#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 1.91 0.00 0.00 0.00 -1.26 -4.97 107.32 103.00 1h69 s GLY 2 Ca 0.00 -0.75 0.00 0.00 0.00 0.00 0.00 44.72 43.97 1h69 s GLY 2 CO 0.00 -0.22 0.00 -2.13 0.00 0.00 0.00 173.10 170.75 1h69 n ARG 3 N 2.86 2.15 -5.09 2.90 3.00 -1.26 -4.97 116.66 116.25 1h69 n ARG 3 Ca -0.18 0.00 -0.30 0.00 -0.00 0.00 0.00 57.85 57.37 1h69 n ARG 3 Cb 0.53 -0.77 -0.15 0.00 0.00 0.00 0.00 32.46 32.06 1h69 n ARG 3 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.63 178.66 1h69 s ARG 4 N -1.54 1.90 0.02 -0.14 0.52 -1.26 -1.46 118.95 116.98 1h69 s ARG 4 Ca 0.00 -0.96 0.04 0.00 -0.52 0.00 0.00 55.73 54.29 1h69 s ARG 4 Cb 0.00 -1.92 -0.02 0.00 0.52 0.00 0.00 34.95 33.53 1h69 s ARG 4 CO 0.00 0.52 -0.12 0.00 0.02 0.00 0.00 175.30 175.71 1h69 s ALA 5 N -0.67 1.01 -0.13 2.13 0.00 0.33 -1.20 121.76 123.23 1h69 s ALA 5 Ca 0.10 -0.69 0.02 0.00 0.00 0.00 0.00 51.96 51.38 1h69 s ALA 5 Cb -0.10 -0.17 -0.00 0.00 0.00 0.00 0.00 23.12 22.85 1h69 s ALA 5 CO 0.00 0.19 -0.18 -1.17 0.00 0.00 0.00 175.76 174.60 1h69 s LEU 6 N -0.89 2.37 -0.30 0.00 2.96 0.11 -1.40 118.68 121.53 1h69 s LEU 6 Ca 0.01 -0.48 -0.03 0.00 -0.22 0.00 0.00 54.13 53.41 1h69 s LEU 6 Cb -0.07 -1.51 0.04 0.00 0.50 0.00 0.00 46.19 45.15 1h69 s LEU 6 CO 0.01 0.13 0.02 -0.63 -1.32 0.00 0.00 176.35 174.55 1h69 s ILE 7 N 0.56 3.20 -0.30 6.68 1.01 -0.47 -0.41 121.20 131.46 1h69 s ILE 7 Ca -0.11 -1.21 -0.15 0.00 0.00 0.00 0.00 60.65 59.18 1h69 s ILE 7 Cb -0.16 -2.78 -0.03 0.00 0.01 0.00 0.00 42.46 39.50 1h69 s ILE 7 CO 0.04 -0.05 0.35 -0.69 0.00 0.00 0.00 174.94 174.58 1h69 s VAL 8 N 1.31 5.19 -0.07 2.92 1.01 0.77 -1.62 120.40 129.91 1h69 s VAL 8 Ca -0.03 0.28 0.01 0.00 0.00 0.00 0.00 61.98 62.25 1h69 s VAL 8 Cb -0.19 -3.73 -0.03 0.00 0.00 0.00 0.00 36.38 32.43 1h69 s VAL 8 CO -0.01 0.05 -0.09 -0.22 0.00 0.00 0.00 175.10 174.84 1h69 s LEU 9 N 2.01 3.02 -0.55 3.92 2.96 -0.53 -0.48 118.68 129.04 1h69 s LEU 9 Ca 0.13 -0.10 0.05 0.00 -0.22 0.00 0.00 54.13 53.98 1h69 s LEU 9 Cb -0.16 -1.65 0.17 0.00 0.50 0.00 0.00 46.19 45.05 1h69 s LEU 9 CO 0.11 0.33 0.43 0.00 -1.32 0.00 0.00 176.35 175.90 1h69 n ALA 10 N 2.44 3.14 -3.54 5.97 0.00 -0.76 -2.34 120.51 125.43 1h69 n ALA 10 Ca -0.18 -3.81 -0.12 0.00 0.00 0.00 0.00 53.44 49.34 1h69 n ALA 10 Cb 0.53 -0.88 -0.09 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 -0.74 -0.68 0.17 0.00 5.04 -1.26 -4.43 115.29 113.39 1h69 s HIS 11 Ca 0.30 1.52 0.08 0.00 -1.54 0.00 0.00 55.06 55.42 1h69 s HIS 11 Cb 0.01 0.29 -0.01 0.00 0.04 0.00 0.00 32.58 32.91 1h69 s HIS 11 CO -0.18 -0.34 1.39 0.66 -2.34 0.00 0.00 174.74 173.94 1h69 h SER 12 N 6.03 0.01 -3.41 9.88 4.64 -1.98 -3.43 113.55 125.29 1h69 h SER 12 Ca -0.30 -0.01 -0.59 0.00 -0.47 0.00 0.00 61.79 60.42 1h69 h SER 12 Cb 1.18 -0.00 -0.10 0.00 -0.31 0.00 0.00 62.40 63.17 1h69 h SER 12 CO 0.20 0.87 -0.10 -1.61 -0.87 0.00 0.00 176.83 175.32 1h69 s GLU 13 N -3.03 4.25 0.07 4.77 0.41 -1.26 -4.92 118.70 118.98 1h69 s GLU 13 Ca 0.00 0.39 0.20 0.00 -0.41 0.00 0.00 54.97 55.15 1h69 s GLU 13 Cb 0.11 -3.51 0.81 0.00 -1.78 0.00 0.00 34.13 29.76 1h69 s GLU 13 CO 0.80 -0.01 1.62 -2.13 -0.49 0.00 0.00 175.26 175.05 1h69 n ARG 14 N 4.30 0.06 -0.08 1.61 0.63 -1.26 -2.43 116.66 119.48 1h69 n ARG 14 Ca -0.06 0.24 0.12 0.00 -0.92 0.00 0.00 57.85 57.23 1h69 n ARG 14 Cb 0.51 -1.60 0.19 0.00 0.45 0.00 0.00 32.46 32.01 1h69 n ARG 14 CO 0.00 0.00 0.00 0.25 -2.51 0.00 0.00 177.63 175.37 1h69 n THR 15 N -1.70 0.21 -1.85 5.15 -2.24 -1.26 -4.79 114.28 107.80 1h69 n THR 15 Ca 0.04 -0.58 -0.30 0.00 -2.27 0.00 0.00 64.05 60.94 1h69 n THR 15 Cb 0.23 1.17 0.05 0.00 -2.10 0.00 0.00 70.33 69.68 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 -1.77 5.28 0.34 3.42 1.04 -1.02 -4.96 113.70 116.03 1h69 s SER 16 Ca 0.33 1.12 0.10 0.00 0.48 0.00 0.00 55.95 57.99 1h69 s SER 16 Cb 0.21 -1.89 0.61 0.00 0.10 0.00 0.00 66.02 65.05 1h69 s SER 16 CO 0.31 -1.45 1.78 0.15 0.98 0.00 0.00 173.24 175.01 1h69 h PHE 17 N -0.73 0.13 -0.79 5.02 3.57 -1.94 -2.48 116.94 119.73 1h69 h PHE 17 Ca -0.45 -0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.01 1h69 h PHE 17 Cb 1.26 -0.03 -0.04 0.00 2.79 0.00 0.00 35.95 39.93 1h69 h PHE 17 CO 0.48 0.47 0.45 -0.91 -2.23 0.00 0.00 178.31 176.58 1h69 h ASN 18 N 0.10 0.96 -0.35 0.41 2.35 -1.93 0.20 115.58 117.33 1h69 h ASN 18 Ca 0.01 -0.07 -0.16 0.00 -0.55 0.00 0.00 56.30 55.53 1h69 h ASN 18 Cb 0.70 -0.24 -0.01 0.00 0.05 0.00 0.00 38.32 38.82 1h69 h ASN 18 CO 0.05 0.76 -0.42 0.22 -1.65 0.00 0.00 177.43 176.40 1h69 h TYR 19 N 1.10 1.11 -0.73 1.19 3.20 -1.70 -1.67 116.97 119.46 1h69 h TYR 19 Ca 0.28 -0.34 -0.01 0.00 3.14 0.00 0.00 58.73 61.80 1h69 h TYR 19 Cb -0.01 -0.23 -0.03 0.00 1.54 0.00 0.00 36.73 38.00 1h69 h TYR 19 CO 0.01 1.17 0.43 0.00 -1.64 0.00 0.00 178.16 178.12 1h69 h ALA 20 N 0.78 0.93 0.00 1.82 0.00 -0.87 -0.23 119.26 121.69 1h69 h ALA 20 Ca 0.05 -0.10 -0.05 0.00 0.00 0.00 0.00 54.91 54.82 1h69 h ALA 20 Cb 1.01 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.50 1h69 h ALA 20 CO 0.10 0.42 -0.23 0.52 0.00 0.00 0.00 179.25 180.06 1h69 h MET 21 N 1.00 0.00 -0.03 0.00 2.86 -0.45 0.11 114.93 118.42 1h69 h MET 21 Ca 0.26 0.00 -0.23 0.00 -2.06 0.00 0.00 59.70 57.67 1h69 h MET 21 Cb -0.01 0.00 0.01 0.00 0.06 0.00 0.00 31.60 31.66 1h69 h MET 21 CO -0.05 0.23 -0.93 -0.22 1.06 0.00 0.00 176.91 177.00 1h69 h LYS 22 N 0.00 0.56 -0.45 1.72 3.11 -0.52 -2.50 116.57 118.49 1h69 h LYS 22 Ca -0.00 -0.56 -0.13 0.00 -2.81 0.00 0.00 60.65 57.15 1h69 h LYS 22 Cb 0.42 0.15 -0.01 0.00 -1.00 0.00 0.00 32.23 31.79 1h69 h LYS 22 CO 0.03 1.19 -0.22 0.93 -2.81 0.00 0.00 179.45 178.57 1h69 h GLU 23 N 0.33 0.94 -0.31 1.90 4.39 -0.35 -1.77 114.58 119.70 1h69 h GLU 23 Ca -0.09 -0.41 -0.01 0.00 0.34 0.00 0.00 59.36 59.20 1h69 h GLU 23 Cb 1.57 -0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 30.18 1h69 h GLU 23 CO 0.17 1.07 0.17 0.00 -1.16 0.00 0.00 179.01 179.27 1h69 h ALA 24 N 0.84 0.40 -0.31 3.43 0.00 -0.82 -1.12 119.26 121.68 1h69 h ALA 24 Ca 0.10 -0.07 -0.02 0.00 0.00 0.00 0.00 54.91 54.92 1h69 h ALA 24 Cb 0.79 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.45 1h69 h ALA 24 CO 0.07 -0.08 0.13 0.00 0.00 0.00 0.00 179.25 179.37 1h69 h ALA 25 N 1.05 0.40 0.25 0.00 0.00 -1.39 -0.75 119.26 118.82 1h69 h ALA 25 Ca 0.11 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1h69 h ALA 25 Cb 0.05 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.70 1h69 h ALA 25 CO -0.02 -0.01 -0.28 0.00 0.00 0.00 0.00 179.25 178.94 1h69 h ALA 26 N 0.98 -0.57 0.07 0.00 0.00 -1.16 -0.90 119.26 117.68 1h69 h ALA 26 Ca 0.10 -0.08 0.02 0.00 0.00 0.00 0.00 54.91 54.96 1h69 h ALA 26 Cb 0.17 0.41 -0.04 0.00 0.00 0.00 0.00 17.79 18.33 1h69 h ALA 26 CO -0.01 -0.85 -0.26 0.00 0.00 0.00 0.00 179.25 178.13 1h69 h ALA 27 N 0.05 -0.40 0.14 0.00 0.00 -1.13 -1.50 119.26 116.41 1h69 h ALA 27 Ca -0.00 -0.02 0.02 0.00 0.00 0.00 0.00 54.91 54.90 1h69 h ALA 27 Cb 0.54 0.44 -0.04 0.00 0.00 0.00 0.00 17.79 18.73 1h69 h ALA 27 CO -0.08 -0.78 -0.35 0.00 0.00 0.00 0.00 179.25 178.04 1h69 h ALA 28 N 0.34 -0.62 -0.24 0.00 0.00 -1.03 -0.39 119.26 117.31 1h69 h ALA 28 Ca 0.04 -0.06 0.03 0.00 0.00 0.00 0.00 54.91 54.92 1h69 h ALA 28 Cb 0.49 0.57 -0.03 0.00 0.00 0.00 0.00 17.79 18.82 1h69 h ALA 28 CO -0.18 -0.91 0.06 -0.07 0.00 0.00 0.00 179.25 178.15 1h69 h LEU 29 N -0.59 0.05 -0.24 0.00 4.07 -1.11 -2.59 115.31 114.90 1h69 h LEU 29 Ca 0.02 0.03 0.03 0.00 0.08 0.00 0.00 57.88 58.05 1h69 h LEU 29 Cb 0.61 0.03 -0.03 0.00 1.08 0.00 0.00 40.66 42.36 1h69 h LEU 29 CO -0.19 0.06 0.05 0.11 -1.08 0.00 0.00 178.44 177.38 1h69 h LYS 30 N 0.16 0.14 0.00 1.13 1.57 -1.11 0.11 116.57 118.57 1h69 h LYS 30 Ca 0.11 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.88 1h69 h LYS 30 Cb 0.09 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.37 1h69 h LYS 30 CO -0.13 0.09 0.01 1.63 -0.57 0.00 0.00 179.45 180.48 1h69 n LYS 31 N -5.08 0.07 -0.17 3.15 5.02 -0.17 0.60 118.16 121.58 1h69 n LYS 31 Ca -0.02 0.57 0.08 0.00 -2.02 0.00 0.00 58.31 56.92 1h69 n LYS 31 Cb 0.11 -1.74 0.17 0.00 -0.02 0.00 0.00 35.03 33.55 1h69 n LYS 31 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05 1h69 n LYS 32 N -1.88 2.28 -0.14 1.97 3.00 -0.10 -4.97 118.16 118.33 1h69 n LYS 32 Ca -0.01 -2.03 0.00 0.00 -0.00 0.00 0.00 58.31 56.27 1h69 n LYS 32 Cb 0.03 -1.37 0.00 0.00 0.00 0.00 0.00 35.03 33.69 1h69 n LYS 32 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1h69 n GLY 33 N 0.98 0.61 3.80 3.14 0.00 0.20 -5.06 105.19 108.86 1h69 n GLY 33 Ca 0.15 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.85 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 -2.35 2.89 -0.23 1.61 0.52 -0.46 -4.96 118.94 115.97 1h69 s TRP 34 Ca 0.00 1.48 -0.09 0.00 0.02 0.00 0.00 56.10 57.52 1h69 s TRP 34 Cb 0.00 -2.96 -0.04 0.00 -1.15 0.00 0.00 33.47 29.32 1h69 s TRP 34 CO 0.00 -1.44 0.11 -2.00 0.02 0.00 0.00 176.95 173.63 1h69 s GLU 35 N -4.87 3.87 -0.15 4.98 2.12 -0.54 -4.21 118.70 119.90 1h69 s GLU 35 Ca 0.60 -0.38 -0.00 0.00 