121.20 130.86 1h69 s ILE 7 Ca -0.13 -1.18 -0.13 0.00 0.00 0.00 0.00 60.65 59.21 1h69 s ILE 7 Cb -0.16 -2.38 -0.00 0.00 0.01 0.00 0.00 42.46 39.93 1h69 s ILE 7 CO 0.07 0.16 0.24 -0.69 0.00 0.00 0.00 174.94 174.72 1h69 s VAL 8 N 1.27 5.15 -0.12 2.92 1.01 0.14 -1.05 120.40 129.72 1h69 s VAL 8 Ca -0.02 -0.39 -0.05 0.00 0.00 0.00 0.00 61.98 61.52 1h69 s VAL 8 Cb -0.17 -3.72 -0.04 0.00 0.00 0.00 0.00 36.38 32.45 1h69 s VAL 8 CO -0.05 -0.09 0.06 -0.22 0.00 0.00 0.00 175.10 174.79 1h69 s LEU 9 N 1.69 3.87 -0.59 3.92 2.96 -0.57 -1.09 118.68 128.87 1h69 s LEU 9 Ca 0.05 0.22 0.06 0.00 -0.22 0.00 0.00 54.13 54.24 1h69 s LEU 9 Cb -0.18 -1.93 0.21 0.00 0.50 0.00 0.00 46.19 44.80 1h69 s LEU 9 CO 0.10 0.33 0.57 0.00 -1.32 0.00 0.00 176.35 176.03 1h69 n ALA 10 N 2.49 3.42 -3.61 5.97 0.00 -0.63 -1.96 120.51 126.20 1h69 n ALA 10 Ca -0.18 -4.23 -0.11 0.00 0.00 0.00 0.00 53.44 48.92 1h69 n ALA 10 Cb 0.54 -0.90 -0.08 0.00 0.00 0.00 0.00 19.45 19.00 1h69 n ALA 10 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 1h69 s HIS 11 N -1.59 -0.84 -0.57 0.00 5.04 -1.26 -4.42 115.29 111.65 1h69 s HIS 11 Ca 0.33 1.84 0.24 0.00 -1.54 0.00 0.00 55.06 55.94 1h69 s HIS 11 Cb 0.08 0.41 0.47 0.00 0.04 0.00 0.00 32.58 33.58 1h69 s HIS 11 CO -0.10 -0.42 1.54 0.66 -2.34 0.00 0.00 174.74 174.08 1h69 h SER 12 N 6.16 0.00 -3.24 9.88 4.64 -1.98 -3.43 113.55 125.57 1h69 h SER 12 Ca -0.30 -0.05 -0.62 0.00 -0.47 0.00 0.00 61.79 60.35 1h69 h SER 12 Cb 1.19 0.00 -0.14 0.00 -0.31 0.00 0.00 62.40 63.14 1h69 h SER 12 CO 0.15 0.02 -0.54 -1.61 -0.87 0.00 0.00 176.83 173.98 1h69 s GLU 13 N -3.18 3.96 0.42 4.77 0.41 -1.26 -4.95 118.70 118.87 1h69 s GLU 13 Ca 0.07 -0.30 0.29 0.00 -0.41 0.00 0.00 54.97 54.62 1h69 s GLU 13 Cb 0.10 -3.25 1.10 0.00 -1.78 0.00 0.00 34.13 30.30 1h69 s GLU 13 CO 0.67 0.33 1.84 0.00 -0.49 0.00 0.00 175.26 177.61 1h69 h ARG 14 N 6.51 0.00 -0.01 1.61 3.08 -2.01 -2.83 114.38 120.74 1h69 h ARG 14 Ca -0.40 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.65 1h69 h ARG 14 Cb 1.17 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.22 1h69 h ARG 14 CO 0.71 0.00 -0.12 0.25 -1.07 0.00 0.00 179.97 179.74 1h69 n THR 15 N -2.75 0.00 -1.73 2.04 -2.24 -1.26 -4.70 114.28 103.63 1h69 n THR 15 Ca 0.02 -0.16 -0.31 0.00 -2.27 0.00 0.00 64.05 61.33 1h69 n THR 15 Cb 0.31 0.31 0.04 0.00 -2.10 0.00 0.00 70.33 68.89 1h69 n THR 15 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1h69 s SER 16 N -2.27 5.50 0.26 3.42 1.04 -1.07 -4.96 113.70 115.62 1h69 s SER 16 Ca 0.32 1.39 0.02 0.00 0.48 0.00 0.00 55.95 58.16 1h69 s SER 16 Cb 0.20 -2.27 0.34 0.00 0.10 0.00 0.00 66.02 64.38 1h69 s SER 16 CO 0.43 -1.34 1.65 0.15 0.98 0.00 0.00 173.24 175.11 1h69 h PHE 17 N -0.65 0.48 -0.75 5.02 3.57 -1.92 -2.35 116.94 120.34 1h69 h PHE 17 Ca -0.45 -0.13 0.07 0.00 3.53 0.00 0.00 57.97 60.99 1h69 h PHE 17 Cb 1.22 -0.11 -0.06 0.00 2.79 0.00 0.00 35.95 39.80 1h69 h PHE 17 CO 0.58 0.75 0.43 -0.91 -2.23 0.00 0.00 178.31 176.93 1h69 h ASN 18 N 0.34 0.64 -0.46 0.41 2.35 -1.92 0.34 115.58 117.27 1h69 h ASN 18 Ca 0.03 0.03 -0.11 0.00 -0.55 0.00 0.00 56.30 55.71 1h69 h ASN 18 Cb 0.85 -0.09 -0.02 0.00 0.05 0.00 0.00 38.32 39.11 1h69 h ASN 18 CO 0.07 0.40 -0.11 0.22 -1.65 0.00 0.00 177.43 176.36 1h69 h TYR 19 N 0.77 1.04 -0.90 1.19 3.20 -1.74 -1.97 116.97 118.56 1h69 h TYR 19 Ca 0.34 -0.20 -0.00 0.00 3.14 0.00 0.00 58.73 62.00 1h69 h TYR 19 Cb 0.23 -0.26 -0.04 0.00 1.54 0.00 0.00 36.73 38.20 1h69 h TYR 19 CO -0.07 0.98 0.55 0.00 -1.64 0.00 0.00 178.16 177.99 1h69 h ALA 20 N 1.03 1.15 -0.13 1.82 0.00 -0.62 -1.16 119.26 121.34 1h69 h ALA 20 Ca 0.13 -0.10 -0.08 0.00 0.00 0.00 0.00 54.91 54.87 1h69 h ALA 20 Cb 0.64 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 1h69 h ALA 20 CO 0.04 0.61 -0.26 0.52 0.00 0.00 0.00 179.25 180.16 1h69 h MET 21 N 1.24 0.24 -0.06 0.00 2.86 -0.04 -0.85 114.93 118.32 1h69 h MET 21 Ca 0.33 -0.08 -0.03 0.00 -2.06 0.00 0.00 59.70 57.86 1h69 h MET 21 Cb -0.06 -0.02 -0.00 0.00 0.06 0.00 0.00 31.60 31.58 1h69 h MET 21 CO -0.06 0.49 -0.07 -0.22 1.06 0.00 0.00 176.91 178.11 1h69 h LYS 22 N 0.22 0.16 -0.07 1.72 3.11 -0.61 -1.80 116.57 119.30 1h69 h LYS 22 Ca 0.03 -0.09 -0.00 0.00 -2.81 0.00 0.00 60.65 57.79 1h69 h LYS 22 Cb 0.58 0.01 -0.00 0.00 -1.00 0.00 0.00 32.23 31.82 1h69 h LYS 22 CO 0.04 0.62 0.04 0.93 -2.81 0.00 0.00 179.45 178.27 1h69 h GLU 23 N -0.30 0.09 -0.57 1.90 4.39 -1.11 -1.31 114.58 117.66 1h69 h GLU 23 Ca 0.01 -0.01 0.09 0.00 0.34 0.00 0.00 59.36 59.79 1h69 h GLU 23 Cb 0.60 -0.02 -0.07 0.00 -0.10 0.00 0.00 28.75 29.16 1h69 h GLU 23 CO 0.02 0.14 0.18 0.00 -1.16 0.00 0.00 179.01 178.19 1h69 h ALA 24 N 0.94 0.71 -0.49 3.43 0.00 -1.20 0.21 119.26 122.87 1h69 h ALA 24 Ca 0.02 0.09 -0.03 0.00 0.00 0.00 0.00 54.91 55.00 1h69 h ALA 24 Cb 0.08 0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 1h69 h ALA 24 CO -0.00 -0.24 0.20 0.00 0.00 0.00 0.00 179.25 179.21 1h69 h ALA 25 N 1.41 0.63 -0.17 0.00 0.00 -1.10 -0.59 119.26 119.44 1h69 h ALA 25 Ca 0.29 -0.14 -0.03 0.00 0.00 0.00 0.00 54.91 55.03 1h69 h ALA 25 Cb 0.38 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 1h69 h ALA 25 CO -0.32 0.23 0.01 0.00 0.00 0.00 0.00 179.25 179.17 1h69 h ALA 26 N 1.05 0.23 -0.43 0.00 0.00 -0.60 -0.49 119.26 119.03 1h69 h ALA 26 Ca 0.16 -0.19 0.04 0.00 0.00 0.00 0.00 54.91 54.92 1h69 h ALA 26 Cb 0.18 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 17.86 1h69 h ALA 26 CO -0.02 -0.07 0.19 0.00 0.00 0.00 0.00 179.25 179.36 1h69 h ALA 27 N 0.79 0.52 -0.53 0.00 0.00 -0.49 -0.80 119.26 118.75 1h69 h ALA 27 Ca 0.05 0.03 -0.11 0.00 0.00 0.00 0.00 54.91 54.88 1h69 h ALA 27 Cb 0.36 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.10 1h69 h ALA 27 CO 0.01 -0.18 -0.11 0.00 0.00 0.00 0.00 179.25 178.97 1h69 h ALA 28 N 1.24 0.79 -0.40 0.00 0.00 -1.03 -2.58 119.26 117.28 1h69 h ALA 28 Ca 0.19 -0.35 -0.11 0.00 0.00 0.00 0.00 54.91 54.64 1h69 h ALA 28 Cb 0.12 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 1h69 h ALA 28 CO -0.15 0.67 -0.18 -0.07 0.00 0.00 0.00 179.25 179.52 1h69 h LEU 29 N 0.90 0.85 -1.12 0.00 4.07 -0.76 -2.77 115.31 116.48 1h69 h LEU 29 Ca 0.14 -0.40 -0.05 0.00 0.08 0.00 0.00 57.88 57.65 1h69 h LEU 29 Cb 0.67 -0.23 -0.02 0.00 1.08 0.00 0.00 40.66 42.16 1h69 h LEU 29 CO 0.05 1.06 0.08 0.11 -1.08 0.00 0.00 178.44 178.66 1h69 h LYS 30 N 0.64 0.70 0.00 1.13 1.57 -1.18 -1.05 116.57 118.38 1h69 h LYS 30 Ca 0.09 -0.14 -0.02 0.00 -1.87 0.00 0.00 60.65 58.71 1h69 h LYS 30 Cb 0.73 -0.11 -0.00 0.00 0.08 0.00 0.00 32.23 32.93 1h69 h LYS 30 CO 0.06 0.66 -0.10 0.87 -0.57 0.00 0.00 179.45 180.37 1h69 h LYS 31 N 0.68 0.00 -0.63 3.15 1.57 -1.18 -1.63 116.57 118.53 1h69 h LYS 31 Ca 0.15 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.93 1h69 h LYS 31 Cb 0.30 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.61 1h69 h LYS 31 CO 0.00 0.10 0.00 1.63 -0.57 0.00 0.00 179.45 180.61 1h69 n LYS 32 N -3.99 4.19 -0.63 3.15 4.76 -0.78 -4.92 118.16 119.95 1h69 n LYS 32 Ca -0.02 -2.83 0.00 0.00 -2.87 0.00 0.00 58.31 52.59 1h69 n LYS 32 Cb 0.19 -2.07 0.00 0.00 -1.84 0.00 0.00 35.03 31.31 1h69 n LYS 32 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1h69 n GLY 33 N 0.80 0.68 3.87 0.72 0.00 -0.61 -5.06 105.19 105.59 1h69 n GLY 33 Ca 0.25 -0.01 -0.31 0.00 0.00 0.00 0.00 46.02 45.96 1h69 n GLY 33 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1h69 s TRP 34 N -2.00 3.55 -0.23 1.61 0.52 -0.47 -4.94 118.94 116.98 1h69 s TRP 34 Ca 0.00 1.22 -0.09 0.00 0.02 0.00 0.00 56.10 57.25 1h69 s TRP 34 Cb 0.00 -2.63 -0.04 0.00 -1.15 0.00 0.00 33.47 29.65 1h69 s TRP 34 CO 0.00 -0.45 0.11 -2.00 0.02 0.00 0.00 176.95 174.63 1h69 s GLU 35 N -4.62 3.93 -0.21 4.98 2.12 0.18 -4.26 118.70 120.82 1h69 s GLU 35 Ca 0.54 -0.35 0.00 0.00 0.36 0.00 0.00 54.97 55.52 1h69 s GLU 35 Cb -0.10 -3.40 0.02 0.00 0.26 0.00 0.00 34.13 30.91 1h69 s GLU 35 CO 0.43 0.04 -0.15 0.08 -0.54 0.00 0.00 175.26 175.12 1h69 s VAL 36 N 1.07 2.37 0.08 3.70 1.01 -1.26 -1.31 120.40 126.06 1h69 s VAL 36 Ca 0.06 -0.98 0.04 0.00 0.00 0.00 0.00 61.98 61.09 1h69 s VAL 36 Cb -0.14 -2.10 -0.04 0.00 0.00 0.00 0.00 36.38 34.11 1h69 s VAL 36 CO 0.04 0.40 0.03 -0.69 0.00 0.00 0.00 175.10 174.87 1h69 s VAL 37 N 1.30 4.21 0.11 2.92 1.01 -0.21 -5.02 120.40 124.71 1h69 s VAL 37 Ca 0.03 -0.90 0.07 0.00 0.00 0.00 0.00 61.98 61.18 1h69 s VAL 37 Cb -0.15 -3.01 -0.04 0.00 0.00 0.00 0.00 36.38 33.19 1h69 s VAL 37 CO -0.09 0.13 -0.18 -1.61 0.00 0.00 0.00 175.10 173.34 1h69 s GLU 38 N -2.32 1.09 -0.47 2.72 2.02 -1.26 -1.10 118.70 119.38 1h69 s GLU 38 Ca 0.27 -1.18 0.03 0.00 0.02 0.00 0.00 54.97 54.10 1h69 s GLU 38 Cb -0.12 -1.22 0.16 0.00 0.10 0.00 0.00 34.13 33.04 1h69 s GLU 38 CO 0.19 0.27 0.32 -1.12 0.02 0.00 0.00 175.26 174.95 1h69 s SER 39 N -2.09 2.98 -0.97 -0.19 0.01 -0.21 -4.92 113.70 108.30 1h69 s SER 39 Ca 0.07 -2.97 -0.21 0.00 1.31 0.00 0.00 55.95 54.15 1h69 s SER 39 Cb -0.09 -0.85 0.09 0.00 0.21 0.00 0.00 66.02 65.39 1h69 s SER 39 CO 0.04 -0.20 1.28 -0.62 0.41 0.00 0.00 173.24 174.15 1h69 s ASP 40 N -0.01 6.56 0.26 2.44 -1.08 -1.26 -1.51 116.67 122.06 1h69 s ASP 40 Ca 0.25 -1.73 -0.06 0.00 -0.52 0.00 0.00 52.55 50.49 1h69 s ASP 40 Cb -0.10 -2.48 0.47 0.00 -1.46 0.00 0.00 42.92 39.35 1h69 s ASP 40 CO -0.10 -1.29 1.62 -0.07 0.52 0.00 0.00 175.17 175.84 1h69 h LEU 41 N 11.61 -0.43 -0.39 -1.34 3.38 -1.76 -1.04 115.31 125.33 1h69 h LEU 41 Ca 0.17 0.22 -0.06 0.00 0.09 0.00 0.00 57.88 58.30 1h69 h LEU 41 Cb 1.02 0.39 -0.01 0.00 0.09 0.00 0.00 40.66 42.15 1h69 h LEU 41 CO 1.27 -0.22 0.02 1.88 0.09 0.00 0.00 178.44 181.48 1h69 h TYR 42 N 0.07 0.74 -0.16 1.13 0.05 -1.84 -1.32 116.97 115.64 1h69 h TYR 42 Ca 0.44 -0.12 -0.02 0.00 0.05 0.00 0.00 58.73 59.08 1h69 h TYR 42 Cb 0.78 -0.20 -0.01 0.00 1.01 0.00 0.00 36.73 38.32 1h69 h TYR 42 CO -0.47 0.75 0.03 0.00 -1.05 0.00 0.00 178.16 177.42 1h69 h ALA 43 N 0.89 1.75 0.00 3.88 0.00 -1.61 0.14 119.26 124.31 1h69 h ALA 43 Ca 0.11 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1h69 h ALA 43 Cb 0.44 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.16 1h69 h ALA 43 CO 0.02 0.20 -0.11 -1.33 0.00 0.00 0.00 179.25 178.02 1h69 n MET 44 N -4.43 0.21 -3.71 0.00 2.81 -0.50 -4.90 117.12 106.60 1h69 n MET 44 Ca -0.01 0.15 -0.23 0.00 -1.81 0.00 0.00 57.70 55.80 1h69 n MET 44 Cb 0.14 -1.72 0.04 0.00 -0.71 0.00 0.00 33.22 30.98 1h69 n MET 44 CO 0.00 0.00 0.00 -1.71 1.51 0.00 0.00 175.97 175.77 1h69 n ASN 45 N -2.06 -2.23 -4.73 7.83 2.85 0.48 -4.86 115.26 112.54 1h69 n ASN 45 Ca 0.06 -0.77 -0.42 0.00 -0.11 0.00 0.00 54.58 53.33 1h69 n ASN 45 Cb 0.41 -4.20 -0.02 0.00 1.24 0.00 0.00 39.78 37.21 1h69 n ASN 45 CO 0.00 0.00 0.00 0.33 -2.11 0.00 0.00 177.26 175.48 1h69 n PHE 46 N -4.38 2.72 -2.51 1.20 7.35 -0.61 -4.95 117.46 116.29 1h69 n PHE 46 Ca -0.22 0.21 -0.43 0.00 -0.76 0.00 0.00 57.45 56.26 1h69 n PHE 46 Cb 0.64 -2.60 -0.02 0.00 0.35 0.00 0.00 39.48 37.85 1h69 n PHE 46 CO 0.00 0.00 0.00 1.21 -0.76 0.00 0.00 176.76 177.21 1h69 s ASN 47 N 0.69 6.61 0.00 -2.13 3.04 -1.26 -4.92 114.94 116.97 1h69 s ASN 47 Ca 0.68 0.79 0.20 0.00 0.04 0.00 0.00 52.86 54.57 1h69 s ASN 47 Cb -0.53 -2.54 0.59 0.00 -1.54 0.00 0.00 41.25 37.23 1h69 s ASN 47 CO 0.43 -1.21 1.47 -0.81 -3.04 0.00 0.00 177.10 173.94 1h69 n PRO 48 N 7.66 2.02 -3.54 0.43 -0.04 -1.26 -4.82 135.00 135.45 1h69 n PRO 48 Ca 0.14 -1.55 -0.40 0.00 -0.04 0.00 0.00 63.50 61.65 1h69 n PRO 48 Cb 0.48 -1.42 -0.11 0.00 -0.04 0.00 0.00 33.50 32.41 1h69 n PRO 48 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 1h69 s ILE 49 N -1.64 5.18 0.14 0.52 -1.09 -1.26 -4.20 121.20 118.85 1h69 s ILE 49 Ca 0.34 -0.32 -0.31 0.00 -2.23 0.00 0.00 60.65 58.13 1h69 s ILE 49 Cb 0.19 -3.69 -0.08 0.00 -1.58 0.00 0.00 42.46 37.29 1h69 s ILE 49 CO 0.27 -0.05 1.35 0.27 -1.23 0.00 0.00 174.94 175.56 1h69 s ILE 50 N 1.70 3.32 0.33 2.92 -4.36 -1.26 -4.97 121.20 118.87 1h69 s ILE 50 Ca 0.06 0.99 -0.16 0.00 -0.26 0.00 0.00 60.65 61.28 1h69 s ILE 50 Cb -0.18 -3.63 0.03 0.00 1.25 0.00 0.00 42.46 39.93 1h69 s ILE 50 CO 0.10 0.10 0.69 -0.94 0.24 0.00 0.00 174.94 175.12 1h69 s SER 51 N 0.86 0.01 0.02 4.36 1.04 -1.26 -5.01 113.70 113.72 1h69 s SER 51 Ca 0.62 -0.98 0.09 0.00 0.48 0.00 0.00 55.95 56.16 1h69 s SER 51 Cb -0.36 0.75 0.39 0.00 0.10 0.00 0.00 66.02 66.90 1h69 s SER 51 CO 0.33 -1.46 1.29 -2.11 0.98 0.00 0.00 173.24 172.27 1h69 n ARG 52 N -0.49 0.01 -0.00 4.02 1.85 -1.26 -1.45 116.66 119.34 1h69 n ARG 52 Ca -0.05 0.37 0.15 0.00 -1.00 0.00 0.00 57.85 57.32 1h69 n ARG 52 Cb 0.60 -1.53 0.90 0.00 -1.05 0.00 0.00 32.46 31.38 1h69 n ARG 52 CO 0.00 0.00 0.00 1.63 -0.01 0.00 0.00 177.63 179.25 1h69 n LYS 53 N -1.55 1.02 0.07 2.89 5.02 -1.26 -2.61 118.16 121.74 1h69 n LYS 53 Ca 0.02 -0.03 0.13 0.00 -2.02 0.00 0.00 58.31 56.41 1h69 n LYS 53 Cb 0.10 -1.48 0.35 0.00 -0.02 0.00 0.00 35.03 33.98 1h69 n LYS 53 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 1h69 n ASP 54 N -0.95 0.66 -4.41 4.39 8.00 -0.53 -4.70 116.55 119.01 1h69 n ASP 54 Ca 0.23 0.38 -0.34 0.00 0.71 0.00 0.00 54.79 55.77 1h69 n ASP 54 Cb 0.11 -0.41 -0.13 0.00 -0.02 0.00 0.00 41.12 40.67 1h69 n ASP 54 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1h69 s ILE 55 N -3.10 3.53 -0.35 0.53 1.09 -1.07 0.13 121.20 121.95 1h69 s ILE 55 Ca 0.10 -0.47 0.22 0.00 -1.10 0.00 0.00 60.65 59.39 1h69 s ILE 55 Cb 0.14 -2.55 -0.26 0.00 -1.06 0.00 0.00 42.46 38.72 1h69 s ILE 55 CO 0.63 0.48 0.69 0.35 -0.10 0.00 0.00 174.94 176.99 1h69 n THR 56 N 3.95 0.06 -2.12 2.92 -2.24 0.25 -4.89 114.28 112.21 1h69 n THR 56 Ca -0.18 -0.35 -0.28 0.00 -2.27 0.00 0.00 64.05 60.97 1h69 n THR 56 Cb 0.52 0.25 0.16 0.00 -2.10 0.00 0.00 70.33 69.16 1h69 n THR 56 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1h69 s GLY 57 N -4.03 1.77 -0.13 3.38 0.00 -1.24 -5.01 107.32 102.07 1h69 s GLY 57 Ca -0.02 -1.35 -0.29 0.00 0.00 0.00 0.00 44.72 43.05 1h69 s GLY 57 CO 0.88 -0.64 1.01 0.54 0.00 0.00 0.00 173.10 174.89 1h69 s LYS 58 N -5.67 4.39 0.88 2.90 1.02 -1.26 -5.01 119.74 116.99 1h69 s LYS 58 Ca 0.72 1.39 -0.11 0.00 0.02 0.00 0.00 55.97 57.98 1h69 s LYS 58 Cb -0.04 -3.56 0.13 0.00 -0.52 0.00 0.00 37.83 33.83 1h69 s LYS 58 CO 0.50 -0.38 1.16 -0.51 -0.92 0.00 0.00 175.35 175.21 1h69 s LEU 59 N 2.26 2.94 0.11 3.17 1.43 -1.26 -4.94 118.68 122.39 1h69 s LEU 59 Ca 0.47 2.24 0.11 0.00 -1.03 0.00 0.00 54.13 55.93 1h69 s LEU 59 Cb -0.18 -4.57 -0.15 0.00 0.03 0.00 0.00 46.19 41.32 1h69 s LEU 59 CO 0.15 -2.96 1.13 0.50 0.23 0.00 0.00 176.35 175.40 1h69 h LYS 60 N -1.57 0.00 -1.82 1.70 3.64 -1.95 -3.40 116.57 113.16 1h69 h LYS 60 Ca -0.44 0.00 -0.45 0.00 -1.27 0.00 0.00 60.65 58.49 1h69 h LYS 60 Cb 1.28 0.00 -0.31 0.00 -0.41 0.00 0.00 32.23 32.79 1h69 h LYS 60 CO 0.43 0.69 -0.84 -3.47 -2.27 0.00 0.00 179.45 174.00 1h69 n ASP 61 N -3.20 -1.35 -0.04 4.20 -0.08 -1.26 -5.01 116.55 109.80 1h69 n ASP 61 Ca -0.04 -2.61 0.00 0.00 -1.51 0.00 0.00 54.79 50.63 1h69 n ASP 61 Cb 0.91 0.19 0.30 0.00 2.34 0.00 0.00 41.12 44.86 1h69 n ASP 61 CO 0.00 0.00 0.00 1.55 0.12 0.00 0.00 177.20 178.87 1h69 h PRO 62 N 5.19 0.61 0.00 -0.67 0.13 -1.98 -3.00 132.00 132.28 1h69 h PRO 62 Ca 0.17 -0.10 -0.08 0.00 -0.87 0.00 0.00 66.00 65.12 1h69 h PRO 62 Cb 0.97 -0.11 -0.01 0.00 0.13 0.00 0.00 31.00 31.98 1h69 h PRO 62 CO 0.28 0.55 -0.39 0.00 -0.23 0.00 0.00 178.00 178.21 1h69 h ALA 63 N 1.53 0.90 -2.92 -0.56 0.00 -1.98 -3.35 119.26 112.87 1h69 h ALA 63 Ca 0.14 -0.35 -0.61 0.00 0.00 0.00 0.00 54.91 54.08 1h69 h ALA 63 Cb 0.20 -0.06 -0.40 0.00 0.00 0.00 0.00 17.79 17.53 1h69 h ALA 63 CO -0.01 0.49 -0.72 1.21 0.00 0.00 0.00 179.25 180.22 1h69 s ASN 64 N -6.40 3.65 0.05 0.00 2.47 -1.13 -5.10 114.94 108.48 1h69 s ASN 64 Ca 0.01 -3.20 -0.31 0.00 0.42 0.00 0.00 52.86 49.79 1h69 s ASN 64 Cb 0.10 -1.17 -0.06 0.00 -1.45 0.00 0.00 41.25 38.66 1h69 s ASN 64 CO 0.70 -0.18 1.32 0.12 -3.72 0.00 0.00 177.10 175.34 1h69 s PHE 65 N -0.42 3.18 -0.24 0.43 2.19 -1.21 -4.79 117.98 117.12 1h69 s PHE 65 Ca 0.23 1.04 -0.02 0.00 0.33 0.00 0.00 56.93 58.52 1h69 s PHE 65 Cb -0.11 -3.57 0.07 0.00 -1.31 0.00 0.00 43.02 38.10 1h69 s PHE 65 CO -0.10 -1.98 0.04 -0.65 1.83 0.00 0.00 175.22 174.37 1h69 s GLN 66 N 1.58 0.82 0.14 10.12 -0.21 -1.26 -5.05 119.66 125.79 1h69 s GLN 66 Ca 0.62 -0.73 -0.22 0.00 0.02 0.00 0.00 55.36 55.05 1h69 s GLN 66 Cb -0.32 -2.13 0.00 0.00 1.00 0.00 0.00 33.01 31.56 1h69 s GLN 66 CO 0.28 -0.76 1.66 -0.92 -2.12 0.00 0.00 175.29 173.43 1h69 h TYR 67 N 8.15 -0.45 -0.30 0.91 3.20 -1.98 -1.80 116.97 124.70 1h69 h TYR 67 Ca -0.16 0.03 0.04 0.00 3.14 0.00 0.00 58.73 61.78 1h69 h TYR 67 Cb 1.08 0.22 -0.07 0.00 1.54 0.00 0.00 36.73 39.50 1h69 h TYR 67 CO 0.34 -0.25 -0.55 -1.35 -1.64 0.00 0.00 178.16 174.72 1h69 h PRO 68 N -0.20 -0.45 0.02 1.82 0.11 -1.99 0.12 132.00 131.44 1h69 h PRO 68 Ca 0.11 0.03 -0.00 0.00 0.11 0.00 0.00 66.00 66.25 1h69 h PRO 68 Cb 0.36 0.10 0.00 0.00 0.11 0.00 0.00 31.00 31.58 1h69 h PRO 68 CO -0.29 -0.30 -0.01 0.00 -0.21 0.00 0.00 178.00 177.19 1h69 h ALA 69 N -0.16 -0.03 -0.71 -0.75 0.00 -1.98 -1.93 119.26 113.70 1h69 h ALA 69 Ca 0.06 -0.04 -0.05 0.00 0.00 0.00 0.00 54.91 54.87 1h69 h ALA 69 Cb 0.62 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.39 1h69 h ALA 69 CO -0.53 -0.48 0.24 0.93 0.00 0.00 0.00 179.25 179.41 1h69 h GLU 70 N -0.10 1.09 -0.51 0.00 4.39 -1.20 -1.07 114.58 117.19 1h69 h GLU 70 Ca -0.00 -0.22 -0.11 0.00 0.34 0.00 0.00 59.36 59.37 1h69 h GLU 70 Cb 0.09 -0.16 -0.02 0.00 -0.10 0.00 0.00 28.75 28.56 1h69 h GLU 70 CO 0.00 0.92 -0.10 0.66 -1.16 0.00 0.00 179.01 179.34 1h69 h SER 71 N 1.03 0.96 -0.60 1.42 4.64 -0.74 0.55 113.55 120.81 1h69 h SER 71 Ca 0.23 -0.35 -0.03 0.00 -0.47 0.00 0.00 61.79 61.17 1h69 h SER 71 Cb 0.27 -0.26 -0.03 0.00 -0.31 0.00 0.00 62.40 62.08 1h69 h SER 71 CO -0.01 1.08 0.26 0.58 -0.87 0.00 0.00 176.83 177.87 1h69 h VAL 72 N 0.82 1.22 -0.38 0.95 2.07 -1.11 -0.18 116.25 119.64 1h69 h VAL 72 Ca 0.13 -0.67 -0.00 0.00 0.82 0.00 0.00 66.70 66.98 1h69 h VAL 72 Cb 0.65 0.55 -0.02 0.00 -1.52 0.00 0.00 31.29 30.96 1h69 h VAL 72 CO 0.04 0.26 0.23 0.25 0.02 0.00 0.00 177.57 178.38 1h69 h LEU 73 N 0.82 0.45 -1.18 2.57 5.85 -0.98 -1.30 115.31 121.55 1h69 h LEU 73 Ca 