0.36 0.00 0.00 54.97 55.55 1h69 s GLU 35 Cb -0.16 -3.39 -0.01 0.00 0.26 0.00 0.00 34.13 30.84 1h69 s GLU 35 CO 0.53 -0.02 -0.14 0.08 -0.54 0.00 0.00 175.26 175.18 1h69 s VAL 36 N 1.20 2.82 0.07 3.70 1.01 -1.26 -0.52 120.40 127.43 1h69 s VAL 36 Ca 0.06 -0.72 0.08 0.00 0.00 0.00 0.00 61.98 61.39 1h69 s VAL 36 Cb -0.14 -2.19 -0.03 0.00 0.00 0.00 0.00 36.38 34.01 1h69 s VAL 36 CO 0.04 0.51 -0.20 -0.69 0.00 0.00 0.00 175.10 174.77 1h69 s VAL 37 N 0.69 2.69 0.21 2.92 1.01 -0.50 -5.00 120.40 122.42 1h69 s VAL 37 Ca -0.07 -1.36 0.11 0.00 0.00 0.00 0.00 61.98 60.66 1h69 s VAL 37 Cb -0.16 -2.16 -0.04 0.00 0.00 0.00 0.00 36.38 34.02 1h69 s VAL 37 CO 0.02 0.24 -0.18 -1.61 0.00 0.00 0.00 175.10 173.57 1h69 s GLU 38 N -1.70 1.73 -0.40 2.72 2.02 -1.26 -1.37 118.70 120.43 1h69 s GLU 38 Ca 0.15 -1.51 0.03 0.00 0.02 0.00 0.00 54.97 53.66 1h69 s GLU 38 Cb -0.10 -1.92 0.16 0.00 0.10 0.00 0.00 34.13 32.36 1h69 s GLU 38 CO 0.07 0.39 0.31 -1.12 0.02 0.00 0.00 175.26 174.93 1h69 s SER 39 N -2.94 1.92 -1.02 -0.19 0.01 -0.64 -4.93 113.70 105.90 1h69 s SER 39 Ca 0.24 -2.86 -0.16 0.00 1.31 0.00 0.00 55.95 54.49 1h69 s SER 39 Cb -0.07 -0.46 0.17 0.00 0.21 0.00 0.00 66.02 65.86 1h69 s SER 39 CO 0.13 -0.20 1.18 -0.62 0.41 0.00 0.00 173.24 174.14 1h69 s ASP 40 N 0.28 6.85 0.30 2.44 -1.08 -1.26 -1.45 116.67 122.75 1h69 s ASP 40 Ca 0.29 -2.56 0.01 0.00 -0.52 0.00 0.00 52.55 49.77 1h69 s ASP 40 Cb -0.04 -2.36 0.74 0.00 -1.46 0.00 0.00 42.92 39.80 1h69 s ASP 40 CO -0.14 -0.84 1.58 -0.07 0.52 0.00 0.00 175.17 176.22 1h69 h LEU 41 N 9.57 -0.44 -0.05 -1.34 3.38 -1.84 0.10 115.31 124.69 1h69 h LEU 41 Ca 0.21 0.27 -0.02 0.00 0.09 0.00 0.00 57.88 58.43 1h69 h LEU 41 Cb 0.96 0.47 -0.00 0.00 0.09 0.00 0.00 40.66 42.18 1h69 h LEU 41 CO 1.10 -0.34 -0.04 1.88 0.09 0.00 0.00 178.44 181.14 1h69 h TYR 42 N 0.02 0.13 -0.47 1.13 0.05 -1.83 0.36 116.97 116.36 1h69 h TYR 42 Ca 0.59 -0.04 -0.00 0.00 0.05 0.00 0.00 58.73 59.33 1h69 h TYR 42 Cb 1.21 -0.03 -0.02 0.00 1.01 0.00 0.00 36.73 38.89 1h69 h TYR 42 CO -0.48 0.54 0.28 0.00 -1.05 0.00 0.00 178.16 177.45 1h69 h ALA 43 N 0.57 1.61 0.00 3.88 0.00 -1.60 0.27 119.26 123.99 1h69 h ALA 43 Ca 0.01 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.86 1h69 h ALA 43 Cb 0.51 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.11 1h69 h ALA 43 CO 0.01 0.34 0.00 -1.33 0.00 0.00 0.00 179.25 178.27 1h69 n MET 44 N -4.44 0.40 -3.75 0.00 2.81 0.25 -4.90 117.12 107.50 1h69 n MET 44 Ca 0.04 0.00 -0.22 0.00 -1.81 0.00 0.00 57.70 55.71 1h69 n MET 44 Cb 0.08 -1.50 0.02 0.00 -0.71 0.00 0.00 33.22 31.11 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 -1.30 -1.08 -4.73 7.83 2.85 0.94 -4.86 115.26 114.91 1h69 n ASN 45 Ca 0.14 -0.86 -0.42 0.00 -0.11 0.00 0.00 54.58 53.33 1h69 n ASN 45 Cb 0.25 -3.83 -0.03 0.00 1.24 0.00 0.00 39.78 37.41 1h69 n ASN 45 CO 0.00 0.00 0.00 0.12 -2.11 0.00 0.00 177.26 175.27 1h69 s PHE 46 N -3.73 3.06 -0.37 1.20 5.36 0.12 -4.98 117.98 118.64 1h69 s PHE 46 Ca 0.01 0.90 -0.25 0.00 -0.96 0.00 0.00 56.93 56.63 1h69 s PHE 46 Cb -0.00 -3.84 0.01 0.00 -0.34 0.00 0.00 43.02 38.85 1h69 s PHE 46 CO 0.83 -2.86 0.90 1.21 -1.46 0.00 0.00 175.22 173.83 1h69 s ASN 47 N 0.67 6.65 0.00 6.13 3.04 -1.26 -4.92 114.94 125.24 1h69 s ASN 47 Ca 0.63 0.52 0.26 0.00 0.04 0.00 0.00 52.86 54.31 1h69 s ASN 47 Cb -0.42 -2.45 0.72 0.00 -1.54 0.00 0.00 41.25 37.57 1h69 s ASN 47 CO 0.38 -0.84 1.56 -0.81 -3.04 0.00 0.00 177.10 174.35 1h69 n PRO 48 N 6.71 1.71 -3.39 0.43 -0.04 -1.26 -4.82 135.00 134.33 1h69 n PRO 48 Ca 0.06 -1.16 -0.40 0.00 -0.04 0.00 0.00 63.50 61.96 1h69 n PRO 48 Cb 0.48 -1.48 -0.09 0.00 -0.04 0.00 0.00 33.50 32.37 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 -2.09 5.16 0.40 0.52 -1.09 -1.26 -4.27 121.20 118.57 1h69 s ILE 49 Ca 0.32 0.33 -0.26 0.00 -2.23 0.00 0.00 60.65 58.81 1h69 s ILE 49 Cb 0.20 -3.76 -0.09 0.00 -1.58 0.00 0.00 42.46 37.23 1h69 s ILE 49 CO 0.36 0.03 1.30 0.27 -1.23 0.00 0.00 174.94 175.67 1h69 s ILE 50 N 2.07 2.63 0.31 2.92 -4.36 -1.26 -5.00 121.20 118.51 1h69 s ILE 50 Ca 0.14 0.57 -0.19 0.00 -0.26 0.00 0.00 60.65 60.91 1h69 s ILE 50 Cb -0.16 -3.34 0.04 0.00 1.25 0.00 0.00 42.46 40.25 1h69 s ILE 50 CO 0.11 0.09 0.77 -0.94 0.24 0.00 0.00 174.94 175.21 1h69 s SER 51 N -0.72 -0.15 0.44 4.36 1.04 -1.26 -5.01 113.70 112.39 1h69 s SER 51 Ca 0.56 -0.79 0.31 0.00 0.48 0.00 0.00 55.95 56.51 1h69 s SER 51 Cb -0.38 0.75 1.44 0.00 0.10 0.00 0.00 66.02 67.93 1h69 s SER 51 CO 0.49 -1.44 1.92 0.03 0.98 0.00 0.00 173.24 175.22 1h69 h ARG 52 N 2.00 0.00 0.00 4.02 3.08 -1.96 -1.95 114.38 119.57 1h69 h ARG 52 Ca -0.24 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.81 1h69 h ARG 52 Cb 1.25 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.30 1h69 h ARG 52 CO 0.30 0.00 0.00 1.63 -1.07 0.00 0.00 179.97 180.83 1h69 n LYS 53 N -2.67 0.18 0.04 0.04 5.02 -1.26 -2.47 118.16 117.03 1h69 n LYS 53 Ca -0.00 0.33 0.08 0.00 -2.02 0.00 0.00 58.31 56.70 1h69 n LYS 53 Cb 0.18 -1.79 0.36 0.00 -0.02 0.00 0.00 35.03 33.75 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 -2.12 0.20 -4.21 4.39 8.00 -0.73 -4.27 116.55 117.81 1h69 n ASP 54 Ca 0.03 0.55 -0.37 0.00 0.71 0.00 0.00 54.79 55.71 1h69 n ASP 54 Cb 0.27 -0.59 -0.12 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 3.60 -1.30 0.53 1.09 -1.03 -0.49 121.20 120.50 1h69 s ILE 55 Ca 0.06 -1.52 -0.18 0.00 -1.10 0.00 0.00 60.65 57.92 1h69 s ILE 55 Cb 0.09 -3.21 0.03 0.00 -1.06 0.00 0.00 42.46 38.31 1h69 s ILE 55 CO 0.29 -0.40 1.93 0.35 -0.10 0.00 0.00 174.94 177.01 1h69 n THR 56 N 4.74 3.41 -2.00 2.92 -2.24 0.58 -4.80 114.28 116.90 1h69 n THR 56 Ca -0.09 -3.35 0.00 0.00 -2.27 0.00 0.00 64.05 58.34 1h69 n THR 56 Cb 0.43 -2.41 0.00 0.00 -2.10 0.00 0.00 70.33 66.25 1h69 n THR 56 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1h69 n GLY 57 N 4.97 -0.98 3.77 3.38 0.00 -1.26 -4.89 105.19 110.17 1h69 n GLY 57 Ca 0.50 -1.46 -0.40 0.00 0.00 0.00 0.00 46.02 44.66 1h69 n GLY 57 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1h69 s LYS 58 N -1.91 4.36 0.26 1.61 -2.85 -1.26 -5.02 119.74 114.93 1h69 s LYS 58 Ca 0.00 2.01 -0.16 0.00 -1.00 0.00 0.00 55.97 56.82 1h69 s LYS 58 Cb 0.00 -3.01 -0.08 0.00 -2.06 0.00 0.00 37.83 32.68 1h69 s LYS 58 CO 0.00 -0.11 0.69 -0.51 0.10 0.00 0.00 175.35 175.53 1h69 s LEU 59 N -1.87 4.19 0.47 2.77 1.43 -1.26 -4.98 118.68 119.44 1h69 s LEU 59 Ca 0.50 1.26 0.17 0.00 -1.03 0.00 0.00 54.13 55.03 1h69 s LEU 59 Cb -0.35 -3.80 1.14 0.00 0.03 0.00 0.00 46.19 43.21 1h69 s LEU 59 CO 0.46 -0.08 2.04 0.50 0.23 0.00 0.00 176.35 179.50 1h69 h LYS 60 N 2.79 0.00 -1.20 1.70 3.64 -1.95 -3.36 116.57 118.19 1h69 h LYS 60 Ca -0.48 0.00 -0.35 0.00 -1.27 0.00 0.00 60.65 58.55 1h69 h LYS 60 Cb 1.18 0.00 -0.25 0.00 -0.41 0.00 0.00 32.23 32.75 1h69 h LYS 60 CO 0.66 0.14 -0.73 -3.47 -2.27 0.00 0.00 179.45 173.78 1h69 n ASP 61 N -4.26 -1.89 0.32 4.20 -0.08 -1.26 -4.99 116.55 108.59 1h69 n ASP 61 Ca -0.02 -2.87 0.20 0.00 -1.51 0.00 0.00 54.79 50.58 1h69 n ASP 61 Cb 0.21 0.78 1.12 0.00 2.34 0.00 0.00 41.12 45.57 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 4.61 0.00 0.00 -0.67 0.13 -2.00 -2.27 132.00 131.80 1h69 h PRO 62 Ca 0.04 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.17 1h69 h PRO 62 Cb 0.99 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.12 1h69 h PRO 62 CO 0.28 0.00 0.00 0.00 -0.23 0.00 0.00 178.00 178.05 1h69 n ALA 63 N -2.16 2.24 -2.77 -0.56 0.00 -1.26 -4.22 120.51 111.78 1h69 n ALA 63 Ca -0.03 -0.10 -0.04 0.00 0.00 0.00 0.00 53.44 53.28 1h69 n ALA 63 Cb 0.08 -1.43 0.01 0.00 0.00 0.00 0.00 19.45 18.11 1h69 n ALA 63 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 1h69 s ASN 64 N -2.95 -1.44 -0.10 0.00 2.47 -0.86 -5.13 114.94 106.93 1h69 s ASN 64 Ca 0.15 -1.70 -0.30 0.00 0.42 0.00 0.00 52.86 51.43 1h69 s ASN 64 Cb 0.18 1.89 -0.03 0.00 -1.45 0.00 0.00 41.25 41.84 1h69 s ASN 64 CO 0.48 -0.05 1.33 0.12 -3.72 0.00 0.00 177.10 175.26 1h69 s PHE 65 N 0.90 2.78 -0.24 0.43 2.19 -1.19 -4.84 117.98 118.01 1h69 s PHE 65 Ca 0.30 0.89 0.02 0.00 0.33 0.00 0.00 56.93 58.47 1h69 s PHE 65 Cb -0.00 -3.57 0.06 0.00 -1.31 0.00 0.00 43.02 38.20 1h69 s PHE 65 CO -0.05 -2.06 -0.08 -0.65 1.83 0.00 0.00 175.22 174.21 1h69 s GLN 66 N 3.19 1.87 0.26 10.12 -0.21 -1.26 -5.03 119.66 128.58 1h69 s GLN 66 Ca 0.59 -1.13 -0.02 0.00 0.02 0.00 0.00 55.36 54.81 1h69 s GLN 66 Cb -0.25 -2.71 0.49 0.00 1.00 0.00 0.00 33.01 31.54 1h69 s GLN 66 CO 0.20 -0.59 1.77 -0.92 -2.12 0.00 0.00 175.29 173.63 1h69 h TYR 67 N 7.88 0.74 0.23 0.91 3.20 -1.98 -2.44 116.97 125.52 1h69 h TYR 67 Ca -0.18 0.03 -0.00 0.00 3.14 0.00 0.00 58.73 61.72 1h69 h TYR 67 Cb 1.06 -0.21 -0.02 0.00 1.54 0.00 0.00 36.73 39.10 1h69 h TYR 67 CO 0.56 0.20 -0.31 -1.35 -1.64 0.00 0.00 178.16 175.62 1h69 h PRO 68 N 0.63 -0.54 -0.36 1.82 0.11 -1.99 0.50 132.00 132.17 1h69 h PRO 68 Ca 0.44 0.04 0.02 0.00 0.11 0.00 0.00 66.00 66.61 1h69 h PRO 68 Cb 0.58 0.12 -0.03 0.00 0.11 0.00 0.00 31.00 31.79 1h69 h PRO 68 CO -0.34 -0.36 0.18 0.00 -0.21 0.00 0.00 178.00 177.27 1h69 h ALA 69 N -1.16 0.44 -0.76 -0.75 0.00 -1.99 -1.73 119.26 113.30 1h69 h ALA 69 Ca -0.03 0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 1h69 h ALA 69 Cb 0.50 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 18.19 1h69 h ALA 69 CO -0.08 -0.18 0.42 0.93 0.00 0.00 0.00 179.25 180.34 1h69 h GLU 70 N 0.38 1.07 -0.23 0.00 4.39 -1.41 -1.32 114.58 117.45 1h69 h GLU 70 Ca 0.15 -0.13 -0.14 0.00 0.34 0.00 0.00 59.36 59.58 1h69 h GLU 70 Cb 0.05 -0.21 -0.01 0.00 -0.10 0.00 0.00 28.75 28.48 1h69 h GLU 70 CO -0.10 0.80 -0.45 0.66 -1.16 0.00 0.00 179.01 178.76 1h69 h SER 71 N 1.06 0.62 -0.39 1.42 4.64 -0.68 -0.87 113.55 119.34 1h69 h SER 71 Ca 0.27 -0.29 -0.08 0.00 -0.47 0.00 0.00 61.79 61.22 1h69 h SER 71 Cb 0.04 -0.17 -0.01 0.00 -0.31 0.00 0.00 62.40 61.94 1h69 h SER 71 CO -0.04 0.98 -0.05 0.58 -0.87 0.00 0.00 176.83 177.43 1h69 h VAL 72 N 0.47 1.27 -0.37 0.95 2.07 -1.08 -0.61 116.25 118.94 1h69 h VAL 72 Ca 0.03 -1.10 -0.02 0.00 0.82 0.00 0.00 66.70 66.43 1h69 h VAL 72 Cb 0.97 1.19 -0.02 0.00 -1.52 0.00 0.00 31.29 31.91 1h69 h VAL 72 CO 0.09 0.37 0.17 0.25 0.02 0.00 0.00 177.57 178.46 1h69 h LEU 73 N 0.55 0.49 -1.04 2.57 5.85 -1.14 -0.29 115.31 122.31 1h69 h LEU 73 Ca 0.11 -0.14 0.06 0.00 0.84 0.00 0.00 57.88 58.74 1h69 h LEU 73 Cb 0.55 -0.13 -0.06 0.00 0.37 0.00 0.00 40.66 41.39 1h69 h LEU 73 CO 0.03 0.49 0.64 0.00 -0.34 0.00 0.00 178.44 179.27 1h69 h ALA 74 N 1.02 1.41 0.09 1.25 0.00 -1.02 -0.42 119.26 121.59 1h69 h ALA 74 Ca 0.13 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 55.00 1h69 h ALA 74 Cb 0.14 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 17.62 1h69 h ALA 74 CO -0.01 0.46 -0.04 -0.92 0.00 0.00 0.00 179.25 178.73 1h69 h TYR 75 N 1.18 -0.12 -0.48 0.00 3.20 -0.23 0.93 116.97 121.46 1h69 h TYR 75 Ca 0.42 -0.00 0.02 0.00 3.14 0.00 0.00 58.73 62.30 1h69 h TYR 75 Cb 0.13 0.04 -0.03 0.00 1.54 0.00 0.00 36.73 38.41 1h69 h TYR 75 CO -0.00 -0.00 0.29 0.87 -1.64 0.00 0.00 178.16 177.67 1h69 h LYS 76 N -0.20 0.56 -0.00 1.82 1.57 -0.51 -2.20 116.57 117.61 1h69 h LYS 76 Ca -0.01 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.73 1h69 h LYS 76 Cb 0.16 -0.13 0.00 0.00 0.08 0.00 0.00 32.23 32.35 1h69 h LYS 76 CO 0.02 0.37 -0.04 0.39 -0.57 0.00 0.00 179.45 179.62 1h69 n GLU 77 N -4.81 0.88 -2.75 3.15 1.02 -0.22 -4.93 120.64 112.98 1h69 n GLU 77 Ca 0.03 -0.22 -0.10 0.00 -0.02 0.00 0.00 57.16 56.85 1h69 n GLU 77 Cb 0.06 -1.50 0.02 0.00 -0.02 0.00 0.00 31.44 30.01 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 1.17 0.23 0.98 0.62 0.00 0.56 -4.95 105.19 103.80 1h69 n GLY 78 Ca 0.18 -0.34 0.02 0.00 0.00 0.00 0.00 46.02 45.88 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 -3.69 0.96 -2.74 1.61 8.25 0.29 -5.00 115.22 114.90 1h69 n HIS 79 Ca -0.03 -1.26 -0.36 0.00 -0.26 0.00 0.00 57.72 55.82 1h69 n HIS 79 Cb 0.54 -0.40 -0.06 0.00 1.12 0.00 0.00 29.99 31.19 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 -3.05 4.18 0.23 2.41 1.43 -1.23 -0.30 118.68 122.35 1h69 s LEU 80 Ca 0.43 1.83 -0.31 0.00 -1.03 0.00 0.00 54.13 55.05 1h69 s LEU 80 Cb 0.37 -4.21 -0.14 0.00 0.03 0.00 0.00 46.19 42.24 1h69 s LEU 80 CO 0.04 -0.25 1.33 -0.24 0.23 0.00 0.00 176.35 177.46 1h69 n SER 81 N 0.07 2.39 -0.28 2.29 2.88 0.35 -4.75 113.62 116.57 1h69 n SER 81 Ca 0.04 1.15 0.09 0.00 -1.33 0.00 0.00 58.87 58.82 1h69 n SER 81 Cb 0.51 -1.38 0.22 0.00 -0.75 0.00 0.00 64.21 62.82 1h69 n SER 81 CO 0.00 0.00 0.00 -0.65 -1.23 0.00 0.00 175.04 173.16 1h69 h PRO 82 N 3.85 0.16 -0.22 -1.46 0.11 -1.93 -0.42 132.00 132.09 1h69 h PRO 82 Ca -0.44 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.66 1h69 h PRO 82 Cb 1.29 -0.04 -0.01 0.00 0.11 0.00 0.00 31.00 32.36 1h69 h PRO 82 CO 0.73 0.11 0.15 0.38 -0.21 0.00 0.00 178.00 179.16 1h69 h ASP 83 N 0.17 0.24 -0.06 -2.05 2.03 -2.00 -0.31 116.42 114.45 1h69 h ASP 83 Ca 0.48 -0.01 -0.04 0.00 -0.73 0.00 0.00 57.03 56.73 1h69 h ASP 83 Cb 0.91 -0.06 0.00 0.00 -0.83 0.00 0.00 39.33 39.35 1h69 h ASP 83 CO -0.65 0.18 -0.13 0.40 -1.03 0.00 0.00 179.24 178.01 1h69 h ILE 84 N 0.29 1.43 -0.47 4.15 2.04 -1.44 -3.18 117.51 120.33 1h69 h ILE 84 Ca 0.08 -1.47 0.04 0.00 1.00 0.00 0.00 64.86 64.52 1h69 h ILE 84 Cb -0.02 2.26 -0.04 0.00 -0.74 0.00 0.00 36.82 38.28 1h69 h ILE 84 CO -0.02 0.41 0.23 0.58 0.00 0.00 0.00 178.15 179.35 1h69 h VAL 85 N -0.32 0.96 -0.77 1.67 2.07 -0.92 -1.26 116.25 117.67 1h69 h VAL 85 Ca -0.00 -0.16 0.14 0.00 0.82 0.00 0.00 66.70 67.50 1h69 h VAL 85 Cb 0.72 0.46 -0.05 0.00 -1.52 0.00 0.00 31.29 30.90 1h69 h VAL 85 CO 0.03 0.08 0.51 0.00 0.02 0.00 0.00 177.57 178.21 1h69 h ALA 86 N 1.25 2.02 0.05 1.67 0.00 -1.14 0.41 119.26 123.52 1h69 h ALA 86 Ca 0.20 0.00 -0.25 0.00 0.00 0.00 0.00 54.91 54.87 1h69 h ALA 86 Cb 0.12 -0.08 0.01 0.00 0.00 0.00 0.00 17.79 17.83 1h69 h ALA 86 CO -0.15 -0.22 -1.06 0.93 0.00 0.00 0.00 179.25 178.75 1h69 h GLU 87 N 0.49 0.43 -0.15 0.00 4.39 -1.34 -2.75 114.58 115.64 1h69 h GLU 87 Ca 0.38 -0.52 -0.04 0.00 0.34 0.00 0.00 59.36 59.51 1h69 h GLU 87 Cb 0.77 0.16 -0.01 0.00 -0.10 0.00 0.00 28.75 29.57 1h69 h GLU 87 CO -0.13 1.18 -0.11 1.96 -1.16 0.00 0.00 179.01 180.75 1h69 h GLN 88 N 0.21 0.23 -0.25 2.33 4.20 0.01 -1.31 115.11 120.53 1h69 h GLN 88 Ca -0.11 -0.05 -0.16 0.00 0.06 0.00 0.00 58.65 58.39 1h69 h GLN 88 Cb 1.72 -0.03 -0.01 0.00 0.30 0.00 0.00 27.48 29.46 1h69 h GLN 88 CO 0.19 0.35 -0.50 0.87 -0.67 0.00 0.00 178.83 179.07 1h69 h LYS 89 N 0.22 0.69 -0.64 1.46 1.57 -0.91 -1.77 116.57 117.20 1h69 h LYS 89 Ca 0.05 -0.41 -0.06 0.00 -1.87 0.00 0.00 60.65 58.35 1h69 h LYS 89 Cb 0.34 0.04 -0.03 0.00 0.08 0.00 0.00 32.23 32.66 1h69 h LYS 89 CO 0.02 1.03 0.14 0.87 -0.57 0.00 0.00 179.45 180.94 1h69 h LYS 90 N 0.54 1.01 -0.25 3.15 1.57 -1.08 -1.93 116.57 119.59 1h69 h LYS 90 Ca 0.02 -0.23 -0.04 0.00 -1.87 0.00 0.00 60.65 58.53 1h69 h LYS 90 Cb 1.06 -0.14 -0.01 0.00 0.08 0.00 0.00 32.23 33.23 1h69 h LYS 90 CO 0.10 0.90 0.01 -0.07 -0.57 0.00 0.00 179.45 179.83 1h69 h LEU 91 N 0.96 0.42 -1.56 2.94 3.38 -1.04 -2.21 115.31 118.20 1h69 h LEU 91 Ca 0.20 -0.29 -0.04 0.00 0.09 0.00 0.00 57.88 57.84 1h69 h LEU 91 Cb 0.36 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.98 1h69 h LEU 91 CO 0.00 0.61 -0.11 -0.33 0.09 0.00 0.00 178.44 178.71 1h69 h GLU 92 N 0.22 0.14 0.00 1.13 5.08 -1.19 -2.33 114.58 117.63 1h69 h GLU 92 Ca 0.07 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.40 1h69 h GLU 92 Cb 0.39 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.62 1h69 h GLU 92 CO 0.01 0.26 -0.33 0.00 -1.00 0.00 0.00 179.01 177.95 1h69 n ALA 93 N -2.50 2.69 -2.41 3.43 0.00 -0.74 -4.90 120.51 116.08 1h69 n ALA 93 Ca -0.01 -0.16 -0.38 0.00 0.00 0.00 0.00 53.44 52.89 1h69 n ALA 93 Cb 0.23 -1.30 -0.06 0.00 0.00 0.00 0.00 19.45 18.31 1h69 n ALA 93 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1h69 s ALA 94 N -3.11 3.65 -0.20 0.00 0.00 -0.84 -4.74 121.76 116.52 1h69 s ALA 94 Ca 0.09 -0.13 0.02 0.00 0.00 0.00 0.00 51.96 51.93 1h69 s ALA 94 Cb 0.14 -2.48 -0.21 0.00 0.00 0.00 0.00 23.12 20.57 1h69 s ALA 94 CO 0.66 0.46 0.02 -0.25 0.00 0.00 0.00 175.76 176.64 1h69 n ASP 95 N 1.64 1.77 -4.19 0.00 8.00 -0.34 -4.87 116.55 118.55 1h69 n ASP 95 Ca -0.12 0.01 -0.30 0.00 0.71 0.00 0.00 54.79 55.09 1h69 n ASP 95 Cb 0.52 -0.39 -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 -6.55 2.00 -0.12 0.64 2.96 -0.83 -1.53 118.68 115.25 1h69 s LEU 96 Ca -0.27 -0.49 0.02 0.00 -0.22 0.00 0.00 54.13 53.18 1h69 s LEU 96 Cb 0.08 -1.26 0.01 0.00 0.50 0.00 0.00 46.19 45.52 1h69 s LEU 96 CO 0.68 0.16 -0.19 -0.69 -1.32 0.00 0.00 176.35 175.00 1h69 s VAL 97 N 0.23 1.75 -0.16 1.68 1.01 -0.27 0.06 120.40 124.70 1h69 s VAL 97 Ca -0.13 -0.81 -0.02 0.00 0.00 0.00 0.00 61.98 61.03 1h69 s VAL 97 Cb -0.16 -1.57 -0.01 0.00 0.00 0.00 0.00 36.38 34.64 1h69 s VAL 97 CO 0.06 0.49 -0.09 -0.63 0.00 0.00 0.00 175.10 174.93 1h69 s ILE 98 N 0.81 3.27 -0.42 2.22 1.01 0.45 -1.53 121.20 127.02 1h69 s ILE 98 Ca -0.09 -0.56 -0.10 0.00 0.00 0.00 0.00 60.65 59.89 1h69 s ILE 98 Cb -0.16 -2.42 0.07 0.00 0.01 0.00 0.00 42.46 39.96 1h69 s ILE 98 CO 0.00 0.49 0.26 -0.36 0.00 0.00 0.00 174.94 175.33 1h69 s PHE 99 N 0.71 3.31 -0.38 3.97 0.08 -0.02 -0.17 117.98 125.49 1h69 s PHE 99 Ca -0.04 -1.34 -0.13 0.00 0.12 0.00 0.00 56.93 55.53 1h69 s PHE 99 Cb -0.15 -2.87 0.01 0.00 -0.57 0.00 0.00 43.02 39.44 1h69 s PHE 99 CO 0.02 -0.80 0.25 -1.14 -0.10 0.00 0.00 175.22 173.45 1h69 s GLN 100 N 1.48 3.05 0.15 0.44 2.00 0.37 -0.81 119.66 126.34 1h69 s GLN 100 Ca 0.03 -0.95 -0.20 0.00 -2.00 0.00 0.00 55.36 52.24 1h69 s GLN 100 Cb -0.22 -3.85 0.05 0.00 0.80 0.00 0.00 33.01 29.79 1h69 s GLN 100 CO 0.04 -0.66 0.52 -0.59 -0.50 0.00 0.00 175.29 174.10 1h69 s PHE 101 N 1.65 -0.38 0.00 1.67 -0.71 -0.88 -1.83 117.98 117.51 1h69 s PHE 101 Ca 0.04 0.11 -0.19 0.00 -1.04 0.00 0.00 56.93 55.85 1h69 s PHE 101 Cb -0.19 0.43 -0.06 0.00 -1.21 0.00 0.00 43.02 42.00 1h69 s PHE 101 CO 0.09 -0.80 0.55 -1.25 -1.34 0.00 0.00 175.22 172.47 1h69 s PRO 102 N -3.78 4.25 0.17 1.99 0.04 -1.26 -2.16 