0.20 -0.05 -0.02 0.00 0.84 0.00 0.00 57.88 58.85 1h69 h LEU 73 Cb 0.17 -0.11 -0.03 0.00 0.37 0.00 0.00 40.66 41.06 1h69 h LEU 73 CO -0.02 0.37 0.35 0.00 -0.34 0.00 0.00 178.44 178.81 1h69 h ALA 74 N 1.10 1.37 -0.22 1.25 0.00 -0.40 -1.12 119.26 121.24 1h69 h ALA 74 Ca 0.14 -0.11 -0.03 0.00 0.00 0.00 0.00 54.91 54.91 1h69 h ALA 74 Cb 0.01 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.52 1h69 h ALA 74 CO -0.03 0.51 0.04 -0.92 0.00 0.00 0.00 179.25 178.85 1h69 h TYR 75 N 0.93 0.38 0.00 0.00 3.20 -0.69 0.54 116.97 121.32 1h69 h TYR 75 Ca 0.23 -0.05 -0.03 0.00 3.14 0.00 0.00 58.73 62.02 1h69 h TYR 75 Cb 0.04 -0.10 -0.00 0.00 1.54 0.00 0.00 36.73 38.20 1h69 h TYR 75 CO 0.01 0.49 -0.13 0.87 -1.64 0.00 0.00 178.16 177.75 1h69 h LYS 76 N 0.16 0.00 -0.02 1.82 1.57 -0.65 -2.91 116.57 116.54 1h69 h LYS 76 Ca 0.07 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.85 1h69 h LYS 76 Cb 0.31 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.62 1h69 h LYS 76 CO 0.00 0.13 -0.11 0.39 -0.57 0.00 0.00 179.45 179.30 1h69 n GLU 77 N -4.37 1.49 -2.36 3.15 1.02 -0.48 -4.99 120.64 114.10 1h69 n GLU 77 Ca -0.03 -1.31 -0.02 0.00 -0.02 0.00 0.00 57.16 55.79 1h69 n GLU 77 Cb 0.20 -1.32 0.00 0.00 -0.02 0.00 0.00 31.44 30.31 1h69 n GLU 77 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1h69 n GLY 78 N 1.04 0.58 0.87 0.62 0.00 0.19 -4.98 105.19 103.50 1h69 n GLY 78 Ca 0.09 -0.68 0.08 0.00 0.00 0.00 0.00 46.02 45.51 1h69 n GLY 78 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1h69 n HIS 79 N -3.30 0.87 -2.69 1.61 8.25 0.16 -4.99 115.22 115.13 1h69 n HIS 79 Ca -0.01 -0.79 -0.35 0.00 -0.26 0.00 0.00 57.72 56.31 1h69 n HIS 79 Cb 0.51 -0.26 -0.05 0.00 1.12 0.00 0.00 29.99 31.31 1h69 n HIS 79 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 1h69 s LEU 80 N -2.42 4.06 0.19 2.41 1.43 -1.22 0.87 118.68 123.99 1h69 s LEU 80 Ca 0.38 1.85 -0.32 0.00 -1.03 0.00 0.00 54.13 55.02 1h69 s LEU 80 Cb 0.29 -4.34 -0.16 0.00 0.03 0.00 0.00 46.19 42.01 1h69 s LEU 80 CO 0.11 -0.41 1.05 -0.24 0.23 0.00 0.00 176.35 177.09 1h69 n SER 81 N -0.30 0.91 0.31 2.29 2.88 0.34 -4.74 113.62 115.31 1h69 n SER 81 Ca 0.06 1.15 0.18 0.00 -1.33 0.00 0.00 58.87 58.93 1h69 n SER 81 Cb 0.52 -1.17 1.03 0.00 -0.75 0.00 0.00 64.21 63.83 1h69 n SER 81 CO 0.00 0.00 0.00 1.55 -1.23 0.00 0.00 175.04 175.36 1h69 h PRO 82 N 2.79 0.00 0.00 -1.46 0.13 -1.93 -2.03 132.00 129.50 1h69 h PRO 82 Ca -0.41 0.00 -0.16 0.00 -0.87 0.00 0.00 66.00 64.56 1h69 h PRO 82 Cb 1.36 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.47 1h69 h PRO 82 CO 0.66 0.00 -0.74 0.38 -0.23 0.00 0.00 178.00 178.07 1h69 h ASP 83 N 0.00 0.00 -0.12 1.44 2.03 -1.99 -1.85 116.42 115.93 1h69 h ASP 83 Ca 0.00 0.00 -0.15 0.00 -0.73 0.00 0.00 57.03 56.16 1h69 h ASP 83 Cb 0.02 0.00 0.01 0.00 -0.83 0.00 0.00 39.33 38.53 1h69 h ASP 83 CO -0.00 0.74 -0.50 0.40 -1.03 0.00 0.00 179.24 178.85 1h69 h ILE 84 N 0.00 1.35 -0.91 4.15 2.04 -1.74 -2.93 117.51 119.47 1h69 h ILE 84 Ca -0.01 -1.80 0.02 0.00 1.00 0.00 0.00 64.86 64.08 1h69 h ILE 84 Cb 1.32 2.13 -0.05 0.00 -0.74 0.00 0.00 36.82 39.48 1h69 h ILE 84 CO 0.10 0.55 0.60 0.58 0.00 0.00 0.00 178.15 179.97 1h69 h VAL 85 N 0.17 1.19 -0.74 1.67 2.07 -1.32 -1.03 116.25 118.27 1h69 h VAL 85 Ca -0.03 -0.41 -0.04 0.00 0.82 0.00 0.00 66.70 67.05 1h69 h VAL 85 Cb 1.14 -0.10 -0.03 0.00 -1.52 0.00 0.00 31.29 30.77 1h69 h VAL 85 CO 0.10 0.22 0.32 0.00 0.02 0.00 0.00 177.57 178.23 1h69 h ALA 86 N 1.45 1.16 -0.20 1.67 0.00 -1.28 -1.26 119.26 120.80 1h69 h ALA 86 Ca 0.35 -0.17 -0.19 0.00 0.00 0.00 0.00 54.91 54.90 1h69 h ALA 86 Cb -0.06 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 17.43 1h69 h ALA 86 CO -0.09 0.62 -0.64 0.93 0.00 0.00 0.00 179.25 180.06 1h69 h GLU 87 N 1.07 0.71 -0.24 0.00 4.39 -1.22 -2.92 114.58 116.37 1h69 h GLU 87 Ca 0.25 -0.50 -0.04 0.00 0.34 0.00 0.00 59.36 59.40 1h69 h GLU 87 Cb 0.17 0.08 -0.01 0.00 -0.10 0.00 0.00 28.75 28.88 1h69 h GLU 87 CO -0.03 1.12 -0.05 1.96 -1.16 0.00 0.00 179.01 180.86 1h69 h GLN 88 N 0.52 0.37 -0.26 2.33 4.20 -0.92 -1.66 115.11 119.70 1h69 h GLN 88 Ca -0.01 -0.08 -0.12 0.00 0.06 0.00 0.00 58.65 58.50 1h69 h GLN 88 Cb 1.23 -0.06 -0.01 0.00 0.30 0.00 0.00 27.48 28.95 1h69 h GLN 88 CO 0.13 0.44 -0.36 0.87 -0.67 0.00 0.00 178.83 179.24 1h69 h LYS 89 N 0.36 0.57 -0.53 1.46 1.57 -1.13 -1.51 116.57 117.36 1h69 h LYS 89 Ca 0.08 -0.27 -0.11 0.00 -1.87 0.00 0.00 60.65 58.48 1h69 h LYS 89 Cb 0.32 -0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.60 1h69 h LYS 89 CO 0.01 0.84 -0.12 0.87 -0.57 0.00 0.00 179.45 180.49 1h69 h LYS 90 N 0.48 1.01 -0.55 3.15 1.57 -1.19 -2.67 116.57 118.36 1h69 h LYS 90 Ca 0.05 -0.37 -0.06 0.00 -1.87 0.00 0.00 60.65 58.40 1h69 h LYS 90 Cb 0.84 -0.06 -0.02 0.00 0.08 0.00 0.00 32.23 33.07 1h69 h LYS 90 CO 0.07 1.06 0.13 -0.07 -0.57 0.00 0.00 179.45 180.07 1h69 h LEU 91 N 0.89 0.84 -1.26 2.94 3.38 -1.10 -2.15 115.31 118.85 1h69 h LEU 91 Ca 0.14 -0.24 -0.07 0.00 0.09 0.00 0.00 57.88 57.80 1h69 h LEU 91 Cb 0.68 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 41.20 1h69 h LEU 91 CO 0.05 0.86 -0.24 -0.33 0.09 0.00 0.00 178.44 178.87 1h69 h GLU 92 N 0.79 0.20 0.04 1.13 5.08 -1.21 -2.94 114.58 117.66 1h69 h GLU 92 Ca 0.17 -0.06 -0.22 0.00 -1.00 0.00 0.00 59.36 58.25 1h69 h GLU 92 Cb 0.35 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.57 1h69 h GLU 92 CO 0.00 0.44 -1.00 0.00 -1.00 0.00 0.00 179.01 177.45 1h69 h ALA 93 N 1.57 0.37 -2.82 3.43 0.00 -1.28 -3.46 119.26 117.07 1h69 h ALA 93 Ca 0.03 -0.80 -0.52 0.00 0.00 0.00 0.00 54.91 53.63 1h69 h ALA 93 Cb 0.53 -0.06 0.07 0.00 0.00 0.00 0.00 17.79 18.33 1h69 h ALA 93 CO 0.04 0.98 0.57 0.00 0.00 0.00 0.00 179.25 180.83 1h69 s ALA 94 N -2.98 3.21 -0.24 0.00 0.00 -0.83 -4.77 121.76 116.14 1h69 s ALA 94 Ca -0.03 1.12 0.03 0.00 0.00 0.00 0.00 51.96 53.08 1h69 s ALA 94 Cb 0.09 -3.44 -0.17 0.00 0.00 0.00 0.00 23.12 19.60 1h69 s ALA 94 CO 0.84 -0.71 -0.20 -0.25 0.00 0.00 0.00 175.76 175.45 1h69 n ASP 95 N 0.10 1.98 -4.12 0.00 8.00 0.44 -4.91 116.55 118.05 1h69 n ASP 95 Ca 0.04 -0.12 -0.30 0.00 0.71 0.00 0.00 54.79 55.11 1h69 n ASP 95 Cb 0.45 -0.31 -0.17 0.00 -0.02 0.00 0.00 41.12 41.07 1h69 n ASP 95 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 1h69 s LEU 96 N -6.38 1.91 -0.18 0.64 2.96 -0.47 -1.62 118.68 115.54 1h69 s LEU 96 Ca -0.32 -0.51 -0.01 0.00 -0.22 0.00 0.00 54.13 53.08 1h69 s LEU 96 Cb 0.08 -1.25 0.01 0.00 0.50 0.00 0.00 46.19 45.53 1h69 s LEU 96 CO 0.58 0.06 -0.14 -0.69 -1.32 0.00 0.00 176.35 174.83 1h69 s VAL 97 N 0.85 2.60 -0.17 1.68 1.01 -0.34 -0.09 120.40 125.93 1h69 s VAL 97 Ca -0.08 -0.77 -0.05 0.00 0.00 0.00 0.00 61.98 61.08 1h69 s VAL 97 Cb -0.15 -2.12 -0.03 0.00 0.00 0.00 0.00 36.38 34.07 1h69 s VAL 97 CO -0.01 0.50 0.00 -0.63 0.00 0.00 0.00 175.10 174.97 1h69 s ILE 98 N 1.18 4.19 -0.36 2.22 1.01 0.72 -1.68 121.20 128.48 1h69 s ILE 98 Ca 0.02 -0.25 -0.06 0.00 0.00 0.00 0.00 60.65 60.36 1h69 s ILE 98 Cb -0.14 -2.87 0.05 0.00 0.01 0.00 0.00 42.46 39.51 1h69 s ILE 98 CO -0.06 0.47 0.13 -0.36 0.00 0.00 0.00 174.94 175.12 1h69 s PHE 99 N 0.52 3.29 -0.31 3.97 0.08 -0.49 0.25 117.98 125.29 1h69 s PHE 99 Ca -0.01 -1.54 -0.09 0.00 0.12 0.00 0.00 56.93 55.41 1h69 s PHE 99 Cb -0.14 -2.45 -0.00 0.00 -0.57 0.00 0.00 43.02 39.86 1h69 s PHE 99 CO 0.02 -0.77 0.14 -1.14 -0.10 0.00 0.00 175.22 173.37 1h69 s GLN 100 N 1.38 3.24 0.07 0.44 2.00 -0.25 -0.40 119.66 126.13 1h69 s GLN 100 Ca -0.00 -0.78 -0.26 0.00 -2.00 0.00 0.00 55.36 52.31 1h69 s GLN 100 Cb -0.20 -3.53 0.07 0.00 0.80 0.00 0.00 33.01 30.14 1h69 s GLN 100 CO 0.02 -0.44 0.63 -0.59 -0.50 0.00 0.00 175.29 174.41 1h69 s PHE 101 N 1.58 -0.59 0.13 1.67 -0.71 -0.98 -1.60 117.98 117.48 1h69 s PHE 101 Ca 0.04 0.68 -0.23 0.00 -1.04 0.00 0.00 56.93 56.38 1h69 s PHE 101 Cb -0.17 0.49 -0.07 0.00 -1.21 0.00 0.00 43.02 42.05 1h69 s PHE 101 CO 0.05 -0.74 0.71 -1.25 -1.34 0.00 0.00 175.22 172.65 1h69 s PRO 102 N -2.60 4.44 0.17 1.99 0.04 -1.26 -2.66 135.00 135.12 1h69 s PRO 102 Ca -0.04 1.01 -0.31 0.00 0.04 0.00 0.00 61.00 61.70 1h69 s PRO 102 Cb -0.01 -3.26 -0.09 0.00 0.04 0.00 0.00 34.50 31.18 1h69 s PRO 102 CO -0.03 0.58 1.45 -1.17 0.04 0.00 0.00 177.00 177.88 1h69 s LEU 103 N -1.09 4.38 -0.10 -3.56 2.96 0.02 -4.47 118.68 116.82 1h69 s LEU 103 Ca 0.34 2.50 -0.01 0.00 -0.22 0.00 0.00 54.13 56.74 1h69 s LEU 103 Cb -0.22 -3.60 0.03 0.00 0.50 0.00 0.00 46.19 42.90 1h69 s LEU 103 CO 0.24 -0.71 -0.04 -1.10 -1.32 0.00 0.00 176.35 173.42 1h69 s GLN 104 N 0.70 1.14 -1.26 1.98 -0.21 -0.22 -4.79 119.66 116.99 1h69 s GLN 104 Ca 0.65 -0.10 -0.15 0.00 0.02 0.00 0.00 55.36 55.77 1h69 s GLN 104 Cb -0.40 -1.33 0.00 0.00 1.00 0.00 0.00 33.01 32.28 1h69 s GLN 104 CO 0.34 -0.28 0.61 0.91 -2.12 0.00 0.00 175.29 174.75 1h69 n TRP 105 N 5.02 -1.72 -3.07 0.91 7.02 -1.26 -1.57 117.44 122.77 1h69 n TRP 105 Ca -0.10 0.51 -0.19 0.00 -1.02 0.00 0.00 57.50 56.69 1h69 n TRP 105 Cb 0.50 -3.43 -0.00 0.00 -2.42 0.00 0.00 31.31 25.95 1h69 n TRP 105 CO 0.00 0.00 0.00 1.19 -2.02 0.00 0.00 177.69 176.86 1h69 n PHE 106 N -4.41 -1.70 -3.23 -5.99 3.01 -1.26 -4.89 117.46 98.99 1h69 n PHE 106 Ca -0.18 0.32 -0.01 0.00 1.01 0.00 0.00 57.45 58.59 1h69 n PHE 106 Cb 0.63 -2.81 0.00 0.00 -0.01 0.00 0.00 39.48 37.29 1h69 n PHE 106 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1h69 n GLY 107 N -1.04 1.65 3.82 1.37 0.00 -0.61 -4.93 105.19 105.44 1h69 n GLY 107 Ca -0.05 -1.02 -0.33 0.00 0.00 0.00 0.00 46.02 44.62 1h69 n GLY 107 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1h69 s VAL 108 N -2.75 4.09 0.67 1.61 -7.23 -1.26 -1.06 120.40 114.46 1h69 s VAL 108 Ca 0.03 1.07 -0.17 0.00 -1.81 0.00 0.00 61.98 61.10 1h69 s VAL 108 Cb -0.01 -3.52 0.00 0.00 0.56 0.00 0.00 36.38 33.41 1h69 s VAL 108 CO 0.02 -0.51 1.25 -2.84 -0.31 0.00 0.00 175.10 172.71 1h69 s PRO 109 N -3.86 2.48 0.31 4.82 0.02 -1.26 -4.69 135.00 132.83 1h69 s PRO 109 Ca 0.63 1.92 0.07 0.00 0.02 0.00 0.00 61.00 63.64 1h69 s PRO 109 Cb -0.13 -1.85 0.79 0.00 0.02 0.00 0.00 34.50 33.32 1h69 s PRO 109 CO 0.30 -1.61 1.78 0.00 -0.33 0.00 0.00 177.00 177.13 1h69 h ALA 110 N 0.32 1.74 -0.10 -1.55 0.00 -1.94 0.28 119.26 118.00 1h69 h ALA 110 Ca -0.50 0.08 -0.05 0.00 0.00 0.00 0.00 54.91 54.44 1h69 h ALA 110 Cb 1.32 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 19.03 1h69 h ALA 110 CO 0.52 -0.11 -0.15 0.97 0.00 0.00 0.00 179.25 180.48 1h69 h ILE 111 N 0.72 1.16 0.23 0.00 2.10 -1.95 0.15 117.51 119.93 1h69 h ILE 111 Ca 0.58 -0.74 -0.33 0.00 1.08 0.00 0.00 64.86 65.45 1h69 h ILE 111 Cb 0.96 1.25 0.03 0.00 -1.09 0.00 0.00 36.82 37.98 1h69 h ILE 111 CO -0.37 0.23 -1.44 0.25 -1.08 0.00 0.00 178.15 175.73 1h69 h LEU 112 N 0.16 0.77 -0.52 2.19 6.46 -1.41 -2.72 115.31 120.23 1h69 h LEU 112 Ca 0.03 -0.82 -0.01 0.00 -0.12 0.00 0.00 57.88 56.96 1h69 h LEU 112 Cb 0.36 -0.25 -0.02 0.00 -0.73 0.00 0.00 40.66 40.02 1h69 h LEU 112 CO 0.02 1.64 0.28 0.50 -0.62 0.00 0.00 178.44 180.26 1h69 h LYS 113 N 0.13 0.73 -0.01 1.25 1.63 -0.46 -1.86 116.57 117.99 1h69 h LYS 113 Ca -0.23 -0.09 -0.03 0.00 -0.85 0.00 0.00 60.65 59.45 1h69 h LYS 113 Cb 2.14 -0.14 -0.00 0.00 -0.60 0.00 0.00 32.23 33.62 1h69 h LYS 113 CO 0.26 0.58 -0.13 0.78 -3.45 0.00 0.00 179.45 177.49 1h69 h GLY 114 N 0.69 0.01 0.90 5.01 0.00 -0.78 -1.59 103.07 107.33 1h69 h GLY 114 Ca 0.18 -0.01 -0.04 0.00 0.00 0.00 0.00 47.33 47.46 1h69 h GLY 114 CO -0.03 0.01 0.04 -0.25 0.00 0.00 0.00 176.54 176.31 1h69 h TRP 115 N 0.01 0.59 -0.34 5.60 7.01 -1.03 -1.18 115.95 126.62 1h69 h TRP 115 Ca 0.00 -0.09 -0.02 0.00 2.11 0.00 0.00 58.89 60.90 1h69 h TRP 115 Cb 0.24 -0.16 -0.02 0.00 -2.10 0.00 0.00 29.16 27.12 1h69 h TRP 115 CO 0.00 0.64 0.15 0.74 -2.79 0.00 0.00 178.44 177.18 1h69 h PHE 116 N 0.38 0.51 -0.81 2.65 0.04 -0.86 -0.39 116.94 118.47 1h69 h PHE 116 Ca 0.10 -0.03 -0.00 0.00 2.80 0.00 0.00 57.97 60.83 1h69 h PHE 116 Cb 0.37 -0.16 -0.04 0.00 2.20 0.00 0.00 35.95 38.33 1h69 h PHE 116 CO 0.03 0.46 0.49 0.93 -0.60 0.00 0.00 178.31 179.62 1h69 h GLU 117 N 0.41 1.09 0.00 1.51 5.08 -1.16 0.10 114.58 121.62 1h69 h GLU 117 Ca 0.12 -0.10 -0.25 0.00 -1.00 0.00 0.00 59.36 58.13 1h69 h GLU 117 Cb 0.15 -0.23 -0.04 0.00 0.50 0.00 0.00 28.75 29.13 1h69 h GLU 117 CO -0.01 0.76 -1.41 0.00 -1.00 0.00 0.00 179.01 177.35 1h69 h ARG 118 N 1.10 0.00 0.07 2.33 3.08 -1.20 -3.40 114.38 116.37 1h69 h ARG 118 Ca 0.29 0.00 -0.35 0.00 0.07 0.00 0.00 59.98 59.99 1h69 h ARG 118 Cb -0.05 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 29.96 1h69 h ARG 118 CO -0.06 0.68 -2.02 0.28 -1.07 0.00 0.00 179.97 177.78 1h69 n VAL 119 N -3.16 1.68 -1.94 2.04 0.31 -0.16 -4.53 118.33 112.56 1h69 n VAL 119 Ca -0.10 -0.69 -0.42 0.00 -0.01 0.00 0.00 64.34 63.12 1h69 n VAL 119 Cb 1.00 -1.45 0.00 0.00 -0.91 0.00 0.00 33.84 32.48 1h69 n VAL 119 CO 0.00 0.00 0.00 0.49 -1.32 0.00 0.00 176.83 176.00 1h69 n PHE 120 N -3.30 3.21 -2.70 3.52 3.01 0.02 -4.82 117.46 116.40 1h69 n PHE 120 Ca -0.30 -2.91 -0.33 0.00 1.01 0.00 0.00 57.45 54.92 1h69 n PHE 120 Cb 1.05 -2.30 -0.06 0.00 -0.01 0.00 0.00 39.48 38.16 1h69 n PHE 120 CO 0.00 0.00 0.00 0.42 1.01 0.00 0.00 176.76 178.19 1h69 s ILE 121 N 1.93 4.34 0.78 4.37 -1.09 -1.26 -4.78 121.20 125.49 1h69 s ILE 121 Ca 0.46 1.39 -0.14 0.00 -2.23 0.00 0.00 60.65 60.12 1h69 s ILE 121 Cb 0.13 -3.60 0.04 0.00 -1.58 0.00 0.00 42.46 37.44 1h69 s ILE 121 CO -0.05 -0.38 0.97 0.61 -1.23 0.00 0.00 174.94 174.85 1h69 n GLY 122 N -0.78 -0.53 4.59 6.18 0.00 -1.26 -1.08 105.19 112.31 1h69 n GLY 122 Ca 0.07 -0.45 0.00 0.00 0.00 0.00 0.00 46.02 45.64 1h69 n GLY 122 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1h69 n GLU 123 N -2.35 0.00 0.03 1.61 4.07 0.40 -4.52 120.64 119.89 1h69 n GLU 123 Ca 0.12 0.00 -0.08 0.00 -0.06 0.00 0.00 57.16 57.14 1h69 n GLU 123 Cb 0.50 -0.02 -0.06 0.00 -0.06 0.00 0.00 31.44 31.80 1h69 n GLU 123 CO 0.00 0.00 0.00 0.35 -0.06 0.00 0.00 177.13 177.42 1h69 h PHE 124 N 0.00 -0.18 0.00 4.31 3.57 -1.87 -3.39 116.94 119.38 1h69 h PHE 124 Ca 0.00 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.50 1h69 h PHE 124 Cb 0.00 0.06 0.00 0.00 2.79 0.00 0.00 35.95 38.80 1h69 h PHE 124 CO 0.00 0.19 -1.21 0.00 -2.23 0.00 0.00 178.31 175.05 1h69 n ALA 125 N -2.65 4.03 -3.64 2.41 0.00 -0.24 -4.81 120.51 115.60 1h69 n ALA 125 Ca -0.06 -0.54 -0.05 0.00 0.00 0.00 0.00 53.44 52.80 1h69 n ALA 125 Cb 0.22 -0.81 -0.01 0.00 0.00 0.00 0.00 19.45 18.84 1h69 n ALA 125 CO 0.00 0.00 0.00 1.52 0.00 0.00 0.00 177.50 179.02 1h69 s TYR 126 N -3.15 -0.19 -0.17 0.00 1.13 -1.26 -4.37 117.35 109.33 1h69 s TYR 126 Ca 0.04 -0.02 -0.14 0.00 -1.41 0.00 0.00 57.07 55.54 1h69 s TYR 126 Cb 0.15 0.59 0.05 0.00 -1.10 0.00 0.00 41.96 41.65 1h69 s TYR 126 CO 0.86 -0.62 0.45 0.95 -2.51 0.00 0.00 175.55 174.68 1h69 s THR 127 N -3.07 -0.01 0.46 -3.49 -4.23 -1.26 0.15 115.64 104.19 1h69 s THR 127 Ca 0.10 0.03 0.11 0.00 -1.18 0.00 0.00 61.69 60.75 1h69 s THR 127 Cb -0.00 -0.64 0.26 0.00 1.34 0.00 0.00 72.50 73.45 1h69 s THR 127 CO -0.03 0.01 2.09 1.88 -0.54 0.00 0.00 174.62 178.03 1h69 h TYR 128 N 6.01 0.27 0.00 3.99 0.05 -1.99 -1.10 116.97 124.20 1h69 h TYR 128 Ca -0.30 0.00 -0.02 0.00 0.05 0.00 0.00 58.73 58.46 1h69 h TYR 128 Cb 1.18 -0.09 -0.00 0.00 1.01 0.00 0.00 36.73 38.83 1h69 h TYR 128 CO 0.34 0.19 -0.09 0.00 -1.05 0.00 0.00 178.16 177.55 1h69 h ALA 129 N 1.85 1.03 -2.02 3.88 0.00 -1.97 -3.31 119.26 118.72 1h69 h ALA 129 Ca 0.08 -0.08 -0.50 0.00 0.00 0.00 0.00 54.91 54.41 1h69 h ALA 129 Cb 0.00 -0.01 -0.40 0.00 0.00 0.00 0.00 17.79 17.38 1h69 h ALA 129 CO -0.01 0.11 -1.14 0.00 0.00 0.00 0.00 179.25 178.20 1h69 n ALA 130 N -2.15 2.27 -1.44 0.00 0.00 -0.45 -5.10 120.51 113.63 1h69 n ALA 130 Ca 0.00 -3.50 -0.29 0.00 0.00 0.00 0.00 53.44 49.65 1h69 n ALA 130 Cb 0.33 -0.90 0.15 0.00 0.00 0.00 0.00 19.45 19.04 1h69 n ALA 130 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 1h69 s MET 131 N -2.28 0.86 1.27 0.00 1.00 -0.96 -2.24 119.30 116.96 1h69 s MET 131 Ca 0.40 0.31 0.00 0.00 0.00 0.00 0.00 55.69 56.39 1h69 s MET 131 Cb 0.31 -1.81 0.00 0.00 0.00 0.00 0.00 34.83 33.34 1h69 s MET 131 CO -0.09 -2.39 0.00 0.66 0.00 0.00 0.00 175.02 173.20 1h69 n TYR 132 N -3.90 0.00 0.29 -0.03 4.01 -0.52 -1.89 117.16 115.12 1h69 n TYR 132 Ca 0.07 0.00 0.11 0.00 -0.16 0.00 0.00 57.90 57.92 1h69 n TYR 132 Cb 0.59 0.00 0.60 0.00 -0.31 0.00 0.00 39.34 40.22 1h69 n TYR 132 CO 0.00 0.00 0.00 0.38 -0.46 0.00 0.00 176.86 176.78 1h69 h ASP 133 N 0.00 0.00 0.02 7.72 3.04 -1.86 0.48 116.42 125.82 1h69 h ASP 133 Ca 0.00 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.79 1h69 h ASP 133 Cb 0.00 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 38.29 1h69 h ASP 133 CO 0.00 0.00 -0.07 0.29 -2.04 0.00 0.00 179.24 177.42 1h69 n LYS 134 N -2.62 1.70 -0.50 4.15 5.02 -0.79 -4.81 118.16 120.31 1h69 n LYS 134 Ca -0.01 -1.16 -0.28 0.00 -2.02 0.00 0.00 58.31 54.83 1h69 n LYS 134 Cb 0.44 -1.48 0.26 0.00 -0.02 0.00 0.00 35.03 34.24 1h69 n LYS 134 CO 0.00 0.00 0.00 0.20 -0.52 0.00 0.00 177.40 177.08 1h69 s GLY 135 N -2.10 1.52 0.45 0.72 0.00 0.17 -4.76 107.32 103.32 1h69 s GLY 135 Ca 0.32 -0.25 0.13 0.00 0.00 0.00 0.00 44.72 44.92 1h69 s GLY 135 CO 0.37 0.53 2.04 -2.55 0.00 0.00 0.00 173.10 173.48 1h69 h PRO 136 N -2.81 0.34 -0.72 2.90 0.11 -1.73 -2.90 132.00 127.18 1h69 h PRO 136 Ca -0.61 -0.02 -0.22 0.00 0.11 0.00 0.00 66.00 65.26 1h69 h PRO 136 Cb 1.34 -0.08 -0.13 0.00 0.11 0.00 0.00 31.00 32.24 1h69 h PRO 136 CO 0.48 0.22 0.27 1.19 -0.21 0.00 0.00 178.00 179.95 1h69 n PHE 137 N -4.48 2.40 0.29 0.65 3.72 -0.24 -4.56 117.46 115.25 1h69 n PHE 137 Ca 0.05 -1.24 0.14 0.00 -0.05 0.00 0.00 57.45 56.36 1h69 n PHE 137 Cb 0.24 -0.68 0.68 0.00 -0.94 0.00 0.00 39.48 38.78 1h69 n PHE 137 CO 0.00 0.00 0.00 0.07 -0.05 0.00 0.00 176.76 176.78 1h69 h ARG 138 N 2.52 0.00 -0.16 -1.08 0.11 -1.43 -0.22 114.38 114.12 1h69 h ARG 138 Ca 0.27 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.35 1h69 h ARG 138 Cb 2.32 0.00 0.00 0.00 1.11 0.00 0.00 29.97 33.40 1h69 h ARG 138 CO 0.73 0.00 0.00 0.43 0.10 0.00 0.00 179.97 181.23 1h69 n SER 139 N -2.51 2.21 -4.72 0.08 7.64 -1.26 -4.73 113.62 110.33 1h69 n SER 139 Ca -0.00 -1.77 -0.24 0.00 1.01 0.00 