135.00 134.24 1h69 s PRO 102 Ca 0.02 0.67 -0.31 0.00 0.04 0.00 0.00 61.00 61.42 1h69 s PRO 102 Cb 0.00 -3.31 -0.10 0.00 0.04 0.00 0.00 34.50 31.13 1h69 s PRO 102 CO -0.12 0.45 1.57 -1.17 0.04 0.00 0.00 177.00 177.78 1h69 s LEU 103 N -0.44 4.37 -0.14 -3.56 2.96 0.95 -4.55 118.68 118.28 1h69 s LEU 103 Ca 0.29 2.64 -0.01 0.00 -0.22 0.00 0.00 54.13 56.83 1h69 s LEU 103 Cb -0.18 -3.60 0.04 0.00 0.50 0.00 0.00 46.19 42.95 1h69 s LEU 103 CO 0.16 -0.83 -0.04 -1.10 -1.32 0.00 0.00 176.35 173.23 1h69 s GLN 104 N 1.04 1.21 -1.32 1.98 -0.21 -0.68 -4.81 119.66 116.88 1h69 s GLN 104 Ca 0.70 -0.32 -0.03 0.00 0.02 0.00 0.00 55.36 55.73 1h69 s GLN 104 Cb -0.44 -1.71 -0.00 0.00 1.00 0.00 0.00 33.01 31.86 1h69 s GLN 104 CO 0.32 -0.39 0.59 0.91 -2.12 0.00 0.00 175.29 174.60 1h69 n TRP 105 N 4.96 -1.80 -3.01 0.91 7.02 -1.26 -2.20 117.44 122.06 1h69 n TRP 105 Ca -0.11 0.74 -0.21 0.00 -1.02 0.00 0.00 57.50 56.91 1h69 n TRP 105 Cb 0.49 -3.96 0.01 0.00 -2.42 0.00 0.00 31.31 25.42 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 -4.30 -1.74 -2.75 -5.99 3.01 -1.26 -4.88 117.46 99.55 1h69 n PHE 106 Ca -0.27 0.37 0.00 0.00 1.01 0.00 0.00 57.45 58.56 1h69 n PHE 106 Cb 0.67 -3.54 0.00 0.00 -0.01 0.00 0.00 39.48 36.60 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 -1.22 1.93 3.87 1.37 0.00 -0.94 -4.93 105.19 105.27 1h69 n GLY 107 Ca -0.09 -0.80 -0.30 0.00 0.00 0.00 0.00 46.02 44.82 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 -2.67 4.73 0.66 1.61 -7.23 -1.26 -1.68 120.40 114.56 1h69 s VAL 108 Ca 0.00 0.74 -0.18 0.00 -1.81 0.00 0.00 61.98 60.73 1h69 s VAL 108 Cb 0.00 -3.76 -0.00 0.00 0.56 0.00 0.00 36.38 33.18 1h69 s VAL 108 CO 0.00 -0.65 1.29 -2.84 -0.31 0.00 0.00 175.10 172.59 1h69 s PRO 109 N -4.11 2.46 0.37 4.82 0.02 -1.26 -4.69 135.00 132.61 1h69 s PRO 109 Ca 0.53 2.06 0.08 0.00 0.02 0.00 0.00 61.00 63.69 1h69 s PRO 109 Cb -0.10 -1.83 0.80 0.00 0.02 0.00 0.00 34.50 33.39 1h69 s PRO 109 CO 0.35 -1.67 1.94 0.00 -0.33 0.00 0.00 177.00 177.29 1h69 h ALA 110 N 0.42 1.79 -0.33 -1.55 0.00 -1.95 0.36 119.26 117.99 1h69 h ALA 110 Ca -0.51 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.36 1h69 h ALA 110 Cb 1.34 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.95 1h69 h ALA 110 CO 0.52 0.07 0.08 0.97 0.00 0.00 0.00 179.25 180.89 1h69 h ILE 111 N 0.69 1.16 0.20 0.00 2.10 -1.96 0.81 117.51 120.51 1h69 h ILE 111 Ca 0.34 -0.55 -0.27 0.00 1.08 0.00 0.00 64.86 65.47 1h69 h ILE 111 Cb 0.42 0.82 0.03 0.00 -1.09 0.00 0.00 36.82 36.99 1h69 h ILE 111 CO -0.12 0.20 -1.18 0.25 -1.08 0.00 0.00 178.15 176.21 1h69 h LEU 112 N 0.47 0.65 -0.74 2.19 5.85 -1.63 -2.24 115.31 119.86 1h69 h LEU 112 Ca 0.11 -0.93 0.11 0.00 0.84 0.00 0.00 57.88 58.01 1h69 h LEU 112 Cb 0.18 -0.21 -0.08 0.00 0.37 0.00 0.00 40.66 40.92 1h69 h LEU 112 CO -0.00 1.57 0.36 0.50 -0.34 0.00 0.00 178.44 180.52 1h69 h LYS 113 N -0.12 0.57 -0.06 1.25 1.63 -0.53 0.98 116.57 120.30 1h69 h LYS 113 Ca -0.21 -0.03 -0.08 0.00 -0.85 0.00 0.00 60.65 59.47 1h69 h LYS 113 Cb 1.91 -0.13 -0.01 0.00 -0.60 0.00 0.00 32.23 33.40 1h69 h LYS 113 CO 0.21 0.38 -0.34 0.78 -3.45 0.00 0.00 179.45 177.02 1h69 h GLY 114 N 0.59 0.12 0.95 5.01 0.00 -0.88 -1.84 103.07 107.02 1h69 h GLY 114 Ca 0.38 -0.10 -0.02 0.00 0.00 0.00 0.00 47.33 47.59 1h69 h GLY 114 CO -0.30 0.09 0.19 -0.25 0.00 0.00 0.00 176.54 176.26 1h69 h TRP 115 N 0.10 0.63 -0.04 5.60 7.01 -0.22 -0.87 115.95 128.16 1h69 h TRP 115 Ca 0.01 -0.04 -0.00 0.00 2.11 0.00 0.00 58.89 60.97 1h69 h TRP 115 Cb 0.66 -0.19 -0.00 0.00 -2.10 0.00 0.00 29.16 27.53 1h69 h TRP 115 CO 0.01 0.54 0.02 0.74 -2.79 0.00 0.00 178.44 176.95 1h69 h PHE 116 N 0.55 0.06 -0.82 2.65 0.04 -0.90 0.83 116.94 119.35 1h69 h PHE 116 Ca 0.14 -0.00 0.09 0.00 2.80 0.00 0.00 57.97 61.00 1h69 h PHE 116 Cb 0.16 -0.02 -0.06 0.00 2.20 0.00 0.00 35.95 38.23 1h69 h PHE 116 CO -0.00 0.17 0.53 0.93 -0.60 0.00 0.00 178.31 179.34 1h69 h GLU 117 N -0.06 0.78 0.00 1.51 5.08 -1.14 0.23 114.58 120.98 1h69 h GLU 117 Ca 0.01 -0.05 -0.16 0.00 -1.00 0.00 0.00 59.36 58.16 1h69 h GLU 117 Cb 0.13 -0.18 -0.03 0.00 0.50 0.00 0.00 28.75 29.18 1h69 h GLU 117 CO -0.00 0.52 -1.64 0.54 -1.00 0.00 0.00 179.01 177.42 1h69 n ARG 118 N -4.50 0.64 -0.03 2.33 1.74 -0.35 -4.52 116.66 111.96 1h69 n ARG 118 Ca 0.13 0.11 -0.21 0.00 -0.77 0.00 0.00 57.85 57.11 1h69 n ARG 118 Cb 0.29 -1.72 -0.13 0.00 -1.02 0.00 0.00 32.46 29.88 1h69 n ARG 118 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 1h69 n VAL 119 N -2.75 1.70 -1.78 1.55 0.31 0.28 -4.53 118.33 113.11 1h69 n VAL 119 Ca -0.12 -0.56 -0.42 0.00 -0.01 0.00 0.00 64.34 63.23 1h69 n VAL 119 Cb 0.83 -1.73 -0.00 0.00 -0.91 0.00 0.00 33.84 32.03 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 -3.58 3.33 -2.87 3.52 3.01 0.78 -4.80 117.46 116.83 1h69 n PHE 120 Ca -0.35 -2.96 -0.33 0.00 1.01 0.00 0.00 57.45 54.82 1h69 n PHE 120 Cb 0.99 -2.46 -0.07 0.00 -0.01 0.00 0.00 39.48 37.94 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 2.63 4.47 0.70 4.37 -1.09 -1.26 -4.81 121.20 126.22 1h69 s ILE 121 Ca 0.48 1.33 -0.16 0.00 -2.23 0.00 0.00 60.65 60.07 1h69 s ILE 121 Cb 0.14 -3.61 0.02 0.00 -1.58 0.00 0.00 42.46 37.43 1h69 s ILE 121 CO -0.07 -0.31 1.22 0.61 -1.23 0.00 0.00 174.94 175.15 1h69 n GLY 122 N -0.64 0.24 4.33 6.18 0.00 -1.26 -0.95 105.19 113.09 1h69 n GLY 122 Ca 0.06 -0.27 0.00 0.00 0.00 0.00 0.00 46.02 45.81 1h69 n GLY 122 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1h69 n GLU 123 N -2.27 0.00 -0.01 1.61 -0.58 0.27 -4.57 120.64 115.09 1h69 n GLU 123 Ca 0.15 0.00 -0.08 0.00 -0.42 0.00 0.00 57.16 56.81 1h69 n GLU 123 Cb 0.49 0.00 -0.07 0.00 -0.57 0.00 0.00 31.44 31.29 1h69 n GLU 123 CO 0.00 0.00 0.00 0.35 -0.48 0.00 0.00 177.13 177.00 1h69 h PHE 124 N 0.00 -0.09 0.00 -0.32 3.57 -1.91 -3.39 116.94 114.80 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 0.03 0.00 0.00 2.79 0.00 0.00 35.95 38.77 1h69 h PHE 124 CO 0.00 0.37 -1.28 0.00 -2.23 0.00 0.00 178.31 175.17 1h69 n ALA 125 N -2.65 3.69 -3.67 2.41 0.00 -0.12 -4.82 120.51 115.34 1h69 n ALA 125 Ca -0.06 -0.50 -0.01 0.00 0.00 0.00 0.00 53.44 52.87 1h69 n ALA 125 Cb 0.24 -0.85 -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 -3.22 -0.09 -0.00 0.00 1.13 -1.26 -4.45 117.35 109.46 1h69 s TYR 126 Ca 0.02 -0.09 -0.17 0.00 -1.41 0.00 0.00 57.07 55.42 1h69 s TYR 126 Cb 0.15 0.58 0.03 0.00 -1.10 0.00 0.00 41.96 41.62 1h69 s TYR 126 CO 0.85 -0.51 0.36 0.95 -2.51 0.00 0.00 175.55 174.70 1h69 s THR 127 N -2.80 0.05 -0.29 -3.49 -4.23 -1.26 0.95 115.64 104.57 1h69 s THR 127 Ca 0.13 -0.45 0.28 0.00 -1.18 0.00 0.00 61.69 60.47 1h69 s THR 127 Cb 0.02 -0.73 0.32 0.00 1.34 0.00 0.00 72.50 73.44 1h69 s THR 127 CO -0.02 -0.25 1.81 1.88 -0.54 0.00 0.00 174.62 177.51 1h69 h TYR 128 N 3.60 0.00 0.00 3.99 0.05 -2.00 -2.54 116.97 120.08 1h69 h TYR 128 Ca -0.30 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.48 1h69 h TYR 128 Cb 1.18 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.92 1h69 h TYR 128 CO 0.49 0.00 -0.49 0.00 -1.05 0.00 0.00 178.16 177.11 1h69 n ALA 129 N -1.93 3.01 -2.70 3.88 0.00 -1.26 -4.19 120.51 117.32 1h69 n ALA 129 Ca 0.02 -0.25 -0.07 0.00 0.00 0.00 0.00 53.44 53.14 1h69 n ALA 129 Cb 0.31 -1.21 0.03 0.00 0.00 0.00 0.00 19.45 18.59 1h69 n ALA 129 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1h69 n ALA 130 N -1.70 3.25 -1.11 0.00 0.00 -0.98 -5.06 120.51 114.91 1h69 n ALA 130 Ca 0.04 -3.07 -0.31 0.00 0.00 0.00 0.00 53.44 50.11 1h69 n ALA 130 Cb 0.40 -0.90 0.12 0.00 0.00 0.00 0.00 19.45 19.07 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 -3.35 1.75 3.35 0.00 1.00 -1.06 -1.11 119.30 119.88 1h69 s MET 131 Ca 0.28 1.18 0.00 0.00 0.00 0.00 0.00 55.69 57.16 1h69 s MET 131 Cb 0.42 -1.84 0.00 0.00 0.00 0.00 0.00 34.83 33.41 1h69 s MET 131 CO 0.01 -2.01 0.00 0.66 0.00 0.00 0.00 175.02 173.68 1h69 n TYR 132 N -3.77 0.00 0.27 -0.03 4.01 0.04 -2.50 117.16 115.18 1h69 n TYR 132 Ca 0.09 0.00 0.15 0.00 -0.16 0.00 0.00 57.90 57.98 1h69 n TYR 132 Cb 0.53 0.00 0.70 0.00 -0.31 0.00 0.00 39.34 40.26 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 -0.12 7.72 3.04 -1.87 0.45 116.42 125.65 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 0.00 0.29 -2.04 0.00 0.00 179.24 177.49 1h69 n LYS 134 N -3.03 1.96 -0.69 4.15 5.02 -1.04 -4.78 118.16 119.76 1h69 n LYS 134 Ca 0.01 -1.42 -0.30 0.00 -2.02 0.00 0.00 58.31 54.58 1h69 n LYS 134 Cb 0.54 -1.46 0.20 0.00 -0.02 0.00 0.00 35.03 34.29 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 -1.80 1.62 0.61 0.72 0.00 0.16 -4.75 107.32 103.87 1h69 s GLY 135 Ca 0.34 0.21 0.31 0.00 0.00 0.00 0.00 44.72 45.58 1h69 s GLY 135 CO 0.30 0.77 2.09 -2.55 0.00 0.00 0.00 173.10 173.71 1h69 h PRO 136 N -2.16 0.00 -0.55 2.90 0.11 -1.76 -2.46 132.00 128.08 1h69 h PRO 136 Ca -0.52 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.59 1h69 h PRO 136 Cb 1.30 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.41 1h69 h PRO 136 CO 0.47 0.00 0.00 1.19 -0.21 0.00 0.00 178.00 179.45 1h69 n PHE 137 N -3.59 1.83 