0.00 58.87 57.87 1h69 n SER 139 Cb 0.15 -0.09 -0.07 0.00 -1.01 0.00 0.00 64.21 63.18 1h69 n SER 139 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 1h69 s LYS 140 N -1.81 2.24 0.00 1.43 1.02 -0.10 -4.97 119.74 117.55 1h69 s LYS 140 Ca 0.34 -1.74 0.03 0.00 0.02 0.00 0.00 55.97 54.62 1h69 s LYS 140 Cb 0.20 -2.03 -0.01 0.00 -0.52 0.00 0.00 37.83 35.47 1h69 s LYS 140 CO 0.30 -0.01 -0.11 0.15 -0.92 0.00 0.00 175.35 174.76 1h69 s LYS 141 N -3.86 0.84 0.08 1.68 1.02 -0.64 -2.10 119.74 116.76 1h69 s LYS 141 Ca 0.39 -0.45 0.07 0.00 0.02 0.00 0.00 55.97 56.00 1h69 s LYS 141 Cb 0.01 -0.81 -0.03 0.00 -0.52 0.00 0.00 37.83 36.49 1h69 s LYS 141 CO 0.22 0.22 -0.18 0.00 -0.92 0.00 0.00 175.35 174.69 1h69 s ALA 142 N -0.40 1.54 -0.00 5.17 0.00 0.28 -1.20 121.76 127.15 1h69 s ALA 142 Ca 0.03 -1.09 0.00 0.00 0.00 0.00 0.00 51.96 50.90 1h69 s ALA 142 Cb -0.05 -0.21 0.00 0.00 0.00 0.00 0.00 23.12 22.86 1h69 s ALA 142 CO -0.00 0.29 -0.00 0.08 0.00 0.00 0.00 175.76 176.13 1h69 s VAL 143 N -1.09 0.01 -0.20 0.00 1.01 -0.68 -0.80 120.40 118.66 1h69 s VAL 143 Ca 0.04 -0.00 -0.08 0.00 0.00 0.00 0.00 61.98 61.94 1h69 s VAL 143 Cb -0.10 -0.03 -0.04 0.00 0.00 0.00 0.00 36.38 36.22 1h69 s VAL 143 CO 0.03 0.01 0.07 -0.76 0.00 0.00 0.00 175.10 174.45 1h69 s LEU 144 N 0.03 3.79 -0.35 3.92 1.43 -1.26 -1.39 118.68 124.85 1h69 s LEU 144 Ca -0.00 0.05 -0.01 0.00 -1.03 0.00 0.00 54.13 53.13 1h69 s LEU 144 Cb -0.01 -1.97 0.08 0.00 0.03 0.00 0.00 46.19 44.32 1h69 s LEU 144 CO -0.00 0.14 0.08 -0.55 0.23 0.00 0.00 176.35 176.25 1h69 s SER 145 N 0.58 5.00 0.08 2.29 0.15 0.46 -0.59 113.70 121.68 1h69 s SER 145 Ca 0.04 -1.68 0.06 0.00 0.70 0.00 0.00 55.95 55.06 1h69 s SER 145 Cb -0.13 -1.74 -0.04 0.00 -1.71 0.00 0.00 66.02 62.40 1h69 s SER 145 CO 0.01 -0.38 -0.09 -0.63 1.20 0.00 0.00 173.24 173.35 1h69 s ILE 146 N 1.16 3.42 0.01 6.45 1.01 0.16 -2.32 121.20 131.09 1h69 s ILE 146 Ca 0.02 -1.15 0.07 0.00 0.00 0.00 0.00 60.65 59.60 1h69 s ILE 146 Cb -0.21 -2.57 -0.02 0.00 0.01 0.00 0.00 42.46 39.67 1h69 s ILE 146 CO -0.03 0.19 -0.23 0.42 0.00 0.00 0.00 174.94 175.29 1h69 s THR 147 N -1.16 1.80 0.25 2.92 -4.23 -1.09 -0.39 115.64 113.75 1h69 s THR 147 Ca 0.20 -1.09 0.05 0.00 -1.18 0.00 0.00 61.69 59.68 1h69 s THR 147 Cb -0.11 -1.52 -0.05 0.00 1.34 0.00 0.00 72.50 72.15 1h69 s THR 147 CO 0.12 0.41 -0.04 0.42 -0.54 0.00 0.00 174.62 174.99 1h69 s THR 148 N -0.64 1.36 -0.04 3.99 -4.23 -0.43 -0.80 115.64 114.84 1h69 s THR 148 Ca 0.09 -2.08 -0.11 0.00 -1.18 0.00 0.00 61.69 58.40 1h69 s THR 148 Cb -0.09 -2.37 -0.31 0.00 1.34 0.00 0.00 72.50 71.07 1h69 s THR 148 CO 0.00 -0.34 0.70 1.23 -0.54 0.00 0.00 174.62 175.67 1h69 h GLY 149 N 2.39 0.47 -1.85 3.99 0.00 -1.90 -2.33 103.07 103.85 1h69 h GLY 149 Ca -0.39 -1.21 -0.48 0.00 0.00 0.00 0.00 47.33 45.26 1h69 h GLY 149 CO 0.66 1.06 0.37 -0.32 0.00 0.00 0.00 176.54 178.31 1h69 s GLY 150 N -5.08 2.22 0.85 4.60 0.00 -1.26 -3.90 107.32 104.75 1h69 s GLY 150 Ca -0.15 0.37 -0.11 0.00 0.00 0.00 0.00 44.72 44.83 1h69 s GLY 150 CO 0.86 0.68 1.09 -1.35 0.00 0.00 0.00 173.10 174.38 1h69 s SER 151 N -2.63 3.89 0.21 1.64 1.04 -1.26 -1.63 113.70 114.96 1h69 s SER 151 Ca 0.63 1.55 -0.09 0.00 0.48 0.00 0.00 55.95 58.51 1h69 s SER 151 Cb -0.13 -2.24 0.17 0.00 0.10 0.00 0.00 66.02 63.91 1h69 s SER 151 CO 0.29 -2.38 1.86 1.23 0.98 0.00 0.00 173.24 175.21 1h69 h GLY 152 N -1.37 1.15 1.49 7.32 0.00 -1.97 -2.71 103.07 106.97 1h69 h GLY 152 Ca -0.48 -0.47 0.04 0.00 0.00 0.00 0.00 47.33 46.42 1h69 h GLY 152 CO 0.54 0.46 0.25 1.48 0.00 0.00 0.00 176.54 179.27 1h69 h SER 153 N 1.09 0.29 0.29 0.19 4.64 -1.97 -0.09 113.55 117.99 1h69 h SER 153 Ca 0.29 -0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.59 1h69 h SER 153 Cb -0.05 -0.07 -0.00 0.00 -0.31 0.00 0.00 62.40 61.97 1h69 h SER 153 CO -0.05 0.20 -0.06 0.24 -0.87 0.00 0.00 176.83 176.29 1h69 h MET 154 N 0.34 0.00 -0.47 4.77 2.07 -1.85 -2.37 114.93 117.43 1h69 h MET 154 Ca 0.16 0.00 0.00 0.00 -2.07 0.00 0.00 59.70 57.79 1h69 h MET 154 Cb 0.20 0.00 0.00 0.00 -1.87 0.00 0.00 31.60 29.93 1h69 h MET 154 CO -0.04 0.06 0.00 0.66 1.07 0.00 0.00 176.91 178.66 1h69 n TYR 155 N -3.49 0.62 -1.82 -0.22 4.01 -0.08 -0.91 117.16 115.27 1h69 n TYR 155 Ca -0.02 -0.47 -0.30 0.00 -0.16 0.00 0.00 57.90 56.95 1h69 n TYR 155 Cb 0.18 -0.02 0.17 0.00 -0.31 0.00 0.00 39.34 39.36 1h69 n TYR 155 CO 0.00 0.00 0.00 -1.54 -0.46 0.00 0.00 176.86 174.86 1h69 s SER 156 N -1.02 3.25 0.48 7.72 1.04 -0.89 -1.65 113.70 122.63 1h69 s SER 156 Ca 0.32 0.46 0.20 0.00 0.48 0.00 0.00 55.95 57.41 1h69 s SER 156 Cb 0.17 -0.66 1.22 0.00 0.10 0.00 0.00 66.02 66.85 1h69 s SER 156 CO 0.22 -2.66 1.99 -0.07 0.98 0.00 0.00 173.24 173.70 1h69 h LEU 157 N -1.59 0.17 -3.06 2.42 3.38 -1.87 -2.04 115.31 112.73 1h69 h LEU 157 Ca -0.45 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.52 1h69 h LEU 157 Cb 1.27 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.99 1h69 h LEU 157 CO 0.46 0.10 0.00 0.00 0.09 0.00 0.00 178.44 179.08 1h69 n GLN 158 N -4.44 3.01 -2.50 1.13 0.00 -1.26 -4.61 117.38 108.71 1h69 n GLN 158 Ca 0.09 -2.46 -0.32 0.00 0.00 0.00 0.00 57.00 54.32 1h69 n GLN 158 Cb 0.48 -1.57 -0.03 0.00 0.00 0.00 0.00 30.24 29.12 1h69 n GLN 158 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.06 177.26 1h69 s GLY 159 N -1.33 2.03 0.38 2.61 0.00 -0.76 -4.96 107.32 105.30 1h69 s GLY 159 Ca 0.34 0.09 0.12 0.00 0.00 0.00 0.00 44.72 45.27 1h69 s GLY 159 CO 0.15 0.35 1.89 0.16 0.00 0.00 0.00 173.10 175.64 1h69 h ILE 160 N 0.95 0.81 0.00 0.90 3.07 -1.80 -1.61 117.51 119.83 1h69 h ILE 160 Ca -0.47 -0.20 -0.04 0.00 1.55 0.00 0.00 64.86 65.70 1h69 h ILE 160 Cb 1.19 0.18 -0.01 0.00 -0.27 0.00 0.00 36.82 37.91 1h69 h ILE 160 CO 0.62 0.11 -0.21 0.45 -1.05 0.00 0.00 178.15 178.07 1h69 h HIS 161 N 0.58 0.00 0.00 0.16 3.86 -1.38 -3.50 115.15 114.88 1h69 h HIS 161 Ca 0.42 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.63 1h69 h HIS 161 Cb 0.79 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.26 1h69 h HIS 161 CO -0.00 0.21 0.00 0.41 0.86 0.00 0.00 177.93 179.41 1h69 n GLY 162 N 0.18 0.54 3.68 2.45 0.00 -0.61 -4.95 105.19 106.49 1h69 n GLY 162 Ca 0.00 -1.95 -0.42 0.00 0.00 0.00 0.00 46.02 43.65 1h69 n GLY 162 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1h69 s ASP 163 N -0.69 6.47 0.54 1.61 2.15 -1.24 -4.19 116.67 121.32 1h69 s ASP 163 Ca 0.00 2.68 0.21 0.00 0.43 0.00 0.00 52.55 55.87 1h69 s ASP 163 Cb 0.00 -2.56 1.44 0.00 -0.30 0.00 0.00 42.92 41.51 1h69 s ASP 163 CO 0.00 -0.99 2.17 -0.03 -0.17 0.00 0.00 175.17 176.14 1h69 h MET 164 N 8.98 0.00 -0.76 4.34 1.85 -1.61 -1.98 114.93 125.75 1h69 h MET 164 Ca -0.46 0.00 0.05 0.00 -0.61 0.00 0.00 59.70 58.68 1h69 h MET 164 Cb 1.22 0.00 -0.05 0.00 0.43 0.00 0.00 31.60 33.20 1h69 h MET 164 CO 0.94 0.03 0.50 -0.91 -0.40 0.00 0.00 176.91 177.07 1h69 h ASN 165 N 0.00 0.76 -0.37 1.39 2.35 -1.90 -1.24 115.58 116.57 1h69 h ASN 165 Ca -0.00 -0.00 -0.09 0.00 -0.55 0.00 0.00 56.30 55.65 1h69 h ASN 165 Cb 0.06 -0.17 -0.01 0.00 0.05 0.00 0.00 38.32 38.25 1h69 h ASN 165 CO 0.00 0.51 -0.13 0.58 -1.65 0.00 0.00 177.43 176.74 1h69 h VAL 166 N 0.87 1.28 -0.86 2.81 2.07 -1.75 -2.26 116.25 118.41 1h69 h VAL 166 Ca 0.32 -1.24 -0.02 0.00 0.82 0.00 0.00 66.70 66.58 1h69 h VAL 166 Cb 0.15 1.30 -0.04 0.00 -1.52 0.00 0.00 31.29 31.18 1h69 h VAL 166 CO -0.10 0.41 0.45 0.40 0.02 0.00 0.00 177.57 178.75 1h69 h ILE 167 N 0.54 1.26 -0.16 4.57 2.04 -1.42 -2.95 117.51 121.40 1h69 h ILE 167 Ca 0.09 -0.67 -0.14 0.00 1.00 0.00 0.00 64.86 65.14 1h69 h ILE 167 Cb 0.67 0.12 -0.01 0.00 -0.74 0.00 0.00 36.82 36.85 1h69 h ILE 167 CO 0.05 0.30 -0.49 -0.07 0.00 0.00 0.00 178.15 177.93 1h69 h LEU 168 N 1.21 0.45 -0.45 1.44 3.38 -1.18 -3.37 115.31 116.80 1h69 h LEU 168 Ca 0.30 -0.22 0.05 0.00 0.09 0.00 0.00 57.88 58.10 1h69 h LEU 168 Cb 0.07 -0.13 -0.07 0.00 0.09 0.00 0.00 40.66 40.62 1h69 h LEU 168 CO -0.04 0.87 -0.43 -0.25 0.09 0.00 0.00 178.44 178.67 1h69 h TRP 169 N 0.33 -1.35 -0.45 1.13 2.91 -1.22 -0.68 115.95 116.63 1h69 h TRP 169 Ca 0.02 0.07 0.13 0.00 1.13 0.00 0.00 58.89 60.24 1h69 h TRP 169 Cb 0.98 0.65 -0.02 0.00 -0.51 0.00 0.00 29.16 30.26 1h69 h TRP 169 CO 0.03 -0.35 0.41 -1.00 -1.03 0.00 0.00 178.44 176.50 1h69 h PRO 170 N -0.21 0.00 0.00 2.65 0.13 -1.73 0.21 132.00 133.05 1h69 h PRO 170 Ca 0.08 0.00 -0.10 0.00 -0.87 0.00 0.00 66.00 65.10 1h69 h PRO 170 Cb 0.41 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.52 1h69 h PRO 170 CO -0.53 0.00 -0.68 0.82 -0.23 0.00 0.00 178.00 177.38 1h69 h ILE 171 N 0.00 0.76 -0.51 -3.56 2.04 -1.59 -3.05 117.51 111.61 1h69 h ILE 171 Ca 0.21 -1.79 -0.12 0.00 1.00 0.00 0.00 64.86 64.16 1h69 h ILE 171 Cb 1.03 1.65 -0.02 0.00 -0.74 0.00 0.00 36.82 38.75 1h69 h ILE 171 CO -0.00 0.26 -0.16 1.56 0.00 0.00 0.00 178.15 179.80 1h69 h GLN 172 N -1.00 0.99 0.00 2.37 4.20 -0.94 -1.93 115.11 118.81 1h69 h GLN 172 Ca -0.15 -0.39 -0.09 0.00 0.06 0.00 0.00 58.65 58.07 1h69 h GLN 172 Cb 0.90 -0.05 -0.01 0.00 0.30 0.00 0.00 27.48 28.61 1h69 h GLN 172 CO -0.09 1.07 -0.61 1.03 -0.67 0.00 0.00 178.83 179.56 1h69 h SER 173 N 0.87 0.00 -0.67 1.46 0.87 -0.80 -0.69 113.55 114.59 1h69 h SER 173 Ca 0.12 -0.40 -0.05 0.00 -1.23 0.00 0.00 61.79 60.24 1h69 h SER 173 Cb 0.73 0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 62.66 1h69 h SER 173 CO 0.06 1.04 0.22 1.23 -0.53 0.00 0.00 176.83 178.86 1h69 h GLY 174 N -1.00 1.11 0.00 5.77 0.00 -1.53 -1.05 103.07 106.36 1h69 h GLY 174 Ca -0.13 -0.64 0.00 0.00 0.00 0.00 0.00 47.33 46.56 1h69 h GLY 174 CO -0.08 0.60 -0.61 1.39 0.00 0.00 0.00 176.54 177.84 1h69 n ILE 175 N -4.35 1.23 0.38 2.60 5.41 -0.79 -4.26 119.36 119.58 1h69 n ILE 175 Ca 0.05 0.23 -0.15 0.00 1.00 0.00 0.00 62.75 63.88 1h69 n ILE 175 Cb 0.21 -2.24 -0.07 0.00 -0.71 0.00 0.00 39.64 36.82 1h69 n ILE 175 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 176.55 176.48 1h69 h LEU 176 N -0.85 -0.84 -1.05 1.39 3.38 -1.48 -3.21 115.31 112.64 1h69 h LEU 176 Ca 0.00 0.03 -0.10 0.00 0.09 0.00 0.00 57.88 57.90 1h69 h LEU 176 Cb 0.61 0.22 -0.01 0.00 0.09 0.00 0.00 40.66 41.57 1h69 h LEU 176 CO 0.00 -0.47 -0.43 -0.74 0.09 0.00 0.00 178.44 176.89 1h69 h HIS 177 N -1.27 0.11 -0.59 1.13 2.76 -1.08 -2.54 115.15 113.68 1h69 h HIS 177 Ca -0.10 -0.03 0.09 0.00 -2.20 0.00 0.00 60.37 58.12 1h69 h HIS 177 Cb 0.76 -0.03 -0.04 0.00 1.55 0.00 0.00 27.41 29.66 1h69 h HIS 177 CO 0.00 0.51 0.39 0.35 -1.30 0.00 0.00 177.93 177.88 1h69 h PHE 178 N 0.08 0.47 -0.34 5.26 3.04 -1.28 0.68 116.94 124.86 1h69 h PHE 178 Ca 0.00 0.01 0.00 0.00 3.98 0.00 0.00 57.97 61.97 1h69 h PHE 178 Cb 0.79 -0.15 0.00 0.00 2.56 0.00 0.00 35.95 39.15 1h69 h PHE 178 CO 0.01 0.23 0.00 0.00 -2.02 0.00 0.00 178.31 176.53 1h69 n GLY 180 N 0.91 2.72 3.63 0.00 0.00 0.23 -1.08 105.19 111.61 1h69 n GLY 180 Ca 0.12 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.70 1h69 n GLY 180 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1h69 n PHE 181 N -2.00 1.65 -3.11 1.61 3.72 -0.98 -3.06 117.46 115.29 1h69 n PHE 181 Ca 0.00 0.64 -0.40 0.00 -0.05 0.00 0.00 57.45 57.63 1h69 n PHE 181 Cb 0.00 -2.32 -0.06 0.00 -0.94 0.00 0.00 39.48 36.16 1h69 n PHE 181 CO 0.00 0.00 0.00 -0.65 -0.05 0.00 0.00 176.76 176.06 1h69 s GLN 182 N -1.49 4.23 -0.26 -1.08 -0.21 -0.89 -4.22 119.66 115.74 1h69 s GLN 182 Ca 0.59 0.65 -0.10 0.00 0.02 0.00 0.00 55.36 56.52 1h69 s GLN 182 Cb -0.67 -3.57 -0.04 0.00 1.00 0.00 0.00 33.01 29.73 1h69 s GLN 182 CO 0.59 -0.22 0.15 0.08 -2.12 0.00 0.00 175.29 173.77 1h69 s VAL 183 N 1.84 5.07 0.52 1.09 1.01 -1.26 -0.56 120.40 128.12 1h69 s VAL 183 Ca 0.30 0.09 -0.05 0.00 0.00 0.00 0.00 61.98 62.31 1h69 s VAL 183 Cb -0.16 -3.39 -0.02 0.00 0.00 0.00 0.00 36.38 32.81 1h69 s VAL 183 CO 0.11 0.30 0.82 -0.76 0.00 0.00 0.00 175.10 175.57 1h69 s LEU 184 N 1.53 3.50 0.25 3.92 1.43 0.02 -0.62 118.68 128.71 1h69 s LEU 184 Ca 0.07 0.86 -0.30 0.00 -1.03 0.00 0.00 54.13 53.73 1h69 s LEU 184 Cb -0.15 -3.78 -0.14 0.00 0.03 0.00 0.00 46.19 42.15 1h69 s LEU 184 CO 0.08 -0.74 1.14 -0.62 0.23 0.00 0.00 176.35 176.44 1h69 n GLU 185 N -2.37 1.47 -2.54 1.70 1.02 -1.26 -4.61 120.64 114.04 1h69 n GLU 185 Ca 0.02 0.52 -0.39 0.00 -0.02 0.00 0.00 57.16 57.28 1h69 n GLU 185 Cb 0.56 -1.99 -0.05 0.00 -0.02 0.00 0.00 31.44 29.95 1h69 n GLU 185 CO 0.00 0.00 0.00 -1.25 1.18 0.00 0.00 177.13 177.06 1h69 s PRO 186 N -1.05 4.58 -0.46 3.49 0.04 -1.26 -4.70 135.00 135.63 1h69 s PRO 186 Ca 0.64 1.68 -0.25 0.00 0.04 0.00 0.00 61.00 63.11 1h69 s PRO 186 Cb -0.73 -3.06 0.03 0.00 0.04 0.00 0.00 34.50 30.78 1h69 s PRO 186 CO 0.56 0.19 0.90 -1.14 0.04 0.00 0.00 177.00 177.56 1h69 s GLN 187 N -1.63 3.51 -0.29 4.56 2.00 0.25 -4.99 119.66 123.06 1h69 s GLN 187 Ca 0.47 0.12 -0.07 0.00 -2.00 0.00 0.00 55.36 53.88 1h69 s GLN 187 Cb -0.29 -3.93 0.01 0.00 0.80 0.00 0.00 33.01 29.60 1h69 s GLN 187 CO 0.36 -1.21 0.07 -0.51 -0.50 0.00 0.00 175.29 173.51 1h69 s LEU 188 N 3.69 3.83 -0.39 3.68 1.43 -1.26 -0.66 118.68 129.00 1h69 s LEU 188 Ca 0.36 -0.73 -0.02 0.00 -1.03 0.00 0.00 54.13 52.71 1h69 s LEU 188 Cb -0.10 -1.87 0.10 0.00 0.03 0.00 0.00 46.19 44.35 1h69 s LEU 188 CO 0.26 -0.19 0.16 0.42 0.23 0.00 0.00 176.35 177.23 1h69 s THR 189 N 1.49 3.12 0.56 5.49 -4.23 0.48 -5.00 115.64 117.54 1h69 s THR 189 Ca 0.02 -2.03 -0.14 0.00 -1.18 0.00 0.00 61.69 58.36 1h69 s THR 189 Cb -0.17 -3.13 -0.06 0.00 1.34 0.00 0.00 72.50 70.48 1h69 s THR 189 CO 0.02 -0.63 0.99 -0.31 -0.54 0.00 0.00 174.62 174.16 1h69 s TYR 190 N 1.12 3.54 -0.86 3.99 2.02 -1.26 -1.31 117.35 124.58 1h69 s TYR 190 Ca 0.07 1.36 -0.04 0.00 -0.37 0.00 0.00 57.07 58.09 1h69 s TYR 190 Cb -0.22 -2.74 0.01 0.00 -0.40 0.00 0.00 41.96 38.61 1h69 s TYR 190 CO -0.04 -0.50 0.08 -1.13 -1.57 0.00 0.00 175.55 172.39 1h69 n SER 191 N -2.12 -0.07 0.16 2.29 3.41 -0.65 -4.76 113.62 111.89 1h69 n SER 191 Ca 0.06 -0.75 0.15 0.00 -0.26 0.00 0.00 58.87 58.07 1h69 n SER 191 Cb 0.54 -0.92 0.72 0.00 -0.26 0.00 0.00 64.21 64.28 1h69 n SER 191 CO 0.00 0.00 0.00 -0.29 -0.16 0.00 0.00 175.04 174.59 1h69 h ILE 192 N -0.55 0.76 0.00 -1.33 6.09 -1.64 0.19 117.51 121.03 1h69 h ILE 192 Ca -0.39 0.00 -0.03 0.00 -1.37 0.00 0.00 64.86 63.07 1h69 h ILE 192 Cb 0.82 0.87 -0.00 0.00 0.47 0.00 0.00 36.82 38.97 1h69 h ILE 192 CO 0.39 0.00 -0.16 1.23 -3.07 0.00 0.00 178.15 176.54 1h69 h GLY 193 N 0.00 0.00 -3.09 8.18 0.00 -1.86 -3.08 103.07 103.23 1h69 h GLY 193 Ca 0.11 0.00 -0.39 0.00 0.00 0.00 0.00 47.33 47.05 1h69 h GLY 193 CO -0.00 0.00 0.24 1.42 0.00 0.00 0.00 176.54 178.20 1h69 n HIS 194 N -3.34 2.16 -4.28 5.60 8.25 0.66 -4.96 115.22 119.32 1h69 n HIS 194 Ca 0.00 -1.91 -0.34 0.00 -0.26 0.00 0.00 57.72 55.22 1h69 n HIS 194 Cb 0.38 -0.76 -0.15 0.00 1.12 0.00 0.00 29.99 30.58 1h69 n HIS 194 CO 0.00 0.00 0.00 0.99 0.64 0.00 0.00 176.34 177.97 1h69 s THR 195 N -3.55 2.69 0.47 1.59 2.01 -1.17 -5.05 115.64 112.64 1h69 s THR 195 Ca 0.52 -0.74 -0.22 0.00 0.31 0.00 0.00 61.69 61.55 1h69 s THR 195 Cb 0.45 -2.16 -0.10 0.00 0.01 0.00 0.00 72.50 70.70 1h69 s THR 195 CO 0.04 0.50 0.84 -2.65 -0.69 0.00 0.00 174.62 172.66 1h69 n PRO 196 N 4.37 0.99 -0.26 4.92 -0.02 -1.26 -4.63 135.00 139.12 1h69 n PRO 196 Ca -0.19 0.36 0.06 0.00 -2.02 0.00 0.00 63.50 61.71 1h69 n PRO 196 Cb 0.51 -1.91 0.17 0.00 -0.02 0.00 0.00 33.50 32.26 1h69 n PRO 196 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1h69 h ALA 197 N 1.02 0.87 -0.05 3.55 0.00 -1.99 0.14 119.26 122.80 1h69 h ALA 197 Ca -0.44 0.22 -0.06 0.00 0.00 0.00 0.00 54.91 54.62 1h69 h ALA 197 Cb 1.36 0.36 -0.01 0.00 0.00 0.00 0.00 17.79 19.50 1h69 h ALA 197 CO 0.53 -0.41 -0.27 0.38 0.00 0.00 0.00 179.25 179.48 1h69 h ASP 198 N 0.15 0.08 -0.18 0.00 2.03 -2.00 -2.52 116.42 113.99 1h69 h ASP 198 Ca 0.42 -0.02 -0.19 0.00 -0.73 0.00 0.00 57.03 56.51 1h69 h ASP 198 Cb 0.75 -0.02 0.01 0.00 -0.83 0.00 0.00 39.33 39.24 1h69 h ASP 198 CO -0.62 0.35 -0.65 0.00 -1.03 0.00 0.00 179.24 177.30 1h69 h ALA 199 N 1.65 0.31 -0.85 4.15 0.00 -1.12 -2.76 119.26 120.65 1h69 h ALA 199 Ca 0.01 -0.55 0.03 0.00 0.00 0.00 0.00 54.91 54.40 1h69 h ALA 199 Cb 0.52 -0.03 -0.05 0.00 0.00 0.00 0.00 17.79 18.24 1h69 h ALA 199 CO 0.04 0.60 0.55 0.00 0.00 0.00 0.00 179.25 180.44 1h69 h ARG 200 N 0.47 1.05 -0.84 0.00 3.08 -0.95 0.76 114.38 117.95 1h69 h ARG 200 Ca -0.03 -0.06 0.00 0.00 0.07 0.00 0.00 59.98 59.96 1h69 h ARG 200 Cb 1.27 -0.24 -0.04 0.00 0.08 0.00 0.00 29.97 31.05 1h69 h ARG 200 CO 0.14 0.69 0.54 0.82 -1.07 0.00 0.00 179.97 181.09 1h69 h ILE 201 N 1.08 1.22 0.00 2.04 1.08 -1.41 -1.70 117.51 119.82 1h69 h ILE 201 Ca 0.34 -0.42 -0.13 0.00 -0.39 0.00 0.00 64.86 64.26 1h69 h ILE 201 Cb -0.01 -0.00 -0.02 0.00 -3.07 0.00 0.00 36.82 33.72 1h69 h ILE 201 CO -0.11 0.22 -0.61 1.56 -0.69 0.00 0.00 178.15 178.52 1h69 h GLN 202 N 1.14 0.00 -0.60 2.37 1.08 -0.90 -2.38 115.11 115.83 1h69 h GLN 202 Ca 0.31 0.00 -0.10 0.00 -1.45 0.00 0.00 58.65 57.41 1h69 h GLN 202 Cb -0.11 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 27.30 1h69 h GLN 202 CO -0.06 0.61 -0.01 0.82 -0.95 0.00 0.00 178.83 179.24 1h69 h ILE 203 N 0.00 1.26 -0.20 2.54 2.04 -0.03 -0.29 117.51 122.83 1h69 h ILE 203 Ca -0.01 -1.15 -0.04 0.00 1.00 0.00 0.00 64.86 64.66 1h69 h ILE 203 Cb 1.11 0.81 -0.01 0.00 -0.74 0.00 0.00 36.82 37.99 1h69 h ILE 203 CO 0.08 0.42 -0.04 -0.07 0.00 0.00 0.00 178.15 178.54 1h69 h LEU 204 N 0.96 0.39 -0.86 1.44 3.38 -1.27 -2.14 115.31 117.20 1h69 h LEU 204 Ca 0.17 -0.36 -0.00 0.00 0.09 0.00 0.00 57.88 57.78 1h69 h LEU 204 Cb 0.56 -0.11 -0.04 0.00 0.09 0.00 0.00 40.66 41.16 1h69 h LEU 204 CO 0.03 0.65 0.53 -0.33 0.09 0.00 0.00 178.44 179.42 1h69 h GLU 205 N 0.11 1.16 -0.24 1.13 4.39 -1.30 -1.57 114.58 118.27 1h69 h GLU 205 Ca 0.05 -0.10 -0.03 0.00 0.34 0.00 0.00 59.36 59.63 1h69 h GLU 205 Cb 0.48 -0.25 -0.01 0.00 -0.10 0.00 0.00 28.75 28.87 1h69 h GLU 205 CO 0.02 0.80 0.02 0.78 -1.16 0.00 0.00 179.01 179.47 1h69 h GLY 206 N 1.18 0.37 1.17 -3.84 0.00 -0.92 -0.42 103.07 100.61 1h69 h GLY 206 Ca 0.31 -0.19 -0.22 0.00 0.00 0.00 0.00 47.33 47.23 1h69 h GLY 206 CO -0.06 0.18 -0.77 -0.25 0.00 0.00 0.00 176.54 175.64 1h69 h TRP 207 N 0.34 1.08 -0.59 5.60 -0.00 -0.71 -1.94 115.95 119.73 1h69 h TRP 207 Ca 0.08 -0.47 -0.07 0.00 -0.00 0.00 0.00 58.89 58.43 1h69 h TRP 207 Cb 0.20 -0.17 -0.02 0.00 -0.00 0.00 0.00 29.16 29.17 1h69 h TRP 207 CO 0.00 1.31 0.10 0.87 -0.00 0.00 0.00 178.44 180.72 1h69 h LYS 208 N 0.54 0.98 -0.61 2.65 1.57 -0.92 -2.32 116.57 118.47 1h69 h LYS 208 Ca -0.05 -0.26 -0.01 0.00 -1.87 0.00 0.00 60.65 58.46 1h69 h LYS 208 Cb 1.40 -0.11 -0.03 0.00 0.08 0.00 0.00 32.23 33.56 1h69 h LYS 208 CO 0.16 0.93 0.35 0.87 -0.57 0.00 0.00 179.45 181.18 1h69 h LYS 209 N 0.89 0.84 -0.71 3.15 1.79 -1.04 -2.85 116.57 118.64 1h69 h LYS 209 Ca 0.18 -0.09 -0.03 0.00 -2.18 0.00 0.00 60.65 58.53 1h69 h LYS 209 Cb 0.42 -0.17 -0.03 0.00 -1.58 0.00 0.00 32.23 30.87 1h69 h LYS 209 CO 0.01 0.63 0.31 -0.09 -1.08 0.00 0.00 179.45 179.23 1h69 h ARG 210 N 0.82 1.04 0.00 3.15 2.43 -1.12 -2.64 114.38 118.06 1h69 h ARG 210 Ca 0.22 -0.17 -0.00 0.00 -0.81 0.00 0.00 59.98 59.21 1h69 h ARG 210 Cb 0.02 -0.18 -0.00 0.00 -0.42 0.00 0.00 29.97 29.39 1h69 h ARG 210 CO -0.04 0.84 -0.01 -0.07 -1.51 0.00 0.00 179.97 179.18 1h69 h LEU 211 N 1.00 0.00 -2.68 3.80 3.38 -1.20 -2.33 115.31 117.28 1h69 h LEU 211 Ca 0.24 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.21 1h69 h LEU 211 Cb 0.17 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.92 1h69 h LEU 211 CO -0.02 0.01 -0.01 -0.33 0.09 0.00 0.00 178.44 178.18 1h69 h GLU 212 N 0.00 0.00 0.00 1.13 5.08 -1.25 -3.01 114.58 116.52 1h69 h GLU 212 Ca -0.00 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.32 1h69 h GLU 212 Cb 0.25 0.00 -0.10 0.00 0.50 0.00 0.00 28.75 29.40 1h69 h GLU 212 CO 0.00 0.01 -0.63 0.09 -1.00 0.00 0.00 179.01 177.48 1h69 n ASN 213 N -3.42 0.24 -0.35 1.42 3.02 -1.03 -4.92 115.26 110.22 1h69 n ASN 213 Ca -0.03 -2.00 0.10 0.00 -0.03 0.00 0.00 54.58 52.62 1h69 n ASN 213 Cb 0.09 -0.22 0.28 0.00 -0.61 0.00 0.00 39.78 39.32 1h69 n ASN 213 CO 0.00 0.00 0.00 -0.29 -2.62 0.00 0.00 177.26 174.35 1h69 h ILE 214 N 7.00 0.83 0.00 2.41 6.09 -1.29 -2.10 117.51 130.45 1h69 h ILE 214 Ca -0.06 -0.30 -0.01 0.00 -1.37 0.00 0.00 64.86 63.12 1h69 h ILE 214 Cb 1.52 -0.13 -0.00 0.00 0.47 0.00 0.00 36.82 38.68 1h69 h ILE 214 CO 0.02 0.16 -0.03 -0.25 -3.07 0.00 0.00 178.15 174.99 1h69 h TRP 215 N 0.89 0.00 -0.23 2.19 2.91 -1.90 -2.70 115.95 117.11 1h69 h TRP 215 Ca 0.52 0.00 0.00 0.00 1.13 0.00 0.00 58.89 60.54 1h69 h TRP 215 Cb 0.66 0.00 0.00 0.00 -0.51 0.00 0.00 29.16 29.31 1h69 h TRP 215 CO -0.00 0.03 0.00 -0.25 -1.03 0.00 0.00 178.44 177.19 1h69 n ASP 216 N -3.21 2.42 -4.79 2.65 8.00 -0.79 -4.97 116.55 115.87 1h69 n ASP 216 Ca -0.01 -1.83 -0.34 0.00 0.71 0.00 0.00 54.79 53.32 1h69 n ASP 216 Cb 0.21 -0.15 0.00 0.00 -0.02 0.00 0.00 41.12 41.16 1h69 n ASP 216 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 1h69 s GLU 217 N -1.70 3.37 0.01 -1.24 2.02 -1.02 -5.02 118.70 115.13 1h69 s GLU 217 Ca 0.34 1.42 -0.29 0.00 0.02 0.00 0.00 54.97 56.46 1h69 s GLU 217 Cb 0.20 -2.03 -0.04 0.00 0.10 0.00 0.00 34.13 32.37 1h69 s GLU 217 CO 0.29 -0.80 0.94 0.99 0.02 0.00 0.00 175.26 176.70 1h69 s THR 218 N -2.07 4.83 0.77 3.63 2.01 -1.26 -5.04 115.64 118.51 1h69 s THR 218 Ca 0.68 1.98 -0.10 0.00 0.31 0.00 0.00 61.69 64.57 1h69 s THR 218 Cb -0.20 -4.28 0.08 0.00 0.01 0.00 0.00 72.50 68.11 1h69 s THR 218 CO 0.30 0.20 1.11 -2.16 -0.69 0.00 0.00 174.62 173.38 1h69 s PRO 219 N 0.81 2.02 0.87 4.92 0.04 -1.26 -4.63 135.00 137.77 1h69 s PRO 219 Ca 0.49 -0.07 -0.10 0.00 0.04 0.00 0.00 61.00 61.36 1h69 s PRO 219 Cb -0.21 -2.04 0.12 0.00 0.04 0.00 0.00 34.50 32.40 1h69 s PRO 219 CO 0.27 -1.47 1.13 -0.51 0.04 0.00 0.00 177.00 176.46 1h69 s LEU 220 N -5.44 2.86 -0.15 -3.56 1.43 0.21 -4.30 118.68 109.72 1h69 s LEU 220 Ca 0.62 2.04 -0.12 0.00 -1.03 0.00 0.00 54.13 55.64 1h69 s LEU 220 Cb -0.11 -4.52 -0.05 0.00 0.03 0.00 0.00 46.19 41.55 1h69 s LEU 220 CO 0.47 -2.77 0.25 -0.47 0.23 0.00 0.00 176.35 174.07 1h69 s TYR 221 N -2.74 3.48 0.01 0.29 5.04 -1.26 -4.79 117.35 117.39 1h69 s TYR 221 Ca 0.65 0.56 0.03 0.00 -2.44 0.00 0.00 57.07 55.87 1h69 s TYR 221 Cb -0.21 -2.26 -0.01 0.00 0.35 0.00 0.00 41.96 39.83 1h69 s TYR 221 CO 0.57 0.33 -0.10 -0.06 -1.34 0.00 0.00 175.55 174.96 1h69 s PHE 222 N 0.17 0.89 0.29 4.97 0.08 -1.26 -4.92 117.98 118.19 1h69 s PHE 222 Ca 0.15 -0.26 -0.30 0.00 0.12 0.00 0.00 56.93 56.64 1h69 s PHE 222 Cb -0.13 -0.55 -0.11 0.00 -0.57 0.00 0.00 43.02 41.67 1h69 s PHE 222 CO 0.03 -0.01 1.49 0.00 -0.10 0.00 0.00 175.22 176.64 1h69 s ALA 223 N -0.57 3.66 0.45 5.36 0.00 -1.26 -4.94 121.76 124.45 1h69 s ALA 223 Ca 0.01 1.45 -0.24 0.00 0.00 0.00 0.00 51.96 53.18 1h69 s ALA 223 Cb -0.06 -3.59 -0.07 0.00 0.00 0.00 0.00 23.12 19.40 1h69 s ALA 223 CO 0.00 -0.87 1.23 -2.14 0.00 0.00 0.00 175.76 173.99 1h69 s PRO 224 N -0.76 3.77 0.25 0.00 0.02 -1.26 -4.88 135.00 132.14 1h69 s PRO 224 Ca 0.59 1.95 0.19 0.00 0.02 0.00 0.00 61.00 63.76 1h69 s PRO 224 Cb -0.45 -2.52 0.96 0.00 0.02 0.00 0.00 34.50 32.51 1h69 s PRO 224 CO 0.48 -0.59 1.59 -1.13 -0.33 0.00 0.00 177.00 177.02 1h69 n SER 225 N -0.31 0.50 0.20 2.53 3.41 -1.26 -1.81 113.62 116.87 1h69 n SER 225 Ca 0.06 0.69 0.14 0.00 -0.26 0.00 0.00 58.87 59.51 1h69 n SER 225 Cb 0.46 -0.77 0.61 0.00 -0.26 0.00 0.00 64.21 64.25 1h69 n SER 225 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 1h69 h SER 226 N 0.00 0.00 0.60 4.04 4.64 -2.00 -1.75 113.55 119.07 1h69 h SER 226 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1h69 h SER 226 Cb 0.13 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.22 1h69 h SER 226 CO 0.00 0.00 -0.05 0.18 -0.87 0.00 0.00 176.83 176.09 1h69 n LEU 227 N -2.59 0.13 -4.50 5.97 4.77 -0.75 -4.83 117.00 115.20 1h69 n LEU 227 Ca 0.01 0.25 -0.30 0.00 -0.03 0.00 0.00 56.01 55.94 1h69 n LEU 227 Cb 0.23 -0.30 -0.11 0.00 -2.33 0.00 0.00 43.42 40.91 1h69 n LEU 227 CO 0.22 0.03 -0.48 -0.36 -1.33 0.00 0.00 177.39 175.46 1h69 s PHE 228 N -2.65 2.56 -0.82 -1.77 0.40 -0.66 0.55 117.98 115.59 1h69 s PHE 228 Ca 0.25 -0.25 -0.20 0.00 -0.60 0.00 0.00 56.93 56.12 1h69 s PHE 228 Cb 0.20 -1.36 0.10 0.00 0.51 0.00 0.00 43.02 42.47 1h69 s PHE 228 CO 0.49 0.38 1.07 -0.51 0.70 0.00 0.00 175.22 177.35 1h69 s ASP 229 N -2.09 6.43 -0.97 1.36 1.01 -0.49 -4.80 116.67 117.12 1h69 s ASP 229 Ca 0.18 -1.58 -0.13 0.00 0.71 0.00 0.00 52.55 51.73 1h69 s ASP 229 Cb -0.11 -2.41 -0.09 0.00 1.01 0.00 0.00 42.92 41.32 1h69 s ASP 229 CO 0.10 -1.24 2.12 0.18 0.21 0.00 0.00 175.17 176.53 1h69 n LEU 230 N 7.14 5.10 -3.73 1.23 4.77 -1.26 -3.64 117.00 126.62 1h69 n LEU 230 Ca 0.13 -3.12 -0.13 0.00 -0.03 0.00 0.00 56.01 52.85 1h69 n LEU 230 Cb 0.48 -1.19 -0.09 0.00 -2.33 0.00 0.00 43.42 40.28 1h69 n LEU 230 CO 0.57 0.41 0.09 0.54 -1.33 0.00 0.00 177.39 177.67 1h69 s ASN 231 N 3.89 -0.38 0.30 -1.43 2.20 -1.26 -5.01 114.94 113.25 1h69 s ASN 231 Ca 0.49 0.64 0.14 0.00 -0.94 0.00 0.00 52.86 53.19 1h69 s ASN 231 Cb 0.13 0.69 0.76 0.00 -2.00 0.00 0.00 41.25 40.83 1h69 s ASN 231 CO 0.02 -0.25 1.34 0.49 -2.94 0.00 0.00 177.10 175.76 1h69 n PHE 232 N 2.35 0.48 0.12 1.54 3.72 -1.26 -1.09 117.46 123.31 1h69 n PHE 232 Ca -0.16 0.25 -0.20 0.00 -0.05 0.00 0.00 57.45 57.30 1h69 n PHE 232 Cb 0.57 -0.74 -0.15 0.00 -0.94 0.00 0.00 39.48 38.22 1h69 n PHE 232 CO 0.00 0.00 0.00 0.37 -0.05 0.00 0.00 176.76 177.08 1h69 h GLN 233 N 0.00 0.38 -0.38 -1.08 -0.00 -1.95 -3.29 115.11 108.80 1h69 h GLN 233 Ca 0.00 -0.65 0.00 0.00 -0.00 0.00 0.00 58.65 58.00 1h69 h GLN 233 Cb 0.46 0.24 0.00 0.00 0.00 0.00 0.00 27.48 28.19 1h69 h GLN 233 CO 0.00 1.31 0.00 0.00 0.00 0.00 0.00 178.83 180.14 1h69 n ALA 234 N -2.62 2.45 -2.26 3.38 0.00 -0.25 -4.92 120.51 116.29 1h69 n ALA 234 Ca -0.13 -0.82 -0.16 0.00 0.00 0.00 0.00 53.44 52.33 1h69 n ALA 234 Cb 1.06 -0.97 -0.01 0.00 0.00 0.00 0.00 19.45 19.53 1h69 n ALA 234 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1h69 n GLY 235 N 1.32 -0.20 4.35 0.00 0.00 -1.11 -2.66 105.19 106.89 1h69 n GLY 235 Ca 0.18 -0.21 -0.35 0.00 0.00 0.00 0.00 46.02 45.63 1h69 n GLY 235 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1h69 n PHE 236 N -3.94 -1.33 -3.81 1.61 3.01 -1.18 -4.91 117.46 106.90 1h69 n PHE 236 Ca -0.19 0.68 -0.24 0.00 1.01 0.00 0.00 57.45 58.71 1h69 n PHE 236 Cb 0.64 -2.60 -0.02 0.00 -0.01 0.00 0.00 39.48 37.49 1h69 n PHE 236 CO 0.00 0.00 0.00 -0.51 1.01 0.00 0.00 176.76 177.26 1h69 s LEU 237 N -7.28 4.26 0.37 4.37 1.43 -1.09 -4.80 118.68 115.95 1h69 s LEU 237 Ca 0.39 0.23 -0.28 0.00 -1.03 0.00 0.00 54.13 53.44 1h69 s LEU 237 Cb -0.22 -3.01 -0.11 0.00 0.03 0.00 0.00 46.19 42.87 1h69 s LEU 237 CO 0.99 -0.07 1.43 0.80 0.23 0.00 0.00 176.35 179.73 1h69 n MET 238 N -1.07 2.48 -1.73 1.70 0.00 -1.26 -1.39 117.12 115.85 1h69 n MET 238 Ca -0.07 0.87 -0.42 0.00 -0.00 0.00 0.00 57.70 58.08 1h69 n MET 238 Cb 0.55 -2.57 -0.02 0.00 0.00 0.00 0.00 33.22 31.18 1h69 n MET 238 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 175.97 177.60 1h69 n LYS 239 N 0.41 2.69 -0.29 2.12 5.02 0.19 -4.76 118.16 123.54 1h69 n LYS 239 Ca 0.03 0.96 0.22 0.00 -2.02 0.00 0.00 58.31 57.50 1h69 n LYS 239 Cb 0.38 -2.76 0.52 0.00 -0.02 0.00 0.00 35.03 33.16 1h69 n LYS 239 CO 0.00 0.00 0.00 0.87 -0.52 0.00 0.00 