0.10 0.65 3.72 -0.36 -4.62 117.46 115.19 1h69 n PHE 137 Ca 0.01 -0.72 0.18 0.00 -0.05 0.00 0.00 57.45 56.87 1h69 n PHE 137 Cb 0.33 -0.44 0.74 0.00 -0.94 0.00 0.00 39.48 39.18 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 3.74 0.00 -0.01 -1.08 0.11 -1.34 0.21 114.38 116.01 1h69 h ARG 138 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 1h69 h ARG 138 Cb 1.81 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.89 1h69 h ARG 138 CO 0.41 0.00 -0.08 0.43 0.10 0.00 0.00 179.97 180.82 1h69 n SER 139 N -4.06 0.77 -4.83 0.08 7.64 -1.26 -4.63 113.62 107.33 1h69 n SER 139 Ca 0.06 -0.95 -0.22 0.00 1.01 0.00 0.00 58.87 58.77 1h69 n SER 139 Cb 0.49 -0.01 -0.04 0.00 -1.01 0.00 0.00 64.21 63.64 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 -2.27 2.79 -0.03 1.43 1.02 0.74 -4.97 119.74 118.45 1h69 s LYS 140 Ca 0.34 -1.20 0.04 0.00 0.02 0.00 0.00 55.97 55.17 1h69 s LYS 140 Cb 0.20 -2.50 -0.01 0.00 -0.52 0.00 0.00 37.83 35.01 1h69 s LYS 140 CO 0.43 0.24 -0.15 0.15 -0.92 0.00 0.00 175.35 175.09 1h69 s LYS 141 N -3.91 1.44 0.11 1.68 1.02 -0.58 -1.67 119.74 117.82 1h69 s LYS 141 Ca 0.37 -0.54 0.09 0.00 0.02 0.00 0.00 55.97 55.91 1h69 s LYS 141 Cb -0.07 -1.31 -0.04 0.00 -0.52 0.00 0.00 37.83 35.89 1h69 s LYS 141 CO 0.25 0.26 -0.23 0.00 -0.92 0.00 0.00 175.35 174.72 1h69 s ALA 142 N -0.10 1.99 -0.07 5.17 0.00 -0.13 -1.11 121.76 127.52 1h69 s ALA 142 Ca 0.00 -1.33 -0.05 0.00 0.00 0.00 0.00 51.96 50.59 1h69 s ALA 142 Cb -0.09 -0.28 0.02 0.00 0.00 0.00 0.00 23.12 22.77 1h69 s ALA 142 CO 0.01 0.41 0.17 0.08 0.00 0.00 0.00 175.76 176.43 1h69 s VAL 143 N -1.17 -0.02 -0.26 0.00 1.01 -0.58 -0.70 120.40 118.67 1h69 s VAL 143 Ca 0.09 0.06 -0.11 0.00 0.00 0.00 0.00 61.98 62.02 1h69 s VAL 143 Cb -0.10 -0.25 -0.05 0.00 0.00 0.00 0.00 36.38 35.98 1h69 s VAL 143 CO 0.05 0.02 0.17 -0.76 0.00 0.00 0.00 175.10 174.59 1h69 s LEU 144 N 0.48 4.04 -0.38 3.92 1.43 -1.26 -0.84 118.68 126.07 1h69 s LEU 144 Ca -0.03 0.03 -0.08 0.00 -1.03 0.00 0.00 54.13 53.02 1h69 s LEU 144 Cb -0.05 -2.11 0.06 0.00 0.03 0.00 0.00 46.19 44.13 1h69 s LEU 144 CO -0.02 -0.01 0.18 -0.55 0.23 0.00 0.00 176.35 176.18 1h69 s SER 145 N 1.49 5.47 0.05 2.29 0.15 0.01 -0.49 113.70 122.67 1h69 s SER 145 Ca 0.07 -1.35 0.07 0.00 0.70 0.00 0.00 55.95 55.44 1h69 s SER 145 Cb -0.15 -1.93 -0.03 0.00 -1.71 0.00 0.00 66.02 62.20 1h69 s SER 145 CO 0.08 -0.43 -0.16 -0.63 1.20 0.00 0.00 173.24 173.30 1h69 s ILE 146 N 1.40 2.95 0.07 6.45 1.01 0.32 -2.06 121.20 131.33 1h69 s ILE 146 Ca 0.01 -1.18 0.09 0.00 0.00 0.00 0.00 60.65 59.57 1h69 s ILE 146 Cb -0.21 -2.27 -0.03 0.00 0.01 0.00 0.00 42.46 39.95 1h69 s ILE 146 CO 0.02 0.30 -0.25 0.42 0.00 0.00 0.00 174.94 175.43 1h69 s THR 147 N -0.98 2.02 0.20 2.92 -4.23 -0.92 -1.19 115.64 113.45 1h69 s THR 147 Ca 0.16 -1.43 0.01 0.00 -1.18 0.00 0.00 61.69 59.24 1h69 s THR 147 Cb -0.11 -1.75 -0.05 0.00 1.34 0.00 0.00 72.50 71.93 1h69 s THR 147 CO 0.07 0.24 0.06 0.42 -0.54 0.00 0.00 174.62 174.87 1h69 s THR 148 N -0.88 0.46 -0.13 3.99 -4.23 -0.98 -0.03 115.64 113.84 1h69 s THR 148 Ca 0.11 -1.98 0.08 0.00 -1.18 0.00 0.00 61.69 58.72 1h69 s THR 148 Cb -0.10 -2.33 -0.23 0.00 1.34 0.00 0.00 72.50 71.18 1h69 s THR 148 CO 0.03 -0.26 0.33 0.61 -0.54 0.00 0.00 174.62 174.79 1h69 n GLY 149 N -0.29 -0.81 3.76 3.99 0.00 -1.26 -1.67 105.19 108.91 1h69 n GLY 149 Ca -0.03 -0.19 -0.39 0.00 0.00 0.00 0.00 46.02 45.41 1h69 n GLY 149 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1h69 s GLY 150 N -5.51 3.02 0.69 -0.02 0.00 -1.26 -4.04 107.32 100.20 1h69 s GLY 150 Ca -0.14 0.64 -0.15 0.00 0.00 0.00 0.00 44.72 45.07 1h69 s GLY 150 CO 0.78 1.18 1.15 -1.35 0.00 0.00 0.00 173.10 174.86 1h69 s SER 151 N -1.26 4.69 0.27 1.64 1.04 -1.26 -2.53 113.70 116.28 1h69 s SER 151 Ca 0.45 2.14 -0.01 0.00 0.48 0.00 0.00 55.95 59.01 1h69 s SER 151 Cb -0.25 -2.57 0.50 0.00 0.10 0.00 0.00 66.02 63.80 1h69 s SER 151 CO 0.31 -1.92 1.81 1.23 0.98 0.00 0.00 173.24 175.65 1h69 h GLY 152 N -0.15 1.47 1.59 7.32 0.00 -1.96 -1.05 103.07 110.29 1h69 h GLY 152 Ca -0.47 -0.35 -0.01 0.00 0.00 0.00 0.00 47.33 46.50 1h69 h GLY 152 CO 0.52 0.11 0.19 1.48 0.00 0.00 0.00 176.54 178.84 1h69 h SER 153 N 0.85 0.48 0.03 0.19 4.64 -1.98 -0.60 113.55 117.16 1h69 h SER 153 Ca 0.46 -0.04 -0.00 0.00 -0.47 0.00 0.00 61.79 61.74 1h69 h SER 153 Cb 0.49 -0.12 -0.00 0.00 -0.31 0.00 0.00 62.40 62.45 1h69 h SER 153 CO -0.28 0.41 -0.01 0.24 -0.87 0.00 0.00 176.83 176.33 1h69 h MET 154 N 0.55 0.00 -0.53 4.77 2.07 -1.55 -2.04 114.93 118.19 1h69 h MET 154 Ca 0.14 0.00 0.00 0.00 -2.07 0.00 0.00 59.70 57.77 1h69 h MET 154 Cb 0.06 0.00 0.00 0.00 -1.87 0.00 0.00 31.60 29.79 1h69 h MET 154 CO -0.02 0.01 0.00 0.66 1.07 0.00 0.00 176.91 178.63 1h69 n TYR 155 N -3.75 0.96 -2.13 -0.22 4.01 -0.25 -1.95 117.16 113.82 1h69 n TYR 155 Ca -0.03 -0.58 -0.27 0.00 -0.16 0.00 0.00 57.90 56.86 1h69 n TYR 155 Cb 0.09 -0.12 0.12 0.00 -0.31 0.00 0.00 39.34 39.13 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 -1.08 4.04 0.54 7.72 1.04 -0.77 -1.97 113.70 123.22 1h69 s SER 156 Ca 0.40 0.27 0.24 0.00 0.48 0.00 0.00 55.95 57.34 1h69 s SER 156 Cb 0.24 -0.62 1.40 0.00 0.10 0.00 0.00 66.02 67.15 1h69 s SER 156 CO 0.22 -2.12 2.04 -0.07 0.98 0.00 0.00 173.24 174.30 1h69 h LEU 157 N -1.04 0.00 -1.73 2.42 3.38 -1.87 -0.75 115.31 115.71 1h69 h LEU 157 Ca -0.43 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.54 1h69 h LEU 157 Cb 1.28 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.03 1h69 h LEU 157 CO 0.49 0.00 -0.02 0.00 0.09 0.00 0.00 178.44 178.99 1h69 n GLN 158 N -4.33 1.80 -1.95 1.13 3.00 -1.26 -4.64 117.38 111.13 1h69 n GLN 158 Ca 0.06 -1.66 -0.33 0.00 -0.01 0.00 0.00 57.00 55.05 1h69 n GLN 158 Cb 0.45 -1.39 0.03 0.00 0.00 0.00 0.00 30.24 29.32 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 -1.72 2.22 0.48 1.08 0.00 -0.29 -4.95 107.32 104.14 1h69 s GLY 159 Ca 0.23 0.53 0.15 0.00 0.00 0.00 0.00 44.72 45.64 1h69 s GLY 159 CO 0.27 0.87 2.06 0.16 0.00 0.00 0.00 173.10 176.46 1h69 h ILE 160 N 0.38 0.95 0.01 0.90 3.07 -1.81 -1.47 117.51 119.54 1h69 h ILE 160 Ca -0.47 -0.08 -0.21 0.00 1.55 0.00 0.00 64.86 65.65 1h69 h ILE 160 Cb 1.24 0.71 -0.02 0.00 -0.27 0.00 0.00 36.82 38.47 1h69 h ILE 160 CO 0.56 0.04 -0.97 0.45 -1.05 0.00 0.00 178.15 177.18 1h69 h HIS 161 N 0.22 0.08 0.00 0.16 3.86 -1.74 -3.50 115.15 114.23 1h69 h HIS 161 Ca 0.15 -0.05 0.00 0.00 -1.16 0.00 0.00 60.37 59.30 1h69 h HIS 161 Cb 0.30 -0.01 0.00 0.00 1.06 0.00 0.00 27.41 28.77 1h69 h HIS 161 CO -0.00 0.98 0.00 0.41 0.86 0.00 0.00 177.93 180.18 1h69 n GLY 162 N 1.19 0.73 3.64 2.45 0.00 -0.56 -4.97 105.19 107.66 1h69 n GLY 162 Ca -0.01 -2.06 -0.51 0.00 0.00 0.00 0.00 46.02 43.43 1h69 n GLY 162 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1h69 n ASP 163 N -0.03 2.90 0.30 1.61 2.03 -1.23 -4.20 116.55 117.93 1h69 n ASP 163 Ca 0.00 0.85 0.16 0.00 0.52 0.00 0.00 54.79 56.33 1h69 n ASP 163 Cb 0.00 -1.30 0.94 0.00 -0.72 0.00 0.00 41.12 40.05 1h69 n ASP 163 CO 0.00 0.00 0.00 -0.03 -1.92 0.00 0.00 177.20 175.25 1h69 h MET 164 N 9.59 0.00 0.00 -0.67 1.85 -1.70 -2.01 114.93 121.99 1h69 h MET 164 Ca -0.43 0.00 -0.04 0.00 -0.61 0.00 0.00 59.70 58.62 1h69 h MET 164 Cb 1.29 0.00 -0.01 0.00 0.43 0.00 0.00 31.60 33.32 1h69 h MET 164 CO 0.97 0.02 -0.18 -0.91 -0.40 0.00 0.00 176.91 176.41 1h69 h ASN 165 N 0.00 0.00 0.05 1.39 2.35 -1.89 -1.82 115.58 115.66 1h69 h ASN 165 Ca -0.00 0.00 -0.25 0.00 -0.55 0.00 0.00 56.30 55.50 1h69 h ASN 165 Cb 0.08 0.00 0.01 0.00 0.05 0.00 0.00 38.32 38.47 1h69 h ASN 165 CO 0.00 0.18 -0.96 0.58 -1.65 0.00 0.00 177.43 175.59 1h69 h VAL 166 N 0.00 1.31 -0.32 2.81 2.07 -1.75 -2.91 116.25 117.45 1h69 h VAL 166 Ca -0.00 -2.23 -0.07 0.00 0.82 0.00 0.00 66.70 65.22 1h69 h VAL 166 Cb 0.34 2.30 -0.02 0.00 -1.52 0.00 0.00 31.29 32.39 1h69 h VAL 166 CO 0.02 0.69 -0.08 0.40 0.02 0.00 0.00 177.57 178.62 1h69 h ILE 167 N 0.39 1.22 0.00 4.57 2.04 -1.48 -2.91 117.51 121.34 1h69 h ILE 167 Ca -0.10 -0.95 -0.10 0.00 1.00 0.00 0.00 64.86 64.71 1h69 h ILE 167 Cb 1.60 1.06 -0.01 0.00 -0.74 0.00 0.00 36.82 38.73 1h69 h ILE 167 CO 0.18 0.32 -0.49 -0.07 0.00 0.00 0.00 178.15 178.10 1h69 h LEU 168 N 0.50 0.00 -0.43 1.44 3.38 -1.37 -3.39 115.31 115.45 1h69 h LEU 168 Ca 0.10 0.00 0.09 0.00 0.09 0.00 0.00 57.88 58.16 1h69 h LEU 168 Cb 0.44 0.00 -0.09 0.00 0.09 0.00 0.00 40.66 41.10 1h69 h LEU 168 CO 0.02 0.49 -0.22 -0.25 0.09 0.00 0.00 178.44 178.56 1h69 h TRP 169 N 0.00 -0.58 -0.23 1.13 2.91 -1.30 -0.61 115.95 117.27 1h69 h TRP 169 Ca -0.00 0.05 0.03 0.00 1.13 0.00 0.00 58.89 60.10 1h69 h TRP 169 Cb 1.32 0.32 -0.01 0.00 -0.51 0.00 0.00 29.16 30.28 1h69 h TRP 169 CO 0.00 -0.30 0.16 -1.35 -1.03 0.00 0.00 178.44 175.91 1h69 h PRO 170 N -0.14 0.15 0.00 2.65 0.11 -1.75 0.41 132.00 133.44 1h69 h PRO 170 Ca 0.20 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.30 1h69 h PRO 170 Cb 0.46 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 31.54 1h69 h PRO 170 CO -0.51 0.10 -0.12 0.82 -0.21 0.00 0.00 178.00 178.08 1h69 h ILE 171 N 0.16 0.00 -0.61 4.15 2.04 -1.65 -2.83 117.51 118.77 1h69 h ILE 171 Ca 0.10 -0.77 -0.03 0.00 1.00 0.00 0.00 64.86 65.16 1h69 h ILE 171 Cb 0.20 0.00 -0.03 0.00 -0.74 0.00 0.00 36.82 36.25 1h69 h ILE 171 CO -0.02 0.00 0.26 1.56 0.00 0.00 0.00 178.15 179.96 1h69 h GLN 172 N -0.77 0.91 0.00 2.37 4.20 -1.15 0.08 115.11 120.75 1h69 h GLN 172 Ca 0.00 -0.16 -0.01 0.00 0.06 0.00 0.00 58.65 58.54 1h69 h GLN 172 Cb 0.12 -0.15 -0.00 0.00 0.30 0.00 0.00 27.48 27.74 1h69 h GLN 172 CO 0.00 0.76 -0.32 1.03 -0.67 0.00 0.00 178.83 179.63 1h69 h SER 173 N 0.85 0.00 -0.15 1.46 0.87 -1.11 0.68 113.55 116.14 1h69 h SER 173 Ca 0.21 -0.06 -0.02 0.00 -1.23 0.00 0.00 61.79 60.69 1h69 h SER 173 Cb 0.18 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.13 1h69 h SER 173 CO -0.02 0.69 0.05 1.23 -0.53 0.00 0.00 176.83 178.25 1h69 h GLY 174 N -1.00 0.33 0.00 5.77 0.00 -1.37 -1.36 103.07 105.44 1h69 h GLY 174 Ca -0.02 -0.15 0.00 0.00 0.00 0.00 0.00 47.33 47.16 1h69 h GLY 174 CO -0.01 0.15 -0.75 1.39 0.00 0.00 0.00 176.54 177.32 1h69 n ILE 175 N -4.41 1.35 0.35 2.60 5.41 -0.12 -4.46 119.36 120.09 1h69 n ILE 175 Ca 0.00 0.21 -0.15 0.00 1.00 0.00 0.00 62.75 63.81 1h69 n ILE 175 Cb 0.15 -2.15 -0.07 0.00 -0.71 0.00 0.00 39.64 36.86 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 -0.75 -0.78 -1.30 1.39 3.38 -1.25 -3.22 115.31 112.78 1h69 h LEU 176 Ca 0.00 0.02 -0.07 0.00 0.09 0.00 0.00 57.88 57.92 1h69 h LEU 176 Cb 0.75 0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.69 1h69 h LEU 176 CO 0.00 -0.40 -0.27 -0.74 0.09 0.00 0.00 178.44 177.12 1h69 h HIS 177 N -1.22 0.13 -0.20 1.13 2.76 -0.85 -2.24 115.15 114.66 1h69 h HIS 177 Ca -0.09 -0.02 0.04 0.00 -2.20 0.00 0.00 60.37 58.10 1h69 h HIS 177 Cb 0.72 -0.03 -0.01 0.00 1.55 0.00 0.00 27.41 29.63 1h69 h HIS 177 CO 0.00 0.39 0.14 0.35 -1.30 0.00 0.00 177.93 177.51 1h69 h PHE 178 N 0.11 0.07 -0.46 5.26 3.04 -1.32 0.14 116.94 123.78 1h69 h PHE 178 Ca 0.02 0.00 0.00 0.00 3.98 0.00 0.00 57.97 61.97 1h69 h PHE 178 Cb 0.55 -0.02 0.00 0.00 2.56 0.00 0.00 35.95 39.03 1h69 h PHE 178 CO 0.00 0.04 0.00 0.00 -2.02 0.00 0.00 178.31 176.33 1h69 n GLY 180 N 1.21 1.40 3.68 0.00 0.00 0.50 -1.22 105.19 110.75 1h69 n GLY 180 Ca 0.15 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.74 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 2.13 -2.95 1.61 3.72 -1.03 -3.00 117.46 115.94 1h69 n PHE 181 Ca 0.00 0.52 -0.41 0.00 -0.05 0.00 0.00 57.45 57.51 1h69 n PHE 181 Cb 0.00 -2.42 -0.04 0.00 -0.94 0.00 0.00 39.48 36.08 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 -1.20 4.28 -0.23 -1.08 -0.21 -0.67 -4.25 119.66 116.30 1h69 s GLN 182 Ca 0.61 0.92 -0.10 0.00 0.02 0.00 0.00 55.36 56.81 1h69 s GLN 182 Cb -0.62 -3.57 -0.05 0.00 1.00 0.00 0.00 33.01 29.78 1h69 s GLN 182 CO 0.56 -0.29 0.15 0.08 -2.12 0.00 0.00 175.29 173.67 1h69 s VAL 183 N 2.02 5.28 0.66 1.09 1.01 -1.26 -0.96 120.40 128.24 1h69 s VAL 183 Ca 0.36 0.15 -0.03 0.00 0.00 0.00 0.00 61.98 62.46 1h69 s VAL 183 Cb -0.16 -3.45 0.07 0.00 0.00 0.00 0.00 36.38 32.84 1h69 s VAL 183 CO 0.12 0.36 0.94 -0.76 0.00 0.00 0.00 175.10 175.76 1h69 s LEU 184 N 0.95 3.01 0.26 3.92 1.43 0.12 -0.68 118.68 127.69 1h69 s LEU 184 Ca 0.07 0.11 -0.31 0.00 -1.03 0.00 0.00 54.13 52.97 1h69 s LEU 184 Cb -0.13 -2.75 -0.12 0.00 0.03 0.00 0.00 46.19 43.22 1h69 s LEU 184 CO 0.03 -1.54 1.66 -1.61 0.23 0.00 0.00 176.35 175.12 1h69 s GLU 185 N -5.08 4.11 0.44 1.70 2.02 -1.26 -4.69 118.70 115.94 1h69 s GLU 185 Ca 0.61 2.61 -0.23 0.00 0.02 0.00 0.00 54.97 57.98 1h69 s GLU 185 Cb -0.09 -3.04 -0.08 0.00 0.10 0.00 0.00 34.13 31.02 1h69 s GLU 185 CO 0.43 -0.69 1.15 -1.25 0.02 0.00 0.00 175.26 174.91 1h69 s PRO 186 N 0.15 3.87 -0.63 0.39 0.04 -1.26 -4.69 135.00 132.86 1h69 s PRO 186 Ca 0.68 1.74 -0.19 0.00 0.04 0.00 0.00 61.00 63.27 1h69 s PRO 186 Cb -0.49 -2.47 0.11 0.00 0.04 0.00 0.00 34.50 31.69 1h69 s PRO 186 CO 0.42 -0.45 0.77 -1.14 0.04 0.00 0.00 177.00 176.63 1h69 s GLN 187 N -2.61 3.12 -0.40 4.56 2.00 0.35 -5.00 119.66 121.67 1h69 s GLN 187 Ca 0.62 -1.36 -0.15 0.00 -2.00 0.00 0.00 55.36 52.47 1h69 s GLN 187 Cb -0.28 -4.32 0.02 0.00 0.80 0.00 0.00 33.01 29.24 1h69 s GLN 187 CO 0.34 -1.58 0.29 -0.51 -0.50 0.00 0.00 175.29 173.33 1h69 s LEU 188 N 2.71 5.06 -0.46 3.68 1.43 -1.26 -0.52 118.68 129.32 1h69 s LEU 188 Ca 0.14 -0.88 -0.04 0.00 -1.03 0.00 0.00 54.13 52.32 1h69 s LEU 188 Cb -0.21 -2.15 0.12 0.00 0.03 0.00 0.00 46.19 43.98 1h69 s LEU 188 CO 0.05 -0.44 0.28 0.42 0.23 0.00 0.00 176.35 176.89 1h69 s THR 189 N 1.68 3.59 0.75 5.49 -4.23 -0.33 -5.02 115.64 117.56 1h69 s THR 189 Ca 0.05 -2.15 -0.11 0.00 -1.18 0.00 0.00 61.69 58.30 1h69 s THR 189 Cb -0.19 -3.41 0.04 0.00 1.34 0.00 0.00 72.50 70.28 1h69 s THR 189 CO 0.10 -0.75 1.08 -0.31 -0.54 0.00 0.00 174.62 174.20 1h69 s TYR 190 N 0.98 2.94 -0.50 3.99 2.02 -1.26 -2.31 117.35 123.20 1h69 s TYR 190 Ca 0.09 1.33 -0.07 0.00 -0.37 0.00 0.00 57.07 58.05 1h69 s TYR 190 Cb -0.23 -2.99 0.01 0.00 -0.40 0.00 0.00 41.96 38.35 1h69 s TYR 190 CO -0.03 -1.52 0.13 -1.13 -1.57 0.00 0.00 175.55 171.43 1h69 n SER 191 N -3.30 -0.62 0.25 2.29 3.41 -0.93 -4.77 113.62 109.95 1h69 n SER 191 Ca 0.07 -0.48 0.13 0.00 -0.26 0.00 0.00 58.87 58.33 1h69 n SER 191 Cb 0.54 -0.58 0.78 0.00 -0.26 0.00 0.00 64.21 64.69 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 0.52 0.73 0.00 -1.33 6.09 -1.50 0.14 117.51 122.15 1h69 h ILE 192 Ca -0.25 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 63.24 1h69 h ILE 192 Cb 0.52 0.96 0.00 0.00 0.47 0.00 0.00 36.82 38.77 1h69 h ILE 192 CO 0.22 0.00 0.00 0.61 -3.07 0.00 0.00 178.15 175.91 1h69 n GLY 193 N -1.44 -1.18 1.75 8.18 0.00 -1.26 -3.28 105.19 107.97 1h69 n GLY 193 Ca -0.02 -0.15 -0.11 0.00 0.00 0.00 0.00 46.02 45.74 1h69 n GLY 193 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1h69 n HIS 194 N -1.22 1.67 -4.68 1.61 8.25 0.03 -5.02 115.22 115.86 1h69 n HIS 194 Ca 0.16 -1.92 -0.28 0.00 -0.26 0.00 0.00 57.72 55.42 1h69 n HIS 194 Cb 0.20 -0.29 -0.17 0.00 1.12 0.00 0.00 29.99 30.86 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 -3.85 1.52 0.68 1.59 2.01 -1.20 -5.04 115.64 111.34 1h69 s THR 195 Ca 0.43 -0.68 -0.17 0.00 0.31 0.00 0.00 61.69 61.58 1h69 s THR 195 Cb 0.39 -1.36 -0.04 0.00 0.01 0.00 0.00 72.50 71.50 1h69 s THR 195 CO -0.01 0.44 0.71 -2.65 -0.69 0.00 0.00 174.62 172.42 1h69 n PRO 196 N 3.91 0.48 -0.34 4.92 -0.02 -1.26 -4.73 135.00 137.96 1h69 n PRO 196 Ca -0.20 0.21 0.01 0.00 -2.02 0.00 0.00 63.50 61.50 1h69 n PRO 196 Cb 0.52 -1.96 0.18 0.00 -0.02 0.00 0.00 33.50 32.21 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 -0.10 1.40 -0.44 3.55 0.00 -1.99 -1.48 119.26 120.19 1h69 h ALA 197 Ca -0.46 -0.04 -0.14 0.00 0.00 0.00 0.00 54.91 54.27 1h69 h ALA 197 Cb 1.36 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 18.80 1h69 h ALA 197 CO 0.46 0.50 -0.26 0.38 0.00 0.00 0.00 179.25 180.33 1h69 h ASP 198 N 1.19 0.96 -0.69 0.00 2.03 -2.00 -2.45 116.42 115.46 1h69 h ASP 198 Ca 0.38 -0.38 -0.05 0.00 -0.73 0.00 0.00 57.03 56.25 1h69 h ASP 198 Cb 0.03 -0.27 -0.03 0.00 -0.83 0.00 0.00 39.33 38.24 1h69 h ASP 198 CO -0.12 1.16 0.24 0.00 -1.03 0.00 0.00 179.24 179.49 1h69 h ALA 199 N 0.90 1.09 -0.67 4.15 0.00 -1.76 -2.16 119.26 120.80 1h69 h ALA 199 Ca 0.09 -0.21 -0.06 0.00 0.00 0.00 0.00 54.91 54.74 1h69 h ALA 199 Cb 0.83 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 18.32 1h69 h ALA 199 CO 0.07 0.63 0.19 0.00 0.00 0.00 0.00 179.25 180.14 1h69 h ARG 200 N 1.04 1.05 -0.35 0.00 3.08 -1.13 -0.00 114.38 118.06 1h69 h ARG 200 Ca 0.23 -0.23 -0.03 0.00 0.07 0.00 0.00 59.98 60.02 1h69 h ARG 200 Cb 0.26 -0.15 -0.02 0.00 0.08 0.00 0.00 29.97 30.15 1h69 h ARG 200 CO -0.01 0.91 0.08 0.82 -1.07 0.00 0.00 179.97 180.69 1h69 h ILE 201 N 1.00 1.17 -0.01 2.04 2.04 -0.99 -1.64 117.51 121.13 1h69 h ILE 201 Ca 0.22 -0.61 -0.17 0.00 1.00 0.00 0.00 64.86 65.30 1h69 h ILE 201 Cb 0.32 0.82 -0.02 0.00 -0.74 0.00 0.00 36.82 37.20 1h69 h ILE 201 CO -0.00 0.22 -0.77 1.56 0.00 0.00 0.00 178.15 179.15 1h69 h GLN 202 N 0.51 0.08 -0.37 2.37 1.08 -0.72 -2.48 115.11 115.58 1h69 h GLN 202 Ca 0.12 -0.08 -0.05 0.00 -1.45 0.00 0.00 58.65 57.20 1h69 h GLN 202 Cb 0.21 0.02 -0.01 0.00 -0.05 0.00 0.00 27.48 27.65 1h69 h GLN 202 CO -0.00 0.81 0.04 0.82 -0.95 0.00 0.00 178.83 179.55 1h69 h ILE 203 N 0.05 1.24 -0.21 2.54 2.04 -0.15 0.45 117.51 123.47 1h69 h ILE 203 Ca -0.02 -0.89 0.00 0.00 1.00 0.00 0.00 64.86 64.96 1h69 h ILE 203 Cb 1.36 1.11 -0.01 0.00 -0.74 0.00 0.00 36.82 38.54 1h69 h ILE 203 CO 0.11 0.30 0.14 -0.07 0.00 0.00 0.00 178.15 178.62 1h69 h LEU 204 N 0.45 0.25 -1.02 1.44 3.38 -1.30 -0.96 115.31 117.55 1h69 h LEU 204 Ca 0.11 -0.02 -0.07 0.00 0.09 0.00 0.00 57.88 58.00 1h69 h LEU 204 Cb 0.39 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 41.06 1h69 h LEU 204 CO 0.01 0.19 -0.02 -0.33 0.09 0.00 0.00 178.44 178.38 1h69 h GLU 205 N 0.28 0.68 -0.70 1.13 4.39 -1.31 -1.56 114.58 117.49 1h69 h GLU 205 Ca 0.08 -0.18 -0.07 0.00 0.34 0.00 0.00 59.36 59.53 1h69 h GLU 205 Cb -0.02 -0.08 -0.03 0.00 -0.10 0.00 0.00 28.75 28.52 1h69 h GLU 205 CO -0.02 0.71 0.15 0.78 -1.16 0.00 0.00 179.01 179.48 1h69 h GLY 206 N 0.94 1.21 0.99 -3.84 0.00 -0.52 0.30 103.07 102.15 1h69 h GLY 206 Ca 0.13 -0.77 -0.05 0.00 0.00 0.00 0.00 47.33 46.63 1h69 h GLY 206 CO 0.02 0.72 0.13 -0.25 0.00 0.00 0.00 176.54 177.16 1h69 h TRP 207 N 1.06 0.91 -0.49 5.60 -0.00 -0.80 -1.94 115.95 120.29 1h69 h TRP 207 Ca 0.22 -0.11 -0.10 0.00 -0.00 0.00 0.00 58.89 58.90 1h69 h TRP 207 Cb 0.39 -0.26 -0.02 0.00 -0.00 0.00 0.00 29.16 29.28 1h69 h TRP 207 CO 0.03 0.79 -0.08 0.87 -0.00 0.00 0.00 178.44 180.05 1h69 h LYS 208 N 0.76 0.88 -0.37 2.65 1.57 -0.90 -2.30 116.57 118.86 1h69 h LYS 208 Ca 0.17 -0.29 0.01 0.00 -1.87 0.00 0.00 60.65 58.67 1h69 h LYS 208 Cb 0.34 -0.07 -0.02 0.00 0.08 0.00 0.00 32.23 32.56 1h69 h LYS 208 CO 0.00 0.93 0.23 -0.22 -0.57 0.00 0.00 179.45 179.82 1h69 h LYS 209 N 0.79 0.46 -0.57 3.15 3.11 -0.69 -2.74 116.57 120.08 1h69 h LYS 209 Ca 0.13 -0.03 -0.05 0.00 -2.81 0.00 0.00 60.65 57.90 1h69 h LYS 209 Cb 0.59 -0.10 -0.03 0.00 -1.00 0.00 0.00 32.23 31.69 1h69 h LYS 209 CO 0.04 0.31 0.16 -0.09 -2.81 0.00 0.00 179.45 177.06 1h69 h ARG 210 N 0.48 0.86 0.00 1.90 2.43 -1.15 -2.72 114.38 116.17 1h69 h ARG 210 Ca 0.14 -0.16 -0.02 0.00 -0.81 0.00 0.00 59.98 59.13 1h69 h ARG 210 Cb -0.03 -0.13 -0.00 0.00 -0.42 0.00 0.00 29.97 29.38 1h69 h ARG 210 CO -0.04 0.75 -0.09 -0.07 -1.51 0.00 0.00 179.97 179.00 1h69 h LEU 211 N 0.83 0.00 -1.34 3.80 3.38 -1.13 -1.22 115.31 119.63 1h69 h LEU 211 Ca 0.19 0.00 0.04 0.00 0.09 0.00 0.00 57.88 58.20 1h69 h LEU 211 Cb 0.26 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 40.97 1h69 h LEU 211 CO -0.01 0.09 0.47 -0.33 0.09 0.00 0.00 178.44 178.76 1h69 h GLU 212 N 0.00 0.82 0.00 1.13 5.08 -1.26 -3.07 114.58 117.27 1h69 h GLU 212 Ca -0.00 -0.05 -0.02 0.00 -1.00 0.00 0.00 59.36 58.29 1h69 h GLU 212 Cb 0.42 -0.18 -0.03 0.00 0.50 0.00 0.00 28.75 29.46 1h69 h GLU 212 CO 0.01 0.54 -0.32 0.09 -1.00 0.00 0.00 179.01 178.34 1h69 n ASN 213 N -4.46 1.73 -0.36 1.42 3.02 -1.01 -4.86 115.26 110.75 1h69 n ASN 213 Ca 0.09 -3.12 0.08 0.00 -0.03 0.00 0.00 54.58 51.61 1h69 n ASN 213 Cb 0.15 -0.42 0.25 0.00 -0.61 0.00 0.00 39.78 39.15 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 1.83 0.87 0.00 2.41 6.09 -1.13 -2.29 117.51 125.28 1h69 h ILE 214 Ca -0.02 -0.32 0.00 0.00 -1.37 0.00 0.00 64.86 63.15 1h69 h ILE 214 Cb 1.13 -0.14 0.00 0.00 0.47 0.00 0.00 36.82 38.28 1h69 h ILE 214 CO 0.01 0.17 0.00 1.87 -3.07 0.00 0.00 178.15 177.13 1h69 n TRP 215 N -4.66 0.14 -0.06 2.19 -0.00 -1.26 -2.35 117.44 111.44 1h69 n TRP 215 Ca 0.20 0.05 0.11 0.00 -0.00 0.00 0.00 57.50 57.86 1h69 n TRP 215 Cb 0.40 -0.59 0.29 0.00 -0.00 0.00 0.00 31.31 31.42 1h69 n TRP 215 CO 0.00 0.00 0.00 -0.25 -0.00 0.00 0.00 177.69 177.44 1h69 n ASP 216 N -1.62 3.58 -4.81 5.87 8.00 -0.86 -4.95 116.55 121.75 1h69 n ASP 216 Ca 0.03 -1.99 -0.35 0.00 0.71 0.00 0.00 54.79 53.20 1h69 n ASP 216 Cb 0.19 -0.41 -0.07 0.00 -0.02 0.00 0.00 41.12 40.81 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 -1.18 4.32 -0.13 -1.24 2.02 -0.99 -5.04 118.70 116.46 1h69 s GLU 217 Ca 0.44 1.10 -0.23 0.00 0.02 0.00 0.00 54.97 56.30 1h69 s GLU 217 Cb 0.24 -2.49 -0.03 0.00 0.10 0.00 0.00 34.13 31.95 1h69 s GLU 217 CO 0.31 0.14 0.72 -0.08 0.02 0.00 0.00 175.26 176.37 1h69 s THR 218 N -1.90 4.99 0.86 3.63 -1.32 -1.26 -5.05 115.64 115.60 1h69 s THR 218 Ca 0.55 1.43 -0.12 0.00 -1.21 0.00 0.00 61.69 62.34 1h69 s THR 218 Cb -0.13 -4.04 0.11 0.00 -1.51 0.00 0.00 72.50 66.92 1h69 s THR 218 CO 0.18 0.15 1.11 -2.16 -2.21 0.00 0.00 174.62 171.69 1h69 s PRO 219 N 1.47 1.57 0.88 7.08 0.04 -1.26 -4.65 135.00 140.13 1h69 s PRO 219 Ca 0.35 0.57 -0.11 0.00 0.04 0.00 0.00 61.00 61.85 1h69 s PRO 219 Cb -0.17 -1.87 0.12 0.00 0.04 0.00 0.00 34.50 32.63 1h69 s PRO 219 CO 0.14 -1.96 1.17 1.28 0.04 0.00 0.00 177.00 177.67 1h69 n LEU 220 N -3.65 3.77 -4.62 -3.56 4.77 0.14 -4.24 117.00 109.60 1h69 n LEU 220 Ca 0.07 0.49 -0.37 0.00 -0.03 0.00 0.00 56.01 56.16 1h69 n LEU 220 Cb 0.57 -1.49 -0.10 0.00 -2.33 0.00 0.00 43.42 40.07 1h69 n LEU 220 CO 0.57 -1.98 -0.18 -0.47 -1.33 0.00 0.00 177.39 174.00 1h69 s TYR 221 N -2.44 3.27 0.06 -1.77 5.04 -1.26 -4.81 117.35 115.44 1h69 s TYR 221 Ca 0.70 0.16 0.08 0.00 -2.44 0.00 0.00 57.07 55.57 1h69 s TYR 221 Cb -0.25 -2.32 -0.03 0.00 0.35 0.00 0.00 41.96 39.71 1h69 s TYR 221 CO 0.55 -0.05 -0.23 -0.06 -1.34 0.00 0.00 175.55 174.43 1h69 s PHE 222 N 1.39 1.97 0.22 4.97 0.08 -1.26 -4.87 117.98 120.48 1h69 s PHE 222 Ca 0.07 -0.39 -0.32 0.00 0.12 0.00 0.00 56.93 56.41 1h69 s PHE 222 Cb -0.15 -1.16 -0.12 0.00 -0.57 0.00 0.00 43.02 41.03 1h69 s PHE 222 CO 0.07 0.14 1.69 0.00 -0.10 0.00 0.00 175.22 177.02 1h69 n ALA 223 N 1.65 2.67 -1.77 5.36 0.00 -1.26 -4.93 120.51 122.23 1h69 n ALA 223 Ca -0.17 0.40 -0.39 0.00 0.00 0.00 0.00 53.44 53.28 1h69 n ALA 223 Cb 0.53 -2.50 -0.00 0.00 0.00 0.00 0.00 19.45 17.48 1h69 n ALA 223 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.50 175.36 1h69 s PRO 224 N 0.89 3.87 0.00 0.00 0.02 -1.26 -4.89 135.00 133.63 1h69 s PRO 224 Ca 0.74 2.05 0.08 0.00 0.02 0.00 0.00 61.00 63.88 1h69 s PRO 224 Cb -0.52 -2.64 0.34 0.00 0.02 0.00 0.00 34.50 31.70 1h69 s PRO 224 CO 0.35 -0.54 1.25 -1.13 -0.33 0.00 0.00 177.00 176.60 1h69 n SER 225 N -0.09 0.00 0.00 2.53 3.41 -1.26 -1.87 113.62 116.35 1h69 n SER 225 Ca 0.05 0.49 0.11 0.00 -0.26 0.00 0.00 58.87 59.26 1h69 n SER 225 Cb 0.45 -0.49 0.55 0.00 -0.26 0.00 0.00 64.21 64.45 1h69 n SER 225 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1h69 n SER 226 N -1.49 0.00 -0.57 4.04 3.41 -1.26 -2.44 113.62 115.31 1h69 n SER 226 Ca 0.02 0.18 0.13 0.00 -0.26 0.00 0.00 58.87 58.94 1h69 n SER 226 Cb 0.09 -0.38 0.43 0.00 -0.26 0.00 0.00 64.21 64.10 1h69 n SER 226 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1h69 n LEU 227 N -1.38 1.75 -4.32 1.04 4.77 -0.78 -4.90 117.00 113.18 1h69 n LEU 227 Ca 0.09 -0.64 -0.23 0.00 -0.03 0.00 0.00 56.01 55.20 1h69 n LEU 227 Cb 0.22 -0.04 -0.12 0.00 -2.33 0.00 0.00 43.42 41.15 1h69 n LEU 227 CO 0.19 0.32 -0.50 -0.36 -1.33 0.00 0.00 177.39 175.71 1h69 s PHE 228 N -1.92 1.85 -0.91 -1.77 0.40 -1.02 -0.35 117.98 114.27 1h69 s PHE 228 Ca 0.36 -0.44 -0.19 0.00 -0.60 0.00 0.00 56.93 56.05 1h69 s PHE 228 Cb 0.20 -0.96 0.12 0.00 0.51 0.00 0.00 43.02 42.89 1h69 s PHE 228 CO 0.31 0.29 1.13 -0.51 0.70 0.00 0.00 175.22 177.14 1h69 s ASP 229 N -2.34 6.58 -0.16 1.36 1.01 -0.33 -4.76 116.67 118.03 1h69 s ASP 229 Ca 0.12 -1.91 -0.03 0.00 0.71 0.00 0.00 52.55 51.44 1h69 s ASP 229 Cb -0.08 -2.41 -0.11 0.00 1.01 0.00 0.00 42.92 41.33 1h69 s ASP 229 CO 0.06 -1.12 1.99 0.18 0.21 0.00 0.00 175.17 176.49 1h69 n LEU 230 N 6.79 2.86 -4.01 1.23 4.77 -1.26 -3.08 117.00 124.29 1h69 n LEU 230 Ca 0.22 -1.96 -0.11 0.00 -0.03 0.00 0.00 56.01 54.13 1h69 n LEU 230 Cb 0.49 -0.75 -0.11 0.00 -2.33 0.00 0.00 43.42 40.72 1h69 n LEU 230 CO 0.53 0.52 -0.38 0.54 -1.33 0.00 0.00 177.39 177.26 1h69 s ASN 231 N 2.74 0.52 0.61 -1.43 2.20 -1.26 -4.98 114.94 113.34 1h69 s ASN 231 Ca 0.33 -0.51 0.31 0.00 -0.94 0.00 0.00 52.86 52.05 1h69 s ASN 231 Cb 0.14 0.07 1.77 0.00 -2.00 0.00 0.00 41.25 41.23 1h69 s ASN 231 CO -0.01 -0.25 2.12 -0.26 -2.94 0.00 0.00 177.10 175.76 1h69 h PHE 232 N 4.62 0.00 0.75 1.54 0.04 -1.97 -2.78 116.94 119.15 1h69 h PHE 232 Ca -0.34 0.00 -0.04 0.00 2.80 0.00 0.00 57.97 60.40 1h69 h PHE 232 Cb 1.21 0.00 0.01 0.00 2.20 0.00 0.00 35.95 39.36 1h69 h PHE 232 CO 0.65 0.00 -0.36 0.37 -0.60 0.00 0.00 178.31 178.37 1h69 h GLN 233 N 0.00 -0.98 0.00 1.51 5.75 -1.96 -3.03 115.11 116.41 1h69 h GLN 233 Ca 0.06 0.07 0.00 0.00 -0.15 0.00 0.00 58.65 58.63 1h69 h GLN 233 Cb 0.44 0.22 0.00 0.00 1.07 0.00 0.00 27.48 29.21 1h69 h GLN 233 CO -0.00 -0.64 0.00 0.00 -2.65 0.00 0.00 178.83 175.54 1h69 n ALA 234 N -2.66 2.28 -2.57 3.38 0.00 -1.12 -4.88 120.51 114.94 1h69 n ALA 234 Ca -0.13 -0.13 -0.16 0.00 0.00 0.00 0.00 53.44 53.02 1h69 n ALA 234 Cb 0.41 -1.37 0.01 0.00 0.00 0.00 0.00 19.45 18.49 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 0.54 -0.25 4.18 0.00 0.00 -1.06 -3.06 105.19 105.53 1h69 n GLY 235 Ca 0.14 -0.16 -0.34 0.00 0.00 0.00 0.00 46.02 45.66 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 -4.11 -1.73 -3.48 1.61 3.01 -1.16 -4.96 117.46 106.64 1h69 n PHE 236 Ca -0.14 0.79 -0.26 0.00 1.01 0.00 0.00 57.45 58.86 1h69 n PHE 236 Cb 0.62 -3.10 -0.02 0.00 -0.01 0.00 0.00 39.48 36.97 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 -7.23 4.09 0.49 4.37 1.43 -1.17 -4.73 118.68 115.94 1h69 s LEU 237 Ca 0.60 0.48 -0.22 0.00 -1.03 0.00 0.00 54.13 53.95 1h69 s LEU 237 Cb -0.33 -3.30 -0.08 0.00 0.03 0.00 0.00 46.19 42.51 1h69 s LEU 237 CO 0.92 -0.19 1.04 0.23 0.23 0.00 0.00 176.35 178.58 1h69 n MET 238 N -1.28 1.30 -1.94 1.70 2.81 -1.26 -1.19 117.12 117.25 1h69 n MET 238 Ca -0.04 0.47 -0.41 0.00 -1.81 0.00 0.00 57.70 55.91 1h69 n MET 238 Cb 0.55 -2.16 -0.01 0.00 -0.71 0.00 0.00 33.22 30.89 1h69 n MET 238 CO 0.00 0.00 0.00 0.15 1.51 0.00 