177.40 177.75 1h69 h LYS 240 N 5.41 0.37 -0.36 1.97 1.57 -1.89 0.22 116.57 123.85 1h69 h LYS 240 Ca -0.46 -0.02 -0.06 0.00 -1.87 0.00 0.00 60.65 58.24 1h69 h LYS 240 Cb 1.22 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 33.44 1h69 h LYS 240 CO 0.84 0.24 -0.02 0.93 -0.57 0.00 0.00 179.45 180.88 1h69 h GLU 241 N 0.38 0.64 -0.70 3.15 3.07 -1.96 -2.04 114.58 117.11 1h69 h GLU 241 Ca 0.54 -0.21 -0.07 0.00 -0.50 0.00 0.00 59.36 59.11 1h69 h GLU 241 Cb 1.41 -0.05 -0.03 0.00 -0.84 0.00 0.00 28.75 29.23 1h69 h GLU 241 CO -0.22 0.76 0.16 0.28 -1.40 0.00 0.00 179.01 178.59 1h69 h VAL 242 N 0.45 1.26 -0.04 3.13 2.07 -1.03 -2.35 116.25 119.74 1h69 h VAL 242 Ca 0.10 -0.99 -0.02 0.00 0.82 0.00 0.00 66.70 66.61 1h69 h VAL 242 Cb 0.49 0.55 -0.01 0.00 -1.52 0.00 0.00 31.29 30.80 1h69 h VAL 242 CO 0.02 0.38 -0.08 1.56 0.02 0.00 0.00 177.57 179.47 1h69 h GLN 243 N 1.07 0.06 0.01 1.57 4.20 -0.55 -2.59 115.11 118.88 1h69 h GLN 243 Ca 0.22 -0.01 -0.19 0.00 0.06 0.00 0.00 58.65 58.73 1h69 h GLN 243 Cb 0.39 -0.01 -0.02 0.00 0.30 0.00 0.00 27.48 28.13 1h69 h GLN 243 CO 0.00 0.15 -0.91 -0.44 -0.67 0.00 0.00 178.83 176.96 1h69 h ASP 244 N 0.06 0.06 1.36 1.46 3.32 -0.84 -3.02 116.42 118.81 1h69 h ASP 244 Ca 0.01 -0.05 0.00 0.00 0.02 0.00 0.00 57.03 57.01 1h69 h ASP 244 Cb 0.19 -0.02 0.00 0.00 0.22 0.00 0.00 39.33 39.72 1h69 h ASP 244 CO 0.01 0.94 0.00 -0.33 -1.72 0.00 0.00 179.24 178.14 1h69 h GLU 245 N 0.02 0.00 0.00 3.56 5.08 -1.15 -3.29 114.58 118.80 1h69 h GLU 245 Ca -0.02 0.00 -0.20 0.00 -1.00 0.00 0.00 59.36 58.14 1h69 h GLU 245 Cb 1.60 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 30.81 1h69 h GLU 245 CO 0.12 0.00 -1.79 0.39 -1.00 0.00 0.00 179.01 176.74 1h69 n GLU 246 N -2.30 0.65 0.26 2.33 -0.58 -1.09 -4.26 120.64 115.65 1h69 n GLU 246 Ca 0.05 0.10 0.17 0.00 -0.42 0.00 0.00 57.16 57.06 1h69 n GLU 246 Cb 0.40 -1.69 0.79 0.00 -0.57 0.00 0.00 31.44 30.38 1h69 n GLU 246 CO 0.00 0.00 0.00 0.87 -0.48 0.00 0.00 177.13 177.52 1h69 h LYS 247 N 0.00 0.00 0.00 3.49 1.57 -1.59 0.17 116.57 120.20 1h69 h LYS 247 Ca -0.25 0.00 -0.14 0.00 -1.87 0.00 0.00 60.65 58.39 1h69 h LYS 247 Cb 1.70 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.99 1h69 h LYS 247 CO 0.04 0.00 -1.57 0.09 -0.57 0.00 0.00 179.45 177.44 1h69 n ASN 248 N -3.15 0.61 -4.77 0.86 3.02 -1.26 -4.95 115.26 105.62 1h69 n ASN 248 Ca 0.01 0.26 -0.38 0.00 -0.03 0.00 0.00 54.58 54.44 1h69 n ASN 248 Cb 0.45 0.61 -0.02 0.00 -0.61 0.00 0.00 39.78 40.21 1h69 n ASN 248 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 1h69 s LYS 249 N -3.04 4.00 -0.07 3.52 -0.14 0.58 -5.00 119.74 119.59 1h69 s LYS 249 Ca -0.04 1.82 -0.16 0.00 -1.36 0.00 0.00 55.97 56.23 1h69 s LYS 249 Cb 0.09 -2.62 -0.12 0.00 -1.68 0.00 0.00 37.83 33.50 1h69 s LYS 249 CO 0.83 -0.36 0.58 -0.22 -0.76 0.00 0.00 175.35 175.42 1h69 h LYS 250 N 2.52 -0.18 -6.64 1.68 3.64 -1.92 -3.47 116.57 112.20 1h69 h LYS 250 Ca -0.49 0.01 -0.51 0.00 -1.27 0.00 0.00 60.65 58.39 1h69 h LYS 250 Cb 1.24 0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 33.08 1h69 h LYS 250 CO 0.62 0.17 0.01 -0.06 -2.27 0.00 0.00 179.45 177.92 1h69 s PHE 251 N -2.74 3.42 0.08 1.91 0.08 -1.26 -3.72 117.98 115.76 1h69 s PHE 251 Ca -0.09 1.02 -0.01 0.00 0.12 0.00 0.00 56.93 57.96 1h69 s PHE 251 Cb -0.00 -2.39 0.02 0.00 -0.57 0.00 0.00 43.02 40.08 1h69 s PHE 251 CO 0.34 0.12 0.09 0.41 -0.10 0.00 0.00 175.22 176.07 1h69 n GLY 252 N -0.53 -1.88 0.12 4.36 0.00 0.44 -4.84 105.19 102.85 1h69 n GLY 252 Ca 0.02 -1.55 -0.18 0.00 0.00 0.00 0.00 46.02 44.31 1h69 n GLY 252 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1h69 n LEU 253 N 0.00 2.12 0.00 0.99 4.77 0.48 -4.54 117.00 120.82 1h69 n LEU 253 Ca 0.01 0.25 -0.04 0.00 -0.03 0.00 0.00 56.01 56.20 1h69 n LEU 253 Cb 0.04 -0.73 0.01 0.00 -2.33 0.00 0.00 43.42 40.42 1h69 n LEU 253 CO 0.03 0.72 0.27 -1.54 -1.33 0.00 0.00 177.39 175.54 1h69 n SER 254 N -3.34 -1.13 -0.05 -1.43 3.41 -1.03 -4.82 113.62 105.23 1h69 n SER 254 Ca -0.28 -1.78 -0.10 0.00 -0.26 0.00 0.00 58.87 56.44 1h69 n SER 254 Cb 1.05 1.89 -0.04 0.00 -0.26 0.00 0.00 64.21 66.85 1h69 n SER 254 CO 0.00 0.00 0.00 0.58 -0.16 0.00 0.00 175.04 175.46 1h69 h VAL 255 N 1.49 1.11 -0.00 -3.33 2.07 -1.92 -1.29 116.25 114.37 1h69 h VAL 255 Ca -0.17 -0.30 -0.21 0.00 0.82 0.00 0.00 66.70 66.84 1h69 h VAL 255 Cb 0.61 0.95 -0.00 0.00 -1.52 0.00 0.00 31.29 31.32 1h69 h VAL 255 CO 0.21 0.11 -0.90 1.23 0.02 0.00 0.00 177.57 178.24 1h69 h GLY 256 N 0.21 0.34 -5.47 2.17 0.00 -1.97 -3.26 103.07 95.09 1h69 h GLY 256 Ca 0.07 -0.59 -0.74 0.00 0.00 0.00 0.00 47.33 46.08 1h69 h GLY 256 CO -0.01 0.52 0.58 1.42 0.00 0.00 0.00 176.54 179.05 1h69 n HIS 257 N -3.71 3.11 0.37 5.60 -0.00 -1.15 -4.63 115.22 114.82 1h69 n HIS 257 Ca -0.05 -2.76 0.13 0.00 -0.00 0.00 0.00 57.72 55.04 1h69 n HIS 257 Cb 0.81 -0.95 0.40 0.00 -0.00 0.00 0.00 29.99 30.25 1h69 n HIS 257 CO 0.00 0.00 0.00 1.12 -0.00 0.00 0.00 176.34 177.46 1h69 h HIS 258 N 3.42 0.00 -1.03 4.41 2.07 -1.28 0.15 115.15 122.89 1h69 h HIS 258 Ca 0.46 0.00 -0.36 0.00 -2.85 0.00 0.00 60.37 57.62 1h69 h HIS 258 Cb 0.32 0.00 -0.14 0.00 2.57 0.00 0.00 27.41 30.16 1h69 h HIS 258 CO 1.15 0.00 -0.33 1.28 -3.07 0.00 0.00 177.93 176.96 1h69 n LEU 259 N -2.73 -1.22 0.00 6.12 4.77 -1.26 -1.08 117.00 121.60 1h69 n LEU 259 Ca 0.03 0.43 0.00 0.00 -0.03 0.00 0.00 56.01 56.45 1h69 n LEU 259 Cb 0.40 -2.61 0.00 0.00 -2.33 0.00 0.00 43.42 38.88 1h69 n LEU 259 CO 0.29 -0.98 0.00 0.61 -1.33 0.00 0.00 177.39 175.98 1h69 n GLY 260 N -0.26 0.76 0.00 -0.72 0.00 -1.26 -5.03 105.19 98.68 1h69 n GLY 260 Ca -0.18 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.84 1h69 n GLY 260 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1h69 n LYS 261 N -2.24 3.73 -2.67 1.61 5.02 -0.24 -5.10 118.16 118.27 1h69 n LYS 261 Ca 0.00 0.00 -0.40 0.00 -2.02 0.00 0.00 58.31 55.89 1h69 n LYS 261 Cb 0.00 0.00 -0.05 0.00 -0.02 0.00 0.00 35.03 34.96 1h69 n LYS 261 CO 0.00 0.00 0.00 -1.12 -0.52 0.00 0.00 177.40 175.76 1h69 s SER 262 N 0.38 7.52 0.04 4.39 0.01 -1.24 -4.70 113.70 120.10 1h69 s SER 262 Ca 0.00 2.00 -0.25 0.00 1.31 0.00 0.00 55.95 59.01 1h69 s SER 262 Cb 0.00 -2.61 -0.05 0.00 0.21 0.00 0.00 66.02 63.57 1h69 s SER 262 CO 0.00 0.03 0.77 -0.63 0.41 0.00 0.00 173.24 173.82 1h69 s ILE 263 N -0.90 4.74 0.13 1.44 1.01 -1.26 0.17 121.20 126.53 1h69 s ILE 263 Ca 0.43 1.63 -0.32 0.00 0.00 0.00 0.00 60.65 62.40 1h69 s ILE 263 Cb -0.27 -4.11 -0.11 0.00 0.01 0.00 0.00 42.46 37.97 1h69 s ILE 263 CO 0.34 0.36 1.80 -2.65 0.00 0.00 0.00 174.94 174.79 1h69 n PRO 264 N 2.85 2.71 -1.51 2.79 -0.02 -1.26 -4.83 135.00 135.73 1h69 n PRO 264 Ca -0.02 0.99 -0.54 0.00 -2.02 0.00 0.00 63.50 61.90 1h69 n PRO 264 Cb 0.50 -2.86 -0.06 0.00 -0.02 0.00 0.00 33.50 31.06 1h69 n PRO 264 CO 0.00 0.00 0.00 2.41 1.98 0.00 0.00 175.50 179.89 1h69 n THR 265 N 4.50 0.58 -4.34 3.45 -1.04 -1.26 -1.70 114.28 114.47 1h69 n THR 265 Ca 0.18 -0.15 -0.35 0.00 -2.04 0.00 0.00 64.05 61.69 1h69 n THR 265 Cb 0.36 -0.26 -0.07 0.00 -1.82 0.00 0.00 70.33 68.54 1h69 n THR 265 CO 0.00 0.00 0.00 0.47 -0.64 0.00 0.00 175.07 174.90 1h69 n ASP 266 N 1.81 -0.69 0.10 8.00 8.00 -1.26 -4.83 116.55 127.68 1h69 n ASP 266 Ca 0.18 -1.20 0.11 0.00 0.71 0.00 0.00 54.79 54.59 1h69 n ASP 266 Cb 0.16 -1.93 0.60 0.00 -0.02 0.00 0.00 41.12 39.92 1h69 n ASP 266 CO 0.00 0.00 0.00 -1.13 -0.39 0.00 0.00 177.20 175.68 1h69 h ASN 267 N -1.45 0.13 -0.48 -2.24 -1.24 -1.59 -1.01 115.58 107.70 1h69 h ASN 267 Ca -0.63 -0.00 0.00 0.00 0.71 0.00 0.00 56.30 56.38 1h69 h ASN 267 Cb 1.39 -0.03 0.00 0.00 0.73 0.00 0.00 38.32 40.41 1h69 h ASN 267 CO 0.77 0.09 0.00 0.00 -1.29 0.00 0.00 177.43 177.00 1h69 n GLN 268 N -4.48 3.27 0.00 6.67 1.13 -1.26 -4.27 117.38 118.44 1h69 n GLN 268 Ca 0.03 -2.63 0.00 0.00 -1.94 0.00 0.00 57.00 52.46 1h69 n GLN 268 Cb 0.26 -1.69 0.00 0.00 0.11 0.00 0.00 30.24 28.92 1h69 n GLN 268 CO 0.00 0.00 0.00 -0.89 -1.44 0.00 0.00 177.06 174.73 1h69 n ILE 269 N 0.63 0.00 -4.54 5.09 5.41 -0.84 -4.59 119.36 120.51 1h69 n ILE 269 Ca 0.21 0.00 -0.21 0.00 1.00 0.00 0.00 62.75 63.75 1h69 n ILE 269 Cb 0.74 -0.48 -0.15 0.00 -0.71 0.00 0.00 39.64 39.05 1h69 n ILE 269 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 176.55 176.01 1h69 s LYS 270 N -1.51 1.01 0.94 0.38 -0.14 -0.44 -4.30 119.74 115.68 1h69 s LYS 270 Ca 0.00 -0.49 -0.15 0.00 -1.36 0.00 0.00 55.97 53.97 1h69 s LYS 270 Cb 0.00 -0.98 0.19 0.00 -1.68 0.00 0.00 37.83 35.36 1h69 s LYS 270 CO 0.00 0.27 1.30 0.00 -0.76 0.00 0.00 175.35 176.15 1h69 s ALA 271 N -0.36 2.34 0.00 5.17 0.00 -1.26 -4.62 121.76 123.02 1h69 s ALA 271 Ca 0.04 -1.20 0.00 0.00 0.00 0.00 0.00 51.96 50.81 1h69 s ALA 271 Cb -0.05 -2.74 0.00 0.00 0.00 0.00 0.00 23.12 20.32 1h69 s ALA 271 CO -0.00 -2.34 0.00 -2.13 0.00 0.00 0.00 175.76 171.29 1h69 n ARG 272 N -3.69 0.00 0.00 0.00 0.63 -1.26 -5.02 116.66 107.32 1h69 n ARG 272 Ca 0.15 0.43 0.00 0.00 -0.92 0.00 0.00 57.85 57.50 1h69 n ARG 272 Cb 0.60 -0.72 0.00 0.00 0.45 0.00 0.00 32.46 32.79 1h69 n ARG 272 CO 0.00 0.00 0.00 1.17 -2.51 0.00 0.00 177.63 176.29