0.00 175.97 177.63 1h69 s LYS 239 N -2.32 4.22 0.51 0.03 1.02 0.52 -4.69 119.74 119.03 1h69 s LYS 239 Ca 0.67 2.41 0.21 0.00 0.02 0.00 0.00 55.97 59.28 1h69 s LYS 239 Cb -0.49 -3.03 1.30 0.00 -0.52 0.00 0.00 37.83 35.09 1h69 s LYS 239 CO 0.53 -0.40 2.02 0.87 -0.92 0.00 0.00 175.35 177.46 1h69 h LYS 240 N 3.49 0.08 -0.12 1.68 1.57 -1.90 -0.90 116.57 120.47 1h69 h LYS 240 Ca -0.49 -0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.25 1h69 h LYS 240 Cb 1.23 -0.02 -0.00 0.00 0.08 0.00 0.00 32.23 33.52 1h69 h LYS 240 CO 0.67 0.05 -0.04 0.93 -0.57 0.00 0.00 179.45 180.49 1h69 h GLU 241 N 0.08 0.24 -0.84 3.15 3.07 -1.97 -1.87 114.58 116.45 1h69 h GLU 241 Ca 0.20 -0.10 0.03 0.00 -0.50 0.00 0.00 59.36 59.00 1h69 h GLU 241 Cb 0.71 -0.01 -0.05 0.00 -0.84 0.00 0.00 28.75 28.57 1h69 h GLU 241 CO -0.02 0.56 0.55 0.28 -1.40 0.00 0.00 179.01 178.98 1h69 h VAL 242 N -0.09 1.15 -0.16 3.13 2.07 -1.60 0.16 116.25 120.90 1h69 h VAL 242 Ca 0.03 -0.36 -0.01 0.00 0.82 0.00 0.00 66.70 67.18 1h69 h VAL 242 Cb 0.48 0.01 -0.01 0.00 -1.52 0.00 0.00 31.29 30.25 1h69 h VAL 242 CO 0.01 0.19 0.06 1.56 0.02 0.00 0.00 177.57 179.41 1h69 h GLN 243 N 1.05 0.25 -0.38 1.57 4.20 -1.06 0.24 115.11 120.96 1h69 h GLN 243 Ca 0.33 -0.05 -0.00 0.00 0.06 0.00 0.00 58.65 58.99 1h69 h GLN 243 Cb 0.01 -0.04 -0.02 0.00 0.30 0.00 0.00 27.48 27.73 1h69 h GLN 243 CO -0.09 0.35 0.23 -0.44 -0.67 0.00 0.00 178.83 178.20 1h69 h ASP 244 N 0.10 0.47 -0.51 1.46 3.32 -0.73 -0.81 116.42 119.72 1h69 h ASP 244 Ca 0.05 -0.07 -0.02 0.00 0.02 0.00 0.00 57.03 57.02 1h69 h ASP 244 Cb 0.20 -0.12 -0.02 0.00 0.22 0.00 0.00 39.33 39.61 1h69 h ASP 244 CO -0.00 0.40 0.26 -0.33 -1.72 0.00 0.00 179.24 177.84 1h69 h GLU 245 N 0.50 0.72 0.00 3.56 5.08 -0.89 -2.29 114.58 121.27 1h69 h GLU 245 Ca 0.14 -0.10 -0.02 0.00 -1.00 0.00 0.00 59.36 58.38 1h69 h GLU 245 Cb 0.02 -0.13 -0.00 0.00 0.50 0.00 0.00 28.75 29.13 1h69 h GLU 245 CO -0.02 0.59 -0.09 1.49 -1.00 0.00 0.00 179.01 179.98 1h69 h GLU 246 N 0.67 0.00 0.00 2.33 4.57 -0.15 -2.43 114.58 119.57 1h69 h GLU 246 Ca 0.18 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.36 1h69 h GLU 246 Cb 0.10 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.69 1h69 h GLU 246 CO -0.02 0.09 0.00 0.87 -1.18 0.00 0.00 179.01 178.76 1h69 h LYS 247 N 0.00 0.00 -0.44 1.92 1.57 -0.54 -1.29 116.57 117.79 1h69 h LYS 247 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1h69 h LYS 247 Cb 0.25 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.56 1h69 h LYS 247 CO 0.01 0.00 0.00 0.09 -0.57 0.00 0.00 179.45 178.98 1h69 n ASN 248 N -2.73 4.39 -4.64 0.86 3.02 -0.92 -4.94 115.26 110.30 1h69 n ASN 248 Ca -0.02 -2.71 -0.35 0.00 -0.03 0.00 0.00 54.58 51.47 1h69 n ASN 248 Cb 0.07 -0.54 -0.10 0.00 -0.61 0.00 0.00 39.78 38.60 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 -2.31 3.71 0.19 3.52 -0.14 -0.49 -5.02 119.74 119.20 1h69 s LYS 249 Ca 0.45 -0.37 -0.10 0.00 -1.36 0.00 0.00 55.97 54.58 1h69 s LYS 249 Cb 0.32 -3.08 0.10 0.00 -1.68 0.00 0.00 37.83 33.50 1h69 s LYS 249 CO 0.15 0.38 1.74 -0.22 -0.76 0.00 0.00 175.35 176.65 1h69 h LYS 250 N 6.29 1.00 -6.22 1.68 3.64 -1.92 -3.44 116.57 117.60 1h69 h LYS 250 Ca -0.40 -0.19 -0.65 0.00 -1.27 0.00 0.00 60.65 58.15 1h69 h LYS 250 Cb 1.18 -0.16 -0.11 0.00 -0.41 0.00 0.00 32.23 32.73 1h69 h LYS 250 CO 0.65 0.84 -0.63 -0.06 -2.27 0.00 0.00 179.45 177.98 1h69 s PHE 251 N -5.54 3.09 1.04 1.91 0.08 -1.26 -4.07 117.98 113.24 1h69 s PHE 251 Ca -0.13 0.05 -0.14 0.00 0.12 0.00 0.00 56.93 56.84 1h69 s PHE 251 Cb 0.14 -1.61 0.21 0.00 -0.57 0.00 0.00 43.02 41.19 1h69 s PHE 251 CO 0.81 0.49 1.10 0.20 -0.10 0.00 0.00 175.22 177.72 1h69 s GLY 252 N -2.09 1.57 0.26 4.36 0.00 -0.11 -4.94 107.32 106.37 1h69 s GLY 252 Ca 0.25 -0.50 0.11 0.00 0.00 0.00 0.00 44.72 44.58 1h69 s GLY 252 CO 0.17 0.17 1.56 1.41 0.00 0.00 0.00 173.10 176.41 1h69 h LEU 253 N -2.03 0.00 0.00 0.66 3.38 -1.20 -3.38 115.31 112.73 1h69 h LEU 253 Ca -0.53 0.00 0.02 0.00 0.09 0.00 0.00 57.88 57.46 1h69 h LEU 253 Cb 1.33 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.07 1h69 h LEU 253 CO 0.54 0.65 0.06 -1.54 0.09 0.00 0.00 178.44 178.24 1h69 n SER 254 N -3.68 -0.15 0.05 -0.43 3.41 -1.15 -4.68 113.62 106.99 1h69 n SER 254 Ca -0.01 -1.07 -0.12 0.00 -0.26 0.00 0.00 58.87 57.40 1h69 n SER 254 Cb 0.66 0.24 -0.08 0.00 -0.26 0.00 0.00 64.21 64.78 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 1.09 1.04 -0.09 -3.33 2.07 -1.91 -2.46 116.25 112.66 1h69 h VAL 255 Ca -0.02 -0.24 -0.16 0.00 0.82 0.00 0.00 66.70 67.10 1h69 h VAL 255 Cb 0.11 1.20 -0.01 0.00 -1.52 0.00 0.00 31.29 31.07 1h69 h VAL 255 CO 0.03 0.06 -0.64 1.23 0.02 0.00 0.00 177.57 178.27 1h69 h GLY 256 N -0.15 0.38 -5.47 2.17 0.00 -1.96 -3.25 103.07 94.79 1h69 h GLY 256 Ca -0.00 -0.49 -0.72 0.00 0.00 0.00 0.00 47.33 46.12 1h69 h GLY 256 CO 0.01 0.43 0.42 1.42 0.00 0.00 0.00 176.54 178.82 1h69 n HIS 257 N -3.87 3.21 0.31 5.60 -0.00 -1.19 -4.66 115.22 114.62 1h69 n HIS 257 Ca -0.03 -2.90 0.14 0.00 -0.00 0.00 0.00 57.72 54.93 1h69 n HIS 257 Cb 0.65 -0.88 0.40 0.00 -0.00 0.00 0.00 29.99 30.16 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 3.39 0.00 -0.67 4.41 2.07 -1.48 0.30 115.15 123.17 1h69 h HIS 258 Ca 0.42 0.00 -0.17 0.00 -2.85 0.00 0.00 60.37 57.77 1h69 h HIS 258 Cb 0.37 0.00 -0.07 0.00 2.57 0.00 0.00 27.41 30.28 1h69 h HIS 258 CO 1.11 0.00 -0.15 1.28 -3.07 0.00 0.00 177.93 177.10 1h69 n LEU 259 N -2.90 -0.26 0.00 6.12 4.77 -1.26 -0.88 117.00 122.60 1h69 n LEU 259 Ca 0.03 0.21 0.00 0.00 -0.03 0.00 0.00 56.01 56.22 1h69 n LEU 259 Cb 0.42 -2.14 0.00 0.00 -2.33 0.00 0.00 43.42 39.36 1h69 n LEU 259 CO 0.30 -0.78 0.00 0.61 -1.33 0.00 0.00 177.39 176.18 1h69 n GLY 260 N 0.19 0.76 0.00 -0.72 0.00 -1.26 -5.05 105.19 99.11 1h69 n GLY 260 Ca -0.08 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.94 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 -2.42 2.16 -2.05 1.61 5.02 -0.05 -5.09 118.16 117.32 1h69 n LYS 261 Ca 0.00 0.00 -0.42 0.00 -2.02 0.00 0.00 58.31 55.87 1h69 n LYS 261 Cb 0.00 0.00 -0.03 0.00 -0.02 0.00 0.00 35.03 34.98 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 -0.78 6.71 -0.06 4.39 0.01 -1.26 -4.65 113.70 118.06 1h69 s SER 262 Ca 0.00 2.57 -0.29 0.00 1.31 0.00 0.00 55.95 59.54 1h69 s SER 262 Cb 0.00 -2.61 -0.02 0.00 0.21 0.00 0.00 66.02 63.60 1h69 s SER 262 CO 0.00 -0.69 0.95 -0.63 0.41 0.00 0.00 173.24 173.28 1h69 s ILE 263 N 0.36 4.86 0.12 1.44 1.01 -1.26 -0.93 121.20 126.79 1h69 s ILE 263 Ca 0.61 1.95 -0.35 0.00 0.00 0.00 0.00 60.65 62.86 1h69 s ILE 263 Cb -0.41 -4.27 -0.16 0.00 0.01 0.00 0.00 42.46 37.63 1h69 s ILE 263 CO 0.39 0.10 1.32 -2.65 0.00 0.00 0.00 174.94 174.10 1h69 n PRO 264 N 4.41 1.27 -1.65 2.79 -0.02 -1.26 -4.78 135.00 135.77 1h69 n PRO 264 Ca 0.06 0.46 -0.48 0.00 -2.02 0.00 0.00 63.50 61.52 1h69 n PRO 264 Cb 0.50 -2.08 -0.05 0.00 -0.02 0.00 0.00 33.50 31.86 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 2.33 0.04 -4.14 3.45 -1.04 -1.26 -2.02 114.28 111.63 1h69 n THR 265 Ca 0.17 -0.01 -0.33 0.00 -2.04 0.00 0.00 64.05 61.84 1h69 n THR 265 Cb 0.22 -1.33 -0.02 0.00 -1.82 0.00 0.00 70.33 67.38 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 3.35 -2.88 0.01 8.00 8.00 -1.26 -4.84 116.55 126.93 1h69 n ASP 266 Ca 0.18 -0.98 0.12 0.00 0.71 0.00 0.00 54.79 54.81 1h69 n ASP 266 Cb 0.26 -2.95 0.56 0.00 -0.02 0.00 0.00 41.12 38.97 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 -1.64 0.23 -0.42 -2.24 -1.24 -1.66 0.12 115.58 108.72 1h69 h ASN 267 Ca -0.60 0.00 0.00 0.00 0.71 0.00 0.00 56.30 56.41 1h69 h ASN 267 Cb 1.38 -0.05 0.00 0.00 0.73 0.00 0.00 38.32 40.39 1h69 h ASN 267 CO 0.74 0.14 0.00 0.00 -1.29 0.00 0.00 177.43 177.02 1h69 n GLN 268 N -4.46 2.44 0.00 6.67 1.13 -1.26 -4.29 117.38 117.61 1h69 n GLN 268 Ca 0.06 -2.20 0.00 0.00 -1.94 0.00 0.00 57.00 52.92 1h69 n GLN 268 Cb 0.33 -1.43 0.00 0.00 0.11 0.00 0.00 30.24 29.25 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 1.19 0.00 -5.08 5.09 5.41 -0.73 -4.56 119.36 120.67 1h69 n ILE 269 Ca 0.17 0.00 -0.30 0.00 1.00 0.00 0.00 62.75 63.62 1h69 n ILE 269 Cb 0.53 -0.66 -0.17 0.00 -0.71 0.00 0.00 39.64 38.64 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 -1.93 2.52 1.03 0.38 -0.14 0.34 -4.18 119.74 117.76 1h69 s LYS 270 Ca 0.00 -0.78 -0.17 0.00 -1.36 0.00 0.00 55.97 53.67 1h69 s LYS 270 Cb 0.00 -2.01 0.22 0.00 -1.68 0.00 0.00 37.83 34.35 1h69 s LYS 270 CO 0.00 0.22 1.25 0.00 -0.76 0.00 0.00 175.35 176.06 1h69 s ALA 271 N 0.20 1.75 0.00 5.17 0.00 -1.26 -4.60 121.76 123.02 1h69 s ALA 271 Ca -0.12 -1.08 0.00 0.00 0.00 0.00 0.00 51.96 50.77 1h69 s ALA 271 Cb -0.16 -2.83 0.00 0.00 0.00 0.00 0.00 23.12 20.14 1h69 s ALA 271 CO 0.06 -2.75 0.00 -2.13 0.00 0.00 0.00 175.76 170.94 1h69 n ARG 272 N -4.05 0.00 0.00 0.00 0.63 -1.26 -5.03 116.66 106.95 1h69 n ARG 272 Ca 0.14 0.46 0.00 0.00 -0.92 0.00 0.00 57.85 57.52 1h69 n ARG 272 Cb 0.59 -1.09 0.00 0.00 0.45 0.00 0.00 32.46 32.42 1h69 n ARG 272 CO 0.00 0.00 0.00 1.17 -2.51 0.00 0.00 177.63 176.29